#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kkf h ASN 2 N 0.00 0.97 -3.45 1.61 2.35 -1.87 -3.37 115.58 111.83 1kkf h ASN 2 Ca 0.00 -0.30 -0.71 0.00 -0.55 0.00 0.00 56.30 54.74 1kkf h ASN 2 Cb 0.00 -0.26 -0.29 0.00 0.05 0.00 0.00 38.32 37.82 1kkf h ASN 2 CO 0.00 1.06 -0.48 0.20 -1.65 0.00 0.00 177.43 176.57 1kkf s ASN 3 N -6.64 5.56 -0.20 5.81 0.01 -1.26 -0.46 114.94 117.77 1kkf s ASN 3 Ca -0.11 -1.63 -0.06 0.00 -0.71 0.00 0.00 52.86 50.36 1kkf s ASN 3 Cb 0.13 -1.96 -0.03 0.00 0.41 0.00 0.00 41.25 39.81 1kkf s ASN 3 CO 0.85 -0.55 0.03 -0.69 -1.51 0.00 0.00 177.10 175.23 1kkf s VAL 4 N 1.37 4.27 -0.15 1.60 1.01 -0.67 -1.62 120.40 126.20 1kkf s VAL 4 Ca 0.04 -0.21 -0.06 0.00 0.00 0.00 0.00 61.98 61.75 1kkf s VAL 4 Cb -0.23 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 1kkf s VAL 4 CO 0.01 0.43 0.06 -0.69 0.00 0.00 0.00 175.10 174.91 1kkf s VAL 5 N 0.81 4.79 -0.20 2.92 1.01 0.61 -1.43 120.40 128.92 1kkf s VAL 5 Ca 0.02 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 61.97 1kkf s VAL 5 Cb -0.14 -3.11 0.03 0.00 0.00 0.00 0.00 36.38 33.16 1kkf s VAL 5 CO 0.02 0.53 -0.15 -0.69 0.00 0.00 0.00 175.10 174.80 1kkf s VAL 6 N -0.19 1.94 0.20 2.92 1.01 -0.30 0.63 120.40 126.62 1kkf s VAL 6 Ca 0.07 -1.06 -0.03 0.00 0.00 0.00 0.00 61.98 60.96 1kkf s VAL 6 Cb -0.12 -1.88 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 1kkf s VAL 6 CO 0.01 0.34 0.18 -1.48 0.00 0.00 0.00 175.10 174.15 1kkf s LEU 7 N 1.29 1.10 -0.21 3.92 0.05 -0.87 -0.11 118.68 123.85 1kkf s LEU 7 Ca 0.01 -1.28 -0.23 0.00 0.05 0.00 0.00 54.13 52.68 1kkf s LEU 7 Cb -0.15 0.60 -0.02 0.00 -2.05 0.00 0.00 46.19 44.57 1kkf s LEU 7 CO -0.10 -0.87 0.73 -0.83 -0.55 0.00 0.00 176.35 174.73 1kkf s GLY 8 N -3.12 1.96 0.00 -3.48 0.00 -1.25 -0.43 107.32 101.00 1kkf s GLY 8 Ca 0.34 -0.19 0.29 0.00 0.00 0.00 0.00 44.72 45.16 1kkf s GLY 8 CO 0.10 1.54 1.91 -1.30 0.00 0.00 0.00 173.10 175.35 1kkf n THR 9 N 4.91 0.00 0.00 0.90 -2.24 -0.88 -0.26 114.28 116.71 1kkf n THR 9 Ca 0.02 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 1kkf n THR 9 Cb 0.49 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.26 1kkf n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kkf n GLN 10 N -1.50 0.00 -2.04 -0.78 6.02 -1.26 -4.49 117.38 113.33 1kkf n GLN 10 Ca 0.07 0.00 -0.26 0.00 -0.01 0.00 0.00 57.00 56.80 1kkf n GLN 10 Cb 0.34 0.00 0.02 0.00 1.02 0.00 0.00 30.24 31.62 1kkf n GLN 10 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1kkf n TRP 11 N 0.00 2.92 -0.14 1.08 8.01 -1.26 -1.08 117.44 126.97 1kkf n TRP 11 Ca 0.00 -2.45 0.02 0.00 -1.31 0.00 0.00 57.50 53.76 1kkf n TRP 11 Cb 0.00 -0.41 -0.01 0.00 -2.01 0.00 0.00 31.31 28.88 1kkf n TRP 11 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1kkf n GLY 12 N -0.69 -1.70 2.40 6.99 0.00 -1.25 -4.49 105.19 106.45 1kkf n GLY 12 Ca 0.45 -1.48 -0.20 0.00 0.00 0.00 0.00 46.02 44.79 1kkf n GLY 12 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1kkf n ASP 13 N -2.06 -5.71 0.06 1.61 8.00 -1.26 -4.86 116.55 112.33 1kkf n ASP 13 Ca -0.00 0.02 0.12 0.00 0.71 0.00 0.00 54.79 55.64 1kkf n ASP 13 Cb 0.07 -4.75 0.17 0.00 -0.02 0.00 0.00 41.12 36.59 1kkf n ASP 13 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1kkf n GLU 14 N -2.89 0.29 0.00 -1.24 4.71 -1.26 -4.94 120.64 115.31 1kkf n GLU 14 Ca -0.24 0.09 0.00 0.00 -0.01 0.00 0.00 57.16 57.00 1kkf n GLU 14 Cb 0.68 -1.69 0.00 0.00 -1.01 0.00 0.00 31.44 29.42 1kkf n GLU 14 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1kkf n GLY 15 N 1.34 1.15 0.26 0.62 0.00 -1.26 -4.36 105.19 102.93 1kkf n GLY 15 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 1kkf n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kkf h LYS 16 N 0.00 0.90 0.07 1.61 1.57 -1.92 -3.19 116.57 115.61 1kkf h LYS 16 Ca 0.00 -0.36 0.02 0.00 -1.87 0.00 0.00 60.65 58.44 1kkf h LYS 16 Cb 0.00 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 1kkf h LYS 16 CO 0.00 1.01 -0.30 0.78 -0.57 0.00 0.00 179.45 180.37 1kkf h GLY 17 N 0.74 -0.54 0.37 3.86 0.00 -1.91 -0.47 103.07 105.12 1kkf h GLY 17 Ca 0.11 0.36 0.14 0.00 0.00 0.00 0.00 47.33 47.94 1kkf h GLY 17 CO 0.05 -0.24 0.62 1.70 0.00 0.00 0.00 176.54 178.67 1kkf h LYS 18 N -0.50 0.89 -0.09 4.80 3.64 -1.67 -1.03 116.57 122.61 1kkf h LYS 18 Ca 0.04 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.20 1kkf h LYS 18 Cb 0.55 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1kkf h LYS 18 CO -0.21 0.59 -0.67 0.82 -2.27 0.00 0.00 179.45 177.71 1kkf h ILE 19 N 0.92 1.37 0.09 2.00 1.08 -1.38 -1.18 117.51 120.41 1kkf h ILE 19 Ca 0.52 -2.06 -0.00 0.00 -0.39 0.00 0.00 64.86 62.93 1kkf h ILE 19 Cb 0.60 2.04 0.00 0.00 -3.07 0.00 0.00 36.82 36.39 1kkf h ILE 19 CO -0.30 0.62 -0.04 0.58 -0.69 0.00 0.00 178.15 178.32 1kkf h VAL 20 N 0.27 1.12 -0.67 1.67 2.07 -0.36 -1.53 116.25 118.82 1kkf h VAL 20 Ca -0.02 -0.81 0.11 0.00 0.82 0.00 0.00 66.70 66.80 1kkf h VAL 20 Cb 1.22 1.64 -0.08 0.00 -1.52 0.00 0.00 31.29 32.55 1kkf h VAL 20 CO 0.11 0.20 0.25 -0.78 0.02 0.00 0.00 177.57 177.37 1kkf h ASP 21 N -0.49 0.22 0.04 0.57 3.58 -1.12 0.17 116.42 119.40 1kkf h ASP 21 Ca -0.01 0.09 -0.00 0.00 0.42 0.00 0.00 57.03 57.53 1kkf h ASP 21 Cb 0.41 0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.54 1kkf h ASP 21 CO 0.02 0.11 -0.02 0.25 -2.88 0.00 0.00 179.24 176.72 1kkf h LEU 22 N 0.41 -0.05 -0.02 2.28 5.85 -1.16 -3.21 115.31 119.42 1kkf h LEU 22 Ca 0.35 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 59.02 1kkf h LEU 22 Cb 0.48 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.53 1kkf h LEU 22 CO -0.36 0.02 0.00 0.18 -0.34 0.00 0.00 178.44 177.94 1kkf n LEU 23 N -5.09 0.50 0.00 2.25 7.99 -0.58 -3.97 117.00 118.10 1kkf n LEU 23 Ca -0.08 0.55 0.12 0.00 -0.01 0.00 0.00 56.01 56.60 1kkf n LEU 23 Cb 0.08 -0.40 0.65 0.00 -0.11 0.00 0.00 43.42 43.64 1kkf n LEU 23 CO 0.33 -0.12 0.92 0.35 -1.51 0.00 0.00 177.39 177.36 1kkf n THR 24 N -1.97 0.17 -0.35 -5.08 -2.24 -0.01 -3.90 114.28 100.90 1kkf n THR 24 Ca 0.06 0.04 0.28 0.00 -2.27 0.00 0.00 64.05 62.16 1kkf n THR 24 Cb 0.39 -0.63 0.58 0.00 -2.10 0.00 0.00 70.33 68.56 1kkf n THR 24 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1kkf h GLU 25 N 0.00 0.26 -0.18 -0.78 4.81 -1.74 0.37 114.58 117.31 1kkf h GLU 25 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1kkf h GLU 25 Cb 0.20 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1kkf h GLU 25 CO 0.00 0.17 0.00 0.54 -0.73 0.00 0.00 179.01 178.99 1kkf n ARG 26 N -4.58 1.76 -2.84 1.92 1.74 -1.25 -5.01 116.66 108.40 1kkf n ARG 26 Ca 0.28 -1.73 -0.31 0.00 -0.77 0.00 0.00 57.85 55.32 1kkf n ARG 26 Cb 1.07 -1.33 -0.03 0.00 -1.02 0.00 0.00 32.46 31.14 1kkf n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1kkf s ALA 27 N -1.20 3.32 -0.24 7.54 0.00 0.13 -4.67 121.76 126.64 1kkf s ALA 27 Ca 0.23 -0.15 0.07 0.00 0.00 0.00 0.00 51.96 52.12 1kkf s ALA 27 Cb 0.14 -2.75 -0.20 0.00 0.00 0.00 0.00 23.12 20.32 1kkf s ALA 27 CO 0.21 0.00 -0.13 1.17 0.00 0.00 0.00 175.76 177.01 1kkf n LYS 28 N -1.23 0.66 -4.15 0.00 0.00 -0.12 -4.37 118.16 108.95 1kkf n LYS 28 Ca 0.03 0.10 -0.12 0.00 0.00 0.00 0.00 58.31 58.32 1kkf n LYS 28 Cb 0.54 -1.52 -0.10 0.00 0.00 0.00 0.00 35.03 33.94 1kkf n LYS 28 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1kkf s TYR 29 N -2.51 0.88 -0.04 5.64 2.02 -1.17 -0.32 117.35 121.84 1kkf s TYR 29 Ca -0.27 -0.77 0.01 0.00 -0.37 0.00 0.00 57.07 55.66 1kkf s TYR 29 Cb 0.08 -0.50 0.02 0.00 -0.40 0.00 0.00 41.96 41.16 1kkf s TYR 29 CO 0.67 -0.10 -0.02 0.08 -1.57 0.00 0.00 175.55 174.61 1kkf s VAL 30 N -2.91 0.33 -0.04 0.71 1.01 -0.92 -1.15 120.40 117.43 1kkf s VAL 30 Ca 0.06 0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.09 1kkf s VAL 30 Cb 0.00 -0.40 -0.00 0.00 0.00 0.00 0.00 36.38 35.98 1kkf s VAL 30 CO -0.03 0.18 -0.18 -0.69 0.00 0.00 0.00 175.10 174.39 1kkf s VAL 31 N 1.03 1.46 -0.16 2.92 1.01 0.20 0.29 120.40 127.14 1kkf s VAL 31 Ca -0.10 -0.74 -0.10 0.00 0.00 0.00 0.00 61.98 61.05 1kkf s VAL 31 Cb -0.14 -1.26 -0.05 0.00 0.00 0.00 0.00 36.38 34.94 1kkf s VAL 31 CO -0.01 0.42 0.17 -0.13 0.00 0.00 0.00 175.10 175.55 1kkf s ARG 32 N 0.02 4.01 0.00 2.72 1.81 -0.10 0.16 118.95 127.56 1kkf s ARG 32 Ca -0.04 -0.11 0.00 0.00 -1.72 0.00 0.00 55.73 53.86 1kkf s ARG 32 Cb -0.11 -3.36 0.00 0.00 -0.45 0.00 0.00 34.95 31.03 1kkf s ARG 32 CO 0.02 0.42 0.19 2.48 -0.68 0.00 0.00 175.30 177.73 1kkf n TYR 33 N 3.09 0.00 -3.60 -0.53 0.18 -1.26 -0.44 117.16 114.60 1kkf n TYR 33 Ca -0.16 0.00 -0.09 0.00 1.88 0.00 0.00 57.90 59.53 1kkf n TYR 33 Cb 0.53 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.47 1kkf n TYR 33 CO 0.00 0.00 0.00 1.14 -2.08 0.00 0.00 176.86 175.92 1kkf s GLN 34 N -0.59 1.34 0.49 -3.48 1.03 -1.26 -3.73 119.66 113.45 1kkf s GLN 34 Ca 0.00 -0.61 0.00 0.00 0.04 0.00 0.00 55.36 54.79 1kkf s GLN 34 Cb 0.00 0.54 0.00 0.00 0.03 0.00 0.00 33.01 33.58 1kkf s GLN 34 CO 0.00 -0.60 0.00 0.41 -2.54 0.00 0.00 175.29 172.56 1kkf n GLY 35 N -0.39 -2.09 0.00 2.60 0.00 -1.26 -4.47 105.19 99.58 1kkf n GLY 35 Ca -0.10 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.20 1kkf n GLY 35 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kkf n GLY 36 N -0.08 4.44 1.80 -0.02 0.00 -1.26 -0.72 105.19 109.36 1kkf n GLY 36 Ca 0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 46.02 45.52 1kkf n GLY 36 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1kkf n HIS 37 N 0.00 2.04 0.08 1.61 1.44 -1.26 -3.73 115.22 115.40 1kkf n HIS 37 Ca 0.00 -0.93 -0.05 0.00 -2.01 0.00 0.00 57.72 54.73 1kkf n HIS 37 Cb 0.00 -0.57 -0.09 0.00 0.12 0.00 0.00 29.99 29.45 1kkf n HIS 37 CO 0.00 0.00 0.00 -2.95 -2.81 0.00 0.00 176.34 170.58 1kkf h ASN 38 N 2.64 0.00 -4.25 4.39 -1.07 -1.95 -3.45 115.58 111.89 1kkf h ASN 38 Ca 0.17 0.00 -0.51 0.00 0.07 0.00 0.00 56.30 56.03 1kkf h ASN 38 Cb 2.02 0.00 0.14 0.00 -2.07 0.00 0.00 38.32 38.41 1kkf h ASN 38 CO 0.58 0.87 0.29 0.00 0.07 0.00 0.00 177.43 179.25 1kkf s ALA 39 N -2.77 2.02 -0.38 4.14 0.00 -1.24 -4.75 121.76 118.78 1kkf s ALA 39 Ca 0.01 0.21 0.05 0.00 0.00 0.00 0.00 51.96 52.24 1kkf s ALA 39 Cb 0.09 -3.27 0.16 0.00 0.00 0.00 0.00 23.12 20.11 1kkf s ALA 39 CO 0.80 -1.99 0.46 0.20 0.00 0.00 0.00 175.76 175.24 1kkf s GLY 40 N -3.34 -0.47 -0.16 0.00 0.00 -1.26 -4.42 107.32 97.67 1kkf s GLY 40 Ca 0.62 -0.49 -0.17 0.00 0.00 0.00 0.00 44.72 44.68 1kkf s GLY 40 CO 0.56 3.07 0.44 0.30 0.00 0.00 0.00 173.10 177.47 1kkf s HIS 41 N 1.66 3.45 -0.28 1.90 3.76 0.24 -4.69 115.29 121.33 1kkf s HIS 41 Ca 0.16 0.77 -0.07 0.00 -0.15 0.00 0.00 55.06 55.77 1kkf s HIS 41 Cb -0.11 -2.54 -0.01 0.00 1.11 0.00 0.00 32.58 31.03 1kkf s HIS 41 CO -0.07 0.09 0.08 0.99 -0.85 0.00 0.00 174.74 174.99 1kkf s THR 42 N 0.92 4.16 0.01 1.30 2.01 -1.26 0.57 115.64 123.35 1kkf s THR 42 Ca 0.23 -0.44 -0.00 0.00 0.31 0.00 0.00 61.69 61.79 1kkf s THR 42 Cb -0.15 -3.05 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 1kkf s THR 42 CO 0.09 0.20 0.08 -0.76 -0.69 0.00 0.00 174.62 173.54 1kkf s LEU 43 N 1.56 3.90 -0.13 4.42 1.43 0.23 -3.89 118.68 126.20 1kkf s LEU 43 Ca 0.05 0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 53.24 1kkf s LEU 43 Cb -0.16 -2.31 0.06 0.00 0.03 0.00 0.00 46.19 43.80 1kkf s LEU 43 CO 0.03 0.26 0.13 -0.69 0.23 0.00 0.00 176.35 176.31 1kkf s VAL 44 N -1.22 -0.18 -0.10 -1.59 1.01 -1.26 -0.36 120.40 116.69 1kkf s VAL 44 Ca 0.24 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.34 1kkf s VAL 44 Cb -0.12 -0.43 0.01 0.00 0.00 0.00 0.00 36.38 35.84 1kkf s VAL 44 CO 0.15 -0.06 -0.18 -0.63 0.00 0.00 0.00 175.10 174.38 1kkf s ILE 45 N 2.22 1.63 -1.04 2.22 1.01 0.23 -1.25 121.20 126.22 1kkf s ILE 45 Ca 0.04 -0.74 -0.05 0.00 0.00 0.00 0.00 60.65 59.89 1kkf s ILE 45 Cb -0.14 -1.46 0.04 0.00 0.01 0.00 0.00 42.46 40.91 1kkf s ILE 45 CO -0.08 0.47 0.26 0.59 0.00 0.00 0.00 174.94 176.18 1kkf n ASN 46 N 3.95 -3.33 0.00 3.58 4.13 -1.26 0.18 115.26 122.51 1kkf n ASN 46 Ca -0.20 -0.09 0.00 0.00 1.68 0.00 0.00 54.58 55.97 1kkf n ASN 46 Cb 0.52 -2.82 0.00 0.00 -1.54 0.00 0.00 39.78 35.94 1kkf n ASN 46 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1kkf n GLY 47 N -0.95 1.62 3.68 7.41 0.00 -1.26 -5.00 105.19 110.69 1kkf n GLY 47 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 1kkf n GLY 47 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1kkf s GLU 48 N -0.21 4.28 -0.15 1.61 2.12 0.46 -5.04 118.70 121.78 1kkf s GLU 48 Ca 0.00 0.64 -0.08 0.00 0.36 0.00 0.00 54.97 55.89 1kkf s GLU 48 Cb 0.00 -3.52 -0.04 0.00 0.26 0.00 0.00 34.13 30.82 1kkf s GLU 48 CO 0.00 -0.10 0.14 0.21 -0.54 0.00 0.00 175.26 174.97 1kkf s LYS 49 N 1.43 3.71 -0.07 4.30 2.20 -1.26 -0.60 119.74 129.45 1kkf s LYS 49 Ca 0.30 -0.16 0.01 0.00 -0.36 0.00 0.00 55.97 55.76 1kkf s LYS 49 Cb -0.16 -3.27 0.02 0.00 -1.51 0.00 0.00 37.83 32.91 1kkf s LYS 49 CO 0.12 0.61 -0.09 0.99 -0.36 0.00 0.00 175.35 176.62 1kkf s THR 50 N -0.53 0.93 -0.29 3.43 2.01 0.51 -4.98 115.64 116.72 1kkf s THR 50 Ca 0.13 -0.33 -0.03 0.00 0.31 0.00 0.00 61.69 61.77 1kkf s THR 50 Cb -0.12 -0.90 0.03 0.00 0.01 0.00 0.00 72.50 71.53 1kkf s THR 50 CO 0.02 0.32 0.01 -0.69 -0.69 0.00 0.00 174.62 173.59 1kkf s VAL 51 N 0.99 3.24 0.23 3.82 1.01 -1.26 0.77 120.40 129.20 1kkf s VAL 51 Ca -0.09 -1.11 0.02 0.00 0.00 0.00 0.00 61.98 60.81 1kkf s VAL 51 Cb -0.15 -2.76 -0.03 0.00 0.00 0.00 0.00 36.38 33.44 1kkf s VAL 51 CO 0.00 0.01 0.38 -0.76 0.00 0.00 0.00 175.10 174.73 1kkf s LEU 52 N 1.34 4.26 0.03 3.92 1.43 0.19 -4.92 118.68 124.94 1kkf s LEU 52 Ca -0.02 0.22 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 1kkf s LEU 52 Cb -0.18 -3.01 0.00 0.00 0.03 0.00 0.00 46.19 43.03 1kkf s LEU 52 CO -0.01 -0.07 0.00 1.41 0.23 0.00 0.00 176.35 177.91 1kkf n HIS 53 N -1.09 -0.20 -0.03 0.29 8.25 -1.26 -0.59 115.22 120.58 1kkf n HIS 53 Ca -0.07 0.04 -0.14 0.00 -0.26 0.00 0.00 57.72 57.29 1kkf n HIS 53 Cb 0.55 0.26 -0.14 0.00 1.12 0.00 0.00 29.99 31.78 1kkf n HIS 53 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1kkf n LEU 54 N -2.65 1.54 -4.72 2.41 7.94 -1.26 -4.52 117.00 115.73 1kkf n LEU 54 Ca 0.00 0.26 -0.42 0.00 -1.11 0.00 0.00 56.01 54.74 1kkf n LEU 54 Cb 0.00 -0.32 -0.03 0.00 0.53 0.00 0.00 43.42 43.60 1kkf n LEU 54 CO 0.00 0.60 1.00 -0.63 -1.11 0.00 0.00 177.39 177.25 1kkf s ILE 55 N -2.57 3.45 0.69 1.96 -1.09 -1.26 -4.98 121.20 117.40 1kkf s ILE 55 Ca -0.13 1.08 -0.17 0.00 -2.23 0.00 0.00 60.65 59.20 1kkf s ILE 55 Cb 0.07 -3.69 -0.00 0.00 -1.58 0.00 0.00 42.46 37.26 1kkf s ILE 55 CO 0.79 0.11 1.06 -2.65 -1.23 0.00 0.00 174.94 173.02 1kkf n PRO 56 N 3.55 0.69 0.00 2.79 -0.02 -1.26 -4.87 135.00 135.88 1kkf n PRO 56 Ca 0.09 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.86 1kkf n PRO 56 Cb 0.43 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 