#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kem s GLN 2 N 0.00 4.44 -0.29 2.12 0.74 -0.04 -0.49 119.66 126.15 3kem s GLN 2 Ca 0.00 0.90 -0.07 0.00 0.05 0.00 0.00 55.36 56.24 3kem s GLN 2 Cb 0.00 -3.44 0.00 0.00 1.10 0.00 0.00 33.01 30.67 3kem s GLN 2 CO 0.00 0.09 0.09 0.42 -0.55 0.00 0.00 175.29 175.34 3kem s ILE 3 N 0.70 4.08 0.05 -2.34 1.01 -1.26 -0.69 121.20 122.75 3kem s ILE 3 Ca 0.38 -0.58 0.03 0.00 0.00 0.00 0.00 60.65 60.48 3kem s ILE 3 Cb -0.18 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 3kem s ILE 3 CO 0.19 0.12 0.01 -0.76 0.00 0.00 0.00 174.94 174.49 3kem s LEU 4 N 1.53 3.50 -0.09 2.97 1.02 -0.76 -0.87 118.68 125.99 3kem s LEU 4 Ca 0.03 -0.09 0.04 0.00 0.02 0.00 0.00 54.13 54.13 3kem s LEU 4 Cb -0.17 -2.14 -0.00 0.00 0.02 0.00 0.00 46.19 43.90 3kem s LEU 4 CO 0.03 0.22 -0.23 -0.76 0.02 0.00 0.00 176.35 175.62 3kem s LEU 5 N -1.99 2.13 0.55 1.79 1.02 -0.24 -1.48 118.68 120.47 3kem s LEU 5 Ca 0.23 -0.52 -0.18 0.00 0.02 0.00 0.00 54.13 53.67 3kem s LEU 5 Cb -0.12 -1.41 -0.06 0.00 0.02 0.00 0.00 46.19 44.62 3kem s LEU 5 CO 0.15 0.19 1.08 0.00 0.02 0.00 0.00 176.35 177.79 3kem s ALA 6 N 0.17 2.75 -0.14 4.21 0.00 -0.75 -1.06 121.76 126.94 3kem s ALA 6 Ca -0.13 0.62 -0.04 0.00 0.00 0.00 0.00 51.96 52.40 3kem s ALA 6 Cb -0.16 -3.29 0.07 0.00 0.00 0.00 0.00 23.12 19.74 3kem s ALA 6 CO 0.07 -0.66 0.26 1.21 0.00 0.00 0.00 175.76 176.63 3kem s ASN 7 N -2.17 0.53 0.85 0.00 2.47 -1.26 -4.16 114.94 111.20 3kem s ASN 7 Ca 0.68 0.44 -0.12 0.00 0.42 0.00 0.00 52.86 54.28 3kem s ASN 7 Cb -0.19 0.64 0.10 0.00 -1.45 0.00 0.00 41.25 40.36 3kem s ASN 7 CO 0.28 -0.26 1.14 -2.16 -3.72 0.00 0.00 177.10 172.38 3kem s PRO 8 N 2.40 1.66 0.18 0.43 0.04 -1.26 -3.83 135.00 134.62 3kem s PRO 8 Ca 0.03 0.31 -0.19 0.00 0.04 0.00 0.00 61.00 61.19 3kem s PRO 8 Cb -0.13 -1.90 0.04 0.00 0.04 0.00 0.00 34.50 32.55 3kem s PRO 8 CO -0.09 -1.84 0.53 -0.98 0.04 0.00 0.00 177.00 174.66 3kem s ARG 9 N -5.35 1.33 3.17 4.56 1.70 -1.26 -4.63 118.95 118.47 3kem s ARG 9 Ca 0.62 -0.74 0.00 0.00 -0.47 0.00 0.00 55.73 55.14 3kem s ARG 9 Cb -0.13 0.54 0.00 0.00 -0.57 0.00 0.00 34.95 34.78 3kem s ARG 9 CO 0.52 -0.57 0.00 0.41 -1.08 0.00 0.00 175.30 174.59 3kem n GLY 10 N -0.34 0.13 3.60 3.88 0.00 -0.09 -4.91 105.19 107.46 3kem n GLY 10 Ca -0.12 -0.93 -0.63 0.00 0.00 0.00 0.00 46.02 44.33 3kem n GLY 10 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kem n PHE 11 N 0.00 1.30 -2.89 1.61 3.01 -1.24 -3.85 117.46 115.40 3kem n PHE 11 Ca 0.00 1.10 -0.19 0.00 1.01 0.00 0.00 57.45 59.37 3kem n PHE 11 Cb 0.00 -2.14 0.04 0.00 -0.01 0.00 0.00 39.48 37.36 3kem n PHE 11 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kem h ALA 13 N 0.30 1.21 -0.28 0.00 0.00 -1.94 -2.25 119.26 116.29 3kem h ALA 13 Ca -0.38 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.08 3kem h ALA 13 Cb 1.28 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 3kem h ALA 13 CO 0.45 0.53 -0.15 0.78 0.00 0.00 0.00 179.25 180.86 3kem h GLY 14 N 1.12 0.65 0.94 0.00 0.00 -1.94 -2.54 103.07 101.31 3kem h GLY 14 Ca 0.02 -0.60 -0.05 0.00 0.00 0.00 0.00 47.33 46.70 3kem h GLY 14 CO 0.05 0.54 0.04 -2.08 0.00 0.00 0.00 176.54 175.09 3kem h VAL 15 N 0.34 1.25 -0.43 4.60 2.07 -1.83 -1.40 116.25 120.85 3kem h VAL 15 Ca 0.06 -0.93 0.05 0.00 0.82 0.00 0.00 66.70 66.70 3kem h VAL 15 Cb 0.67 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 3kem h VAL 15 CO 0.04 0.32 0.15 -0.78 0.02 0.00 0.00 177.57 177.32 3kem h ASP 16 N 0.52 0.16 0.15 0.57 -0.00 -1.41 -1.72 116.42 114.69 3kem h ASP 16 Ca 0.12 0.05 -0.01 0.00 -0.00 0.00 0.00 57.03 57.19 3kem h ASP 16 Cb 0.42 0.03 0.00 0.00 -0.00 0.00 0.00 39.33 39.78 3kem h ASP 16 CO 0.01 0.12 -0.07 -0.09 -0.00 0.00 0.00 179.24 179.22 3kem h ARG 17 N 0.32 -0.19 -0.24 0.28 2.43 -1.31 -2.18 114.38 113.48 3kem h ARG 17 Ca 0.20 0.01 0.06 0.00 -0.81 0.00 0.00 59.98 59.44 3kem h ARG 17 Cb 0.19 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.73 3kem h ARG 17 CO -0.20 -0.08 -0.12 0.00 -1.51 0.00 0.00 179.97 178.05 3kem h ALA 18 N 0.60 0.07 -0.11 2.80 0.00 -0.93 -0.33 119.26 121.35 3kem h ALA 18 Ca -0.02 0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.01 3kem h ALA 18 Cb 0.20 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3kem h ALA 18 CO 0.03 -0.54 -0.03 0.82 0.00 0.00 0.00 179.25 179.53 3kem h ILE 19 N -0.10 0.87 -0.22 0.00 1.08 -1.32 -1.66 117.51 116.17 3kem h ILE 19 Ca 0.13 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.67 3kem h ILE 19 Cb 0.29 0.87 -0.01 0.00 -3.07 0.00 0.00 36.82 34.91 3kem h ILE 19 CO -0.31 0.00 0.17 0.28 -0.69 0.00 0.00 178.15 177.60 3kem h SER 20 N -0.01 0.00 -0.20 1.72 0.02 -0.81 0.00 113.55 114.27 3kem h SER 20 Ca 0.06 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.93 3kem h SER 20 Cb 0.10 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.63 3kem h SER 20 CO -0.12 0.00 -0.19 0.40 -1.14 0.00 0.00 176.83 175.78 3kem h ILE 21 N 0.00 1.33 -0.18 3.27 2.04 -0.13 -0.13 117.51 123.71 3kem h ILE 21 Ca 0.11 -1.34 -0.05 0.00 1.00 0.00 0.00 64.86 64.59 3kem h ILE 21 Cb 0.45 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 3kem h ILE 21 CO -0.00 0.41 -0.06 0.58 0.00 0.00 0.00 178.15 179.07 3kem h VAL 22 N 0.16 1.30 -0.45 1.67 2.07 -0.89 -1.61 116.25 118.50 3kem h VAL 22 Ca 0.03 -1.08 0.03 0.00 0.82 0.00 0.00 66.70 66.51 3kem h VAL 22 Cb 0.72 1.63 -0.04 0.00 -1.52 0.00 0.00 31.29 32.08 3kem h VAL 22 CO 0.05 0.32 0.23 -0.33 0.02 0.00 0.00 177.57 177.86 3kem h GLU 23 N 0.07 0.45 -0.31 1.57 5.08 -1.06 -1.66 114.58 118.73 3kem h GLU 23 Ca 0.04 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3kem h GLU 23 Cb 0.53 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3kem h GLU 23 CO 0.02 0.30 0.07 -0.91 -1.00 0.00 0.00 179.01 177.49 3kem h ASN 24 N 0.47 0.47 -0.92 1.42 4.21 -0.99 -1.45 115.58 118.79 3kem h ASN 24 Ca 0.19 -0.24 0.08 0.00 1.21 0.00 0.00 56.30 57.54 3kem h ASN 24 Cb 0.08 -0.12 -0.07 0.00 -1.12 0.00 0.00 38.32 37.08 3kem h ASN 24 CO -0.12 0.58 0.57 0.00 -1.29 0.00 0.00 177.43 177.17 3kem h ALA 25 N 0.90 1.30 -0.46 -0.83 0.00 -1.08 0.39 119.26 119.48 3kem h ALA 25 Ca 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3kem h ALA 25 Cb 0.30 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3kem h ALA 25 CO 0.00 0.27 0.16 -0.07 0.00 0.00 0.00 179.25 179.61 3kem h LEU 26 N 0.99 0.66 -0.46 0.00 3.38 -1.05 0.25 115.31 119.09 3kem h LEU 26 Ca 0.42 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 58.11 3kem h LEU 26 Cb 0.27 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3kem h LEU 26 CO -0.21 0.68 -0.03 0.00 0.09 0.00 0.00 178.44 178.97 3kem h ALA 27 N 1.01 0.62 -0.09 1.53 0.00 -0.10 0.88 119.26 123.11 3kem h ALA 27 Ca 0.15 -0.29 -0.24 0.00 0.00 0.00 0.00 54.91 54.53 3kem h ALA 27 Cb 0.25 -0.17 0.01 0.00 0.00 0.00 0.00 17.79 17.88 3kem h ALA 27 CO -0.01 0.45 -0.88 0.82 0.00 0.00 0.00 179.25 179.63 3kem h ILE 28 N 0.68 1.28 -0.00 0.00 1.08 -0.15 -3.36 117.51 117.03 3kem h ILE 28 Ca 0.13 -2.09 0.00 0.00 -0.39 0.00 0.00 64.86 62.50 3kem h ILE 28 Cb 0.54 2.14 0.00 0.00 -3.07 0.00 0.00 36.82 36.44 3kem h ILE 28 CO 0.03 0.66 -0.35 -1.22 -0.69 0.00 0.00 178.15 176.57 3kem n TYR 29 N -3.90 0.00 -0.56 1.37 4.01 0.85 -5.08 117.16 113.86 3kem n TYR 29 Ca -0.09 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.73 3kem n TYR 29 Cb 0.80 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.80 3kem n TYR 29 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kem n GLY 30 N 1.09 -2.37 3.80 2.72 0.00 0.31 -4.87 105.19 105.87 3kem n GLY 30 Ca 0.03 -1.33 -0.33 0.00 0.00 0.00 0.00 46.02 44.38 3kem n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kem s ALA 31 N -2.71 2.86 0.35 4.61 0.00 -1.26 -4.47 121.76 121.14 3kem s ALA 31 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.45 3kem s ALA 31 Cb 0.00 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 3kem s ALA 31 CO 0.00 -0.45 0.56 -1.25 0.00 0.00 0.00 175.76 174.62 3kem s PRO 32 N -3.59 3.49 -0.11 0.00 0.04 -1.26 -5.15 135.00 128.42 3kem s PRO 32 Ca 0.65 -0.31 -0.00 0.00 0.04 0.00 0.00 61.00 61.38 3kem s PRO 32 Cb -0.15 -2.65 0.02 0.00 0.04 0.00 0.00 34.50 31.76 3kem s PRO 32 CO 0.26 0.13 -0.08 0.42 0.04 0.00 0.00 177.00 177.77 3kem s ILE 33 N -2.34 1.06 0.03 0.56 -1.09 -1.21 -4.76 121.20 113.46 3kem s ILE 33 Ca 0.40 -0.33 -0.22 0.00 -2.23 0.00 0.00 60.65 58.28 3kem s ILE 33 Cb -0.10 -1.06 -0.06 0.00 -1.58 0.00 0.00 42.46 39.67 3kem s ILE 33 CO 0.36 0.37 0.65 -0.31 -1.23 0.00 0.00 174.94 174.78 3kem s TYR 34 N 1.56 3.73 -0.09 3.97 1.51 -0.68 -0.78 117.35 126.56 3kem s TYR 34 Ca 0.02 1.31 0.02 0.00 -1.01 0.00 0.00 57.07 57.41 3kem s TYR 34 Cb -0.13 -2.66 0.02 0.00 -0.11 0.00 0.00 41.96 39.07 3kem s TYR 34 CO -0.07 0.37 -0.12 0.08 -1.11 0.00 0.00 175.55 174.70 3kem s VAL 35 N -0.32 1.22 -0.48 0.71 1.01 -0.04 -0.51 120.40 121.99 3kem s VAL 35 Ca 0.33 -0.49 -0.28 0.00 0.00 0.00 0.00 61.98 61.55 3kem s VAL 35 Cb -0.19 -1.14 0.03 0.00 0.00 0.00 0.00 36.38 35.08 3kem s VAL 35 CO 0.19 0.38 1.08 -0.60 0.00 0.00 0.00 175.10 176.16 3kem s ARG 36 N 0.99 3.66 0.13 2.72 3.52 -0.64 -1.43 118.95 127.89 3kem s ARG 36 Ca -0.08 0.43 0.00 0.00 -0.13 0.00 0.00 55.73 55.95 3kem s ARG 36 Cb -0.15 -3.92 0.00 0.00 -1.56 0.00 0.00 34.95 29.32 3kem s ARG 36 CO -0.00 -1.35 0.00 1.58 -0.81 0.00 0.00 175.30 174.71 3kem n HIS 37 N 7.67 -0.86 -1.65 5.12 -0.00 -0.50 -3.55 115.22 121.45 3kem n HIS 37 Ca 0.10 0.47 -0.49 0.00 -0.00 0.00 0.00 57.72 57.80 3kem n HIS 37 Cb 0.49 -0.90 -0.05 0.00 -0.00 0.00 0.00 29.99 29.53 3kem n HIS 37 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 3kem n GLU 38 N -2.23 1.78 -0.33 1.57 1.02 -1.26 -4.72 120.64 116.47 3kem n GLU 38 Ca -0.01 0.65 0.12 0.00 -0.02 0.00 0.00 57.16 57.89 3kem n GLU 38 Cb 0.13 -2.38 0.30 0.00 -0.02 0.00 0.00 31.44 29.46 3kem n GLU 38 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 3kem h VAL 39 N 3.93 0.69 -3.84 2.62 3.04 -1.93 -3.42 116.25 117.35 3kem h VAL 39 Ca -0.46 -0.24 -0.12 0.00 -1.01 0.00 0.00 66.70 64.87 3kem h VAL 39 Cb 1.29 -0.07 -0.17 0.00 -2.01 0.00 0.00 31.29 30.33 3kem h VAL 39 CO 0.87 0.13 -0.50 0.68 -1.01 0.00 0.00 177.57 177.73 3kem s VAL 40 N -5.89 0.14 -1.48 1.51 -7.23 -1.26 -1.61 120.40 104.59 3kem s VAL 40 Ca -0.11 -1.19 -0.12 0.00 -1.81 0.00 0.00 61.98 58.74 3kem s VAL 40 Cb 0.24 -1.07 0.02 0.00 0.56 0.00 0.00 36.38 36.14 3kem s VAL 40 CO 0.79 -0.66 2.38 1.41 -0.31 0.00 0.00 175.10 178.72 3kem n HIS 41 N 0.51 3.17 -3.68 2.82 -0.00 -1.26 -4.77 115.22 112.00 3kem n HIS 41 Ca -0.17 -2.98 -0.15 