#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2zki s SER 2 N 0.00 -0.40 0.05 6.12 0.01 -1.26 -5.15 113.70 113.07 2zki s SER 2 Ca 0.00 0.76 -0.14 0.00 1.31 0.00 0.00 55.95 57.88 2zki s SER 2 Cb 0.00 0.76 -0.06 0.00 0.21 0.00 0.00 66.02 66.93 2zki s SER 2 CO 0.00 -0.14 0.44 0.00 0.41 0.00 0.00 173.24 173.96 2zki s LYS 4 N -1.39 2.92 0.45 0.00 2.20 -1.26 -5.00 119.74 117.65 2zki s LYS 4 Ca 0.28 -0.96 -0.21 0.00 -0.36 0.00 0.00 55.97 54.72 2zki s LYS 4 Cb -0.16 -3.31 -0.09 0.00 -1.51 0.00 0.00 37.83 32.75 2zki s LYS 4 CO 0.16 -0.49 1.01 -1.25 -0.36 0.00 0.00 175.35 174.42 2zki s PRO 5 N 1.44 4.03 -0.19 4.03 0.04 -1.26 -4.80 135.00 138.29 2zki s PRO 5 Ca 0.01 1.31 -0.15 0.00 0.04 0.00 0.00 61.00 62.21 2zki s PRO 5 Cb -0.18 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 32.09 2zki s PRO 5 CO 0.01 -0.22 0.36 -0.80 0.04 0.00 0.00 177.00 176.39 2zki s ASN 6 N -1.95 6.42 -0.16 6.66 0.01 -1.26 -2.05 114.94 122.61 2zki s ASN 6 Ca 0.63 0.49 0.01 0.00 -0.71 0.00 0.00 52.86 53.29 2zki s ASN 6 Cb -0.15 -2.21 0.02 0.00 0.41 0.00 0.00 41.25 39.31 2zki s ASN 6 CO 0.19 -0.02 -0.18 -0.63 -1.51 0.00 0.00 177.10 174.95 2zki s ILE 7 N 1.06 1.85 -0.21 0.60 1.01 -0.38 0.90 121.20 126.02 2zki s ILE 7 Ca 0.18 -0.81 -0.15 0.00 0.00 0.00 0.00 60.65 59.86 2zki s ILE 7 Cb -0.14 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 2zki s ILE 7 CO 0.07 0.51 0.38 -0.22 0.00 0.00 0.00 174.94 175.67 2zki s LEU 8 N 1.28 4.14 -0.52 2.97 2.96 -1.00 -1.83 118.68 126.69 2zki s LEU 8 Ca 0.03 0.46 -0.15 0.00 -0.22 0.00 0.00 54.13 54.25 2zki s LEU 8 Cb -0.13 -2.47 0.12 0.00 0.50 0.00 0.00 46.19 44.20 2zki s LEU 8 CO -0.10 -0.08 0.46 -0.69 -1.32 0.00 0.00 176.35 174.62 2zki s VAL 9 N 1.37 5.06 -0.16 1.68 1.01 -0.32 -1.44 120.40 127.60 2zki s VAL 9 Ca 0.18 -1.48 -0.06 0.00 0.00 0.00 0.00 61.98 60.62 2zki s VAL 9 Cb -0.15 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 2zki s VAL 9 CO 0.08 -0.82 0.03 -0.22 0.00 0.00 0.00 175.10 174.17 2zki s LEU 10 N 1.57 3.63 0.01 3.92 2.96 0.07 -1.11 118.68 129.73 2zki s LEU 10 Ca 0.03 0.03 -0.15 0.00 -0.22 0.00 0.00 54.13 53.82 2zki s LEU 10 Cb -0.29 -1.89 0.02 0.00 0.50 0.00 0.00 46.19 44.53 2zki s LEU 10 CO 0.03 0.20 0.32 0.72 -1.32 0.00 0.00 176.35 176.30 2zki s PHE 11 N 0.21 -0.17 -0.01 5.38 -0.71 -1.03 -0.24 117.98 121.42 2zki s PHE 11 Ca 0.02 0.17 -0.02 0.00 -1.04 0.00 0.00 56.93 56.06 2zki s PHE 11 Cb -0.13 0.11 -0.04 0.00 -1.21 0.00 0.00 43.02 41.76 2zki s PHE 11 CO 0.01 -0.45 0.13 -0.47 -1.34 0.00 0.00 175.22 173.10 2zki s TYR 12 N -1.88 3.42 0.00 3.49 5.04 -1.05 -2.47 117.35 123.91 2zki s TYR 12 Ca -0.10 0.28 0.00 0.00 -2.44 0.00 0.00 57.07 54.82 2zki s TYR 12 Cb -0.03 -1.78 0.00 0.00 0.35 0.00 0.00 41.96 40.50 2zki s TYR 12 CO 0.01 0.60 0.00 0.41 -1.34 0.00 0.00 175.55 175.23 2zki n GLY 13 N 1.05 2.66 0.00 8.97 0.00 -1.26 -3.99 105.19 112.61 2zki n GLY 13 Ca -0.12 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.90 2zki n GLY 13 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2zki n TYR 14 N -1.40 0.00 0.00 1.61 4.01 -1.26 -4.80 117.16 115.32 2zki n TYR 14 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2zki n TYR 14 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 2zki n TYR 14 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2zki n GLY 15 N 0.00 0.60 0.23 2.72 0.00 -1.26 -4.87 105.19 102.61 2zki n GLY 15 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 2zki n GLY 15 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2zki h SER 16 N 0.00 0.00 -0.53 1.61 4.64 -1.78 -3.07 113.55 114.43 2zki h SER 16 Ca 0.00 0.00 0.12 0.00 -0.47 0.00 0.00 61.79 61.44 2zki h SER 16 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 2zki h SER 16 CO 0.00 0.20 0.37 -0.29 -0.87 0.00 0.00 176.83 176.24 2zki h ILE 17 N 0.00 0.81 -0.19 0.95 6.09 -1.92 -1.28 117.51 121.97 2zki h ILE 17 Ca -0.00 -0.05 -0.06 0.00 -1.37 0.00 0.00 64.86 63.38 2zki h ILE 17 Cb 0.63 0.64 -0.00 0.00 0.47 0.00 0.00 36.82 38.56 2zki h ILE 17 CO 0.03 0.03 -0.10 0.58 -3.07 0.00 0.00 178.15 175.61 2zki h VAL 18 N 0.16 1.31 -0.79 2.19 2.07 -1.84 -1.62 116.25 117.72 2zki h VAL 18 Ca 0.25 -1.17 -0.00 0.00 0.82 0.00 0.00 66.70 66.60 2zki h VAL 18 Cb 0.78 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 32.18 2zki h VAL 18 CO -0.04 0.35 0.49 -0.08 0.02 0.00 0.00 177.57 178.32 2zki h GLU 19 N 0.09 1.07 -0.62 1.57 4.22 -1.43 -1.34 114.58 118.15 2zki h GLU 19 Ca 0.04 -0.09 -0.04 0.00 0.08 0.00 0.00 59.36 59.35 2zki h GLU 19 Cb 0.59 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 2zki h GLU 19 CO 0.03 0.75 0.22 -0.07 -2.18 0.00 0.00 179.01 177.75 2zki h LEU 20 N 1.09 0.84 -0.65 1.64 3.38 -1.24 -1.92 115.31 118.46 2zki h LEU 20 Ca 0.29 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 2zki h LEU 20 Cb -0.06 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 2zki h LEU 20 CO -0.06 0.78 -0.17 0.00 0.09 0.00 0.00 178.44 179.08 2zki h ALA 21 N 1.34 0.84 -0.56 1.53 0.00 -0.62 -1.40 119.26 120.40 2zki h ALA 21 Ca 0.21 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 2zki h ALA 21 Cb 0.22 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2zki h ALA 21 CO -0.01 0.64 -0.05 0.87 0.00 0.00 0.00 179.25 180.70 2zki h LYS 22 N 0.77 1.01 -0.13 0.00 1.57 -1.09 -2.54 116.57 116.16 2zki h LYS 22 Ca 0.11 -0.34 -0.14 0.00 -1.87 0.00 0.00 60.65 58.42 2zki h LYS 22 Cb 0.70 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 2zki h LYS 22 CO 0.05 1.02 -0.53 0.93 -0.57 0.00 0.00 179.45 180.36 2zki h GLU 23 N 0.91 0.36 -0.19 3.15 4.39 -1.17 -2.12 114.58 119.91 2zki h GLU 23 Ca 0.15 -0.22 -0.04 0.00 0.34 0.00 0.00 59.36 59.60 2zki h GLU 23 Cb 0.60 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 2zki h GLU 23 CO 0.04 0.80 -0.04 0.82 -1.16 0.00 0.00 179.01 179.47 2zki h ILE 24 N 0.28 1.28 -0.76 3.13 2.04 -1.22 -2.47 117.51 119.79 2zki h ILE 24 Ca 0.01 -0.99 0.05 0.00 1.00 0.00 0.00 64.86 64.93 2zki h ILE 24 Cb 1.02 1.55 -0.05 0.00 -0.74 0.00 0.00 36.82 38.60 2zki h ILE 24 CO 0.09 0.30 0.47 1.23 0.00 0.00 0.00 178.15 180.23 2zki h GLY 25 N 0.08 1.12 1.01 5.37 0.00 -1.41 -0.51 103.07 108.73 2zki h GLY 25 Ca 0.05 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.01 2zki h GLY 25 CO 0.02 0.25 0.29 1.70 0.00 0.00 0.00 176.54 178.80 2zki h LYS 26 N 0.88 0.96 -0.82 4.80 3.64 -1.38 -0.52 116.57 124.13 2zki h LYS 26 Ca 0.32 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.52 2zki h LYS 26 Cb 0.11 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.72 2zki h LYS 26 CO -0.15 0.79 0.41 0.78 -2.27 0.00 0.00 179.45 179.01 2zki h GLY 27 N 0.92 1.26 1.78 5.01 0.00 -0.93 -1.48 103.07 109.63 2zki h GLY 27 Ca 0.22 -0.61 -0.12 0.00 0.00 0.00 0.00 47.33 46.82 2zki h GLY 27 CO -0.02 0.58 -0.50 0.00 0.00 0.00 0.00 176.54 176.60 2zki h ALA 28 N 1.28 0.99 -0.42 3.60 0.00 -0.78 -2.75 119.26 121.18 2zki h ALA 28 Ca 0.29 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 54.59 2zki h ALA 28 Cb 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2zki h ALA 28 CO -0.04 0.65 -0.24 0.93 0.00 0.00 0.00 179.25 180.55 2zki h GLU 29 N 0.19 0.91 0.00 0.00 5.08 -0.76 -2.47 114.58 117.52 2zki h GLU 29 Ca 0.01 -0.41 -0.03 0.00 -1.00 0.00 0.00 59.36 57.93 2zki h GLU 29 Cb 0.95 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.18 2zki h GLU 29 CO 0.08 1.07 -0.12 0.93 -1.00 0.00 0.00 179.01 179.96 2zki h GLU 30 N 0.73 0.00 -0.00 2.33 5.08 -1.21 -0.14 114.58 121.37 2zki h GLU 30 Ca 0.09 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2zki h GLU 30 Cb 0.