#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 4.60 -0.25 2.12 0.74 -0.31 -1.57 119.66 124.99 3kem s GLN 2 Ca 0.00 1.21 -0.04 0.00 0.05 0.00 0.00 55.36 56.57 3kem s GLN 2 Cb 0.00 -3.30 0.01 0.00 1.10 0.00 0.00 33.01 30.82 3kem s GLN 2 CO 0.00 0.46 -0.00 0.42 -0.55 0.00 0.00 175.29 175.62 3kem s ILE 3 N -0.79 3.48 -0.01 -2.34 1.01 -1.26 -1.54 121.20 119.75 3kem s ILE 3 Ca 0.38 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 60.35 3kem s ILE 3 Cb -0.23 -2.71 -0.04 0.00 0.01 0.00 0.00 42.46 39.50 3kem s ILE 3 CO 0.27 0.24 0.02 -0.76 0.00 0.00 0.00 174.94 174.70 3kem s LEU 4 N 1.45 3.59 -0.15 2.97 1.02 -0.42 0.38 118.68 127.52 3kem s LEU 4 Ca 0.03 0.04 0.02 0.00 0.02 0.00 0.00 54.13 54.24 3kem s LEU 4 Cb -0.16 -2.04 0.01 0.00 0.02 0.00 0.00 46.19 44.02 3kem s LEU 4 CO -0.01 0.29 -0.21 -0.76 0.02 0.00 0.00 176.35 175.67 3kem s LEU 5 N -1.51 2.10 0.51 1.79 1.02 0.26 -0.35 118.68 122.49 3kem s LEU 5 Ca 0.19 -0.61 -0.22 0.00 0.02 0.00 0.00 54.13 53.52 3kem s LEU 5 Cb -0.12 -1.44 -0.06 0.00 0.02 0.00 0.00 46.19 44.60 3kem s LEU 5 CO 0.10 0.06 1.23 0.00 0.02 0.00 0.00 176.35 177.77 3kem s ALA 6 N 0.92 2.84 -0.06 4.21 0.00 -0.57 -1.25 121.76 127.85 3kem s ALA 6 Ca -0.05 1.07 -0.02 0.00 0.00 0.00 0.00 51.96 52.97 3kem s ALA 6 Cb -0.15 -3.45 0.03 0.00 0.00 0.00 0.00 23.12 19.55 3kem s ALA 6 CO -0.04 -0.98 0.06 1.21 0.00 0.00 0.00 175.76 176.01 3kem s ASN 7 N -1.28 1.31 0.78 0.00 3.04 -1.26 -4.06 114.94 113.47 3kem s ASN 7 Ca 0.69 -0.01 -0.10 0.00 0.04 0.00 0.00 52.86 53.48 3kem s ASN 7 Cb -0.33 -0.18 0.09 0.00 -1.54 0.00 0.00 41.25 39.30 3kem s ASN 7 CO 0.38 -0.26 1.12 -2.16 -3.04 0.00 0.00 177.10 173.14 3kem s PRO 8 N 2.15 1.85 0.24 0.43 0.04 -1.26 -4.19 135.00 134.26 3kem s PRO 8 Ca 0.05 -0.21 -0.19 0.00 0.04 0.00 0.00 61.00 60.69 3kem s PRO 8 Cb -0.12 -2.06 0.02 0.00 0.04 0.00 0.00 34.50 32.38 3kem s PRO 8 CO -0.04 -1.55 0.62 -0.98 0.04 0.00 0.00 177.00 175.09 3kem s ARG 9 N -5.45 1.59 2.80 4.56 1.70 -1.26 -4.60 118.95 118.28 3kem s ARG 9 Ca 0.63 -0.93 0.00 0.00 -0.47 0.00 0.00 55.73 54.96 3kem s ARG 9 Cb -0.09 0.56 0.00 0.00 -0.57 0.00 0.00 34.95 34.85 3kem s ARG 9 CO 0.47 -0.70 0.00 0.41 -1.08 0.00 0.00 175.30 174.40 3kem n GLY 10 N -0.41 -0.29 3.20 3.88 0.00 -0.20 -4.91 105.19 106.46 3kem n GLY 10 Ca -0.07 -1.04 -0.54 0.00 0.00 0.00 0.00 46.02 44.37 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 0.64 -3.30 1.61 3.01 -1.23 -3.75 117.46 114.43 3kem n PHE 11 Ca 0.00 0.97 -0.20 0.00 1.01 0.00 0.00 57.45 59.23 3kem n PHE 11 Cb 0.00 -1.91 0.01 0.00 -0.01 0.00 0.00 39.48 37.57 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 0.61 1.02 -0.16 0.00 0.00 -1.93 -2.33 119.26 116.46 3kem h ALA 13 Ca -0.37 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.29 3kem h ALA 13 Cb 1.28 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3kem h ALA 13 CO 0.49 0.63 0.08 0.78 0.00 0.00 0.00 179.25 181.23 3kem h GLY 14 N 1.04 0.24 0.93 0.00 0.00 -1.95 -2.11 103.07 101.23 3kem h GLY 14 Ca 0.20 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 3kem h GLY 14 CO 0.01 0.12 0.12 -2.08 0.00 0.00 0.00 176.54 174.71 3kem h VAL 15 N 0.13 1.14 -0.82 4.60 2.07 -1.83 -0.88 116.25 120.66 3kem h VAL 15 Ca 0.05 -0.39 0.08 0.00 0.82 0.00 0.00 66.70 67.26 3kem h VAL 15 Cb 0.12 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 3kem h VAL 15 CO -0.01 0.14 0.54 -0.78 0.02 0.00 0.00 177.57 177.48 3kem h ASP 16 N 0.28 0.76 0.02 0.57 1.82 -1.38 -1.96 116.42 116.53 3kem h ASP 16 Ca 0.09 0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.74 3kem h ASP 16 Cb 0.11 -0.15 0.00 0.00 0.68 0.00 0.00 39.33 39.96 3kem h ASP 16 CO -0.01 0.48 -0.01 -0.09 -1.61 0.00 0.00 179.24 178.00 3kem h ARG 17 N 0.86 -0.02 -0.73 0.28 2.43 -1.00 -2.69 114.38 113.51 3kem h ARG 17 Ca 0.36 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.63 3kem h ARG 17 Cb 0.30 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.78 3kem h ARG 17 CO -0.14 0.57 0.36 0.00 -1.51 0.00 0.00 179.97 179.26 3kem h ALA 18 N 0.34 1.02 -0.11 2.80 0.00 -0.91 0.60 119.26 122.99 3kem h ALA 18 Ca -0.00 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3kem h ALA 18 Cb 0.60 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.34 3kem h ALA 18 CO 0.00 -0.05 0.02 0.82 0.00 0.00 0.00 179.25 180.05 3kem h ILE 19 N 0.60 1.20 0.00 0.00 2.04 -1.45 -2.38 117.51 117.53 3kem h ILE 19 Ca 0.37 -0.63 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 3kem h ILE 19 Cb 0.41 1.41 -0.00 0.00 -0.74 0.00 0.00 36.82 37.90 3kem h ILE 19 CO -0.28 0.18 -0.00 0.28 0.00 0.00 0.00 178.15 178.33 3kem h SER 20 N -0.03 0.00 -0.12 1.72 0.02 -1.04 -0.13 113.55 113.98 3kem h SER 20 Ca 0.03 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.96 3kem h SER 20 Cb 0.27 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 3kem h SER 20 CO 0.00 0.00 -0.03 