#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kir n LYS 2 N 0.00 -2.19 0.00 0.03 5.02 -1.26 -4.49 118.16 115.27 3kir n LYS 2 Ca 0.00 -0.76 0.00 0.00 -2.02 0.00 0.00 58.31 55.53 3kir n LYS 2 Cb 0.00 -1.25 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 3kir n LYS 2 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kir n GLY 3 N -2.25 3.52 3.04 0.72 0.00 -1.26 -4.04 105.19 104.92 3kir n GLY 3 Ca 0.07 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 3kir n GLY 3 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kir s ILE 4 N -0.29 0.17 0.54 -0.61 2.07 -0.72 -4.97 121.20 117.40 3kir s ILE 4 Ca 0.00 -1.39 -0.07 0.00 -1.41 0.00 0.00 60.65 57.77 3kir s ILE 4 Cb 0.00 -0.94 -0.03 0.00 0.13 0.00 0.00 42.46 41.62 3kir s ILE 4 CO 0.00 -0.77 0.89 -0.76 -1.91 0.00 0.00 174.94 172.39 3kir s LEU 5 N -2.24 3.43 0.00 8.50 1.43 -1.26 -0.52 118.68 128.02 3kir s LEU 5 Ca -0.04 1.07 0.00 0.00 -1.03 0.00 0.00 54.13 54.13 3kir s LEU 5 Cb -0.00 -4.03 0.00 0.00 0.03 0.00 0.00 46.19 42.18 3kir s LEU 5 CO -0.06 -0.75 0.00 0.61 0.23 0.00 0.00 176.35 176.38 3kir n GLY 6 N -2.48 1.74 3.31 -3.19 0.00 0.19 -4.45 105.19 100.31 3kir n GLY 6 Ca 0.03 -0.97 -0.08 0.00 0.00 0.00 0.00 46.02 45.00 3kir n GLY 6 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kir s VAL 7 N -2.83 -0.47 0.08 1.61 0.11 -0.25 -1.76 120.40 116.89 3kir s VAL 7 Ca 0.00 0.13 -0.31 0.00 -2.93 0.00 0.00 61.98 58.88 3kir s VAL 7 Cb 0.00 -0.69 -0.10 0.00 -1.53 0.00 0.00 36.38 34.07 3kir s VAL 7 CO 0.00 0.05 1.89 -0.75 -3.33 0.00 0.00 175.10 172.96 3kir s LYS 8 N 2.26 4.14 -0.16 1.54 2.20 -0.45 -1.61 119.74 127.66 3kir s LYS 8 Ca -0.04 2.60 0.18 0.00 -0.36 0.00 0.00 55.97 58.34 3kir s LYS 8 Cb -0.11 -3.85 -0.25 0.00 -1.51 0.00 0.00 37.83 32.11 3kir s LYS 8 CO -0.13 -0.89 0.19 1.33 -0.36 0.00 0.00 175.35 175.48 3kir n VAL 9 N 5.11 1.32 0.00 4.02 0.24 0.22 0.11 118.33 129.35 3kir n VAL 9 Ca 0.19 -0.82 0.00 0.00 -2.04 0.00 0.00 64.34 61.66 3kir n VAL 9 Cb 0.39 -0.50 0.00 0.00 -1.47 0.00 0.00 33.84 32.26 3kir n VAL 9 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kir n GLY 10 N 1.68 0.82 3.15 7.63 0.00 -1.23 -4.68 105.19 112.57 3kir n GLY 10 Ca -0.29 -1.85 -0.08 0.00 0.00 0.00 0.00 46.02 43.80 3kir n GLY 10 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3kir s MET 11 N -1.17 0.81 0.23 1.61 0.23 -1.26 -0.59 119.30 119.15 3kir s MET 11 Ca 0.00 -1.25 -0.09 0.00 -1.03 0.00 0.00 55.69 53.32 3kir s MET 11 Cb 0.00 0.26 0.03 0.00 -1.53 0.00 0.00 34.83 33.59 3kir s MET 11 CO 0.00 -0.22 0.45 0.25 -2.03 0.00 0.00 175.02 173.48 3kir n THR 12 N -0.02 0.00 -4.46 3.16 -2.24 -0.84 -5.00 114.28 104.88 3kir n THR 12 Ca -0.11 -0.57 -0.23 0.00 -2.27 0.00 0.00 64.05 60.88 3kir n THR 12 Cb 0.62 0.57 -0.10 0.00 -2.10 0.00 0.00 70.33 69.32 3kir n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kir s ARG 13 N -2.05 1.64 0.00 -0.78 1.70 -1.26 -0.55 118.95 117.65 3kir s ARG 13 Ca 0.09 -1.76 0.00 0.00 -0.47 0.00 0.00 55.73 53.59 3kir s ARG 13 Cb -0.03 -1.68 0.00 0.00 -0.57 0.00 0.00 34.95 32.67 3kir s ARG 13 CO 0.07 0.30 0.00 0.44 -1.08 0.00 0.00 175.30 175.03 3kir n ILE 14 N -0.60 0.00 -4.13 4.99 -5.35 -0.64 -4.91 119.36 108.72 3kir n ILE 14 Ca -0.05 0.00 -0.20 0.00 -0.27 0.00 0.00 62.75 62.22 3kir n ILE 14 Cb 0.60 0.00 -0.16 0.00 -1.74 0.00 0.00 39.64 38.34 3kir n ILE 14 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 3kir s PHE 15 N -1.32 0.77 -0.09 4.28 0.08 -1.26 -0.97 117.98 119.47 3kir s PHE 15 Ca 0.00 -0.22 0.03 0.00 0.12 0.00 0.00 56.93 56.86 3kir s PHE 15 Cb 0.00 -0.70 0.01 0.00 -0.57 0.00 0.00 43.02 41.76 3kir s PHE 15 CO 0.00 -0.21 -0.18 1.03 -0.10 0.00 0.00 175.22 175.76 3kir s ARG 16 N 1.02 2.38 4.66 0.44 0.52 -0.90 -4.93 118.95 122.14 3kir s ARG 16 Ca -0.09 -0.64 0.00 0.00 -0.52 0.00 0.00 55.73 54.48 3kir s ARG 16 Cb -0.14 -1.90 0.00 0.00 0.52 0.00 0.00 34.95 33.43 3kir s ARG 16 CO -0.00 0.05 0.00 -0.25 0.02 0.00 0.00 175.30 175.12 3kir n ASP 17 N 3.83 0.00 -2.67 0.23 10.43 -1.26 -2.12 116.55 124.99 3kir n ASP 17 Ca -0.20 0.00 -0.01 0.00 2.57 0.00 0.00 54.79 57.15 3kir n ASP 17 Cb 0.52 0.00 0.05 0.00 1.84 0.00 0.00 41.12 43.53 3kir n ASP 17 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3kir n ASP 18 N 9.09 1.71 -3.80 -2.24 8.00 -1.26 -5.09 116.55 122.95 3kir n ASP 18 Ca 0.00 -2.12 -0.12 0.00 0.71 0.00 0.00 54.79 53.25 3kir n ASP 18 Cb 0.00 -0.46 -0.11 0.00 -0.02 0.00 0.00 41.12 40.54 3kir n ASP 18 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kir s ARG 19 N -3.47 0.42 0.14 -1.24 1.70 -0.90 -5.14 118.95 110.46 3kir s ARG 19 Ca 0.29 0.04 -0.30 0.00 -0.47 0.00 0.00 55.73 55.29 3kir s ARG 19 Cb 0.33 0.19 -0.07 0.00 -0.57 0.00 0.00 34.95 34.83 3kir s ARG 19 CO -0.05 -0.09 1.11 0.00 -1.08 0.00 0.00 175.30 175.19 3kir s ALA 20 N -0.57 3.36 -0.15 7.88 0.00 -1.26 -2.12 121.76 128.90 3kir s ALA 20 Ca -0.07 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.69 3kir s ALA 20 Cb -0.04 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.74 3kir s ALA 20 CO 0.01 -0.25 -0.14 0.14 0.00 0.00 0.00 175.76 175.53 3kir s VAL 21 N 0.10 1.55 0.11 0.00 -7.23 -0.14 -4.95 120.40 109.83 3kir s VAL 21 Ca 0.51 -0.62 -0.31 0.00 -1.81 0.00 0.00 61.98 59.75 3kir s VAL 21 Cb -0.29 -1.46 -0.07 0.00 0.56 0.00 0.00 36.38 35.12 3kir s VAL 21 CO 0.33 0.46 1.33 -2.16 -0.31 0.00 0.00 175.10 174.74 3kir s PRO 22 N 1.47 4.36 0.00 4.82 0.04 -1.26 -1.62 135.00 142.81 3kir s PRO 22 Ca 0.04 1.98 0.02 0.00 0.04 0.00 0.00 61.00 63.09 3kir s PRO 22 Cb -0.13 -3.27 -0.01 0.00 0.04 0.00 0.00 34.50 31.13 3kir s PRO 22 CO -0.10 -0.37 -0.06 0.14 0.04 0.00 0.00 177.00 176.65 3kir s VAL 23 N 1.01 0.44 -0.18 -0.36 -7.23 0.29 -1.06 120.40 113.31 3kir s VAL 23 Ca 0.62 -0.39 -0.04 0.00 -1.81 0.00 0.00 61.98 60.37 3kir s VAL 23 Cb -0.35 -0.40 -0.02 0.00 0.56 0.00 0.00 36.38 36.17 3kir s VAL 23 CO 0.31 0.02 -0.03 0.28 -0.31 0.00 0.00 175.10 175.37 3kir s THR 24 N -0.36 3.75 -0.42 5.32 -1.32 0.18 -1.99 115.64 120.80 3kir s THR 24 Ca -0.00 -0.39 -0.27 0.00 -1.21 0.00 0.00 61.69 59.81 3kir s THR 24 Cb -0.04 -2.67 0.02 0.00 -1.51 0.00 0.00 72.50 68.31 3kir s THR 24 CO -0.00 0.46 1.03 -0.69 -2.21 0.00 0.00 174.62 173.21 3kir s VAL 25 N 0.81 4.40 -0.05 5.08 1.01 0.24 -2.81 120.40 129.08 3kir s VAL 25 Ca -0.01 1.20 -0.01 0.00 0.00 0.00 0.00 61.98 63.16 3kir s VAL 25 Cb -0.14 -4.47 -0.04 0.00 0.00 0.00 0.00 36.38 31.73 3kir s VAL 25 CO 0.02 -0.77 0.03 -0.63 0.00 0.00 0.00 175.10 173.75 3kir s ILE 26 N 3.94 4.49 -0.33 2.22 1.01 -0.49 -0.61 121.20 131.44 3kir s ILE 26 Ca 0.43 -0.33 -0.10 0.00 0.00 0.00 0.00 60.65 60.65 3kir s ILE 26 Cb -0.10 -2.97 0.00 0.00 0.01 0.00 0.00 42.46 39.41 3kir s ILE 26 CO 0.25 0.48 0.16 -0.22 0.00 0.00 0.00 174.94 175.61 3kir s LEU 27 N -1.28 4.25 -0.82 2.97 2.96 -0.63 -0.82 118.68 125.30 3kir s LEU 27 Ca 