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.07 2zki h GLU 30 CO 0.07 0.12 -0.13 0.00 -1.00 0.00 0.00 179.01 178.07 2zki n ALA 31 N -2.43 2.75 -0.85 3.43 0.00 -1.05 -4.97 120.51 117.40 2zki n ALA 31 Ca -0.02 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.19 2zki n ALA 31 Cb 0.20 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.30 2zki n ALA 31 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2zki n GLY 32 N 1.36 0.34 3.00 0.00 0.00 -0.06 -4.97 105.19 104.87 2zki n GLY 32 Ca 0.11 -0.45 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 2zki n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2zki s ALA 33 N -2.57 -0.03 -0.36 4.61 0.00 -1.06 -4.43 121.76 117.92 2zki s ALA 33 Ca 0.00 -0.36 -0.29 0.00 0.00 0.00 0.00 51.96 51.32 2zki s ALA 33 Cb 0.00 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.24 2zki s ALA 33 CO 0.00 -0.15 1.09 -1.21 0.00 0.00 0.00 175.76 175.49 2zki s GLU 34 N -1.19 3.97 -0.09 0.00 0.41 -0.87 -4.44 118.70 116.49 2zki s GLU 34 Ca -0.13 0.93 -0.01 0.00 -0.41 0.00 0.00 54.97 55.35 2zki s GLU 34 Cb -0.08 -3.78 -0.03 0.00 -1.78 0.00 0.00 34.13 28.46 2zki s GLU 34 CO -0.00 -1.03 -0.06 0.08 -0.49 0.00 0.00 175.26 173.76 2zki s VAL 35 N 3.86 3.80 -0.14 2.63 1.01 -1.26 -1.25 120.40 129.04 2zki s VAL 35 Ca 0.46 -0.43 -0.00 0.00 0.00 0.00 0.00 61.98 62.01 2zki s VAL 35 Cb -0.11 -2.59 0.03 0.00 0.00 0.00 0.00 36.38 33.72 2zki s VAL 35 CO 0.20 0.57 -0.07 -0.54 0.00 0.00 0.00 175.10 175.26 2zki s LYS 36 N -0.50 1.53 -0.31 2.72 1.02 -0.76 -4.99 119.74 118.44 2zki s LYS 36 Ca 0.08 -0.39 -0.13 0.00 0.02 0.00 0.00 55.97 55.54 2zki s LYS 36 Cb -0.12 -1.81 -0.03 0.00 -0.52 0.00 0.00 37.83 35.35 2zki s LYS 36 CO 0.02 -0.34 0.27 0.42 -0.92 0.00 0.00 175.35 174.80 2zki s ILE 37 N 1.66 5.25 0.13 2.17 1.01 -1.26 -1.18 121.20 128.98 2zki s ILE 37 Ca 0.03 0.06 0.05 0.00 0.00 0.00 0.00 60.65 60.79 2zki s ILE 37 Cb -0.14 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.61 2zki s ILE 37 CO -0.08 0.07 -0.11 -0.13 0.00 0.00 0.00 174.94 174.68 2zki s ARG 38 N 1.85 0.99 0.37 2.79 1.81 -0.27 -4.53 118.95 121.96 2zki s ARG 38 Ca 0.09 -1.31 0.08 0.00 -1.72 0.00 0.00 55.73 52.88 2zki s ARG 38 Cb -0.17 -0.67 -0.07 0.00 -0.45 0.00 0.00 34.95 33.59 2zki s ARG 38 CO 0.11 0.10 -0.04 -0.98 -0.68 0.00 0.00 175.30 173.81 2zki s ARG 39 N -3.17 1.90 0.29 3.54 1.70 -1.02 -2.45 118.95 119.74 2zki s ARG 39 Ca 0.11 -1.99 0.02 0.00 -0.47 0.00 0.00 55.73 53.41 2zki s ARG 39 Cb -0.01 -1.70 -0.03 0.00 -0.57 0.00 0.00 34.95 32.63 2zki s ARG 39 CO 0.01 0.06 0.45 0.14 -1.08 0.00 0.00 175.30 174.89 2zki s VAL 40 N -2.64 5.18 0.41 4.99 -7.23 -1.03 0.12 120.40 120.21 2zki s VAL 40 Ca 0.34 -0.69 -0.25 0.00 -1.81 0.00 0.00 61.98 59.57 2zki s VAL 40 Cb 0.05 -3.85 -0.08 0.00 0.56 0.00 0.00 36.38 33.06 2zki s VAL 40 CO 0.17 -0.43 1.21 0.00 -0.31 0.00 0.00 175.10 175.75 2zki s ARG 41 N -4.09 3.98 0.29 4.82 1.04 -1.26 -4.92 118.95 118.80 2zki s ARG 41 Ca 0.37 1.93 -0.29 0.00 -1.04 0.00 0.00 55.73 56.70 2zki s ARG 41 Cb -0.09 -2.66 -0.10 0.00 -2.04 0.00 0.00 34.95 30.05 2zki s ARG 41 CO 0.32 -0.41 1.29 -2.00 -0.04 0.00 0.00 175.30 174.46 2zki s GLU 42 N -2.33 4.39 -0.02 3.89 2.56 -1.26 -4.75 118.70 121.18 2zki s GLU 42 Ca 0.58 2.14 0.04 0.00 0.00 0.00 0.00 54.97 57.73 2zki s GLU 42 Cb -0.33 -3.11 -0.06 0.00 2.00 0.00 0.00 34.13 32.62 2zki s GLU 42 CO 0.41 -0.17 0.07 -2.37 -0.56 0.00 0.00 175.26 172.65 2zki n THR 43 N 1.35 0.08 -1.25 -1.70 5.66 -1.26 -5.05 114.28 112.12 2zki n THR 43 Ca 0.02 -0.12 -0.33 0.00 -3.05 0.00 0.00 64.05 60.56 2zki n THR 43 Cb 0.42 0.03 0.11 0.00 -1.55 0.00 0.00 70.33 69.34 2zki n THR 43 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2zki s LEU 44 N -3.59 3.17 0.58 1.09 1.43 -1.26 -4.99 118.68 115.10 2zki s LEU 44 Ca -0.02 2.23 -0.21 0.00 -1.03 0.00 0.00 54.13 55.11 2zki s LEU 44 Cb 0.02 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.63 2zki s LEU 44 CO 0.18 -2.42 1.34 -2.84 0.23 0.00 0.00 176.35 172.84 2zki s PRO 45 N -4.22 2.96 0.52 1.29 0.02 -1.26 -4.91 135.00 129.41 2zki s PRO 45 Ca 0.70 2.18 0.26 0.00 0.02 0.00 0.00 61.00 64.17 2zki s PRO 45 Cb -0.26 -2.13 1.39 0.00 0.02 0.00 0.00 34.50 33.53 2zki s PRO 45 CO 0.49 -1.31 1.96 -1.35 -0.33 0.00 0.00 177.00 176.46 2zki h PRO 46 N 1.18 0.03 0.00 5.54 0.11 -1.98 -1.44 132.00 135.45 2zki h PRO 46 Ca -0.51 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2zki h PRO 46 Cb 1.31 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.41 2zki h PRO 46 CO 0.56 0.02 0.00 1.05 -0.21 0.00 0.00 178.00 179.42 2zki h GLU 47 N 0.04 0.00 -0.01 1.05 9.09 -2.04 -2.51 114.58 120.19 2zki h GLU 47 Ca 0.31 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.72 2zki h GLU 47 Cb 1.21 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.31 2zki h GLU 47 CO -0.01 0.00 -0.51 1.19 0.05 0.00 0.00 179.01 179.73 2zki n PHE 48 N -3.04 0.00 -0.13 2.06 3.01 -0.54 -4.24 117.46 114.58 2zki n PHE 48 Ca 0.01 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.37 2zki n PHE 48 Cb 0.29 -0.07 0.12 0.00 -0.01 0.00 0.00 39.48 39.81 2zki n PHE 48 CO 0.00 0.00 0.00 1.04 1.01 0.00 0.00 176.76 178.81 2zki n GLN 49 N -0.65 1.93 0.03 -1.08 6.02 -0.95 -4.56 117.38 118.13 2zki n GLN 49 Ca 0.09 -1.59 -0.03 0.00 -0.01 0.00 0.00 57.00 55.46 2zki n GLN 49 Cb 0.39 -1.67 -0.01 0.00 1.02 0.00 0.00 30.24 29.97 2zki n GLN 49 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2zki h SER 50 N 0.83 -0.15 1.06 1.08 0.87 -1.74 -3.34 113.55 112.17 2zki h SER 50 Ca 0.27 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 2zki h SER 50 Cb 1.84 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.84 2zki h SER 50 CO 0.52 0.25 0.00 0.54 -0.53 0.00 0.00 176.83 177.61 2zki n ARG 51 N -4.49 0.15 -1.76 2.24 3.00 -1.26 -4.81 116.66 109.72 2zki n ARG 51 