1kkf n PRO 56 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1kkf n SER 57 N -1.70 0.91 -0.29 2.55 7.64 -1.26 -3.05 113.62 118.42 1kkf n SER 57 Ca 0.14 -1.83 0.07 0.00 1.01 0.00 0.00 58.87 58.25 1kkf n SER 57 Cb 0.49 -0.46 0.13 0.00 -1.01 0.00 0.00 64.21 63.36 1kkf n SER 57 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1kkf n GLY 58 N 0.04 3.99 0.22 0.23 0.00 -1.26 -3.02 105.19 105.40 1kkf n GLY 58 Ca 0.00 -0.74 0.15 0.00 0.00 0.00 0.00 46.02 45.43 1kkf n GLY 58 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1kkf h ILE 59 N 0.60 0.00 -0.09 -0.61 6.09 -1.88 -2.74 117.51 118.88 1kkf h ILE 59 Ca 0.00 -0.53 0.00 0.00 -1.37 0.00 0.00 64.86 62.96 1kkf h ILE 59 Cb 0.93 1.47 0.00 0.00 0.47 0.00 0.00 36.82 39.70 1kkf h ILE 59 CO 0.05 0.00 0.00 0.18 -3.07 0.00 0.00 178.15 175.31 1kkf n LEU 60 N -2.85 0.87 -4.22 2.19 4.77 -1.26 -4.76 117.00 111.74 1kkf n LEU 60 Ca 0.02 -0.37 -0.34 0.00 -0.03 0.00 0.00 56.01 55.30 1kkf n LEU 60 Cb 0.34 -0.06 -0.15 0.00 -2.33 0.00 0.00 43.42 41.22 1kkf n LEU 60 CO 0.27 0.18 -0.46 -0.13 -1.33 0.00 0.00 177.39 175.92 1kkf s ARG 61 N -1.89 3.18 0.34 3.23 0.52 -1.04 -4.99 118.95 118.31 1kkf s ARG 61 Ca 0.30 -0.73 0.04 0.00 -0.52 0.00 0.00 55.73 54.81 1kkf s ARG 61 Cb 0.15 -2.76 0.66 0.00 0.52 0.00 0.00 34.95 33.52 1kkf s ARG 61 CO 0.24 -0.17 1.96 1.49 0.02 0.00 0.00 175.30 178.83 1kkf h GLU 62 N 7.91 0.84 0.00 3.54 4.57 -1.86 -2.49 114.58 127.08 1kkf h GLU 62 Ca -0.42 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.71 1kkf h GLU 62 Cb 1.16 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 29.56 1kkf h GLU 62 CO 0.61 0.55 0.00 0.27 -1.18 0.00 0.00 179.01 179.27 1kkf n ASN 63 N -4.47 0.22 -4.59 1.04 6.94 -1.26 -4.78 115.26 108.36 1kkf n ASN 63 Ca 0.11 0.53 -0.34 0.00 -0.02 0.00 0.00 54.58 54.85 1kkf n ASN 63 Cb 0.18 -0.59 -0.11 0.00 -2.36 0.00 0.00 39.78 36.90 1kkf n ASN 63 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1kkf s VAL 64 N -3.05 4.33 -0.26 3.53 1.01 -0.94 -4.61 120.40 120.41 1kkf s VAL 64 Ca 0.11 -0.21 -0.18 0.00 0.00 0.00 0.00 61.98 61.70 1kkf s VAL 64 Cb 0.15 -2.91 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 1kkf s VAL 64 CO 0.47 0.50 0.53 -0.89 0.00 0.00 0.00 175.10 175.71 1kkf s THR 65 N 0.14 5.06 -0.00 3.92 2.01 0.56 -4.87 115.64 122.45 1kkf s THR 65 Ca 0.02 0.91 -0.23 0.00 0.31 0.00 0.00 61.69 62.69 1kkf s THR 65 Cb -0.13 -3.85 -0.05 0.00 0.01 0.00 0.00 72.50 68.49 1kkf s THR 65 CO 0.02 0.07 0.68 -0.44 -0.69 0.00 0.00 174.62 174.26 1kkf s SER 66 N 1.54 7.06 -0.06 3.53 0.01 0.14 -2.17 113.70 123.76 1kkf s SER 66 Ca 0.22 1.27 0.04 0.00 1.31 0.00 0.00 55.95 58.79 1kkf s SER 66 Cb -0.16 -2.41 -0.00 0.00 0.21 0.00 0.00 66.02 63.66 1kkf s SER 66 CO 0.09 0.02 -0.18 -0.63 0.41 0.00 0.00 173.24 172.95 1kkf s ILE 67 N 0.10 1.52 -0.47 1.44 1.01 0.14 0.26 121.20 125.20 1kkf s ILE 67 Ca 0.35 -0.74 -0.09 0.00 0.00 0.00 0.00 60.65 60.17 1kkf s ILE 67 Cb -0.19 -1.31 0.12 0.00 0.01 0.00 0.00 42.46 41.09 1kkf s ILE 67 CO 0.19 0.44 0.33 -0.63 0.00 0.00 0.00 174.94 175.27 1kkf s ILE 68 N 0.18 4.13 0.89 2.92 1.01 -0.85 -0.92 121.20 128.56 1kkf s ILE 68 Ca -0.08 -1.81 -0.12 0.00 0.00 0.00 0.00 60.65 58.64 1kkf s ILE 68 Cb -0.13 -3.73 0.13 0.00 0.01 0.00 0.00 42.46 38.73 1kkf s ILE 68 CO 0.04 -0.77 1.10 -0.83 0.00 0.00 0.00 174.94 174.48 1kkf s GLY 69 N 2.60 1.60 0.55 6.18 0.00 0.41 -1.57 107.32 117.09 1kkf s GLY 69 Ca 0.06 -0.26 0.28 0.00 0.00 0.00 0.00 44.72 44.80 1kkf s GLY 69 CO -0.01 0.26 1.96 3.45 0.00 0.00 0.00 173.10 178.76 1kkf h ASN 70 N -1.49 0.00 0.61 1.64 -1.07 -1.77 -1.66 115.58 111.84 1kkf h ASN 70 Ca -0.50 0.00 -0.02 0.00 0.07 0.00 0.00 56.30 55.85 1kkf h ASN 70 Cb 1.30 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.55 1kkf h ASN 70 CO 0.58 0.00 -0.10 1.23 0.07 0.00 0.00 177.43 179.21 1kkf h GLY 71 N 0.00 0.00 -4.12 9.14 0.00 -1.44 -3.36 103.07 103.30 1kkf h GLY 71 Ca 0.25 0.00 -0.52 0.00 0.00 0.00 0.00 47.33 47.06 1kkf h GLY 71 CO -0.00 0.00 0.56 0.14 0.00 0.00 0.00 176.54 177.24 1kkf s VAL 72 N -3.93 3.50 -0.38 4.60 1.01 -0.63 -4.30 120.40 120.28 1kkf s VAL 72 Ca -0.01 1.29 -0.21 0.00 0.00 0.00 0.00 61.98 63.05 1kkf s VAL 72 Cb 0.11 -3.82 0.01 0.00 0.00 0.00 0.00 36.38 32.68 1kkf s VAL 72 CO 0.56 0.22 0.64 0.68 0.00 0.00 0.00 175.10 177.20 1kkf s VAL 73 N -0.18 4.87 -0.25 2.92 -7.23 0.10 -3.62 120.40 117.02 1kkf s VAL 73 Ca 0.52 0.47 -0.12 0.00 -1.81 0.00 0.00 61.98 61.04 1kkf s VAL 73 Cb -0.33 -4.11 -0.05 0.00 0.56 0.00 0.00 36.38 32.45 1kkf s VAL 73 CO 0.38 -0.39 0.25 -0.22 -0.31 0.00 0.00 175.10 174.81 1kkf s LEU 74 N 2.75 4.09 -0.40 1.32 0.20 0.14 -4.37 118.68 122.41 1kkf s LEU 74 Ca 0.24 0.20 -0.16 0.00 0.69 0.00 0.00 54.13 55.10 1kkf s LEU 74 Cb -0.14 -2.25 0.01 0.00 -0.43 0.00 0.00 46.19 43.38 1kkf s LEU 74 CO 0.16 -0.03 0.35 -0.55 -0.29 0.00 0.00 176.35 175.98 1kkf s SER 75 N 1.31 6.14 0.34 3.68 0.15 -1.26 -0.11 113.70 123.95 1kkf s SER 75 Ca 0.11 -0.68 0.05 0.00 0.70 0.00 0.00 55.95 56.13 1kkf s SER 75 Cb -0.15 -2.18 0.70 0.00 -1.71 0.00 0.00 66.02 62.68 1kkf s SER 75 CO 0.08 -0.46 1.91 -0.65 1.20 0.00 0.00 173.24 175.32 1kkf h PRO 76 N 8.63 0.80 -0.08 5.44 0.11 -1.98 -0.61 132.00 144.31 1kkf h PRO 76 Ca -0.28 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 1kkf h PRO 76 Cb 1.12 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 1kkf h PRO 76 CO 0.74 0.53 0.02 0.00 -0.21 0.00 0.00 178.00 179.07 1kkf h ALA 77 N 1.57 0.10 -0.69 -0.75 0.00 -1.93 -0.98 119.26 116.58 1kkf h ALA 77 Ca 0.39 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.21 1kkf h ALA 77 Cb 0.40 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1kkf h ALA 77 CO -0.15 -0.27 0.41 0.00 0.00 0.00 0.00 179.25 179.24 1kkf h ALA 78 N 0.80 0.92 0.82 0.00 0.00 -1.81 -0.93 119.26 119.06 1kkf h ALA 78 Ca 0.02 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1kkf h ALA 78 Cb 0.25 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1kkf h ALA 78 CO 0.00 0.14 -0.40 1.25 0.00 0.00 0.00 179.25 180.24 1kkf h LEU 79 N 0.78 -0.94 -1.25 0.00 5.85 -0.89 -1.87 115.31 117.00 1kkf h LEU 79 Ca 0.29 0.03 0.12 0.00 0.84 0.00 0.00 57.88 59.16 1kkf h LEU 79 Cb 0.10 0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.31 1kkf h LEU 79 CO -0.14 -0.66 0.57 0.24 -0.34 0.00 0.00 178.44 178.11 1kkf h MET 80 N -1.13 0.75 -0.28 1.25 2.86 -0.99 0.86 114.93 118.26 1kkf h MET 80 Ca -0.11 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.44 1kkf h MET 80 Cb 0.85 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.33 1kkf h MET 80 CO 0.19 0.50 0.01 -0.22 1.06 0.00 0.00 176.91 178.44 1kkf h LYS 81 N 0.77 0.48 -0.30 1.72 3.64 -1.06 -2.38 116.57 119.43 1kkf h LYS 81 Ca 0.43 -0.15 -0.15 0.00 -1.27 0.00 0.00 60.65 59.51 1kkf h LYS 81 Cb 0.58 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.35 1kkf h LYS 81 CO -0.19 0.63 -0.39 0.93 -2.27 0.00 0.00 179.45 178.15 1kkf h GLU 82 N 0.27 0.80 0.09 1.90 5.08 -0.43 -2.92 114.58 119.37 1kkf h GLU 82 Ca 0.08 -0.46 0.02 0.00 -1.00 0.00 0.00 59.36 58.00 1kkf h GLU 82 Cb 0.40 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1kkf h GLU 82 CO 0.01 1.09 -0.24 0.52 -1.00 0.00 0.00 179.01 179.39 1kkf h MET 83 N 0.57 -0.41 0.16 2.33 2.86 -0.88 -0.68 114.93 118.88 1kkf h MET 83 Ca 0.04 0.03 0.02 0.00 -2.06 0.00 0.00 59.70 57.72 1kkf h MET 83 Cb 0.98 0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.70 1kkf h MET 83 CO 0.09 -0.27 -0.37 0.87 1.06 0.00 0.00 176.91 178.29 1kkf h LYS 84 N -0.43 -0.60 -0.74 1.72 1.57 -1.48 0.30 116.57 116.91 1kkf h LYS 84 Ca 0.04 0.04 0.15 0.00 -1.87 0.00 0.00 60.65 59.01 1kkf h LYS 84 Cb 0.47 0.14 -0.10 0.00 0.08 0.00 0.00 32.23 32.81 1kkf h LYS 84 CO -0.16 -0.40 0.24 0.93 -0.57 0.00 0.00 179.45 179.49 1kkf h GLU 85 N -0.62 0.34 -0.30 3.15 5.08 -1.33 0.23 114.58 121.12 1kkf h GLU 85 Ca 0.02 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 1kkf h GLU 85 Cb 0.64 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1kkf h GLU 85 CO -0.19 0.23 -0.17 -0.07 -1.00 0.00 0.00 179.01 177.80 1kkf h LEU 86 N 0.35 0.67 -0.57 1.33 3.38 -0.57 -2.97 115.31 116.93 1kkf h LEU 86 Ca 0.41 -0.42 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1kkf h LEU 86 Cb 0.66 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1kkf h LEU 86 CO -0.45 0.95 0.35 -0.33 0.09 0.00 0.00 178.44 179.05 1kkf h GLU 87 N 0.39 0.69 0.00 1.13 5.08 0.83 -0.63 114.58 122.06 1kkf h GLU 87 Ca 0.06 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1kkf h GLU 87 Cb 0.71 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1kkf h GLU 87 CO 0.05 0.45 0.00 -0.44 -1.00 0.00 0.00 179.01 178.07 1kkf h ASP 88 N 0.71 0.00 -0.53 1.42 3.45 -0.56 0.19 116.42 121.10 1kkf h ASP 88 Ca 0.22 0.00 -0.01 0.00 0.43 0.00 0.00 57.03 57.67 1kkf h ASP 88 Cb -0.01 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.75 1kkf h ASP 88 CO -0.08 0.00 0.02 0.54 -1.57 0.00 0.00 179.24 178.14 1kkf n ARG 89 N -3.06 4.47 -0.89 3.56 1.74 -0.42 -4.93 116.66 117.13 1kkf n ARG 89 Ca -0.02 -3.11 0.00 0.00 -0.77 0.00 0.00 57.85 53.94 1kkf n ARG 89 Cb 0.10 -2.19 0.00 0.00 -1.02 0.00 0.00 32.46 29.35 1kkf n ARG 89 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1kkf n GLY 90 N 0.35 0.83 3.56 -0.13 0.00 0.68 -5.02 105.19 105.46 1kkf n GLY 90 Ca 0.28 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 1kkf n GLY 90 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kkf s ILE 91 N -3.27 5.09 -1.26 -0.61 1.09 -0.38 -4.98 121.20 116.87 1kkf s ILE 91 Ca 0.00 0.31 -0.17 0.00 -1.10 0.00 0.00 60.65 59.69 1kkf s ILE 91 Cb 0.00 -3.88 0.09 0.00 -1.06 0.00 0.00 42.46 37.61 1kkf s ILE 91 CO 0.00 -0.11 1.66 -2.16 -0.10 0.00 0.00 174.94 174.23 1kkf s PRO 92 N 2.23 3.99 0.12 2.79 0.04 -1.26 -2.59 135.00 140.32 1kkf s PRO 92 Ca 0.16 -2.07 -0.30 0.00 0.04 0.00 0.00 61.00 58.83 1kkf s PRO 92 Cb -0.16 -5.43 -0.08 0.00 0.04 0.00 0.00 34.50 28.87 1kkf s PRO 92 CO 0.12 -2.16 1.58 0.28 0.04 0.00 0.00 177.00 176.87 1kkf h VAL 93 N 5.45 0.13 -1.07 -0.36 2.07 -1.91 -1.75 116.25 118.80 1kkf h VAL 93 Ca 0.41 0.00 0.38 0.00 0.82 0.00 0.00 66.70 68.30 1kkf h VAL 93 Cb 0.88 0.13 -0.15 0.00 -1.52 0.00 0.00 31.29 30.63 1kkf h VAL 93 CO 1.41 0.00 0.63 0.03 0.02 0.00 0.00 177.57 179.66 1kkf h ARG 94 N -0.58 0.17 0.00 1.57 3.08 -1.89 0.19 114.38 116.92 1kkf h ARG 94 Ca 0.05 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.97 1kkf h ARG 94 Cb 0.66 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 1kkf h ARG 94 CO -0.33 0.11 -0.58 0.93 -1.07 0.00 0.00 179.97 179.03 1kkf h GLU 95 N 0.17 0.00 -0.09 0.04 3.07 -1.74 -3.36 114.58 112.68 1kkf h GLU 95 Ca 0.79 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.65 1kkf h GLU 95 Cb 2.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.96 1kkf h GLU 95 CO -0.60 0.58 0.00 2.89 -1.40 0.00 0.00 179.01 180.47 1kkf n ARG 96 N -3.48 2.84 -5.22 2.33 1.85 0.52 -5.01 116.66 110.49 1kkf n ARG 96 Ca 0.00 -1.74 -0.32 0.00 -1.00 0.00 0.00 57.85 54.79 1kkf n ARG 96 Cb 0.67 -1.12 -0.17 0.00 -1.05 0.00 0.00 32.46 30.79 1kkf n ARG 96 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1kkf s LEU 97 N -1.19 2.11 0.24 2.89 2.96 -0.35 0.29 118.68 125.63 1kkf s LEU 97 Ca 0.09 -0.53 0.11 0.00 -0.22 0.00 0.00 54.13 53.58 1kkf s LEU 97 Cb 0.06 -1.40 -0.05 0.00 0.50 0.00 0.00 46.19 45.30 1kkf s LEU 97 CO 0.04 0.20 -0.19 -0.76 -1.32 0.00 0.00 176.35 174.32 1kkf s LEU 98 N 0.12 2.61 0.04 -0.68 1.43 0.14 -4.76 118.68 117.57 1kkf s LEU 98 Ca -0.12 -0.90 -0.09 0.00 -1.03 0.00 0.00 54.13 51.98 1kkf s LEU 98 Cb -0.16 -1.22 0.00 0.00 0.03 0.00 0.00 46.19 44.85 1kkf s LEU 98 CO 0.07 0.07 0.19 -1.48 0.23 0.00 0.00 176.35 175.43 1kkf s LEU 99 N -3.15 1.39 0.05 1.79 0.05 0.68 -2.01 118.68 117.47 1kkf s LEU 99 Ca 0.26 -0.38 -0.24 0.00 0.05 0.00 0.00 54.13 53.82 1kkf s LEU 99 Cb -0.06 0.94 -0.06 0.00 -2.05 0.00 0.00 46.19 44.96 1kkf s LEU 99 CO 0.13 -0.56 0.75 -0.55 -0.55 0.00 0.00 176.35 175.57 1kkf s SER 100 N -2.09 7.20 0.06 1.48 0.15 -0.61 -0.93 113.70 118.95 1kkf s SER 100 Ca -0.05 1.43 0.19 0.00 0.70 0.00 0.00 55.95 58.22 1kkf s SER 100 Cb -0.01 -2.46 0.79 0.00 -1.71 0.00 0.00 66.02 62.63 1kkf s SER 100 CO -0.04 0.04 1.59 -1.84 1.20 0.00 0.00 173.24 174.20 1kkf n GLU 101 N 2.68 0.05 0.15 5.44 0.28 -1.26 -2.20 120.64 125.79 1kkf n GLU 101 Ca -0.03 0.24 0.12 0.00 -0.16 0.00 0.00 57.16 57.33 1kkf n GLU 101 Cb 0.50 -1.58 0.19 0.00 1.43 0.00 0.00 31.44 31.98 1kkf n GLU 101 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1kkf h ALA 102 N 2.53 0.85 -2.28 -1.84 0.00 -1.91 0.16 119.26 116.77 1kkf h ALA 102 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.33 1kkf h ALA 102 Cb 0.33 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.17 1kkf h ALA 102 CO 0.00 0.00 0.94 0.00 0.00 0.00 0.00 179.25 180.19 1kkf s PRO 104 N 2.03 2.90 -0.18 0.00 0.02 -1.24 -1.36 135.00 137.17 1kkf s PRO 104 Ca 0.82 1.57 -0.10 0.00 0.02 0.00 0.00 61.00 63.32 1kkf s PRO 104 Cb -0.63 -1.95 -0.05 0.00 0.02 0.00 0.00 34.50 31.89 1kkf s PRO 104 CO 0.41 -1.20 0.14 -0.51 -0.33 0.00 0.00 177.00 175.51 1kkf s LEU 105 N -4.47 4.26 -0.30 -5.54 1.43 0.16 0.23 118.68 114.45 1kkf s LEU 105 Ca 0.71 0.31 -0.15 0.00 -1.03 0.00 0.00 54.13 53.97 1kkf s LEU 105 Cb -0.24 -2.11 -0.02 0.00 0.03 0.00 0.00 46.19 43.85 1kkf s LEU 105 CO 0.36 0.23 0.38 -0.63 0.23 0.00 0.00 176.35 176.93 1kkf s ILE 106 N 0.03 5.15 0.42 -0.59 1.01 0.84 -4.74 121.20 123.32 1kkf s ILE 106 Ca 0.10 0.36 0.07 0.00 0.00 0.00 0.00 60.65 61.18 1kkf s ILE 106 Cb -0.11 -3.77 -0.06 0.00 0.01 0.00 0.00 42.46 38.53 1kkf s ILE 106 CO -0.00 0.03 0.11 -0.76 0.00 0.00 0.00 174.94 174.32 1kkf s LEU 107 N 2.09 2.98 0.31 2.97 1.43 -1.26 -4.14 118.68 123.05 1kkf s LEU 107 Ca 0.14 -1.22 0.07 0.00 -1.03 0.00 0.00 54.13 52.09 1kkf s LEU 107 Cb -0.16 -1.19 0.79 0.00 0.03 0.00 0.00 46.19 45.66 1kkf s LEU 107 CO 0.11 -0.54 1.75 0.44 0.23 0.00 0.00 176.35 178.35 1kkf h ASP 108 N 1.54 0.71 -0.10 2.29 3.45 -1.97 -0.44 116.42 121.90 1kkf h ASP 108 Ca -0.43 0.12 0.03 0.00 0.43 0.00 0.00 57.03 57.17 1kkf h ASP 108 Cb 1.25 -0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 40.02 1kkf h ASP 108 CO 0.74 0.19 0.08 0.10 -1.57 0.00 0.00 179.24 178.78 1kkf h TYR 109 N 0.67 0.00 -0.26 4.55 -0.00 -1.96 -0.18 116.97 119.79 1kkf h TYR 109 Ca 0.60 0.00 -0.08 0.00 0.00 0.00 0.00 58.73 59.25 1kkf h TYR 109 Cb 1.04 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.75 1kkf h TYR 109 CO -0.01 0.00 -0.20 0.45 -0.00 0.00 0.00 178.16 178.39 1kkf h HIS 110 N 0.00 0.52 -0.04 0.10 3.86 -1.42 -0.33 115.15 117.84 1kkf h HIS 110 Ca 0.05 -0.10 -0.18 0.00 -1.16 0.00 0.00 60.37 58.98 1kkf h HIS 110 Cb 0.21 -0.13 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 1kkf h HIS 110 CO 0.00 0.65 -0.77 0.28 0.86 0.00 0.00 177.93 178.94 1kkf h VAL 111 N 0.43 1.43 0.19 2.45 2.07 -1.09 -1.54 116.25 120.18 1kkf h VAL 111 Ca 0.07 -2.31 -0.01 0.00 0.82 0.00 0.00 66.70 65.27 1kkf h VAL 111 Cb 0.59 2.