0.00 -0.00 0.00 0.00 57.72 54.41 3kem n HIS 41 Cb 0.60 -2.46 -0.14 0.00 -0.00 0.00 0.00 29.99 27.98 3kem n HIS 41 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 3kem s ASN 42 N 2.61 0.42 0.34 0.41 2.47 -1.26 -4.06 114.94 115.87 3kem s ASN 42 Ca 0.52 0.43 0.08 0.00 0.42 0.00 0.00 52.86 54.31 3kem s ASN 42 Cb 0.15 0.41 0.62 0.00 -1.45 0.00 0.00 41.25 40.97 3kem s ASN 42 CO -0.07 -0.22 1.81 0.08 -3.72 0.00 0.00 177.10 174.97 3kem h ARG 43 N 8.09 0.23 -0.30 0.43 0.11 -1.94 -0.94 114.38 120.06 3kem h ARG 43 Ca -0.20 -0.08 -0.05 0.00 0.10 0.00 0.00 59.98 59.75 3kem h ARG 43 Cb 1.12 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 32.17 3kem h ARG 43 CO 0.20 0.50 -0.02 -0.92 0.10 0.00 0.00 179.97 179.82 3kem h TYR 44 N 0.21 0.59 -0.35 4.08 3.20 -1.96 0.31 116.97 123.04 3kem h TYR 44 Ca 0.03 -0.11 -0.04 0.00 3.14 0.00 0.00 58.73 61.75 3kem h TYR 44 Cb 0.60 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 3kem h TYR 44 CO 0.01 0.69 0.06 0.28 -1.64 0.00 0.00 178.16 177.56 3kem h VAL 45 N 0.32 1.24 -0.11 1.81 2.07 -1.86 0.32 116.25 120.03 3kem h VAL 45 Ca 0.08 -0.84 -0.02 0.00 0.82 0.00 0.00 66.70 66.75 3kem h VAL 45 Cb 0.47 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3kem h VAL 45 CO 0.02 0.28 0.01 0.58 0.02 0.00 0.00 177.57 178.48 3kem h VAL 46 N 0.42 1.24 -0.28 2.57 2.07 -1.09 -1.59 116.25 119.59 3kem h VAL 46 Ca 0.11 -0.77 0.01 0.00 0.82 0.00 0.00 66.70 66.86 3kem h VAL 46 Cb 0.36 1.53 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 3kem h VAL 46 CO 0.01 0.22 0.17 0.44 0.02 0.00 0.00 177.57 178.43 3kem h ASP 47 N -0.06 0.28 -0.12 0.57 3.45 -0.37 0.15 116.42 120.32 3kem h ASP 47 Ca 0.03 -0.00 0.05 0.00 0.43 0.00 0.00 57.03 57.54 3kem h ASP 47 Cb 0.34 -0.06 -0.06 0.00 -0.56 0.00 0.00 39.33 38.98 3kem h ASP 47 CO 0.00 0.21 -0.29 -1.28 -1.57 0.00 0.00 179.24 176.31 3kem h SER 48 N 0.35 -0.89 -0.92 6.45 0.87 -0.84 -0.85 113.55 117.71 3kem h SER 48 Ca 0.11 0.13 0.00 0.00 -1.23 0.00 0.00 61.79 60.80 3kem h SER 48 Cb -0.02 0.38 -0.05 0.00 -0.44 0.00 0.00 62.40 62.28 3kem h SER 48 CO -0.04 -0.33 0.59 -0.07 -0.53 0.00 0.00 176.83 176.44 3kem h LEU 49 N -0.37 1.08 -1.12 2.23 3.38 -1.00 -1.76 115.31 117.75 3kem h LEU 49 Ca 0.10 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.04 3kem h LEU 49 Cb 0.51 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 3kem h LEU 49 CO -0.33 0.80 0.60 -0.09 0.09 0.00 0.00 178.44 179.50 3kem h ARG 50 N 1.26 1.16 0.00 1.13 2.43 -0.23 0.41 114.38 120.53 3kem h ARG 50 Ca 0.33 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.41 3kem h ARG 50 Cb -0.11 -0.26 -0.00 0.00 -0.42 0.00 0.00 29.97 29.18 3kem h ARG 50 CO -0.07 0.77 -0.13 1.49 -1.51 0.00 0.00 179.97 180.52 3kem h GLU 51 N 1.19 0.00 -0.01 0.20 4.22 -0.32 -2.05 114.58 117.82 3kem h GLU 51 Ca 0.34 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.78 3kem h GLU 51 Cb -0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.15 3kem h GLU 51 CO -0.08 0.13 -0.23 0.54 -2.18 0.00 0.00 179.01 177.18 3kem n ARG 52 N -3.39 0.92 0.00 1.92 1.74 0.02 -4.93 116.66 112.95 3kem n ARG 52 Ca -0.01 -0.54 0.00 0.00 -0.77 0.00 0.00 57.85 56.54 3kem n ARG 52 Cb 0.31 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 3kem n ARG 52 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kem n GLY 53 N 1.32 1.40 3.76 -0.13 0.00 -0.77 -4.78 105.19 105.99 3kem n GLY 53 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3kem n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kem s ALA 54 N -2.00 3.51 -0.25 4.61 0.00 -0.55 -3.29 121.76 123.78 3kem s ALA 54 Ca 0.00 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.14 3kem s ALA 54 Cb 0.00 -3.47 0.04 0.00 0.00 0.00 0.00 23.12 19.69 3kem s ALA 54 CO 0.00 -0.56 -0.09 0.42 0.00 0.00 0.00 175.76 175.53 3kem s ILE 55 N -0.69 2.54 -0.40 0.00 -1.09 0.04 -4.16 121.20 117.42 3kem s ILE 55 Ca 0.51 -1.26 -0.21 0.00 -2.23 0.00 0.00 60.65 57.46 3kem s ILE 55 Cb -0.38 -2.35 0.01 0.00 -1.58 0.00 0.00 42.46 38.17 3kem s ILE 55 CO 0.46 0.13 0.66 -0.36 -1.23 0.00 0.00 174.94 174.61 3kem s PHE 56 N 1.24 3.09 0.45 3.97 0.40 -1.26 -0.86 117.98 125.01 3kem s PHE 56 Ca -0.03 0.16 0.07 0.00 -0.60 0.00 0.00 56.93 56.54 3kem s PHE 56 Cb -0.18 -3.31 -0.00 0.00 0.51 0.00 0.00 43.02 40.04 3kem s PHE 56 CO -0.05 -0.78 0.40 0.96 0.70 0.00 0.00 175.22 176.45 3kem s ILE 57 N 2.85 2.39 -0.21 0.64 -5.25 -0.51 -4.89 121.20 116.21 3kem s ILE 57 Ca 0.25 -1.37 0.03 0.00 -0.99 0.00 0.00 60.65 58.57 3kem s ILE 57 Cb -0.14 -2.76 -0.15 0.00 2.95 0.00 0.00 42.46 42.36 3kem s ILE 57 CO 0.18 0.00 -0.17 1.21 -1.79 0.00 0.00 174.94 174.37 3kem n GLU 58 N -1.63 0.61 -4.74 0.37 2.13 -1.26 -1.41 120.64 114.70 3kem n GLU 58 Ca 0.03 0.11 -0.27 0.00 0.66 0.00 0.00 57.16 57.70 3kem n GLU 58 Cb 0.62 -1.44 -0.14 0.00 0.27 0.00 0.00 31.44 30.75 3kem n GLU 58 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 3kem s GLN 59 N -2.44 1.51 0.65 5.31 -0.21 -1.26 -4.77 119.66 118.46 3kem s GLN 59 Ca -0.28 -0.95 0.39 0.00 0.02 0.00 0.00 55.36 54.55 3kem s GLN 59 Cb 0.07 -1.61 2.18 0.00 1.00 0.00 0.00 33.01 34.65 3kem s GLN 59 CO 0.52 0.42 2.27 0.82 -2.12 0.00 0.00 175.29 177.20 3kem h ILE 60 N 4.37 0.11 -0.45 1.08 2.04 -1.97 -0.36 117.51 122.32 3kem h ILE 60 Ca -0.43 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.52 3kem h ILE 60 Cb 1.15 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 3kem h ILE 60 CO 0.44 0.00 0.31 0.28 0.00 0.00 0.00 178.15 179.18 3kem h SER 61 N 0.00 0.22 0.46 1.72 0.02 -2.00 0.03 113.55 114.01 3kem h SER 61 Ca 0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3kem h SER 61 Cb 0.14 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.64 3kem h SER 61 CO -0.00 0.14 0.00 -0.62 -1.14 0.00 0.00 176.83 175.21 3kem n GLU 62 N -4.46 0.41 -3.41 3.45 1.02 -0.14 -4.79 120.64 112.72 3kem n GLU 62 Ca 0.07 0.03 -0.38 0.00 -0.02 0.00 0.00 57.16 56.86 3kem n GLU 62 Cb 0.34 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.19 3kem n GLU 62 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3kem s VAL 63 N -2.53 5.22 0.61 2.62 1.01 -0.00 -5.07 120.40 122.25 3kem s VAL 63 Ca 0.26 0.71 -0.16 0.00 0.00 0.00 0.00 61.98 62.79 3kem s VAL 63 Cb 0.18 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.81 3kem s VAL 63 CO 0.40 0.29 1.09 -2.84 0.00 0.00 0.00 175.10 174.03 3kem s PRO 64 N 1.07 3.15 0.54 2.72 0.02 -1.26 -5.01 135.00 136.23 3kem s PRO 64 Ca 0.19 1.34 -0.21 0.00 0.02 0.00 0.00 61.00 62.34 3kem s PRO 64 Cb -0.14 -2.00 -0.05 0.00 0.02 0.00 0.00 34.50 32.32 3kem s PRO 64 CO 0.07 -0.96 1.24 -0.51 -0.33 0.00 0.00 177.00 176.51 3kem s ASP 65 N -2.53 5.48 0.00 2.53 1.11 -1.26 -2.70 116.67 119.31 3kem s ASP 65 Ca 0.66 2.48 0.00 0.00 0.18 0.00 0.00 52.55 55.87 3kem s ASP 65 Cb -0.19 -2.61 0.00 0.00 1.07 0.00 0.00 42.92 41.19 3kem s ASP 65 CO 0.36 -1.40 0.00 0.61 1.18 0.00 0.00 175.17 175.92 3kem n GLY 66 N 0.56 1.99 3.92 0.21 0.00 0.10 -5.03 105.19 106.94 3kem n GLY 66 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 3kem n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kem s ALA 67 N -3.12 2.69 -0.17 4.61 0.00 -1.10 -4.79 121.76 119.89 3kem s ALA 67 Ca 0.00 -0.90 -0.05 0.00 0.00 0.00 0.00 51.96 51.01 3kem s ALA 67 Cb 0.00 -2.79 -0.03 0.00 0.00 0.00 0.00 23.12 20.30 3kem s ALA 67 CO 0.00 -1.79 0.00 0.42 0.00 0.00 0.00 175.76 174.39 3kem s ILE 68 N -3.57 4.18 -0.03 0.00 1.01 -1.26 -1.36 121.20 120.16 3kem s ILE 68 Ca 0.65 -0.25 0.07 0.00 0.00 0.00 0.00 60.65 61.12 3kem s ILE 68 Cb -0.09 -2.86 -0.02 0.00 0.01 0.00 0.00 42.46 39.51 3kem s ILE 68 CO 0.49 0.47 -0.25 -0.22 0.00 0.00 0.00 174.94 175.42 3kem s LEU 69 N 0.50 2.08 -0.09 2.97 0.20 0.44 -1.68 118.68 123.10 3kem s LEU 69 Ca -0.01 -0.48 0.05 0.00 0.69 0.00 0.00 54.13 54.38 3kem s LEU 69 Cb -0.14 -1.36 -0.00 0.00 -0.43 0.00 0.00 46.19 44.26 3kem s LEU 69 CO 0.02 0.30 -0.24 -0.63 -0.29 0.00 0.00 176.35 175.51 3kem s ILE 70 N -0.48 2.10 0.16 6.68 -1.09 0.33 -0.86 121.20 128.04 3kem s ILE 70 Ca 0.06 -1.02 -0.22 0.00 -2.23 0.00 0.00 60.65 57.24 3kem s ILE 70 Cb -0.11 -1.79 -0.08 0.00 -1.58 0.00 0.00 42.46 38.91 3kem s ILE 70 CO 0.00 0.56 0.70 -0.36 -1.23 0.00 0.00 174.94 174.62 3kem s PHE 71 N 0.17 3.81 1.01 3.97 2.99 -0.43 -1.63 117.98 127.86 3kem s PHE 71 Ca -0.13 1.46 -0.12 0.00 0.00 0.00 0.00 56.93 58.14 3kem s PHE 71 Cb -0.16 -2.65 0.19 0.00 0.00 0.00 0.00 43.02 40.40 3kem s PHE 71 CO 0.07 0.49 1.08 -1.54 -0.00 0.00 0.00 175.22 175.32 3kem s SER 72 N -1.28 2.49 0.53 1.36 1.04 -1.23 -1.83 113.70 114.77 3kem s SER 72 Ca 0.36 1.31 0.27 0.00 0.48 0.00 0.00 55.95 58.37 3kem s SER 72 Cb -0.20 -2.00 1.50 0.00 0.10 0.00 0.00 66.02 65.42 3kem s SER 72 CO 0.23 -3.23 2.11 0.00 0.98 0.00 0.00 173.24 173.33 3kem h ALA 73 N -1.96 1.38 0.00 5.32 0.00 -1.41 -2.84 119.26 119.75 3kem h ALA 73 Ca -0.55 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3kem h ALA 73 Cb 1.32 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3kem h ALA 73 CO 0.56 0.12 0.00 0.72 0.00 0.00 0.00 179.25 180.65 3kem n HIS 74 N -3.75 0.83 0.00 0.00 8.25 -1.26 -1.43 115.22 117.86 3kem n HIS 74 Ca -0.02 0.31 0.00 0.00 -0.26 0.00 0.00 57.72 57.75 3kem n HIS 74 Cb 0.20 -1.00 0.00 0.00 1.12 0.00 0.00 29.99 30.31 3kem n HIS 74 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3kem n GLY 75 N 0.29 0.23 3.09 -1.41 0.00 -1.08 -4.12 105.19 102.18 3kem n GLY 75 Ca 0.03 -1.78 -0.08 0.00 0.00 0.00 0.00 46.02 44.19 3kem n GLY 75 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kem s VAL 76 N -2.42 0.28 0.82 1.61 -7.23 -1.26 -4.59 120.40 107.61 3kem s VAL 76 Ca 0.00 -1.70 -0.11 0.00 -1.81 0.00 0.00 61.98 58.36 3kem s VAL 76 Cb 0.00 -1.37 0.08 0.00 0.56 0.00 0.00 36.38 35.66 3kem s VAL 76 CO 0.00 -0.91 1.09 -0.94 -0.31 0.00 0.00 175.10 174.04 3kem s SER 77 N -2.73 4.26 0.43 4.85 1.04 -1.25 -4.74 113.70 115.56 3kem s SER 77 Ca 0.04 1.39 0.13 0.00 0.48 0.00 0.00 55.95 57.99 3kem s SER 77 Cb 0.05 -2.11 0.93 0.00 0.10 0.00 0.00 66.02 64.99 3kem s SER 77 CO -0.08 -2.12 1.97 1.56 0.98 0.00 0.00 173.24 175.54 3kem h GLN 78 N -1.19 0.07 -0.25 4.02 1.08 -1.70 -0.99 115.11 116.14 3kem h GLN 78 Ca -0.47 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 56.70 3kem h GLN 78 Cb 1.27 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.68 3kem h GLN 78 CO 0.58 0.24 0.10 0.00 -0.95 0.00 0.00 178.83 178.79 3kem h ALA 79 N 1.77 0.33 -0.54 3.87 0.00 -1.93 0.25 119.26 123.00 3kem h ALA 79 Ca 0.01 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 3kem h ALA 79 Cb 0.34 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3kem