Ca -0.02 0.21 -0.42 0.00 -0.01 0.00 0.00 57.85 57.61 2zki n ARG 51 Cb 0.07 -1.71 -0.03 0.00 0.00 0.00 0.00 32.46 30.80 2zki n ARG 51 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2zki s ILE 52 N -3.11 2.95 -0.63 0.55 1.01 -1.26 -4.97 121.20 115.74 2zki s ILE 52 Ca 0.10 0.19 -0.20 0.00 0.00 0.00 0.00 60.65 60.73 2zki s ILE 52 Cb 0.13 -3.12 0.09 0.00 0.01 0.00 0.00 42.46 39.57 2zki s ILE 52 CO 0.49 -0.01 0.82 -2.16 0.00 0.00 0.00 174.94 174.08 2zki s PRO 53 N 3.63 3.09 0.36 2.79 0.04 -1.26 -4.89 135.00 138.77 2zki s PRO 53 Ca 0.82 -1.17 0.27 0.00 0.04 0.00 0.00 61.00 60.97 2zki s PRO 53 Cb -0.42 -4.28 0.97 0.00 0.04 0.00 0.00 34.50 30.82 2zki s PRO 53 CO 0.37 -1.65 1.79 0.74 0.04 0.00 0.00 177.00 178.29 2zki h PHE 54 N 9.31 0.00 -0.08 0.56 0.04 -1.96 -3.19 116.94 121.61 2zki h PHE 54 Ca -0.27 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.42 2zki h PHE 54 Cb 1.08 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.22 2zki h PHE 54 CO 0.90 0.00 -0.29 0.38 -0.60 0.00 0.00 178.31 178.70 2zki h ASP 55 N 0.00 0.15 0.80 2.17 3.04 -2.00 -2.93 116.42 117.65 2zki h ASP 55 Ca 0.00 -0.05 -0.01 0.00 -3.24 0.00 0.00 57.03 53.74 2zki h ASP 55 Cb 0.57 -0.04 -0.00 0.00 -1.04 0.00 0.00 39.33 38.82 2zki h ASP 55 CO 0.00 0.44 -0.03 0.11 -2.04 0.00 0.00 179.24 177.72 2zki h LYS 56 N 0.14 0.00 -0.16 4.15 1.79 -1.91 -3.09 116.57 117.49 2zki h LYS 56 Ca 0.02 0.00 -0.03 0.00 -2.18 0.00 0.00 60.65 58.46 2zki h LYS 56 Cb 0.59 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.22 2zki h LYS 56 CO 0.04 0.03 -0.05 1.33 -1.08 0.00 0.00 179.45 179.73 2zki n VAL 57 N -3.16 2.18 0.22 0.50 0.24 -1.11 -4.66 118.33 112.54 2zki n VAL 57 Ca -0.00 -2.25 0.09 0.00 -2.04 0.00 0.00 64.34 60.14 2zki n VAL 57 Cb 0.28 -0.26 0.48 0.00 -1.47 0.00 0.00 33.84 32.86 2zki n VAL 57 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 2zki h LYS 58 N 0.98 0.00 0.00 7.34 2.10 -1.55 -2.58 116.57 122.86 2zki h LYS 58 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 2zki h LYS 58 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 2zki h LYS 58 CO 0.15 0.26 0.00 -0.44 -2.00 0.00 0.00 179.45 177.42 2zki h ASP 59 N 0.00 0.00 -3.58 7.07 3.32 -1.84 -3.42 116.42 117.96 2zki h ASP 59 Ca -0.00 0.00 -0.70 0.00 0.02 0.00 0.00 57.03 56.34 2zki h ASP 59 Cb 0.69 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.01 2zki h ASP 59 CO 0.03 0.00 -0.48 -0.63 -1.72 0.00 0.00 179.24 176.44 2zki s ILE 60 N -3.19 4.94 0.51 0.35 -1.09 -0.97 -5.08 121.20 116.66 2zki s ILE 60 Ca 0.08 -0.64 -0.20 0.00 -2.23 0.00 0.00 60.65 57.66 2zki s ILE 60 Cb 0.08 -3.69 -0.07 0.00 -1.58 0.00 0.00 42.46 37.20 2zki s ILE 60 CO 0.63 -0.20 1.06 -2.84 -1.23 0.00 0.00 174.94 172.36 2zki s PRO 61 N 1.63 3.63 0.53 2.79 0.02 -1.26 -4.73 135.00 137.61 2zki s PRO 61 Ca 0.04 1.41 -0.20 0.00 0.02 0.00 0.00 61.00 62.27 2zki s PRO 61 Cb -0.19 -2.06 -0.06 0.00 0.02 0.00 0.00 34.50 32.21 2zki s PRO 61 CO 0.08 -0.58 1.14 -1.83 -0.33 0.00 0.00 177.00 175.48 2zki s GLU 62 N -3.33 3.41 0.43 5.54 -1.05 -1.26 -2.44 118.70 120.00 2zki s GLU 62 Ca 0.68 1.66 -0.23 0.00 -0.15 0.00 0.00 54.97 56.94 2zki s GLU 62 Cb -0.18 -2.08 -0.09 0.00 -0.44 0.00 0.00 34.13 31.34 2zki s GLU 62 CO 0.23 -0.82 1.06 0.54 0.95 0.00 0.00 175.26 177.22 2zki s VAL 63 N -1.71 3.69 0.30 1.83 0.11 0.33 -4.75 120.40 120.21 2zki s VAL 63 Ca 0.71 1.22 0.09 0.00 -2.93 0.00 0.00 61.98 61.07 2zki s VAL 63 Cb -0.25 -3.59 -0.04 0.00 -1.53 0.00 0.00 36.38 30.96 2zki s VAL 63 CO 0.29 -0.07 0.10 0.42 -3.33 0.00 0.00 175.10 172.51 2zki s THR 64 N -1.74 3.37 0.42 5.04 -4.23 -1.26 -4.93 115.64 112.30 2zki s THR 64 Ca 0.61 -1.73 0.13 0.00 -1.18 0.00 0.00 61.69 59.51 2zki s THR 64 Cb -0.21 -2.99 0.16 0.00 1.34 0.00 0.00 72.50 70.80 2zki s THR 64 CO 0.26 -0.27 1.94 -0.07 -0.54 0.00 0.00 174.62 175.93 2zki h LEU 65 N 1.66 0.06 -1.26 4.79 3.38 -2.00 -2.54 115.31 119.39 2zki h LEU 65 Ca -0.44 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 2zki h LEU 65 Cb 1.25 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.98 2zki h LEU 65 CO 0.62 0.28 -0.04 -0.78 0.09 0.00 0.00 178.44 178.60 2zki h ASP 66 N 0.06 0.00 0.29 -0.43 3.58 -2.00 -2.35 116.42 115.57 2zki h ASP 66 Ca 0.01 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 2zki h ASP 66 Cb 0.41 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.45 2zki h ASP 66 CO 0.03 0.04 -0.07 0.44 -2.88 0.00 0.00 179.24 176.80 2zki h ASP 67 N 0.00 0.00 0.70 2.28 3.45 -1.86 -0.74 116.42 120.24 2zki h ASP 67 Ca -0.00 0.00 -0.20 0.00 0.43 0.00 0.00 57.03 57.26 2zki h ASP 67 Cb 0.60 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.35 2zki h ASP 67 CO 0.01 0.07 -0.90 0.24 -1.57 0.00 0.00 179.24 177.08 2zki h MET 68 N 0.00 0.12 0.00 3.56 2.86 -1.56 -2.83 114.93 117.08 2zki h MET 68 Ca -0.00 -0.15 -0.22 0.00 -2.06 0.00 0.00 59.70 57.28 2zki h MET 68 Cb 0.23 0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.90 2zki h MET 68 CO 0.01 0.93 -1.07 0.00 1.06 0.00 0.00 176.91 177.85 2zki h ARG 69 N 0.06 0.00 -0.64 1.72 3.08 -1.48 -3.30 114.38 113.82 2zki h ARG 69 Ca -0.04 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.92 2zki h ARG 69 Cb 1.55 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 31.57 2zki h ARG 69 CO 0.13 0.95 0.04 2.35 -1.07 0.00 0.00 179.97 182.37 2zki h TRP 70 N 0.00 1.19 -3.81 3.04 7.01 -1.19 -3.45 115.95 118.74 2zki h TRP 70 Ca -0.04 -0.19 -0.51 0.00 2.11 0.00 0.00 58.89 60.26 2zki h TRP 70 Cb 1.79 -0.32 0.02 0.00 -2.10 0.00 0.00 29.16 28.56 2zki h TRP 70 CO 0.00 1.02 0.49 0.00 -2.79 0.00 0.00 178.44 177.17 2zki s ALA 71 N -5.09 3.42 -0.10 2.65 0.00 -1.07 -4.72 121.76 116.85 2zki s ALA 71 Ca -0.12 0.94 0.20 0.00 0.00 0.00 0.00 51.96 52.98 2zki s ALA 71 Cb 0.14 -3.34 -0.27 0.00 0.00 0.00 0.00 23.12 19.64 2zki s ALA 71 CO 0.86 -0.21 0.42 -0.25 0.00 0.00 0.00 175.76 176.57 2zki n ASP 72 N 1.16 0.13 -4.18 0.00 8.00 0.26 -4.95 116.55 116.97 2zki n ASP 72 Ca -0.01 0.06 -0.12 0.00 0.71 0.00 0.00 54.79 55.43 2zki n ASP 72 Cb 0.44 1.42 -0.10 0.00 -0.02 0.00 0.00 41.12 42.86 2zki n ASP 72 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2zki s GLY 73 N -4.84 0.82 0.02 0.44 0.00 -0.12 -4.01 107.32 99.62 2zki s GLY 73 Ca -0.08 -1.31 0.03 0.00 0.00 0.00 0.00 44.72 43.36 2zki s GLY 73 CO 0.87 -1.41 -0.10 -1.36 0.00 0.00 0.00 173.10 171.10 2zki s PHE 74 N -3.23 0.90 -0.34 1.90 0.08 -0.63 -2.36 117.98 114.30 2zki s PHE 74 Ca 0.10 -0.28 -0.00 0.00 0.12 0.00 0.00 56.93 56.88 2zki s PHE 74 Cb 0.02 -0.55 0.11 0.00 -0.57 0.00 0.00 43.02 42.03 2zki s PHE 74 CO -0.03 -0.01 0.13 0.00 -0.10 0.00 0.00 175.22 175.22 2zki s ALA 75 N -0.62 1.65 -0.25 5.36 0.00 -0.52 -1.16 121.76 126.22 2zki