0.17 -0.67 0.02 0.00 -0.22 0.00 0.00 54.13 53.43 3kir s LEU 27 Cb -0.12 -1.99 0.28 0.00 0.50 0.00 0.00 46.19 44.86 3kir s LEU 27 CO 0.07 -0.25 1.09 0.00 -1.32 0.00 0.00 176.35 175.95 3kir n ALA 28 N 4.97 4.65 -0.88 5.97 0.00 -0.75 -1.09 120.51 133.37 3kir n ALA 28 Ca -0.13 -4.78 -0.35 0.00 0.00 0.00 0.00 53.44 48.18 3kir n ALA 28 Cb 0.48 -1.48 0.09 0.00 0.00 0.00 0.00 19.45 18.53 3kir n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kir n GLY 29 N 0.87 -3.17 3.68 0.00 0.00 -1.26 -4.18 105.19 101.13 3kir n GLY 29 Ca 0.30 -0.68 -0.50 0.00 0.00 0.00 0.00 46.02 45.13 3kir n GLY 29 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3kir n PRO 30 N 0.33 1.91 -3.40 1.61 -0.02 -1.26 -4.83 135.00 129.33 3kir n PRO 30 Ca 0.01 0.69 -0.44 0.00 -2.02 0.00 0.00 63.50 61.75 3kir n PRO 30 Cb 0.59 -2.53 -0.08 0.00 -0.02 0.00 0.00 33.50 31.46 3kir n PRO 30 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kir s PRO 32 N 1.67 3.66 -0.77 0.00 0.02 -1.24 0.12 135.00 138.46 3kir s PRO 32 Ca 0.05 1.08 -0.26 0.00 0.02 0.00 0.00 61.00 61.89 3kir s PRO 32 Cb -0.23 -4.00 -0.08 0.00 0.02 0.00 0.00 34.50 30.21 3kir s PRO 32 CO 0.08 -1.46 2.16 0.54 -0.33 0.00 0.00 177.00 177.99 3kir s VAL 33 N 5.23 3.22 -0.06 3.83 0.11 -1.26 -2.44 120.40 129.02 3kir s VAL 33 Ca 0.62 -0.12 -0.26 0.00 -2.93 0.00 0.00 61.98 59.29 3kir s VAL 33 Cb -0.16 -3.51 -0.23 0.00 -1.53 0.00 0.00 36.38 30.95 3kir s VAL 33 CO 0.30 -0.49 1.06 -0.37 -3.33 0.00 0.00 175.10 172.28 3kir h VAL 34 N 7.42 1.55 -4.90 2.04 -1.51 -1.60 -3.46 116.25 115.78 3kir h VAL 34 Ca -0.03 -1.69 -0.51 0.00 -1.23 0.00 0.00 66.70 63.24 3kir h VAL 34 Cb 1.06 2.67 -0.09 0.00 -2.13 0.00 0.00 31.29 32.80 3kir h VAL 34 CO 1.13 0.45 -0.36 1.67 -1.23 0.00 0.00 177.57 179.23 3kir n GLN 35 N -4.70 1.02 -3.66 5.19 7.27 -1.07 -4.79 117.38 116.64 3kir n GLN 35 Ca -0.09 -2.86 -0.06 0.00 0.07 0.00 0.00 57.00 54.06 3kir n GLN 35 Cb 0.37 0.71 -0.08 0.00 2.41 0.00 0.00 30.24 33.66 3kir n GLN 35 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 3kir s ARG 36 N -3.47 0.46 0.07 3.69 0.52 -1.26 -3.00 118.95 115.96 3kir s ARG 36 Ca 0.03 1.17 -0.12 0.00 -0.52 0.00 0.00 55.73 56.29 3kir s ARG 36 Cb -0.00 0.45 -0.06 0.00 0.52 0.00 0.00 34.95 35.86 3kir s ARG 36 CO 0.02 -0.21 0.43 1.03 0.02 0.00 0.00 175.30 176.59 3kir s ARG 37 N 2.44 3.86 0.01 3.54 1.81 0.91 -4.98 118.95 126.54 3kir s ARG 37 Ca -0.05 0.32 0.01 0.00 -1.72 0.00 0.00 55.73 54.29 3kir s ARG 37 Cb -0.11 -3.06 -0.01 0.00 -0.45 0.00 0.00 34.95 31.32 3kir s ARG 37 CO -0.16 0.59 -0.05 0.95 -0.68 0.00 0.00 175.30 175.95 3kir s THR 38 N -1.30 0.37 -1.05 0.02 -4.23 -1.26 -2.70 115.64 105.49 3kir s THR 38 Ca 0.31 -0.53 0.01 0.00 -1.18 0.00 0.00 61.69 60.30 3kir s THR 38 Cb -0.15 -0.38 0.01 0.00 1.34 0.00 0.00 72.50 73.32 3kir s THR 38 CO 0.17 -0.11 1.02 -0.81 -0.54 0.00 0.00 174.62 174.35 3kir n PRO 39 N 2.36 0.00 -0.05 3.99 -0.04 -1.26 0.39 135.00 140.39 3kir n PRO 39 Ca -0.17 0.45 -0.09 0.00 -0.04 0.00 0.00 63.50 63.65 3kir n PRO 39 Cb 0.57 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.45 3kir n PRO 39 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3kir h GLU 40 N 0.00 -0.01 0.00 0.54 5.08 -1.94 -3.25 114.58 115.00 3kir h GLU 40 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kir h GLU 40 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3kir h GLU 40 CO 0.00 0.59 -0.71 0.36 -1.00 0.00 0.00 179.01 178.26 3kir n LYS 41 N -4.69 2.81 -0.02 2.33 2.85 -0.98 -4.67 118.16 115.78 3kir n LYS 41 Ca -0.06 -0.02 -0.02 0.00 -1.05 0.00 0.00 58.31 57.16 3kir n LYS 41 Cb 0.29 -1.06 -0.03 0.00 -0.65 0.00 0.00 35.03 33.58 3kir n LYS 41 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3kir n ASP 42 N -1.38 3.97 0.00 -5.58 8.00 0.16 -4.96 116.55 116.77 3kir n ASP 42 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 3kir n ASP 42 Cb 0.19 0.65 0.00 0.00 -0.02 0.00 0.00 41.12 41.95 3kir n ASP 42 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kir n GLY 43 N 2.70 0.75 0.00 0.44 0.00 0.17 -4.92 105.19 104.34 3kir n GLY 43 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 3kir n GLY 43 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3kir n TYR 44 N -2.26 0.00 -1.41 1.61 4.11 -1.25 -4.72 117.16 113.24 3kir n TYR 44 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 3kir n TYR 44 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 3kir n TYR 44 CO 0.00 0.00 0.00 2.41 -0.00 0.00 0.00 176.86 179.27 3kir n THR 45 N 0.00 -7.10 0.00 -3.48 -1.04 -1.25 -4.69 114.28 96.71 3kir n THR 45 Ca 0.00 1.46 0.00 0.00 -2.04 0.00 0.00 64.05 63.47 3kir n THR 45 Cb 0.00 -4.00 0.00 0.00 -1.82 0.00 0.00 70.33 64.51 3kir n THR 45 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kir n ALA 46 N 0.82 0.00 -2.73 2.41 0.00 -1.10 -2.96 120.51 116.96 3kir n ALA 46 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 3kir n ALA 46 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 3kir n ALA 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kir s VAL 47 N -1.50 4.43 -0.35 0.00 0.11 -1.19 -0.06 120.40 121.84 3kir s VAL 47 Ca 0.00 -0.52 -0.01 0.00 -2.93 0.00 0.00 61.98 58.52 3kir s VAL 47 Cb 0.00 -3.01 0.09 0.00 -1.53 0.00 0.00 36.38 31.93 3kir s VAL 47 CO 0.00 0.35 0.09 -1.58 -3.33 0.00 0.00 175.10 170.64 3kir s GLN 48 N -1.68 2.06 0.29 1.54 0.74 -1.16 -0.62 119.66 120.84 3kir s GLN 48 Ca 0.21 -1.62 0.06 0.00 0.05 0.00 0.00 55.36 54.06 3kir s GLN 48 Cb -0.12 -3.35 -0.02 0.00 1.10 0.00 0.00 33.01 30.62 3kir s GLN 48 CO 0.12 -0.87 0.36 -0.48 -0.55 0.00 0.00 175.29 173.87 3kir s LEU 49 N 1.13 3.98 0.36 3.68 2.34 -0.82 -1.50 118.68 127.85 3kir s LEU 49 Ca 0.03 -0.18 0.08 0.00 0.06 0.00 0.00 54.13 54.13 3kir s LEU 49 Cb -0.21 -2.62 -0.06 0.00 -0.56 0.00 0.00 46.19 42.74 3kir s LEU 49 CO -0.04 -0.24 0.01 -0.83 -1.06 0.00 0.00 176.35 174.19 3kir s GLY 50 N -4.03 2.22 0.00 -3.48 0.00 -1.02 -2.11 107.32 98.90 3kir s GLY 50 Ca 0.39 -2.08 0.00 0.00 0.00 0.00 0.00 44.72 43.03 3kir s GLY 50 CO 0.29 -1.97 0.00 0.33 0.00 0.00 0.00 173.10 171.74 3kir n PHE 51 N -0.96 0.00 0.00 1.90 -0.00 -0.90 -3.73 117.46 113.77 3kir n PHE 51 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.41 3kir n PHE 51 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.12 3kir n PHE 51 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 3kir n LEU 52 N 0.00 0.00 0.00 -2.13 7.94 -1.26 -4.01 117.00 117.53 3kir n LEU 52 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3kir n LEU 52 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3kir n LEU 52 CO 0.00 0.00 0.00 -2.65 -1.11 0.00 0.00 177.39 173.63 3kir n PRO 53 N 0.18 0.00 0.00 1.96 -0.02 -1.26 -0.45 135.00 135.41 3kir n PRO 53 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3kir n PRO 53 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3kir n PRO 53 