h ALA 79 CO 0.02 -0.07 0.23 0.28 0.00 0.00 0.00 179.25 179.71 3kem h VAL 80 N 0.25 1.22 -0.39 0.00 2.07 -1.81 0.30 116.25 117.89 3kem h VAL 80 Ca 0.08 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 3kem h VAL 80 Cb 0.19 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.58 3kem h VAL 80 CO -0.01 0.25 0.16 -0.09 0.02 0.00 0.00 177.57 177.91 3kem h ARG 81 N 0.73 0.59 -0.40 1.57 2.43 -0.93 -1.78 114.38 116.60 3kem h ARG 81 Ca 0.18 -0.10 -0.09 0.00 -0.81 0.00 0.00 59.98 59.16 3kem h ARG 81 Cb 0.18 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 3kem h ARG 81 CO -0.02 0.55 -0.12 -0.91 -1.51 0.00 0.00 179.97 177.97 3kem h ASN 82 N 0.49 0.70 -0.69 -3.80 2.35 -0.31 -1.63 115.58 112.68 3kem h ASN 82 Ca 0.13 -0.20 -0.03 0.00 -0.55 0.00 0.00 56.30 55.65 3kem h ASN 82 Cb 0.18 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 3kem h ASN 82 CO -0.01 0.84 0.32 -0.08 -1.65 0.00 0.00 177.43 176.85 3kem h GLU 83 N 0.64 1.00 -0.53 0.81 4.81 -0.71 -1.74 114.58 118.86 3kem h GLU 83 Ca 0.11 -0.15 -0.10 0.00 -0.13 0.00 0.00 59.36 59.09 3kem h GLU 83 Cb 0.57 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 3kem h GLU 83 CO 0.04 0.80 -0.06 0.00 -0.73 0.00 0.00 179.01 179.05 3kem h ALA 84 N 1.15 0.72 0.00 2.92 0.00 -1.04 -2.93 119.26 120.07 3kem h ALA 84 Ca 0.23 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 3kem h ALA 84 Cb 0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3kem h ALA 84 CO -0.03 0.59 -0.22 0.87 0.00 0.00 0.00 179.25 180.46 3kem h LYS 85 N 0.84 0.00 -0.00 0.00 1.57 -0.97 -2.33 116.57 115.67 3kem h LYS 85 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3kem h LYS 85 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 3kem h LYS 85 CO 0.04 0.22 -0.20 -1.13 -0.57 0.00 0.00 179.45 177.81 3kem n SER 86 N -4.01 0.32 -4.94 0.86 3.41 -0.68 -4.86 113.62 103.71 3kem n SER 86 Ca -0.02 -0.09 -0.24 0.00 -0.26 0.00 0.00 58.87 58.26 3kem n SER 86 Cb 0.30 -0.12 -0.02 0.00 -0.26 0.00 0.00 64.21 64.11 3kem n SER 86 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3kem s ARG 87 N -2.83 3.49 -1.29 4.33 1.81 -0.88 -5.00 118.95 118.57 3kem s ARG 87 Ca 0.18 -0.42 -0.14 0.00 -1.72 0.00 0.00 55.73 53.63 3kem s ARG 87 Cb 0.19 -2.76 0.12 0.00 -0.45 0.00 0.00 34.95 32.05 3kem s ARG 87 CO 0.57 0.28 1.74 -3.47 -0.68 0.00 0.00 175.30 173.74 3kem n ASP 88 N -1.38 4.89 -4.06 0.23 4.64 -1.26 -4.90 116.55 114.71 3kem n ASP 88 Ca -0.06 -2.97 -0.09 0.00 -1.38 0.00 0.00 54.79 50.30 3kem n ASP 88 Cb 0.56 -1.62 -0.10 0.00 -1.04 0.00 0.00 41.12 38.91 3kem n ASP 88 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3kem s LEU 89 N 2.10 2.39 -0.30 -2.67 1.43 -1.26 0.03 118.68 120.40 3kem s LEU 89 Ca 0.46 -0.80 -0.12 0.00 -1.03 0.00 0.00 54.13 52.64 3kem s LEU 89 Cb 0.04 0.11 -0.04 0.00 0.03 0.00 0.00 46.19 46.33 3kem s LEU 89 CO 0.01 -0.46 0.21 -0.89 0.23 0.00 0.00 176.35 175.45 3kem s THR 90 N -2.89 5.30 -0.07 5.49 2.01 -0.47 -4.98 115.64 120.04 3kem s THR 90 Ca -0.01 0.05 0.02 0.00 0.31 0.00 0.00 61.69 62.06 3kem s THR 90 Cb 0.00 -3.59 -0.03 0.00 0.01 0.00 0.00 72.50 68.90 3kem s THR 90 CO -0.06 0.17 -0.12 0.54 -0.69 0.00 0.00 174.62 174.46 3kem s VAL 91 N 1.75 3.27 -0.08 3.82 0.11 -1.26 -0.42 120.40 127.59 3kem s VAL 91 Ca 0.07 -0.63 0.03 0.00 -2.93 0.00 0.00 61.98 58.52 3kem s VAL 91 Cb -0.16 -2.32 0.00 0.00 -1.53 0.00 0.00 36.38 32.37 3kem s VAL 91 CO 0.11 0.58 -0.20 -0.36 -3.33 0.00 0.00 175.10 171.90 3kem s PHE 92 N -0.55 2.14 -0.45 1.54 0.08 -0.04 -4.97 117.98 115.72 3kem s PHE 92 Ca 0.08 -0.84 -0.16 0.00 0.12 0.00 0.00 56.93 56.12 3kem s PHE 92 Cb -0.12 -1.46 0.05 0.00 -0.57 0.00 0.00 43.02 40.92 3kem s PHE 92 CO 0.02 -0.35 0.42 0.34 -0.10 0.00 0.00 175.22 175.54 3kem s ASP 93 N 0.43 6.16 0.00 1.36 3.68 -1.26 -1.32 116.67 125.72 3kem s ASP 93 Ca -0.16 -1.03 0.16 0.00 2.13 0.00 0.00 52.55 53.65 3kem s ASP 93 Cb -0.17 -2.20 0.55 0.00 -1.45 0.00 0.00 42.92 39.64 3kem s ASP 93 CO 0.07 -0.63 1.42 0.00 0.13 0.00 0.00 175.17 176.15 3kem n ALA 94 N 5.44 2.48 -1.62 3.66 0.00 -0.76 -4.92 120.51 124.78 3kem n ALA 94 Ca -0.10 -0.59 -0.48 0.00 0.00 0.00 0.00 53.44 52.27 3kem n ALA 94 Cb 0.45 -1.03 -0.04 0.00 0.00 0.00 0.00 19.45 18.83 3kem n ALA 94 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3kem n THR 95 N 0.46 0.57 -2.00 0.00 -1.04 -1.16 -3.86 114.28 107.25 3kem n THR 95 Ca 0.14 -0.14 -0.41 0.00 -2.04 0.00 0.00 64.05 61.60 3kem n THR 95 Cb 0.33 -1.13 -0.02 0.00 -1.82 0.00 0.00 70.33 67.69 3kem n THR 95 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kem h PRO 97 N 4.94 0.00 0.00 0.00 0.11 -1.92 0.58 132.00 135.72 3kem h PRO 97 Ca -0.46 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 3kem h PRO 97 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 3kem h PRO 97 CO 0.77 0.00 -0.16 -0.07 -0.21 0.00 0.00 178.00 178.33 3kem h LEU 98 N 0.00 0.00 0.18 2.35 4.07 -1.98 -1.46 115.31 118.48 3kem h LEU 98 Ca 0.25 0.00 -0.34 0.00 0.08 0.00 0.00 57.88 57.87 3kem h LEU 98 Cb 1.15 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.90 3kem h LEU 98 CO -0.00 0.16 -1.67 0.58 -1.08 0.00 0.00 178.44 176.42 3kem h VAL 99 N 0.00 0.98 -0.77 1.22 2.07 -1.27 -3.30 116.25 115.17 3kem h VAL 99 Ca -0.00 -2.50 0.08 0.00 0.82 0.00 0.00 66.70 65.10 3kem h VAL 99 Cb 0.84 2.78 -0.05 0.00 -1.52 0.00 0.00 31.29 33.34 3kem h VAL 99 CO 0.02 0.83 0.50 0.74 0.02 0.00 0.00 177.57 179.69 3kem h THR 100 N 0.04 0.99 -0.81 2.57 2.02 -1.20 -0.43 112.91 116.09 3kem h THR 100 Ca -0.33 -0.26 0.01 0.00 0.77 0.00 0.00 66.41 66.60 3kem h THR 100 Cb 2.05 0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 68.58 3kem h THR 100 CO 0.17 0.14 0.53 0.50 0.37 0.00 0.00 175.52 177.23 3kem h LYS 101 N 0.76 1.05 -0.38 6.66 3.64 -1.35 -1.23 116.57 125.72 3kem h LYS 101 Ca 0.34 -0.06 -0.14 0.00 -1.27 0.00 0.00 60.65 59.52 3kem h LYS 101 Cb 0.35 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3kem h LYS 101 CO -0.12 0.69 -0.33 0.28 -2.27 0.00 0.00 179.45 177.70 3kem h VAL 102 N 1.08 1.28 -0.26 2.00 2.07 -1.21 -3.07 116.25 118.14 3kem h VAL 102 Ca 0.30 -1.49 0.06 0.00 0.82 0.00 0.00 66.70 66.40 3kem h VAL 102 Cb -0.09 1.33 -0.07 0.00 -1.52 0.00 0.00 31.29 30.94 3kem h VAL 102 CO -0.08 0.50 -0.23 0.45 0.02 0.00 0.00 177.57 178.23 3kem h HIS 103 N 0.71 -0.60 -0.85 1.57 3.86 -0.44 -1.78 115.15 117.61 3kem h HIS 103 Ca 0.07 0.04 0.13 0.00 -1.16 0.00 0.00 60.37 59.45 3kem h HIS 103 Cb 0.88 0.31 -0.06 0.00 1.06 0.00 0.00 27.41 29.60 3kem h HIS 103 CO 0.05 -0.31 0.55 0.52 0.86 0.00 0.00 177.93 179.61 3kem h MET 104 N -0.23 0.66 -0.23 2.45 2.86 -1.16 0.01 114.93 119.29 3kem h MET 104 Ca 0.14 -0.04 -0.16 0.00 -2.06 0.00 0.00 59.70 57.58 3kem h MET 104 Cb 0.44 -0.15 -0.00 0.00 0.06 0.00 0.00 31.60 31.95 3kem h MET 104 CO -0.39 0.44 -0.52 0.93 1.06 0.00 0.00 176.91 178.42 3kem h GLU 105 N 0.68 0.67 -0.48 1.72 4.39 -1.28 -1.37 114.58 118.91 3kem h GLU 105 Ca 0.42 -0.41 -0.12 0.00 0.34 0.00 0.00 59.36 59.59 3kem h GLU 105 Cb 0.65 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.32 3kem h GLU 105 CO -0.18 1.02 -0.17 0.28 -1.16 0.00 0.00 179.01 178.81 3kem h VAL 106 N 0.52 1.27 -0.35 3.13 2.07 -0.62 -1.78 116.25 120.49 3kem h VAL 106 Ca 0.02 -1.32 -0.05 0.00 0.82 0.00 0.00 66.70 66.17 3kem h VAL 106 Cb 1.08 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 3kem h VAL 106 CO 0.11 0.45 0.02 0.00 0.02 0.00 0.00 177.57 178.17 3kem h ALA 107 N 0.87 1.38 0.68 1.67 0.00 -0.91 -1.96 119.26 120.98 3kem h ALA 107 Ca 0.11 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3kem h ALA 107 Cb 0.73 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.38 3kem h ALA 107 CO 0.06 0.44 -0.32 -0.09 0.00 0.00 0.00 179.25 179.33 3kem h ARG 108 N 0.52 -0.87 -0.98 0.00 2.43 -0.89 -1.98 114.38 112.61 3kem h ARG 108 Ca 0.11 0.06 0.20 0.00 -0.81 0.00 0.00 59.98 59.55 3kem h ARG 108 Cb 0.31 0.20 -0.11 0.00 -0.42 0.00 0.00 29.97 29.95 3kem h ARG 108 CO 0.01 -0.55 0.57 0.00 -1.51 0.00 0.00 179.97 178.49 3kem h ALA 109 N -1.01 1.64 -0.60 2.80 0.00 -1.22 0.83 119.26 121.70 3kem h ALA 109 Ca -0.09 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3kem h ALA 109 Cb 0.73 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 3kem h ALA 109 CO 0.15 -0.13 0.39 1.03 0.00 0.00 0.00 179.25 180.69 3kem h SER 110 N 0.67 0.69 0.20 0.00 0.87 -1.23 -0.68 113.55 114.08 3kem h SER 110 Ca 0.58 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 61.12 3kem h SER 110 Cb 0.97 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 3kem h SER 110 CO -0.42 0.51 0.00 0.54 -0.53 0.00 0.00 176.83 176.93 3kem n ARG 111 N -4.66 0.38 -0.14 2.24 1.74 0.24 -1.86 116.66 114.59 3kem n ARG 111 Ca 0.04 0.07 0.05 0.00 -0.77 0.00 0.00 57.85 57.24 3kem n ARG 111 Cb 0.03 -1.50 0.11 0.00 -1.02 0.00 0.00 32.46 30.08 3kem n ARG 111 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3kem n ARG 112 N -1.17 2.71 -0.83 5.56 1.74 -0.31 -4.97 116.66 119.39 3kem n ARG 112 Ca 0.10 -2.05 -0.03 0.00 -0.77 0.00 0.00 57.85 55.11 3kem n ARG 112 Cb 0.11 -1.29 -0.01 0.00 -1.02 0.00 0.00 32.46 30.24 3kem n ARG 112 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kem n GLY 113 N -0.26 0.28 3.80 -0.13 0.00 -0.78 -4.92 105.19 103.18 3kem n GLY 113 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.73 3kem n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kem s GLU 114 N -1.73 4.18 0.44 1.61 2.02 -0.91 -4.17 118.70 120.13 3kem s GLU 114 Ca 0.00 0.66 -0.23 0.00 0.02 0.00 0.00 54.97 55.42 3kem s GLU 114 Cb 0.00 -3.26 -0.08 0.00 0.10 0.00 0.00 34.13 30.89 3kem s GLU 114 CO 0.00 0.58 1.10 -1.21 0.02 0.00 0.00 175.26 175.75 3kem s GLU 115 N -0.86 3.92 0.07 1.61 2.02 -1.17 -4.38 118.70 119.91 3kem s GLU 115 Ca 0.28 1.62 0.06 0.00 0.02 0.00 0.00 54.97 56.95 3kem s GLU 115 Cb -0.19 -2.43 -0.03 0.00 0.10 0.00 0.00 34.13 31.59 3kem s GLU 115 CO 0.17 -0.38 -0.15 -1.12 0.02 0.00 0.00 175.26 173.80 3kem s SER 116 N -1.51 1.84 -0.11 -0.19 0.01 -0.50 -2.12 113.70 111.12 3kem s SER 116 Ca 0.62 -0.62 0.03 0.00 1.31 0.00 0.00 55.95 57.29 3kem s SER 116 Cb -0.25 -0.07 -0.00 0.00 0.21 0.00 0.00 66.02 65.91 3kem s SER 116 CO 0.30 -0.04 -0.20 -0.63 0.41 0.00 0.00 173.24 173.08 3kem s ILE 117 N -1.22 2.40 -0.16 1.44 -1.09 0.71 -1.65 121.20 121.63 3kem s ILE 117 Ca -0.00 -0.90 -0.04 0.00 -2.23 0.00 0.00 60.65 57.48 3kem s ILE 117 Cb -0.10 -1.95 -0.03 0.00 -1.58 0.00 0.00 42.46 38.80 3kem s ILE 117 CO 0.03 0.55 -0.03 -0.22 -1.23 0.00 0.00 174.94 174.03 3kem s LEU 118 N 0.35 3.23 -0.26 2.97 0.20 0.12 -0.91 118.68 124.38 3kem s LEU 118 Ca -0.16 -0.15 -0.16 0.00 0.69 