s ALA 75 Ca 0.00 -1.89 -0.12 0.00 0.00 0.00 0.00 51.96 49.96 2zki s ALA 75 Cb -0.06 -1.68 -0.05 0.00 0.00 0.00 0.00 23.12 21.33 2zki s ALA 75 CO 0.00 -1.78 0.21 0.42 0.00 0.00 0.00 175.76 174.62 2zki s ILE 76 N 1.31 5.32 0.18 0.00 1.01 -0.69 -0.75 121.20 127.58 2zki s ILE 76 Ca 0.12 0.27 0.02 0.00 0.00 0.00 0.00 60.65 61.06 2zki s ILE 76 Cb -0.19 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 38.68 2zki s ILE 76 CO -0.18 0.30 0.02 -0.83 0.00 0.00 0.00 174.94 174.24 2zki s GLY 77 N 1.24 1.26 -0.29 6.18 0.00 0.67 -2.41 107.32 113.97 2zki s GLY 77 Ca 0.09 -1.61 -0.26 0.00 0.00 0.00 0.00 44.72 42.94 2zki s GLY 77 CO 0.07 -1.52 1.39 -0.45 0.00 0.00 0.00 173.10 172.58 2zki s SER 78 N -3.18 -0.08 0.45 1.64 0.15 -1.00 -2.52 113.70 109.16 2zki s SER 78 Ca 0.25 0.14 -0.24 0.00 0.70 0.00 0.00 55.95 56.81 2zki s SER 78 Cb 0.06 0.14 -0.07 0.00 -1.71 0.00 0.00 66.02 64.44 2zki s SER 78 CO 0.05 -0.04 1.22 -2.16 1.20 0.00 0.00 173.24 173.51 2zki s PRO 79 N -0.23 3.77 0.23 5.44 0.04 -1.26 -3.86 135.00 139.13 2zki s PRO 79 Ca 0.07 1.92 -0.30 0.00 0.04 0.00 0.00 61.00 62.73 2zki s PRO 79 Cb -0.04 -2.51 -0.10 0.00 0.04 0.00 0.00 34.50 31.89 2zki s PRO 79 CO -0.13 -0.58 1.48 -0.08 0.04 0.00 0.00 177.00 177.73 2zki s THR 80 N -1.43 2.64 -0.78 1.26 -1.32 -0.76 -4.17 115.64 111.08 2zki s THR 80 Ca 0.62 0.51 0.02 0.00 -1.21 0.00 0.00 61.69 61.64 2zki s THR 80 Cb -0.32 -3.33 0.19 0.00 -1.51 0.00 0.00 72.50 67.53 2zki s THR 80 CO 0.40 0.07 0.62 0.54 -2.21 0.00 0.00 174.62 174.04 2zki n ARG 81 N 2.80 2.18 -3.39 7.08 5.12 0.10 -4.83 116.66 125.72 2zki n ARG 81 Ca 0.09 -4.50 -0.18 0.00 -1.93 0.00 0.00 57.85 51.34 2zki n ARG 81 Cb 0.40 -2.34 0.08 0.00 -1.16 0.00 0.00 32.46 29.44 2zki n ARG 81 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2zki n TYR 82 N 2.05 -2.22 -0.14 -1.55 4.02 -1.26 -2.97 117.16 115.09 2zki n TYR 82 Ca 0.21 0.90 0.00 0.00 -0.01 0.00 0.00 57.90 59.00 2zki n TYR 82 Cb 0.36 -4.89 0.00 0.00 -0.02 0.00 0.00 39.34 34.78 2zki n TYR 82 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2zki n GLY 83 N -1.31 1.21 3.50 2.72 0.00 -1.26 -5.03 105.19 105.02 2zki n GLY 83 Ca -0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 2zki n GLY 83 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2zki s ASN 84 N -2.96 3.12 1.08 1.61 0.02 -1.16 -3.39 114.94 113.25 2zki s ASN 84 Ca 0.00 -1.28 -0.13 0.00 -1.02 0.00 0.00 52.86 50.44 2zki s ASN 84 Cb 0.00 -0.24 0.24 0.00 0.02 0.00 0.00 41.25 41.27 2zki s ASN 84 CO 0.00 -0.40 1.06 0.00 0.02 0.00 0.00 177.10 177.78 2zki s MET 85 N -3.74 -0.24 0.59 -0.60 0.23 -1.26 0.03 119.30 114.30 2zki s MET 85 Ca 0.33 0.70 -0.14 0.00 -1.03 0.00 0.00 55.69 55.56 2zki s MET 85 Cb 0.06 -1.64 -0.05 0.00 -1.53 0.00 0.00 34.83 31.67 2zki s MET 85 CO 0.15 -3.23 1.02 0.00 -2.03 0.00 0.00 175.02 170.93 2zki s ALA 86 N -2.71 2.96 0.36 3.16 0.00 -1.26 -4.48 121.76 119.79 2zki s ALA 86 Ca 0.67 0.11 0.10 0.00 0.00 0.00 0.00 51.96 52.84 2zki s ALA 86 Cb -0.22 -3.13 0.84 0.00 0.00 0.00 0.00 23.12 20.61 2zki s ALA 86 CO 0.61 -0.63 1.86 0.78 0.00 0.00 0.00 175.76 178.37 2zki h GLY 87 N 0.18 1.22 0.58 0.00 0.00 -1.97 -1.54 103.07 101.55 2zki h GLY 87 Ca -0.45 -0.29 0.03 0.00 0.00 0.00 0.00 47.33 46.61 2zki h GLY 87 CO 0.60 0.06 -0.14 -1.33 0.00 0.00 0.00 176.54 175.73 2zki h GLY 88 N 0.66 -0.12 1.39 4.60 0.00 -1.93 0.34 103.07 108.00 2zki h GLY 88 Ca 0.47 0.17 -0.13 0.00 0.00 0.00 0.00 47.33 47.83 2zki h GLY 88 CO -0.22 -0.14 -0.33 -2.00 0.00 0.00 0.00 176.54 173.84 2zki h LEU 89 N -0.20 0.72 -0.85 3.11 5.85 -1.82 -2.92 115.31 119.19 2zki h LEU 89 Ca 0.07 -0.30 -0.06 0.00 0.84 0.00 0.00 57.88 58.43 2zki h LEU 89 Cb 0.30 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 2zki h LEU 89 CO -0.18 0.99 0.13 0.50 -0.34 0.00 0.00 178.44 179.54 2zki h LYS 90 N 0.58 0.98 -0.04 1.25 1.63 -0.74 -1.51 116.57 118.72 2zki h LYS 90 Ca 0.06 -0.23 -0.00 0.00 -0.85 0.00 0.00 60.65 59.63 2zki h LYS 90 Cb 0.85 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 32.35 2zki h LYS 90 CO 0.07 0.89 0.01 1.15 -3.45 0.00 0.00 179.45 178.12 2zki h THR 91 N 0.93 1.22 -0.63 1.00 2.02 -0.33 -2.26 112.91 114.86 2zki h THR 91 Ca 0.19 -0.66 0.06 0.00 0.77 0.00 0.00 66.41 66.78 2zki h THR 91 Cb 0.37 1.59 -0.06 0.00 -1.74 0.00 0.00 68.15 68.31 2zki h THR 91 CO 0.00 0.18 0.33 0.15 0.37 0.00 0.00 175.52 176.55 2zki h PHE 92 N -0.19 0.60 0.00 3.16 3.57 -1.38 -1.69 116.94 121.01 2zki h PHE 92 Ca 0.01 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 2zki h PHE 92 Cb 0.28 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 2zki h PHE 92 CO 0.02 0.27 -0.17 -0.07 -2.23 0.00 0.00 178.31 176.12 2zki h LEU 93 N 0.60 0.00 -1.16 0.59 3.38 -1.19 -0.97 115.31 116.57 2zki h LEU 93 Ca 0.29 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.18 2zki h LEU 93 Cb 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2zki h LEU 93 CO -0.20 0.17 -0.41 0.44 0.09 0.00 0.00 178.44 178.54 2zki h ASP 94 N 0.00 0.00 1.40 -0.43 3.45 -0.70 -3.04 116.42 117.09 2zki h ASP 94 Ca -0.00 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.44 2zki h ASP 94 Cb 0.32 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 39.09 2zki h ASP 94 CO 0.02 0.41 -0.07 0.71 -1.57 0.00 0.00 179.24 178.74 2zki h THR 95 N 0.00 0.14 0.00 0.35 1.35 -0.71 -3.21 112.91 110.83 2zki h THR 95 Ca -0.00 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 64.96 2zki h THR 95 Cb 0.76 1.79 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 2zki h THR 95 CO 0.05 0.06 0.00 0.35 -0.25 0.00 0.00 175.52 175.74 2zki n THR 96 N -3.15 0.19 -0.02 6.82 -2.24 -1.13 -3.97 114.28 110.79 2zki n THR 96 Ca 0.02 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.78 2zki n THR 96 Cb 0.43 -0.51 0.24 0.00 -2.10 0.00 0.00 70.33 68.39 2zki n THR 96 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2zki h ALA 97 N 1.82 1.22 0.00 6.98 0.00 -1.78 -2.00 119.26 125.51 2zki h ALA 97 Ca 0.00 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 2zki h ALA 97 Cb 0.48 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2zki h ALA 97 CO 0.00 0.51 -0.34 -0.84 0.00 0.00 0.00 179.25 178.58 2zki h ILE 98 N 0.52 1.15 0.00 0.00 3.07 -1.91 -2.44 117.51 117.90 2zki h ILE 98 Ca 0.10 -1.19 -0.09 0.00 1.55 0.00 0.00 64.86 65.23 2zki h ILE 98 Cb 0.47 1.66 -0.01 0.00 -0.27 0.00 0.00 36.82 38.66 2zki h ILE 98 CO 0.03 0.33 -0.45 -0.07 -1.05 0.00 0.00 178.15 176.93 2zki h LEU 99 N 0.00 0.00 -0.22 0.16 3.38 -1.72 -3.20 115.31 113.71 2zki h LEU 99 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2zki h LEU 99 Cb 0.63 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.38 2zki h LEU 99 CO 0.04 0.45 -0.31 -0.25 0.09 