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.61 1kkf h VAL 111 CO 0.04 0.68 -0.09 0.00 0.02 0.00 0.00 177.57 178.22 1kkf h ALA 112 N 1.00 -0.25 -0.62 1.67 0.00 -0.61 0.05 119.26 120.49 1kkf h ALA 112 Ca -0.03 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 54.79 1kkf h ALA 112 Cb 1.36 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.20 1kkf h ALA 112 CO 0.12 -0.55 0.36 -0.07 0.00 0.00 0.00 179.25 179.12 1kkf h LEU 113 N -0.44 0.56 -0.53 0.00 3.38 -1.11 0.29 115.31 117.46 1kkf h LEU 113 Ca -0.03 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.97 1kkf h LEU 113 Cb 0.34 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1kkf h LEU 113 CO 0.04 0.38 0.34 -0.78 0.09 0.00 0.00 178.44 178.52 1kkf h ASP 114 N 0.69 0.59 -0.46 -0.43 -0.00 -1.11 0.11 116.42 115.82 1kkf h ASP 114 Ca 0.26 -0.01 -0.09 0.00 -0.00 0.00 0.00 57.03 57.19 1kkf h ASP 114 Cb 0.09 -0.14 -0.01 0.00 -0.00 0.00 0.00 39.33 39.26 1kkf h ASP 114 CO -0.14 0.43 -0.08 0.78 -0.00 0.00 0.00 179.24 180.24 1kkf h ASN 115 N 0.70 0.86 0.13 2.28 -0.26 -0.26 -2.40 115.58 116.63 1kkf h ASN 115 Ca 0.20 -0.35 -0.01 0.00 -0.56 0.00 0.00 56.30 55.58 1kkf h ASN 115 Cb -0.07 -0.23 0.00 0.00 -1.06 0.00 0.00 38.32 36.96 1kkf h ASN 115 CO -0.05 1.01 -0.06 0.00 -1.06 0.00 0.00 177.43 177.26 1kkf h ALA 116 N 0.89 -0.18 -0.98 -0.83 0.00 -0.08 -2.01 119.26 116.08 1kkf h ALA 116 Ca 0.12 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1kkf h ALA 116 Cb 0.61 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.42 1kkf h ALA 116 CO 0.04 -0.54 0.63 0.00 0.00 0.00 0.00 179.25 179.37 1kkf h ARG 117 N -0.28 1.30 -0.62 0.00 3.08 -0.79 0.14 114.38 117.21 1kkf h ARG 117 Ca -0.02 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 59.85 1kkf h ARG 117 Cb 0.23 -0.29 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1kkf h ARG 117 CO 0.03 0.88 0.05 0.93 -1.07 0.00 0.00 179.97 180.79 1kkf h GLU 118 N 1.34 1.06 -0.14 0.04 4.39 -1.40 -1.16 114.58 118.71 1kkf h GLU 118 Ca 0.36 -0.31 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 1kkf h GLU 118 Cb -0.12 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.42 1kkf h GLU 118 CO -0.07 1.01 0.06 -0.22 -1.16 0.00 0.00 179.01 178.63 1kkf h LYS 119 N 0.97 0.21 -0.54 2.33 3.64 -0.65 -2.88 116.57 119.65 1kkf h LYS 119 Ca 0.18 -0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.60 1kkf h LYS 119 Cb 0.50 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 1kkf h LYS 119 CO 0.02 0.30 0.36 0.00 -2.27 0.00 0.00 179.45 177.86 1kkf h ALA 120 N 0.90 1.98 0.00 5.00 0.00 -0.44 0.27 119.26 126.98 1kkf h ALA 120 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1kkf h ALA 120 Cb 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1kkf h ALA 120 CO -0.00 -0.09 0.00 0.54 0.00 0.00 0.00 179.25 179.70 1kkf n ARG 121 N -4.47 0.51 0.00 0.00 1.74 -0.47 -4.95 116.66 109.02 1kkf n ARG 121 Ca 0.08 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.20 1kkf n ARG 121 Cb 0.31 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 1kkf n ARG 121 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1kkf n GLY 122 N 0.59 3.08 0.00 -0.13 0.00 0.08 -0.33 105.19 108.48 1kkf n GLY 122 Ca 0.14 -0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.22 1kkf n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kkf n ALA 123 N 9.50 2.10 -0.69 4.61 0.00 -1.26 -2.07 120.51 132.69 1kkf n ALA 123 Ca 0.00 -0.10 0.09 0.00 0.00 0.00 0.00 53.44 53.43 1kkf n ALA 123 Cb 0.00 -1.32 0.38 0.00 0.00 0.00 0.00 19.45 18.50 1kkf n ALA 123 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1kkf n LYS 124 N -1.20 4.05 -1.68 0.00 4.76 0.55 -4.99 118.16 119.65 1kkf n LYS 124 Ca 0.11 -2.97 -0.42 0.00 -2.87 0.00 0.00 58.31 52.16 1kkf n LYS 124 Cb 0.13 -2.00 0.00 0.00 -1.84 0.00 0.00 35.03 31.32 1kkf n LYS 124 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1kkf n ALA 125 N 1.05 0.99 0.19 7.82 0.00 -0.88 -4.91 120.51 124.77 1kkf n ALA 125 Ca 0.27 0.30 0.05 0.00 0.00 0.00 0.00 53.44 54.06 1kkf n ALA 125 Cb 0.98 -2.21 0.38 0.00 0.00 0.00 0.00 19.45 18.59 1kkf n ALA 125 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1kkf h ILE 126 N 2.15 1.02 -0.76 0.00 2.04 -1.91 -3.42 117.51 116.63 1kkf h ILE 126 Ca -0.46 -1.38 0.00 0.00 1.00 0.00 0.00 64.86 64.02 1kkf h ILE 126 Cb 1.30 1.80 0.00 0.00 -0.74 0.00 0.00 36.82 39.18 1kkf h ILE 126 CO 0.60 0.36 0.00 0.61 0.00 0.00 0.00 178.15 179.73 1kkf n GLY 127 N -0.10 0.88 3.66 5.37 0.00 -1.26 -1.60 105.19 112.14 1kkf n GLY 127 Ca -0.01 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.05 1kkf n GLY 127 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1kkf s THR 128 N -2.76 2.41 -1.52 2.61 -4.23 -1.26 -4.38 115.64 106.50 1kkf s THR 128 Ca 0.00 0.13 0.20 0.00 -1.18 0.00 0.00 61.69 60.85 1kkf s THR 128 Cb 0.00 -2.46 0.39 0.00 1.34 0.00 0.00 72.50 71.77 1kkf s THR 128 CO 0.00 -0.17 1.64 0.35 -0.54 0.00 0.00 174.62 175.90 1kkf n THR 129 N -4.17 0.32 -3.00 3.99 -2.24 -1.26 -4.90 114.28 103.02 1kkf n THR 129 Ca 0.07 0.08 -0.18 0.00 -2.27 0.00 0.00 64.05 61.75 1kkf n THR 129 Cb 0.55 -0.74 0.04 0.00 -2.10 0.00 0.00 70.33 68.07 1kkf n THR 129 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kkf n GLY 130 N 0.42 -0.24 0.47 3.38 0.00 -1.26 -4.92 105.19 103.04 1kkf n GLY 130 Ca 0.11 -0.03 0.06 0.00 0.00 0.00 0.00 46.02 46.15 1kkf n GLY 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kkf n ARG 131 N -3.52 0.68 -1.02 1.61 3.00 -1.26 -4.92 116.66 111.23 1kkf n ARG 131 Ca -0.06 -1.22 -0.01 0.00 -0.01 0.00 0.00 57.85 56.55 1kkf n ARG 131 Cb 0.58 -1.23 -0.00 0.00 0.00 0.00 0.00 32.46 31.81 1kkf n ARG 131 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1kkf n GLY 132 N 0.66 0.48 0.43 -0.13 0.00 -1.26 -4.72 105.19 100.65 1kkf n GLY 132 Ca 0.07 -0.42 -0.16 0.00 0.00 0.00 0.00 46.02 45.51 1kkf n GLY 132 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1kkf h ILE 133 N 0.00 0.15 -0.15 -0.61 1.08 -1.94 -1.83 117.51 114.21 1kkf h ILE 133 Ca -0.01 0.00 0.04 0.00 -0.39 0.00 0.00 64.86 64.50 1kkf h ILE 133 Cb 0.08 0.15 -0.07 0.00 -3.07 0.00 0.00 36.82 33.91 1kkf h ILE 133 CO 0.02 0.00 -0.47 1.23 -0.69 0.00 0.00 178.15 178.24 1kkf h GLY 134 N -0.80 -0.85 1.51 5.37 0.00 -1.93 -1.71 103.07 104.65 1kkf h GLY 134 Ca -0.02 0.59 0.03 0.00 0.00 0.00 0.00 47.33 47.93 1kkf h GLY 134 CO -0.12 -0.21 0.26 -2.55 0.00 0.00 0.00 176.54 173.91 1kkf h PRO 135 N -0.52 0.38 -0.31 4.80 0.11 -1.82 -1.30 132.00 133.32 1kkf h PRO 135 Ca 0.06 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.12 1kkf h PRO 135 Cb 0.65 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 1kkf h PRO 135 CO -0.43 0.25 0.09 0.00 -0.21 0.00 0.00 178.00 177.71 1kkf h ALA 136 N 1.78 0.41 -0.72 -0.75 0.00 -0.47 -0.97 119.26 118.53 1kkf h ALA 136 Ca 0.16 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1kkf h ALA 136 Cb 0.15 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1kkf h ALA 136 CO -0.04 0.05 0.28 1.88 0.00 0.00 0.00 179.25 181.43 1kkf h TYR 137 N 0.35 1.11 -0.01 0.00 -1.99 -0.70 0.10 116.97 115.84 1kkf h TYR 137 Ca 0.10 -0.09 0.02 0.00 2.00 0.00 0.00 58.73 60.77 1kkf h TYR 137 Cb 0.26 -0.33 -0.03 0.00 2.00 0.00 0.00 36.73 38.62 1kkf h TYR 137 CO 0.01 0.86 -0.15 0.93 -0.00 0.00 0.00 178.16 179.80 1kkf h GLU 138 N 1.04 -0.24 -1.00 4.88 5.08 -1.05 0.23 114.58 123.51 1kkf h GLU 138 Ca 0.24 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.63 1kkf h GLU 138 Cb 0.22 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 1kkf h GLU 138 CO -0.02 -0.16 0.66 -0.44 -1.00 0.00 0.00 179.01 178.05 1kkf h ASP 139 N -0.25 1.14 0.37 1.42 3.45 -0.84 0.31 116.42 122.01 1kkf h ASP 139 Ca 0.05 -0.03 -0.00 0.00 0.43 0.00 0.00 57.03 57.48 1kkf h ASP 139 Cb 0.32 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.79 1kkf h ASP 139 CO -0.15 0.81 -0.34 0.50 -1.57 0.00 0.00 179.24 178.49 1kkf h LYS 140 N 1.34 -0.70 -0.50 3.56 3.64 0.38 -1.51 116.57 122.78 1kkf h LYS 140 Ca 0.37 0.05 -0.04 0.00 -1.27 0.00 0.00 60.65 59.76 1kkf h LYS 140 Cb -0.12 0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 1kkf h LYS 140 CO -0.09 -0.46 0.15 0.28 -2.27 0.00 0.00 179.45 177.06 1kkf h VAL 141 N -0.72 1.20 0.00 2.00 2.07 -0.09 -1.54 116.25 119.18 1kkf h VAL 141 Ca -0.03 -0.69 -0.04 0.00 0.82 0.00 0.00 66.70 66.76 1kkf h VAL 141 Cb 0.64 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 1kkf h VAL 141 CO -0.04 0.26 -0.19 0.00 0.02 0.00 0.00 177.57 177.62 1kkf h ALA 142 N 1.45 1.16 0.00 1.67 0.00 -0.29 -3.47 119.26 119.79 1kkf h ALA 142 Ca 0.17 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1kkf h ALA 142 Cb 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1kkf h ALA 142 CO -0.01 0.23 0.00 0.54 0.00 0.00 0.00 179.25 180.01 1kkf n ARG 143 N -3.55 0.00 0.00 0.00 1.74 -0.58 -4.93 116.66 109.34 1kkf n ARG 143 Ca -0.01 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 1kkf n ARG 143 Cb 0.34 -3.26 0.00 0.00 -1.02 0.00 0.00 32.46 28.51 1kkf n ARG 143 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 1kkf n ARG 144 N -1.15 5.20 -1.57 5.56 1.85 -0.99 -5.06 116.66 120.50 1kkf n ARG 144 Ca 0.00 0.00 -0.32 0.00 -1.00 0.00 0.00 57.85 56.53 1kkf n ARG 144 Cb 0.42 -0.57 0.06 0.00 -1.05 0.00 0.00 32.46 31.33 1kkf n ARG 144 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 177.63 177.82 1kkf s GLY 145 N -1.12 1.87 0.03 2.89 0.00 -0.64 -4.91 107.32 105.44 1kkf s GLY 145 Ca 0.00 0.32 -0.18 0.00 0.00 0.00 0.00 44.72 44.86 1kkf s GLY 145 CO 0.00 0.66 0.52 1.08 0.00 0.00 0.00 173.10 175.36 1kkf s LEU 146 N -5.35 4.48 0.33 0.66 1.43 -1.26 -4.90 118.68 114.07 1kkf s LEU 146 Ca 0.62 1.14 0.09 0.00 -1.03 0.00 0.00 54.13 54.96 1kkf s LEU 146 Cb -0.17 -2.80 -0.05 0.00 0.03 0.00 0.00 46.19 43.19 1kkf s LEU 146 CO 0.49 0.25 -0.02 -0.13 0.23 0.00 0.00 176.35 177.17 1kkf s ARG 147 N -0.87 2.04 0.31 1.70 0.52 -1.26 0.39 118.95 121.77 1kkf s ARG 147 Ca 0.28 -1.74 0.06 0.00 -0.52 0.00 0.00 55.73 53.81 1kkf s ARG 147 Cb -0.18 -1.91 0.74 0.00 0.52 0.00 0.00 34.95 34.11 1kkf s ARG 147 CO 0.17 0.17 1.79 0.28 0.02 0.00 0.00 175.30 177.72 1kkf h VAL 148 N 1.87 0.72 0.00 3.52 2.07 -1.16 0.81 116.25 124.09 1kkf h VAL 148 Ca -0.43 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1kkf h VAL 148 Cb 1.25 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1kkf h VAL 148 CO 0.66 0.14 0.00 1.23 0.02 0.00 0.00 177.57 179.62 1kkf h GLY 149 N 0.77 0.00 2.00 2.17 0.00 -1.25 -2.05 103.07 104.71 1kkf h GLY 149 Ca 0.57 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.76 1kkf h GLY 149 CO -0.36 0.00 -0.63 -0.55 0.00 0.00 0.00 176.54 175.00 1kkf h ASP 150 N 0.00 0.00 0.16 0.19 3.45 -1.11 -3.06 116.42 116.05 1kkf h ASP 150 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1kkf h ASP 150 Cb 0.15 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.92 1kkf h ASP 150 CO 0.00 0.63 0.00 0.18 -1.57 0.00 0.00 179.24 178.48 1kkf n LEU 151 N -3.61 0.00 0.00 1.55 4.77 -0.77 -2.60 117.00 116.33 1kkf n LEU 151 Ca -0.00 0.45 0.11 0.00 -0.03 0.00 0.00 56.01 56.53 1kkf n LEU 151 Cb 0.67 -0.45 0.55 0.00 -2.33 0.00 0.00 43.42 41.86 1kkf n LEU 151 CO 0.42 -0.37 0.84 0.49 -1.33 0.00 0.00 177.39 177.44 1kkf n PHE 152 N -1.45 0.00 -3.47 -1.77 3.72 -1.16 -4.00 117.46 109.33 1kkf n PHE 152 Ca 0.02 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.14 1kkf n PHE 152 Cb 0.06 -0.27 -0.12 0.00 -0.94 0.00 0.00 39.48 38.21 1kkf n PHE 152 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1kkf s ASP 153 N -2.53 2.98 0.57 4.37 -1.08 -1.07 -5.01 116.67 114.89 1kkf s ASP 153 Ca 0.21 -1.89 0.26 0.00 -0.52 0.00 0.00 52.55 50.62 1kkf s ASP 153 Cb 0.14 -0.31 1.62 0.00 -1.46 0.00 0.00 42.92 42.92 1kkf s ASP 153 CO 0.32 -0.34 2.15 0.11 0.52 0.00 0.00 175.17 177.93 1kkf h LYS 154 N 7.40 0.00 0.45 4.34 1.57 -1.81 -0.79 116.57 127.73 1kkf h LYS 154 Ca -0.01 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1kkf h LYS 154 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.30 1kkf h LYS 154 CO 0.30 0.00 -0.22 0.93 -0.57 0.00 0.00 179.45 179.90 1kkf h GLU 155 N 0.00 -0.58 -0.08 3.15 3.07 -1.94 -2.57 114.58 115.62 1kkf h GLU 155 Ca 0.05 0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 58.92 1kkf h GLU 155 Cb 0.28 0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.31 1kkf h GLU 155 CO -0.00 -0.39 -0.09 1.79 -1.40 0.00 0.00 179.01 178.92 1kkf h THR 156 N -1.11 1.11 -0.04 1.13 1.35 -1.90 -2.06 112.91 111.41 1kkf h THR 156 Ca -0.06 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 1kkf h THR 156 Cb 0.46 1.16 -0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1kkf h THR 156 CO 0.10 0.15 0.01 0.15 -0.25 0.00 0.00 175.52 175.69 1kkf h PHE 157 N 0.11 0.02 -0.59 4.73 3.57 -1.19 0.10 116.94 123.70 1kkf h PHE 157 Ca 0.02 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.62 1kkf h PHE 157 Cb 0.24 -0.01 -0.07 0.00 2.79 0.00 0.00 35.95 38.90 1kkf h PHE 157 CO 0.00 0.01 0.19 0.00 -2.23 0.00 0.00 178.31 176.29 1kkf h ALA 158 N 1.02 0.74 0.47 2.41 0.00 -0.95 0.23 119.26 123.18 1kkf h ALA 158 Ca 0.02 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1kkf h ALA 158 Cb 0.01 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1kkf h ALA 158 CO -0.02 -0.23 -0.26 0.93 0.00 0.00 0.00 179.25 179.68 1kkf h GLU 159 N 0.36 -0.65 -0.83 0.00 5.08 -1.10 -1.14 114.58 116.30 1kkf h GLU 159 Ca 0.30 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.82 1kkf h GLU 159 Cb 0.38 0.15 -0.08 0.00 0.50 0.00 0.00 28.75 29.70 1kkf h GLU 159 CO -0.32 -0.43 0.46 0.87 -1.00 0.00 0.00 179.01 178.59 1kkf h LYS 160 N -0.68 0.71 -0.53 2.33 1.57 -0.27 -1.80 116.57 117.90 1kkf h LYS 160 Ca -0.06 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.62 1kkf h LYS 160 Cb 0.54 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1kkf h LYS 160 CO 0.08 0.47 0.10 1.25 -0.57 0.00 0.00 179.45 180.77 1kkf h LEU 161 N 0.73 0.84 -0.61 2.94 5.85 -0.36 -2.14 115.31 122.56 1kkf h LEU 161 Ca 0.42 -0.25 0.04 0.00 0.84 0.00 0.00 57.88 58.93 1kkf h LEU 161 Cb 0.47 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 1kkf h LEU 161 CO -0.29 0.88 0.35 0.50 -0.34 0.00 0.00 178.44 179.54 1kkf h LYS 162 N 0.76 0.66 0.63 1.25 1.63 -0.38 -0.85 116.57 120.27 1kkf h LYS 162 Ca 0.16 -0.04 -0.03 0.00 -0.85 0.00 0.00 60.65 59.90 1kkf h LYS 162 Cb 0.39 -0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 31.87 1kkf h LYS 162 CO 0.01 0.44 -0.35 0.93 -3.45 0.00 0.00 179.45 177.02 1kkf h GLU 163 N 0.68 -0.88 -0.43 1.90 5.08 -1.23 -0.16 114.58 119.53 1kkf h GLU 163 Ca 0.26 0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.70 