#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kir n LYS 3 N 0.00 1.48 -3.33 0.54 0.00 -1.26 -5.08 118.16 110.51 3kir n LYS 3 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 58.31 58.17 3kir n LYS 3 Cb 0.00 -0.99 -0.04 0.00 0.00 0.00 0.00 35.03 34.00 3kir n LYS 3 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 3kir n HIS 4 N -2.30 0.16 -3.50 5.64 8.25 -1.26 -5.18 115.22 117.03 3kir n HIS 4 Ca 0.00 -1.42 -0.20 0.00 -0.26 0.00 0.00 57.72 55.84 3kir n HIS 4 Cb 0.49 -0.03 -0.02 0.00 1.12 0.00 0.00 29.99 31.55 3kir n HIS 4 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3kir s GLY 5 N -2.39 2.05 0.03 -1.41 0.00 -1.26 -5.02 107.32 99.32 3kir s GLY 5 Ca 0.10 -1.81 -0.08 0.00 0.00 0.00 0.00 44.72 42.93 3kir s GLY 5 CO 0.07 -1.64 0.99 1.70 0.00 0.00 0.00 173.10 174.21 3kir h LYS 6 N 0.99 0.35 -0.34 2.90 3.11 -2.02 -0.15 116.57 121.40 3kir h LYS 6 Ca -0.42 -0.60 0.10 0.00 -2.81 0.00 0.00 60.65 56.92 3kir h LYS 6 Cb 1.27 0.22 -0.01 0.00 -1.00 0.00 0.00 32.23 32.71 3kir h LYS 6 CO 0.55 1.26 0.48 -0.09 -2.81 0.00 0.00 179.45 178.85 3kir h ARG 7 N 0.10 0.00 0.02 1.90 2.43 -1.96 0.60 114.38 117.45 3kir h ARG 7 Ca -0.21 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.59 3kir h ARG 7 Cb 2.05 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 31.54 3kir h ARG 7 CO 0.21 0.00 -2.25 0.98 -1.51 0.00 0.00 179.97 177.40 3kir n TYR 8 N -3.45 0.34 0.27 2.20 9.36 -1.18 -4.29 117.16 120.40 3kir n TYR 8 Ca 0.06 0.10 0.17 0.00 3.32 0.00 0.00 57.90 61.54 3kir n TYR 8 Cb 0.63 -1.05 0.86 0.00 -0.63 0.00 0.00 39.34 39.14 3kir n TYR 8 CO 0.00 0.00 0.00 -0.09 0.22 0.00 0.00 176.86 176.99 3kir h ARG 9 N 0.01 0.00 0.00 2.98 2.43 0.21 -0.74 114.38 119.27 3kir h ARG 9 Ca -0.50 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 58.58 3kir h ARG 9 Cb 2.08 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.61 3kir h ARG 9 CO 0.01 0.00 -1.23 0.00 -1.51 0.00 0.00 179.97 177.24 3kir n ALA 10 N -1.93 2.21 0.20 2.80 0.00 -0.51 -3.81 120.51 119.47 3kir n ALA 10 Ca -0.02 -0.40 0.08 0.00 0.00 0.00 0.00 53.44 53.11 3kir n ALA 10 Cb 0.09 -1.03 0.33 0.00 0.00 0.00 0.00 19.45 18.84 3kir n ALA 10 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3kir h LEU 11 N 0.00 0.00 0.00 0.00 3.38 -1.32 -2.91 115.31 114.45 3kir h LEU 11 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3kir h LEU 11 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 3kir h LEU 11 CO 0.02 0.30 0.00 0.18 0.09 0.00 0.00 178.44 179.03 3kir n LEU 12 N -3.36 0.00 0.06 1.67 4.77 -1.16 -2.99 117.00 115.99 3kir n LEU 12 Ca 0.01 0.09 -0.01 0.00 -0.03 0.00 0.00 56.01 56.07 3kir n LEU 12 Cb 0.52 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.45 3kir n LEU 12 CO 0.35 -0.04 -0.06 -0.33 -1.33 0.00 0.00 177.39 175.98 3kir h GLU 13 N 0.00 0.00 -1.30 3.23 4.39 -1.73 -3.37 114.58 115.81 3kir h GLU 13 Ca 0.00 0.00 -0.61 0.00 0.34 0.00 0.00 59.36 59.09 3kir h GLU 13 Cb 0.05 0.00 -0.39 0.00 -0.10 0.00 0.00 28.75 28.31 3kir h GLU 13 CO 0.00 0.42 -0.38 1.63 -1.16 0.00 0.00 179.01 179.53 3kir n LYS 14 N -3.03 3.33 -3.29 2.33 4.01 -1.16 -4.91 118.16 115.44 3kir n LYS 14 Ca -0.06 -4.17 -0.08 0.00 -0.51 0.00 0.00 58.31 53.49 3kir n LYS 14 Cb 0.84 -2.27 -0.05 0.00 -0.51 0.00 0.00 35.03 33.04 3kir n LYS 14 CO 0.00 0.00 0.00 0.14 -1.11 0.00 0.00 177.40 176.43 3kir s VAL 15 N -5.13 -0.66 -0.11 -0.18 -7.23 -1.26 -5.09 120.40 100.75 3kir s VAL 15 Ca 0.51 -0.35 -0.31 0.00 -1.81 0.00 0.00 61.98 60.02 3kir s VAL 15 Cb 0.42 -0.83 -0.09 0.00 0.56 0.00 0.00 36.38 36.44 3kir s VAL 15 CO -0.13 -0.28 2.06 -0.67 -0.31 0.00 0.00 175.10 175.77 3kir n ASP 16 N 5.07 3.53 0.00 4.85 2.03 -1.26 -4.83 116.55 125.94 3kir n ASP 16 Ca 0.04 0.64 0.00 0.00 0.52 0.00 0.00 54.79 55.99 3kir n ASP 16 Cb 0.50 -1.48 0.00 0.00 -0.72 0.00 0.00 41.12 39.42 3kir n ASP 16 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3kir n PRO 17 N 7.81 0.00 -2.76 -0.67 -0.04 -1.26 -2.98 135.00 135.10 3kir n PRO 17 Ca 0.26 0.34 -0.09 0.00 -0.04 0.00 0.00 63.50 63.97 3kir n PRO 17 Cb 0.38 -1.63 0.06 0.00 -0.04 0.00 0.00 33.50 32.28 