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kir n GLN 54 N 0.00 0.00 0.00 -0.52 10.64 -1.26 -3.63 117.38 122.60 3kir n GLN 54 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 3kir n GLN 54 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 3kir n GLN 54 CO 0.00 0.00 0.00 0.09 -1.83 0.00 0.00 177.06 175.32 3kir n ASN 55 N 0.00 0.00 -3.45 2.61 5.03 -1.26 -4.08 115.26 114.11 3kir n ASN 55 Ca 0.00 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.04 3kir n ASN 55 Cb 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 39.78 38.65 3kir n ASN 55 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78 3kir n PRO 56 N 0.00 0.03 -1.17 3.52 -0.02 -1.26 -4.25 135.00 131.85 3kir n PRO 56 Ca 0.00 -0.97 -0.02 0.00 -2.02 0.00 0.00 63.50 60.49 3kir n PRO 56 Cb 0.00 -2.46 -0.01 0.00 -0.02 0.00 0.00 33.50 31.01 3kir n PRO 56 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3kir n LYS 57 N 7.70 -1.19 0.00 -0.52 3.00 -1.26 -4.70 118.16 121.18 3kir n LYS 57 Ca 0.43 0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.85 3kir n LYS 57 Cb 0.38 -4.19 0.00 0.00 0.00 0.00 0.00 35.03 31.22 3kir n LYS 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3kir n ARG 58 N -1.24 0.42 0.20 1.64 1.74 -1.26 -3.99 116.66 114.17 3kir n ARG 58 Ca -0.02 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.94 3kir n ARG 58 Cb 0.10 -1.23 -0.07 0.00 -1.02 0.00 0.00 32.46 30.24 3kir n ARG 58 CO 0.00 0.00 0.00 -0.24 -1.52 0.00 0.00 177.63 175.87 3kir h VAL 59 N 0.16 0.37 0.00 1.55 3.04 -1.90 -3.47 116.25 116.00 3kir h VAL 59 Ca 0.00 -0.59 0.00 0.00 -1.01 0.00 0.00 66.70 65.10 3kir h VAL 59 Cb 0.27 0.57 0.00 0.00 -2.01 0.00 0.00 31.29 30.12 3kir h VAL 59 CO 0.00 0.07 0.00 -0.46 -1.01 0.00 0.00 177.57 176.17 3kir n ASN 60 N -5.18 0.00 -0.02 3.17 0.23 -1.26 -3.53 115.26 108.68 3kir n ASN 60 Ca -0.09 0.00 -0.02 0.00 -0.53 0.00 0.00 54.58 53.93 3kir n ASN 60 Cb 0.28 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 37.97 3kir n ASN 60 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 3kir n ARG 61 N 0.00 0.08 0.00 -3.83 3.00 -1.26 -4.52 116.66 110.13 3kir n ARG 61 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.85 57.87 3kir n ARG 61 Cb 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 32.46 31.42 3kir n ARG 61 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 3kir n PRO 62 N -2.62 0.98 0.00 -0.14 -0.04 -1.23 -3.86 135.00 128.09 3kir n PRO 62 Ca -0.06 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 3kir n PRO 62 Cb 0.56 -1.44 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 3kir n PRO 62 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3kir n LEU 63 N 0.06 0.00 -4.45 1.53 0.00 -1.26 -4.56 117.00 108.32 3kir n LEU 63 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 56.01 55.87 3kir n LEU 63 Cb 0.27 0.00 -0.13 0.00 0.00 0.00 0.00 43.42 43.57 3kir n LEU 63 CO 0.00 0.00 1.49 1.17 0.00 0.00 0.00 177.39 180.05 3kir n LYS 64 N -0.68 0.19 -0.48 1.96 0.00 -1.25 -4.55 118.16 113.35 3kir n LYS 64 Ca 0.00 -0.51 0.05 0.00 0.00 0.00 0.00 58.31 57.86 3kir n LYS 64 Cb 0.00 -2.27 0.24 0.00 0.00 0.00 0.00 35.03 33.00 3kir n LYS 64 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3kir n GLY 65 N 5.85 2.09 0.00 3.14 0.00 -1.26 -4.40 105.19 110.60 3kir n GLY 65 Ca 0.47 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.93 3kir n GLY 65 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3kir n HIS 66 N 0.52 0.00 -3.70 1.61 -0.00 -1.26 -4.40 115.22 107.99 3kir n HIS 66 Ca 0.17 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.76 3kir n HIS 66 Cb 0.72 0.00 -0.09 0.00 -0.00 0.00 0.00 29.99 30.62 3kir n HIS 66 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.34 176.46 3kir s PHE 67 N -1.31 -0.56 0.00 1.57 2.19 -1.26 -5.12 117.98 113.48 3kir s PHE 67 Ca 0.00 1.33 0.00 0.00 0.33 0.00 0.00 56.93 58.59 3kir s PHE 67 Cb 0.00 0.20 0.00 0.00 -1.31 0.00 0.00 43.02 41.91 3kir s PHE 67 CO 0.00 -0.27 0.00 0.00 1.83 0.00 0.00 175.22 176.78 3kir n ALA 68 N 3.01 0.00 -0.02 11.12 0.00 -1.26 -1.50 120.51 131.86 3kir n ALA 68 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3kir n ALA 68 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 3kir n ALA 68 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3kir n LYS 69 N 0.00 0.05 0.00 0.00 5.02 -1.26 -4.35 118.16 117.62 3kir n LYS 69 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3kir n LYS 69 Cb 0.00 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.54 3kir n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kir n ALA 70 N 1.95 0.70 0.00 7.82 0.00 -0.56 -4.79 120.51 125.63 3kir n ALA 70 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kir n ALA 70 Cb 0.03 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 18.79 3kir n ALA 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kir n GLY 71 N -1.33 0.00 0.45 0.00 0.00 -1.26 -2.31 105.19 100.75 3kir n GLY 71 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3kir n GLY 71 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kir n VAL 72 N 0.00 0.00 -0.99 1.61 0.31 -1.26 -4.63 118.33 113.37 3kir n VAL 72 Ca 0.00 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.00 3kir n VAL 72 Cb 0.00 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 3kir n VAL 72 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3kir n GLU 73 N 0.15 0.00 -1.68 5.55 1.02 -0.98 -4.58 120.64 120.12 3kir n GLU 73 Ca 0.00 0.00 -0.62 0.00 -0.02 0.00 0.00 57.16 56.52 3kir n GLU 73 Cb 0.00 -0.75 -0.08 0.00 -0.02 0.00 0.00 31.44 30.59 3kir n GLU 73 CO 0.00 0.00 0.00 -2.30 1.18 0.00 0.00 177.13 176.01 3kir n PRO 74 N 0.92 0.47 0.00 3.49 -0.02 -1.25 -4.74 135.00 133.87 3kir n PRO 74 Ca 0.10 0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.75 3kir n PRO 74 Cb 0.26 -1.74 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 3kir n PRO 74 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3kir n VAL 75 N 3.62 0.00 -1.09 -1.45 0.31 0.41 -1.66 118.33 118.47 3kir n VAL 75 Ca 0.26 1.26 -0.32 0.00 -0.01 0.00 0.00 64.34 65.53 3kir n VAL 75 Cb 0.05 -1.96 -0.02 0.00 -0.91 0.00 0.00 33.84 30.99 3kir n VAL 75 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3kir n ARG 76 N -1.75 2.60 0.00 5.55 1.74 -1.26 -4.90 116.66 118.63 3kir n ARG 76 Ca 0.00 -1.87 0.00 0.00 -0.77 0.00 0.00 57.85 55.21 3kir n ARG 76 Cb 0.00 -2.72 0.00 0.00 -1.02 0.00 0.00 32.46 28.72 3kir n ARG 76 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3kir n ILE 77 N 4.36 0.00 -3.86 0.55 2.08 -0.67 -4.57 119.36 117.26 3kir n ILE 77 Ca 0.57 0.00 -0.11 0.00 0.56 0.00 0.00 62.75 63.76 3kir n ILE 77 Cb 0.23 0.00 -0.10 0.00 -0.75 0.00 0.00 39.64 39.02 3kir n ILE 77 CO 0.00 0.00 0.00 -1.48 0.56 0.00 0.00 176.55 175.63 3kir s LEU 78 N 0.00 1.47 0.34 1.39 0.05 -1.26 -2.12 118.68 118.56 3kir s LEU 78 Ca 