0.00 0.00 54.13 54.35 3kem s LEU 118 Cb -0.17 -1.78 -0.04 0.00 -0.43 0.00 0.00 46.19 43.77 3kem s LEU 118 CO 0.08 0.15 0.40 -0.63 -0.29 0.00 0.00 176.35 176.06 3kem s ILE 119 N 0.50 5.16 -0.05 6.68 1.09 -0.40 -0.76 121.20 133.42 3kem s ILE 119 Ca -0.03 0.64 -0.30 0.00 -1.10 0.00 0.00 60.65 59.86 3kem s ILE 119 Cb -0.14 -3.72 0.10 0.00 -1.06 0.00 0.00 42.46 37.63 3kem s ILE 119 CO 0.03 0.15 1.33 -0.83 -0.10 0.00 0.00 174.94 175.51 3kem s GLY 120 N 1.59 -0.18 -0.25 6.18 0.00 -1.00 -0.88 107.32 112.78 3kem s GLY 120 Ca 0.16 0.13 -0.11 0.00 0.00 0.00 0.00 44.72 44.90 3kem s GLY 120 CO 0.10 5.92 0.16 0.30 0.00 0.00 0.00 173.10 179.58 3kem s HIS 121 N -2.02 3.30 0.32 1.90 3.76 -1.26 -4.16 115.29 117.14 3kem s HIS 121 Ca 0.30 0.21 -0.29 0.00 -0.15 0.00 0.00 55.06 55.13 3kem s HIS 121 Cb 0.00 -2.28 -0.12 0.00 1.11 0.00 0.00 32.58 31.29 3kem s HIS 121 CO -0.02 0.03 1.48 0.00 -0.85 0.00 0.00 174.74 175.39 3kem n ALA 122 N 4.39 2.09 0.00 -1.40 0.00 -1.26 -2.58 120.51 121.76 3kem n ALA 122 Ca -0.15 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.66 3kem n ALA 122 Cb 0.52 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.58 3kem n ALA 122 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kem n GLY 123 N 1.31 2.99 3.74 0.00 0.00 -1.26 -5.04 105.19 106.93 3kem n GLY 123 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3kem n GLY 123 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3kem s HIS 124 N -2.75 3.12 0.42 1.61 5.04 -1.06 -4.90 115.29 116.76 3kem s HIS 124 Ca 0.00 1.04 0.17 0.00 -1.54 0.00 0.00 55.06 54.74 3kem s HIS 124 Cb 0.00 -3.75 1.08 0.00 0.04 0.00 0.00 32.58 29.95 3kem s HIS 124 CO 0.00 -2.46 1.87 -1.00 -2.34 0.00 0.00 174.74 170.80 3kem h PRO 125 N 5.47 0.40 -0.37 2.88 0.13 -1.95 -0.44 132.00 138.12 3kem h PRO 125 Ca -0.45 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.59 3kem h PRO 125 Cb 1.21 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 3kem h PRO 125 CO 0.80 0.26 -0.05 1.49 -0.23 0.00 0.00 178.00 180.26 3kem h GLU 126 N 0.41 0.61 -0.37 0.86 4.81 -1.86 0.27 114.58 119.32 3kem h GLU 126 Ca 0.45 -0.16 -0.08 0.00 -0.13 0.00 0.00 59.36 59.44 3kem h GLU 126 Cb 1.12 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.41 3kem h GLU 126 CO -0.17 0.68 -0.09 0.28 -0.73 0.00 0.00 179.01 178.97 3kem h VAL 127 N 0.57 1.28 -0.31 0.32 2.07 -1.40 0.12 116.25 118.90 3kem h VAL 127 Ca 0.11 -1.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.45 3kem h VAL 127 Cb 0.45 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.48 3kem h VAL 127 CO 0.02 0.39 0.13 -0.08 0.02 0.00 0.00 177.57 178.05 3kem h GLU 128 N 0.51 0.46 -0.35 1.57 4.81 -1.10 0.89 114.58 121.37 3kem h GLU 128 Ca 0.09 -0.08 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3kem h GLU 128 Cb 0.61 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 3kem h GLU 128 CO 0.04 0.46 0.23 0.78 -0.73 0.00 0.00 179.01 179.79 3kem h GLY 129 N 0.36 0.49 0.58 1.92 0.00 -0.79 0.26 103.07 105.89 3kem h GLY 129 Ca 0.11 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.25 3kem h GLY 129 CO -0.01 0.17 -0.05 -0.84 0.00 0.00 0.00 176.54 175.82 3kem h THR 130 N 0.46 1.12 0.00 4.70 2.02 -0.60 -2.56 112.91 118.05 3kem h THR 130 Ca 0.13 -0.89 -0.01 0.00 0.77 0.00 0.00 66.41 66.41 3kem h THR 130 Cb -0.05 1.68 -0.00 0.00 -1.74 0.00 0.00 68.15 68.04 3kem h THR 130 CO -0.03 0.21 -0.05 0.24 0.37 0.00 0.00 175.52 176.26 3kem h MET 131 N -0.55 0.00 0.00 6.66 2.86 -0.82 0.68 114.93 123.76 3kem h MET 131 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3kem h MET 131 Cb 0.45 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.11 3kem h MET 131 CO 0.02 0.05 0.00 0.41 1.06 0.00 0.00 176.91 178.45 3kem n GLY 132 N -1.14 -0.58 0.28 8.32 0.00 0.92 -1.87 105.19 111.12 3kem n GLY 132 Ca -0.03 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.02 3kem n GLY 132 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kem n GLN 133 N -1.07 0.86 -3.55 1.61 1.13 0.23 -2.16 117.38 114.43 3kem n GLN 133 Ca 0.11 -0.56 -0.36 0.00 -1.94 0.00 0.00 57.00 54.24 3kem n GLN 133 Cb 0.07 -1.49 -0.07 0.00 0.11 0.00 0.00 30.24 28.86 3kem n GLN 133 CO 0.00 0.00 0.00 -0.47 -1.44 0.00 0.00 177.06 175.15 3kem s TYR 134 N -2.53 3.42 0.00 1.08 5.04 -0.78 -4.04 117.35 119.54 3kem s TYR 134 Ca 0.22 0.52 0.00 0.00 -2.44 0.00 0.00 57.07 55.38 3kem s TYR 134 Cb 0.19 -2.34 0.00 0.00 0.35 0.00 0.00 41.96 40.16 3kem s TYR 134 CO 0.55 0.18 0.00 0.43 -1.34 0.00 0.00 175.55 175.37 3kem n SER 135 N 3.80 0.02 -4.42 4.32 7.64 -1.26 -5.05 113.62 118.67 3kem n SER 135 Ca -0.12 0.00 -0.61 0.00 1.01 0.00 0.00 58.87 59.15 3kem n SER 135 Cb 0.52 -0.01 -0.11 0.00 -1.01 0.00 0.00 64.21 63.60 3kem n SER 135 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 3kem n ASN 136 N -2.99 1.09 0.22 6.43 4.05 -1.26 -4.84 115.26 117.95 3kem n ASN 136 Ca 0.00 0.80 0.06 0.00 0.45 0.00 0.00 54.58 55.89 3kem n ASN 136 Cb 0.47 -0.95 0.49 0.00 1.23 0.00 0.00 39.78 41.03 3kem n ASN 136 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 3kem h PRO 137 N 8.28 0.00 0.00 1.20 0.11 -1.96 -2.76 132.00 136.87 3kem h PRO 137 Ca -0.22 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.89 3kem h PRO 137 Cb 1.39 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.50 3kem h PRO 137 CO 1.05 0.24 -0.02 0.93 -0.21 0.00 0.00 178.00 180.00 3kem h GLU 138 N 0.00 0.00 0.00 1.05 5.08 -1.93 -3.43 114.58 115.35 3kem h GLU 138 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kem h GLU 138 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3kem h GLU 138 CO 0.03 0.02 0.00 0.41 -1.00 0.00 0.00 179.01 178.47 3kem n GLY 139 N 0.11 0.53 0.00 -3.84 0.00 -1.04 -4.98 105.19 95.97 3kem n GLY 139 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 3kem n GLY 139 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kem n GLY 140 N 5.00 1.62 2.90 -0.02 0.00 -1.26 -4.90 105.19 108.53 3kem n GLY 140 Ca 0.00 -0.26 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 3kem n GLY 140 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3kem s MET 141 N -1.78 1.51 0.12 1.61 1.75 -1.26 -1.41 119.30 119.84 3kem s MET 141 Ca 0.00 -0.52 0.10 0.00 -1.25 0.00 0.00 55.69 54.02 3kem s MET 141 Cb 0.00 -2.00 -0.04 0.00 2.84 0.00 0.00 34.83 35.63 3kem s MET 141 CO 0.00 -0.41 -0.26 0.71 -0.65 0.00 0.00 175.02 174.41 3kem s TYR 142 N 1.62 2.21 -0.09 4.11 1.51 -0.66 -5.02 117.35 121.02 3kem s TYR 142 Ca 0.01 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 55.69 3kem s TYR 142 Cb -0.15 -1.21 -0.02 0.00 -0.11 0.00 0.00 41.96 40.47 3kem s TYR 142 CO -0.08 0.30 -0.11 -1.17 -1.11 0.00 0.00 175.55 173.38 3kem s LEU 143 N -1.96 2.87 -0.03 -1.29 2.96 -1.26 0.14 118.68 120.11 3kem s LEU 143 Ca 0.12 -0.20 0.01 0.00 -0.22 0.00 0.00 54.13 53.85 3kem s LEU 143 Cb -0.10 -1.63 0.01 0.00 0.50 0.00 0.00 46.19 44.98 3kem s LEU 143 CO 0.05 0.26 -0.06 0.68 -1.32 0.00 0.00 176.35 175.97 3kem s VAL 144 N -0.23 0.57 -0.03 1.68 -7.23 0.06 -4.93 120.40 110.29 3kem s VAL 144 Ca 0.02 -0.19 0.14 0.00 -1.81 0.00 0.00 61.98 60.13 3kem s VAL 144 Cb -0.13 -0.56 -0.22 0.00 0.56 0.00 0.00 36.38 36.03 3kem s VAL 144 CO 0.03 0.21 0.29 -0.62 -0.31 0.00 0.00 175.10 174.70 3kem n GLU 145 N 3.69 0.53 -4.11 4.82 1.02 -1.26 -2.36 120.64 122.96 3kem n GLU 145 Ca -0.22 -0.12 -0.14 0.00 -0.02 0.00 0.00 57.16 56.65 3kem n GLU 145 Cb 0.53 -1.34 -0.05 0.00 -0.02 0.00 0.00 31.44 30.56 3kem n GLU 145 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3kem s SER 146 N -3.70 0.84 0.39 1.62 1.04 -1.26 -4.88 113.70 107.75 3kem s SER 146 Ca -0.05 -1.45 0.11 0.00 0.48 0.00 0.00 55.95 55.03 3kem s SER 146 Cb 0.09 0.62 0.81 0.00 0.10 0.00 0.00 66.02 67.64 3kem s SER 146 CO 0.59 -1.22 1.92 -0.65 0.98 0.00 0.00 173.24 174.86 3kem h PRO 147 N 2.17 0.17 0.19 4.02 0.11 -1.90 -2.78 132.00 133.98 3kem h PRO 147 Ca -0.28 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.78 3kem h PRO 147 Cb 1.24 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.33 3kem h PRO 147 CO 0.39 0.34 -0.09 -0.44 -0.21 0.00 0.00 178.00 178.00 3kem h ASP 148 N 0.16 -0.21 -0.95 -2.05 3.32 -1.99 0.15 116.42 114.84 3kem h ASP 148 Ca 0.03 0.01 0.14 0.00 0.02 0.00 0.00 57.03 57.23 3kem h ASP 148 Cb 0.40 0.06 -0.08 0.00 0.22 0.00 0.00 39.33 39.93 3kem h ASP 148 CO 0.03 -0.15 0.60 0.44 -1.72 0.00 0.00 179.24 178.44 3kem h ASP 149 N -0.25 0.78 -0.43 6.45 3.32 -1.91 0.52 116.42 124.90 3kem h ASP 149 Ca -0.03 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 3kem h ASP 149 Cb 0.19 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 3kem h ASP 149 CO 0.04 0.39 0.10 0.58 -1.72 0.00 0.00 179.24 178.63 3kem h VAL 150 N 0.82 1.23 -0.17 -1.35 2.07 -1.07 0.69 116.25 118.48 3kem h VAL 150 Ca 0.49 -0.81 0.02 0.00 0.82 0.00 0.00 66.70 67.22 3kem h VAL 150 Cb 0.66 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 3kem h VAL 150 CO -0.25 0.29 0.11 -0.50 0.02 0.00 0.00 177.57 177.24 3kem h TRP 151 N 0.57 0.11 -0.01 1.57 -0.00 0.14 -2.44 115.95 115.89 3kem h TRP 151 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.03 3kem h TRP 151 Cb 0.32 -0.04 0.00 0.00 -0.00 0.00 0.00 29.16 29.44 3kem h TRP 151 CO 0.02 0.07 -0.65 1.63 -0.00 0.00 0.00 178.44 179.51 3kem n LYS 152 N -4.51 0.83 -1.93 0.49 5.02 -0.58 -4.99 118.16 112.50 3kem n LYS 152 Ca 0.00 -0.66 -0.41 0.00 -2.02 0.00 0.00 58.31 55.22 3kem n LYS 152 Cb 0.16 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.67 3kem n LYS 152 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3kem s LEU 153 N -2.64 4.37 -0.11 -0.35 0.20 0.20 -5.01 118.68 115.34 3kem s LEU 153 Ca 0.15 2.79 0.01 0.00 0.69 0.00 0.00 54.13 57.76 3kem s LEU 153 Cb 0.17 -3.63 0.02 0.00 -0.43 0.00 0.00 46.19 42.32 3kem s LEU 153 CO 0.67 -0.77 -0.11 -0.89 -0.29 0.00 0.00 176.35 174.96 3kem s THR 154 N -0.19 1.21 0.51 3.68 2.01 -1.26 -5.03 115.64 116.57 3kem s THR 154 Ca 0.59 -0.44 0.01 0.00 0.31 0.00 0.00 61.69 62.17 3kem s THR 154 Cb -0.44 -1.16 -0.01 0.00 0.01 0.00 0.00 72.50 70.89 3kem s THR 154 CO 0.47 0.39 0.01 0.68 -0.69 0.00 0.00 174.62 175.48 3kem s VAL 155 N 1.32 1.21 -0.09 3.82 -7.23 -1.26 -5.08 120.40 113.09 3kem s VAL 155 Ca -0.01 -1.99 -0.13 0.00 -1.81 0.00 0.00 61.98 58.04 3kem s VAL 155 Cb -0.14 -2.20 -0.28 0.00 0.56 0.00 0.00 36.38 34.32 3kem s VAL 155 CO -0.05 0.00 0.56 0.11 -0.31 0.00 0.00 175.10 175.41 3kem h LYS 156 N 1.35 0.30 -2.29 4.82 1.57 -1.99 -3.44 116.57 116.89 3kem h LYS 156 Ca -0.44 -0.51 -0.45 0.00 -1.87 0.00 0.00 60.65 57.38 3kem h LYS 156 Cb 1.31 0.19 -0.35 0.00 0.08 0.00 0.00 32.23 33.46 3kem h LYS 156 CO 