0.00 0.00 178.44 178.46 2zki h TRP 100 N 0.00 0.74 -0.62 1.13 7.01 -0.92 -2.94 115.95 120.36 2zki h TRP 100 Ca -0.00 -0.25 -0.00 0.00 2.11 0.00 0.00 58.89 60.75 2zki h TRP 100 Cb 1.20 -0.15 -0.03 0.00 -2.10 0.00 0.00 29.16 28.09 2zki h TRP 100 CO 0.00 0.98 0.37 0.87 -2.79 0.00 0.00 178.44 177.87 2zki h LYS 101 N 0.30 0.84 -0.00 2.65 1.57 -1.52 -2.70 116.57 117.70 2zki h LYS 101 Ca 0.02 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2zki h LYS 101 Cb 0.89 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.02 2zki h LYS 101 CO 0.07 0.59 -0.19 -0.25 -0.57 0.00 0.00 179.45 179.10 2zki n ASP 102 N -4.41 0.59 -4.04 0.86 8.00 -1.21 -4.95 116.55 111.39 2zki n ASP 102 Ca 0.06 -0.53 -0.32 0.00 0.71 0.00 0.00 54.79 54.71 2zki n ASP 102 Cb 0.07 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.17 2zki n ASP 102 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2zki n ASN 103 N -0.99 -4.05 0.07 -2.24 5.03 -1.02 -4.90 115.26 107.17 2zki n ASN 103 Ca 0.12 -0.88 -0.10 0.00 0.87 0.00 0.00 54.58 54.60 2zki n ASN 103 Cb 0.31 -3.42 -0.13 0.00 -1.02 0.00 0.00 39.78 35.52 2zki n ASN 103 CO 0.00 0.00 0.00 -0.37 -1.83 0.00 0.00 177.26 175.06 2zki h VAL 104 N -1.85 1.65 -0.01 2.41 -1.51 -1.84 -3.20 116.25 111.91 2zki h VAL 104 Ca -0.59 -3.31 0.00 0.00 -1.23 0.00 0.00 66.70 61.57 2zki h VAL 104 Cb 1.38 2.88 0.00 0.00 -2.13 0.00 0.00 31.29 33.42 2zki h VAL 104 CO 0.71 0.95 -0.03 0.18 -1.23 0.00 0.00 177.57 178.16 2zki n LEU 105 N -3.41 0.98 -4.70 4.19 4.77 -1.26 -4.91 117.00 112.66 2zki n LEU 105 Ca -0.03 -0.31 -0.42 0.00 -0.03 0.00 0.00 56.01 55.23 2zki n LEU 105 Cb 0.97 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 42.00 2zki n LEU 105 CO 0.49 0.17 1.43 -0.47 -1.33 0.00 0.00 177.39 177.68 2zki s TYR 106 N -2.08 2.38 0.00 -1.77 5.04 -1.21 -2.16 117.35 117.55 2zki s TYR 106 Ca 0.39 0.11 0.00 0.00 -2.44 0.00 0.00 57.07 55.12 2zki s TYR 106 Cb 0.21 -4.15 0.00 0.00 0.35 0.00 0.00 41.96 38.37 2zki s TYR 106 CO 0.37 -4.63 0.00 0.41 -1.34 0.00 0.00 175.55 170.36 2zki n GLY 107 N 4.14 1.29 3.76 8.97 0.00 0.16 -4.94 105.19 118.57 2zki n GLY 107 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 2zki n GLY 107 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2zki s LYS 108 N -0.06 4.64 0.42 1.61 -0.14 -0.92 -4.50 119.74 120.79 2zki s LYS 108 Ca 0.00 1.59 -0.24 0.00 -1.36 0.00 0.00 55.97 55.96 2zki s LYS 108 Cb 0.00 -3.07 -0.08 0.00 -1.68 0.00 0.00 37.83 32.99 2zki s LYS 108 CO 0.00 0.28 1.11 -2.14 -0.76 0.00 0.00 175.35 173.84 2zki s PRO 109 N -1.59 4.00 -0.05 -1.68 0.02 -1.26 -1.30 135.00 133.14 2zki s PRO 109 Ca 0.46 1.66 -0.03 0.00 0.02 0.00 0.00 61.00 63.11 2zki s PRO 109 Cb -0.27 -2.52 0.02 0.00 0.02 0.00 0.00 34.50 31.76 2zki s PRO 109 CO 0.34 -0.32 0.12 0.54 -0.33 0.00 0.00 177.00 177.35 2zki s VAL 110 N -1.57 -0.02 0.14 3.83 0.11 0.24 -1.60 120.40 121.53 2zki s VAL 110 Ca 0.60 0.07 0.11 0.00 -2.93 0.00 0.00 61.98 59.82 2zki s VAL 110 Cb -0.26 -0.19 -0.04 0.00 -1.53 0.00 0.00 36.38 34.36 2zki s VAL 110 CO 0.32 0.03 -0.25 0.28 -3.33 0.00 0.00 175.10 172.15 2zki s THR 111 N 0.48 2.17 0.05 5.04 -1.32 -0.31 0.20 115.64 121.95 2zki s THR 111 Ca -0.03 -1.79 0.09 0.00 -1.21 0.00 0.00 61.69 58.75 2zki s THR 111 Cb -0.05 -1.94 -0.03 0.00 -1.51 0.00 0.00 72.50 68.97 2zki s THR 111 CO -0.02 0.01 -0.25 -0.36 -2.21 0.00 0.00 174.62 171.79 2zki s PHE 112 N -1.24 2.15 -0.03 9.09 0.40 -1.26 -1.70 117.98 125.39 2zki s PHE 112 Ca 0.14 -0.40 -0.08 0.00 -0.60 0.00 0.00 56.93 56.00 2zki s PHE 112 Cb -0.09 -1.27 0.01 0.00 0.51 0.00 0.00 43.02 42.17 2zki s PHE 112 CO 0.06 0.14 0.17 -0.59 0.70 0.00 0.00 175.22 175.71 2zki s PHE 113 N -0.84 -0.08 0.12 0.36 -0.71 -1.01 -4.16 117.98 111.66 2zki s PHE 113 Ca 0.11 0.15 0.00 0.00 -1.04 0.00 0.00 56.93 56.15 2zki s PHE 113 Cb -0.10 0.01 -0.00 0.00 -1.21 0.00 0.00 43.02 41.72 2zki s PHE 113 CO 0.02 -0.23 0.15 -2.37 -1.34 0.00 0.00 175.22 171.46 2zki n THR 114 N 2.02 0.00 -3.55 -4.49 5.66 -1.06 -2.38 114.28 110.47 2zki n THR 114 Ca -0.19 -0.67 -0.16 0.00 -3.05 0.00 0.00 64.05 59.98 2zki n THR 114 Cb 0.57 0.39 -0.06 0.00 -1.55 0.00 0.00 70.33 69.67 2zki n THR 114 CO 0.00 0.00 0.00 -1.83 -3.05 0.00 0.00 175.07 170.19 2zki s GLU 115 N -2.32 0.96 0.04 1.09 4.04 -1.25 -3.53 118.70 117.72 2zki s GLU 115 Ca 0.11 0.41 0.00 0.00 0.04 0.00 0.00 54.97 55.53 2zki s GLU 115 Cb -0.00 0.45 -0.03 0.00 0.02 0.00 0.00 34.13 34.57 2zki s GLU 115 CO 0.08 -0.26 -0.04 0.00 -1.84 0.00 0.00 175.26 173.20 2zki s ALA 116 N -0.81 0.36 0.07 -0.84 0.00 -1.08 -1.83 121.76 117.63 2zki s ALA 116 Ca -0.07 -0.86 -0.14 0.00 0.00 0.00 0.00 51.96 50.88 2zki s ALA 116 Cb -0.01 0.18 -0.24 0.00 0.00 0.00 0.00 23.12 23.04 2zki s ALA 116 CO 0.07 -0.22 1.18 0.66 0.00 0.00 0.00 175.76 177.45 2zki h SER 117 N 4.04 0.91 -2.86 0.00 4.64 -1.84 -2.55 113.55 115.89 2zki h SER 117 Ca -0.33 -0.75 -0.46 0.00 -0.47 0.00 0.00 61.79 59.78 2zki h SER 117 Cb 1.18 -0.28 0.04 0.00 -0.31 0.00 0.00 62.40 63.03 2zki h SER 117 CO 0.51 1.55 -0.03 0.42 -0.87 0.00 0.00 176.83 178.40 2zki s THR 118 N -3.26 3.65 0.24 2.95 -4.23 -1.26 -2.77 115.64 110.97 2zki s THR 118 Ca -0.10 -0.45 -0.01 0.00 -1.18 0.00 0.00 61.69 59.96 2zki s THR 118 Cb 0.07 -3.37 0.03 0.00 1.34 0.00 0.00 72.50 70.57 2zki s THR 118 CO 0.93 -0.28 1.65 1.62 -0.54 0.00 0.00 174.62 177.99 2zki h VAL 119 N 0.23 1.28 -0.75 2.29 3.04 -1.96 -3.28 116.25 117.10 2zki h VAL 119 Ca -0.45 -1.40 -0.47 0.00 -1.01 0.00 0.00 66.70 63.37 2zki h VAL 119 Cb 1.26 1.39 -0.42 0.00 -2.01 0.00 0.00 31.29 31.52 2zki h VAL 119 CO 0.57 0.45 -0.90 1.41 -1.01 0.00 0.00 177.57 178.08 2zki n HIS 120 N -4.08 2.37 -1.61 3.17 -0.00 -1.26 -4.82 115.22 108.99 2zki n HIS 120 Ca -0.01 -2.31 -0.31 0.00 -0.00 0.00 0.00 57.72 55.10 2zki n HIS 120 Cb 0.45 -0.29 0.06 0.00 -0.00 0.00 0.00 29.99 30.21 2zki n HIS 120 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2zki n GLY 121 N -0.63 6.09 0.00 -1.41 0.00 -1.24 -4.80 105.19 103.21 2zki n GLY 121 Ca 0.33 -2.45 0.00 0.00 0.00 0.00 0.00 46.02 43.89 2zki n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2zki n GLY 122 N -0.84 1.85 0.19 -0.02 0.00 -1.26 -4.69 105.19 100.42 2zki n GLY 122 Ca 0.55 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.65 2zki n GLY 122 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2zki h HIS 123 N 0.00 0.00 0.00 1.61 -0.00 -1.87 -3.30 115.15 111.58 2zki h HIS 123 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 60.37 60.22 2zki h HIS 123 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.39 2zki h HIS 123 CO 0.00 0.30 -1.42 0.39 -0.00 0.00 0.00 177.93 177.20 2zki n GLU 124 N -3.25 0.22 -0.21 2.45 1.02 -1.26 -4.69 120.64 