1kkf h GLU 163 Cb 0.09 0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1kkf h GLU 163 CO -0.13 -0.58 0.24 -0.24 -1.00 0.00 0.00 179.01 177.29 1kkf h VAL 164 N -0.91 1.02 0.00 3.13 3.04 -1.23 0.09 116.25 121.39 1kkf h VAL 164 Ca -0.08 -0.17 -0.08 0.00 -1.01 0.00 0.00 66.70 65.36 1kkf h VAL 164 Cb 0.72 0.49 -0.01 0.00 -2.01 0.00 0.00 31.29 30.48 1kkf h VAL 164 CO 0.11 0.09 -0.40 0.24 -1.01 0.00 0.00 177.57 176.60 1kkf h MET 165 N 0.49 0.00 -0.37 4.17 2.86 -1.14 0.45 114.93 121.39 1kkf h MET 165 Ca 0.18 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.79 1kkf h MET 165 Cb 0.04 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.68 1kkf h MET 165 CO -0.10 0.40 0.11 1.49 1.06 0.00 0.00 176.91 179.87 1kkf h GLU 166 N 0.00 0.58 0.46 1.72 4.81 -0.22 0.20 114.58 122.12 1kkf h GLU 166 Ca -0.00 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.08 1kkf h GLU 166 Cb 0.71 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 1kkf h GLU 166 CO 0.05 0.60 -0.34 -0.92 -0.73 0.00 0.00 179.01 177.67 1kkf h TYR 167 N 0.45 -0.92 -0.75 0.92 3.20 -0.00 -2.67 116.97 117.20 1kkf h TYR 167 Ca 0.12 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.99 1kkf h TYR 167 Cb 0.27 0.34 -0.04 0.00 1.54 0.00 0.00 36.73 38.84 1kkf h TYR 167 CO 0.01 -0.48 0.49 0.45 -1.64 0.00 0.00 178.16 176.99 1kkf h HIS 168 N -0.76 0.95 -0.57 -3.82 3.86 -0.93 -2.93 115.15 110.96 1kkf h HIS 168 Ca -0.06 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.14 1kkf h HIS 168 Cb 0.63 -0.32 -0.03 0.00 1.06 0.00 0.00 27.41 28.75 1kkf h HIS 168 CO -0.10 0.61 0.23 -0.91 0.86 0.00 0.00 177.93 178.62 1kkf h ASN 169 N 1.02 0.74 0.11 2.45 2.35 -0.52 0.23 115.58 121.96 1kkf h ASN 169 Ca 0.27 -0.09 0.02 0.00 -0.55 0.00 0.00 56.30 55.95 1kkf h ASN 169 Cb -0.10 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.05 1kkf h ASN 169 CO -0.06 0.66 -0.21 0.15 -1.65 0.00 0.00 177.43 176.33 1kkf h PHE 170 N 0.81 -0.55 -0.18 1.19 3.57 -1.28 -0.56 116.94 119.95 1kkf h PHE 170 Ca 0.19 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.70 1kkf h PHE 170 Cb 0.15 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1kkf h PHE 170 CO 0.01 -0.30 0.10 0.37 -2.23 0.00 0.00 178.31 176.26 1kkf h GLN 171 N -0.39 0.24 -0.86 1.11 4.15 -1.52 0.25 115.11 118.10 1kkf h GLN 171 Ca 0.03 -0.02 0.07 0.00 0.77 0.00 0.00 58.65 59.49 1kkf h GLN 171 Cb 0.41 -0.05 -0.06 0.00 0.21 0.00 0.00 27.48 27.99 1kkf h GLN 171 CO -0.12 0.22 0.53 -0.07 -1.93 0.00 0.00 178.83 177.45 1kkf h LEU 172 N 0.20 0.81 0.00 -2.39 3.38 -0.70 0.33 115.31 116.94 1kkf h LEU 172 Ca 0.06 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1kkf h LEU 172 Cb 0.04 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1kkf h LEU 172 CO -0.01 0.51 -0.19 0.58 0.09 0.00 0.00 178.44 179.42 1kkf h VAL 173 N 0.94 0.31 -0.25 1.22 2.07 -0.90 0.57 116.25 120.22 1kkf h VAL 173 Ca 0.38 -1.26 -0.16 0.00 0.82 0.00 0.00 66.70 66.49 1kkf h VAL 173 Cb 0.22 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1kkf h VAL 173 CO -0.19 0.10 -0.46 0.78 0.02 0.00 0.00 177.57 177.82 1kkf h ASN 174 N -1.00 0.84 0.00 0.57 2.35 -0.59 -1.84 115.58 115.90 1kkf h ASN 174 Ca -0.02 -0.54 -0.10 0.00 -0.55 0.00 0.00 56.30 55.09 1kkf h ASN 174 Cb 0.33 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.44 1kkf h ASN 174 CO -0.01 1.22 -0.79 0.22 -1.65 0.00 0.00 177.43 176.41 1kkf h TYR 175 N 0.49 0.00 0.00 1.19 5.03 -1.28 -3.40 116.97 119.01 1kkf h TYR 175 Ca 0.01 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.32 1kkf h TYR 175 Cb 1.07 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.35 1kkf h TYR 175 CO 0.08 0.71 -0.10 1.88 -1.32 0.00 0.00 178.16 179.42 1kkf h TYR 176 N -1.00 0.00 -5.63 -3.82 -1.99 -1.06 -3.48 116.97 99.99 1kkf h TYR 176 Ca -0.16 0.00 -0.37 0.00 2.00 0.00 0.00 58.73 60.20 1kkf h TYR 176 Cb 0.86 0.00 0.14 0.00 2.00 0.00 0.00 36.73 39.73 1kkf h TYR 176 CO -0.04 0.00 -0.67 1.63 -0.00 0.00 0.00 178.16 179.08 1kkf n LYS 177 N -2.59 -7.48 -4.21 4.88 4.01 -0.69 -4.96 118.16 107.12 1kkf n LYS 177 Ca 0.05 0.80 -0.25 0.00 -0.51 0.00 0.00 58.31 58.39 1kkf n LYS 177 Cb 0.47 -5.75 -0.08 0.00 -0.51 0.00 0.00 35.03 29.17 1kkf n LYS 177 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1kkf s ALA 178 N -3.31 3.54 0.28 7.82 0.00 0.19 -4.98 121.76 125.31 1kkf s ALA 178 Ca 0.48 -2.11 -0.30 0.00 0.00 0.00 0.00 51.96 50.03 1kkf s ALA 178 Cb -0.21 -0.29 -0.11 0.00 0.00 0.00 0.00 23.12 22.51 1kkf s ALA 178 CO 0.70 -0.16 1.53 -1.21 0.00 0.00 0.00 175.76 176.62 1kkf s GLU 179 N -3.88 4.18 0.34 0.00 0.41 -1.26 -3.92 118.70 114.57 1kkf s GLU 179 Ca 0.40 2.48 -0.26 0.00 -0.41 0.00 0.00 54.97 57.17 1kkf s GLU 179 Cb 0.05 -3.05 -0.10 0.00 -1.78 0.00 0.00 34.13 29.25 1kkf s GLU 179 CO 0.22 -0.55 0.98 0.00 -0.49 0.00 0.00 175.26 175.42 1kkf s ALA 180 N -0.04 3.19 -0.08 5.21 0.00 -1.26 -4.83 121.76 123.95 1kkf s ALA 180 Ca 0.61 0.60 -0.19 0.00 0.00 0.00 0.00 51.96 52.98 1kkf s ALA 180 Cb -0.46 -3.22 -0.05 0.00 0.00 0.00 0.00 23.12 19.40 1kkf s ALA 180 CO 0.47 0.05 0.52 0.54 0.00 0.00 0.00 175.76 177.33 1kkf s VAL 181 N -1.61 5.10 -0.02 0.00 0.11 -1.26 -5.03 120.40 117.70 1kkf s VAL 181 Ca 0.52 1.05 -0.30 0.00 -2.93 0.00 0.00 61.98 60.32 1kkf s VAL 181 Cb -0.20 -3.85 -0.05 0.00 -1.53 0.00 0.00 36.38 30.75 1kkf s VAL 181 CO 0.26 0.36 1.31 -0.62 -3.33 0.00 0.00 175.10 173.08 1kkf s ASP 182 N 0.31 6.94 0.12 3.54 2.15 -1.26 -4.96 116.67 123.51 1kkf s ASP 182 Ca 0.28 1.99 -0.20 0.00 0.43 0.00 0.00 52.55 55.05 1kkf s ASP 182 Cb -0.16 -2.56 -0.06 0.00 -0.30 0.00 0.00 42.92 39.84 1kkf s ASP 182 CO 0.13 -0.65 1.72 0.22 -0.17 0.00 0.00 175.17 176.42 1kkf h TYR 183 N 7.60 -0.04 -0.76 -5.34 3.20 -1.97 -2.83 116.97 116.84 1kkf h TYR 183 Ca -0.37 0.01 0.05 0.00 3.14 0.00 0.00 58.73 61.57 1kkf h TYR 183 Cb 1.17 0.04 -0.05 0.00 1.54 0.00 0.00 36.73 39.43 1kkf h TYR 183 CO 0.74 -0.04 0.46 0.37 -1.64 0.00 0.00 178.16 178.05 1kkf h GLN 184 N 0.03 0.83 -0.45 1.82 5.75 -1.98 0.32 115.11 121.43 1kkf h GLN 184 Ca 0.07 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.51 1kkf h GLN 184 Cb 0.10 -0.19 -0.02 0.00 1.07 0.00 0.00 27.48 28.44 1kkf h GLN 184 CO -0.14 0.55 0.22 -0.22 -2.65 0.00 0.00 178.83 176.59 1kkf h LYS 185 N 0.86 0.64 -0.36 1.69 3.64 -1.95 0.44 116.57 121.53 1kkf h LYS 185 Ca 0.32 -0.09 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 1kkf h LYS 185 Cb 0.12 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.81 1kkf h LYS 185 CO -0.15 0.54 0.21 0.28 -2.27 0.00 0.00 179.45 178.06 1kkf h VAL 186 N 0.58 1.13 -0.56 2.00 2.07 -1.15 0.51 116.25 120.84 1kkf h VAL 186 Ca 0.15 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1kkf h VAL 186 Cb 0.10 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1kkf h VAL 186 CO -0.02 0.13 0.30 0.25 0.02 0.00 0.00 177.57 178.25 1kkf h LEU 187 N 0.47 0.70 0.39 2.57 5.85 -0.63 -0.89 115.31 123.77 1kkf h LEU 187 Ca 0.13 -0.10 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1kkf h LEU 187 Cb 0.03 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.88 1kkf h LEU 187 CO -0.02 0.60 -0.19 0.44 -0.34 0.00 0.00 178.44 178.93 1kkf h ASP 188 N 0.75 -0.44 -0.52 1.25 3.45 0.27 -0.73 116.42 120.45 1kkf h ASP 188 Ca 0.20 -0.08 0.03 0.00 0.43 0.00 0.00 57.03 57.61 1kkf h ASP 188 Cb 0.06 0.11 -0.03 0.00 -0.56 0.00 0.00 39.33 38.91 1kkf h ASP 188 CO -0.03 -0.17 0.35 0.44 -1.57 0.00 0.00 179.24 178.26 1kkf h ASP 189 N -0.70 0.50 -0.04 6.45 3.32 -0.90 -1.86 116.42 123.19 1kkf h ASP 189 Ca -0.05 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.88 1kkf h ASP 189 Cb 0.50 -0.12 0.01 0.00 0.22 0.00 0.00 39.33 39.94 1kkf h ASP 189 CO 0.09 0.35 -0.43 0.74 -1.72 0.00 0.00 179.24 178.27 1kkf h THR 190 N 0.58 1.44 0.00 0.35 2.02 -1.09 -3.22 112.91 113.00 1kkf h THR 190 Ca 0.21 -1.90 0.00 0.00 0.77 0.00 0.00 66.41 65.49 1kkf h THR 190 Cb 0.12 2.49 0.00 0.00 -1.74 0.00 0.00 68.15 69.02 1kkf h THR 190 CO -0.06 0.55 0.00 0.24 0.37 0.00 0.00 175.52 176.62 1kkf h MET 191 N -0.17 0.00 0.00 6.66 2.86 -0.80 -1.84 114.93 121.64 1kkf h MET 191 Ca -0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1kkf h MET 191 Cb 1.12 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.78 1kkf h MET 191 CO 0.09 0.00 0.00 0.00 1.06 0.00 0.00 176.91 178.06 1kkf n ALA 192 N -2.04 2.35 -0.23 6.32 0.00 -0.73 -3.84 120.51 122.33 1kkf n ALA 192 Ca -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1kkf n ALA 192 Cb 0.16 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.16 1kkf n ALA 192 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1kkf n VAL 193 N -1.35 0.00 -0.28 0.00 0.24 -0.73 -4.86 118.33 111.35 1kkf n VAL 193 Ca 0.11 -0.25 0.07 0.00 -2.04 0.00 0.00 64.34 62.23 1kkf n VAL 193 Cb 0.25 1.23 0.22 0.00 -1.47 0.00 0.00 33.84 34.08 1kkf n VAL 193 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1kkf h ALA 194 N 0.00 1.18 -0.54 2.33 0.00 -1.58 -1.80 119.26 118.85 1kkf h ALA 194 Ca 0.00 0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1kkf h ALA 194 Cb 0.12 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1kkf h ALA 194 CO 0.00 -0.22 -0.06 -0.44 0.00 0.00 0.00 179.25 178.53 1kkf h ASP 195 N 0.46 0.97 0.29 0.00 3.32 -1.89 0.23 116.42 119.80 1kkf h ASP 195 Ca 0.46 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 1kkf h ASP 195 Cb 0.73 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.03 1kkf h ASP 195 CO -0.43 1.06 -0.14 0.40 -1.72 0.00 0.00 179.24 178.40 1kkf h ILE 196 N 0.88 0.74 -0.59 0.35 2.04 -1.83 -2.22 117.51 116.87 1kkf h ILE 196 Ca 0.15 -0.49 0.02 0.00 1.00 0.00 0.00 64.86 65.53 1kkf h ILE 196 Cb 0.60 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 1kkf h ILE 196 CO 0.04 0.10 0.38 0.25 0.00 0.00 0.00 178.15 178.92 1kkf h LEU 197 N -0.66 0.64 -1.72 1.44 6.46 -1.26 -1.29 115.31 118.92 1kkf h LEU 197 Ca -0.04 -0.01 -0.01 0.00 -0.12 0.00 0.00 57.88 57.70 1kkf h LEU 197 Cb 0.47 -0.15 -0.00 0.00 -0.73 0.00 0.00 40.66 40.24 1kkf h LEU 197 CO 0.07 0.46 -0.07 0.71 -0.62 0.00 0.00 178.44 178.98 1kkf h THR 198 N 0.76 0.22 0.00 1.05 1.35 -0.56 -2.76 112.91 112.97 1kkf h THR 198 Ca 0.23 -0.56 -0.02 0.00 -0.55 0.00 0.00 66.41 65.51 1kkf h THR 198 Cb -0.04 1.45 -0.00 0.00 -1.73 0.00 0.00 68.15 67.82 1kkf h THR 198 CO -0.07 0.07 -0.11 0.77 -0.25 0.00 0.00 175.52 175.93 1kkf h SER 199 N 0.00 0.00 0.18 5.36 4.64 -0.58 -3.00 113.55 120.15 1kkf h SER 199 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1kkf h SER 199 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 1kkf h SER 199 CO 0.01 0.11 -0.32 0.23 -0.87 0.00 0.00 176.83 175.99 1kkf n MET 200 N -3.22 0.90 -1.82 4.77 2.81 -1.04 -4.96 117.12 114.56 1kkf n MET 200 Ca 0.01 -0.60 -0.41 0.00 -1.81 0.00 0.00 57.70 54.89 1kkf n MET 200 Cb 0.40 -1.49 -0.02 0.00 -0.71 0.00 0.00 33.22 31.41 1kkf n MET 200 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1kkf s VAL 201 N -2.51 2.16 0.07 2.03 1.01 -1.13 -0.23 120.40 121.80 1kkf s VAL 201 Ca 0.23 0.14 -0.08 0.00 0.00 0.00 0.00 61.98 62.26 1kkf s VAL 201 Cb 0.19 -3.09 -0.00 0.00 0.00 0.00 0.00 36.38 33.48 1kkf s VAL 201 CO 0.54 0.02 0.17 0.54 0.00 0.00 0.00 175.10 176.38 1kkf s VAL 202 N -0.06 0.14 -1.06 2.92 0.11 -0.10 -4.81 120.40 117.53 1kkf s VAL 202 Ca 0.62 -1.14 -0.20 0.00 -2.93 0.00 0.00 61.98 58.33 1kkf s VAL 202 Cb -0.47 -1.23 0.09 0.00 -1.53 0.00 0.00 36.38 33.24 1kkf s VAL 202 CO 0.48 -0.63 1.42 -0.62 -3.33 0.00 0.00 175.10 172.41 1kkf s ASP 203 N -2.64 6.65 0.17 3.54 3.68 -1.26 -4.33 116.67 122.47 1kkf s ASP 203 Ca 0.02 -1.93 -0.14 0.00 2.13 0.00 0.00 52.55 52.63 1kkf s ASP 203 Cb 0.03 -2.51 0.10 0.00 -1.45 0.00 0.00 42.92 39.09 1kkf s ASP 203 CO -0.09 -1.26 1.79 0.58 0.13 0.00 0.00 175.17 176.32 1kkf h VAL 204 N 6.13 0.98 -0.50 1.11 2.07 -1.89 0.12 116.25 124.27 1kkf h VAL 204 Ca 0.24 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.55 1kkf h VAL 204 Cb 0.98 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.19 1kkf h VAL 204 CO 1.33 0.09 0.13 0.77 0.02 0.00 0.00 177.57 179.91 1kkf h SER 205 N 0.48 0.75 -0.57 0.57 4.64 -1.87 0.38 113.55 117.93 1kkf h SER 205 Ca 0.20 -0.23 -0.06 0.00 -0.47 0.00 0.00 61.79 61.23 1kkf h SER 205 Cb 0.09 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 61.95 1kkf h SER 205 CO -0.13 0.78 0.14 -0.78 -0.87 0.00 0.00 176.83 175.97 1kkf h ASP 206 N 0.68 0.90 0.01 4.97 3.58 -1.87 0.31 116.42 125.00 1kkf h ASP 206 Ca 0.16 -0.18 -0.00 0.00 0.42 0.00 0.00 57.03 57.43 1kkf h ASP 206 Cb 0.32 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.14 1kkf h ASP 206 CO 0.00 0.88 -0.00 0.25 -2.88 0.00 0.00 179.24 177.48 1kkf h LEU 207 N 0.91 -0.01 -1.32 2.28 6.46 -0.07 -2.12 115.31 121.43 1kkf h LEU 207 Ca 0.19 -0.14 -0.01 0.00 -0.12 0.00 0.00 57.88 57.80 1kkf h LEU 207 Cb 0.34 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.24 1kkf h LEU 207 CO 0.00 0.13 0.32 -0.07 -0.62 0.00 0.00 178.44 178.21 1kkf h LEU 208 N -0.16 0.69 -0.22 2.25 3.38 0.14 -0.50 115.31 120.89 1kkf h LEU 208 Ca -0.00 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1kkf h LEU 208 Cb 0.15 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1kkf h LEU 208 CO 0.00 0.56 0.10 -0.78 0.09 0.00 0.00 178.44 178.41 1kkf h ASP 209 N 0.79 0.29 -0.72 -0.43 -0.00 -0.74 -0.89 116.42 114.72 1kkf h ASP 209 Ca 0.20 -0.13 -0.00 0.00 -0.00 0.00 0.00 57.03 57.10 1kkf h ASP 209 Cb 0.01 -0.07 -0.03 0.00 -0.00 0.00 0.00 39.33 39.23 1kkf h ASP 209 CO -0.03 0.34 0.44 1.56 -0.00 0.00 0.00 179.24 181.54 1kkf h GLN 210 N 0.22 0.97 -0.84 0.28 1.08 -0.69 -0.84 115.11 115.29 1kkf h GLN 210 Ca 0.08 -0.09 0.01 0.00 -1.45 0.00 0.00 58.65 57.20 1kkf h GLN 210 Cb 0.13 -0.20 -0.04 0.00 -0.05 0.00 0.00 27.48 27.31 1kkf h GLN 210 CO -0.01 0.69 0.55 0.00 -0.95 0.00 0.00 178.83 179.11 1kkf h ALA 211 N 1.23 1.06 0.08 3.87 0.00 -0.89 -1.67 119.26 122.94 1kkf h ALA 211 Ca 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1kkf h ALA 211 Cb -0.04 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.40 1kkf h ALA 211 CO -0.05 0.48 -0.08 -0.09 0.00 0.00 0.00 179.25 179.51 1kkf h ARG 212 N 1.14 -0.17 0.00 0.00 1.12 -0.50 0.52 114.38 116.49 1kkf h ARG 212 Ca 0.31 0.01 -0.01 0.00 -1.11 0.00 0.00 59.98 59.17 1kkf h ARG 212 Cb -0.12 0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 29.87 1kkf h ARG 212 CO -0.07 -0.11 -0.06 1.96 -3.11 0.00 0.00 179.97 178.58 1kkf h GLN 213 N -0.18 0.00 0.00 0.20 4.20 -0.90 -2.08 115.11 116.36 1kkf h GLN 213 Ca 0.01 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.50 1kkf h GLN 213 Cb 0.17 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.92 1kkf h GLN 213 CO -0.02 0.06 -1.05 0.00 -0.67 0.00 0.00 178.83 177.14 1kkf h ARG 214 N 0.00 0.00 0.00 1.46 3.08 -0.77 -3.48 114.38 114.67 1kkf h ARG 214 