0.40 -1.14 0.00 0.00 176.83 176.06 3kem h ILE 21 N 0.00 1.29 -0.26 3.27 2.04 -0.45 -0.09 117.51 123.32 3kem h ILE 21 Ca -0.00 -0.99 -0.04 0.00 1.00 0.00 0.00 64.86 64.84 3kem h ILE 21 Cb 0.00 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 3kem h ILE 21 CO 0.00 0.28 0.01 0.58 0.00 0.00 0.00 178.15 179.02 3kem h VAL 22 N -0.09 1.25 -0.32 1.67 2.07 -0.90 -1.88 116.25 118.05 3kem h VAL 22 Ca 0.03 -0.88 0.02 0.00 0.82 0.00 0.00 66.70 66.69 3kem h VAL 22 Cb 0.46 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 3kem h VAL 22 CO 0.01 0.28 0.17 -0.33 0.02 0.00 0.00 177.57 177.72 3kem h GLU 23 N 0.23 0.33 -0.84 1.57 5.08 -1.05 -1.49 114.58 118.42 3kem h GLU 23 Ca 0.07 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 3kem h GLU 23 Cb 0.40 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 3kem h GLU 23 CO 0.01 0.22 0.38 -0.91 -1.00 0.00 0.00 179.01 177.71 3kem h ASN 24 N 0.34 1.11 -0.54 1.42 4.21 -0.94 -1.60 115.58 119.59 3kem h ASN 24 Ca 0.13 -0.15 -0.06 0.00 1.21 0.00 0.00 56.30 57.44 3kem h ASN 24 Cb 0.04 -0.29 -0.02 0.00 -1.12 0.00 0.00 38.32 36.93 3kem h ASN 24 CO -0.08 0.95 0.11 0.00 -1.29 0.00 0.00 177.43 177.11 3kem h ALA 25 N 1.21 0.71 -0.91 -0.83 0.00 -1.09 0.04 119.26 118.40 3kem h ALA 25 Ca 0.29 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3kem h ALA 25 Cb 0.15 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.69 3kem h ALA 25 CO -0.03 0.43 0.59 -0.07 0.00 0.00 0.00 179.25 180.17 3kem h LEU 26 N 0.76 1.01 -0.71 0.00 3.38 -0.94 0.12 115.31 118.94 3kem h LEU 26 Ca 0.17 -0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.99 3kem h LEU 26 Cb 0.37 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3kem h LEU 26 CO 0.01 0.71 -0.59 0.00 0.09 0.00 0.00 178.44 178.66 3kem h ALA 27 N 1.35 0.91 0.11 1.53 0.00 -0.83 0.40 119.26 122.74 3kem h ALA 27 Ca 0.35 -0.54 -0.26 0.00 0.00 0.00 0.00 54.91 54.46 3kem h ALA 27 Cb -0.07 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 3kem h ALA 27 CO -0.10 0.74 -1.32 0.82 0.00 0.00 0.00 179.25 179.39 3kem h ILE 28 N 0.00 1.09 -0.01 0.00 1.08 -0.52 -3.40 117.51 115.75 3kem h ILE 28 Ca -0.01 -2.41 0.00 0.00 -0.39 0.00 0.00 64.86 62.06 3kem h ILE 28 Cb 1.12 2.76 0.00 0.00 -3.07 0.00 0.00 36.82 37.63 3kem h ILE 28 CO 0.08 0.69 -0.26 -1.22 -0.69 0.00 0.00 178.15 176.75 3kem n TYR 29 N -3.97 0.00 -0.73 1.37 4.01 0.39 -5.09 117.16 113.14 3kem n TYR 29 Ca -0.24 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.60 3kem n TYR 29 Cb 0.88 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.88 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 1.00 -2.25 3.85 2.72 0.00 0.14 -4.89 105.19 105.76 3kem n GLY 30 Ca 0.05 -1.30 -0.31 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.56 3.12 0.62 4.61 0.00 -1.26 -4.50 121.76 121.78 3kem s ALA 31 Ca 0.00 0.05 -0.06 0.00 0.00 0.00 0.00 51.96 51.95 3kem s ALA 31 Cb 0.00 -3.05 0.02 0.00 0.00 0.00 0.00 23.12 20.09 3kem s ALA 31 CO 0.00 -0.33 0.94 -1.25 0.00 0.00 0.00 175.76 175.12 3kem s PRO 32 N -4.35 2.77 -0.13 0.00 0.04 -1.26 -5.15 135.00 126.92 3kem s PRO 32 Ca 0.57 -0.03 -0.03 0.00 0.04 0.00 0.00 61.00 61.55 3kem s PRO 32 Cb -0.10 -2.24 0.05 0.00 0.04 0.00 0.00 34.50 32.25 3kem s PRO 32 CO 0.37 -0.83 0.04 0.42 0.04 0.00 0.00 177.00 177.05 3kem s ILE 33 N -3.06 0.24 0.24 0.56 -1.09 -1.12 -4.73 121.20 112.23 3kem s ILE 33 Ca 0.55 -0.13 -0.28 0.00 -2.23 0.00 0.00 60.65 58.56 3kem s ILE 33 Cb -0.11 -0.65 -0.09 0.00 -1.58 0.00 0.00 42.46 40.03 3kem s ILE 33 CO 0.45 -0.04 0.91 -0.31 -1.23 0.00 0.00 174.94 174.72 3kem s TYR 34 N 2.01 3.92 -0.08 3.97 1.51 -0.33 -1.15 117.35 127.21 3kem s TYR 34 Ca 0.02 1.84 0.00 0.00 -1.01 0.00 0.00 57.07 57.93 3kem s TYR 34 Cb -0.15 -2.93 0.02 0.00 -0.11 0.00 0.00 41.96 38.79 3kem s TYR 34 CO -0.07 0.42 -0.06 0.08 -1.11 0.00 0.00 175.55 174.81 3kem s VAL 35 N -1.26 0.79 -0.50 0.71 1.01 0.03 -0.69 120.40 120.50 3kem s VAL 35 Ca 0.42 -0.20 -0.28 0.00 0.00 0.00 0.00 61.98 61.92 3kem s VAL 35 Cb -0.24 -0.81 0.03 0.00 0.00 0.00 0.00 36.38 35.36 3kem s VAL 35 CO 0.30 0.31 1.08 -0.60 0.00 0.00 0.00 175.10 176.18 3kem s ARG 36 N 1.32 3.61 0.09 2.72 3.52 -0.15 -1.11 118.95 128.95 3kem s ARG 36 Ca -0.04 0.36 0.00 0.00 -0.13 0.00 0.00 55.73 55.92 3kem s ARG 36 Cb -0.14 -3.94 0.00 0.00 -1.56 0.00 0.00 34.95 29.31 3kem s ARG 36 CO -0.03 -1.40 0.00 1.58 -0.81 0.00 0.00 175.30 174.64 3kem n HIS 37 N 7.76 -0.55 -1.65 5.12 -0.00 0.19 -3.07 115.22 123.01 3kem n HIS 37 Ca 0.09 0.30 -0.49 0.00 -0.00 0.00 0.00 57.72 57.63 3kem n HIS 37 Cb 0.49 -0.59 -0.05 0.00 -0.00 0.00 0.00 29.99 29.84 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 -2.18 1.80 -0.31 1.57 1.02 -1.26 -4.69 120.64 116.59 3kem n GLU 38 Ca -0.01 0.65 0.11 0.00 -0.02 0.00 0.00 57.16 57.89 3kem n GLU 38 Cb 0.09 -2.39 0.28 0.00 -0.02 0.00 0.00 31.44 29.41 