0.00 -0.13 0.03 0.00 0.05 0.00 0.00 54.13 54.08 3kir s LEU 78 Cb 0.00 0.72 -0.04 0.00 -2.05 0.00 0.00 46.19 44.82 3kir s LEU 78 CO 0.00 -0.35 0.11 -0.13 -0.55 0.00 0.00 176.35 175.43 3kir s ARG 79 N -1.25 1.72 0.39 1.48 3.00 -0.90 -4.95 118.95 118.44 3kir s ARG 79 Ca -0.13 -1.99 0.04 0.00 0.00 0.00 0.00 55.73 53.64 3kir s ARG 79 Cb -0.07 -0.54 -0.00 0.00 0.00 0.00 0.00 34.95 34.34 3kir s ARG 79 CO 0.02 -0.37 0.56 -1.21 0.00 0.00 0.00 175.30 174.30 3kir s GLU 80 N -3.83 3.06 -0.08 3.54 2.02 -1.26 -1.95 118.70 120.20 3kir s GLU 80 Ca 0.32 -0.82 0.12 0.00 0.02 0.00 0.00 54.97 54.61 3kir s GLU 80 Cb 0.05 -2.71 0.18 0.00 0.10 0.00 0.00 34.13 31.76 3kir s GLU 80 CO 0.15 -0.11 1.09 -0.89 0.02 0.00 0.00 175.26 175.52 3kir n ILE 81 N -1.84 1.23 -2.95 -1.63 2.08 0.21 -4.96 119.36 111.50 3kir n ILE 81 Ca 0.01 -1.47 0.00 0.00 0.56 0.00 0.00 62.75 61.85 3kir n ILE 81 Cb 0.58 0.03 0.00 0.00 -0.75 0.00 0.00 39.64 39.50 3kir n ILE 81 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 3kir n ARG 82 N -0.93 0.00 -1.42 0.38 3.00 -1.26 -4.19 116.66 112.25 3kir n ARG 82 Ca 0.10 0.00 -0.14 0.00 -0.00 0.00 0.00 57.85 57.82 3kir n ARG 82 Cb 0.65 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.99 3kir n ARG 82 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 3kir n ASP 83 N -3.41 -0.30 -3.15 6.15 10.43 -1.15 -3.36 116.55 121.76 3kir n ASP 83 Ca 0.00 -1.29 0.05 0.00 2.57 0.00 0.00 54.79 56.11 3kir n ASP 83 Cb 0.00 -1.03 -0.01 0.00 1.84 0.00 0.00 41.12 41.92 3kir n ASP 83 CO 0.00 0.00 0.00 0.12 -1.07 0.00 0.00 177.20 176.25 3kir s PHE 84 N 6.63 -1.31 -0.27 1.24 5.99 -1.26 -0.66 117.98 128.34 3kir s PHE 84 Ca 0.85 1.03 0.03 0.00 0.00 0.00 0.00 56.93 58.84 3kir s PHE 84 Cb -0.35 0.33 0.07 0.00 0.00 0.00 0.00 43.02 43.06 3kir s PHE 84 CO 0.26 -0.74 -0.07 1.21 -0.00 0.00 0.00 175.22 175.87 3kir s ASN 85 N 2.88 4.41 0.03 6.13 3.84 -1.26 -3.19 114.94 127.79 3kir s ASN 85 Ca 0.14 -1.50 0.01 0.00 0.21 0.00 0.00 52.86 51.72 3kir s ASN 85 Cb -0.10 -1.50 0.01 0.00 -0.55 0.00 0.00 41.25 39.11 3kir s ASN 85 CO -0.21 -0.23 0.04 -0.81 -2.79 0.00 0.00 177.10 173.09 3kir n PRO 86 N 4.44 1.00 -1.63 0.43 -0.04 -1.26 -4.95 135.00 133.00 3kir n PRO 86 Ca -0.10 -0.17 -0.40 0.00 -0.04 0.00 0.00 63.50 62.79 3kir n PRO 86 Cb 0.42 -0.01 -0.04 0.00 -0.04 0.00 0.00 33.50 33.83 3kir n PRO 86 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3kir n GLU 87 N -1.04 2.06 -0.22 0.54 0.28 -1.26 -4.83 120.64 116.16 3kir n GLU 87 Ca 0.01 -2.32 -0.02 0.00 -0.16 0.00 0.00 57.16 54.67 3kir n GLU 87 Cb 0.03 -3.23 -0.02 0.00 1.43 0.00 0.00 31.44 29.66 3kir n GLU 87 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3kir n GLY 88 N 4.76 -0.04 0.00 -1.84 0.00 -1.26 -4.62 105.19 102.19 3kir n GLY 88 Ca 0.49 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.51 3kir n GLY 88 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kir n ASP 89 N 0.91 0.00 -2.28 1.61 2.03 -1.26 -5.00 116.55 112.56 3kir n ASP 89 Ca 0.05 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.36 3kir n ASP 89 Cb 0.06 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 3kir n ASP 89 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 3kir n THR 90 N 0.00-10.97 -3.32 5.18 -1.04 -1.25 -4.92 114.28 97.96 3kir n THR 90 Ca 0.00 2.61 -0.38 0.00 -2.04 0.00 0.00 64.05 64.24 3kir n THR 90 Cb 0.00 -5.20 -0.06 0.00 -1.82 0.00 0.00 70.33 63.25 3kir n THR 90 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3kir s VAL 91 N -0.48 5.17 0.45 12.58 1.01 0.33 -4.84 120.40 134.63 3kir s VAL 91 Ca 0.00 0.89 0.06 0.00 0.00 0.00 0.00 61.98 62.93 3kir s VAL 91 Cb 0.00 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.54 3kir s VAL 91 CO 0.00 0.28 0.17 0.42 0.00 0.00 0.00 175.10 175.97 3kir s THR 92 N 0.99 1.99 0.58 3.92 -4.23 -1.26 -0.63 115.64 117.00 3kir s THR 92 Ca 0.24 -1.74 0.27 0.00 -1.18 0.00 0.00 61.69 59.28 3kir s THR 92 Cb -0.15 -2.73 0.36 0.00 1.34 0.00 0.00 72.50 71.31 3kir s THR 92 CO 0.09 0.00 2.11 0.58 -0.54 0.00 0.00 174.62 176.86 3kir h VAL 93 N 1.34 0.55 0.00 2.29 2.07 -1.88 -2.11 116.25 118.51 3kir h VAL 93 Ca -0.42 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.10 3kir h VAL 93 Cb 1.27 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 31.90 3kir h VAL 93 CO 0.70 0.00 0.23 1.21 0.02 0.00 0.00 177.57 179.73 3kir n GLU 94 N -3.94 0.08 0.26 1.57 4.07 -1.26 -1.43 120.64 119.98 3kir n GLU 94 Ca 0.02 0.53 0.10 0.00 -0.06 0.00 0.00 57.16 57.75 3kir n GLU 94 Cb 0.31 -1.99 0.69 0.00 -0.06 0.00 0.00 31.44 30.39 3kir n GLU 94 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 3kir h ILE 95 N 0.00 0.77 -3.33 6.31 1.08 -1.80 -3.41 117.51 117.14 3kir h ILE 95 Ca 0.00 -0.41 -0.64 0.00 -0.39 0.00 0.00 64.86 63.41 3kir h ILE 95 Cb 0.46 1.24 -0.20 0.00 -3.07 0.00 0.00 36.82 35.26 3kir h ILE 95 CO 0.00 0.10 -0.65 -0.36 -0.69 0.00 0.00 178.15 176.55 3kir s PHE 96 N -4.50 3.06 -0.06 1.37 0.08 -0.52 -5.06 117.98 112.35 3kir s PHE 96 Ca -0.04 -0.18 0.02 0.00 0.12 0.00 0.00 56.93 56.85 3kir s PHE 96 Cb 0.15 -1.93 -0.03 0.00 -0.57 0.00 0.00 43.02 40.64 3kir s PHE 96 CO 0.62 0.07 -0.11 0.15 -0.10 0.00 0.00 175.22 175.84 3kir s LYS 97 N 0.13 2.63 0.13 0.44 1.02 -1.26 -4.92 119.74 117.91 3kir s LYS 97 Ca -0.00 -0.64 -0.35 0.00 0.02 0.00 0.00 55.97 55.00 3kir s LYS 97 Cb -0.13 -2.47 -0.17 0.00 -0.52 0.00 0.00 37.83 34.54 3kir s LYS 97 CO 0.02 0.62 1.16 -2.30 -0.92 0.00 0.00 175.35 173.93 3kir n PRO 98 N 2.32 0.91 0.00 -1.68 -0.02 -1.26 -1.85 135.00 133.42 3kir n PRO 98 Ca -0.17 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 3kir n PRO 98 Cb 0.52 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 3kir n PRO 98 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kir n GLY 99 N 2.07 2.74 3.80 -1.23 0.00 -0.69 -5.02 105.19 106.87 3kir n GLY 99 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3kir n GLY 99 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kir s GLU 100 N -0.46 3.60 -0.01 1.61 2.02 -0.77 -4.71 118.70 119.99 3kir s GLU 100 Ca 0.00 1.27 0.02 0.00 0.02 0.00 0.00 54.97 56.28 3kir s GLU 100 Cb 0.00 -2.07 -0.03 0.00 0.10 0.00 0.00 34.13 32.13 3kir s GLU 100 CO 0.00 -0.59 -0.04 1.03 0.02 0.00 0.00 175.26 175.68 3kir s ARG 101 N -3.64 2.68 0.26 1.61 1.81 -1.26 -0.09 118.95 120.32 3kir s ARG 101 Ca 0.65 -0.65 0.03 0.00 -1.72 0.00 0.00 55.73 54.04 3kir s ARG 101 Cb -0.16 -2.59 -0.04 0.00 -0.45 0.00 0.00 34.95 31.72 3kir s ARG 101 CO 0.28 0.62 0.19 0.14 -0.68 0.00 0.00 175.30 175.85 3kir s VAL 102 N -1.00 0.04 0.14 3.52 -7.23 0.94 -2.51 120.40 114.30 3kir s VAL 102 Ca 0.17 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.43 3kir s VAL 102 Cb -0.11 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 3kir s VAL 102 CO 0.08 0.00 -0.18 -1.81 -0.31 0.00 0.00 175.10 172.88 3kir s ASP 103 N -3.27 3.88 -0.05 4.85 