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1kkf h ARG 214 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1kkf h ARG 214 CO 0.01 0.92 0.00 0.41 -1.07 0.00 0.00 179.97 180.24 1kkf n GLY 215 N 1.37 1.56 3.77 0.04 0.00 0.02 -5.07 105.19 106.89 1kkf n GLY 215 Ca -0.02 -0.07 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 1kkf n GLY 215 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1kkf s ASP 216 N -2.07 6.67 -0.10 1.61 -0.00 -0.30 -4.97 116.67 117.50 1kkf s ASP 216 Ca 0.00 2.23 -0.30 0.00 -0.00 0.00 0.00 52.55 54.48 1kkf s ASP 216 Cb 0.00 -2.61 -0.03 0.00 -0.00 0.00 0.00 42.92 40.29 1kkf s ASP 216 CO 0.00 -0.56 1.27 -0.36 -0.00 0.00 0.00 175.17 175.52 1kkf s PHE 217 N -1.47 2.93 0.02 4.23 0.40 -1.26 -4.70 117.98 118.13 1kkf s PHE 217 Ca 0.56 1.02 0.08 0.00 -0.60 0.00 0.00 56.93 58.00 1kkf s PHE 217 Cb -0.28 -3.51 -0.02 0.00 0.51 0.00 0.00 43.02 39.72 1kkf s PHE 217 CO 0.35 -1.74 -0.24 0.08 0.70 0.00 0.00 175.22 174.37 1kkf s VAL 218 N 2.94 1.92 -0.12 -0.44 1.01 0.39 -0.95 120.40 125.16 1kkf s VAL 218 Ca 0.57 -1.22 0.02 0.00 0.00 0.00 0.00 61.98 61.35 1kkf s VAL 218 Cb -0.24 -1.64 0.02 0.00 0.00 0.00 0.00 36.38 34.52 1kkf s VAL 218 CO 0.19 0.37 -0.16 -0.32 0.00 0.00 0.00 175.10 175.19 1kkf s MET 219 N -1.00 2.33 -0.23 2.72 1.75 -0.30 -1.68 119.30 122.89 1kkf s MET 219 Ca 0.10 -0.59 -0.09 0.00 -1.25 0.00 0.00 55.69 53.85 1kkf s MET 219 Cb -0.09 -1.99 -0.04 0.00 2.84 0.00 0.00 34.83 35.54 1kkf s MET 219 CO 0.01 -0.09 0.13 -0.06 -0.65 0.00 0.00 175.02 174.36 1kkf s PHE 220 N 1.06 3.25 -0.29 4.11 0.40 -0.51 0.59 117.98 126.59 1kkf s PHE 220 Ca -0.05 0.07 -0.08 0.00 -0.60 0.00 0.00 56.93 56.27 1kkf s PHE 220 Cb -0.15 -2.23 -0.01 0.00 0.51 0.00 0.00 43.02 41.14 1kkf s PHE 220 CO -0.03 -0.01 0.11 -2.00 0.70 0.00 0.00 175.22 173.99 1kkf s GLU 221 N 1.08 3.41 0.31 0.44 2.12 0.41 -1.15 118.70 125.32 1kkf s GLU 221 Ca 0.06 -0.66 -0.18 0.00 0.36 0.00 0.00 54.97 54.56 1kkf s GLU 221 Cb -0.14 -3.45 -0.09 0.00 0.26 0.00 0.00 34.13 30.71 1kkf s GLU 221 CO 0.04 -0.34 0.77 0.20 -0.54 0.00 0.00 175.26 175.40 1kkf s GLY 222 N 1.60 2.46 0.26 -1.50 0.00 0.84 -4.02 107.32 106.95 1kkf s GLY 222 Ca 0.05 0.16 0.09 0.00 0.00 0.00 0.00 44.72 45.01 1kkf s GLY 222 CO 0.05 0.43 0.06 0.00 0.00 0.00 0.00 173.10 173.64 1kkf s ALA 223 N -1.85 3.30 0.00 3.20 0.00 -1.26 -4.78 121.76 120.37 1kkf s ALA 223 Ca 0.52 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.90 1kkf s ALA 223 Cb -0.13 -0.94 0.00 0.00 0.00 0.00 0.00 23.12 22.05 1kkf s ALA 223 CO 0.18 0.26 0.00 1.04 0.00 0.00 0.00 175.76 177.24 1kkf n GLN 224 N -0.99 0.00 -4.06 0.00 3.00 -1.26 -4.80 117.38 109.28 1kkf n GLN 224 Ca -0.07 0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 56.82 1kkf n GLN 224 Cb 0.59 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 30.75 1kkf n GLN 224 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.06 177.26 1kkf s GLY 225 N -2.15 0.81 0.22 1.08 0.00 -1.26 -3.78 107.32 102.24 1kkf s GLY 225 Ca 0.00 -1.16 -0.16 0.00 0.00 0.00 0.00 44.72 43.41 1kkf s GLY 225 CO 0.00 -0.95 1.58 -0.84 0.00 0.00 0.00 173.10 172.89 1kkf h THR 226 N 2.48 0.14 0.00 0.90 2.02 -0.27 -1.70 112.91 116.48 1kkf h THR 226 Ca -0.31 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1kkf h THR 226 Cb 1.24 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.79 1kkf h THR 226 CO 0.45 0.00 0.00 0.18 0.37 0.00 0.00 175.52 176.52 1kkf n LEU 227 N -5.49 0.00 -0.92 2.58 4.77 -0.24 -1.25 117.00 116.46 1kkf n LEU 227 Ca 0.09 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.17 1kkf n LEU 227 Cb 0.39 0.00 0.16 0.00 -2.33 0.00 0.00 43.42 41.64 1kkf n LEU 227 CO -0.04 0.00 0.63 0.18 -1.33 0.00 0.00 177.39 176.83 1kkf n LEU 228 N -0.90 3.03 -4.70 2.23 4.77 -0.64 -1.20 117.00 119.59 1kkf n LEU 228 Ca 0.13 -1.40 -0.43 0.00 -0.03 0.00 0.00 56.01 54.29 1kkf n LEU 228 Cb 0.06 -0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 40.98 1kkf n LEU 228 CO 0.10 0.64 0.98 -0.67 -1.33 0.00 0.00 177.39 177.10 1kkf n ASP 229 N 1.18 2.97 0.05 -1.43 2.03 -0.38 -0.19 116.55 120.77 1kkf n ASP 229 Ca 0.15 1.19 0.04 0.00 0.52 0.00 0.00 54.79 56.69 1kkf n ASP 229 Cb 0.52 -1.50 0.43 0.00 -0.72 0.00 0.00 41.12 39.85 1kkf n ASP 229 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1kkf h ILE 230 N 2.76 1.12 0.00 5.18 6.09 -1.41 0.42 117.51 131.67 1kkf h ILE 230 Ca -0.46 -0.35 -0.05 0.00 -1.37 0.00 0.00 64.86 62.63 1kkf h ILE 230 Cb 1.27 0.74 -0.01 0.00 0.47 0.00 0.00 36.82 39.29 1kkf h ILE 230 CO 0.67 0.14 -0.84 0.47 -3.07 0.00 0.00 178.15 175.51 1kkf n ASP 231 N -4.42 1.86 -0.03 2.19 8.00 -1.26 -4.65 116.55 118.23 1kkf n ASP 231 Ca 0.02 0.51 0.13 0.00 0.71 0.00 0.00 54.79 56.15 1kkf n ASP 231 Cb 0.12 -0.84 0.40 0.00 -0.02 0.00 0.00 41.12 40.78 1kkf n ASP 231 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1kkf n HIS 232 N -4.53 0.00 -1.71 1.24 8.25 -1.25 -4.91 115.22 112.31 1kkf n HIS 232 Ca -0.14 0.00 -0.20 0.00 -0.26 0.00 0.00 57.72 57.12 1kkf n HIS 232 Cb 0.42 -0.30 0.14 0.00 1.12 0.00 0.00 29.99 31.37 1kkf n HIS 232 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1kkf n GLY 233 N 1.46 -1.25 2.53 -1.41 0.00 0.14 -4.85 105.19 101.82 1kkf n GLY 233 Ca 0.07 -1.72 -0.32 0.00 0.00 0.00 0.00 46.02 44.05 1kkf n GLY 233 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1kkf n THR 234 N -3.23 3.28 -1.62 2.61 -2.24 -0.34 -4.47 114.28 108.27 1kkf n THR 234 Ca 0.12 -2.07 -0.42 0.00 -2.27 0.00 0.00 64.05 59.41 1kkf n THR 234 Cb 0.41 -2.39 0.01 0.00 -2.10 0.00 0.00 70.33 66.25 1kkf n THR 234 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kkf n TYR 235 N 4.35 1.36 1.64 4.78 4.19 -1.26 -1.12 117.16 131.09 1kkf n TYR 235 Ca 0.60 0.57 0.11 0.00 3.31 0.00 0.00 57.90 62.49 1kkf n TYR 235 Cb 0.21 -2.26 0.54 0.00 0.49 0.00 0.00 39.34 38.32 1kkf n TYR 235 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 1kkf n PRO 236 N 0.23 1.37 -1.90 2.98 -0.04 -1.26 0.36 135.00 136.73 1kkf n PRO 236 Ca 0.09 -0.54 -0.42 0.00 -0.04 0.00 0.00 63.50 62.59 1kkf n PRO 236 Cb 0.38 -1.38 -0.00 0.00 -0.04 0.00 0.00 33.50 32.45 1kkf n PRO 236 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1kkf n TYR 237 N -0.27 3.18 -4.16 0.54 4.01 -0.28 -4.81 117.16 115.37 1kkf n TYR 237 Ca 0.17 -2.92 -0.16 0.00 -0.16 0.00 0.00 57.90 54.83 1kkf n TYR 237 Cb 0.21 -2.31 -0.05 0.00 -0.31 0.00 0.00 39.34 36.87 1kkf n TYR 237 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 1kkf n VAL 238 N 4.20 0.00 -3.79 -0.72 0.24 -1.26 -4.40 118.33 112.61 1kkf n VAL 238 Ca 0.51 -1.93 -0.20 0.00 -2.04 0.00 0.00 64.34 60.67 1kkf n VAL 238 Cb 0.36 1.03 -0.02 0.00 -1.47 0.00 0.00 33.84 33.74 1kkf n VAL 238 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1kkf s THR 239 N -3.04 4.62 -2.00 3.34 -1.32 0.73 -5.01 115.64 112.96 1kkf s THR 239 Ca 0.32 -1.06 0.03 0.00 -1.21 0.00 0.00 61.69 59.77 1kkf s THR 239 Cb 0.01 -3.60 0.09 0.00 -1.51 0.00 0.00 72.50 67.49 1kkf s THR 239 CO 0.22 -0.26 1.10 -1.20 -2.21 0.00 0.00 174.62 172.28 1kkf n SER 240 N -1.47 0.28 -4.35 8.08 7.64 -1.26 -3.08 113.62 119.46 1kkf n SER 240 Ca -0.05 -1.95 -0.19 0.00 1.01 0.00 0.00 58.87 57.69 1kkf n SER 240 Cb 0.58 -0.03 -0.10 0.00 -1.01 0.00 0.00 64.21 63.64 1kkf n SER 240 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1kkf s SER 241 N -1.06 2.63 -0.55 6.43 1.04 -1.26 -4.83 113.70 116.10 1kkf s SER 241 Ca 0.06 -1.02 -0.28 0.00 0.48 0.00 0.00 55.95 55.18 1kkf s SER 241 Cb 0.03 -0.15 0.03 0.00 0.10 0.00 0.00 66.02 66.03 1kkf s SER 241 CO 0.04 -0.16 1.21 0.20 0.98 0.00 0.00 173.24 175.52 1kkf s ASN 242 N -3.33 6.45 0.22 7.02 -0.87 -1.26 -2.46 114.94 120.71 1kkf s ASN 242 Ca 0.23 0.22 0.26 0.00 -1.57 0.00 0.00 52.86 52.00 1kkf s ASN 242 Cb -0.01 -2.55 0.84 0.00 -0.02 0.00 0.00 41.25 39.51 1kkf s ASN 242 CO 0.07 -1.46 1.77 0.35 -2.57 0.00 0.00 177.10 175.26 1kkf n THR 243 N 6.74 0.64 -1.41 1.60 -2.24 -1.26 -4.33 114.28 114.02 1kkf n THR 243 Ca 0.10 -0.21 -0.31 0.00 -2.27 0.00 0.00 64.05 61.37 1kkf n THR 243 Cb 0.49 -0.68 0.08 0.00 -2.10 0.00 0.00 70.33 68.12 1kkf n THR 243 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1kkf s THR 244 N -3.14 3.49 0.33 4.28 -4.23 -1.26 -4.66 115.64 110.46 1kkf s THR 244 Ca 0.10 0.48 0.17 0.00 -1.18 0.00 0.00 61.69 61.26 1kkf s THR 244 Cb 0.12 -3.11 0.17 0.00 1.34 0.00 0.00 72.50 71.02 1kkf s THR 244 CO 0.57 -0.63 1.46 0.00 -0.54 0.00 0.00 174.62 175.47 1kkf h ALA 245 N -1.01 1.34 0.00 3.99 0.00 -1.87 0.62 119.26 122.34 1kkf h ALA 245 Ca -0.45 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1kkf h ALA 245 Cb 1.23 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 1kkf h ALA 245 CO 0.55 -0.34 -0.01 0.78 0.00 0.00 0.00 179.25 180.23 1kkf h GLY 246 N 0.00 0.00 2.00 0.00 0.00 -1.91 -2.84 103.07 100.32 1kkf h GLY 246 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1kkf h GLY 246 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1kkf n GLY 247 N 0.37 -1.26 0.13 4.60 0.00 0.21 -2.89 105.19 106.35 1kkf n GLY 247 Ca 0.02 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1kkf n GLY 247 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1kkf h VAL 248 N 0.00 0.92 -0.20 1.61 2.07 -1.69 0.20 116.25 119.16 1kkf h VAL 248 Ca 0.00 -0.44 -0.20 0.00 0.82 0.00 0.00 66.70 66.88 1kkf h VAL 248 Cb 0.39 1.19 0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1kkf h VAL 248 CO 0.00 0.10 -0.64 0.00 0.02 0.00 0.00 177.57 177.05 1kkf h ALA 249 N 0.34 0.35 -0.20 1.67 0.00 -1.75 -1.79 119.26 117.88 1kkf h ALA 249 Ca -0.02 -0.55 -0.13 0.00 0.00 0.00 0.00 54.91 54.21 1kkf h ALA 249 Cb 0.35 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1kkf h ALA 249 CO 0.04 0.63 -0.43 1.79 0.00 0.00 0.00 179.25 181.28 1kkf h THR 250 N 0.54 1.31 -0.03 0.00 1.35 -1.55 -0.86 112.91 113.66 1kkf h THR 250 Ca -0.02 -1.61 0.00 0.00 -0.55 0.00 0.00 66.41 64.23 1kkf h THR 250 Cb 1.26 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 69.30 1kkf h THR 250 CO 0.14 0.50 0.00 0.61 -0.25 0.00 0.00 175.52 176.52 1kkf n GLY 251 N -0.00 -0.11 0.00 5.82 0.00 0.70 -4.25 105.19 107.35 1kkf n GLY 251 Ca -0.02 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1kkf n GLY 251 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1kkf n SER 252 N 0.02 1.96 0.00 1.61 3.41 -0.68 -1.79 113.62 118.15 1kkf n SER 252 Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.80 1kkf n SER 252 Cb 0.31 0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 1kkf n SER 252 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1kkf n GLY 253 N 1.59 0.64 3.76 5.00 0.00 -0.33 -3.38 105.19 112.47 1kkf n GLY 253 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1kkf n GLY 253 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1kkf s LEU 254 N 0.00 4.53 0.26 0.99 2.96 -1.25 -4.80 118.68 121.37 1kkf s LEU 254 Ca 0.00 2.04 -0.30 0.00 -0.22 0.00 0.00 54.13 55.65 1kkf s LEU 254 Cb 0.00 -3.73 -0.10 0.00 0.50 0.00 0.00 46.19 42.86 1kkf s LEU 254 CO 0.00 -0.02 1.48 -0.83 -1.32 0.00 0.00 176.35 175.65 1kkf s GLY 255 N -1.19 2.28 0.41 7.98 0.00 -1.26 -4.35 107.32 111.19 1kkf s GLY 255 Ca 0.45 1.39 0.18 0.00 0.00 0.00 0.00 44.72 46.74 1kkf s GLY 255 CO 0.33 2.34 1.82 -0.56 0.00 0.00 0.00 173.10 177.03 1kkf h PRO 256 N 4.94 0.39 0.00 2.90 0.13 -1.94 0.76 132.00 139.19 1kkf h PRO 256 Ca -0.46 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1kkf h PRO 256 Cb 1.22 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1kkf h PRO 256 CO 0.78 0.26 0.00 0.54 -0.23 0.00 0.00 178.00 179.35 1kkf n ARG 257 N -4.55 0.29 -0.73 0.86 1.74 -1.26 -2.80 116.66 110.22 1kkf n ARG 257 Ca 0.22 0.07 0.08 0.00 -0.77 0.00 0.00 57.85 57.45 1kkf n ARG 257 Cb 0.78 -1.50 0.36 0.00 -1.02 0.00 0.00 32.46 31.09 1kkf n ARG 257 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1kkf n TYR 258 N -1.11 1.69 -3.16 -1.55 4.01 0.26 -4.85 117.16 112.44 1kkf n TYR 258 Ca 0.08 -0.71 -0.41 0.00 -0.16 0.00 0.00 57.90 56.70 1kkf n TYR 258 Cb 0.06 -0.39 -0.07 0.00 -0.31 0.00 0.00 39.34 38.63 1kkf n TYR 258 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1kkf s VAL 259 N -2.45 5.00 -0.06 -0.72 1.01 -1.12 -4.60 120.40 117.46 1kkf s VAL 259 Ca 0.51 0.89 0.21 0.00 0.00 0.00 0.00 61.98 63.59 1kkf s VAL 259 Cb 0.37 -3.93 -0.32 0.00 0.00 0.00 0.00 36.38 32.51 1kkf s VAL 259 CO 0.18 -0.03 0.41 0.47 0.00 0.00 0.00 175.10 176.12 1kkf n ASP 260 N 5.72 0.08 -3.64 3.32 8.00 -0.64 -4.97 116.55 124.42 1kkf n ASP 260 Ca -0.02 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.39 1kkf n ASP 260 Cb 0.49 1.82 -0.07 0.00 -0.02 0.00 0.00 41.12 43.34 1kkf n ASP 260 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 1kkf s TYR 261 N -3.33 -0.91 -0.25 1.24 6.14 -0.97 -4.65 117.35 114.63 1kkf s TYR 261 Ca -0.08 1.94 0.02 0.00 0.64 0.00 0.00 57.07 59.58 1kkf s TYR 261 Cb 0.12 0.48 0.05 0.00 0.42 0.00 0.00 41.96 43.03 1kkf s TYR 261 CO 0.88 -0.44 -0.11 0.08 0.64 0.00 0.00 175.55 176.60 1kkf s VAL 262 N 1.13 2.28 -0.26 3.14 1.01 -1.26 -0.28 120.40 126.16 1kkf s VAL 262 Ca -0.06 -1.43 -0.12 0.00 0.00 0.00 0.00 61.98 60.37 1kkf s VAL 262 Cb -0.05 -2.26 -0.05 0.00 0.00 0.00 0.00 36.38 34.03 1kkf s VAL 262 CO -0.12 0.09 0.23 -0.22 0.00 0.00 0.00 175.10 175.08 1kkf s LEU 263 N 1.17 4.06 -0.24 3.92 2.96 0.21 -0.79 118.68 129.97 1kkf s LEU 263 Ca -0.05 0.13 -0.14 0.00 -0.22 0.00 0.00 54.13 53.85 1kkf s LEU 263 Cb -0.18 -2.21 -0.04 0.00 0.50 0.00 0.00 46.19 44.26 1kkf s LEU 263 CO -0.06 -0.04 0.30 -0.83 -1.32 0.00 0.00 176.35 174.40 1kkf s GLY 264 N 1.46 1.99 -0.11 7.98 0.00 -0.39 -2.06 107.32 116.19 1kkf s GLY 264 Ca 0.10 -0.76 -0.27 0.00 0.00 0.00 0.00 44.72 43.79 1kkf s GLY 264 CO 0.09 0.72 0.87 -0.42 0.00 0.00 0.00 173.10 174.36 1kkf s ILE 265 N 1.47 4.88 -0.22 0.90 -1.09 0.43 -0.96 121.20 126.61 1kkf s ILE 265 Ca 0.13 1.76 0.00 0.00 -2.23 0.00 0.00 60.65 60.32 1kkf s ILE 265 Cb -0.15 -4.19 0.06 0.00 -1.58 0.00 0.00 42.46 36.60 1kkf s ILE 265 CO 0.08 0.08 -0.05 -0.22 -1.23 0.00 0.00 174.94 173.59 1kkf s LEU 266 N 1.74 2.31 0.26 2.97 2.96 0.13 -2.08 118.68 126.97 1kkf s LEU 266 Ca 0.43 -1.06 -0.30 0.00 -0.22 0.00 0.00 54.13 52.98 1kkf s LEU 266 Cb -0.18 -1.10 -0.09 0.00 0.50 0.00 0.00 46.19 45.32 1kkf s LEU 266 CO 0.17 -0.23 1.04 -0.75 -1.32 0.00 0.00 176.35 175.26 1kkf s LYS 267 N 1.46 4.72 0.35 1.98 2.20 -1.26 -0.27 119.74 128.92 1kkf s LYS 267 Ca -0.04 1.69 0.15 0.00 -0.36 0.00 0.00 55.97 57.40 1kkf s LYS 267 Cb -0.18 -3.23 0.83 0.00 -1.51 0.00 0.00 37.83 33.74 1kkf s LYS 267 CO -0.07 0.32 1.38 0.00 -0.36 0.00 0.00 175.35 176.62 1kkf h ALA 268 N 3.99 1.19 -3.80 3.13 0.00 -0.57 -3.42 119.26 119.77 1kkf h ALA 268 Ca -0.46 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.23 1kkf h ALA 268 Cb 1.21 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 1kkf h ALA 268 