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 3.82 0.60 -3.70 2.62 3.04 -1.93 -3.42 116.25 117.28 3kem h VAL 39 Ca -0.46 -0.18 -0.13 0.00 -1.01 0.00 0.00 66.70 64.92 3kem h VAL 39 Cb 1.28 0.02 -0.18 0.00 -2.01 0.00 0.00 31.29 30.40 3kem h VAL 39 CO 0.87 0.10 -0.49 0.68 -1.01 0.00 0.00 177.57 177.71 3kem s VAL 40 N -5.91 0.12 -1.33 1.51 -7.23 -1.26 -1.80 120.40 104.51 3kem s VAL 40 Ca -0.12 -0.98 -0.14 0.00 -1.81 0.00 0.00 61.98 58.93 3kem s VAL 40 Cb 0.24 -0.82 -0.03 0.00 0.56 0.00 0.00 36.38 36.33 3kem s VAL 40 CO 0.78 -0.54 2.32 1.41 -0.31 0.00 0.00 175.10 178.76 3kem n HIS 41 N 0.86 2.85 -3.64 2.82 -0.00 -1.26 -4.78 115.22 112.07 3kem n HIS 41 Ca -0.20 -2.72 -0.15 0.00 -0.00 0.00 0.00 57.72 54.66 3kem n HIS 41 Cb 0.58 -2.33 -0.14 0.00 -0.00 0.00 0.00 29.99 28.11 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 3.33 0.55 0.35 0.41 2.47 -1.26 -4.09 114.94 116.71 3kem s ASN 42 Ca 0.53 0.44 0.07 0.00 0.42 0.00 0.00 52.86 54.32 3kem s ASN 42 Cb 0.15 0.57 0.67 0.00 -1.45 0.00 0.00 41.25 41.19 3kem s ASN 42 CO -0.04 -0.25 1.86 0.08 -3.72 0.00 0.00 177.10 175.03 3kem h ARG 43 N 8.31 0.32 -0.08 0.43 0.11 -1.94 -0.33 114.38 121.21 3kem h ARG 43 Ca -0.14 -0.08 -0.01 0.00 0.10 0.00 0.00 59.98 59.84 3kem h ARG 43 Cb 1.12 -0.04 -0.00 0.00 1.11 0.00 0.00 29.97 32.16 3kem h ARG 43 CO 0.15 0.47 0.01 -0.92 0.10 0.00 0.00 179.97 179.78 3kem h TYR 44 N 0.30 0.14 -0.63 4.08 3.20 -1.96 0.48 116.97 122.58 3kem h TYR 44 Ca 0.06 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 3kem h TYR 44 Cb 0.44 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 38.64 3kem h TYR 44 CO 0.01 0.37 0.37 0.28 -1.64 0.00 0.00 178.16 177.54 3kem h VAL 45 N -0.12 1.19 0.07 1.81 2.07 -1.84 -1.53 116.25 117.90 3kem h VAL 45 Ca 0.02 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 3kem h VAL 45 Cb 0.30 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 3kem h VAL 45 CO 0.00 0.20 -0.03 0.58 0.02 0.00 0.00 177.57 178.34 3kem h VAL 46 N 0.86 1.17 -0.98 2.57 2.07 -0.95 -1.83 116.25 119.16 3kem h VAL 46 Ca 0.23 -0.93 0.08 0.00 0.82 0.00 0.00 66.70 66.90 3kem h VAL 46 Cb -0.00 1.77 -0.07 0.00 -1.52 0.00 0.00 31.29 31.47 3kem h VAL 46 CO -0.04 0.23 0.63 0.44 0.02 0.00 0.00 177.57 178.85 3kem h ASP 47 N -0.52 0.98 0.65 0.57 3.45 -0.03 0.81 116.42 122.33 3kem h ASP 47 Ca -0.01 0.02 -0.03 0.00 0.43 0.00 0.00 57.03 57.44 3kem h ASP 47 Cb 0.45 -0.19 0.01 0.00 -0.56 0.00 0.00 39.33 39.04 3kem h ASP 47 CO 0.02 0.60 -0.31 -1.28 -1.57 0.00 0.00 179.24 176.69 3kem h SER 48 N 1.09 -0.74 0.04 6.45 0.87 -1.23 -0.62 113.55 119.41 3kem h SER 48 Ca 0.44 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.99 3kem h SER 48 Cb 0.26 0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.41 3kem h SER 48 CO -0.19 -0.47 -0.04 -0.07 -0.53 0.00 0.00 176.83 175.54 3kem h LEU 49 N -0.98 0.00 -0.70 2.23 3.38 -1.04 0.16 115.31 118.37 3kem h LEU 49 Ca -0.09 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.75 3kem h LEU 49 Cb 0.70 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 3kem h LEU 49 CO 0.15 0.04 -0.40 -0.09 0.09 0.00 0.00 178.44 178.22 3kem h ARG 50 N 0.00 0.54 0.00 1.13 2.43 -0.58 0.40 114.38 118.30 3kem h ARG 50 Ca -0.00 -0.27 -0.06 0.00 -0.81 0.00 0.00 59.98 58.83 3kem h ARG 50 Cb 0.07 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3kem h ARG 50 CO 0.00 0.85 -0.31 0.93 -1.51 0.00 0.00 179.97 179.94 3kem h GLU 51 N 0.45 0.00 -0.31 0.20 5.08 0.61 -2.34 114.58 118.27 3kem h GLU 51 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 3kem h GLU 51 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 3kem h GLU 51 CO 0.08 0.31 0.00 0.54 -1.00 0.00 0.00 179.01 178.94 3kem n ARG 52 N -3.89 1.80 -0.05 2.33 1.74 -0.62 -4.91 116.66 113.05 3kem n ARG 52 Ca -0.02 -1.24 0.00 0.00 -0.77 0.00 0.00 57.85 55.83 3kem n ARG 52 Cb 0.38 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.52 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 1.08 0.82 3.72 -0.13 0.00 -0.88 -4.81 105.19 104.99 3kem n GLY 53 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.03 3.32 -0.33 4.61 0.00 0.07 -2.80 121.76 124.61 3kem s ALA 54 Ca 0.00 0.16 -0.09 0.00 0.00 0.00 0.00 51.96 52.03 3kem s ALA 54 Cb 0.00 -2.99 0.01 0.00 0.00 0.00 0.00 23.12 20.14 3kem s ALA 54 CO 0.00 -0.12 0.14 0.42 0.00 0.00 0.00 175.76 176.21 3kem s ILE 55 N 0.83 4.37 -0.36 0.00 -1.09 -0.30 -4.05 121.20 120.61 3kem s ILE 55 Ca 0.39 -0.66 -0.20 0.00 -2.23 0.00 0.00 60.65 57.94 3kem s ILE 55 Cb -0.18 -3.31 0.00 0.00 -1.58 0.00 0.00 42.46 37.39 3kem s ILE 55 CO 0.19 -0.03 0.62 -0.36 -1.23 0.00 0.00 174.94 174.13 3kem s PHE 56 N 1.55 3.15 0.44 3.97 0.40 -1.26 -0.79 117.98 125.45 3kem s PHE 56 Ca 0.03 0.33 0.06 0.00 -0.60 0.00 0.00 56.93 56.74 3kem s PHE 56 Cb -0.18 -3.12 -0.05 0.00 0.51 0.00 0.00 43.02 40.18 3kem s PHE 56 CO 0.05 -0.62 0.09 0.96 0.70 0.00 0.00 175.22 