1.01 -1.02 -0.53 116.67 121.54 3kir s ASP 103 Ca 0.39 -0.61 0.01 0.00 0.71 0.00 0.00 52.55 53.05 3kir s ASP 103 Cb 0.05 -0.53 0.02 0.00 1.01 0.00 0.00 42.92 43.47 3kir s ASP 103 CO 0.19 0.16 -0.04 -0.69 0.21 0.00 0.00 175.17 174.99 3kir s VAL 104 N -1.31 0.58 0.04 -1.27 1.01 -0.58 -2.22 120.40 116.64 3kir s VAL 104 Ca 0.19 -0.12 -0.00 0.00 0.00 0.00 0.00 61.98 62.05 3kir s VAL 104 Cb -0.10 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 3kir s VAL 104 CO 0.11 0.25 0.17 -0.89 0.00 0.00 0.00 175.10 174.74 3kir s THR 105 N 1.11 5.24 0.23 3.92 2.01 -0.73 -1.03 115.64 126.39 3kir s THR 105 Ca -0.08 -0.37 -0.22 0.00 0.31 0.00 0.00 61.69 61.33 3kir s THR 105 Cb -0.14 -3.51 0.04 0.00 0.01 0.00 0.00 72.50 68.91 3kir s THR 105 CO -0.01 0.21 0.85 -0.83 -0.69 0.00 0.00 174.62 174.15 3kir s GLY 106 N -2.26 -0.11 -0.47 4.40 0.00 0.59 -2.59 107.32 106.88 3kir s GLY 106 Ca 0.31 -0.15 -0.14 0.00 0.00 0.00 0.00 44.72 44.73 3kir s GLY 106 CO 0.23 0.05 0.38 -1.59 0.00 0.00 0.00 173.10 172.18 3kir s THR 107 N -3.45 5.00 0.45 0.90 2.01 -1.26 -0.25 115.64 119.04 3kir s THR 107 Ca 0.12 -1.23 -0.22 0.00 0.31 0.00 0.00 61.69 60.67 3kir s THR 107 Cb -0.04 -4.04 -0.11 0.00 0.01 0.00 0.00 72.50 68.32 3kir s THR 107 CO 0.05 -0.62 0.68 -1.54 -0.69 0.00 0.00 174.62 172.50 3kir n SER 108 N 5.14 -0.28 -4.67 3.53 3.41 0.12 -3.25 113.62 117.62 3kir n SER 108 Ca -0.12 0.91 -0.41 0.00 -0.26 0.00 0.00 58.87 58.99 3kir n SER 108 Cb 0.43 -1.19 0.01 0.00 -0.26 0.00 0.00 64.21 63.19 3kir n SER 108 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3kir n LYS 109 N 0.32 1.73 -2.98 4.33 5.02 -1.26 -0.73 118.16 124.58 3kir n LYS 109 Ca 0.11 0.62 -0.42 0.00 -2.02 0.00 0.00 58.31 56.60 3kir n LYS 109 Cb 0.41 -2.26 -0.05 0.00 -0.02 0.00 0.00 35.03 33.11 3kir n LYS 109 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3kir s GLY 110 N -0.60 1.67 0.00 0.72 0.00 -1.26 -1.64 107.32 106.21 3kir s GLY 110 Ca 0.62 -0.72 0.29 0.00 0.00 0.00 0.00 44.72 44.91 3kir s GLY 110 CO 0.58 1.71 1.87 0.54 0.00 0.00 0.00 173.10 177.80 3kir n ARG 111 N 6.37 1.36 0.00 2.90 1.74 0.14 -4.84 116.66 124.34 3kir n ARG 111 Ca 0.02 -0.62 0.00 0.00 -0.77 0.00 0.00 57.85 56.48 3kir n ARG 111 Cb 0.48 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 3kir n ARG 111 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kir n GLY 112 N 1.15 0.12 3.55 -0.13 0.00 -1.22 -4.31 105.19 104.36 3kir n GLY 112 Ca 0.20 -0.96 -0.39 0.00 0.00 0.00 0.00 46.02 44.86 3kir n GLY 112 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kir s PHE 113 N 0.00 1.85 -0.15 1.61 5.99 -1.26 -0.39 117.98 125.63 3kir s PHE 113 Ca 0.00 0.58 -0.08 0.00 0.00 0.00 0.00 56.93 57.44 3kir s PHE 113 Cb 0.00 -4.23 -0.04 0.00 0.00 0.00 0.00 43.02 38.75 3kir s PHE 113 CO 0.00 -2.26 0.12 0.00 -0.00 0.00 0.00 175.22 173.08 3kir s ALA 114 N 8.02 3.72 0.92 11.12 0.00 0.19 -4.87 121.76 140.86 3kir s ALA 114 Ca 0.60 -0.68 -0.12 0.00 0.00 0.00 0.00 51.96 51.76 3kir s ALA 114 Cb -0.12 -2.00 0.14 0.00 0.00 0.00 0.00 23.12 21.15 3kir s ALA 114 CO 0.21 0.42 1.13 0.20 0.00 0.00 0.00 175.76 177.71 3kir s GLY 115 N -0.41 1.58 0.66 0.00 0.00 -1.26 -0.77 107.32 107.12 3kir s GLY 115 Ca 0.11 -0.49 -0.16 0.00 0.00 0.00 0.00 44.72 44.18 3kir s GLY 115 CO 0.01 0.07 1.14 0.54 0.00 0.00 0.00 173.10 174.86 3kir s VAL 116 N -3.24 2.99 -0.18 1.40 0.11 -1.26 -2.66 120.40 117.56 3kir s VAL 116 Ca 0.64 0.49 -0.01 0.00 -2.93 0.00 0.00 61.98 60.16 3kir s VAL 116 Cb -0.15 -3.03 0.00 0.00 -1.53 0.00 0.00 36.38 31.67 3kir s VAL 116 CO 0.54 -0.26 0.19 1.15 -3.33 0.00 0.00 175.10 173.39 3kir n MET 117 N -2.32 -0.45 0.00 1.54 0.00 -1.26 -4.68 117.12 109.95 3kir n MET 117 Ca 0.11 0.83 0.00 0.00 0.00 0.00 0.00 57.70 58.64 3kir n MET 117 Cb 0.51 -2.68 0.00 0.00 0.00 0.00 0.00 33.22 31.05 3kir n MET 117 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 3kir n LYS 118 N -1.00 0.00 0.09 3.17 4.81 -1.26 -4.67 118.16 119.30 3kir n LYS 118 Ca 0.01 0.00 -0.06 0.00 -0.87 0.00 0.00 58.31 57.39 3kir n LYS 118 Cb 0.40 0.00 0.08 0.00 0.02 0.00 0.00 35.03 35.53 3kir n LYS 118 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 3kir h ARG 119 N 0.00 0.20 0.00 1.64 1.12 -1.78 -3.38 114.38 112.18 3kir h ARG 119 Ca 0.00 -0.17 0.00 0.00 -1.11 0.00 0.00 59.98 58.70 3kir h ARG 119 Cb 0.00 0.03 0.00 0.00 -0.01 0.00 0.00 29.97 29.99 3kir h ARG 119 CO 0.00 0.82 0.00 0.91 -3.11 0.00 0.00 179.97 178.59 3kir n TRP 120 N -3.79 0.00 -1.00 2.20 5.03 -1.26 -5.04 117.44 113.58 3kir n TRP 120 Ca -0.03 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.50 3kir n TRP 120 Cb 0.68 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.96 3kir n TRP 120 CO 0.00 0.00 0.00 0.09 -0.03 0.00 0.00 177.69 177.75 3kir n ASN 121 N -0.11 -2.29 -4.35 -0.99 4.13 -1.26 -4.70 115.26 105.69 3kir n ASN 121 Ca 0.00 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 55.91 3kir n ASN 121 Cb 0.11 -0.39 0.09 0.00 -1.54 0.00 0.00 39.78 38.05 3kir n ASN 121 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 3kir n PHE 122 N -2.76 -2.00 0.07 3.10 3.01 -1.26 -4.77 117.46 112.85 3kir n PHE 122 Ca 0.00 0.23 0.03 0.00 1.01 0.00 0.00 57.45 58.71 3kir n PHE 122 Cb 0.00 -1.75 -0.04 0.00 -0.01 0.00 0.00 39.48 37.68 3kir n PHE 122 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kir h ALA 123 N -1.07 0.64 -0.98 4.37 0.00 -1.95 -3.40 119.26 116.87 3kir h ALA 123 Ca -0.44 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 53.89 3kir h ALA 123 Cb 1.31 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.24 3kir h ALA 123 CO 0.35 0.66 0.00 0.41 0.00 0.00 0.00 179.25 180.67 3kir n GLY 124 N 1.31 -0.04 4.00 0.00 0.00 -1.26 -4.86 105.19 104.35 3kir n GLY 124 Ca -0.05 -0.98 -0.20 0.00 0.00 0.00 0.00 46.02 44.78 3kir n GLY 124 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kir s GLY 125 N -3.57 1.87 0.17 -0.02 0.00 0.77 -4.96 107.32 101.59 3kir s GLY 125 Ca 0.00 -1.94 -0.31 0.00 0.00 0.00 0.00 44.72 42.47 3kir s GLY 125 CO 0.00 -1.71 1.40 2.56 0.00 0.00 0.00 173.10 175.35 3kir s PRO 126 N -4.55 4.32 0.62 2.90 0.04 -1.26 -4.76 135.00 132.31 3kir s PRO 126 Ca 0.56 2.15 0.37 0.00 0.04 0.00 0.00 61.00 64.12 3kir s PRO 126 Cb -0.05 -3.19 2.08 0.00 0.04 0.00 0.00 34.50 33.37 3kir s PRO 126 CO 0.35 -0.40 2.29 -0.44 0.04 0.00 0.00 177.00 178.84 3kir h ASP 127 N 6.03 0.00 0.00 6.66 5.19 -1.92 -3.45 116.42 128.93 3kir h ASP 127 Ca -0.44 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.97 3kir h ASP 127 Cb 1.21 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.72 3kir h ASP 127 CO 0.83 0.01 0.00 -1.54 -3.12 0.00 0.00 179.24 175.42 3kir n SER 128 N -3.44 0.00 0.00 6.45 3.41 -1.26 -5.00 113.62 113.78 3kir n SER 128 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 3kir n SER 128 Cb 0.10 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 