3kir n PRO 17 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 3kir n ASN 18 N -1.34 -0.46 -4.08 3.54 6.94 -1.26 -5.08 115.26 113.52 3kir n ASN 18 Ca 0.00 -2.80 -0.21 0.00 -0.02 0.00 0.00 54.58 51.55 3kir n ASN 18 Cb 0.13 0.40 -0.15 0.00 -2.36 0.00 0.00 39.78 37.80 3kir n ASN 18 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 3kir s LYS 19 N -1.28 1.02 -0.51 -3.83 2.36 -1.16 -5.11 119.74 111.24 3kir s LYS 19 Ca 0.26 -0.45 -0.24 0.00 -2.55 0.00 0.00 55.97 52.99 3kir s LYS 19 Cb 0.40 -0.99 0.04 0.00 -1.05 0.00 0.00 37.83 36.23 3kir s LYS 19 CO -0.04 0.27 0.88 0.08 1.55 0.00 0.00 175.35 178.09 3kir s VAL 20 N -0.29 4.50 0.30 4.02 1.01 -1.26 -4.50 120.40 124.17 3kir s VAL 20 Ca 0.05 0.32 -0.02 0.00 0.00 0.00 0.00 61.98 62.32 3kir s VAL 20 Cb -0.05 -4.46 -0.04 0.00 0.00 0.00 0.00 36.38 31.83 3kir s VAL 20 CO -0.00 -0.96 0.53 -0.31 0.00 0.00 0.00 175.10 174.35 3kir s TYR 21 N 3.67 3.49 0.45 5.22 1.51 -0.07 -4.86 117.35 126.76 3kir s TYR 21 Ca 0.30 0.49 0.04 0.00 -1.01 0.00 0.00 57.07 56.89 3kir s TYR 21 Cb -0.13 -1.99 0.08 0.00 -0.11 0.00 0.00 41.96 39.82 3kir s TYR 21 CO 0.20 0.18 0.62 0.25 -1.11 0.00 0.00 175.55 175.70 3kir n THR 22 N -1.20 0.00 1.15 -0.71 -2.24 -1.26 -1.41 114.28 108.60 3kir n THR 22 Ca -0.03 -1.25 0.13 0.00 -2.27 0.00 0.00 64.05 60.63 3kir n THR 22 Cb 0.55 -0.82 0.48 0.00 -2.10 0.00 0.00 70.33 68.43 3kir n THR 22 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3kir n ILE 23 N -2.12 0.00 -0.07 2.28 5.41 -1.24 -0.78 119.36 122.85 3kir n ILE 23 Ca 0.12 -0.03 -0.08 0.00 1.00 0.00 0.00 62.75 63.76 3kir n ILE 23 Cb 0.42 -0.06 -0.11 0.00 -0.71 0.00 0.00 39.64 39.17 3kir n ILE 23 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3kir n ASP 24 N -1.26 1.59 0.08 4.38 8.00 -1.26 -3.35 116.55 124.73 3kir n ASP 24 Ca 0.09 -0.01 -0.14 0.00 0.71 0.00 0.00 54.79 55.44 3kir n ASP 24 Cb 0.32 0.71 -0.14 0.00 -0.02 0.00 0.00 41.12 41.99 3kir n ASP 24 CO 0.00 0.00 0.00 -0.08 -0.39 0.00 0.00 177.20 176.73 3kir h GLU 25 N 0.00 0.20 0.00 -1.24 4.81 -1.95 -3.37 114.58 113.02 3kir h GLU 25 Ca -0.39 -0.33 -0.09 0.00 -0.13 0.00 0.00 59.36 58.42 3kir h GLU 25 Cb 1.86 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 31.34 3kir h GLU 25 CO 0.01 1.11 -1.96 0.00 -0.73 0.00 0.00 179.01 177.43 3kir n ALA 26 N -2.53 2.39 0.29 2.92 0.00 0.04 -4.04 120.51 119.58 3kir n ALA 26 Ca -0.09 -0.65 0.17 0.00 0.00 0.00 0.00 53.44 52.87 3kir n ALA 26 Cb 1.01 -0.51 0.69 0.00 0.00 0.00 0.00 19.45 20.64 3kir n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kir h ALA 27 N 1.50 1.00 0.00 0.00 0.00 -1.69 -1.53 119.26 118.54 3kir h ALA 27 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3kir h ALA 27 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3kir h ALA 27 CO 0.01 0.00 -1.62 2.89 0.00 0.00 0.00 179.25 180.52 3kir n ARG 28 N -3.05 0.44 0.00 0.00 1.85 -1.26 -3.92 116.66 110.72 3kir n ARG 28 Ca 0.01 -0.12 0.12 0.00 -1.00 0.00 0.00 57.85 56.85 3kir n ARG 28 Cb 0.30 -1.52 0.20 0.00 -1.05 0.00 0.00 32.46 30.38 3kir n ARG 28 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 3kir n LEU 29 N -2.02 0.64 0.04 2.89 0.00 -0.99 -3.55 117.00 114.00 3kir n LEU 29 Ca -0.01 -0.11 0.02 0.00 0.00 0.00 0.00 56.01 55.92 3kir n LEU 29 Cb 0.49 -0.20 -0.07 0.00 0.00 0.00 0.00 43.42 43.64 3kir n LEU 29 CO 0.45 0.15 -0.28 0.52 0.00 0.00 0.00 177.39 178.23 3kir n VAL 30 N -1.41 1.03 0.09 1.96 0.31 -0.61 -3.27 118.33 116.42 3kir n VAL 30 Ca 0.06 -0.66 -0.04 0.00 -0.01 0.00 0.00 64.34 63.69 3kir n VAL 30 Cb 0.34 -0.62 -0.04 0.00 -0.91 0.00 0.00 33.84 32.61 3kir n VAL 30 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 3kir h LYS 31 N 0.00 0.00 -0.02 5.55 3.11 -1.68 -3.22 116.57 120.31 3kir h LYS 31 Ca -0.14 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.70 3kir h LYS 31 Cb 1.46 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.69 3kir h LYS 31 CO 0.03 0.82 -0.10 -0.85 -2.81 0.00 0.00 179.45 176.54 3kir n GLU 32 N -3.37 1.79 -0.28 1.90 0.28 -1.23 -3.79 120.64 115.93 3kir n GLU 32 Ca 0.00 -1.32 0.09 0.00 -0.16 0.00 0.00 57.16 55.77 