0.74 1.24 -0.74 1.21 -0.57 0.00 0.00 179.45 181.33 3kem s ASN 157 N -7.13 2.12 0.00 0.86 3.84 -1.26 -4.99 114.94 108.38 3kem s ASN 157 Ca -0.19 -1.62 0.09 0.00 0.21 0.00 0.00 52.86 51.35 3kem s ASN 157 Cb 0.05 0.13 0.56 0.00 -0.55 0.00 0.00 41.25 41.44 3kem s ASN 157 CO 0.79 -0.32 1.03 -1.84 -2.79 0.00 0.00 177.10 173.98 3kem n GLU 158 N 4.46 0.55 0.06 0.43 0.28 -1.26 -2.07 120.64 123.08 3kem n GLU 158 Ca 0.07 0.00 -0.01 0.00 -0.16 0.00 0.00 57.16 57.06 3kem n GLU 158 Cb 0.42 -1.27 -0.07 0.00 1.43 0.00 0.00 31.44 31.96 3kem n GLU 158 CO 0.00 0.00 0.00 1.49 -0.16 0.00 0.00 177.13 178.46 3kem h GLU 159 N 0.00 0.00 -2.94 3.44 4.81 -1.94 -3.39 114.58 114.56 3kem h GLU 159 Ca 0.00 0.00 -0.62 0.00 -0.13 0.00 0.00 59.36 58.61 3kem h GLU 159 Cb 0.00 0.00 -0.42 0.00 0.63 0.00 0.00 28.75 28.96 3kem h GLU 159 CO 0.00 0.44 -0.62 1.63 -0.73 0.00 0.00 179.01 179.73 3kem n LYS 160 N -3.04 1.70 -4.18 1.92 5.02 -0.88 -4.91 118.16 113.79 3kem n LYS 160 Ca -0.06 -4.36 -0.16 0.00 -2.02 0.00 0.00 58.31 51.71 3kem n LYS 160 Cb 0.85 -2.21 -0.13 0.00 -0.02 0.00 0.00 35.03 33.52 3kem n LYS 160 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3kem s LEU 161 N -1.38 2.17 0.08 -0.35 0.20 -1.26 -3.07 118.68 115.07 3kem s LEU 161 Ca 0.27 -0.40 -0.03 0.00 0.69 0.00 0.00 54.13 54.66 3kem s LEU 161 Cb -0.02 -0.33 -0.03 0.00 -0.43 0.00 0.00 46.19 45.38 3kem s LEU 161 CO -0.16 -0.06 0.05 -0.94 -0.29 0.00 0.00 176.35 174.95 3kem s SER 162 N -1.06 0.35 0.13 3.68 1.04 -0.90 -1.48 113.70 115.45 3kem s SER 162 Ca -0.03 -0.98 0.02 0.00 0.48 0.00 0.00 55.95 55.44 3kem s SER 162 Cb -0.07 0.26 -0.04 0.00 0.10 0.00 0.00 66.02 66.27 3kem s SER 162 CO 0.01 -0.67 -0.04 0.72 0.98 0.00 0.00 173.24 174.23 3kem s PHE 163 N -3.94 1.02 0.27 5.02 -0.12 -0.18 -0.21 117.98 119.83 3kem s PHE 163 Ca 0.11 -0.95 -0.04 0.00 -0.05 0.00 0.00 56.93 56.01 3kem s PHE 163 Cb 0.07 -0.58 -0.02 0.00 -0.63 0.00 0.00 43.02 41.86 3kem s PHE 163 CO -0.07 -0.17 0.34 -1.64 -0.05 0.00 0.00 175.22 173.63 3kem s MET 164 N -3.86 1.55 0.05 1.99 -1.94 -0.08 -4.51 119.30 112.49 3kem s MET 164 Ca 0.16 -1.60 -0.02 0.00 -1.71 0.00 0.00 55.69 52.52 3kem s MET 164 Cb 0.05 0.38 -0.03 0.00 2.01 0.00 0.00 34.83 37.24 3kem s MET 164 CO -0.01 -0.60 0.01 0.95 -0.01 0.00 0.00 175.02 175.36 3kem s THR 165 N -3.75 0.20 0.60 2.05 -4.23 -1.26 -1.27 115.64 107.98 3kem s THR 165 Ca 0.32 -1.66 -0.18 0.00 -1.18 0.00 0.00 61.69 59.00 3kem s THR 165 Cb 0.02 -1.43 -0.03 0.00 1.34 0.00 0.00 72.50 72.40 3kem s THR 165 CO 0.15 -0.91 1.18 -1.58 -0.54 0.00 0.00 174.62 172.91 3kem s GLN 166 N -3.79 2.99 0.25 3.99 0.74 -0.06 -4.62 119.66 119.17 3kem s GLN 166 Ca 0.06 1.71 0.25 0.00 0.05 0.00 0.00 55.36 57.43 3kem s GLN 166 Cb 0.07 -1.94 0.64 0.00 1.10 0.00 0.00 33.01 32.87 3kem s GLN 166 CO -0.10 -1.16 1.68 1.79 -0.55 0.00 0.00 175.29 176.95 3kem h THR 167 N 0.78 0.00 -0.25 -0.34 1.35 -1.92 -3.35 112.91 109.18 3kem h THR 167 Ca -0.50 -0.61 -0.00 0.00 -0.55 0.00 0.00 66.41 64.75 3kem h THR 167 Cb 1.28 1.56 -0.00 0.00 -1.73 0.00 0.00 68.15 69.26 3kem h THR 167 CO 0.55 0.00 -0.00 0.35 -0.25 0.00 0.00 175.52 176.17 3kem n THR 168 N -2.45 2.28 -1.34 6.82 -2.24 -1.26 -2.62 114.28 113.48 3kem n THR 168 Ca 0.05 -1.91 -0.29 0.00 -2.27 0.00 0.00 64.05 59.62 3kem n THR 168 Cb 0.46 -0.26 0.13 0.00 -2.10 0.00 0.00 70.33 68.56 3kem n THR 168 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3kem s LEU 169 N -2.84 2.21 -0.05 3.22 1.43 -1.26 -4.13 118.68 117.26 3kem s LEU 169 Ca 0.42 1.32 -0.30 0.00 -1.03 0.00 0.00 54.13 54.54 3kem s LEU 169 Cb 0.34 -3.74 -0.04 0.00 0.03 0.00 0.00 46.19 42.78 3kem s LEU 169 CO 0.08 -2.53 1.30 -0.55 0.23 0.00 0.00 176.35 174.89 3kem s SER 170 N -3.63 6.94 0.19 2.29 0.15 -1.26 -4.92 113.70 113.45 3kem s SER 170 Ca 0.63 1.93 -0.12 0.00 0.70 0.00 0.00 55.95 59.08 3kem s SER 170 Cb -0.17 -2.56 0.18 0.00 -1.71 0.00 0.00 66.02 61.77 3kem s SER 170 CO 0.56 -0.68 1.76 0.58 1.20 0.00 0.00 173.24 176.66 3kem h VAL 171 N 5.07 0.85 0.21 4.45 2.07 -1.94 -1.48 116.25 125.49 3kem h VAL 171 Ca -0.35 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 3kem h VAL 171 Cb 1.16 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 3kem h VAL 171 CO 0.90 0.07 -0.10 0.44 0.02 0.00 0.00 177.57 178.90 3kem h ASP 172 N 0.40 -0.24 -0.80 0.57 3.32 -2.00 -2.05 116.42 115.62 3kem h ASP 172 Ca 0.24 -0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 3kem h ASP 172 Cb 0.24 0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.82 3kem h ASP 172 CO -0.23 -0.07 0.39 0.44 -1.72 0.00 0.00 179.24 178.05 3kem h ASP 173 N -0.40 1.04 -0.86 6.45 3.45 -1.95 -2.38 116.42 121.77 3kem h ASP 173 Ca -0.03 -0.13 -0.00 0.00 0.43 0.00 0.00 57.03 57.30 3kem h ASP 173 Cb 0.30 -0.27 -0.04 0.00 -0.56 0.00 0.00 39.33 38.77 3kem h ASP 173 CO 0.05 0.88 0.52 0.74 -1.57 0.00 0.00 179.24 179.86 3kem h THR 174 N 1.13 1.24 -0.90 0.35 2.02 -1.23 -1.43 112.91 114.08 3kem h THR 174 Ca 0.28 -0.51 0.02 0.00 0.77 0.00 0.00 66.41 66.96 3kem h THR 174 Cb 0.11 0.01 -0.05 0.00 -1.74 0.00 0.00 68.15 66.49 3kem h THR 174 CO -0.04 0.25 0.60 -1.28 0.37 0.00 0.00 175.52 175.42 3kem h SER 175 N 1.19 1.02 -0.36 4.18 0.87 -0.86 -0.20 113.55 119.38 3kem h SER 175 Ca 0.31 -0.02 -0.06 0.00 -1.23 0.00 0.00 61.79 60.79 3kem h SER 175 Cb -0.06 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.65 3kem h SER 175 CO -0.06 0.72 -0.01 0.44 -0.53 0.00 0.00 176.83 177.40 3kem h ASP 176 N 1.19 0.63 -0.29 6.23 3.45 -0.96 -1.74 116.42 124.93 3kem h ASP 176 Ca 0.34 -0.31 0.00 0.00 0.43 0.00 0.00 57.03 57.49 3kem h ASP 176 Cb -0.09 -0.17 -0.01 0.00 -0.56 0.00 0.00 39.33 38.50 3kem h ASP 176 CO -0.09 0.79 0.19 0.58 -1.57 0.00 0.00 179.24 179.14 3kem h VAL 177 N 0.45 1.08 -0.29 -1.35 2.07 -0.71 -2.24 116.25 115.26 3kem h VAL 177 Ca 0.10 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.53 3kem h VAL 177 Cb 0.47 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 3kem h VAL 177 CO 0.02 0.07 0.03 0.40 0.02 0.00 0.00 177.57 178.11 3kem h ILE 178 N 0.39 0.83 -0.71 4.57 1.08 -0.93 -0.32 117.51 122.41 3kem h ILE 178 Ca 0.11 -0.04 0.12 0.00 -0.39 0.00 0.00 64.86 64.65 3kem h ILE 178 Cb -0.04 0.69 -0.08 0.00 -3.07 0.00 0.00 36.82 34.32 3kem h ILE 178 CO -0.02 0.02 0.31 0.44 -0.69 0.00 0.00 178.15 178.21 3kem h ASP 179 N 0.12 0.35 -0.54 1.72 3.45 -1.05 0.01 116.42 120.47 3kem h ASP 179 Ca 0.14 0.08 -0.03 0.00 0.43 0.00 0.00 57.03 57.65 3kem h ASP 179 Cb 0.16 0.04 -0.02 0.00 -0.56 0.00 0.00 39.33 38.95 3kem h ASP 179 CO -0.20 0.17 0.21 0.00 -1.57 0.00 0.00 179.24 177.85 3kem h ALA 180 N 1.48 0.71 -0.52 3.45 0.00 -0.75 -1.73 119.26 121.90 3kem h ALA 180 Ca 0.37 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 55.14 3kem h ALA 180 Cb 0.49 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 3kem h ALA 180 CO -0.33 0.33 0.32 -0.07 0.00 0.00 0.00 179.25 179.49 3kem h LEU 181 N 0.74 0.53 -1.07 0.00 3.38 0.34 -0.78 115.31 118.45 3kem h LEU 181 Ca 0.18 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 3kem h LEU 181 Cb 0.21 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3kem h LEU 181 CO -0.01 0.38 -0.45 0.03 0.09 0.00 0.00 178.44 178.48 3kem h ARG 182 N 0.64 0.00 0.03 1.13 3.08 -0.83 0.38 114.38 118.82 3kem h ARG 182 Ca 0.20 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 60.04 3kem h ARG 182 Cb -0.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3kem h ARG 182 CO -0.08 0.45 -0.98 0.87 -1.07 0.00 0.00 179.97 179.16 3kem h LYS 183 N 0.00 0.13 0.19 0.04 1.57 -0.98 -2.86 116.57 114.66 3kem h LYS 183 Ca -0.00 -0.18 -0.34 0.00 -1.87 0.00 0.00 60.65 58.25 3kem h LYS 183 Cb 0.83 0.06 0.01 0.00 0.08 0.00 0.00 32.23 33.21 3kem h LYS 183 CO 0.06 1.01 -1.68 -0.09 -0.57 0.00 0.00 179.45 178.18 3kem h ARG 184 N 0.06 0.40 -2.48 3.15 9.65 -0.96 -3.40 114.38 120.80 3kem h ARG 184 Ca -0.05 -0.69 -0.60 0.00 -1.10 0.00 0.00 59.98 57.54 3kem h ARG 184 Cb 1.68 0.26 -0.41 0.00 -1.39 0.00 0.00 29.97 30.10 3kem h ARG 184 CO 0.14 1.32 -0.71 1.19 2.80 0.00 0.00 179.97 184.71 3kem n PHE 185 N -3.60 2.34 0.21 2.20 3.01 0.13 -4.97 117.46 116.79 3kem n PHE 185 Ca -0.22 -4.01 0.08 0.00 1.01 0.00 0.00 57.45 54.31 3kem n PHE 185 Cb 1.08 -0.44 0.43 0.00 -0.01 0.00 0.00 39.48 40.53 3kem n PHE 185 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 3kem h PRO 186 N 4.73 0.00 -0.20 -1.08 0.13 -1.70 0.12 132.00 134.00 3kem h PRO 186 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3kem h PRO 186 Cb 0.76 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.89 3kem h PRO 186 CO 0.68 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.08 3kem n LYS 187 N -2.24 2.36 -2.02 0.86 4.76 -1.26 -4.98 118.16 115.64 3kem n LYS 187 Ca -0.01 -2.08 -0.39 0.00 -2.87 0.00 0.00 58.31 52.96 3kem n LYS 187 Cb 0.38 -1.48 0.01 0.00 -1.84 0.00 0.00 35.03 32.10 3kem n LYS 187 CO 0.00 0.00 0.00 -1.50 -1.37 0.00 0.00 177.40 174.53 3kem s ILE 188 N -1.71 2.56 0.03 -0.18 2.07 0.42 -4.66 121.20 119.74 3kem s ILE 188 Ca 0.33 0.47 0.09 0.00 -1.41 0.00 0.00 60.65 60.12 3kem s ILE 188 Cb 0.21 -3.26 -0.03 0.00 0.13 0.00 0.00 42.46 39.51 3kem s ILE 188 CO 0.30 0.04 -0.25 -0.69 -1.91 0.00 0.00 174.94 172.43 3kem s VAL 189 N -1.32 2.01 0.00 4.00 1.01 -0.55 -4.98 120.40 120.57 3kem s VAL 189 Ca 0.61 -1.30 0.00 0.00 0.00 0.00 0.00 61.98 61.30 3kem s VAL 189 Cb -0.37 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.30 3kem s VAL 189 CO 0.46 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.54 3kem n GLY 190 N 1.90 2.76 2.60 4.51 0.00 -1.26 -1.02 105.19 114.68 3kem n GLY 190 Ca -0.17 -0.91 -0.22 0.00 0.00 0.00 0.00 46.02 44.72 3kem n GLY 190 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3kem n PRO 191 N 0.00 -2.57 0.11 1.61 -0.04 -1.26 -4.88 135.00 127.97 3kem n PRO 191 Ca 0.00 -1.30 0.05 0.00 -0.04 0.00 0.00 63.50 62.21 3kem n PRO 191 Cb 0.00 -1.21 0.51 0.00 -0.04 0.00 0.00 33.50 32.75 3kem n PRO 191 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kem h ARG 192 N 0.00 0.30 0.00 0.54 3.08 -2.02 -3.42 114.38 112.86 3kem h ARG 192 Ca -0.31 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.72 3kem h ARG 192 Cb 0.93 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.92 3kem h ARG 192 CO 0.20 0.22 0.00 1.17 -1.07 0.00 0.00 179.97 180.49 3kem n LYS 193 N -4.48 0.00 -1.45 0.04 4.81 -1.26 -5.18 118.16 110.64 3kem n LYS 193 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 3kem n LYS 193 Cb 0.09 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.14 3kem n LYS 193 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 3kem n ASP 194 