3kir n SER 128 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3kir n HIS 129 N 0.00 0.00 0.00 7.33 8.25 -1.26 -4.69 115.22 124.85 3kir n HIS 129 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3kir n HIS 129 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 3kir n HIS 129 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kir n GLY 130 N 0.00 -2.96 2.69 -1.41 0.00 -1.26 -4.92 105.19 97.33 3kir n GLY 130 Ca 0.00 -1.05 -0.33 0.00 0.00 0.00 0.00 46.02 44.64 3kir n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kir n ALA 131 N -3.00 -5.22 -0.21 4.61 0.00 -1.26 -4.96 120.51 110.47 3kir n ALA 131 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.64 3kir n ALA 131 Cb 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.52 3kir n ALA 131 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3kir n HIS 132 N -2.50 0.00 -1.03 0.00 -0.00 -1.26 -4.76 115.22 105.67 3kir n HIS 132 Ca -0.02 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.17 3kir n HIS 132 Cb 0.55 0.00 0.32 0.00 -0.12 0.00 0.00 29.99 30.74 3kir n HIS 132 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 3kir n LYS 133 N -0.29 3.79 -2.75 1.57 5.02 -1.26 -4.32 118.16 119.92 3kir n LYS 133 Ca 0.00 -3.08 -0.04 0.00 -2.02 0.00 0.00 58.31 53.17 3kir n LYS 133 Cb 0.05 -2.14 0.05 0.00 -0.02 0.00 0.00 35.03 32.97 3kir n LYS 133 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3kir n ILE 134 N -0.07 1.00 -0.06 -0.18 -6.64 -1.26 -4.94 119.36 107.20 3kir n ILE 134 Ca 0.33 -2.77 -0.12 0.00 -1.77 0.00 0.00 62.75 58.41 3kir n ILE 134 Cb 1.23 1.00 -0.06 0.00 -1.44 0.00 0.00 39.64 40.37 3kir n ILE 134 CO 0.00 0.00 0.00 0.45 -1.77 0.00 0.00 176.55 175.23 3kir h HIS 135 N 2.64 0.41 -0.38 4.28 -0.00 -1.86 -3.25 115.15 116.98 3kir h HIS 135 Ca -0.15 -0.10 0.00 0.00 -0.00 0.00 0.00 60.37 60.12 3kir h HIS 135 Cb 1.24 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 28.55 3kir h HIS 135 CO 0.44 0.66 0.00 0.54 -0.00 0.00 0.00 177.93 179.57 3kir n ARG 136 N -4.62 3.66 -1.67 2.45 1.74 -1.26 -0.16 116.66 116.79 3kir n ARG 136 Ca -0.05 -2.96 -0.31 0.00 -0.77 0.00 0.00 57.85 53.76 3kir n ARG 136 Cb 0.30 -2.00 0.04 0.00 -1.02 0.00 0.00 32.46 29.79 3kir n ARG 136 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 3kir s HIS 137 N -2.78 3.26 -0.30 -1.55 3.76 -1.23 -4.75 115.29 111.71 3kir s HIS 137 Ca 0.47 1.34 0.27 0.00 -0.15 0.00 0.00 55.06 56.99 3kir s HIS 137 Cb 0.37 -2.86 0.87 0.00 1.11 0.00 0.00 32.58 32.07 3kir s HIS 137 CO 0.12 -1.10 1.78 -1.00 -0.85 0.00 0.00 174.74 173.69 3kir h PRO 138 N -0.62 0.00 0.00 8.40 0.13 -1.94 -3.37 132.00 134.60 3kir h PRO 138 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 3kir h PRO 138 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3kir h PRO 138 CO 0.59 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.77 3kir n GLY 139 N 0.60 0.56 3.87 1.56 0.00 -1.26 -4.87 105.19 105.64 3kir n GLY 139 Ca 0.03 -1.12 -0.31 0.00 0.00 0.00 0.00 46.02 44.62 3kir n GLY 139 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kir s SER 140 N -4.00 6.45 0.00 1.61 0.15 -1.26 -4.99 113.70 111.66 3kir s SER 140 Ca 0.00 1.35 0.00 0.00 0.70 0.00 0.00 55.95 58.00 3kir s SER 140 Cb 0.00 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 61.89 3kir s SER 140 CO 0.00 -0.62 0.14 2.30 1.20 0.00 0.00 173.24 176.25 3kir n ILE 141 N -1.93 0.00 -2.72 6.45 -5.35 -1.26 -5.12 119.36 109.43 3kir n ILE 141 Ca 0.05 -0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 3kir n ILE 141 Cb 0.54 1.68 0.00 0.00 -1.74 0.00 0.00 39.64 40.12 3kir n ILE 141 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kir n GLY 142 N 0.01 3.87 0.00 3.28 0.00 -1.26 -4.74 105.19 106.36 3kir n GLY 142 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.87 3kir n GLY 142 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3kir n ASN 143 N -0.43 0.00 0.00 1.61 5.03 -1.26 -5.14 115.26 115.06 3kir n ASN 143 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 3kir n ASN 143 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 3kir n ASN 143 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3kir n ARG 144 N 0.00 0.00 -0.10 3.52 5.12 -1.26 -4.98 116.66 118.96 3kir n ARG 144 Ca 0.00 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.91 3kir n ARG 144 Cb 0.00 0.00 0.24 0.00 -1.16 0.00 0.00 32.46 31.54 3kir n ARG 144 CO 0.00 0.00 0.00 0.87 -1.93 0.00 0.00 177.63 176.57 3kir h LYS 145 N 0.00 0.75 -5.31 5.56 1.79 -2.02 -3.10 116.57 114.24 3kir h LYS 145 Ca 0.00 -0.14 -0.67 0.00 -2.18 0.00 0.00 60.65 57.66 3kir h LYS 145 Cb 0.00 -0.12 -0.31 0.00 -1.58 0.00 0.00 32.23 30.22 3kir h LYS 145 CO 0.00 0.66 -0.84 0.95 -1.08 0.00 0.00 179.45 179.15 3kir s THR 146 N -5.22 2.40 0.00 -0.16 -4.23 -1.26 -2.59 115.64 104.58 3kir s THR 146 Ca -0.09 -0.89 0.23 0.00 -1.18 0.00 0.00 61.69 59.76 3kir s THR 146 Cb 0.16 -1.96 0.23 0.00 1.34 0.00 0.00 72.50 72.27 3kir s THR 146 CO 0.79 0.54 1.74 1.55 -0.54 0.00 0.00 174.62 178.70 3kir h PRO 147 N 6.80 0.00 -0.27 3.99 0.13 -1.96 -3.44 132.00 137.25 3kir h PRO 147 Ca -0.23 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.89 3kir h PRO 147 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 3kir h PRO 147 CO 0.51 0.22 -0.01 0.41 -0.23 0.00 0.00 178.00 178.91 3kir n GLY 148 N 0.46 0.49 3.84 1.56 0.00 -1.07 -5.03 105.19 105.44 3kir n GLY 148 Ca 0.01 -0.83 -0.06 0.00 0.00 0.00 0.00 46.02 45.13 3kir n GLY 148 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3kir s ARG 149 N -4.24 1.71 -0.13 1.61 1.70 -1.26 -5.06 118.95 113.28 3kir s ARG 149 Ca 0.00 -0.95 -0.03 0.00 -0.47 0.00 0.00 55.73 54.28 3kir s ARG 149 Cb -0.00 0.58 -0.03 0.00 -0.57 0.00 0.00 34.95 34.93 3kir s ARG 149 CO 0.00 -0.78 -0.00 0.08 -1.08 0.00 0.00 175.30 173.52 3kir s VAL 150 N -3.82 4.26 0.30 4.99 1.01 -1.26 -4.77 120.40 121.12 3kir s VAL 150 Ca 0.11 -0.24 -0.29 0.00 0.00 0.00 0.00 61.98 61.56 3kir s VAL 150 Cb -0.05 -2.84 -0.13 0.00 0.00 0.00 0.00 36.38 33.36 3kir s VAL 150 CO 0.06 0.54 1.29 -1.22 0.00 0.00 0.00 175.10 175.77 3kir n TYR 151 N 2.85 2.08 -2.15 5.22 4.01 -1.26 -4.92 117.16 122.98 3kir n TYR 151 Ca -0.18 0.54 -0.42 0.00 -0.16 0.00 0.00 57.90 57.68 3kir n TYR 151 Cb 0.53 -2.40 -0.03 0.00 -0.31 0.00 0.00 39.34 37.13 3kir n TYR 151 CO 0.00 0.00 0.00 0.21 -0.46 0.00 0.00 176.86 176.61 3kir s LYS 152 N -1.32 4.34 0.00 -0.72 2.47 -1.26 -2.25 119.74 121.00 3kir s LYS 152 Ca 0.60 2.12 0.00 0.00 -1.56 0.00 0.00 55.97 57.13 3kir s LYS 152 Cb -0.62 -3.19 0.00 0.00 -1.46 0.00 0.00 37.83 32.56 3kir s LYS 152 CO 0.58 -0.34 0.00 0.41 0.16 0.00 0.00 175.35 176.16 3kir n GLY 153 N 2.64 0.79 3.68 5.54 0.00 -1.26 -5.02 105.19 111.56 3kir n GLY 153 Ca 0.08 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.65 3kir n GLY 153 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kir n