3kir n GLU 32 Cb 0.84 -1.47 0.24 0.00 1.43 0.00 0.00 31.44 32.49 3kir n GLU 32 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 3kir n LEU 33 N 0.55 3.48 -3.84 -1.84 4.77 -1.20 -4.67 117.00 114.25 3kir n LEU 33 Ca 0.15 -1.98 -0.40 0.00 -0.03 0.00 0.00 56.01 53.74 3kir n LEU 33 Cb 0.47 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 3kir n LEU 33 CO 0.19 0.87 1.04 0.00 -1.33 0.00 0.00 177.39 178.16 3kir n ALA 34 N 1.14 5.21 -2.89 -1.18 0.00 -1.23 -4.51 120.51 117.05 3kir n ALA 34 Ca 0.19 -4.77 -0.44 0.00 0.00 0.00 0.00 53.44 48.42 3kir n ALA 34 Cb 0.53 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.87 3kir n ALA 34 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3kir n THR 35 N 0.98 4.38 -4.59 0.00 -2.24 -1.26 -4.97 114.28 106.58 3kir n THR 35 Ca 0.30 -4.82 -0.28 0.00 -2.27 0.00 0.00 64.05 56.98 3kir n THR 35 Cb 0.33 -2.44 -0.08 0.00 -2.10 0.00 0.00 70.33 66.04 3kir n THR 35 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kir s ALA 36 N 0.70 3.32 -0.47 6.98 0.00 -1.26 -4.96 121.76 126.07 3kir s ALA 36 Ca 0.40 -0.89 0.03 0.00 0.00 0.00 0.00 51.96 51.51 3kir s ALA 36 Cb -0.01 0.59 0.65 0.00 0.00 0.00 0.00 23.12 24.35 3kir s ALA 36 CO -0.00 -0.26 1.93 1.63 0.00 0.00 0.00 175.76 179.05 3kir n LYS 37 N -1.04 2.29 -3.85 0.00 5.02 -1.26 -4.95 118.16 114.37 3kir n LYS 37 Ca -0.10 -3.04 -0.06 0.00 -2.02 0.00 0.00 58.31 53.09 3kir n LYS 37 Cb 0.65 -2.19 0.02 0.00 -0.02 0.00 0.00 35.03 33.50 3kir n LYS 37 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 3kir s PHE 38 N -3.35 0.12 -0.46 2.13 -0.71 -1.26 -5.12 117.98 109.33 3kir s PHE 38 Ca 0.58 -0.68 -0.22 0.00 -1.04 0.00 0.00 56.93 55.56 3kir s PHE 38 Cb 0.48 0.79 0.03 0.00 -1.21 0.00 0.00 43.02 43.11 3kir s PHE 38 CO 0.10 -1.29 0.73 0.34 -1.34 0.00 0.00 175.22 173.75 3kir s ASP 39 N -3.26 6.35 0.97 1.98 -1.08 -1.26 -4.99 116.67 115.38 3kir s ASP 39 Ca 0.19 -0.31 -0.11 0.00 -0.52 0.00 0.00 52.55 51.80 3kir s ASP 39 Cb -0.04 -2.36 0.16 0.00 -1.46 0.00 0.00 42.92 39.22 3kir s ASP 39 CO 0.09 -0.89 0.94 -0.62 0.52 0.00 0.00 175.17 175.21 3kir n GLU 40 N 6.57 -0.84 -3.90 4.34 1.02 -1.26 -4.80 120.64 121.77 3kir n GLU 40 Ca -0.00 -1.54 -0.27 0.00 -0.02 0.00 0.00 57.16 55.33 3kir n GLU 40 Cb 0.48 -0.94 -0.17 0.00 -0.02 0.00 0.00 31.44 30.79 3kir n GLU 40 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3kir s THR 41 N -3.02 1.04 -0.51 2.62 2.01 -1.26 -1.32 115.64 115.20 3kir s THR 41 Ca 0.54 -0.41 -0.26 0.00 0.31 0.00 0.00 61.69 61.87 3kir s THR 41 Cb -0.02 -1.12 0.03 0.00 0.01 0.00 0.00 72.50 71.40 3kir s THR 41 CO 0.38 0.27 1.03 -0.69 -0.69 0.00 0.00 174.62 174.92 3kir s VAL 42 N 1.69 4.29 0.31 3.82 1.01 -1.20 -1.57 120.40 128.74 3kir s VAL 42 Ca 0.03 0.76 0.06 0.00 0.00 0.00 0.00 61.98 62.84 3kir s VAL 42 Cb -0.14 -4.56 -0.02 0.00 0.00 0.00 0.00 36.38 31.67 3kir s VAL 42 CO -0.08 -1.06 0.43 -1.83 0.00 0.00 0.00 175.10 172.56 3kir s GLU 43 N 4.22 3.18 -0.08 2.72 -1.05 0.68 -2.52 118.70 125.85 3kir s GLU 43 Ca 0.39 -0.96 0.01 0.00 -0.15 0.00 0.00 54.97 54.26 3kir s GLU 43 Cb -0.09 -2.82 0.02 0.00 -0.44 0.00 0.00 34.13 30.80 3kir s GLU 43 CO 0.26 0.17 -0.10 0.08 0.95 0.00 0.00 175.26 176.61 3kir s VAL 44 N -2.13 1.08 -0.08 1.83 1.01 -1.17 0.14 120.40 121.09 3kir s VAL 44 Ca 0.42 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 62.04 3kir s VAL 44 Cb -0.09 -1.03 -0.01 0.00 0.00 0.00 0.00 36.38 35.24 3kir s VAL 44 CO 0.30 0.36 -0.20 -1.00 0.00 0.00 0.00 175.10 174.56 3kir s HIS 45 N 1.08 2.60 -0.11 5.22 3.76 0.20 -4.36 115.29 123.68 3kir s HIS 45 Ca -0.07 -0.59 -0.10 0.00 -0.15 0.00 0.00 55.06 54.15 3kir s HIS 45 Cb -0.14 -1.67 0.03 0.00 1.11 0.00 0.00 32.58 31.90 3kir s HIS 45 CO -0.01 -0.13 0.30 0.00 -0.85 0.00 0.00 174.74 174.04 3kir s ALA 46 N -0.14 -0.73 -0.18 -1.40 0.00 -1.21 0.18 121.76 118.27 3kir s ALA 46 Ca -0.03 0.88 -0.19 0.00 0.00 0.00 0.00 51.96 52.62 3kir s ALA 46 Cb -0.14 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.43 3kir s ALA 46 CO 0.04 -0.15 0.54 0.21 0.00 0.00 0.00 175.76 176.40 3kir s LYS 47 N 0.30 4.23 0.08 0.00 2.47 0.36 -2.67 119.74 124.50 3kir s LYS 47 Ca -0.01 0.48 -0.20 0.00 -1.56 0.00 0.00 55.97 54.68 3kir s LYS 47 Cb -0.03 -3.54 -0.07 0.00 -1.46 0.00 0.00 37.83 32.73 3kir s LYS 47 CO -0.01 -0.11 0.57 -0.51 0.16 0.00 0.00 175.35 175.46 3kir s LEU 48 N 1.49 4.53 -1.28 5.43 1.02 -0.79 -2.20 118.68 126.88 3kir s LEU 48 Ca 0.26 1.27 -0.09 0.00 0.02 0.00 0.00 54.13 55.60 3kir s LEU 48 Cb -0.16 -2.91 -0.09 0.00 0.02 0.00 0.00 46.19 43.06 3kir s LEU 48 CO 0.10 0.27 2.99 0.61 0.02 0.00 0.00 176.35 180.35 3kir n GLY 49 N 1.71 4.18 3.50 -3.19 0.00 -1.08 -4.87 105.19 105.45 3kir n GLY 49 Ca -0.10 -1.54 -0.24 0.00 0.00 0.00 0.00 46.02 44.14 3kir n GLY 49 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3kir s ILE 50 N 1.38 1.57 -0.03 -0.61 -5.25 -1.26 -4.35 121.20 112.66 3kir s ILE 50 Ca 0.67 -2.03 -0.20 0.00 -0.99 0.00 0.00 60.65 58.10 3kir s ILE 50 Cb 0.21 -2.79 -0.05 0.00 2.95 0.00 0.00 42.46 42.78 3kir s ILE 50 CO -0.06 -0.06 0.57 -0.62 -1.79 0.00 0.00 174.94 172.97 3kir s ASP 51 N -3.55 6.91 0.01 4.36 2.15 -1.26 -4.80 116.67 120.48 3kir s ASP 51 Ca 0.35 1.09 -0.19 0.00 0.43 0.00 0.00 52.55 54.22 3kir s ASP 51 Cb 0.08 -2.35 -0.11 0.00 -0.30 0.00 0.00 42.92 40.25 3kir s ASP 51 CO 0.16 0.09 1.01 1.55 -0.17 0.00 0.00 175.17 177.80 3kir h PRO 52 N 5.82 -0.68 -1.00 4.34 0.13 -1.87 -3.22 132.00 135.53 3kir h PRO 52 Ca -0.45 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 3kir h PRO 52 Cb 1.20 0.15 0.00 0.00 0.13 0.00 0.00 31.00 32.48 3kir h PRO 52 CO 0.70 -0.45 0.00 2.89 -0.23 0.00 0.00 178.00 180.91 3kir n ARG 53 N -4.45 0.83 -3.03 0.86 0.00 -1.26 -4.62 116.66 104.99 3kir n ARG 53 Ca -0.09 0.00 -0.44 0.00 -0.00 0.00 0.00 57.85 57.32 3kir n ARG 53 Cb 0.28 -1.25 -0.01 0.00 -0.00 0.00 0.00 32.46 31.47 3kir n ARG 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 3kir s ARG 54 N -0.43 3.83 0.58 2.89 1.81 -1.22 -4.87 118.95 121.53 3kir s ARG 54 Ca 0.00 -2.28 0.17 0.00 -1.72 0.00 0.00 55.73 51.90 3kir s ARG 54 Cb 0.00 -4.86 0.93 0.00 -0.45 0.00 0.00 34.95 30.57 3kir s ARG 54 CO 0.00 -1.65 1.49 1.03 -0.68 0.00 0.00 175.30 175.49 3kir h SER 55 N 7.91 0.00 -0.46 0.23 0.87 -1.90 -0.06 113.55 120.14 3kir h SER 55 Ca 0.20 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.43 3kir h SER 55 Cb 0.96 0.00 -0.32 0.00 -0.44 0.00 0.00 62.40 62.61 3kir h SER 55 CO 1.09 0.00 -0.80 -0.90 -0.53 0.00 0.00 176.83 175.69 3kir n ASP 56 N -2.55 3.31 -2.70 6.23 5.75 -1.26 -5.26 116.55 120.06 3kir n ASP 56 Ca -0.01 -3.39 -0.05 0.00 -0.01 0.00 0.00 54.79 51.33 3kir n ASP 56 Cb 0.55 -0.41 0.10 0.00 -1.03 0.00 0.00 41.12 40.33 3kir n ASP 56 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 3kir n GLN 57 N -0.70 1.30 0.00 0.11 7.27 -0.04 -4.78 117.38 120.54 3kir n GLN 57 Ca 0.29 -2.17 0.00 0.00 0.07 0.00 0.00 57.00 55.19 3kir n GLN 57 Cb 0.89 -0.37 0.00 0.00 2.41 0.00 0.00 30.24 33.17 3kir n GLN 57 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 3kir n ASN 166 N -0.75 0.00 -2.48 1.69 6.94 -1.26 -4.69 115.26 114.72 3kir n ASN 166 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.53 3kir n ASN 166 Cb 0.85 0.36 0.00 0.00 -2.36 0.00 0.00 39.78 38.63 3kir n ASN 166 CO 0.00 0.00 0.00 -0.90 -1.03 0.00 0.00 177.26 175.33 3kir n ASP 167 N -0.67 0.00 -2.25 0.53 5.68 -0.87 -4.94 116.55 114.02 3kir n ASP 167 Ca 0.00 0.00 -0.28 0.00 -0.50 0.00 0.00 54.79 54.01 3kir n ASP 167 Cb 0.00 0.00 0.14 0.00 -1.14 0.00 0.00 41.12 40.12 3kir n ASP 167 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 3kir n LYS 168 N 0.00 2.41 0.00 0.11 2.85 -1.26 -4.14 118.16 118.13 3kir n LYS 168 Ca 0.00 -3.12 0.00 0.00 -1.05 0.00 0.00 58.31 54.14 3kir n LYS 168 Cb 0.00 -2.21 0.00 0.00 -0.65 0.00 0.00 35.03 32.17 3kir n LYS 168 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 3kir n THR 169 N -1.06 0.00 0.00 0.58 -2.24 -1.26 -4.74 114.28 105.56 3kir n THR 169 Ca 0.61 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.39 3kir n THR 169 Cb 1.30 0.23 0.00 0.00 -2.10 0.00 0.00 70.33 69.76 3kir n THR 169 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kir n GLY 170 N 0.00 1.51 3.86 