114.93 2zki n GLU 124 Ca 0.02 0.10 -0.00 0.00 -0.02 0.00 0.00 57.16 57.25 2zki n GLU 124 Cb 0.58 -0.87 0.23 0.00 -0.02 0.00 0.00 31.44 31.36 2zki n GLU 124 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2zki h THR 125 N -0.38 1.20 -0.86 2.62 1.35 -1.90 -2.57 112.91 112.37 2zki h THR 125 Ca -0.23 -0.42 -0.01 0.00 -0.55 0.00 0.00 66.41 65.20 2zki h THR 125 Cb 1.11 0.15 -0.04 0.00 -1.73 0.00 0.00 68.15 67.64 2zki h THR 125 CO -0.14 0.20 0.50 0.74 -0.25 0.00 0.00 175.52 176.57 2zki h THR 126 N 1.01 1.25 -0.51 6.82 2.02 -1.64 0.11 112.91 121.97 2zki h THR 126 Ca 0.27 -0.57 -0.11 0.00 0.77 0.00 0.00 66.41 66.76 2zki h THR 126 Cb -0.07 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.39 2zki h THR 126 CO -0.05 0.27 -0.11 0.40 0.37 0.00 0.00 175.52 176.39 2zki h ILE 127 N 1.20 1.27 -0.33 3.11 2.04 -1.74 -1.56 117.51 121.49 2zki h ILE 127 Ca 0.31 -1.24 -0.11 0.00 1.00 0.00 0.00 64.86 64.81 2zki h ILE 127 Cb -0.01 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 2zki h ILE 127 CO -0.05 0.43 -0.26 0.25 0.00 0.00 0.00 178.15 178.53 2zki h LEU 128 N 0.85 0.69 -0.23 1.44 5.85 -0.99 -2.50 115.31 120.41 2zki h LEU 128 Ca 0.13 -0.25 -0.19 0.00 0.84 0.00 0.00 57.88 58.41 2zki h LEU 128 Cb 0.65 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 2zki h LEU 128 CO 0.05 0.92 -0.89 0.71 -0.34 0.00 0.00 178.44 178.88 2zki h THR 129 N 0.58 1.61 0.00 1.05 1.35 -0.97 -3.07 112.91 113.46 2zki h THR 129 Ca 0.08 -2.96 -0.04 0.00 -0.55 0.00 0.00 66.41 62.94 2zki h THR 129 Cb 0.74 2.61 -0.01 0.00 -1.73 0.00 0.00 68.15 69.77 2zki h THR 129 CO 0.06 0.85 -0.19 0.24 -0.25 0.00 0.00 175.52 176.23 2zki h MET 130 N 0.02 0.00 0.00 4.72 2.86 -1.11 -3.21 114.93 118.20 2zki h MET 130 Ca -0.02 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.56 2zki h MET 130 Cb 1.56 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.22 2zki h MET 130 CO 0.12 0.19 -0.27 0.66 1.06 0.00 0.00 176.91 178.67 2zki h SER 131 N 0.00 0.00 -1.00 1.22 4.64 -1.35 -3.14 113.55 113.93 2zki h SER 131 Ca -0.00 0.00 0.19 0.00 -0.47 0.00 0.00 61.79 61.51 2zki h SER 131 Cb 0.36 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.35 2zki h SER 131 CO 0.02 0.27 0.61 0.71 -0.87 0.00 0.00 176.83 177.58 2zki h THR 132 N 0.00 0.71 -0.77 2.95 1.35 -1.70 -0.79 112.91 114.65 2zki h THR 132 Ca -0.00 -0.26 0.12 0.00 -0.55 0.00 0.00 66.41 65.72 2zki h THR 132 Cb 0.60 -0.11 -0.08 0.00 -1.73 0.00 0.00 68.15 66.83 2zki h THR 132 CO 0.04 0.14 0.38 0.22 -0.25 0.00 0.00 175.52 176.04 2zki h TYR 133 N 0.75 0.66 -0.16 4.73 5.03 -1.79 -2.13 116.97 124.06 2zki h TYR 133 Ca 0.57 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.85 2zki h TYR 133 Cb 0.91 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 39.00 2zki h TYR 133 CO -0.00 0.18 -0.19 0.00 -1.32 0.00 0.00 178.16 176.82 2zki h ALA 134 N 1.50 1.39 -0.42 1.82 0.00 -1.35 -2.57 119.26 119.63 2zki h ALA 134 Ca 0.41 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 2zki h ALA 134 Cb 0.52 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2zki h ALA 134 CO -0.33 0.42 0.11 1.88 0.00 0.00 0.00 179.25 181.33 2zki h TYR 135 N 0.25 0.70 0.00 0.00 -1.99 -1.36 0.38 116.97 114.94 2zki h TYR 135 Ca 0.04 -0.08 -0.08 0.00 2.00 0.00 0.00 58.73 60.61 2zki h TYR 135 Cb 0.49 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 39.01 2zki h TYR 135 CO 0.01 0.65 -0.39 0.45 -0.00 0.00 0.00 178.16 178.89 2zki h HIS 136 N 0.54 0.00 -0.01 4.88 3.86 -1.36 -2.93 115.15 120.13 2zki h HIS 136 Ca 0.13 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 2zki h HIS 136 Cb 0.30 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.77 2zki h HIS 136 CO 0.02 0.39 -0.39 1.19 0.86 0.00 0.00 177.93 179.99 2zki n PHE 137 N -3.68 0.00 -1.26 2.45 3.01 -0.99 -4.96 117.46 112.02 2zki n PHE 137 Ca -0.01 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.39 2zki n PHE 137 Cb 0.48 -0.03 -0.03 0.00 -0.01 0.00 0.00 39.48 39.90 2zki n PHE 137 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2zki n GLY 138 N 1.39 0.82 3.76 1.37 0.00 -0.45 -3.43 105.19 108.65 2zki n GLY 138 Ca 0.10 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 44.97 2zki n GLY 138 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2zki s MET 139 N -2.68 4.65 -0.04 1.61 -1.94 0.12 -0.66 119.30 120.35 2zki s MET 139 Ca 0.00 1.26 -0.26 0.00 -1.71 0.00 0.00 55.69 54.99 2zki s MET 139 Cb 0.00 -3.30 -0.03 0.00 2.01 0.00 0.00 34.83 33.51 2zki s MET 139 CO 0.00 0.47 0.79 0.96 -0.01 0.00 0.00 175.02 177.23 2zki s ILE 140 N -0.84 4.99 -0.10 2.53 -4.36 -0.42 -4.45 121.20 118.54 2zki s ILE 140 Ca 0.39 1.65 -0.19 0.00 -0.26 0.00 0.00 60.65 62.23 2zki s ILE 140 Cb -0.23 -4.13 -0.04 0.00 1.25 0.00 0.00 42.46 39.30 2zki s ILE 140 CO 0.28 0.22 0.53 -0.63 0.24 0.00 0.00 174.94 175.58 2zki s ILE 141 N 0.86 5.15 -0.36 8.37 1.01 -1.26 -0.59 121.20 134.38 2zki s ILE 141 Ca 0.42 1.07 -0.02 0.00 0.00 0.00 0.00 60.65 62.13 2zki s ILE 141 Cb -0.19 -3.87 0.08 0.00 0.01 0.00 0.00 42.46 38.49 2zki s ILE 141 CO 0.21 0.31 0.11 -0.69 0.00 0.00 0.00 174.94 174.89 2zki s VAL 142 N 0.65 3.13 0.67 2.92 1.01 0.13 -4.91 120.40 124.01 2zki s VAL 142 Ca 0.29 -1.78 -0.08 0.00 0.00 0.00 0.00 61.98 60.41 2zki s VAL 142 Cb -0.16 -3.01 0.03 0.00 0.00 0.00 0.00 36.38 33.24 2zki s VAL 142 CO 0.12 -0.44 1.01 -2.16 0.00 0.00 0.00 175.10 173.63 2zki s PRO 143 N 1.18 2.62 -0.02 2.72 0.04 -1.26 -4.36 135.00 135.92 2zki s PRO 143 Ca 0.03 0.08 0.21 0.00 0.04 0.00 0.00 61.00 61.35 2zki s PRO 143 Cb -0.21 -2.14 -0.31 0.00 0.04 0.00 0.00 34.50 31.88 2zki s PRO 143 CO -0.03 -1.02 0.54 0.44 0.04 0.00 0.00 177.00 176.97 2zki n ILE 144 N -2.86 0.00 -1.12 0.56 -5.35 -1.14 -5.04 119.36 104.41 2zki n ILE 144 Ca 0.06 -0.39 0.00 0.00 -0.27 0.00 0.00 62.75 62.15 2zki n ILE 144 Cb 0.59 0.20 0.00 0.00 -1.74 0.00 0.00 39.64 38.69 2zki n ILE 144 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2zki n GLY 145 N 1.34 3.46 2.52 3.28 0.00 -0.86 -3.04 105.19 111.88 2zki n GLY 145 Ca -0.02 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 2zki n GLY 145 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2zki n TYR 146 N 14.00 2.64 -0.21 1.61 4.02 -1.26 -3.72 117.16 134.24 2zki n TYR 146 Ca 0.00 -2.95 -0.08 0.00 -0.01 0.00 0.00 57.90 54.86 2zki n TYR 146 Cb 0.00 -0.19 0.03 0.00 -0.02 0.00 0.00 39.34 39.16 2zki n TYR 146 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 2zki h GLY 147 N 2.68 1.06 -4.86 2.72 0.00 -1.97 -3.44 103.07 99.27 2zki h GLY 147 Ca 0.17 -0.70 -0.65 0.00 0.00 0.00 0.00 47.33 46.16 2zki h GLY 147 CO 0.72 0.65 -0.59 -0.26 0.00 0.00 0.00 176.54 177.06 2zki s ILE 148 N -5.24 4.61 0.61 2.60 -4.36 -1.26 -5.01 121.20 