CO 0.67 -0.19 -0.19 2.48 0.00 0.00 0.00 179.25 182.03 1kkf n TYR 269 N -2.13 -0.64 -4.29 0.00 0.18 -1.26 -4.36 117.16 104.67 1kkf n TYR 269 Ca -0.01 -1.45 -0.26 0.00 1.88 0.00 0.00 57.90 58.06 1kkf n TYR 269 Cb 0.29 0.21 -0.09 0.00 -0.38 0.00 0.00 39.34 39.38 1kkf n TYR 269 CO 0.00 0.00 0.00 -1.12 -2.08 0.00 0.00 176.86 173.66 1kkf s SER 270 N -2.25 4.34 0.08 9.48 0.01 0.56 -4.67 113.70 121.26 1kkf s SER 270 Ca 0.20 -0.59 -0.09 0.00 1.31 0.00 0.00 55.95 56.78 1kkf s SER 270 Cb 0.00 -0.76 0.00 0.00 0.21 0.00 0.00 66.02 65.47 1kkf s SER 270 CO 0.14 0.08 0.20 0.42 0.41 0.00 0.00 173.24 174.49 1kkf s THR 271 N -1.86 0.13 -0.10 1.44 -4.23 -1.25 -1.51 115.64 108.27 1kkf s THR 271 Ca 0.27 -1.10 -0.14 0.00 -1.18 0.00 0.00 61.69 59.54 1kkf s THR 271 Cb -0.08 -1.25 0.03 0.00 1.34 0.00 0.00 72.50 72.54 1kkf s THR 271 CO 0.16 -0.61 0.36 -0.13 -0.54 0.00 0.00 174.62 173.87 1kkf s ARG 272 N -3.59 0.53 -0.06 3.99 0.52 -0.57 -4.48 118.95 115.28 1kkf s ARG 272 Ca 0.03 0.28 0.03 0.00 -0.52 0.00 0.00 55.73 55.54 1kkf s ARG 272 Cb 0.04 0.25 0.01 0.00 0.52 0.00 0.00 34.95 35.76 1kkf s ARG 272 CO -0.10 -0.10 -0.14 0.14 0.02 0.00 0.00 175.30 175.12 1kkf s VAL 273 N -0.35 1.24 0.00 3.52 -7.23 -1.26 -0.14 120.40 116.18 1kkf s VAL 273 Ca -0.05 -0.55 0.00 0.00 -1.81 0.00 0.00 61.98 59.57 1kkf s VAL 273 Cb -0.03 -1.11 0.00 0.00 0.56 0.00 0.00 36.38 35.79 1kkf s VAL 273 CO 0.02 0.38 0.00 0.61 -0.31 0.00 0.00 175.10 175.80 1kkf n GLY 274 N 3.70 1.57 3.87 2.32 0.00 -1.26 -5.00 105.19 110.38 1kkf n GLY 274 Ca -0.22 -2.01 -0.30 0.00 0.00 0.00 0.00 46.02 43.49 1kkf n GLY 274 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kkf s ALA 275 N -2.09 2.73 0.00 4.61 0.00 -0.63 -4.99 121.76 121.39 1kkf s ALA 275 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.56 1kkf s ALA 275 Cb 0.00 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 20.10 1kkf s ALA 275 CO 0.00 -1.36 0.00 0.41 0.00 0.00 0.00 175.76 174.81 1kkf n GLY 276 N -2.93 4.53 3.63 0.00 0.00 -1.26 -4.84 105.19 104.33 1kkf n GLY 276 Ca 0.07 -1.38 -0.37 0.00 0.00 0.00 0.00 46.02 44.35 1kkf n GLY 276 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1kkf n PRO 277 N -1.98 0.79 -2.77 1.61 -0.04 -1.26 -4.99 135.00 126.35 1kkf n PRO 277 Ca 0.00 0.32 -0.03 0.00 -0.04 0.00 0.00 63.50 63.75 1kkf n PRO 277 Cb 0.00 -2.24 0.02 0.00 -0.04 0.00 0.00 33.50 31.24 1kkf n PRO 277 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1kkf s PHE 278 N -1.59 -0.98 0.17 0.54 5.36 -1.26 -5.08 117.98 115.13 1kkf s PHE 278 Ca 0.77 -0.23 -0.26 0.00 -0.96 0.00 0.00 56.93 56.24 1kkf s PHE 278 Cb -0.38 0.19 0.03 0.00 -0.34 0.00 0.00 43.02 42.51 1kkf s PHE 278 CO 0.47 -0.75 1.56 -1.35 -1.46 0.00 0.00 175.22 173.68 1kkf h PRO 279 N 4.94 -0.19 -0.90 10.12 0.11 -1.94 -1.90 132.00 142.24 1kkf h PRO 279 Ca 0.02 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.15 1kkf h PRO 279 Cb 1.15 0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1kkf h PRO 279 CO -0.04 -0.13 0.00 0.25 -0.21 0.00 0.00 178.00 177.87 1kkf n THR 280 N -5.39 0.25 -1.79 -1.15 -2.24 -1.26 -4.61 114.28 98.08 1kkf n THR 280 Ca 0.02 -0.13 -0.41 0.00 -2.27 0.00 0.00 64.05 61.26 1kkf n THR 280 Cb 0.34 -0.44 -0.01 0.00 -2.10 0.00 0.00 70.33 68.12 1kkf n THR 280 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1kkf s GLU 281 N -1.22 4.12 -0.18 -0.78 2.12 -0.72 -2.28 118.70 119.77 1kkf s GLU 281 Ca 0.05 2.57 -0.03 0.00 0.36 0.00 0.00 54.97 57.92 1kkf s GLU 281 Cb 0.04 -2.99 -0.02 0.00 0.26 0.00 0.00 34.13 31.42 1kkf s GLU 281 CO 0.02 -0.58 -0.06 -0.51 -0.54 0.00 0.00 175.26 173.59 1kkf s LEU 282 N -1.38 2.96 -0.04 2.70 1.43 0.55 -4.92 118.68 119.98 1kkf s LEU 282 Ca 0.57 -0.30 0.10 0.00 -1.03 0.00 0.00 54.13 53.48 1kkf s LEU 282 Cb -0.47 -1.72 0.29 0.00 0.03 0.00 0.00 46.19 44.31 1kkf s LEU 282 CO 0.56 0.08 1.23 0.49 0.23 0.00 0.00 176.35 178.94 1kkf n PHE 283 N 4.13 0.44 -2.76 0.29 3.72 -1.26 -4.43 117.46 117.59 1kkf n PHE 283 Ca -0.18 -0.59 0.00 0.00 -0.05 0.00 0.00 57.45 56.63 1kkf n PHE 283 Cb 0.52 -0.09 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 1kkf n PHE 283 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 1kkf n ASP 284 N 0.06 0.00 -0.10 4.37 3.85 -1.26 -4.91 116.55 118.55 1kkf n ASP 284 Ca 0.11 -0.82 0.07 0.00 -0.71 0.00 0.00 54.79 53.44 1kkf n ASP 284 Cb 0.48 0.00 0.41 0.00 -1.35 0.00 0.00 41.12 40.66 1kkf n ASP 284 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 1kkf h GLU 285 N 0.00 0.59 -0.34 0.11 4.81 -1.99 -0.36 114.58 117.39 1kkf h GLU 285 Ca 0.00 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.12 1kkf h GLU 285 Cb 0.00 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 1kkf h GLU 285 CO 0.00 0.39 -0.08 1.15 -0.73 0.00 0.00 179.01 179.74 1kkf h THR 286 N 0.61 1.23 -0.28 0.32 2.02 -1.95 0.41 112.91 115.26 1kkf h THR 286 Ca 0.25 -0.99 -0.04 0.00 0.77 0.00 0.00 66.41 66.40 1kkf h THR 286 Cb 0.23 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.69 1kkf h THR 286 CO -0.07 0.33 0.02 1.23 0.37 0.00 0.00 175.52 177.40 1kkf h GLY 287 N 0.93 0.52 0.85 2.16 0.00 -1.29 -0.63 103.07 105.60 1kkf h GLY 287 Ca 0.10 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 1kkf h GLY 287 CO 0.03 0.34 -0.24 0.83 0.00 0.00 0.00 176.54 177.49 1kkf h GLU 288 N 0.29 -0.56 -0.53 4.80 4.39 -0.88 -1.25 114.58 120.84 1kkf h GLU 288 Ca 0.08 0.04 0.11 0.00 0.34 0.00 0.00 59.36 59.93 1kkf h GLU 288 Cb 0.38 0.13 -0.10 0.00 -0.10 0.00 0.00 28.75 29.05 1kkf h GLU 288 CO 0.01 -0.37 -0.19 0.35 -1.16 0.00 0.00 179.01 177.65 1kkf h PHE 289 N -0.58 -0.45 -0.99 4.33 3.57 -0.07 -0.15 116.94 122.60 1kkf h PHE 289 Ca -0.03 0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.56 1kkf h PHE 289 Cb 0.49 0.28 -0.06 0.00 2.79 0.00 0.00 35.95 39.45 1kkf h PHE 289 CO -0.11 -0.28 0.65 -0.07 -2.23 0.00 0.00 178.31 176.26 1kkf h LEU 290 N -0.06 1.08 0.31 0.59 3.38 -0.75 0.96 115.31 120.81 1kkf h LEU 290 Ca 0.25 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.20 1kkf h LEU 290 Cb 0.45 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1kkf h LEU 290 CO -0.58 0.73 -0.15 0.00 0.09 0.00 0.00 178.44 178.54 1kkf h LYS 292 N -0.66 -0.08 -0.40 0.00 3.64 -0.86 0.10 116.57 118.31 1kkf h LYS 292 Ca -0.04 0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.29 1kkf h LYS 292 Cb 0.47 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1kkf h LYS 292 CO 0.07 -0.05 0.01 1.96 -2.27 0.00 0.00 179.45 179.17 1kkf h GLN 293 N -0.08 0.63 -0.46 1.90 1.08 -0.87 -2.67 115.11 114.64 1kkf h GLN 293 Ca 0.00 -0.15 0.00 0.00 -1.45 0.00 0.00 58.65 57.06 1kkf h GLN 293 Cb 0.08 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 1kkf h GLN 293 CO -0.01 0.65 0.00 0.41 -0.95 0.00 0.00 178.83 178.93 1kkf n GLY 294 N -0.80 1.51 4.04 3.46 0.00 -0.33 -4.88 105.19 108.18 1kkf n GLY 294 Ca 0.02 -0.64 -0.38 0.00 0.00 0.00 0.00 46.02 45.03 1kkf n GLY 294 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1kkf n ASN 295 N 1.17 -2.73 -4.53 1.61 5.15 0.22 -4.80 115.26 111.35 1kkf n ASN 295 Ca 0.19 -1.20 -0.43 0.00 -0.60 0.00 0.00 54.58 52.53 1kkf n ASN 295 Cb 0.51 -2.16 -0.01 0.00 -0.53 0.00 0.00 39.78 37.59 1kkf n ASN 295 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1kkf s GLU 296 N -7.04 3.93 -0.02 1.20 0.41 -0.35 -4.90 118.70 111.93 1kkf s GLU 296 Ca 0.32 -2.06 0.01 0.00 -0.41 0.00 0.00 54.97 52.83 1kkf s GLU 296 Cb -0.16 -5.30 0.01 0.00 -1.78 0.00 0.00 34.13 26.91 1kkf s GLU 296 CO 0.95 -2.04 -0.04 -0.06 -0.49 0.00 0.00 175.26 173.58 1kkf s PHE 297 N 3.30 0.51 0.06 1.61 0.08 -1.26 -0.78 117.98 121.50 1kkf s PHE 297 Ca 0.47 -0.10 -0.33 0.00 0.12 0.00 0.00 56.93 57.10 1kkf s PHE 297 Cb 0.00 -0.43 -0.12 0.00 -0.57 0.00 0.00 43.02 41.91 1kkf s PHE 297 CO 0.01 -0.09 1.80 0.41 -0.10 0.00 0.00 175.22 177.25 1kkf n GLY 298 N 3.57 1.49 0.00 4.36 0.00 0.14 -4.82 105.19 109.94 1kkf n GLY 298 Ca -0.20 0.75 0.03 0.00 0.00 0.00 0.00 46.02 46.60 1kkf n GLY 298 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1kkf n ALA 299 N 5.54 1.38 -0.06 4.61 0.00 -1.26 0.11 120.51 130.83 1kkf n ALA 299 Ca 0.19 -0.02 -0.08 0.00 0.00 0.00 0.00 53.44 53.53 1kkf n ALA 299 Cb 0.33 -1.08 -0.06 0.00 0.00 0.00 0.00 19.45 18.64 1kkf n ALA 299 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1kkf n THR 300 N -1.35 0.67 0.27 0.00 -1.04 -1.26 -4.78 114.28 106.80 1kkf n THR 300 Ca 0.02 -0.28 0.03 0.00 -2.04 0.00 0.00 64.05 61.78 1kkf n THR 300 Cb 0.05 -0.89 -0.04 0.00 -1.82 0.00 0.00 70.33 67.62 1kkf n THR 300 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1kkf n THR 301 N -2.77 0.00 -0.57 12.58 -2.24 -1.06 -4.98 114.28 115.24 1kkf n THR 301 Ca -0.20 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 1kkf n THR 301 Cb 0.74 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.85 1kkf n THR 301 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kkf n GLY 302 N 1.33 1.48 3.75 3.38 0.00 0.30 -4.94 105.19 110.50 1kkf n GLY 302 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 1kkf n GLY 302 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kkf s ARG 303 N -0.10 4.17 0.21 1.61 0.52 -1.26 -4.36 118.95 119.74 1kkf s ARG 303 Ca 0.00 2.49 -0.31 0.00 -0.52 0.00 0.00 55.73 57.40 1kkf s ARG 303 Cb 0.00 -3.05 -0.10 0.00 0.52 0.00 0.00 34.95 32.32 1kkf s ARG 303 CO 0.00 -0.56 1.55 0.50 0.02 0.00 0.00 175.30 176.81 1kkf s ARG 304 N -0.53 4.21 -0.04 3.54 3.52 -1.26 -0.68 118.95 127.70 1kkf s ARG 304 Ca 0.62 2.40 -0.17 0.00 -0.13 0.00 0.00 55.73 58.45 1kkf s ARG 304 Cb -0.46 -3.11 -0.05 0.00 -1.56 0.00 0.00 34.95 29.77 1kkf s ARG 304 CO 0.47 -0.57 0.45 1.03 -0.81 0.00 0.00 175.30 175.87 1kkf s ARG 305 N 0.46 4.14 0.23 5.12 0.52 0.04 -4.89 118.95 124.57 1kkf s ARG 305 Ca 0.66 0.45 -0.30 0.00 -0.52 0.00 0.00 55.73 56.03 1kkf s ARG 305 Cb -0.44 -3.32 -0.09 0.00 0.52 0.00 0.00 34.95 31.61 1kkf s ARG 305 CO 0.37 0.46 1.38 1.03 0.02 0.00 0.00 175.30 178.56 1kkf s ARG 306 N -0.35 4.32 0.31 3.54 0.52 0.81 -4.83 118.95 123.27 1kkf s ARG 306 Ca 0.25 2.19 0.10 0.00 -0.52 0.00 0.00 55.73 57.75 1kkf s ARG 306 Cb -0.16 -3.15 -0.05 0.00 0.52 0.00 0.00 34.95 32.11 1kkf s ARG 306 CO 0.12 -0.34 -0.07 0.95 0.02 0.00 0.00 175.30 175.98 1kkf s THR 307 N 0.04 2.68 0.03 0.02 -4.23 -1.26 -1.51 115.64 111.40 1kkf s THR 307 Ca 0.58 -2.13 -0.17 0.00 -1.18 0.00 0.00 61.69 58.79 1kkf s THR 307 Cb -0.39 -2.63 0.06 0.00 1.34 0.00 0.00 72.50 70.88 1kkf s THR 307 CO 0.41 -0.30 0.78 0.61 -0.54 0.00 0.00 174.62 175.58 1kkf n GLY 308 N -0.81 0.52 3.84 3.99 0.00 -0.57 -0.33 105.19 111.82 1kkf n GLY 308 Ca -0.05 -1.00 -0.31 0.00 0.00 0.00 0.00 46.02 44.65 1kkf n GLY 308 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1kkf s TRP 309 N -2.74 3.38 0.24 1.61 0.52 -0.96 -0.32 118.94 120.67 1kkf s TRP 309 Ca 0.18 1.39 -0.30 0.00 0.02 0.00 0.00 56.10 57.39 1kkf s TRP 309 Cb -0.01 -2.81 -0.10 0.00 -1.15 0.00 0.00 33.47 29.40 1kkf s TRP 309 CO 0.01 -0.82 1.42 -1.17 0.02 0.00 0.00 176.95 176.41 1kkf s LEU 310 N -4.96 4.39 -0.38 2.99 2.96 -1.26 -3.78 118.68 118.65 1kkf s LEU 310 Ca 0.58 2.63 -0.03 0.00 -0.22 0.00 0.00 54.13 57.08 1kkf s LEU 310 Cb -0.12 -3.62 0.09 0.00 0.50 0.00 0.00 46.19 43.03 1kkf s LEU 310 CO 0.47 -0.67 0.15 -0.62 -1.32 0.00 0.00 176.35 174.36 1kkf s ASP 311 N 0.35 5.19 0.52 3.68 -1.08 -1.26 -1.83 116.67 122.24 1kkf s ASP 311 Ca 0.59 -1.73 0.30 0.00 -0.52 0.00 0.00 52.55 51.18 1kkf s ASP 311 Cb -0.41 -1.81 1.40 0.00 -1.46 0.00 0.00 42.92 40.64 1kkf s ASP 311 CO 0.43 -0.45 2.02 0.74 0.52 0.00 0.00 175.17 178.42 1kkf h THR 312 N 6.36 0.39 0.17 1.71 2.02 -1.75 0.89 112.91 122.69 1kkf h THR 312 Ca -0.16 -0.63 -0.01 0.00 0.77 0.00 0.00 66.41 66.38 1kkf h THR 312 Cb 1.06 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 68.92 1kkf h THR 312 CO 0.65 0.11 -0.08 0.58 0.37 0.00 0.00 175.52 177.15 1kkf h VAL 313 N 0.00 0.94 0.09 3.16 2.07 -1.85 0.16 116.25 120.82 1kkf h VAL 313 Ca -0.00 -0.94 0.00 0.00 0.82 0.00 0.00 66.70 66.59 1kkf h VAL 313 Cb 0.44 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1kkf h VAL 313 CO 0.01 0.20 -0.10 0.00 0.02 0.00 0.00 177.57 177.71 1kkf h ALA 314 N -0.05 -0.18 -0.38 1.67 0.00 -1.88 -2.14 119.26 116.30 1kkf h ALA 314 Ca -0.02 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.94 1kkf h ALA 314 Cb 0.51 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 1kkf h ALA 314 CO 0.04 -0.62 0.26 0.28 0.00 0.00 0.00 179.25 179.21 1kkf h VAL 315 N -0.22 0.89 -0.01 0.00 2.07 -0.86 0.25 116.25 118.38 1kkf h VAL 315 Ca 0.01 -0.05 -0.11 0.00 0.82 0.00 0.00 66.70 67.37 1kkf h VAL 315 Cb 0.21 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1kkf h VAL 315 CO -0.03 0.03 -0.50 0.03 0.02 0.00 0.00 177.57 177.12 1kkf h ARG 316 N 0.16 0.03 -0.52 1.57 3.08 -0.30 -0.44 114.38 117.95 1kkf h ARG 316 Ca 0.18 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 60.10 1kkf h ARG 316 Cb 0.50 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 1kkf h ARG 316 CO -0.02 0.52 -0.13 -0.09 -1.07 0.00 0.00 179.97 179.18 1kkf h ARG 317 N 0.02 1.00 -0.15 0.04 9.65 -0.62 -2.47 114.38 121.85 1kkf h ARG 317 Ca -0.00 -0.38 0.02 0.00 -1.10 0.00 0.00 59.98 58.51 1kkf h ARG 317 Cb 0.89 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.40 1kkf h ARG 317 CO 0.07 1.06 0.02 0.00 2.80 0.00 0.00 179.97 183.92 1kkf h ALA 318 N 0.90 0.14 -0.37 2.80 0.00 -0.91 0.85 119.26 122.68 1kkf h ALA 318 Ca 0.13 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.15 1kkf h ALA 318 Cb 0.70 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.44 1kkf h ALA 318 CO 0.05 -0.43 -0.27 0.28 0.00 0.00 0.00 179.25 178.89 1kkf h VAL 319 N 0.08 0.31 0.73 0.00 2.07 -0.96 -1.89 116.25 116.59 1kkf h VAL 319 Ca 0.07 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.55 1kkf h VAL 319 Cb 0.06 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1kkf h VAL 319 CO -0.09 0.00 -0.48 -0.61 0.02 0.00 0.00 177.57 176.40 1kkf h GLN 320 N -0.22 -1.11 -0.50 1.57 4.15 -1.04 -0.48 115.11 117.48 1kkf h GLN 320 Ca 0.17 0.08 0.03 0.00 0.77 0.00 0.00 58.65 59.70 1kkf h GLN 320 Cb 0.50 0.25 -0.03 0.00 0.21 0.00 0.00 27.48 28.41 1kkf h GLN 320 CO -0.49 -0.74 0.33 -0.07 -1.93 0.00 0.00 178.83 175.93 1kkf h LEU 321 N -1.15 0.49 -0.24 -2.39 4.07 -0.75 -3.17 115.31 112.17 1kkf h LEU 321 Ca -0.10 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.86 1kkf h LEU 321 Cb 0.93 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 42.56 1kkf h LEU 321 CO 0.08 0.34 -0.84 0.59 -1.08 0.00 0.00 178.44 177.53 1kkf n ASN 322 N -4.47 1.21 -3.56 -0.43 3.02 -0.72 -4.56 115.26 105.75 1kkf n ASN 322 Ca 0.06 -1.11 -0.21 0.00 -0.03 0.00 0.00 54.58 53.29 1kkf n ASN 322 Cb 0.14 0.87 0.05 0.00 -0.61 0.00 0.00 39.78 40.24 1kkf n ASN 322 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1kkf n SER 323 