176.40 3kem s ILE 57 N 2.68 1.87 -0.07 0.64 -5.25 -0.27 -4.88 121.20 115.93 3kem s ILE 57 Ca 0.24 -1.87 0.10 0.00 -0.99 0.00 0.00 60.65 58.12 3kem s ILE 57 Cb -0.15 -2.74 -0.14 0.00 2.95 0.00 0.00 42.46 42.38 3kem s ILE 57 CO 0.15 0.00 0.10 1.21 -1.79 0.00 0.00 174.94 174.61 3kem n GLU 58 N -1.18 1.69 -4.48 0.37 4.07 -1.26 0.54 120.64 120.39 3kem n GLU 58 Ca -0.07 -0.04 -0.27 0.00 -0.06 0.00 0.00 57.16 56.73 3kem n GLU 58 Cb 0.66 -1.26 -0.13 0.00 -0.06 0.00 0.00 31.44 30.65 3kem n GLU 58 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 3kem s GLN 59 N -2.41 1.35 0.49 5.31 -0.21 -1.26 -4.76 119.66 118.16 3kem s GLN 59 Ca -0.05 -1.16 0.21 0.00 0.02 0.00 0.00 55.36 54.39 3kem s GLN 59 Cb 0.04 -1.64 1.26 0.00 1.00 0.00 0.00 33.01 33.67 3kem s GLN 59 CO 0.43 0.40 2.04 0.82 -2.12 0.00 0.00 175.29 176.86 3kem h ILE 60 N 4.10 0.83 0.00 1.08 2.04 -1.95 -1.04 117.51 122.57 3kem h ILE 60 Ca -0.47 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 64.83 3kem h ILE 60 Cb 1.17 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 38.57 3kem h ILE 60 CO 0.41 0.14 0.00 -1.54 0.00 0.00 0.00 178.15 177.16 3kem n SER 61 N -3.97 0.00 -0.50 1.72 3.41 -1.26 -0.72 113.62 112.31 3kem n SER 61 Ca -0.02 -0.43 0.11 0.00 -0.26 0.00 0.00 58.87 58.27 3kem n SER 61 Cb 0.23 -0.02 0.01 0.00 -0.26 0.00 0.00 64.21 64.18 3kem n SER 61 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3kem n GLU 62 N -1.02 1.22 -3.86 4.33 1.02 -0.40 -4.92 120.64 117.02 3kem n GLU 62 Ca 0.11 -1.00 -0.35 0.00 -0.02 0.00 0.00 57.16 55.89 3kem n GLU 62 Cb 0.05 -1.48 -0.08 0.00 -0.02 0.00 0.00 31.44 29.92 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 -2.47 5.24 0.65 2.62 1.01 0.11 -5.05 120.40 122.50 3kem s VAL 63 Ca 0.19 0.12 -0.15 0.00 0.00 0.00 0.00 61.98 62.14 3kem s VAL 63 Cb 0.18 -3.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 3kem s VAL 63 CO 0.57 0.49 1.09 -2.84 0.00 0.00 0.00 175.10 174.41 3kem s PRO 64 N -0.02 2.94 0.49 2.72 0.02 -1.26 -5.00 135.00 134.88 3kem s PRO 64 Ca 0.09 1.30 -0.23 0.00 0.02 0.00 0.00 61.00 62.17 3kem s PRO 64 Cb -0.12 -1.97 -0.07 0.00 0.02 0.00 0.00 34.50 32.36 3kem s PRO 64 CO 0.00 -1.13 1.26 -0.51 -0.33 0.00 0.00 177.00 176.29 3kem s ASP 65 N -2.76 5.84 0.00 2.53 1.01 -1.26 -2.73 116.67 119.30 3kem s ASP 65 Ca 0.65 2.53 0.00 0.00 0.71 0.00 0.00 52.55 56.44 3kem s ASP 65 Cb -0.19 -2.62 0.00 0.00 1.01 0.00 0.00 42.92 41.12 3kem s ASP 65 CO 0.42 -1.16 0.00 0.61 0.21 0.00 0.00 175.17 175.25 3kem n GLY 66 N 0.58 0.34 3.94 0.21 0.00 0.20 -5.01 105.19 105.45 3kem n GLY 66 Ca 0.08 0.00 -0.25 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 -1.73 3.45 -0.14 4.61 0.00 -1.10 -4.85 121.76 122.00 3kem s ALA 67 Ca 0.00 -0.95 -0.14 0.00 0.00 0.00 0.00 51.96 50.87 3kem s ALA 67 Cb 0.00 -2.42 -0.05 0.00 0.00 0.00 0.00 23.12 20.65 3kem s ALA 67 CO 0.00 -0.88 0.30 0.42 0.00 0.00 0.00 175.76 175.60 3kem s ILE 68 N -2.95 5.29 -0.04 0.00 -1.09 -1.26 -2.25 121.20 118.89 3kem s ILE 68 Ca 0.56 0.57 0.05 0.00 -2.23 0.00 0.00 60.65 59.60 3kem s ILE 68 Cb -0.10 -3.63 -0.01 0.00 -1.58 0.00 0.00 42.46 37.14 3kem s ILE 68 CO 0.42 0.42 -0.19 -0.22 -1.23 0.00 0.00 174.94 174.14 3kem s LEU 69 N 0.21 1.97 -0.10 2.97 0.20 0.89 -1.19 118.68 123.64 3kem s LEU 69 Ca 0.17 -0.39 0.04 0.00 0.69 0.00 0.00 54.13 54.64 3kem s LEU 69 Cb -0.13 -1.07 -0.00 0.00 -0.43 0.00 0.00 46.19 44.55 3kem s LEU 69 CO 0.05 0.19 -0.24 -0.63 -0.29 0.00 0.00 176.35 175.43 3kem s ILE 70 N -0.10 2.03 0.25 6.68 -1.09 0.14 -1.03 121.20 128.08 3kem s ILE 70 Ca -0.02 -1.00 -0.24 0.00 -2.23 0.00 0.00 60.65 57.16 3kem s ILE 70 Cb -0.11 -1.75 -0.09 0.00 -1.58 0.00 0.00 42.46 38.93 3kem s ILE 70 CO 0.02 0.55 0.84 -0.36 -1.23 0.00 0.00 174.94 174.77 3kem s PHE 71 N 0.32 3.75 0.84 3.97 2.99 -0.57 -0.98 117.98 128.30 3kem s PHE 71 Ca -0.18 1.65 -0.11 0.00 0.00 0.00 0.00 56.93 58.28 3kem s PHE 71 Cb -0.18 -2.80 0.10 0.00 0.00 0.00 0.00 43.02 40.14 3kem s PHE 71 CO 0.09 0.34 1.09 -1.54 -0.00 0.00 0.00 175.22 175.19 3kem s SER 72 N -1.49 3.98 0.56 1.36 1.04 -1.18 -1.89 113.70 116.08 3kem s SER 72 Ca 0.44 1.47 0.26 0.00 0.48 0.00 0.00 55.95 58.60 3kem s SER 72 Cb -0.20 -2.17 1.51 0.00 0.10 0.00 0.00 66.02 65.26 3kem s SER 72 CO 0.24 -2.32 2.06 0.00 0.98 0.00 0.00 173.24 174.21 3kem h ALA 73 N -1.33 2.08 0.00 5.32 0.00 -1.46 -1.72 119.26 122.16 3kem h ALA 73 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3kem h ALA 73 Cb 1.