3.38 0.00 -1.26 -4.61 105.19 108.07 3kir n GLY 170 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 3kir n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kir s ALA 171 N -2.00 3.82 0.10 4.61 0.00 -1.26 -1.89 121.76 125.14 3kir s ALA 171 Ca 0.00 -0.76 0.10 0.00 0.00 0.00 0.00 51.96 51.30 3kir s ALA 171 Cb 0.00 -1.81 -0.04 0.00 0.00 0.00 0.00 23.12 21.27 3kir s ALA 171 CO 0.00 0.69 -0.26 -1.50 0.00 0.00 0.00 175.76 174.70 3kir s ILE 172 N -1.20 2.11 0.00 0.00 1.10 -1.09 -2.06 121.20 120.06 3kir s ILE 172 Ca 0.22 -1.59 0.00 0.00 -0.51 0.00 0.00 60.65 58.77 3kir s ILE 172 Cb -0.12 -1.85 0.00 0.00 0.15 0.00 0.00 42.46 40.63 3kir s ILE 172 CO 0.13 0.15 0.00 1.41 -2.11 0.00 0.00 174.94 174.52 3kir n HIS 173 N 1.24 0.00 0.00 3.50 8.25 -1.26 -3.34 115.22 123.61 3kir n HIS 173 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 3kir n HIS 173 Cb 0.53 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.64 3kir n HIS 173 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3kir n ALA 174 N -3.00 0.00 -2.65 -1.41 0.00 -1.26 -4.86 120.51 107.33 3kir n ALA 174 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 3kir n ALA 174 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 3kir n ALA 174 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3kir s PRO 175 N -4.35 3.68 -0.40 0.00 0.04 -1.26 -3.03 135.00 129.68 3kir s PRO 175 Ca 0.00 0.04 0.09 0.00 0.04 0.00 0.00 61.00 61.17 3kir s PRO 175 Cb 0.00 -3.00 0.28 0.00 0.04 0.00 0.00 34.50 31.83 3kir s PRO 175 CO 0.00 0.57 0.65 1.33 0.04 0.00 0.00 177.00 179.59 3kir n VAL 176 N 0.82 -0.44 0.00 -0.36 0.24 -1.05 -4.99 118.33 112.55 3kir n VAL 176 Ca -0.08 -3.81 0.00 0.00 -2.04 0.00 0.00 64.34 58.41 3kir n VAL 176 Cb 0.52 -0.94 0.00 0.00 -1.47 0.00 0.00 33.84 31.95 3kir n VAL 176 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3kir n GLY 177 N 1.05 0.56 3.71 7.63 0.00 -1.26 -4.77 105.19 112.11 3kir n GLY 177 Ca 0.20 -2.20 -0.32 0.00 0.00 0.00 0.00 46.02 43.71 3kir n GLY 177 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kir s LYS 178 N -0.70 2.16 -0.05 1.61 -0.14 -1.26 -3.26 119.74 118.11 3kir s LYS 178 Ca 0.00 -2.39 0.04 0.00 -1.36 0.00 0.00 55.97 52.26 3kir s LYS 178 Cb 0.00 -1.22 0.18 0.00 -1.68 0.00 0.00 37.83 35.11 3kir s LYS 178 CO 0.00 -0.45 0.85 0.00 -0.76 0.00 0.00 175.35 174.98 3kir n ALA 179 N -1.21 2.76 0.00 5.17 0.00 -0.44 -3.73 120.51 123.07 3kir n ALA 179 Ca -0.17 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 52.85 3kir n ALA 179 Cb 0.66 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 19.09 3kir n ALA 179 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kir n SER 180 N 0.12 2.37 -4.16 0.00 3.41 -1.26 -4.88 113.62 109.22 3kir n SER 180 Ca 0.06 0.00 -0.47 0.00 -0.26 0.00 0.00 58.87 58.20 3kir n SER 180 Cb 0.41 0.30 -0.04 0.00 -0.26 0.00 0.00 64.21 64.63 3kir n SER 180 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3kir n PHE 181 N -1.07 -0.26 -0.76 7.33 3.01 -1.24 -4.89 117.46 119.58 3kir n PHE 181 Ca 0.00 0.93 -0.32 0.00 1.01 0.00 0.00 57.45 59.07 3kir n PHE 181 Cb 0.17 -1.87 0.15 0.00 -0.01 0.00 0.00 39.48 37.92 3kir n PHE 181 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 3kir n PRO 182 N 1.03 -0.34 0.00 -1.08 -0.02 -1.26 -4.77 135.00 128.56 3kir n PRO 182 Ca 0.17 -0.04 0.01 0.00 -2.02 0.00 0.00 63.50 61.62 3kir n PRO 182 Cb 0.20 -2.21 0.03 0.00 -0.02 0.00 0.00 33.50 31.50 3kir n PRO 182 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3kir n PRO 183 N -3.30 0.00 0.00 0.52 -0.02 -1.26 -0.88 135.00 130.06 3kir n PRO 183 Ca 0.10 0.42 0.09 0.00 -2.02 0.00 0.00 63.50 62.09 3kir n PRO 183 Cb 0.52 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.45 3kir n PRO 183 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kir n GLU 184 N -1.44 1.26 -0.00 -0.52 4.71 -1.26 -2.81 120.64 120.58 3kir n GLU 184 Ca 0.00 -0.45 0.10 0.00 -0.01 0.00 0.00 57.16 56.80 3kir n GLU 184 Cb 0.01 -1.36 -0.13 0.00 -1.01 0.00 0.00 31.44 28.96 3kir n GLU 184 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3kir n LYS 185 N -0.75 0.54 -0.12 