N -1.45 0.00 -0.81 3.14 5.68 -1.26 -5.04 116.55 116.81 3kem n ASP 194 Ca 0.00 -0.94 0.08 0.00 -0.50 0.00 0.00 54.79 53.43 3kem n ASP 194 Cb 0.00 0.00 0.22 0.00 -1.14 0.00 0.00 41.12 40.20 3kem n ASP 194 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3kem n ASP 195 N -1.97 3.56 -4.71 -1.12 10.43 -1.26 -4.83 116.55 116.64 3kem n ASP 195 Ca 0.00 -2.66 -0.42 0.00 2.57 0.00 0.00 54.79 54.28 3kem n ASP 195 Cb 0.00 -0.43 -0.03 0.00 1.84 0.00 0.00 41.12 42.50 3kem n ASP 195 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3kem s ILE 196 N -2.18 3.30 0.82 0.53 -1.09 -1.26 -4.26 121.20 117.05 3kem s ILE 196 Ca 0.35 0.87 -0.11 0.00 -2.23 0.00 0.00 60.65 59.53 3kem s ILE 196 Cb 0.26 -3.56 0.08 0.00 -1.58 0.00 0.00 42.46 37.66 3kem s ILE 196 CO 0.11 0.05 1.09 0.00 -1.23 0.00 0.00 174.94 174.96 3kem h TYR 198 N -1.19 1.14 -0.08 0.00 -0.00 -1.93 -1.79 116.97 113.11 3kem h TYR 198 Ca -0.47 0.03 0.02 0.00 0.00 0.00 0.00 58.73 58.30 3kem h TYR 198 Cb 1.27 -0.38 -0.02 0.00 0.00 0.00 0.00 36.73 37.60 3kem h TYR 198 CO 0.47 0.65 -0.01 0.00 -0.00 0.00 0.00 178.16 179.26 3kem h ALA 199 N 1.39 0.06 -0.25 0.10 0.00 -1.95 0.20 119.26 118.81 3kem h ALA 199 Ca 0.37 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.29 3kem h ALA 199 Cb 0.01 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3kem h ALA 199 CO -0.12 -0.48 0.07 1.15 0.00 0.00 0.00 179.25 179.86 3kem h THR 200 N 0.01 1.20 -0.07 0.00 2.02 -1.78 0.14 112.91 114.43 3kem h THR 200 Ca 0.04 -0.65 0.02 0.00 0.77 0.00 0.00 66.41 66.58 3kem h THR 200 Cb 0.06 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 3kem h THR 200 CO -0.08 0.21 -0.04 0.74 0.37 0.00 0.00 175.52 176.72 3kem h THR 201 N 0.23 0.87 -0.42 3.16 2.02 -1.13 -1.53 112.91 116.10 3kem h THR 201 Ca 0.08 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.26 3kem h THR 201 Cb 0.26 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 3kem h THR 201 CO -0.00 0.00 0.28 0.78 0.37 0.00 0.00 175.52 176.95 3kem h ASN 202 N -0.04 0.49 0.28 4.18 2.35 -0.43 -0.62 115.58 121.79 3kem h ASN 202 Ca 0.04 -0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.72 3kem h ASN 202 Cb 0.10 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 3kem h ASN 202 CO -0.09 0.36 -0.28 0.03 -1.65 0.00 0.00 177.43 175.80 3kem h ARG 203 N 0.57 0.00 -0.05 0.81 3.08 -0.81 0.34 114.38 118.33 3kem h ARG 203 Ca 0.16 -0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.07 3kem h ARG 203 Cb -0.06 -0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.00 3kem h ARG 203 CO -0.03 0.28 -0.51 1.96 -1.07 0.00 0.00 179.97 180.60 3kem h GLN 204 N 0.00 0.44 -0.27 0.04 4.20 -0.94 -1.22 115.11 117.36 3kem h GLN 204 Ca -0.00 -0.40 0.05 0.00 0.06 0.00 0.00 58.65 58.36 3kem h GLN 204 Cb 0.50 0.10 -0.05 0.00 0.30 0.00 0.00 27.48 28.32 3kem h GLN 204 CO 0.04 1.05 -0.06 0.93 -0.67 0.00 0.00 178.83 180.12 3kem h GLU 205 N -0.03 0.01 -0.95 1.46 5.08 -0.66 -1.78 114.58 117.70 3kem h GLU 205 Ca -0.05 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.32 3kem h GLU 205 Cb 1.19 -0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.39 3kem h GLU 205 CO 0.10 0.01 0.63 0.00 -1.00 0.00 0.00 179.01 178.75 3kem h ALA 206 N 1.26 1.22 0.00 3.43 0.00 -0.93 -2.19 119.26 122.05 3kem h ALA 206 Ca 0.13 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.88 3kem h ALA 206 Cb 0.19 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 3kem h ALA 206 CO -0.27 0.59 -0.44 -0.24 0.00 0.00 0.00 179.25 178.89 3kem h VAL 207 N 1.28 1.19 -0.22 0.00 3.04 -0.79 -1.41 116.25 119.33 3kem h VAL 207 Ca 0.35 -1.57 -0.03 0.00 -1.01 0.00 0.00 66.70 64.44 3kem h VAL 207 Cb -0.13 1.88 -0.01 0.00 -2.01 0.00 0.00 31.29 31.02 3kem h VAL 207 CO -0.08 0.43 0.01 -0.09 -1.01 0.00 0.00 177.57 176.83 3kem h ARG 208 N 0.00 0.39 -0.51 4.17 2.43 -0.73 0.08 114.38 120.21 3kem h ARG 208 Ca -0.00 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 59.00 3kem h ARG 208 Cb 0.84 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.33 3kem h ARG 208 CO 0.06 0.56 0.11 0.00 -1.51 0.00 0.00 179.97 179.19 3kem h ALA 209 N 0.81 1.24 0.30 2.80 0.00 -1.26 -2.59 119.26 120.56 3kem h ALA 209 Ca 0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3kem h ALA 209 Cb 0.38 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3kem h ALA 209 CO 0.01 0.52 -0.15 1.25 0.00 0.00 0.00 179.25 180.89 3kem h LEU 210 N 0.75 -0.34 -0.76 0.00 5.85 -0.94 -3.25 115.31 116.61 3kem h LEU 210 Ca 0.16 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.83 3kem h LEU 210 Cb 0.30 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 3kem h LEU 210 CO 0.00 -0.10 0.47 0.00 -0.34 0.00 0.00 178.44 178.47 3kem h ALA 211 N 0.05 1.02 0.00 1.25 0.00 -0.89 -0.49 119.26 120.21 3kem h ALA 211 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3kem h ALA 211 Cb 0.43 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3kem h ALA 211 CO 0.07 0.23 0.00 -0.85 0.00 0.00 0.00 179.25 178.70 3kem n GLU 212 N -4.65 0.11 0.00 0.00 0.28 -0.98 -2.01 120.64 113.37 3kem n GLU 212 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.09 3kem n GLU 212 Cb 0.13 -1.18 0.00 0.00 1.43 0.00 0.00 31.44 31.82 3kem n GLU 212 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 3kem n GLN 213 N -0.68 1.72 -3.99 3.44 7.27 -0.47 -5.08 117.38 119.58 3kem n GLN 213 Ca 0.01 0.00 -0.33 0.00 0.07 0.00 0.00 57.00 56.75 3kem n GLN 213 Cb 0.00 -0.67 -0.06 0.00 2.41 0.00 0.00 30.24 31.93 3kem n GLN 213 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3kem s ALA 214 N -1.24 3.78 0.03 1.69 0.00 -0.32 -4.93 121.76 120.77 3kem s ALA 214 Ca 0.00 -0.82 -0.09 0.00 0.00 0.00 0.00 51.96 51.05 3kem s ALA 214 Cb 0.00 -1.74 -0.31 0.00 0.00 0.00 0.00 23.12 21.07 3kem s ALA 214 CO 0.00 0.72 0.96 0.93 0.00 0.00 0.00 175.76 178.37 3kem h GLU 215 N 3.94 0.39 -6.12 0.00 5.08 -1.61 -3.44 114.58 112.82 3kem h GLU 215 Ca -0.49 -0.66 -0.64 0.00 -1.00 0.00 0.00 59.36 56.57 3kem h GLU 215 Cb 1.18 0.25 -0.30 0.00 0.50 0.00 0.00 28.75 30.38 3kem h GLU 215 CO 0.66 1.30 -0.87 0.08 -1.00 0.00 0.00 179.01 179.18 3kem s VAL 216 N -2.62 1.80 -0.13 3.13 1.01 -1.20 -2.73 120.40 119.67 3kem s VAL 216 Ca -0.09 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 60.94 3kem s VAL 216 Cb 0.06 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 34.95 3kem s VAL 216 CO 0.90 0.51 -0.14 -0.69 0.00 0.00 0.00 175.10 175.67 3kem s VAL 217 N -0.42 1.53 -0.20 2.92 1.01 -0.04 0.14 120.40 125.34 3kem s VAL 217 Ca 0.06 -0.63 -0.07 0.00 0.00 0.00 0.00 61.98 61.34 3kem s VAL 217 Cb -0.10 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 3kem s VAL 217 CO 0.00 0.45 0.06 -0.76 0.00 0.00 0.00 175.10 174.85 3kem s LEU 218 N 1.28 3.66 -0.29 3.92 1.43 0.16 -0.91 118.68 127.92 3kem s LEU 218 Ca 0.00 -0.03 -0.03 0.00 -1.03 0.00 0.00 54.13 53.04 3kem s LEU 218 Cb -0.14 -1.94 0.04 0.00 0.03 0.00 0.00 46.19 44.18 3kem s LEU 218 CO -0.07 0.10 0.01 -0.69 0.23 0.00 0.00 176.35 175.94 3kem s VAL 219 N 0.78 3.24 -0.20 -1.59 1.01 0.12 -1.27 120.40 122.50 3kem s VAL 219 Ca 0.03 -1.15 -0.29 0.00 0.00 0.00 0.00 61.98 60.57 3kem s VAL 219 Cb -0.14 -2.78 -0.01 0.00 0.00 0.00 0.00 36.38 33.46 3kem s VAL 219 CO 0.02 -0.02 1.29 -0.69 0.00 0.00 0.00 175.10 175.71 3kem s VAL 220 N 1.33 4.21 0.00 2.92 1.01 0.15 -1.14 120.40 128.88 3kem s VAL 220 Ca -0.02 1.43 0.00 0.00 0.00 0.00 0.00 61.98 63.39 3kem s VAL 220 Cb -0.19 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.17 3kem s VAL 220 CO -0.01 -0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.47 3kem n GLY 221 N 3.85 1.35 3.88 4.51 0.00 0.00 -0.91 105.19 117.88 3kem n GLY 221 Ca 0.14 -0.71 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 3kem n GLY 221 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kem s SER 222 N 0.00 6.49 0.45 1.61 0.01 -1.26 -3.71 113.70 117.28 3kem s SER 222 Ca 0.00 1.01 0.18 0.00 1.31 0.00 0.00 55.95 58.44 3kem s SER 222 Cb 0.00 -2.27 1.12 0.00 0.21 0.00 0.00 66.02 65.08 3kem s SER 222 CO 0.00 -0.35 1.93 0.11 0.41 0.00 0.00 173.24 175.34 3kem h LYS 223 N 1.33 0.33 -0.53 12.44 1.57 -1.93 -0.93 116.57 128.85 3kem h LYS 223 Ca -0.47 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.29 3kem h LYS 223 Cb 1.19 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.42 3kem h LYS 223 CO 0.64 0.22 0.00 0.27 -0.57 0.00 0.00 179.45 180.01 3kem n ASN 224 N -4.46 2.48 -4.48 0.86 6.94 -1.26 -4.78 115.26 110.56 3kem n ASN 224 Ca 0.14 -2.17 -0.43 0.00 -0.02 0.00 0.00 54.58 52.09 3kem n ASN 224 Cb 0.55 -0.37 -0.07 0.00 -2.36 0.00 0.00 39.78 37.52 3kem n ASN 224 CO 0.00 0.00 0.00 -0.55 -1.03 0.00 0.00 177.26 175.68 3kem s SER 225 N -0.77 6.23 0.11 0.53 0.15 -0.35 -4.89 113.70 114.71 3kem s SER 225 Ca 0.25 -0.69 -0.28 0.00 0.70 0.00 0.00 55.95 55.93 3kem s SER 225 Cb 0.16 -2.27 -0.09 0.00 -1.71 0.00 0.00 66.02 62.11 3kem s SER 225 CO 0.13 -0.73 1.63 -1.28 1.20 0.00 0.00 173.24 174.19 3kem h SER 226 N 8.85 -0.85 -0.64 5.45 0.87 -1.87 -1.61 113.55 123.74 3kem h SER 226 Ca -0.27 0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.39 3kem h SER 226 Cb 1.10 0.32 -0.03 0.00 -0.44 0.00 0.00 62.40 63.35 3kem h SER 226 CO 0.87 -0.40 0.39 -0.55 -0.53 0.00 0.00 176.83 176.62 3kem h ASN 227 N -0.54 0.77 -0.16 6.23 7.08 -1.94 -1.77 115.58 125.24 3kem h ASN 227 Ca 0.02 -0.04 -0.01 0.00 -3.08 0.00 0.00 56.30 53.19 3kem h ASN 227 Cb 0.56 -0.19 -0.01 0.00 -2.08 0.00 0.00 38.32 36.60 3kem h ASN 227 CO -0.15 0.58 0.07 0.28 -2.08 0.00 0.00 177.43 176.13 3kem h SER 228 N 0.89 0.23 -0.73 6.14 0.02 -1.84 -2.33 113.55 115.93 3kem h SER 228 Ca 0.23 -0.16 0.06 0.00 -0.84 0.00 0.00 61.79 61.08 3kem h SER 228 Cb -0.04 -0.06 -0.06 0.00 0.14 0.00 0.00 62.40 62.38 3kem h SER 228 CO -0.05 0.33 0.42 0.78 -1.14 0.00 0.00 176.83 177.17 3kem h ASN 229 N 0.11 0.63 -0.65 3.07 4.21 -0.87 -1.82 115.58 120.27 3kem h ASN 229 Ca 0.05 0.03 0.10 0.00 1.21 0.00 0.00 56.30 57.70 3kem h ASN 229 Cb 0.17 -0.10 -0.08 0.00 -1.12 0.00 0.00 38.32 37.20 3kem h ASN 229 CO -0.00 0.40 0.25 0.03 -1.29 0.00 0.00 177.43 176.82 3kem h ARG 230 N 0.76 0.42 0.08 0.81 -0.00 -1.00 -0.25 114.38 115.21 3kem h ARG 230 Ca 0.32 -0.03 0.01 0.00 -0.50 0.00 0.00 59.98 59.79 3kem h ARG 230 Cb 0.20 -0.10 -0.01 0.00 0.00 0.00 0.00 29.97 30.06 3kem h ARG 230 CO -0.18 0.28 -0.11 -0.07 0.00 0.00 0.00 179.97 179.88 3kem h LEU 231 N 0.43 -0.31 -0.47 3.04 4.07 -0.81 -1.12 115.31 120.15 3kem h LEU 231 Ca 0.33 0.04 0.01 0.00 0.08 0.00 0.00 57.88 58.34 3kem h LEU 231 Cb 0.42 0.11 -0.03 0.00 1.08 0.00 0.00 40.66 42.25 3kem h LEU 231 CO -0.32 -0.17 0.30 0.00 -1.08 