113.14 2zki s ILE 148 Ca -0.12 -0.56 0.30 0.00 -0.26 0.00 0.00 60.65 60.01 2zki s ILE 148 Cb 0.13 -3.15 0.36 0.00 1.25 0.00 0.00 42.46 41.06 2zki s ILE 148 CO 0.83 0.27 2.08 -0.65 0.24 0.00 0.00 174.94 177.70 2zki h PRO 149 N 3.80 0.00 0.00 0.37 0.11 -2.03 -2.01 132.00 132.24 2zki h PRO 149 Ca -0.48 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 2zki h PRO 149 Cb 1.17 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2zki h PRO 149 CO 0.63 0.00 -0.23 0.93 -0.21 0.00 0.00 178.00 179.13 2zki h GLU 150 N 0.00 0.00 0.00 1.05 3.07 -1.96 -2.51 114.58 114.23 2zki h GLU 150 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 2zki h GLU 150 Cb 0.54 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.45 2zki h GLU 150 CO -0.00 0.23 0.00 -0.07 -1.40 0.00 0.00 179.01 177.77 2zki h LEU 151 N 0.00 0.00 0.11 1.33 3.38 -1.73 -1.18 115.31 117.21 2zki h LEU 151 Ca -0.00 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.66 2zki h LEU 151 Cb 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 2zki h LEU 151 CO 0.03 0.00 -1.56 -0.26 0.09 0.00 0.00 178.44 176.73 2zki h PHE 152 N 0.00 0.41 0.10 1.13 0.04 -1.61 -3.41 116.94 113.60 2zki h PHE 152 Ca 0.00 -0.30 -0.31 0.00 2.80 0.00 0.00 57.97 60.17 2zki h PHE 152 Cb 0.43 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.55 2zki h PHE 152 CO 0.00 1.37 -1.57 1.96 -0.60 0.00 0.00 178.31 179.47 2zki h GLN 153 N 0.06 0.22 -6.42 1.51 4.20 -1.33 -3.47 115.11 109.87 2zki h GLN 153 Ca -0.25 -0.37 -0.62 0.00 0.06 0.00 0.00 58.65 57.46 2zki h GLN 153 Cb 2.01 0.14 0.09 0.00 0.30 0.00 0.00 27.48 30.02 2zki h GLN 153 CO 0.15 1.05 0.27 -2.37 -0.67 0.00 0.00 178.83 177.26 2zki n THR 154 N -3.41 1.31 -0.17 -0.54 5.66 -0.50 -4.90 114.28 111.72 2zki n THR 154 Ca -0.17 -0.33 0.00 0.00 -3.05 0.00 0.00 64.05 60.50 2zki n THR 154 Cb 1.04 -1.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.82 2zki n THR 154 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2zki n THR 155 N 1.09 0.60 0.00 1.09 -2.24 -1.26 -4.94 114.28 108.62 2zki n THR 155 Ca 0.12 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 2zki n THR 155 Cb 0.28 0.75 0.00 0.00 -2.10 0.00 0.00 70.33 69.26 2zki n THR 155 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2zki n THR 156 N -0.30 0.00 -4.40 4.28 -2.24 -1.26 -5.11 114.28 105.25 2zki n THR 156 Ca 0.00 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.56 2zki n THR 156 Cb 0.22 -0.31 -0.10 0.00 -2.10 0.00 0.00 70.33 68.04 2zki n THR 156 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2zki s GLY 157 N -1.32 1.64 0.00 3.38 0.00 -1.26 -4.40 107.32 105.37 2zki s GLY 157 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 44.72 43.01 2zki s GLY 157 CO 0.00 -1.79 0.00 0.61 0.00 0.00 0.00 173.10 171.92 2zki n GLY 158 N -0.27 1.26 3.76 0.20 0.00 -1.18 -4.55 105.19 104.41 2zki n GLY 158 Ca -0.08 -1.42 -0.10 0.00 0.00 0.00 0.00 46.02 44.42 2zki n GLY 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2zki n GLY 159 N 2.16 1.11 0.31 -0.02 0.00 -0.57 -4.85 105.19 103.32 2zki n GLY 159 Ca 0.00 -1.30 0.15 0.00 0.00 0.00 0.00 46.02 44.86 2zki n GLY 159 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2zki h PRO 160 N 0.00 0.00 0.06 1.61 0.13 -1.92 -2.32 132.00 129.56 2zki h PRO 160 Ca -0.33 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.56 2zki h PRO 160 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.37 2zki h PRO 160 CO 0.42 0.00 -1.07 1.88 -0.23 0.00 0.00 178.00 179.01 2zki h TYR 161 N 0.00 0.42 0.00 1.56 -1.99 -1.92 -2.26 116.97 112.79 2zki h TYR 161 Ca 0.04 -0.27 0.00 0.00 2.00 0.00 0.00 58.73 60.50 2zki h TYR 161 Cb 0.21 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 38.91 2zki h TYR 161 CO 0.00 1.15 0.00 0.41 -0.00 0.00 0.00 178.16 179.72 2zki n GLY 162 N 1.23 -0.40 3.73 3.88 0.00 -0.87 -4.57 105.19 108.19 2zki n GLY 162 Ca -0.06 -1.14 -0.41 0.00 0.00 0.00 0.00 46.02 44.41 2zki n GLY 162 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2zki s ALA 163 N -2.00 3.26 0.29 4.61 0.00 -1.26 -1.51 121.76 125.16 2zki s ALA 163 Ca 0.00 0.60 0.02 0.00 0.00 0.00 0.00 51.96 52.59 2zki s ALA 163 Cb 0.00 -3.28 -0.04 0.00 0.00 0.00 0.00 23.12 19.80 2zki s ALA 163 CO 0.00 -0.03 0.14 0.95 0.00 0.00 0.00 175.76 176.82 2zki s THR 164 N -0.11 0.41 -0.01 0.00 -4.23 -1.25 -2.58 115.64 107.86 2zki s THR 164 Ca 0.47 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 59.03 2zki s THR 164 Cb -0.24 -2.55 -0.01 0.00 1.34 0.00 0.00 72.50 71.04 2zki s THR 164 CO 0.30 0.00 -0.18 -2.28 -0.54 0.00 0.00 174.62 171.93 2zki s HIS 165 N -3.65 1.61 -0.19 3.99 5.65 -1.23 -3.09 115.29 118.38 2zki s HIS 165 Ca 0.36 -0.31 -0.12 0.00 0.25 0.00 0.00 55.06 55.24 2zki s HIS 165 Cb 0.06 -1.04 -0.05 0.00 -1.18 0.00 0.00 32.58 30.37 2zki s HIS 165 CO 0.16 -0.03 0.20 -1.17 -0.65 0.00 0.00 174.74 173.25 2zki s LEU 166 N -0.40 4.21 0.00 8.88 2.96 -1.26 -2.63 118.68 130.43 2zki s LEU 166 Ca 0.07 0.32 0.00 0.00 -0.22 0.00 0.00 54.13 54.30 2zki s LEU 166 Cb -0.07 -2.21 0.00 0.00 0.50 0.00 0.00 46.19 44.41 2zki s LEU 166 CO -0.01 0.13 0.00 0.61 -1.32 0.00 0.00 176.35 175.76 2zki n GLY 167 N 3.59 1.11 0.63 7.98 0.00 -0.96 -4.72 105.19 112.81 2zki n GLY 167 Ca -0.14 -2.11 0.13 0.00 0.00 0.00 0.00 46.02 43.90 2zki n GLY 167 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2zki n SER 168 N 0.00 1.97 -4.71 1.61 7.64 -1.26 -4.21 113.62 114.66 2zki n SER 168 Ca 0.00 -1.66 -0.30 0.00 1.01 0.00 0.00 58.87 57.92 2zki n SER 168 Cb 0.00 -0.01 0.15 0.00 -1.01 0.00 0.00 64.21 63.34 2zki n SER 168 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2zki s LYS 169 N -1.99 1.11 -0.21 1.43 3.01 -1.26 -4.90 119.74 116.93 2zki s LYS 169 Ca 0.35 0.81 0.09 0.00 -1.01 0.00 0.00 55.97 56.20 2zki s LYS 169 Cb 0.21 -1.79 -0.21 0.00 -1.01 0.00 0.00 37.83 35.02 2zki s LYS 169 CO 0.32 -2.34 0.01 0.39 0.51 0.00 0.00 175.35 174.24 2zki n GLU 170 N -3.95 0.67 -2.28 1.68 1.02 -1.26 -4.18 120.64 112.35 2zki n GLU 170 Ca 0.07 0.10 -0.42 0.00 -0.02 0.00 0.00 57.16 56.89 2zki n GLU 170 Cb 0.55 -1.56 -0.03 0.00 -0.02 0.00 0.00 31.44 30.39 2zki n GLU 170 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2zki s GLU 171 N -2.52 4.28 0.34 3.49 8.01 -1.26 -4.46 118.70 126.58 2zki s GLU 171 Ca -0.22 1.88 -0.16 0.00 0.01 0.00 0.00 54.97 56.49 2zki s GLU 171 Cb 0.08 -3.65 -0.09 0.00 -4.31 0.00 0.00 34.13 26.15 2zki s GLU 171 CO 0.72 -0.60 0.77 -0.51 0.01 0.00 0.00 175.26 175.65 2zki s LEU 172 N 2.73 4.05 0.75 1.80 1.43 -1.26 -5.07 118.68 123.11 2zki s LEU 172 Ca 0.62 1.35 -0.06 0.00 -1.03 0.00 0.00 54.13 55.00 2zki s LEU 172 Cb -0.29 -4.14 0.10 0.00 0.03 0.00 0.00 46.19 41.90 2zki s LEU 172 CO 0.24 -0.22 