N -1.12 -2.86 -4.63 6.41 3.41 -0.22 -4.79 113.62 109.81 1kkf n SER 323 Ca 0.05 -0.78 -0.41 0.00 -0.26 0.00 0.00 58.87 57.47 1kkf n SER 323 Cb 0.35 -4.41 0.02 0.00 -0.26 0.00 0.00 64.21 59.91 1kkf n SER 323 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1kkf n LEU 324 N -4.04 3.16 -0.06 1.04 4.77 -0.99 -4.57 117.00 116.31 1kkf n LEU 324 Ca -0.23 1.01 -0.07 0.00 -0.03 0.00 0.00 56.01 56.69 1kkf n LEU 324 Cb 0.66 -1.40 -0.09 0.00 -2.33 0.00 0.00 43.42 40.26 1kkf n LEU 324 CO 0.65 -1.33 -0.92 -1.20 -1.33 0.00 0.00 177.39 173.26 1kkf n SER 325 N 0.21 2.32 -3.66 -1.43 7.64 0.03 -4.92 113.62 113.81 1kkf n SER 325 Ca 0.09 -0.03 -0.05 0.00 1.01 0.00 0.00 58.87 59.89 1kkf n SER 325 Cb 0.41 0.47 -0.02 0.00 -1.01 0.00 0.00 64.21 64.06 1kkf n SER 325 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1kkf s GLY 326 N -4.77 -0.32 0.31 0.23 0.00 -1.20 -4.54 107.32 97.03 1kkf s GLY 326 Ca -0.10 0.44 0.09 0.00 0.00 0.00 0.00 44.72 45.15 1kkf s GLY 326 CO 0.44 0.12 0.03 -1.36 0.00 0.00 0.00 173.10 172.33 1kkf s PHE 327 N -3.24 2.63 -0.19 1.90 0.40 0.20 -1.26 117.98 118.42 1kkf s PHE 327 Ca 0.09 -0.34 0.00 0.00 -0.60 0.00 0.00 56.93 56.08 1kkf s PHE 327 Cb -0.01 -1.40 0.04 0.00 0.51 0.00 0.00 43.02 42.16 1kkf s PHE 327 CO -0.02 0.50 -0.08 0.00 0.70 0.00 0.00 175.22 176.32 1kkf s LEU 329 N 1.47 4.17 0.23 0.00 2.96 0.90 0.21 118.68 128.62 1kkf s LEU 329 Ca -0.01 1.11 0.10 0.00 -0.22 0.00 0.00 54.13 55.11 1kkf s LEU 329 Cb -0.16 -3.17 -0.04 0.00 0.50 0.00 0.00 46.19 43.31 1kkf s LEU 329 CO -0.08 -0.38 -0.14 0.42 -1.32 0.00 0.00 176.35 174.85 1kkf s THR 330 N 2.12 2.83 -1.62 3.68 -4.23 0.63 -0.41 115.64 118.64 1kkf s THR 330 Ca 0.36 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.87 1kkf s THR 330 Cb -0.16 -2.43 0.00 0.00 1.34 0.00 0.00 72.50 71.24 1kkf s THR 330 CO 0.12 -0.24 0.00 0.29 -0.54 0.00 0.00 174.62 174.25 1kkf n LYS 331 N -0.24 -1.73 -0.25 3.99 5.02 -1.21 0.15 118.16 123.89 1kkf n LYS 331 Ca -0.09 0.91 0.09 0.00 -2.02 0.00 0.00 58.31 57.20 1kkf n LYS 331 Cb 0.57 -5.45 0.34 0.00 -0.02 0.00 0.00 35.03 30.47 1kkf n LYS 331 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1kkf h LEU 332 N 0.00 0.71 -2.50 -0.35 5.85 -1.84 0.63 115.31 117.80 1kkf h LEU 332 Ca -0.40 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.34 1kkf h LEU 332 Cb 1.26 -0.12 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1kkf h LEU 332 CO 0.50 0.41 0.00 -2.24 -0.34 0.00 0.00 178.44 176.78 1kkf h ASP 333 N 0.78 0.00 0.71 1.25 2.03 -1.87 -0.14 116.42 119.18 1kkf h ASP 333 Ca 0.40 0.00 -0.00 0.00 -0.73 0.00 0.00 57.03 56.70 1kkf h ASP 333 Cb 0.48 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.98 1kkf h ASP 333 CO -0.17 0.00 -0.01 0.58 -1.03 0.00 0.00 179.24 178.61 1kkf h VAL 334 N 0.00 0.05 -0.00 4.15 2.07 -1.20 -2.20 116.25 119.12 1kkf h VAL 334 Ca 0.00 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.12 1kkf h VAL 334 Cb 0.14 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1kkf h VAL 334 CO 0.00 0.01 -0.10 0.18 0.02 0.00 0.00 177.57 177.68 1kkf n LEU 335 N -3.13 0.50 -4.71 2.57 4.77 -0.07 -4.87 117.00 112.07 1kkf n LEU 335 Ca -0.01 -0.01 -0.43 0.00 -0.03 0.00 0.00 56.01 55.53 1kkf n LEU 335 Cb 0.24 -0.17 -0.02 0.00 -2.33 0.00 0.00 43.42 41.14 1kkf n LEU 335 CO 0.26 0.09 1.16 0.47 -1.33 0.00 0.00 177.39 178.04 1kkf n ASP 336 N -0.91 3.37 0.00 -1.43 10.43 -0.83 -2.80 116.55 124.38 1kkf n ASP 336 Ca 0.15 1.13 0.00 0.00 2.57 0.00 0.00 54.79 58.64 1kkf n ASP 336 Cb 0.27 -1.51 0.00 0.00 1.84 0.00 0.00 41.12 41.72 1kkf n ASP 336 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1kkf n GLY 337 N 2.40 0.74 3.78 0.44 0.00 0.57 -5.03 105.19 108.09 1kkf n GLY 337 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 1kkf n GLY 337 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kkf s LEU 338 N 0.00 4.48 0.06 0.99 1.43 -1.12 -4.94 118.68 119.57 1kkf s LEU 338 Ca 0.00 1.30 -0.22 0.00 -1.03 0.00 0.00 54.13 54.18 1kkf s LEU 338 Cb 0.00 -3.01 -0.14 0.00 0.03 0.00 0.00 46.19 43.07 1kkf s LEU 338 CO 0.00 0.15 1.55 0.50 0.23 0.00 0.00 176.35 178.78 1kkf h LYS 339 N 5.15 0.15 -4.71 1.70 1.63 -1.92 -2.94 116.57 115.63 1kkf h LYS 339 Ca -0.47 -0.03 -0.25 0.00 -0.85 0.00 0.00 60.65 59.06 1kkf h LYS 339 Cb 1.21 -0.02 -0.15 0.00 -0.60 0.00 0.00 32.23 32.66 1kkf h LYS 339 CO 0.68 0.32 -0.70 -1.21 -3.45 0.00 0.00 179.45 175.08 1kkf s GLU 340 N -5.30 0.84 -0.02 1.90 2.02 -1.26 -0.09 118.70 116.78 1kkf s GLU 340 Ca -0.14 -1.29 0.03 0.00 0.02 0.00 0.00 54.97 53.59 1kkf s GLU 340 Cb 0.05 -0.28 0.00 0.00 0.10 0.00 0.00 34.13 34.00 1kkf s GLU 340 CO 0.69 0.00 -0.10 0.54 0.02 0.00 0.00 175.26 176.42 1kkf s VAL 341 N -3.33 0.84 -0.05 2.63 0.11 0.57 -4.71 120.40 116.46 1kkf s VAL 341 Ca 0.10 -0.40 0.04 0.00 -2.93 0.00 0.00 61.98 58.79 1kkf s VAL 341 Cb 0.03 -0.74 -0.02 0.00 -1.53 0.00 0.00 36.38 34.12 1kkf s VAL 341 CO -0.03 0.26 -0.18 -0.54 -3.33 0.00 0.00 175.10 171.27 1kkf s LYS 342 N 0.12 2.54 -0.15 1.54 1.02 -1.26 0.29 119.74 123.84 1kkf s LYS 342 Ca -0.02 -0.77 0.00 0.00 0.02 0.00 0.00 55.97 55.19 1kkf s LYS 342 Cb -0.08 -2.31 -0.00 0.00 -0.52 0.00 0.00 37.83 34.92 1kkf s LYS 342 CO 0.00 0.52 -0.15 -0.51 -0.92 0.00 0.00 175.35 174.30 1kkf s LEU 343 N -0.48 2.50 0.02 3.17 1.43 -0.38 -4.01 118.68 120.94 1kkf s LEU 343 Ca 0.06 -0.46 -0.30 0.00 -1.03 0.00 0.00 54.13 52.40 1kkf s LEU 343 Cb -0.12 -1.57 -0.05 0.00 0.03 0.00 0.00 46.19 44.49 1kkf s LEU 343 CO 0.01 0.09 1.19 0.00 0.23 0.00 0.00 176.35 177.87 1kkf n VAL 345 N 4.17 0.00 -3.77 0.00 0.24 0.71 -1.92 118.33 117.76 1kkf n VAL 345 Ca 0.09 -0.26 -0.05 0.00 -2.04 0.00 0.00 64.34 62.09 1kkf n VAL 345 Cb 0.47 0.70 -0.02 0.00 -1.47 0.00 0.00 33.84 33.52 1kkf n VAL 345 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1kkf s ALA 346 N -2.19 -1.51 -0.05 2.33 0.00 -1.17 -4.72 121.76 114.46 1kkf s ALA 346 Ca 0.01 0.01 0.04 0.00 0.00 0.00 0.00 51.96 52.02 1kkf s ALA 346 Cb 0.07 0.71 -0.02 0.00 0.00 0.00 0.00 23.12 23.87 1kkf s ALA 346 CO 0.38 -1.02 -0.16 0.71 0.00 0.00 0.00 175.76 175.66 1kkf s TYR 347 N -3.51 2.63 -0.44 0.00 2.02 0.26 -1.12 117.35 117.20 1kkf s TYR 347 Ca 0.11 -0.22 -0.14 0.00 -0.37 0.00 0.00 57.07 56.45 1kkf s TYR 347 Cb -0.03 -1.61 0.06 0.00 -0.40 0.00 0.00 41.96 39.98 1kkf s TYR 347 CO 0.03 0.13 0.34 0.50 -1.57 0.00 0.00 175.55 174.99 1kkf s ARG 348 N -0.68 2.92 0.70 -0.62 6.06 0.99 0.10 118.95 128.42 1kkf s ARG 348 Ca 0.11 -1.27 -0.14 0.00 -2.50 0.00 0.00 55.73 51.92 1kkf s ARG 348 Cb -0.11 -4.02 0.02 0.00 0.06 0.00 0.00 34.95 30.90 1kkf s ARG 348 CO 0.00 -0.93 1.13 -1.64 -2.50 0.00 0.00 175.30 171.35 1kkf s MET 349 N 1.61 2.49 0.61 5.12 -1.94 0.25 -1.60 119.30 125.85 1kkf s MET 349 Ca 0.04 1.43 0.33 0.00 -1.71 0.00 0.00 55.69 55.78 1kkf s MET 349 Cb -0.23 -1.91 1.91 0.00 2.01 0.00 0.00 34.83 36.61 1kkf s MET 349 CO 0.07 -1.50 2.22 -1.35 -0.01 0.00 0.00 175.02 174.45 1kkf h PRO 350 N -0.32 0.00 -0.01 2.03 0.11 -1.87 0.26 132.00 132.19 1kkf h PRO 350 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1kkf h PRO 350 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1kkf h PRO 350 CO 0.52 0.00 -0.04 -0.40 -0.21 0.00 0.00 178.00 177.87 1kkf n ASP 351 N -3.59 1.23 0.00 -2.05 3.85 -1.26 -4.93 116.55 109.79 1kkf n ASP 351 Ca -0.02 -1.32 0.00 0.00 -0.71 0.00 0.00 54.79 52.75 1kkf n ASP 351 Cb 0.17 0.01 0.00 0.00 -1.35 0.00 0.00 41.12 39.95 1kkf n ASP 351 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1kkf n GLY 352 N 1.18 2.17 3.77 6.12 0.00 0.08 -5.08 105.19 113.43 1kkf n GLY 352 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1kkf n GLY 352 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1kkf s ARG 353 N -0.72 4.09 -0.26 1.61 0.52 -1.25 -4.69 118.95 118.25 1kkf s ARG 353 Ca 0.00 1.95 -0.12 0.00 -0.52 0.00 0.00 55.73 57.04 1kkf s ARG 353 Cb 0.00 -2.76 -0.05 0.00 0.52 0.00 0.00 34.95 32.66 1kkf s ARG 353 CO 0.00 -0.32 0.22 -2.00 0.02 0.00 0.00 175.30 173.22 1kkf s GLU 354 N -2.18 4.03 0.13 3.54 2.12 -1.26 0.85 118.70 125.92 1kkf s GLU 354 Ca 0.56 -0.20 0.08 0.00 0.36 0.00 0.00 54.97 55.76 1kkf s GLU 354 Cb -0.33 -3.60 -0.04 0.00 0.26 0.00 0.00 34.13 30.42 1kkf s GLU 354 CO 0.43 -0.09 -0.18 0.54 -0.54 0.00 0.00 175.26 175.42 1kkf s VAL 355 N 1.50 1.62 -0.49 3.70 0.11 0.28 -4.93 120.40 122.19 1kkf s VAL 355 Ca 0.09 -1.70 0.13 0.00 -2.93 0.00 0.00 61.98 57.58 1kkf s VAL 355 Cb -0.15 -1.61 0.37 0.00 -1.53 0.00 0.00 36.38 33.46 1kkf s VAL 355 CO 0.08 -0.24 1.30 0.35 -3.33 0.00 0.00 175.10 173.25 1kkf n THR 356 N 0.70 1.58 -4.40 5.04 -2.24 -1.26 0.92 114.28 114.62 1kkf n THR 356 Ca -0.16 -1.44 -0.25 0.00 -2.27 0.00 0.00 64.05 59.93 1kkf n THR 356 Cb 0.56 0.14 -0.10 0.00 -2.10 0.00 0.00 70.33 68.83 1kkf n THR 356 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1kkf s THR 357 N -1.87 2.78 0.08 4.28 2.01 -1.26 -4.82 115.64 116.84 1kkf s THR 357 Ca 0.30 -2.13 0.01 0.00 0.31 0.00 0.00 61.69 60.18 1kkf s THR 357 Cb 0.21 -2.44 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 1kkf s THR 357 CO 0.11 -0.31 0.18 0.42 -0.69 0.00 0.00 174.62 174.33 1kkf s THR 358 N -2.21 5.12 0.95 -0.82 -4.23 -1.26 -4.82 115.64 108.36 1kkf s THR 358 Ca 0.28 -0.56 -0.12 0.00 -1.18 0.00 0.00 61.69 60.11 1kkf s THR 358 Cb -0.06 -3.52 0.16 0.00 1.34 0.00 0.00 72.50 70.42 1kkf s THR 358 CO 0.15 0.09 1.10 -2.84 -0.54 0.00 0.00 174.62 172.58 1kkf s PRO 359 N -2.61 0.82 0.00 3.99 0.02 -1.26 -5.05 135.00 130.90 1kkf s PRO 359 Ca 0.33 0.57 0.00 0.00 0.02 0.00 0.00 61.00 61.93 1kkf s PRO 359 Cb -0.12 -1.78 0.00 0.00 0.02 0.00 0.00 34.50 32.62 1kkf s PRO 359 CO 0.26 -2.48 0.00 1.28 -0.33 0.00 0.00 177.00 175.73 1kkf n LEU 360 N -4.01 0.33 -4.73 -5.54 4.32 -1.26 -5.00 117.00 101.12 1kkf n LEU 360 Ca 0.06 0.00 -0.35 0.00 -0.02 0.00 0.00 56.01 55.70 1kkf n LEU 360 Cb 0.57 0.00 0.08 0.00 -1.62 0.00 0.00 43.42 42.45 1kkf n LEU 360 CO 0.57 0.00 0.81 0.00 -1.22 0.00 0.00 177.39 177.55 1kkf s ALA 361 N -4.32 2.22 0.19 -1.18 0.00 -1.26 -4.16 121.76 113.25 1kkf s ALA 361 Ca 0.00 0.91 -0.16 0.00 0.00 0.00 0.00 51.96 52.71 1kkf s ALA 361 Cb 0.00 -3.47 0.18 0.00 0.00 0.00 0.00 23.12 19.83 1kkf s ALA 361 CO 0.00 -1.72 1.63 0.00 0.00 0.00 0.00 175.76 175.66 1kkf h ALA 362 N -0.04 0.28 -0.85 0.00 0.00 -0.22 -1.81 119.26 116.63 1kkf h ALA 362 Ca -0.48 0.21 0.20 0.00 0.00 0.00 0.00 54.91 54.84 1kkf h ALA 362 Cb 1.30 0.49 -0.12 0.00 0.00 0.00 0.00 17.79 19.46 1kkf h ALA 362 CO 0.51 -0.48 0.30 -0.44 0.00 0.00 0.00 179.25 179.13 1kkf h ASP 363 N -0.05 0.17 0.00 0.00 5.19 -1.92 0.13 116.42 119.95 1kkf h ASP 363 Ca 0.26 0.16 0.00 0.00 -0.62 0.00 0.00 57.03 56.83 1kkf h ASP 363 Cb 0.45 0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.14 1kkf h ASP 363 CO -0.59 -0.04 0.00 0.47 -3.12 0.00 0.00 179.24 175.96 1kkf n ASP 364 N -5.11 0.00 -0.36 6.45 10.43 -0.68 -1.40 116.55 125.87 1kkf n ASP 364 Ca 0.19 -0.80 0.08 0.00 2.57 0.00 0.00 54.79 56.83 1kkf n ASP 364 Cb 0.60 0.00 -0.00 0.00 1.84 0.00 0.00 41.12 43.56 1kkf n ASP 364 CO 0.00 0.00 0.00 0.79 -1.07 0.00 0.00 177.20 176.92 1kkf n TRP 365 N -0.73 0.00 0.00 1.24 7.02 0.45 -4.73 117.44 120.69 1kkf n TRP 365 Ca 0.06 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.54 1kkf n TRP 365 Cb 0.03 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.92 1kkf n TRP 365 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1kkf n LYS 366 N -0.11 0.00 -0.95 -0.99 4.01 -0.49 -1.79 118.16 117.83 1kkf n LYS 366 Ca 0.07 0.32 -0.11 0.00 -0.51 0.00 0.00 58.31 58.07 1kkf n LYS 366 Cb 0.33 -0.51 0.19 0.00 -0.51 0.00 0.00 35.03 34.54 1kkf n LYS 366 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1kkf n GLY 367 N -0.88 4.78 3.74 0.72 0.00 -1.26 -5.00 105.19 107.29 1kkf n GLY 367 Ca 0.00 -1.19 -0.41 0.00 0.00 0.00 0.00 46.02 44.42 1kkf n GLY 367 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kkf s VAL 368 N -3.27 3.45 -0.01 1.61 1.01 -0.74 -4.21 120.40 118.23 1kkf s VAL 368 Ca 0.49 1.21 0.06 0.00 0.00 0.00 0.00 61.98 63.74 1kkf s VAL 368 Cb 0.43 -3.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.01 1kkf s VAL 368 CO 0.03 0.19 -0.20 -1.61 0.00 0.00 0.00 175.10 173.51 1kkf s GLU 369 N -0.21 2.20 0.11 2.72 0.41 -0.63 -4.86 118.70 118.44 1kkf s GLU 369 Ca 0.54 -0.88 -0.28 0.00 -0.41 0.00 0.00 54.97 53.94 1kkf s GLU 369 Cb -0.34 -2.19 -0.06 0.00 -1.78 0.00 0.00 34.13 29.76 1kkf s GLU 369 CO 0.37 0.57 0.89 -1.25 -0.49 0.00 0.00 175.26 175.36 1kkf s PRO 370 N -0.92 4.65 -0.21 0.39 0.04 -1.26 -0.01 135.00 137.67 1kkf s PRO 370 Ca 0.12 1.33 -0.05 0.00 0.04 0.00 0.00 61.00 62.44 1kkf s PRO 370 Cb -0.10 -3.36 -0.02 0.00 0.04 0.00 0.00 34.50 31.06 1kkf s PRO 370 CO 0.01 0.28 -0.01 0.42 0.04 0.00 0.00 177.00 177.74 1kkf s ILE 371 N -0.18 3.73 0.37 0.56 1.01 -0.27 -4.88 121.20 121.53 1kkf s ILE 371 Ca 0.43 -0.38 0.08 0.00 0.00 0.00 0.00 60.65 60.78 1kkf s ILE 371 Cb -0.23 -2.69 -0.02 0.00 0.01 0.00 0.00 42.46 39.53 1kkf s ILE 371 CO 0.28 0.42 0.33 -0.31 0.00 0.00 0.00 174.94 175.66 1kkf s TYR 372 N 1.25 2.83 -0.14 3.97 2.02 -1.26 -0.21 117.35 125.81 1kkf s TYR 372 Ca 0.03 -0.37 -0.00 0.00 -0.37 0.00 0.00 57.07 56.36 1kkf s TYR 372 Cb -0.15 -1.95 0.03 0.00 -0.40 0.00 0.00 41.96 39.50 1kkf s TYR 372 CO 0.00 0.06 -0.07 -2.00 -1.57 0.00 0.00 175.55 171.97 1kkf s GLU 373 N -4.05 1.59 -0.25 -0.62 2.12 -0.34 -4.84 118.70 112.31 1kkf s GLU 373 Ca 0.44 -0.41 -0.13 0.00 0.36 0.00 0.00 54.97 55.23 1kkf s GLU 373 Cb -0.05 -1.84 -0.04 0.00 0.26 0.00 0.00 34.13 32.46 1kkf s GLU 373 CO 0.27 -0.33 0.29 0.99 -0.54 0.00 0.00 175.26 175.94 1kkf s THR 374 N 1.64 5.25 0.27 -1.70 2.01 -1.26 -1.24 115.64 120.62 1kkf s THR 374 Ca 0.03 0.42 0.10 0.00 0.31 0.00 0.00 61.69 62.55 1kkf s THR 374 Cb -0.14 -3.62 -0.05 0.00 0.01 0.00 0.00 72.50 68.70 1kkf s THR 374 CO -0.08 0.24 -0.05 -0.04 -0.69 0.00 0.00 174.62 174.00 1kkf s MET 375 N 1.64 2.13 0.45 4.92 1.00 0.14 -4.95 119.30 124.64 1kkf s MET 375 Ca 0.12 -1.52 -0.24 0.00 0.00 0.00 0.00 55.69 54.05 1kkf s MET 375 Cb -0.15 -2.05 -0.07 0.00 0.00 0.00 0.00 34.83 32.55 1kkf s MET 375 CO 0.09 0.34 1.26 -2.14 0.00 0.00 0.00 175.02 174.56 1kkf s PRO 376 N -3.64 3.74 0.00 2.03 0.02 -1.26 -0.31 135.00 135.58 1kkf s PRO 376 Ca 0.31 2.02 0.00 0.00 0.02 0.00 0.00 61.00 63.36 1kkf s PRO 376 Cb -0.06 -2.54 0.00 0.00 0.02 0.00 0.00 34.50 31.93 1kkf s PRO 376 CO 0.19 -0.64 0.00 0.41 -0.33 0.00 0.00 177.00 176.63 1kkf n GLY 377 N 0.60 0.20 3.39 0.52 0.00 0.87 -4.49 105.19 106.29 1kkf n GLY 377 Ca 0.06 -1.74 -0.12 0.00 0.00 0.00 0.00 46.02 44.22 1kkf n GLY 377 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1kkf s TRP 378 N 0.64 -0.59 -0.18 1.61 -2.14 -1.11 -4.79 118.94 112.39 1kkf s TRP 378 Ca 0.00 1.37 0.20 0.00 2.66 0.00 0.00 56.10 60.33 1kkf s TRP 378 Cb 0.00 0.23 -0.07 0.00 -3.10 