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3kem h ALA 73 CO 0.56 -0.40 0.00 0.45 0.00 0.00 0.00 179.25 179.86 3kem h HIS 74 N 0.00 0.00 0.00 0.00 3.86 -1.87 -0.39 115.15 116.76 3kem h HIS 74 Ca 0.14 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 3kem h HIS 74 Cb 0.63 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.10 3kem h HIS 74 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 3kem n GLY 75 N 0.02 0.20 3.05 2.45 0.00 -0.65 -4.12 105.19 106.13 3kem n GLY 75 Ca 0.01 -1.79 -0.10 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.26 0.32 0.94 1.61 -7.23 -1.26 -4.63 120.40 107.89 3kem s VAL 76 Ca 0.00 -1.26 -0.12 0.00 -1.81 0.00 0.00 61.98 58.79 3kem s VAL 76 Cb 0.00 -0.78 0.15 0.00 0.56 0.00 0.00 36.38 36.31 3kem s VAL 76 CO 0.00 -0.62 1.09 -0.94 -0.31 0.00 0.00 175.10 174.32 3kem s SER 77 N -1.98 3.09 0.32 4.85 1.04 -1.26 -4.76 113.70 115.01 3kem s SER 77 Ca -0.06 1.45 0.08 0.00 0.48 0.00 0.00 55.95 57.90 3kem s SER 77 Cb -0.05 -2.13 0.54 0.00 0.10 0.00 0.00 66.02 64.48 3kem s SER 77 CO -0.03 -2.87 1.75 1.56 0.98 0.00 0.00 173.24 174.62 3kem h GLN 78 N -1.71 0.20 0.42 4.02 1.08 -1.66 -1.79 115.11 115.67 3kem h GLN 78 Ca -0.51 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 56.60 3kem h GLN 78 Cb 1.30 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.70 3kem h GLN 78 CO 0.54 0.55 -0.36 0.00 -0.95 0.00 0.00 178.83 178.61 3kem h ALA 79 N 1.45 -0.82 -0.43 3.87 0.00 -1.92 0.37 119.26 121.78 3kem h ALA 79 Ca 0.02 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.84 3kem h ALA 79 Cb 0.74 0.50 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 3kem h ALA 79 CO 0.06 -0.99 0.16 0.28 0.00 0.00 0.00 179.25 178.76 3kem h VAL 80 N -0.79 0.88 -0.71 0.00 2.07 -1.90 0.12 116.25 115.93 3kem h VAL 80 Ca -0.04 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.39 3kem h VAL 80 Cb 0.69 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 3kem h VAL 80 CO -0.03 0.06 0.45 -0.09 0.02 0.00 0.00 177.57 177.98 3kem h ARG 81 N 0.34 0.86 -0.42 1.57 2.43 -0.95 0.24 114.38 118.46 3kem h ARG 81 Ca 0.20 -0.05 -0.09 0.00 -0.81 0.00 0.00 59.98 59.23 3kem h ARG 81 Cb 0.18 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3kem h ARG 81 CO -0.20 0.57 -0.08 -0.91 -1.51 0.00 0.00 179.97 177.84 3kem h ASN 82 N 0.89 0.80 -1.00 -3.80 2.35 0.30 -0.32 115.58 114.80 3kem h ASN 82 Ca 0.28 -0.35 0.05 0.00 -0.55 0.00 0.00 56.30 55.73 3kem h ASN 82 Cb -0.02 -0.22 -0.06 0.00 0.05 0.00 0.00 38.32 38.07 3kem h ASN 82 CO -0.09 0.97 0.65 -0.08 -1.65 0.00 0.00 177.43 177.22 3kem h GLU 83 N 0.62 1.18 -0.56 0.81 4.81 -0.23 0.25 114.58 121.45 3kem h GLU 83 Ca 0.11 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.19 3kem h GLU 83 Cb 0.61 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 3kem h GLU 83 CO 0.04 0.78 0.04 0.00 -0.73 0.00 0.00 179.01 179.13 3kem h ALA 84 N 1.43 0.75 -0.57 2.92 0.00 -0.64 -2.64 119.26 120.50 3kem h ALA 84 Ca 0.42 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.94 3kem h ALA 84 Cb 0.09 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3kem h ALA 84 CO -0.15 0.55 -0.03 0.87 0.00 0.00 0.00 179.25 180.48 3kem h LYS 85 N 0.85 1.02 0.00 0.00 1.57 0.27 -2.71 116.57 117.57 3kem h LYS 85 Ca 0.16 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 3kem h LYS 85 Cb 0.49 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 3kem h LYS 85 CO 0.02 1.02 -0.06 0.66 -0.57 0.00 0.00 179.45 180.52 3kem h SER 86 N 0.93 0.00 -3.30 0.86 4.64 -0.42 -3.44 113.55 112.81 3kem h SER 86 Ca 0.16 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 61.00 3kem h SER 86 Cb 0.58 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.71 3kem h SER 86 CO 0.03 0.06 0.04 -0.13 -0.87 0.00 0.00 176.83 175.97 3kem s ARG 87 N -3.83 3.26 -1.31 4.77 1.81 -1.01 -4.98 118.95 117.65 3kem s ARG 87 Ca -0.01 -0.08 -0.14 0.00 -1.72 0.00 0.00 55.73 53.78 3kem s ARG 87 Cb 0.11 -2.43 0.11 0.00 -0.45 0.00 0.00 34.95 32.29 3kem s ARG 87 CO 0.55 -0.31 1.83 -3.47 -0.68 0.00 0.00 175.30 173.22 3kem n ASP 88 N -2.24 4.77 -4.13 0.23 4.64 -1.26 -4.93 116.55 113.63 3kem n ASP 88 Ca 0.01 -2.96 -0.15 0.00 -1.38 0.00 0.00 54.79 50.31 3kem n ASP 88 Cb 0.56 -1.62 -0.11 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 2.02 2.30 -0.29 -2.67 1.43 -1.26 0.62 118.68 120.83 3kem s LEU 89 Ca 0.46 -0.64 -0.12 0.00 -1.03 0.00 0.00 54.13 52.81 3kem s LEU 89 Cb 0.06 -0.33 -0.04 0.00 0.03 0.00 0.00 46.19 45.91 3kem s LEU 89 CO 0.00 -0.17 0.22 -0.89 0.23 0.00 0.00 176.35 175.74 3kem s THR 90 N -1.60 5.29 -0.03 5.49 2.01 -0.95 -4.98 115.64 120.87 3kem s THR 90 Ca -0.03 0.17 0.04 0.00 0.31 0.00 0.00 61.69 62.18 3kem s THR 90 Cb -0.08 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 68.82 3kem s THR 90 CO 0.01 0.20 -0.14 0.68 -0.69 0.00 0.00 174.62 174.68 3kem s VAL 91 N 1.80 3.07 -0.09 3.82 -7.23 -1.26 -0.08 120.40 120.44 3kem s VAL 91 Ca 0.08 -0.81 0.01 0.00 -1.81 0.00 0.00 61.98 59.45 3kem s VAL 91 Cb -0.16 -2.23 0.02 0.00 0.56 0.00 0.00 36.38 34.56 3kem s VAL 91 CO 0.11 0.52 -0.12 -0.36 -0.31 0.00 0.00 175.10 174.94 3kem s PHE 92 N -0.80 1.58 -0.44 2.82 0.08 -0.20 -4.97 117.98 116.05 3kem s PHE 92 Ca 0.13 -0.67 -0.19 0.00 0.12 0.00 0.00 56.93 56.32 3kem s PHE 92 Cb -0.11 -1.19 0.03 0.00 -0.57 