1.06 1.51 0.23 0.00 0.00 176.35 179.16 2zki s ASP 173 N -2.24 4.38 0.24 2.29 -4.77 -1.26 -4.90 116.67 110.41 2zki s ASP 173 Ca 0.55 0.18 -0.05 0.00 -3.30 0.00 0.00 52.55 49.93 2zki s ASP 173 Cb -0.10 -0.66 0.26 0.00 -1.09 0.00 0.00 42.92 41.34 2zki s ASP 173 CO 0.17 -1.86 1.81 -0.08 0.70 0.00 0.00 175.17 175.91 2zki h GLU 174 N -0.75 1.07 -0.24 2.11 4.81 -1.99 -2.03 114.58 117.57 2zki h GLU 174 Ca -0.42 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 58.62 2zki h GLU 174 Cb 1.29 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.48 2zki h GLU 174 CO 0.50 0.88 0.15 0.52 -0.73 0.00 0.00 179.01 180.33 2zki h MET 175 N 1.05 0.31 -0.70 1.92 2.86 -1.95 -2.10 114.93 116.32 2zki h MET 175 Ca 0.24 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.82 2zki h MET 175 Cb 0.21 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 2zki h MET 175 CO -0.02 0.20 0.26 0.93 1.06 0.00 0.00 176.91 179.34 2zki h GLU 176 N 0.32 1.06 -0.40 1.72 5.08 -1.71 -1.76 114.58 118.88 2zki h GLU 176 Ca 0.09 -0.21 -0.10 0.00 -1.00 0.00 0.00 59.36 58.14 2zki h GLU 176 Cb -0.03 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 2zki h GLU 176 CO -0.02 0.89 -0.16 0.00 -1.00 0.00 0.00 179.01 178.72 2zki h ARG 177 N 1.01 0.75 -0.27 2.33 3.08 -1.29 -1.67 114.38 118.33 2zki h ARG 177 Ca 0.23 -0.27 -0.15 0.00 0.07 0.00 0.00 59.98 59.86 2zki h ARG 177 Cb 0.24 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 2zki h ARG 177 CO -0.01 0.87 -0.44 -0.22 -1.07 0.00 0.00 179.97 179.09 2zki h LYS 178 N 0.67 0.68 -0.29 0.04 1.63 -1.17 -2.71 116.57 115.43 2zki h LYS 178 Ca 0.11 -0.37 -0.12 0.00 -0.85 0.00 0.00 60.65 59.41 2zki h LYS 178 Cb 0.65 0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 32.29 2zki h LYS 178 CO 0.05 0.99 -0.31 0.82 -3.45 0.00 0.00 179.45 177.55 2zki h ILE 179 N 0.55 1.30 -0.74 2.00 2.04 -1.20 -2.73 117.51 118.73 2zki h ILE 179 Ca 0.04 -1.48 -0.01 0.00 1.00 0.00 0.00 64.86 64.41 2zki h ILE 179 Cb 0.99 1.59 -0.04 0.00 -0.74 0.00 0.00 36.82 38.62 2zki h ILE 179 CO 0.09 0.47 0.45 0.00 0.00 0.00 0.00 178.15 179.16 2zki h ALA 180 N 0.70 0.95 -0.26 1.87 0.00 -1.32 -1.49 119.26 119.70 2zki h ALA 180 Ca 0.04 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 2zki h ALA 180 Cb 0.88 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2zki h ALA 180 CO 0.08 0.42 -0.07 0.00 0.00 0.00 0.00 179.25 179.68 2zki h ARG 181 N 1.02 0.42 -0.03 0.00 3.08 -1.48 -2.35 114.38 115.04 2zki h ARG 181 Ca 0.27 -0.10 -0.12 0.00 0.07 0.00 0.00 59.98 60.10 2zki h ARG 181 Cb -0.03 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 2zki h ARG 181 CO -0.05 0.51 -0.56 0.35 -1.07 0.00 0.00 179.97 179.15 2zki h PHE 182 N 0.40 0.10 -0.35 3.04 3.57 -1.09 -1.37 116.94 121.23 2zki h PHE 182 Ca 0.08 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 2zki h PHE 182 Cb 0.38 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 2zki h PHE 182 CO 0.01 0.62 0.07 0.37 -2.23 0.00 0.00 178.31 177.14 2zki h GLN 183 N 0.06 0.57 -0.78 1.11 4.15 -0.78 -0.60 115.11 118.83 2zki h GLN 183 Ca -0.00 -0.15 -0.05 0.00 0.77 0.00 0.00 58.65 59.22 2zki h GLN 183 Cb 1.00 -0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.59 2zki h GLN 183 CO 0.08 0.64 0.30 0.78 -1.93 0.00 0.00 178.83 178.69 2zki h GLY 184 N 0.41 1.27 1.00 2.39 0.00 -1.34 -1.93 103.07 104.88 2zki h GLY 184 Ca 0.11 -0.70 0.00 0.00 0.00 0.00 0.00 47.33 46.74 2zki h GLY 184 CO 0.01 0.66 0.29 1.70 0.00 0.00 0.00 176.54 179.20 2zki h LYS 185 N 1.15 0.59 -0.68 4.80 3.64 -1.14 -2.74 116.57 122.18 2zki h LYS 185 Ca 0.26 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.54 2zki h LYS 185 Cb 0.24 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 2zki h LYS 185 CO -0.02 0.40 0.20 0.00 -2.27 0.00 0.00 179.45 177.76 2zki h ARG 186 N 0.60 1.07 -0.01 1.90 2.47 -0.74 -2.74 114.38 116.92 2zki h ARG 186 Ca 0.16 -0.24 -0.10 0.00 -1.26 0.00 0.00 59.98 58.54 2zki h ARG 186 Cb -0.06 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.10 2zki h ARG 186 CO -0.03 0.93 -0.48 0.97 0.56 0.00 0.00 179.97 181.91 2zki h ILE 187 N 1.00 1.35 -0.19 2.04 6.09 -1.32 -3.04 117.51 123.44 2zki h ILE 187 Ca 0.22 -1.66 -0.04 0.00 -1.37 0.00 0.00 64.86 62.01 2zki h ILE 187 Cb 0.31 1.88 -0.01 0.00 0.47 0.00 0.00 36.82 39.48 2zki h ILE 187 CO -0.01 0.48 -0.04 0.74 -3.07 0.00 0.00 178.15 176.25 2zki h THR 188 N 0.02 1.28 -0.70 2.19 2.02 -1.26 -1.34 112.91 115.12 2zki h THR 188 Ca -0.00 -1.01 -0.01 0.00 0.77 0.00 0.00 66.41 66.17 2zki h THR 188 Cb 0.86 1.55 -0.03 0.00 -1.74 0.00 0.00 68.15 68.79 2zki h THR 188 CO 0.06 0.30 0.41 -0.33 0.37 0.00 0.00 175.52 176.34 2zki h GLU 189 N 0.09 0.96 -0.10 6.66 5.08 -1.45 -1.32 114.58 124.49 2zki h GLU 189 Ca 0.05 -0.09 -0.16 0.00 -1.00 0.00 0.00 59.36 58.16 2zki h GLU 189 Cb 0.48 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 2zki h GLU 189 CO 0.02 0.69 -0.62 0.28 -1.00 0.00 0.00 179.01 178.38 2zki h VAL 190 N 0.95 1.37 0.10 3.13 2.07 -1.58 -2.76 116.25 119.54 2zki h VAL 190 Ca 0.25 -1.98 -0.00 0.00 0.82 0.00 0.00 66.70 65.79 2zki h VAL 190 Cb -0.01 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 2zki h VAL 190 CO -0.05 0.59 -0.05 0.00 0.02 0.00 0.00 177.57 178.09 2zki h ALA 191 N 1.08 -0.13 0.00 1.67 0.00 -0.58 -1.73 119.26 119.57 2zki h ALA 191 Ca -0.01 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 2zki h ALA 191 Cb 1.15 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2zki h ALA 191 CO 0.10 -0.54 -0.40 1.57 0.00 0.00 0.00 179.25 179.98 2zki h LYS 192 N -0.21 0.00 -0.35 0.00 2.10 -1.35 -1.49 116.57 115.27 2zki h LYS 192 Ca -0.01 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.51 2zki h LYS 192 Cb 0.17 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.49 2zki h LYS 192 CO 0.02 0.40 -0.30 0.00 -2.00 0.00 0.00 179.45 177.58 2zki h ALA 193 N 1.60 0.82 0.03 0.07 0.00 -1.30 -0.06 119.26 120.41 2zki h ALA 193 Ca -0.00 -0.40 -0.13 0.00 0.00 0.00 0.00 54.91 54.37 2zki h ALA 193 Cb 0.93 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.60 2zki h ALA 193 CO 0.05 0.64 -0.53 0.82 0.00 0.00 0.00 179.25 180.24 2zki h ILE 194 N 0.64 1.50 -0.30 0.00 1.08 -1.22 -3.36 117.51 115.85 2zki h ILE 194 Ca 0.07 -2.17 -0.02 0.00 -0.39 0.00 0.00 64.86 62.35 2zki h ILE 194 Cb 0.82 2.84 -0.01 0.00 -3.07 0.00 0.00 36.82 37.39 2zki h ILE 194 CO 0.07 0.61 0.11 0.50 -0.69 0.00 0.00 178.15 178.76 2zki h LYS 195 N -0.33 0.45 -0.00 2.37 3.64 -1.27 -3.52 116.57 117.91 2zki h LYS 195 Ca -0.08 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2zki h LYS 195 Cb 1.30 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 2zki h LYS 195 CO 0.10 0.47 0.00 0.00 -2.27 0.00 0.00 179.45 177.76