0.00 0.00 178.44 177.17 3kem h ALA 232 N 0.66 0.59 -0.64 1.53 0.00 -0.92 -2.68 119.26 117.81 3kem h ALA 232 Ca 0.01 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 3kem h ALA 232 Cb 0.24 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3kem h ALA 232 CO -0.05 0.02 0.06 1.05 0.00 0.00 0.00 179.25 180.33 3kem h GLU 233 N 0.61 1.07 -0.92 0.00 4.11 -0.93 -1.67 114.58 116.85 3kem h GLU 233 Ca 0.17 -0.31 0.02 0.00 0.07 0.00 0.00 59.36 59.32 3kem h GLU 233 Cb -0.05 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.03 3kem h GLU 233 CO -0.05 1.01 0.61 1.25 0.07 0.00 0.00 179.01 181.90 3kem h LEU 234 N 1.00 1.03 -0.15 3.06 6.46 -1.02 0.21 115.31 125.90 3kem h LEU 234 Ca 0.19 -0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.92 3kem h LEU 234 Cb 0.49 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.17 3kem h LEU 234 CO 0.02 0.72 0.06 0.00 -0.62 0.00 0.00 178.44 178.62 3kem h ALA 235 N 1.36 0.19 0.00 1.25 0.00 -1.15 -2.21 119.26 118.70 3kem h ALA 235 Ca 0.36 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 3kem h ALA 235 Cb -0.06 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3kem h ALA 235 CO -0.10 -0.22 -0.10 1.96 0.00 0.00 0.00 179.25 180.79 3kem h GLN 236 N 0.08 0.00 -0.39 0.00 4.20 -0.76 -1.77 115.11 116.47 3kem h GLN 236 Ca 0.05 0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.65 3kem h GLN 236 Cb 0.18 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 3kem h GLN 236 CO -0.00 0.10 -0.22 -0.09 -0.67 0.00 0.00 178.83 177.95 3kem h ARG 237 N 0.00 0.76 -0.52 1.46 9.65 0.00 -2.64 114.38 123.09 3kem h ARG 237 Ca -0.00 -0.30 0.00 0.00 -1.10 0.00 0.00 59.98 58.58 3kem h ARG 237 Cb 0.27 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 28.81 3kem h ARG 237 CO 0.01 0.91 0.00 -1.33 2.80 0.00 0.00 179.97 182.36 3kem n MET 238 N -4.12 1.37 -0.33 0.20 2.81 -0.69 -4.86 117.12 111.51 3kem n MET 238 Ca 0.00 -0.38 0.00 0.00 -1.81 0.00 0.00 57.70 55.51 3kem n MET 238 Cb 0.43 -1.33 0.00 0.00 -0.71 0.00 0.00 33.22 31.60 3kem n MET 238 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3kem n GLY 239 N 0.37 1.50 3.82 3.03 0.00 -1.00 -5.01 105.19 107.90 3kem n GLY 239 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 3kem n GLY 239 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kem s LYS 240 N -0.31 4.23 -0.14 1.61 3.01 -1.06 -4.99 119.74 122.09 3kem s LYS 240 Ca 0.00 0.85 -0.29 0.00 -1.01 0.00 0.00 55.97 55.51 3kem s LYS 240 Cb 0.00 -2.87 -0.02 0.00 -1.01 0.00 0.00 37.83 33.93 3kem s LYS 240 CO 0.00 0.39 1.29 1.03 0.51 0.00 0.00 175.35 178.57 3kem s ARG 241 N -2.00 4.24 0.09 1.68 0.52 -1.10 -3.51 118.95 118.87 3kem s ARG 241 Ca 0.43 1.71 0.10 0.00 -0.52 0.00 0.00 55.73 57.45 3kem s ARG 241 Cb -0.16 -3.75 -0.04 0.00 0.52 0.00 0.00 34.95 31.52 3kem s ARG 241 CO 0.21 -0.68 -0.26 0.00 0.02 0.00 0.00 175.30 174.58 3kem s ALA 242 N 3.36 2.35 -0.02 2.13 0.00 -1.26 -0.86 121.76 127.47 3kem s ALA 242 Ca 0.56 -1.38 0.01 0.00 0.00 0.00 0.00 51.96 51.16 3kem s ALA 242 Cb -0.23 -0.44 0.01 0.00 0.00 0.00 0.00 23.12 22.46 3kem s ALA 242 CO 0.17 0.54 -0.05 -0.06 0.00 0.00 0.00 175.76 176.36 3kem s PHE 243 N -0.96 0.59 -0.38 0.00 0.40 -0.09 -4.96 117.98 112.58 3kem s PHE 243 Ca 0.13 -0.13 -0.15 0.00 -0.60 0.00 0.00 56.93 56.19 3kem s PHE 243 Cb -0.10 -0.47 0.00 0.00 0.51 0.00 0.00 43.02 42.96 3kem s PHE 243 CO 0.05 -0.09 0.32 -1.17 0.70 0.00 0.00 175.22 175.03 3kem s LEU 244 N 0.37 4.74 0.01 -0.37 0.20 -1.26 0.16 118.68 122.52 3kem s LEU 244 Ca -0.04 -0.57 0.06 0.00 0.69 0.00 0.00 54.13 54.27 3kem s LEU 244 Cb -0.08 -2.23 -0.02 0.00 -0.43 0.00 0.00 46.19 43.43 3kem s LEU 244 CO -0.00 -0.38 -0.17 0.27 -0.29 0.00 0.00 176.35 175.77 3kem s ILE 245 N 1.85 1.38 0.17 6.68 -4.36 -0.29 -4.93 121.20 121.69 3kem s ILE 245 Ca 0.08 -0.88 0.08 0.00 -0.26 0.00 0.00 60.65 59.66 3kem s ILE 245 Cb -0.18 -1.18 -0.15 0.00 1.25 0.00 0.00 42.46 42.20 3kem s ILE 245 CO 0.11 0.28 1.38 0.44 0.24 0.00 0.00 174.94 177.39 3kem h ASP 246 N 5.39 0.02 -5.34 4.36 3.32 -1.86 0.05 116.42 122.36 3kem h ASP 246 Ca -0.38 -0.02 0.13 0.00 0.02 0.00 0.00 57.03 56.78 3kem h ASP 246 Cb 1.16 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.67 3kem h ASP 246 CO 0.47 0.90 0.53 1.51 -1.72 0.00 0.00 179.24 180.92 3kem s ASP 247 N -6.77 0.00 0.37 6.45 1.47 -1.26 -4.70 116.67 112.23 3kem s ASP 247 Ca 0.00 -0.75 0.12 0.00 1.18 0.00 0.00 52.55 53.09 3kem s ASP 247 Cb 0.11 0.56 0.91 0.00 -0.34 0.00 0.00 42.92 44.16 3kem s ASP 247 CO 0.81 -1.12 1.85 0.00 0.68 0.00 0.00 175.17 177.39 3kem h ALA 248 N 2.00 1.95 0.00 2.11 0.00 -1.86 -1.69 119.26 121.78 3kem h ALA 248 Ca -0.28 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3kem h ALA 248 Cb 1.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3kem h ALA 248 CO 0.37 -0.22 0.11 0.87 0.00 0.00 0.00 179.25 180.37 3kem h LYS 249 N 0.59 0.00 0.00 0.00 1.57 -1.96 -1.77 116.57 115.01 3kem h LYS 249 Ca 0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.25 3kem h LYS 249 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.21 3kem h LYS 249 CO -0.22 0.00 -0.49 -0.44 -0.57 0.00 0.00 179.45 177.73 3kem h ASP 250 N 0.00 0.00 -3.34 0.86 3.32 -1.72 -3.46 116.42 112.07 3kem h ASP 250 Ca 0.00 -0.08 -0.53 0.00 0.02 0.00 0.00 57.03 56.44 3kem h ASP 250 Cb 0.22 0.00 0.07 0.00 0.22 0.00 0.00 39.33 39.83 3kem h ASP 250 CO 0.00 0.04 0.81 -0.63 -1.72 0.00 0.00 179.24 177.74 3kem s ILE 251 N -3.21 2.45 -0.12 0.35 1.09 -0.67 -5.01 121.20 116.08 3kem s ILE 251 Ca 0.05 0.38 -0.01 0.00 -1.10 0.00 0.00 60.65 59.97 3kem s ILE 251 Cb 0.11 -3.24 -0.02 0.00 -1.06 0.00 0.00 42.46 38.24 3kem s ILE 251 CO 0.71 0.06 -0.09 -1.10 -0.10 0.00 0.00 174.94 174.42 3kem s GLN 252 N -0.36 3.28 0.22 2.79 -1.52 -1.26 -5.01 119.66 117.80 3kem s GLN 252 Ca 0.61 -0.60 -0.10 0.00 -1.95 0.00 0.00 55.36 53.32 3kem s GLN 252 Cb -0.44 -2.70 0.32 0.00 -0.22 0.00 0.00 33.01 29.97 3kem s GLN 252 CO 0.44 0.35 1.67 0.93 -0.25 0.00 0.00 175.29 178.43 3kem h GLU 253 N 6.29 0.13 -1.09 2.91 5.08 -1.99 0.18 114.58 126.09 3kem h GLU 253 Ca -0.34 -0.01 0.31 0.00 -1.00 0.00 0.00 59.36 58.32 3kem h GLU 253 Cb 1.19 -0.03 -0.11 0.00 0.50 0.00 0.00 28.75 30.30 3kem h GLU 253 CO 0.57 0.09 0.68 1.49 -1.00 0.00 0.00 179.01 180.84 3kem h GLU 254 N 0.14 0.34 -0.74 2.33 4.81 -1.97 -1.45 114.58 118.04 3kem h GLU 254 Ca 0.33 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.54 3kem h GLU 254 Cb 0.55 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.81 3kem h GLU 254 CO -0.52 0.22 0.44 -1.49 -0.73 0.00 0.00 179.01 176.93 3kem h TRP 255 N 0.35 0.98 -0.50 0.92 6.55 -1.37 -2.97 115.95 119.90 3kem h TRP 255 Ca 0.67 -0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.50 3kem h TRP 255 Cb 1.71 -0.32 0.00 0.00 -0.86 0.00 0.00 29.16 29.69 3kem h TRP 255 CO -0.00 0.66 0.00 1.33 -1.05 0.00 0.00 178.44 179.38 3kem n VAL 256 N -4.51 1.72 -1.74 1.49 0.24 -0.62 -4.90 118.33 110.00 3kem n VAL 256 Ca 0.07 -1.29 -0.43 0.00 -2.04 0.00 0.00 64.34 60.65 3kem n VAL 256 Cb 0.06 0.14 -0.03 0.00 -1.47 0.00 0.00 33.84 32.54 3kem n VAL 256 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3kem s LYS 257 N -1.83 3.33 -1.01 7.34 2.20 -0.73 -1.93 119.74 127.11 3kem s LYS 257 Ca 0.43 1.92 0.00 0.00 -0.36 0.00 0.00 55.97 57.96 3kem s LYS 257 Cb 0.28 -4.28 0.00 0.00 -1.51 0.00 0.00 37.83 32.32 3kem s LYS 257 CO 0.20 -1.87 0.00 0.39 -0.36 0.00 0.00 175.35 173.71 3kem n GLU 258 N 8.47 -0.67 -3.12 4.03 1.02 -1.26 -5.00 120.64 124.11 3kem n GLU 258 Ca 0.26 0.82 -0.40 0.00 -0.02 0.00 0.00 57.16 57.83 3kem n GLU 258 Cb 0.45 -4.73 -0.05 0.00 -0.02 0.00 0.00 31.44 27.08 3kem n GLU 258 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3kem s VAL 259 N -2.36 5.05 -0.74 2.62 1.01 -0.81 -4.95 120.40 120.22 3kem s VAL 259 Ca 0.00 1.24 0.25 0.00 0.00 0.00 0.00 61.98 63.48 3kem s VAL 259 Cb 0.00 -3.96 0.14 0.00 0.00 0.00 0.00 36.38 32.56 3kem s VAL 259 CO 0.00 0.18 1.53 0.29 0.00 0.00 0.00 175.10 177.10 3kem n LYS 260 N 4.51 0.23 -3.60 2.72 5.02 -1.26 -4.57 118.16 121.20 3kem n LYS 260 Ca -0.02 0.11 -0.07 0.00 -2.02 0.00 0.00 58.31 56.31 3kem n LYS 260 Cb 0.50 -1.69 -0.08 0.00 -0.02 0.00 0.00 35.03 33.74 3kem n LYS 260 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kem s VAL 262 N 2.66 2.40 -0.04 0.00 0.11 0.13 -1.78 120.40 123.89 3kem s VAL 262 Ca 0.00 -0.93 -0.01 0.00 -2.93 0.00 0.00 61.98 58.11 3kem s VAL 262 Cb -0.12 -1.92 -0.04 0.00 -1.53 0.00 0.00 36.38 32.77 3kem s VAL 262 CO -0.14 0.56 0.06 -0.83 -3.33 0.00 0.00 175.10 171.42 3kem s GLY 263 N -0.07 1.98 -0.04 6.54 0.00 0.38 -1.83 107.32 114.28 3kem s GLY 263 Ca -0.05 -0.84 0.02 0.00 0.00 0.00 0.00 44.72 43.85 3kem s GLY 263 CO 0.04 -0.67 -0.10 0.54 0.00 0.00 0.00 173.10 172.91 3kem s VAL 264 N -1.10 0.89 0.27 1.40 0.11 -0.55 0.36 120.40 121.79 3kem s VAL 264 Ca 0.20 -0.38 -0.00 0.00 -2.93 0.00 0.00 61.98 58.86 3kem s VAL 264 Cb -0.12 -0.81 -0.03 0.00 -1.53 0.00 0.00 36.38 33.89 3kem s VAL 264 CO 0.10 0.29 0.28 0.28 -3.33 0.00 0.00 175.10 172.71 3kem s THR 265 N 0.44 0.00 -0.00 5.04 -1.32 -0.39 -1.81 115.64 117.59 3kem s THR 265 Ca -0.08 -1.86 -0.01 0.00 -1.21 0.00 0.00 61.69 58.53 3kem s THR 265 Cb -0.12 -2.49 -0.00 0.00 -1.51 0.00 0.00 72.50 68.37 3kem s THR 265 CO 0.01 0.00 0.02 0.00 -2.21 0.00 0.00 174.62 172.44 3kem s ALA 266 N -3.73 -0.03 1.03 11.08 0.00 -1.26 -0.67 121.76 128.18 3kem s ALA 266 Ca 0.36 -0.15 -0.12 0.00 0.00 0.00 0.00 51.96 52.05 3kem s ALA 266 Cb 0.03 0.03 0.21 0.00 0.00 0.00 0.00 23.12 23.39 3kem s ALA 266 CO 0.18 -0.07 1.08 0.20 0.00 0.00 0.00 175.76 177.15 3kem s GLY 267 N -0.54 1.57 0.08 0.00 0.00 -0.08 -0.91 107.32 107.43 3kem s GLY 267 Ca -0.06 -0.25 0.12 0.00 0.00 0.00 0.00 44.72 44.53 3kem s GLY 267 CO -0.00 0.37 1.38 0.00 0.00 0.00 0.00 173.10 174.85 3kem n ALA 268 N -4.34 1.38 0.04 3.20 0.00 -1.25 -2.38 120.51 117.16 3kem n ALA 268 Ca 0.05 0.02 0.06 0.00 0.00 0.00 0.00 53.44 53.57 3kem n ALA 268 Cb 0.56 -1.19 0.13 0.00 0.00 0.00 0.00 19.45 18.95 3kem n ALA 268 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3kem n SER 269 N -1.71 2.67 -4.55 0.00 3.41 -1.26 -2.89 113.62 109.29 3kem n SER 269 Ca 0.02 -1.83 -0.38 0.00 -0.26 0.00 0.00 58.87 56.41 3kem n SER 269 Cb 0.11 -0.17 -0.11 0.00 -0.26 0.00 0.00 64.21 63.78 3kem n SER 269 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kem s ALA 270 N -1.00 3.47 0.55 7.33 0.00 -1.00 -4.64 121.76 126.47 3kem s ALA 270 Ca 0.21 -1.18 -0.21 0.00 0.00 0.00 0.00 51.96 50.78 3kem s ALA 270 Cb 0.12 -2.48 -0.05 0.00 0.00 0.00 0.00 23.12 20.72 3kem s ALA 270 CO 0.16 -0.66 1.35 -2.14 0.00 0.00 0.00 175.76 174.47 3kem s PRO 271 N 1.73 3.10 0.51 0.00 0.02 -1.26 -3.85 135.00 135.24 3kem s PRO 271 Ca 0.07 2.22 0.15 0.00 0.02 0.00 0.00 61.00 63.46 3kem s PRO 271 Cb -0.16 -2.22 1.23 0.00 0.02 0.00 0.00 34.50 33.37 3kem s PRO 271 CO 0.10 -1.22 2.14 0.22 -0.33 0.00 0.00 177.00 177.91 3kem h ASP 272 N 1.38 0.03 -0.73 2.53 1.82 -1.98 -1.71 116.42 117.77 3kem h ASP 272 Ca -0.51 -0.00 0.04 0.00 -0.39 0.00 0.00 57.03 56.17 3kem h ASP 272 Cb 1.30 -0.01 -0.04 0.00 0.68 0.00 0.00 39.33 41.26 3kem h ASP 272 CO 0.57 0.03 0.48 -0.29 -1.61 0.00 0.00 179.24 178.42 3kem h ILE 273 N 0.04 1.08 -0.65 2.25 -0.00 -1.99 0.17 117.51 118.41 3kem h ILE 273 Ca 0.01 -0.29 -0.04 0.00 -0.00 0.00 0.00 64.86 64.54 3kem h ILE 273 Cb 0.01 0.16 -0.03 0.00 -0.00 0.00 0.00 36.82 36.96 3kem h ILE 273 CO -0.00 0.15 0.24 -0.07 -0.00 0.00 0.00 178.15 178.48 3kem h LEU 274 N 0.85 0.88 -0.22 2.19 3.38 -1.67 -1.71 115.31 119.00 3kem h LEU 274 Ca 0.30 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 3kem h LEU 274 Cb 0.12 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3kem h LEU 274 CO -0.09 0.80 -0.04 0.58 0.09 0.00 0.00 178.44 179.78 3kem h VAL 275 N 0.94 1.28 -0.78 1.22 2.07 -1.10 -2.12 116.25 117.75 3kem h VAL 275 Ca 0.22 -1.02 0.13 0.00 0.82 0.00 0.00 66.70 66.85 3kem h VAL 275 Cb 0.21 1.50 -0.09 0.00 -1.52 0.00 0.00 31.29 31.38 3kem h VAL 275 CO -0.02 0.31 0.36 1.56 0.02 0.00 0.00 177.57 179.81 3kem h GLN 276 N 0.16 0.52 0.00 1.57 1.08 -0.59 0.13 115.11 117.98 3kem h GLN 276 Ca 0.06 -0.03 -0.10 0.00 -1.45 0.00 0.00 58.65 57.13 3kem h GLN 276 Cb 0.49 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 3kem h GLN 276 CO 0.02 0.35 -0.46 -0.91 -0.95 0.00 0.00 178.83 176.88 3kem h ASN 277 N 0.54 0.00 -0.43 1.46 -0.26 -1.21 -2.22 115.58 113.45 3kem h ASN 277 Ca 0.42 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 56.09 3kem h ASN 277 Cb 0.59 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.83 3kem h ASN 277 CO -0.36 0.46 -0.02 0.58 -1.06 0.00 0.00 177.43 177.03 3kem h VAL 278 N 0.00 1.26 -0.47 2.81 2.07 -0.11 -1.05 116.25 120.76 3kem h VAL 278 Ca -0.00 -1.06 -0.08 0.00 0.82 0.00 0.00 66.70 66.38 3kem h VAL 278 Cb 0.85 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 3kem h VAL 278 CO 0.06 0.36 -0.02 0.58 0.02 0.00 0.00 177.57 178.57 3kem h VAL 279 N 0.61 1.24 -0.29 2.57 2.07 -1.00 -1.18 116.25 120.28 3kem h VAL 279 Ca 0.12 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 3kem h VAL 279 Cb 0.51 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3kem h VAL 279 CO 0.03 0.36 0.12 0.00 0.02 0.00 0.00 177.57 178.09 3kem h ALA 280 N 1.24 0.37 -0.71 1.67 0.00 -1.05 -0.04 119.26 120.74 3kem h ALA 280 Ca 0.14 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3kem h ALA 280 Cb 0.48 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3kem h ALA 280 CO 0.02 -0.04 0.22 -0.09 0.00 0.00 0.00 179.25 179.37 3kem h ARG 281 N 0.31 1.09 -0.27 0.00 9.65 -1.00 -0.89 114.38 123.27 3kem h ARG 281 Ca 0.10 -0.23 -0.08 0.00 -1.10 0.00 0.00 59.98 58.67 3kem h ARG 281 Cb 0.17 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.58 3kem h ARG 281 CO -0.01 0.93 -0.18 -0.07 2.80 0.00 0.00 179.97 183.44 3kem h LEU 282 N 1.05 0.47 -0.17 3.80 3.38 -0.92 -2.50 115.31 120.42 3kem h LEU 282 Ca 0.23 -0.14 -0.20 0.00 0.09 0.00 0.00 57.88 57.86 3kem h LEU 282 Cb 0.29 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3kem h LEU 282 CO -0.01 0.67 -0.94 1.56 0.09 0.00 0.00 178.44 179.81 3kem h GLN 283 N 0.44 0.10 -0.24 1.13 4.20 -0.65 0.30 115.11 120.40 3kem h GLN 283 Ca 0.07 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3kem h GLN 283 Cb 0.57 0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.39 3kem h GLN 283 CO 0.04 0.97 0.00 0.00 -0.67 0.00 0.00 178.83 179.16 3kem n GLN 284 N -3.53 1.34 -0.03 1.46 10.64 -0.37 -2.06 117.38 124.83 3kem n GLN 284 Ca -0.02 -0.46 0.01 0.00 -1.83 0.00 0.00 57.00 54.69 3kem n GLN 284 Cb 0.87 -1.17 0.01 0.00 -0.86 0.00 0.00 30.24 29.09 3kem n GLN 284 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 3kem n LEU 285 N -0.10 1.35 0.00 2.61 7.94 -0.94 -5.00 117.00 122.86 3kem n LEU 285 Ca 0.04 -1.46 0.00 0.00 -1.11 0.00 0.00 56.01 53.48 3kem n LEU 285 Cb 0.15 -0.04 0.00 0.00 0.53 0.00 0.00 43.42 44.06 3kem n LEU 285 CO 0.03 0.36 0.00 0.61 -1.11 0.00 0.00 177.39 177.28 3kem n GLY 286 N -0.41 1.49 3.48 -3.96 0.00 -0.87 -5.01 105.19 99.91 3kem n GLY 286 Ca 0.01 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.22 3kem n GLY 286 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kem n GLY 287 N 0.00 -1.41 0.00 -0.02 0.00 0.10 -3.81 105.19 100.05 3kem n GLY 287 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3kem n GLY 287 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kem n GLY 288 N 1.61 1.99 3.54 -0.02 0.00 0.36 -4.37 105.19 108.30 3kem n GLY 288 Ca 0.11 -2.13 -0.38 0.00 0.00 0.00 0.00 46.02 43.62 3kem n GLY 288 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3kem n GLU 289 N -0.91 0.71 -2.82 1.61 2.13 -1.26 -4.52 120.64 115.59 3kem n GLU 289 Ca 0.00 0.28 -0.41 0.00 0.66 0.00 0.00 57.16 57.68 3kem n GLU 289 Cb 0.00 -1.94 -0.03 0.00 0.27 0.00 0.00 31.44 29.74 3kem n GLU 289 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3kem s ALA 290 N -1.60 3.28 -0.28 4.31 0.00 -1.26 -4.25 121.76 121.95 3kem s ALA 290 Ca 0.72 0.36 -0.05 0.00 0.00 0.00 0.00 51.96 52.98 3kem s ALA 290 Cb -0.44 -3.23 0.01 0.00 0.00 0.00 0.00 23.12 19.46 3kem s ALA 290 CO 0.51 -0.29 0.04 0.42 0.00 0.00 0.00 175.76 176.44 3kem s ILE 291 N 1.19 3.66 -0.05 0.00 1.09 -0.05 -4.99 121.20 122.06 3kem s ILE 291 Ca 0.46 -0.80 -0.30 0.00 -1.10 0.00 0.00 60.65 58.91 3kem s ILE 291 Cb -0.19 -2.89 -0.03 0.00 -1.06 0.00 0.00 42.46 38.29 3kem s ILE 291 CO 0.22 0.10 1.06 -2.84 -0.10 0.00 0.00 174.94 173.38 3kem s PRO 292 N 1.45 4.45 0.54 2.79 0.02 -1.26 -1.07 135.00 141.91 3kem s PRO 292 Ca 0.02 1.50 -0.18 0.00 0.02 0.00 0.00 61.00 62.36 3kem s PRO 292 Cb -0.17 -3.50 -0.06 0.00 0.02 0.00 0.00 34.50 30.79 3kem s PRO 292 CO 0.01 -0.26 1.05 -0.51 -0.33 0.00 0.00 177.00 176.96 3kem s LEU 293 N 1.67 3.66 0.42 -5.54 1.43 -0.22 -4.90 118.68 115.19 3kem s LEU 293 Ca 0.52 1.87 -0.24 0.00 -1.03 0.00 0.00 54.13 55.25 3kem s LEU 293 Cb -0.22 -4.55 -0.08 0.00 0.03 0.00 0.00 46.19 41.38 3kem s LEU 293 CO 0.23 -0.98 1.17 -1.61 0.23 0.00 0.00 176.35 175.38 3kem s GLU 294 N -3.68 3.96 0.29 1.70 2.02 -1.26 -4.43 118.70 117.30 3kem s GLU 294 Ca 0.65 1.81 -0.14 0.00 0.02 0.00 0.00 54.97 57.31 3kem s GLU 294 Cb -0.16 -2.59 0.01 0.00 0.10 0.00 0.00 34.13 31.50 3kem s GLU 294 CO 0.29 -0.39 0.60 0.20 0.02 0.00 0.00 175.26 175.98 3kem s GLY 295 N -1.22 0.47 0.26 -1.39 0.00 -1.26 -4.78 107.32 99.41 3kem s GLY 295 Ca 0.59 -0.79 -0.31 0.00 0.00 0.00 0.00 44.72 44.22 3kem s GLY 295 CO 0.37 -0.48 1.43 -2.13 0.00 0.00 0.00 173.10 172.29 3kem n ARG 296 N -0.45 2.18 -3.03 2.90 3.00 -1.25 -4.88 116.66 115.13 3kem n ARG 296 Ca -0.03 0.78 -0.39 0.00 -0.00 0.00 0.00 57.85 58.20 3kem n ARG 296 Cb 0.61 -2.45 -0.06 0.00 0.00 0.00 0.00 32.46 30.56 3kem n ARG 296 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 3kem s GLU 297 N -0.63 4.50 -0.08 -0.14 2.12 -1.26 -4.30 118.70 118.92 3kem s GLU 297 Ca 0.66 1.08 0.04 0.00 0.36 0.00 0.00 54.97 57.11 3kem s GLU 297 Cb -0.61 -3.27 -0.01 0.00 0.26 0.00 0.00 34.13 30.50 3kem s GLU 297 CO 0.51 0.55 -0.22 -1.21 -0.54 0.00 0.00 175.26 174.35 3kem s GLU 298 N -1.00 2.81 0.00 4.30 2.02 -1.26 -5.00 118.70 120.57 3kem s GLU 298 Ca 0.35 -0.84 0.00 0.00 0.02 0.00 0.00 54.97 54.50 3kem s GLU 298 Cb -0.22 -2.30 0.00 0.00 0.10 0.00 0.00 34.13 31.71 3kem s GLU 298 CO 0.25 0.33 0.66 0.27 0.02 0.00 0.00 175.26 176.78 3kem n ASN 299 N 3.12 0.80 -4.72 -0.19 0.23 -1.26 -5.07 115.26 108.18 3kem n ASN 299 Ca -0.18 -1.38 -0.42 0.00 -0.53 0.00 0.00 54.58 52.08 3kem n ASN 299 Cb 0.52 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.19 3kem n ASN 299 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 3kem s ILE 300 N -0.38 4.79 -0.04 1.53 1.01 -1.26 -5.05 121.20 121.81 3kem s ILE 300 Ca 0.00 2.02 0.02 0.00 0.00 0.00 0.00 60.65 62.70 3kem s ILE 300 Cb 0.00 -4.30 0.01 0.00 0.01 0.00 0.00 42.46 38.17 3kem s ILE 300 CO 0.00 0.20 -0.10 -0.69 0.00 0.00 0.00 174.94 174.35 3kem s VAL 301 N 0.75 0.88 -0.27 2.92 1.01 -1.26 -4.56 120.40 119.88 3kem s VAL 301 Ca 0.50 -0.39 -0.05 0.00 0.00 0.00 0.00 61.98 62.04 3kem s VAL 301 Cb -0.21 -0.80 0.01 0.00 0.00 0.00 0.00 36.38 35.38 3kem s VAL 301 CO 0.28 0.28 0.02 -0.36 0.00 0.00 0.00 175.10 175.32 3kem s PHE 302 N 0.35 3.09 0.45 5.22 2.99 -1.26 -5.10 117.98 123.72 3kem s PHE 302 Ca -0.06 -1.09 -0.21 0.00 0.00 0.00 0.00 56.93 55.57 3kem s PHE 302 Cb -0.11 -2.18 -0.10 0.00 0.00 0.00 0.00 43.02 40.63 3kem s PHE 302 CO 0.01 -0.60 0.99 -1.21 -0.00 0.00 0.00 175.22 174.41 3kem s GLU 303 N 1.46 4.07 0.57 0.44 2.02 -1.26 -4.51 118.70 121.50 3kem s GLU 303 Ca 0.03 1.22 -0.18 0.00 0.02 0.00 0.00 54.97 56.06 3kem s GLU 303 Cb -0.16 -2.17 -0.04 0.00 0.10 0.00 0.00 34.13 31.86 3kem s GLU 303 CO -0.00 -0.18 1.12 0.08 0.02 0.00 0.00 175.26 176.31 3kem s VAL 304 N -2.08 3.18 0.42 2.63 1.01 -1.26 -4.95 120.40 119.35 3kem s VAL 304 Ca 0.64 0.68 -0.25 0.00 0.00 0.00 0.00 61.98 63.05 3kem s VAL 304 Cb -0.12 -3.24 -0.10 0.00 0.00 0.00 0.00 36.38 32.92 3kem s VAL 304 CO 0.16 -0.21 1.20 -0.81 0.00 0.00 0.00 175.10 175.43 3kem n PRO 305 N -1.61 1.75 -0.34 2.72 -0.04 -1.26 -4.83 135.00 131.39 3kem n PRO 305 Ca 0.11 0.62 0.20 0.00 -0.04 0.00 0.00 63.50 64.39 3kem n PRO 305 Cb 0.51 -2.28 0.43 0.00 -0.04 0.00 0.00 33.50 32.12 3kem n PRO 305 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 3kem h LYS 306 N 1.93 0.50 -0.00 0.54 2.10 -1.99 0.33 116.57 119.97 3kem h LYS 306 Ca -0.47 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 3kem h LYS 306 Cb 1.31 -0.11 -0.00 0.00 -0.90 0.00 0.00 32.23 32.52 3kem h LYS 306 CO 0.59 0.33 0.00 0.93 -2.00 0.00 0.00 179.45 179.30 3kem h GLU 307 N 0.51 0.00 -0.74 0.07 3.07 -2.04 -2.73 114.58 112.72 3kem h GLU 307 Ca 0.64 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.50 3kem h GLU 307 Cb 1.34 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.25 3kem h GLU 307 CO -0.44 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.45 3kem n LEU 308 N -4.36 4.09 -0.10 1.33 4.77 0.10 -5.08 117.00 117.75 3kem n LEU 308 Ca -0.03 -2.05 0.16 0.00 -0.03 0.00 0.00 56.01 54.06 3kem n LEU 308 Cb 0.09 -0.51 0.86 0.00 -2.33 0.00 0.00 43.42 41.54 3kem n LEU 308 CO 0.32 0.98 1.06 -2.11 -1.33 0.00 0.00 177.39 176.31