3.49 4.01 -0.06 -3.45 118.16 121.81 3kir n LYS 185 Ca 0.06 -0.06 -0.25 0.00 -0.51 0.00 0.00 58.31 57.55 3kir n LYS 185 Cb 0.34 -1.45 -0.09 0.00 -0.51 0.00 0.00 35.03 33.33 3kir n LYS 185 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 3kir n LEU 186 N -1.69 1.78 0.25 -0.35 4.77 -1.09 -3.62 117.00 117.05 3kir n LEU 186 Ca 0.01 0.25 0.12 0.00 -0.03 0.00 0.00 56.01 56.37 3kir n LEU 186 Cb 0.37 -0.70 0.66 0.00 -2.33 0.00 0.00 43.42 41.42 3kir n LEU 186 CO 0.41 0.53 0.93 0.00 -1.33 0.00 0.00 177.39 177.92 3kir h ALA 187 N -0.78 1.19 0.00 -1.18 0.00 -1.73 -0.59 119.26 116.17 3kir h ALA 187 Ca -0.59 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.04 3kir h ALA 187 Cb 1.55 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.29 3kir h ALA 187 CO -0.34 0.18 -1.78 -0.25 0.00 0.00 0.00 179.25 177.06 3kir n ASP 188 N -3.53 0.38 0.02 0.00 8.00 -1.22 -4.23 116.55 115.96 3kir n ASP 188 Ca -0.01 0.16 0.11 0.00 0.71 0.00 0.00 54.79 55.76 3kir n ASP 188 Cb 0.29 0.98 0.04 0.00 -0.02 0.00 0.00 41.12 42.41 3kir n ASP 188 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3kir n ASN 189 N -2.63 0.62 0.03 -2.24 5.15 -1.13 -3.59 115.26 111.47 3kir n ASN 189 Ca -0.12 -0.24 -0.09 0.00 -0.60 0.00 0.00 54.58 53.53 3kir n ASN 189 Cb 0.79 0.75 0.06 0.00 -0.53 0.00 0.00 39.78 40.85 3kir n ASN 189 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 3kir h ILE 190 N 0.00 1.35 0.00 -1.44 1.08 -1.28 -2.67 117.51 114.55 3kir h ILE 190 Ca 0.00 -1.92 0.00 0.00 -0.39 0.00 0.00 64.86 62.55 3kir h ILE 190 Cb 0.70 1.91 0.00 0.00 -3.07 0.00 0.00 36.82 36.36 3kir h ILE 190 CO 0.00 0.59 0.00 0.03 -0.69 0.00 0.00 178.15 178.08 3kir h ARG 191 N 0.33 0.00 0.00 2.37 3.08 -1.74 -2.65 114.38 115.78 3kir h ARG 191 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 3kir h ARG 191 Cb 1.15 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.20 3kir h ARG 191 CO 0.11 0.00 -0.01 0.00 -1.07 0.00 0.00 179.97 179.00 3kir h ALA 192 N 2.16 0.99 0.00 0.04 0.00 -1.54 -2.28 119.26 118.64 3kir h ALA 192 Ca 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 3kir h ALA 192 Cb 0.79 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 3kir h ALA 192 CO 0.00 0.02 -1.72 0.34 0.00 0.00 0.00 179.25 177.88 3kir n PHE 193 N -3.10 0.53 0.10 0.00 7.35 -1.12 -3.24 117.46 117.97 3kir n PHE 193 Ca 0.04 0.17 -0.12 0.00 -0.76 0.00 0.00 57.45 56.77 3kir n PHE 193 Cb 0.53 -0.91 -0.08 0.00 0.35 0.00 0.00 39.48 39.37 3kir n PHE 193 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 3kir h ILE 194 N 0.00 0.86 0.00 -2.13 1.08 -1.42 -2.78 117.51 113.11 3kir h ILE 194 Ca -0.19 -0.83 0.00 0.00 -0.39 0.00 0.00 64.86 63.46 3kir h ILE 194 Cb 1.51 1.31 0.00 0.00 -3.07 0.00 0.00 36.82 36.57 3kir h ILE 194 CO 0.03 0.17 0.00 0.54 -0.69 0.00 0.00 178.15 178.20 3kir n ARG 195 N -5.02 0.57 0.08 2.37 1.74 -0.86 -1.20 116.66 114.34 3kir n ARG 195 Ca -0.09 0.01 0.03 0.00 -0.77 0.00 0.00 57.85 57.04 3kir n ARG 195 Cb 0.26 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.17 3kir n ARG 195 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kir h ALA 196 N 3.17 0.65 0.00 7.54 0.00 -1.47 -3.33 119.26 125.82 3kir h ALA 196 Ca 0.00 -0.53 -0.36 0.00 0.00 0.00 0.00 54.91 54.02 3kir h ALA 196 Cb 0.02 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 17.86 3kir h ALA 196 CO 0.00 0.61 -2.36 1.28 0.00 0.00 0.00 179.25 178.78 3kir n LEU 197 N -2.95 2.34 -0.28 0.00 4.77 -0.67 -4.29 117.00 115.92 3kir n LEU 197 Ca -0.04 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 3kir n LEU 197 Cb 0.74 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3kir n LEU 197 CO 0.41 0.81 0.18 -0.62 -1.33 0.00 0.00 177.39 176.85 3kir n GLU 198 N -3.10 0.51 0.00 3.23 1.02 -0.34 -0.28 120.64 121.68 3kir n GLU 198 Ca -0.40 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.74 3kir n GLU 198 Cb 0.99 -1.14 0.00 0.00 -0.02 0.00 0.00 31.44 31.27 3kir n GLU 198 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kir n ALA 199 N -0.09 1.52 -1.61 0.62 0.00 -1.25 -4.69 120.51 115.02 3kir n ALA 199 Ca 0.00 -0.37 0.06 0.00 0.00 