LYS 154 N -2.15 2.41 -2.10 1.61 3.00 -0.95 -4.87 118.16 115.11 3kir n LYS 154 Ca 0.00 0.87 -0.43 0.00 -0.00 0.00 0.00 58.31 58.76 3kir n LYS 154 Cb 0.00 -2.70 -0.03 0.00 0.00 0.00 0.00 35.03 32.30 3kir n LYS 154 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3kir s LYS 155 N 1.90 4.00 0.24 1.64 1.02 -1.26 -4.95 119.74 122.33 3kir s LYS 155 Ca 0.81 1.89 0.00 0.00 0.02 0.00 0.00 55.97 58.70 3kir s LYS 155 Cb -0.60 -3.99 -0.03 0.00 -0.52 0.00 0.00 37.83 32.69 3kir s LYS 155 CO 0.39 -1.04 0.20 -1.64 -0.92 0.00 0.00 175.35 172.34 3kir s MET 156 N 4.28 1.38 0.76 1.68 -1.94 -1.26 -5.07 119.30 119.13 3kir s MET 156 Ca 0.71 -1.70 -0.13 0.00 -1.71 0.00 0.00 55.69 52.86 3kir s MET 156 Cb -0.28 0.30 0.05 0.00 2.01 0.00 0.00 34.83 36.91 3kir s MET 156 CO 0.28 -0.48 1.13 0.00 -0.01 0.00 0.00 175.02 175.94 3kir s ALA 157 N -3.94 2.13 0.00 3.03 0.00 -1.26 -4.75 121.76 116.97 3kir s ALA 157 Ca 0.38 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.89 3kir s ALA 157 Cb 0.05 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.80 3kir s ALA 157 CO 0.16 -1.85 0.00 0.41 0.00 0.00 0.00 175.76 174.48 3kir n GLY 158 N -0.36 -1.81 3.70 0.00 0.00 0.05 -4.96 105.19 101.81 3kir n GLY 158 Ca 0.11 -1.17 -0.42 0.00 0.00 0.00 0.00 46.02 44.53 3kir n GLY 158 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3kir n HIS 159 N 3.75 2.69 -4.07 1.61 -0.00 -1.26 0.57 115.22 118.52 3kir n HIS 159 Ca 0.00 -0.06 -0.25 0.00 -0.00 0.00 0.00 57.72 57.41 3kir n HIS 159 Cb 0.00 -2.71 -0.17 0.00 -0.00 0.00 0.00 29.99 27.12 3kir n HIS 159 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.34 175.87 3kir s TYR 160 N 1.96 1.36 0.00 1.57 6.04 0.48 -4.83 117.35 123.92 3kir s TYR 160 Ca 0.79 -0.61 0.00 0.00 0.04 0.00 0.00 57.07 57.29 3kir s TYR 160 Cb -0.49 -1.12 0.00 0.00 -1.04 0.00 0.00 41.96 39.31 3kir s TYR 160 CO 0.35 -0.42 0.00 0.41 -1.54 0.00 0.00 175.55 174.35 3kir n GLY 161 N 4.63 -1.81 3.83 8.97 0.00 -1.26 0.28 105.19 119.83 3kir n GLY 161 Ca -0.15 -1.91 -0.26 0.00 0.00 0.00 0.00 46.02 43.70 3kir n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kir n ALA 162 N 0.22 -1.70 -2.40 4.61 0.00 0.09 -4.72 120.51 116.60 3kir n ALA 162 Ca 0.00 -0.03 -0.21 0.00 0.00 0.00 0.00 53.44 53.20 3kir n ALA 162 Cb 0.00 -2.95 -0.09 0.00 0.00 0.00 0.00 19.45 16.41 3kir n ALA 162 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3kir s GLU 163 N -6.32 1.69 -0.10 0.00 -1.05 -1.23 -4.84 118.70 106.85 3kir s GLU 163 Ca 0.29 -1.98 -0.30 0.00 -0.15 0.00 0.00 54.97 52.83 3kir s GLU 163 Cb -0.14 -0.38 -0.02 0.00 -0.44 0.00 0.00 34.13 33.15 3kir s GLU 163 CO 0.83 -0.40 1.06 0.50 0.95 0.00 0.00 175.26 178.19 3kir s ARG 164 N -3.81 4.40 -0.02 -4.83 3.52 -1.26 0.16 118.95 117.11 3kir s ARG 164 Ca 0.33 1.46 0.01 0.00 -0.13 0.00 0.00 55.73 57.39 3kir s ARG 164 Cb 0.05 -3.55 0.01 0.00 -1.56 0.00 0.00 34.95 29.90 3kir s ARG 164 CO 0.16 -0.37 -0.02 0.08 -0.81 0.00 0.00 175.30 174.34 3kir s VAL 165 N 2.14 0.25 -0.16 7.11 1.01 0.65 -4.90 120.40 126.50 3kir s VAL 165 Ca 0.50 -0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.46 3kir s VAL 165 Cb -0.20 -0.28 0.02 0.00 0.00 0.00 0.00 36.38 35.92 3kir s VAL 165 CO 0.18 0.12 -0.20 -0.89 0.00 0.00 0.00 175.10 174.32 3kir s THR 166 N 0.54 1.97 -0.16 3.92 2.01 -1.26 -0.30 115.64 122.36 3kir s THR 166 Ca -0.05 -0.90 -0.10 0.00 0.31 0.00 0.00 61.69 60.95 3kir s THR 166 Cb -0.09 -1.78 -0.05 0.00 0.01 0.00 0.00 72.50 70.60 3kir s THR 166 CO -0.01 0.53 0.18 0.54 -0.69 0.00 0.00 174.62 175.17 3kir s VAL 167 N 1.16 5.40 0.41 3.82 0.11 -0.19 -4.93 120.40 126.17 3kir s VAL 167 Ca 0.01 0.29 0.08 0.00 -2.93 0.00 0.00 61.98 59.43 3kir s VAL 167 Cb -0.14 -3.49 -0.00 0.00 -1.53 0.00 0.00 36.38 31.22 3kir s VAL 167 CO -0.09 0.49 0.48 -0.04 -3.33 0.00 0.00 175.10 172.61 3kir s MET 168 N -0.07 2.72 -1.67 1.54 -1.94 -1.26 -1.53 119.30 117.09 3kir s MET 168 Ca 0.12 -1.35 -0.15 0.00 -1.71 0.00 0.00 55.69 52.61 3kir s MET 168 Cb -0.12 -2.60 0.13 0.00 2.01 0.00 0.00 34.83 34.25 3kir s MET 168 CO 0.01 -0.21 0.61 -1.71 -0.01 0.00 0.00 175.02 173.71 3kir n ASN 169 N -1.71 -2.12 -4.82 3.03 4.05 -1.06 -4.93 115.26 107.70 3kir n ASN 169 Ca 0.06 -1.08 -0.34 0.00 0.45 0.00 0.00 54.58 53.67 3kir n ASN 169 Cb 0.60 -2.49 -0.06 0.00 1.23 0.00 0.00 39.78 39.06 3kir n ASN 169 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3kir s LEU 170 N -7.23 4.11 0.07 1.20 1.02 0.31 -4.74 118.68 113.43 3kir s LEU 170 Ca 0.56 1.50 -0.23 0.00 0.02 0.00 0.00 54.13 55.98 3kir s LEU 170 Cb -0.31 -4.12 -0.06 0.00 0.02 0.00 0.00 46.19 41.71 3kir s LEU 170 CO 0.95 -0.19 0.70 -0.70 0.02 0.00 0.00 176.35 177.13 3kir s GLU 171 N -2.73 4.43 -0.75 1.70 2.12 -1.26 -0.04 118.70 122.17 3kir s GLU 171 Ca 0.54 0.97 -0.24 0.00 0.36 0.00 0.00 54.97 56.60 3kir s GLU 171 Cb -0.12 -3.31 0.06 0.00 0.26 0.00 0.00 34.13 31.01 3kir s GLU 171 CO 0.18 0.43 1.16 0.08 -0.54 0.00 0.00 175.26 176.56 3kir s VAL 172 N -0.52 4.05 0.17 3.70 1.01 0.87 -2.04 120.40 127.64 3kir s VAL 172 Ca 0.35 -0.16 -0.15 0.00 0.00 0.00 0.00 61.98 62.02 3kir s VAL 172 Cb -0.21 -4.83 0.04 0.00 0.00 0.00 0.00 36.38 31.39 3kir s VAL 172 CO 0.22 -1.68 1.82 0.58 0.00 0.00 0.00 175.10 176.04 3kir h VAL 173 N 6.07 1.09 -3.12 2.92 2.07 -0.39 -1.84 116.25 123.05 3kir h VAL 173 Ca -0.20 -0.21 -0.11 0.00 0.82 0.00 0.00 66.70 67.00 3kir h VAL 173 Cb 1.05 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 3kir h VAL 173 CO 1.24 0.11 0.06 -0.67 0.02 0.00 0.00 177.57 178.33 3kir n ASP 174 N -4.79 -1.42 -3.36 0.57 4.64 -1.09 -4.73 116.55 106.36 3kir n ASP 174 Ca 0.02 -2.33 0.02 0.00 -1.38 0.00 0.00 54.79 51.13 3kir n ASP 174 Cb 0.04 2.47 -0.03 0.00 -1.04 0.00 0.00 41.12 42.56 3kir n ASP 174 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3kir s VAL 175 N -2.51 -0.78 -0.99 5.18 0.11 -1.26 -1.87 120.40 118.27 3kir s VAL 175 Ca 0.17 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 59.12 3kir s VAL 175 Cb -0.02 -1.00 0.25 0.00 -1.53 0.00 0.00 36.38 34.08 3kir s VAL 175 CO 0.12 0.00 0.96 -0.63 -3.33 0.00 0.00 175.10 172.22 3kir s ILE 176 N 2.79 5.71 0.32 7.04 1.01 -1.00 -4.89 121.20 132.17 3kir s ILE 176 Ca 0.04 -3.15 0.10 0.00 0.00 0.00 0.00 60.65 57.64 3kir s ILE 176 Cb -0.11 -4.47 0.32 0.00 0.01 0.00 0.00 42.46 38.21 3kir s ILE 176 CO -0.18 -1.12 1.73 1.55 0.00 0.00 0.00 174.94 176.92 3kir h PRO 177 N 6.98 0.56 -0.80 2.79 0.13 -1.95 -1.55 132.00 138.17 3kir h PRO 177 Ca 0.15 -0.03 0.07 0.00 -0.87 0.00 0.00 66.00 65.32 3kir h PRO 177 Cb 0.92 -0.13 -0.10 0.00 0.13 0.00 0.00 31.00 31.83 3kir h PRO 177 CO 0.91 0.37 -0.50 1.49 -0.23 0.00 0.00 178.00 180.04 3kir h GLU 178 N 0.58 -0.03 -0.62 0.86 4.57 -1.95 -2.45 114.58 115.54 3kir h GLU 178 Ca 0.64 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.82 3kir h GLU 178 Cb 1.24 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 