0.00 0.00 43.02 41.19 3kem s PHE 92 CO 0.02 -0.38 0.53 0.34 -0.10 0.00 0.00 175.22 175.63 3kem s ASP 93 N 1.00 6.24 0.00 1.36 3.68 -1.26 -1.52 116.67 126.17 3kem s ASP 93 Ca -0.08 -0.63 0.21 0.00 2.13 0.00 0.00 52.55 54.18 3kem s ASP 93 Cb -0.15 -2.26 0.70 0.00 -1.45 0.00 0.00 42.92 39.76 3kem s ASP 93 CO -0.00 -0.69 1.52 0.00 0.13 0.00 0.00 175.17 176.12 3kem n ALA 94 N 5.89 2.51 -1.56 3.66 0.00 -0.79 -4.92 120.51 125.29 3kem n ALA 94 Ca -0.06 -0.57 -0.49 0.00 0.00 0.00 0.00 53.44 52.33 3kem n ALA 94 Cb 0.47 -1.06 -0.04 0.00 0.00 0.00 0.00 19.45 18.82 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 0.43 0.99 -1.93 0.00 -1.04 -1.19 -3.84 114.28 107.71 3kem n THR 95 Ca 0.16 -0.25 -0.41 0.00 -2.04 0.00 0.00 64.05 61.51 3kem n THR 95 Cb 0.35 -0.76 -0.02 0.00 -1.82 0.00 0.00 70.33 68.08 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 4.96 0.14 0.00 0.00 0.11 -1.92 0.95 132.00 136.24 3kem h PRO 97 Ca -0.46 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 3kem h PRO 97 Cb 1.22 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 3kem h PRO 97 CO 0.78 0.09 -0.29 -0.07 -0.21 0.00 0.00 178.00 178.31 3kem h LEU 98 N 0.15 0.00 0.05 2.35 4.07 -1.98 -1.51 115.31 118.44 3kem h LEU 98 Ca 0.30 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 58.19 3kem h LEU 98 Cb 0.99 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.74 3kem h LEU 98 CO -0.04 0.29 -0.33 0.58 -1.08 0.00 0.00 178.44 177.85 3kem h VAL 99 N 0.00 1.66 -0.98 1.22 2.07 -1.22 -3.28 116.25 115.72 3kem h VAL 99 Ca -0.00 -2.34 0.18 0.00 0.82 0.00 0.00 66.70 65.35 3kem h VAL 99 Cb 0.86 3.22 -0.09 0.00 -1.52 0.00 0.00 31.29 33.76 3kem h VAL 99 CO 0.04 0.63 0.61 0.74 0.02 0.00 0.00 177.57 179.61 3kem h THR 100 N -0.69 0.74 -0.42 2.57 2.02 -1.08 0.04 112.91 116.08 3kem h THR 100 Ca -0.05 -0.25 0.06 0.00 0.77 0.00 0.00 66.41 66.94 3kem h THR 100 Cb 1.22 -0.05 -0.05 0.00 -1.74 0.00 0.00 68.15 67.53 3kem h THR 100 CO 0.06 0.13 0.11 0.50 0.37 0.00 0.00 175.52 176.69 3kem h LYS 101 N 0.72 0.25 -0.61 6.66 3.64 -1.33 -0.79 116.57 125.11 3kem h LYS 101 Ca 0.54 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.85 3kem h LYS 101 Cb 0.89 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.63 3kem h LYS 101 CO -0.31 0.16 0.15 0.28 -2.27 0.00 0.00 179.45 177.46 3kem h VAL 102 N 0.25 1.25 -0.48 2.00 2.07 -1.09 -2.91 116.25 117.35 3kem h VAL 102 Ca 0.20 -0.91 0.10 0.00 0.82 0.00 0.00 66.70 66.91 3kem h VAL 102 Cb 0.23 0.67 -0.09 0.00 -1.52 0.00 0.00 31.29 30.58 3kem h VAL 102 CO -0.24 0.34 -0.10 0.45 0.02 0.00 0.00 177.57 178.03 3kem h HIS 103 N 0.89 -0.22 -0.95 1.57 3.86 -0.25 -1.51 115.15 118.53 3kem h HIS 103 Ca 0.19 0.04 0.09 0.00 -1.16 0.00 0.00 60.37 59.53 3kem h HIS 103 Cb 0.35 0.17 -0.07 0.00 1.06 0.00 0.00 27.41 28.92 3kem h HIS 103 CO 0.03 -0.19 0.61 0.52 0.86 0.00 0.00 177.93 179.76 3kem h MET 104 N 0.01 1.00 -0.33 2.45 2.86 -0.99 -0.37 114.93 119.56 3kem h MET 104 Ca 0.23 -0.06 -0.15 0.00 -2.06 0.00 0.00 59.70 57.66 3kem h MET 104 Cb 0.35 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 3kem h MET 104 CO -0.48 0.66 -0.39 0.93 1.06 0.00 0.00 176.91 178.70 3kem h GLU 105 N 1.03 0.79 -0.59 1.72 4.39 -1.23 -0.34 114.58 120.35 3kem h GLU 105 Ca 0.43 -0.41 -0.09 0.00 0.34 0.00 0.00 59.36 59.63 3kem h GLU 105 Cb 0.31 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 3kem h GLU 105 CO -0.19 1.04 0.00 0.28 -1.16 0.00 0.00 179.01 178.98 3kem h VAL 106 N 0.65 1.26 -0.63 3.13 2.07 -0.71 -1.29 116.25 120.74 3kem h VAL 106 Ca 0.05 -1.14 -0.05 0.00 0.82 0.00 0.00 66.70 66.38 3kem h VAL 106 Cb 0.94 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 3kem h VAL 106 CO 0.09 0.41 0.18 0.00 0.02 0.00 0.00 177.57 178.27 3kem h ALA 107 N 1.04 0.82 0.11 1.67 0.00 -0.88 -0.99 119.26 121.03 3kem h ALA 107 Ca 0.17 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3kem h ALA 107 Cb 0.55 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3kem h ALA 107 CO 0.03 0.51 -0.07 -0.09 0.00 0.00 0.00 179.25 179.63 3kem h ARG 108 N 0.91 -0.18 -0.83 0.00 2.43 -0.69 -1.54 114.38 114.48 3kem h ARG 108 Ca 0.20 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.41 3kem h ARG 108 Cb 0.32 0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.87 3kem h ARG 108 CO -0.00 -0.12 0.54 0.00 -1.51 0.00 0.00 179.97 178.88 3kem h ALA 109 N 0.70 1.47 -0.60 2.80 0.00 -1.04 -2.08 119.26 120.52 3kem h ALA 109 Ca -0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3kem h ALA 109 Cb 0.16 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3kem h ALA 109 CO 0.01 0.46 0.31 1.03 0.00 0.00 0.00 179.25 181.05 3kem h SER 110 N 1.05 0.77 -0.03 0.00 0.87 -0.71 -1.88 113.55 113.61 3kem h SER 110 Ca 0.32 -0.11 0.01 0.00 -1.23 0.00 0.00 61.79 60.77 3kem h SER 110 Cb -0.01 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 3kem h SER 110 