0.00 0.00 53.44 53.13 3kir n ALA 199 Cb 0.07 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.64 3kir n ALA 199 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3kir n HIS 200 N -0.04 0.00 -2.39 0.00 8.25 0.61 -5.04 115.22 116.61 3kir n HIS 200 Ca 0.00 -0.89 -0.43 0.00 -0.26 0.00 0.00 57.72 56.15 3kir n HIS 200 Cb 0.13 -0.16 -0.02 0.00 1.12 0.00 0.00 29.99 31.06 3kir n HIS 200 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 3kir s LYS 201 N -2.03 3.51 0.99 -0.41 2.20 -1.18 -5.00 119.74 117.83 3kir s LYS 201 Ca 0.28 0.76 -0.16 0.00 -0.36 0.00 0.00 55.97 56.49 3kir s LYS 201 Cb 0.27 -4.04 -0.05 0.00 -1.51 0.00 0.00 37.83 32.50 3kir s LYS 201 CO -0.03 -1.65 -0.30 -2.30 -0.36 0.00 0.00 175.35 170.71 3kir n PRO 202 N 8.21 -0.29 0.34 4.03 -0.02 -1.26 -4.92 135.00 141.09 3kir n PRO 202 Ca 0.15 -0.07 -0.17 0.00 -2.02 0.00 0.00 63.50 61.39 3kir n PRO 202 Cb 0.48 -1.42 -0.09 0.00 -0.02 0.00 0.00 33.50 32.45 3kir n PRO 202 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3kir h GLU 203 N -1.34 -0.85 -0.88 -0.52 4.39 -1.94 -3.20 114.58 110.23 3kir h GLU 203 Ca -0.44 0.06 -0.30 0.00 0.34 0.00 0.00 59.36 59.01 3kir h GLU 203 Cb 1.31 0.19 -0.18 0.00 -0.10 0.00 0.00 28.75 29.97 3kir h GLU 203 CO 0.29 -0.57 0.38 0.41 -1.16 0.00 0.00 179.01 178.37 3kir n GLY 204 N -1.48 3.71 3.55 -3.84 0.00 -1.26 -4.90 105.19 100.97 3kir n GLY 204 Ca -0.13 -0.89 -0.37 0.00 0.00 0.00 0.00 46.02 44.63 3kir n GLY 204 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kir s ALA 205 N -2.73 2.21 -0.15 4.61 0.00 -1.21 -4.96 121.76 119.53 3kir s ALA 205 Ca 0.48 -0.97 -0.14 0.00 0.00 0.00 0.00 51.96 51.33 3kir s ALA 205 Cb 0.39 -4.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.12 3kir s ALA 205 CO 0.11 -3.93 0.32 -1.59 0.00 0.00 0.00 175.76 170.66 3kir s LYS 206 N 6.75 4.25 0.00 0.00 -2.85 -1.26 -4.87 119.74 121.76 3kir s LYS 206 Ca 0.62 0.14 0.00 0.00 -1.00 0.00 0.00 55.97 55.73 3kir s LYS 206 Cb -0.10 -3.42 0.00 0.00 -2.06 0.00 0.00 37.83 32.24 3kir s LYS 206 CO 0.15 0.24 0.00 0.41 0.10 0.00 0.00 175.35 176.25 3kir n GLY 207 N 3.33 0.41 3.53 0.59 0.00 -1.26 -4.70 105.19 107.09 3kir n GLY 207 Ca -0.11 -2.26 -0.41 0.00 0.00 0.00 0.00 46.02 43.24 3kir n GLY 207 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kir s THR 208 N -0.39 3.84 0.60 2.61 2.01 -1.26 -4.85 115.64 118.20 3kir s THR 208 Ca 0.00 0.16 0.30 0.00 0.31 0.00 0.00 61.69 62.46 3kir s THR 208 Cb 0.00 -4.89 0.44 0.00 0.01 0.00 0.00 72.50 68.06 3kir s THR 208 CO 0.00 -1.80 1.33 0.33 -0.69 0.00 0.00 174.62 173.79 3kir n PHE 209 N 9.04 0.00 -3.33 4.92 7.35 -1.26 -2.08 117.46 132.10 3kir n PHE 209 Ca 0.05 0.00 -0.26 0.00 -0.76 0.00 0.00 57.45 56.48 3kir n PHE 209 Cb 0.49 -0.30 -0.09 0.00 0.35 0.00 0.00 39.48 39.93 3kir n PHE 209 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 3kir n LEU 210 N -3.34 -0.37 0.35 -2.13 4.77 -1.26 -2.65 117.00 112.36 3kir n LEU 210 Ca 0.27 -4.43 -0.17 0.00 -0.03 0.00 0.00 56.01 51.64 3kir n LEU 210 Cb 1.61 0.58 -0.09 0.00 -2.33 0.00 0.00 43.42 43.19 3kir n LEU 210 CO 0.27 1.91 0.63 0.03 -1.33 0.00 0.00 177.39 178.90 3kir h ARG 211 N 5.20 -0.82 -5.52 3.23 3.08 -0.93 -3.44 114.38 115.18 3kir h ARG 211 Ca 0.22 0.06 -0.61 0.00 0.07 0.00 0.00 59.98 59.71 3kir h ARG 211 Cb 0.91 0.19 -0.31 0.00 0.08 0.00 0.00 29.97 30.83 3kir h ARG 211 CO 0.39 -0.53 -0.85 0.45 -1.07 0.00 0.00 179.97 178.35 3kir s SER 212 N -4.47 2.49 -0.08 7.04 0.15 -1.23 -5.00 113.70 112.61 3kir s SER 212 Ca -0.17 -0.41 0.02 0.00 0.70 0.00 0.00 55.95 56.09 3kir s SER 212 Cb 0.03 -0.72 0.01 0.00 -1.71 0.00 0.00 66.02 63.63 3kir s SER 212 CO 0.61 0.18 -0.14 -0.69 1.20 0.00 0.00 173.24 174.40 3kir s VAL 213 N 0.00 1.28 0.00 4.45 1.01 -1.26 -0.49 120.40 125.39 3kir s VAL 213 Ca -0.05 -0.55 0.06 0.00 0.00 0.00 0.00 61.98 61.44 3kir s VAL 213 Cb -0.13 -1.16 -0.02 0.00 0.00 0.00 0.00 36.38 35.08 3kir s VAL 213 CO 0.03 0.39 -0.18 -0.31 0.00 0.00 0.00 175.10 175.03 3kir s TYR 214 N 0.69 1.61 -0.28 5.22 1.51 0.47 -1.74 117.35 124.84 3kir s TYR 214 Ca -0.14 -0.32 0.01 0.00 -1.01 0.00 0.00 57.07 