0.00 0.00 33.47 30.53 1kkf s TRP 378 CO 0.00 -0.29 0.92 -1.13 -2.66 0.00 0.00 176.95 173.79 1kkf n SER 379 N 3.16 0.80 -4.73 -2.66 3.41 -1.26 -0.32 113.62 112.02 1kkf n SER 379 Ca -0.16 0.33 -0.36 0.00 -0.26 0.00 0.00 58.87 58.42 1kkf n SER 379 Cb 0.56 0.42 0.07 0.00 -0.26 0.00 0.00 64.21 65.01 1kkf n SER 379 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1kkf s GLU 380 N -3.20 2.47 -0.07 4.33 8.01 -1.26 -4.42 118.70 124.56 1kkf s GLU 380 Ca -0.02 2.00 -0.23 0.00 0.01 0.00 0.00 54.97 56.73 1kkf s GLU 380 Cb 0.09 -1.84 -0.04 0.00 -4.31 0.00 0.00 34.13 28.03 1kkf s GLU 380 CO 0.80 -1.64 0.70 0.45 0.01 0.00 0.00 175.26 175.58 1kkf s SER 381 N -1.51 6.98 -0.00 -0.19 0.15 -1.26 -4.55 113.70 113.31 1kkf s SER 381 Ca 0.81 1.17 0.16 0.00 0.70 0.00 0.00 55.95 58.79 1kkf s SER 381 Cb -0.36 -2.41 -0.19 0.00 -1.71 0.00 0.00 66.02 61.35 1kkf s SER 381 CO 0.40 -0.13 0.61 0.41 1.20 0.00 0.00 173.24 175.73 1kkf n THR 382 N 3.82 0.00 -1.58 6.45 -1.04 -1.26 -4.95 114.28 115.73 1kkf n THR 382 Ca -0.01 -0.18 -0.49 0.00 -2.04 0.00 0.00 64.05 61.33 1kkf n THR 382 Cb 0.51 0.81 -0.04 0.00 -1.82 0.00 0.00 70.33 69.79 1kkf n THR 382 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 1kkf n PHE 383 N -1.53 1.28 -0.63 -1.42 -0.00 -1.26 -1.33 117.46 112.57 1kkf n PHE 383 Ca 0.02 0.69 0.00 0.00 -0.00 0.00 0.00 57.45 58.15 1kkf n PHE 383 Cb 0.29 -2.28 0.00 0.00 -0.00 0.00 0.00 39.48 37.49 1kkf n PHE 383 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1kkf n GLY 384 N 2.04 0.05 3.73 7.13 0.00 0.23 -4.93 105.19 113.44 1kkf n GLY 384 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 1kkf n GLY 384 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kkf s VAL 385 N -1.13 2.34 -1.90 1.61 1.01 -0.45 -4.73 120.40 117.16 1kkf s VAL 385 Ca 0.00 0.26 0.16 0.00 0.00 0.00 0.00 61.98 62.39 1kkf s VAL 385 Cb 0.00 -3.17 0.11 0.00 0.00 0.00 0.00 36.38 33.32 1kkf s VAL 385 CO 0.00 0.03 0.98 0.29 0.00 0.00 0.00 175.10 176.39 1kkf n LYS 386 N 3.44 1.26 -3.86 2.72 4.01 -1.26 -4.30 118.16 120.16 1kkf n LYS 386 Ca 0.13 -1.36 -0.12 0.00 -0.51 0.00 0.00 58.31 56.45 1kkf n LYS 386 Cb 0.37 -1.29 -0.12 0.00 -0.51 0.00 0.00 35.03 33.48 1kkf n LYS 386 CO 0.00 0.00 0.00 0.16 -1.11 0.00 0.00 177.40 176.45 1kkf s ASP 387 N -1.37 -0.03 0.20 4.39 -4.77 -1.26 -4.47 116.67 109.36 1kkf s ASP 387 Ca 0.18 0.02 -0.17 0.00 -3.30 0.00 0.00 52.55 49.28 1kkf s ASP 387 Cb 0.13 0.18 0.18 0.00 -1.09 0.00 0.00 42.92 42.32 1kkf s ASP 387 CO 0.22 -0.13 1.61 0.03 0.70 0.00 0.00 175.17 177.60 1kkf h ARG 388 N 5.50 -0.08 -0.12 2.11 3.08 -1.96 -0.08 114.38 122.83 1kkf h ARG 388 Ca -0.27 0.01 0.04 0.00 0.07 0.00 0.00 59.98 59.82 1kkf h ARG 388 Cb 1.20 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.27 1kkf h ARG 388 CO 0.44 -0.05 0.57 0.77 -1.07 0.00 0.00 179.97 180.62 1kkf h SER 389 N -0.08 0.00 0.14 7.04 0.02 -2.01 1.71 113.55 120.38 1kkf h SER 389 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 1kkf h SER 389 Cb 0.49 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.03 1kkf h SER 389 CO -0.63 0.00 -0.08 0.61 -1.14 0.00 0.00 176.83 175.59 1kkf n GLY 390 N -1.36 -0.55 3.79 -3.77 0.00 -0.04 -4.83 105.19 98.44 1kkf n GLY 390 Ca 0.01 -0.35 -0.38 0.00 0.00 0.00 0.00 46.02 45.31 1kkf n GLY 390 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1kkf s LEU 391 N -2.23 4.39 0.60 0.99 1.02 0.58 -4.88 118.68 119.15 1kkf s LEU 391 Ca 0.34 0.83 -0.16 0.00 0.02 0.00 0.00 54.13 55.17 1kkf s LEU 391 Cb 0.21 -2.55 -0.03 0.00 0.02 0.00 0.00 46.19 43.83 1kkf s LEU 391 CO 0.42 0.22 1.08 -2.16 0.02 0.00 0.00 176.35 175.93 1kkf s PRO 392 N -0.44 3.17 0.44 1.29 0.04 -1.26 -4.78 135.00 133.46 1kkf s PRO 392 Ca 0.23 1.32 0.17 0.00 0.04 0.00 0.00 61.00 62.75 1kkf s PRO 392 Cb -0.16 -2.01 1.09 0.00 0.04 0.00 0.00 34.50 33.47 1kkf s PRO 392 CO 0.11 -0.94 1.93 0.37 0.04 0.00 0.00 177.00 178.51 1kkf h GLN 393 N 0.45 0.36 -0.05 4.56 5.75 -1.97 0.35 115.11 124.56 1kkf h GLN 393 Ca -0.47 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.00 1kkf h GLN 393 Cb 1.23 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 29.70 1kkf h GLN 393 CO 0.56 0.24 0.03 0.00 -2.65 0.00 0.00 178.83 177.00 1kkf h ALA 394 N 1.66 0.06 -0.20 3.38 0.00 -1.91 0.27 119.26 122.52 1kkf h ALA 394 Ca 0.35 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.24 1kkf h ALA 394 Cb 0.86 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 1kkf h ALA 394 CO -0.10 -0.40 0.04 0.00 0.00 0.00 0.00 179.25 178.79 1kkf h ALA 395 N 0.93 0.20 -0.91 0.00 0.00 -1.32 0.66 119.26 118.83 1kkf h ALA 395 Ca 0.02 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1kkf h ALA 395 Cb 0.08 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.86 1kkf h ALA 395 CO -0.00 -0.39 0.59 -0.07 0.00 0.00 0.00 179.25 179.38 1kkf h LEU 396 N 0.12 0.95 0.15 0.00 3.38 -0.87 -1.81 115.31 117.23 1kkf h LEU 396 Ca 0.09 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 1kkf h LEU 396 Cb 0.08 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1kkf h LEU 396 CO -0.12 0.63 -0.07 0.78 0.09 0.00 0.00 178.44 179.75 1kkf h ASN 397 N 1.09 -0.17 -0.71 -0.43 -0.26 0.94 -0.93 115.58 115.11 1kkf h ASN 397 Ca 0.38 -0.10 0.16 0.00 -0.56 0.00 0.00 56.30 56.18 1kkf h ASN 397 Cb 0.10 0.04 -0.12 0.00 -1.06 0.00 0.00 38.32 37.29 1kkf h ASN 397 CO -0.13 -0.01 0.05 0.22 -1.06 0.00 0.00 177.43 176.50 1kkf h TYR 398 N -0.33 0.03 0.15 1.19 3.20 -0.52 0.17 116.97 120.86 1kkf h TYR 398 Ca -0.02 0.05 0.01 0.00 3.14 0.00 0.00 58.73 61.91 1kkf h TYR 398 Cb 0.26 0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.60 1kkf h TYR 398 CO -0.03 -0.18 -0.24 0.82 -1.64 0.00 0.00 178.16 176.89 1kkf h ILE 399 N 0.14 0.47 -0.96 1.81 2.04 -0.98 -2.14 117.51 117.89 1kkf h ILE 399 Ca 0.39 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.26 1kkf h ILE 399 Cb 0.67 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 1kkf h ILE 399 CO -0.59 0.00 0.64 0.50 0.00 0.00 0.00 178.15 178.70 1kkf h LYS 400 N -0.46 1.27 -0.65 2.37 3.64 0.28 -2.36 116.57 120.65 1kkf h LYS 400 Ca 0.02 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1kkf h LYS 400 Cb 0.47 -0.29 -0.03 0.00 -0.41 0.00 0.00 32.23 31.97 1kkf h LYS 400 CO -0.11 0.84 0.34 -0.09 -2.27 0.00 0.00 179.45 178.16 1kkf h ARG 401 N 1.31 0.92 -0.72 1.90 9.65 -0.45 -0.19 114.38 126.80 1kkf h ARG 401 Ca 0.35 -0.12 -0.01 0.00 -1.10 0.00 0.00 59.98 59.10 1kkf h ARG 401 Cb -0.15 -0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 28.22 1kkf h ARG 401 CO -0.08 0.71 0.40 0.82 2.80 0.00 0.00 179.97 184.62 1kkf h ILE 402 N 0.89 1.21 -0.09 1.20 2.04 -0.98 0.17 117.51 121.96 1kkf h ILE 402 Ca 0.23 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 1kkf h ILE 402 Cb 0.07 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 36.38 1kkf h ILE 402 CO -0.03 0.23 -0.02 -0.33 0.00 0.00 0.00 178.15 178.00 1kkf h GLU 403 N 1.00 0.17 -0.04 2.37 5.08 -0.90 -1.88 114.58 120.38 1kkf h GLU 403 Ca 0.25 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.57 1kkf h GLU 403 Cb 0.01 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1kkf h GLU 403 CO -0.04 0.49 -0.07 0.93 -1.00 0.00 0.00 179.01 179.31 1kkf h GLU 404 N -0.15 -0.10 -0.71 2.33 5.08 -0.48 1.65 114.58 122.21 1kkf h GLU 404 Ca 0.02 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.45 1kkf h GLU 404 Cb 0.42 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 1kkf h GLU 404 CO 0.01 -0.06 0.47 -0.07 -1.00 0.00 0.00 179.01 178.35 1kkf h LEU 405 N -0.10 0.67 0.00 1.33 3.38 -0.66 -3.22 115.31 116.71 1kkf h LEU 405 Ca 0.04 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.79 1kkf h LEU 405 Cb 0.16 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1kkf h LEU 405 CO -0.10 0.44 -2.12 0.35 0.09 0.00 0.00 178.44 177.09 1kkf n THR 406 N -4.47 0.83 -0.95 0.22 -2.24 -0.71 -5.00 114.28 101.95 1kkf n THR 406 Ca 0.10 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 1kkf n THR 406 Cb 0.20 -0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 1kkf n THR 406 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kkf n GLY 407 N 1.72 0.49 3.17 3.38 0.00 0.56 -5.03 105.19 109.49 1kkf n GLY 407 Ca -0.21 -0.34 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 1kkf n GLY 407 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1kkf s VAL 408 N -2.00 1.88 0.32 1.61 1.01 -1.20 -5.03 120.40 116.99 1kkf s VAL 408 Ca 0.00 -0.91 -0.28 0.00 0.00 0.00 0.00 61.98 60.79 1kkf s VAL 408 Cb 0.00 -1.64 -0.10 0.00 0.00 0.00 0.00 36.38 34.64 1kkf s VAL 408 CO 0.00 0.52 1.19 -2.16 0.00 0.00 0.00 175.10 174.65 1kkf s PRO 409 N 0.47 4.41 -0.79 2.72 0.04 -1.26 -4.42 135.00 136.17 1kkf s PRO 409 Ca -0.16 1.97 -0.22 0.00 0.04 0.00 0.00 61.00 62.63 1kkf s PRO 409 Cb -0.17 -3.04 0.08 0.00 0.04 0.00 0.00 34.50 31.41 1kkf s PRO 409 CO 0.07 -0.05 1.10 0.42 0.04 0.00 0.00 177.00 178.58 1kkf s ILE 410 N -1.21 4.35 -0.20 0.56 1.01 -1.26 -0.63 121.20 123.82 1kkf s ILE 410 Ca 0.49 -0.73 0.23 0.00 0.00 0.00 0.00 60.65 60.64 1kkf s ILE 410 Cb -0.35 -4.78 0.26 0.00 0.01 0.00 0.00 42.46 37.61 1kkf s ILE 410 CO 0.45 -1.57 1.66 0.44 0.00 0.00 0.00 174.94 175.92 1kkf h ASP 411 N 9.40 0.00 -4.03 3.58 3.45 -1.16 -3.46 116.42 124.20 1kkf h ASP 411 Ca -0.09 0.00 -0.20 0.00 0.43 0.00 0.00 57.03 57.17 1kkf h ASP 411 Cb 1.05 0.00 -0.26 0.00 -0.56 0.00 0.00 39.33 39.56 1kkf h ASP 411 CO 1.20 0.16 -0.64 -0.63 -1.57 0.00 0.00 179.24 177.76 1kkf s ILE 412 N -3.28 0.02 -0.09 0.35 1.01 -1.12 0.35 121.20 118.44 1kkf s ILE 412 Ca 0.04 -0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.52 1kkf s ILE 412 Cb 0.07 -0.15 0.02 0.00 0.01 0.00 0.00 42.46 42.40 1kkf s ILE 412 CO 0.66 -0.10 -0.12 -0.63 0.00 0.00 0.00 174.94 174.75 1kkf s ILE 413 N -0.30 1.21 -0.21 2.92 1.01 -0.32 -0.07 121.20 125.44 1kkf s ILE 413 Ca -0.04 -0.48 -0.09 0.00 0.00 0.00 0.00 60.65 60.04 1kkf s ILE 413 Cb -0.02 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 1kkf s ILE 413 CO 0.00 0.38 0.11 -0.55 0.00 0.00 0.00 174.94 174.88 1kkf s SER 414 N 0.96 5.88 -0.12 3.58 0.15 0.45 -0.88 113.70 123.72 1kkf s SER 414 Ca -0.08 0.10 0.15 0.00 0.70 0.00 0.00 55.95 56.82 1kkf s SER 414 Cb -0.15 -2.04 0.41 0.00 -1.71 0.00 0.00 66.02 62.53 1kkf s SER 414 CO -0.00 0.13 1.31 0.35 1.20 0.00 0.00 173.24 176.22 1kkf n THR 415 N 3.88 1.88 0.00 6.45 -2.24 0.14 -3.30 114.28 121.09 1kkf n THR 415 Ca -0.16 -1.73 0.00 0.00 -2.27 0.00 0.00 64.05 59.89 1kkf n THR 415 Cb 0.52 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 1kkf n THR 415 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1kkf n GLY 416 N -0.49 0.94 0.20 3.38 0.00 -1.20 0.75 105.19 108.77 1kkf n GLY 416 Ca 0.17 -0.93 0.05 0.00 0.00 0.00 0.00 46.02 45.31 1kkf n GLY 416 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1kkf h PRO 417 N 0.00 0.00 -6.92 1.61 0.11 -1.95 -3.44 132.00 121.40 1kkf h PRO 417 Ca 0.00 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.60 1kkf h PRO 417 Cb 0.00 0.00 0.06 0.00 0.11 0.00 0.00 31.00 31.17 1kkf h PRO 417 CO 0.00 0.31 0.54 0.34 -0.21 0.00 0.00 178.00 178.98 1kkf s ASP 418 N -6.78 6.57 0.51 -2.05 2.15 -1.26 -4.07 116.67 111.73 1kkf s ASP 418 Ca -0.03 2.46 0.31 0.00 0.43 0.00 0.00 52.55 55.72 1kkf s ASP 418 Cb 0.14 -2.63 1.43 0.00 -0.30 0.00 0.00 42.92 41.57 1kkf s ASP 418 CO 0.70 -0.65 1.82 -0.09 -0.17 0.00 0.00 175.17 176.78 1kkf h ARG 419 N 2.84 0.08 0.00 4.34 2.43 -1.49 -2.11 114.38 120.48 1kkf h ARG 419 Ca -0.49 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 58.60 1kkf h ARG 419 Cb 1.23 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.75 1kkf h ARG 419 CO 0.63 0.06 -1.17 1.79 -1.51 0.00 0.00 179.97 179.77 1kkf h THR 420 N 0.09 0.24 0.00 0.20 1.35 -1.91 -3.40 112.91 109.47 1kkf h THR 420 Ca 0.53 -1.47 -0.67 0.00 -0.55 0.00 0.00 66.41 64.25 1kkf h THR 420 Cb 1.93 1.76 0.01 0.00 -1.73 0.00 0.00 68.15 70.12 1kkf h THR 420 CO -0.07 0.13 2.75 -0.62 -0.25 0.00 0.00 175.52 177.47 1kkf n GLU 421 N -2.79 2.22 -3.62 4.72 1.02 -0.79 -4.77 120.64 116.63 1kkf n GLU 421 Ca -0.04 -2.20 -0.16 0.00 -0.02 0.00 0.00 57.16 54.74 1kkf n GLU 421 Cb 0.68 -3.07 -0.07 0.00 -0.02 0.00 0.00 31.44 28.96 1kkf n GLU 421 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1kkf s THR 422 N 4.02 0.02 -0.13 2.62 2.01 -1.26 -0.69 115.64 122.23 1kkf s THR 422 Ca 0.52 -0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.36 1kkf s THR 422 Cb 0.14 -0.84 0.02 0.00 0.01 0.00 0.00 72.50 71.83 1kkf s THR 422 CO 0.01 -0.09 -0.13 0.00 -0.69 0.00 0.00 174.62 173.72 1kkf s MET 423 N -1.12 2.11 -0.38 4.92 0.23 -0.06 -4.66 119.30 120.34 1kkf s MET 423 Ca -0.11 -0.49 -0.15 0.00 -1.03 0.00 0.00 55.69 53.91 1kkf s MET 423 Cb -0.02 -1.94 0.00 0.00 -1.53 0.00 0.00 34.83 31.34 1kkf s MET 423 CO 0.07 -0.20 0.32 0.42 -2.03 0.00 0.00 175.02 173.60 1kkf s ILE 424 N 1.42 5.22 -0.01 3.16 1.01 -1.26 -1.17 121.20 129.56 1kkf s ILE 424 Ca 0.02 -0.36 -0.15 0.00 0.00 0.00 0.00 60.65 60.16 1kkf s ILE 424 Cb -0.13 -3.87 -0.34 0.00 0.01 0.00 0.00 42.46 38.13 1kkf s ILE 424 CO -0.08 -0.21 0.86 -0.07 0.00 0.00 0.00 174.94 175.44 1kkf h LEU 425 N 8.69 0.73 -7.51 2.97 -0.00 -0.44 -3.46 115.31 116.30 1kkf h LEU 425 Ca -0.29 -0.93 -0.24 0.00 -0.00 0.00 0.00 57.88 56.43 1kkf h LEU 425 Cb 1.13 -0.24 -0.30 0.00 -0.00 0.00 0.00 40.66 41.25 1kkf h LEU 425 CO 0.71 1.72 -0.61 -0.60 -0.00 0.00 0.00 178.44 179.65 1kkf s ARG 426 N -2.57 0.08 -0.26 1.13 3.52 -0.76 -5.05 118.95 115.04 1kkf s ARG 426 Ca -0.12 0.27 -0.17 0.00 -0.13 0.00 0.00 55.73 55.58 1kkf s ARG 426 Cb 0.04 -0.11 -0.03 0.00 -1.56 0.00 0.00 34.95 33.29 1kkf s ARG 426 CO 0.90 -0.12 0.49 0.34 -0.81 0.00 0.00 175.30 176.11 1kkf s ASP 427 N 0.79 6.40 0.48 -2.12 3.68 -1.26 -4.65 116.67 120.00 1kkf s ASP 427 Ca -0.06 0.47 0.26 0.00 2.13 0.00 0.00 52.55 55.35 1kkf s ASP 427 Cb -0.08 -2.27 1.32 0.00 -1.45 0.00 0.00 42.92 40.44 1kkf s ASP 427 CO -0.04 -0.28 1.85 -0.65 0.13 0.00 0.00 175.17 176.19 1kkf h PRO 428 N 8.05 0.17 0.00 4.34 0.11 -1.94 0.45 132.00 143.18 1kkf h PRO 428 Ca -0.29 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.79 1kkf h PRO 428 Cb 1.14 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1kkf h PRO 428 CO 0.70 0.11 -0.09 0.74 -0.21 0.00 0.00 178.00 179.25 1kkf h PHE 429 N 0.18 0.00 0.03 0.65 0.05 -1.94 0.52 116.94 116.42 1kkf h PHE 429 Ca 0.49 0.00 -0.36 0.00 3.82 0.00 0.00 57.97 61.92 1kkf h PHE 429 Cb 1.61 0.00 -0.05 0.00 2.00 0.00 0.00 35.95 39.50 1kkf h PHE 429 CO -0.00 0.09 -2.19 -0.25 -0.18 0.00 0.00 178.31 175.79 1kkf n ASP 430 N -3.18 1.24 0.00 2.17 10.43 0.14 -2.60 116.55 124.75 1kkf n ASP 430 Ca 0.01 0.09 0.00 0.00 2.57 0.00 0.00 54.79 57.47 1kkf n ASP 430 Cb 0.42 -0.06 0.00 0.00 1.84 0.00 0.00 41.12 43.33 1kkf n ASP 430 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13