3kir h GLU 178 CO -0.46 -0.02 0.00 -1.91 -1.18 0.00 0.00 179.01 175.43 3kir n GLU 179 N -4.92 3.46 -1.44 1.92 4.07 -0.78 -4.94 120.64 118.02 3kir n GLU 179 Ca 0.01 -2.78 -0.13 0.00 -0.06 0.00 0.00 57.16 54.20 3kir n GLU 179 Cb 0.23 -1.78 -0.05 0.00 -0.06 0.00 0.00 31.44 29.77 3kir n GLU 179 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 3kir n ASN 180 N 1.08 -4.55 -4.88 4.31 3.02 -0.65 -4.95 115.26 108.64 3kir n ASN 180 Ca 0.24 0.30 -0.30 0.00 -0.03 0.00 0.00 54.58 54.79 3kir n ASN 180 Cb 0.81 -3.24 -0.00 0.00 -0.61 0.00 0.00 39.78 36.74 3kir n ASN 180 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kir s LEU 181 N -3.03 3.46 -0.04 3.41 1.02 -0.93 -1.82 118.68 120.74 3kir s LEU 181 Ca 0.00 1.27 -0.03 0.00 0.02 0.00 0.00 54.13 55.39 3kir s LEU 181 Cb 0.00 -4.26 0.02 0.00 0.02 0.00 0.00 46.19 41.97 3kir s LEU 181 CO 0.00 -0.70 0.10 -0.22 0.02 0.00 0.00 176.35 175.55 3kir s LEU 182 N -4.77 1.37 -0.16 1.79 2.96 -0.00 -2.39 118.68 117.48 3kir s LEU 182 Ca 0.53 0.20 0.02 0.00 -0.22 0.00 0.00 54.13 54.66 3kir s LEU 182 Cb -0.11 0.29 0.02 0.00 0.50 0.00 0.00 46.19 46.89 3kir s LEU 182 CO 0.46 -0.07 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.45 3kir s LEU 183 N 0.41 2.12 0.19 -0.68 1.02 -0.78 -1.39 118.68 119.55 3kir s LEU 183 Ca -0.03 -0.63 0.10 0.00 0.02 0.00 0.00 54.13 53.59 3kir s LEU 183 Cb -0.04 -1.46 -0.04 0.00 0.02 0.00 0.00 46.19 44.66 3kir s LEU 183 CO -0.02 0.03 -0.21 0.68 0.02 0.00 0.00 176.35 176.86 3kir s VAL 184 N 1.08 2.11 -0.24 -1.59 -7.23 -1.12 0.38 120.40 113.78 3kir s VAL 184 Ca -0.00 -2.01 -0.29 0.00 -1.81 0.00 0.00 61.98 57.87 3kir s VAL 184 Cb -0.14 -2.00 -0.33 0.00 0.56 0.00 0.00 36.38 34.47 3kir s VAL 184 CO -0.08 -0.23 1.70 0.29 -0.31 0.00 0.00 175.10 176.47 3kir n LYS 185 N 0.21 0.28 -0.21 4.82 4.76 -0.86 -0.64 118.16 126.52 3kir n LYS 185 Ca -0.12 -1.23 0.00 0.00 -2.87 0.00 0.00 58.31 54.09 3kir n LYS 185 Cb 0.57 -2.72 0.00 0.00 -1.84 0.00 0.00 35.03 31.04 3kir n LYS 185 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3kir n GLY 186 N 5.04 0.00 1.52 0.72 0.00 -0.22 -4.84 105.19 107.42 3kir n GLY 186 Ca 0.47 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.49 3kir n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kir n ALA 187 N -1.13 -3.00 -3.61 4.61 0.00 -1.26 -4.83 120.51 111.29 3kir n ALA 187 Ca 0.00 0.02 -0.20 0.00 0.00 0.00 0.00 53.44 53.26 3kir n ALA 187 Cb 0.00 -0.06 -0.16 0.00 0.00 0.00 0.00 19.45 19.22 3kir n ALA 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kir s VAL 188 N -0.88 0.58 1.01 0.00 0.11 -1.26 -4.97 120.40 114.99 3kir s VAL 188 Ca 0.00 -0.15 -0.21 0.00 -2.93 0.00 0.00 61.98 58.70 3kir s VAL 188 Cb -0.00 -0.60 -0.10 0.00 -1.53 0.00 0.00 36.38 34.15 3kir s VAL 188 CO 0.01 0.23 -0.79 -0.81 -3.33 0.00 0.00 175.10 170.41 3kir n PRO 189 N 4.02 -0.30 -0.42 1.54 -0.04 -1.26 -4.89 135.00 133.65 3kir n PRO 189 Ca -0.25 -0.08 0.05 0.00 -0.04 0.00 0.00 63.50 63.18 3kir n PRO 189 Cb 0.51 -1.23 -0.03 0.00 -0.04 0.00 0.00 33.50 32.71 3kir n PRO 189 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kir n GLY 190 N 2.99 -2.63 3.93 0.55 0.00 -1.20 -4.69 105.19 104.14 3kir n GLY 190 Ca -0.00 -1.35 -0.27 0.00 0.00 0.00 0.00 46.02 44.39 3kir n GLY 190 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kir s PRO 191 N -3.07 1.74 0.46 1.61 0.04 -1.26 -4.85 135.00 129.68 3kir s PRO 191 Ca 0.00 -0.28 -0.23 0.00 0.04 0.00 0.00 61.00 60.53 3kir s PRO 191 Cb 0.00 -2.06 -0.07 0.00 0.04 0.00 0.00 34.50 32.41 3kir s PRO 191 CO 0.00 -1.61 1.19 -0.80 0.04 0.00 0.00 177.00 175.82 3kir s ASN 192 N -4.64 6.09 -0.13 6.66 0.02 -1.26 -2.58 114.94 119.10 3kir s ASN 192 Ca 0.64 2.38 0.00 0.00 -1.02 0.00 0.00 52.86 54.86 3kir s ASN 192 Cb -0.09 -2.61 0.00 0.00 0.02 0.00 0.00 41.25 38.57 3kir s ASN 192 CO 0.48 -0.98 0.00 0.61 0.02 0.00 0.00 177.10 177.23 3kir n GLY 193 N 0.50 0.50 3.81 0.66 0.00 0.31 -4.99 105.19 105.98 3kir n GLY 193 Ca 0.07 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 3kir n GLY 193 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kir s GLY 194 N -2.56 2.07 0.40 -0.02 0.00 -1.07 -4.90 107.32 101.24 3kir s GLY 194 Ca 0.00 -0.96 -0.25 0.00 0.00 0.00 0.00 44.72 43.51 3kir s GLY 194 CO 0.00 -0.93 1.12 -2.27 0.00 0.00 0.00 173.10 171.02 3kir s LEU 195 N -2.38 4.19 -0.04 0.66 2.96 -1.26 -1.34 118.68 121.47 3kir s LEU 195 Ca 0.30 2.23 -0.15 0.00 -0.22 0.00 0.00 54.13 56.29 3kir s LEU 195 Cb -0.12 -4.07 0.03 0.00 0.50 0.00 0.00 46.19 42.53 3kir s LEU 195 CO 0.23 -0.59 0.33 0.68 -1.32 0.00 0.00 176.35 175.68 3kir s VAL 196 N -1.49 0.04 -0.07 1.68 -7.23 -0.72 -4.33 120.40 108.28 3kir s VAL 196 Ca 0.57 -0.35 0.04 0.00 -1.81 0.00 0.00 61.98 60.42 3kir s VAL 196 Cb -0.27 -0.59 -0.02 0.00 0.56 0.00 0.00 36.38 36.05 3kir s VAL 196 CO 0.34 -0.19 -0.19 0.27 -0.31 0.00 0.00 175.10 175.02 3kir s ILE 197 N -0.97 2.62 -0.39 -0.62 -4.36 -1.07 0.53 121.20 116.95 3kir s ILE 197 Ca -0.10 -0.86 -0.01 0.00 -0.26 0.00 0.00 60.65 59.41 3kir s ILE 197 Cb -0.04 -2.01 0.11 0.00 1.25 0.00 0.00 42.46 41.76 3kir s ILE 197 CO 0.03 0.57 0.16 -0.69 0.24 0.00 0.00 174.94 175.26 3kir s VAL 198 N -0.29 3.07 0.34 8.37 1.01 0.32 -1.77 120.40 131.47 3kir s VAL 198 Ca 0.01 -2.08 -0.01 0.00 0.00 0.00 0.00 61.98 59.90 3kir s VAL 198 Cb -0.13 -3.12 0.07 0.00 0.00 0.00 0.00 36.38 33.20 3kir s VAL 198 CO 0.03 -0.65 0.47 0.54 0.00 0.00 0.00 175.10 175.49 3kir n ARG 199 N 4.53 0.17 -4.30 2.72 1.74 -0.94 -1.76 116.66 118.81 3kir n ARG 199 Ca -0.01 -1.18 -0.34 0.00 -0.77 0.00 0.00 57.85 55.54 3kir n ARG 199 Cb 0.42 -0.34 -0.12 0.00 -1.02 0.00 0.00 32.46 31.40 3kir n ARG 199 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 3kir s GLU 200 N -3.70 3.71 1.00 5.56 2.12 -1.26 -2.43 118.70 123.70 3kir s GLU 200 Ca 0.30 -0.49 -0.17 0.00 0.36 0.00 0.00 54.97 54.97 3kir s GLU 200 Cb -0.02 -2.98 -0.05 0.00 0.26 0.00 0.00 34.13 31.34 3kir s GLU 200 CO 0.20 0.22 -0.34 -2.37 -0.54 0.00 0.00 175.26 172.43 3kir n THR 201 N 3.63 0.00 -4.79 -1.70 5.66 -1.04 -4.65 114.28 111.38 3kir n THR 201 Ca -0.17 -0.30 -0.33 0.00 -3.05 0.00 0.00 64.05 60.20 3kir n THR 201 Cb 0.52 -0.31 -0.14 0.00 -1.55 0.00 0.00 70.33 68.86 3kir n THR 201 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 3kir s LYS 202 N -2.79 3.12 0.00 1.09 3.01 -1.26 -4.77 119.74 118.13 3kir s LYS 202 Ca 0.48 -0.68 0.00 0.00 -1.01 0.00 0.00 55.97 54.76 3kir s LYS 202 Cb -0.15 -2.57 0.00 0.00 -1.01 0.00 0.00 37.83 34.10 3kir s LYS 202 CO 0.73 0.35 0.00 0.36 0.51 0.00 0.00 175.35 177.30 3kir n LYS 203 N 3.12 0.00 0.00 1.68 -0.00 -1.26 -4.92 118.16 116.78 3kir n LYS 203 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.13 3kir n LYS 203 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.56 3kir n LYS 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40