55.61 3kir s TYR 214 Cb -0.16 -1.01 0.06 0.00 -0.11 0.00 0.00 41.96 40.73 3kir s TYR 214 CO 0.03 0.00 -0.06 0.08 -1.11 0.00 0.00 175.55 174.50 3kir s VAL 215 N -0.53 2.52 0.16 0.71 1.01 -0.62 0.63 120.40 124.28 3kir s VAL 215 Ca 0.07 -1.57 0.08 0.00 0.00 0.00 0.00 61.98 60.56 3kir s VAL 215 Cb -0.07 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.78 3kir s VAL 215 CO -0.00 -0.09 -0.18 0.28 0.00 0.00 0.00 175.10 175.11 3kir s THR 216 N 1.15 1.75 0.00 3.92 -1.32 0.12 -2.39 115.64 118.88 3kir s THR 216 Ca -0.07 -1.90 0.00 0.00 -1.21 0.00 0.00 61.69 58.51 3kir s THR 216 Cb -0.20 -1.81 0.00 0.00 -1.51 0.00 0.00 72.50 68.98 3kir s THR 216 CO -0.04 -0.34 0.00 0.35 -2.21 0.00 0.00 174.62 172.39 3kir n THR 217 N 0.30 0.00 -0.08 5.08 -2.24 -1.21 0.25 114.28 116.37 3kir n THR 217 Ca -0.13 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.53 3kir n THR 217 Cb 0.57 -1.30 -0.05 0.00 -2.10 0.00 0.00 70.33 67.46 3kir n THR 217 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3kir h THR 218 N -0.17 1.30 0.00 4.28 2.02 -1.66 -3.38 112.91 115.29 3kir h THR 218 Ca 0.00 -1.20 0.00 0.00 0.77 0.00 0.00 66.41 65.98 3kir h THR 218 Cb 0.00 1.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 3kir h THR 218 CO 0.00 0.37 -1.03 0.23 0.37 0.00 0.00 175.52 175.46 3kir n MET 219 N -4.48 0.94 -2.63 6.66 2.81 -1.26 -5.04 117.12 114.12 3kir n MET 219 Ca -0.04 -0.03 -0.30 0.00 -1.81 0.00 0.00 57.70 55.51 3kir n MET 219 Cb 0.35 -1.03 -0.03 0.00 -0.71 0.00 0.00 33.22 31.80 3kir n MET 219 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 3kir s GLY 220 N -2.29 1.90 0.42 3.03 0.00 -1.26 -5.00 107.32 104.13 3kir s GLY 220 Ca -0.01 -0.13 -0.07 0.00 0.00 0.00 0.00 44.72 44.51 3kir s GLY 220 CO 0.16 0.08 0.31 -1.55 0.00 0.00 0.00 173.10 172.10 3kir n PRO 221 N -1.60 -2.25 -4.32 2.90 -0.04 -1.26 -3.30 135.00 125.12 3kir n PRO 221 Ca 0.04 -0.51 -0.29 0.00 -0.04 0.00 0.00 63.50 62.70 3kir n PRO 221 Cb 0.54 -0.55 -0.12 0.00 -0.04 0.00 0.00 33.50 33.33 3kir n PRO 221 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3kir s SER 222 N -2.39 3.78 -0.06 3.54 1.04 -1.26 -3.82 113.70 114.53 3kir s SER 222 Ca 0.22 -0.61 0.06 0.00 0.48 0.00 0.00 55.95 56.10 3kir s SER 222 Cb -0.03 -0.48 -0.01 0.00 0.10 0.00 0.00 66.02 65.59 3kir s SER 222 CO 0.17 0.17 -0.23 -0.69 0.98 0.00 0.00 173.24 173.64 3kir s VAL 223 N -1.18 2.24 -0.17 5.02 1.01 -1.01 -4.85 120.40 121.46 3kir s VAL 223 Ca 0.18 -1.01 -0.29 0.00 0.00 0.00 0.00 61.98 60.86 3kir s VAL 223 Cb -0.10 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.44 3kir s VAL 223 CO 0.10 0.57 1.35 -0.60 0.00 0.00 0.00 175.10 176.51 3kir s ARG 224 N -0.26 4.15 0.01 2.72 3.52 -1.26 -1.58 118.95 126.24 3kir s ARG 224 Ca -0.00 1.67 0.05 0.00 -0.13 0.00 0.00 55.73 57.32 3kir s ARG 224 Cb -0.13 -3.83 -0.01 0.00 -1.56 0.00 0.00 34.95 29.41 3kir s ARG 224 CO 0.03 -0.83 -0.14 0.96 -0.81 0.00 0.00 175.30 174.51 3kir s ILE 225 N 3.82 1.12 -0.41 4.11 -5.25 -0.71 -0.89 121.20 122.98 3kir s ILE 225 Ca 0.59 -0.74 -0.29 0.00 -0.99 0.00 0.00 60.65 59.22 3kir s ILE 225 Cb -0.23 -0.96 0.01 0.00 2.95 0.00 0.00 42.46 44.23 3kir s ILE 225 CO 0.19 0.21 1.46 0.21 -1.79 0.00 0.00 174.94 175.22 3kir s ASN 226 N -0.60 6.26 0.00 4.36 2.47 -0.50 -4.53 114.94 122.40 3kir s ASN 226 Ca 0.04 0.85 0.00 0.00 0.42 0.00 0.00 52.86 54.17 3kir s ASN 226 Cb -0.06 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.20 3kir s ASN 226 CO 0.00 -1.49 0.45 -0.81 -3.72 0.00 0.00 177.10 171.54 3kir n PRO 227 N 8.16 0.68 0.00 0.43 -0.04 -1.26 -2.62 135.00 140.35 3kir n PRO 227 Ca 0.17 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.63 3kir n PRO 227 Cb 0.48 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 3kir n PRO 227 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3kir n HIS 228 N 0.33 0.00 -1.12 0.54 8.25 -1.26 -5.06 115.22 116.90 3kir n HIS 228 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3kir n HIS 228 Cb 0.23 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.34 3kir n HIS 228 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85