CO -0.09 0.66 -0.01 0.03 -0.53 0.00 0.00 176.83 176.89 3kem h ARG 111 N 0.81 -0.01 0.00 2.24 3.08 -0.62 -1.33 114.38 118.55 3kem h ARG 111 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 3kem h ARG 111 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 3kem h ARG 111 CO -0.03 -0.01 0.00 0.54 -1.07 0.00 0.00 179.97 179.40 3kem n ARG 112 N -5.12 0.04 -1.16 0.04 1.74 -0.95 -4.81 116.66 106.44 3kem n ARG 112 Ca -0.06 0.31 -0.06 0.00 -0.77 0.00 0.00 57.85 57.27 3kem n ARG 112 Cb 0.05 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 29.97 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 -0.75 0.74 3.83 -0.13 0.00 -0.50 -4.98 105.19 103.39 3kem n GLY 113 Ca 0.02 -0.25 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.02 4.02 0.34 1.61 2.02 -0.77 -3.93 118.70 119.97 3kem s GLU 114 Ca 0.00 0.53 -0.28 0.00 0.02 0.00 0.00 54.97 55.25 3kem s GLU 114 Cb 0.00 -3.20 -0.09 0.00 0.10 0.00 0.00 34.13 30.94 3kem s GLU 114 CO 0.00 0.65 1.19 -1.21 0.02 0.00 0.00 175.26 175.91 3kem s GLU 115 N -1.18 4.33 0.08 1.61 2.02 -1.22 -4.39 118.70 119.95 3kem s GLU 115 Ca 0.27 1.94 0.07 0.00 0.02 0.00 0.00 54.97 57.26 3kem s GLU 115 Cb -0.18 -2.95 -0.03 0.00 0.10 0.00 0.00 34.13 31.07 3kem s GLU 115 CO 0.16 -0.11 -0.18 -1.12 0.02 0.00 0.00 175.26 174.03 3kem s SER 116 N -0.87 2.14 -0.13 -0.19 0.01 0.10 -1.87 113.70 112.89 3kem s SER 116 Ca 0.51 -0.62 0.03 0.00 1.31 0.00 0.00 55.95 57.17 3kem s SER 116 Cb -0.34 -0.11 0.01 0.00 0.21 0.00 0.00 66.02 65.79 3kem s SER 116 CO 0.43 0.02 -0.22 -0.63 0.41 0.00 0.00 173.24 173.25 3kem s ILE 117 N -1.14 2.02 -0.16 1.44 -1.09 0.49 -1.54 121.20 121.23 3kem s ILE 117 Ca 0.03 -0.97 -0.05 0.00 -2.23 0.00 0.00 60.65 57.43 3kem s ILE 117 Cb -0.10 -1.78 -0.03 0.00 -1.58 0.00 0.00 42.46 38.97 3kem s ILE 117 CO 0.03 0.54 0.02 -0.22 -1.23 0.00 0.00 174.94 174.09 3kem s LEU 118 N 0.72 3.60 -0.30 2.97 2.96 0.96 -0.63 118.68 128.96 3kem s LEU 118 Ca -0.10 0.02 -0.15 0.00 -0.22 0.00 0.00 54.13 53.69 3kem s LEU 118 Cb -0.16 -1.88 -0.03 0.00 0.50 0.00 0.00 46.19 44.62 3kem s LEU 118 CO 0.00 0.20 0.38 -0.63 -1.32 0.00 0.00 176.35 174.99 3kem s ILE 119 N 0.17 5.16 0.02 6.68 1.09 0.04 -1.09 121.20 133.27 3kem s ILE 119 Ca 0.02 0.40 -0.10 0.00 -1.10 0.00 0.00 60.65 59.87 3kem s ILE 119 Cb -0.13 -3.75 0.03 0.00 -1.06 0.00 0.00 42.46 37.56 3kem s ILE 119 CO 0.01 0.06 0.46 0.61 -0.10 0.00 0.00 174.94 175.98 3kem n GLY 120 N 4.78 0.65 3.43 6.18 0.00 -0.73 -1.05 105.19 118.45 3kem n GLY 120 Ca -0.08 -0.94 -0.36 0.00 0.00 0.00 0.00 46.02 44.63 3kem n GLY 120 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3kem s HIS 121 N -3.26 3.06 0.28 1.61 3.76 -1.26 -4.09 115.29 115.40 3kem s HIS 121 Ca 0.11 -0.49 -0.29 0.00 -0.15 0.00 0.00 55.06 54.23 3kem s HIS 121 Cb -0.01 -2.20 -0.14 0.00 1.11 0.00 0.00 32.58 31.35 3kem s HIS 121 CO 0.00 -0.36 1.18 0.00 -0.85 0.00 0.00 174.74 174.71 3kem n ALA 122 N 4.81 0.42 0.00 -1.40 0.00 -1.26 -2.51 120.51 120.57 3kem n ALA 122 Ca -0.17 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.67 3kem n ALA 122 Cb 0.51 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.83 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 1.34 3.07 3.76 0.00 0.00 -1.26 -5.03 105.19 107.07 3kem n GLY 123 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.94 3.15 0.45 1.61 5.04 -1.04 -4.88 115.29 117.68 3kem s HIS 124 Ca 0.00 1.41 0.14 0.00 -1.54 0.00 0.00 55.06 55.07 3kem s HIS 124 Cb 0.00 -3.62 1.07 0.00 0.04 0.00 0.00 32.58 30.07 3kem s HIS 124 CO 0.00 -1.71 2.02 -1.00 -2.34 0.00 0.00 174.74 171.71 3kem h PRO 125 N 3.79 0.33 -0.60 2.88 0.13 -1.94 -1.23 132.00 135.37 3kem h PRO 125 Ca -0.48 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 64.57 3kem h PRO 125 Cb 1.22 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 3kem h PRO 125 CO 0.68 0.22 0.15 1.49 -0.23 0.00 0.00 178.00 180.31 3kem h GLU 126 N 0.34 0.95 -0.56 0.86 4.81 -1.86 -0.04 114.58 119.08 3kem h GLU 126 Ca 0.21 -0.23 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 3kem h GLU 126 Cb 0.41 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 3kem h GLU 126 CO -0.05 0.87 0.19 0.28 -0.73 0.00 0.00 179.01 179.58 3kem h VAL 127 N 0.87 1.23 -0.69 0.32 2.07 -1.57 -0.40 116.25 118.08 3kem h VAL 127 Ca 0.19 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.92 3kem h VAL 127 Cb 0.35 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 3kem h VAL 127 CO 0.00 0.29 0.35 -0.08 0.02 0.00 0.00 177.57 178.15 3kem h GLU 128 N 0.78 0.98 -0.29 1.57 4.81 -0.90 0.09 114.58 121.62 3kem h GLU 128 Ca 0.18 -0.13 -0.08 0.00 -0.13 0.00 0.00 59.36 59.20 3kem h GLU 128 Cb 0.25 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3kem h GLU 128 CO -0.01 0.76 -0.12 0.78 -0.73 0.00 0.00 179.01 179.69 3kem h GLY 129 N 0.96 0.64 0.80 1.92 0.00 -0.72 -1.19 103.07 105.48 3kem h GLY 129 Ca 0.24 -0.56 -0.03 0.00 0.00 0.00 0.00 47.33 46.98 3kem h GLY 129 CO -0.03 0.51 -0.00 -0.84 0.00 0.00 0.00 176.54 176.18 3kem h THR 130 N 0.34 1.26 -0.48 4.70 2.02 -0.94 -2.39 112.91 117.42 3kem h THR 130 Ca 0.07 -0.87 -0.00 0.00 0.77 0.00 0.00 66.41 66.38 3kem h THR 130 Cb 0.63 1.48 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 3kem h THR 130 CO 0.04 0.26 0.30 0.24 0.37 0.00 0.00 175.52 176.73 3kem h MET 131 N 0.06 0.65 0.00 6.66 2.86 -1.03 -0.94 114.93 123.19 3kem h MET 131 Ca 0.05 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3kem h MET 131 Cb 0.39 -0.14 0.00 0.00 0.06 0.00 0.00 31.60 31.91 3kem h MET 131 CO 0.01 0.45 0.00 0.41 1.06 0.00 0.00 176.91 178.84 3kem n GLY 132 N -1.40 -0.54 0.29 8.32 0.00 -0.45 -2.16 105.19 109.25 3kem n GLY 132 Ca 0.04 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.88 0.84 -3.89 1.61 1.13 -0.36 -1.98 117.38 113.86 3kem n GLN 133 Ca 0.10 -0.58 -0.35 0.00 -1.94 0.00 0.00 57.00 54.22 3kem n GLN 133 Cb 0.04 -1.49 -0.11 0.00 0.11 0.00 0.00 30.24 28.80 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 -2.56 3.20 0.00 1.08 5.04 -0.92 -4.08 117.35 119.11 3kem s TYR 134 Ca 0.21 -0.06 0.00 0.00 -2.44 0.00 0.00 57.07 54.78 3kem s TYR 134 Cb 0.19 -2.16 0.00 0.00 0.35 0.00 0.00 41.96 40.33 3kem s TYR 134 CO 0.57 -0.03 0.10 -1.13 -1.34 0.00 0.00 175.55 173.73 3kem n SER 135 N 4.11 0.21 -4.61 4.32 3.41 -1.26 -5.04 113.62 114.76 3kem n SER 135 Ca -0.16 -0.85 -0.43 0.00 -0.26 0.00 0.00 58.87 57.17 3kem n SER 135 Cb 0.52 0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.49 3kem n SER 135 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3kem s ASN 136 N -0.04 6.54 0.39 4.04 3.04 -1.26 -4.90 114.94 122.74 3kem s ASN 136 Ca 0.00 0.73 0.10 0.00 0.04 0.00 0.00 52.86 53.73 3kem s ASN 136 Cb 0.00 -2.54 0.89 0.00 -1.54 0.00 0.00 41.25 38.05 3kem s ASN 136 CO 0.00 -1.28 1.95 -0.65 -3.04 0.00 0.00 177.10 174.08 3kem h PRO 137 N 9.75 0.57 0.00 0.43 0.11 -1.96 -1.74 132.00 139.16 3kem h PRO 137 Ca -0.25 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3kem h PRO 137 Cb 1.08 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3kem h PRO 137 CO 1.10 0.38 0.00 0.93 -0.21 0.00 0.00 178.00 180.19 3kem h GLU 138 N 0.59 0.00 0.00 1.05 5.08 -1.91 -3.43 114.58 115.95 3kem h GLU 138 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 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 -0.11 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.31 3kem n GLY 139 N -0.23 1.36 3.64 -3.84 0.00 -0.65 -4.95 105.19 100.52 3kem n GLY 139 Ca 0.01 -0.74 -0.03 0.00 0.00 0.00 0.00 46.02 45.25 3kem n GLY 139 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kem s GLY 140 N 0.00 0.19 -0.21 -0.02 0.00 -1.26 -4.90 107.32 101.12 3kem s GLY 140 Ca 0.00 3.14 -0.02 0.00 0.00 0.00 0.00 44.72 47.84 3kem s GLY 140 CO 0.00 1.58 0.01 -0.29 0.00 0.00 0.00 173.10 174.39 3kem s MET 141 N -0.41 0.97 0.15 2.90 0.00 -1.26 -0.73 119.30 120.93 3kem s MET 141 Ca 0.07 -0.60 0.10 0.00 0.00 0.00 0.00 55.69 55.26 3kem s MET 141 Cb -0.03 -2.26 -0.04 0.00 0.00 0.00 0.00 34.83 32.50 3kem s MET 141 CO -0.11 -0.62 -0.19 0.71 0.00 0.00 0.00 175.02 174.80 3kem s TYR 142 N 1.71 2.46 -0.09 4.11 1.51 -0.59 -5.01 117.35 121.44 3kem s TYR 142 Ca -0.02 -0.30 0.02 0.00 -1.01 0.00 0.00 57.07 55.75 3kem s TYR 142 Cb -0.18 -1.27 -0.02 0.00 -0.11 0.00 0.00 41.96 40.39 3kem s TYR 142 CO -0.07 0.43 -0.13 -1.17 -1.11 0.00 0.00 175.55 173.49 3kem s LEU 143 N -2.39 2.75 0.01 -1.29 2.96 -1.26 -0.02 118.68 119.42 3kem s LEU 143 Ca 0.19 -0.25 0.02 0.00 -0.22 0.00 0.00 54.13 53.88 3kem s LEU 143 Cb -0.09 -1.59 -0.01 0.00 0.50 0.00 0.00 46.19 45.00 3kem s LEU 143 CO 0.10 0.26 -0.08 0.68 -1.32 0.00 0.00 176.35 175.99 3kem s VAL 144 N -0.20 0.61 -0.03 1.68 -7.23 -0.25 -4.95 120.40 110.03 3kem s VAL 144 Ca 0.00 -0.48 0.07 0.00 -1.81 0.00 0.00 61.98 59.77 3kem s VAL 144 Cb -0.13 -0.54 -0.11 0.00 0.56 0.00 0.00 36.38 36.16 3kem s VAL 144 CO 0.03 0.07 0.13 -0.62 -0.31 0.00 0.00 175.10 174.40 3kem n GLU 145 N 2.61 0.97 -4.08 4.82 1.02 -1.26 -1.77 120.64 122.96 3kem n GLU 145 Ca -0.15 -0.05 -0.13 0.00 -0.02 0.00 0.00 57.16 56.81 3kem n GLU 145 Cb 0.57 -1.18 -0.05 0.00 -0.02 0.00 0.00 31.44 30.76 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 -3.15 0.52 0.42 1.62 1.04 -1.26 -4.85 113.70 108.04 3kem s SER 146 Ca -0.03 -1.31 0.09 0.00 0.48 0.00 0.00 55.95 55.18 3kem s SER 146 Cb 0.04 0.61 0.91 0.00 0.10 0.00 0.00 66.02 67.68 3kem s SER 146 CO 0.31 -1.19 2.04 -0.65 0.98 0.00 0.00 173.24 174.72 3kem h PRO 147 N 2.22 0.37 -1.00 4.02 0.11 -1.89 -1.73 132.00 134.10 3kem h PRO 147 Ca -0.29 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 65.84 3kem h PRO 147 Cb 1.24 -0.07 -0.06 0.00 0.11 0.00 0.00 31.00 32.22 3kem h PRO 147 CO 0.40 0.30 0.65 -0.44 -0.21 0.00 0.00 178.00 178.70 3kem h ASP 148 N 0.37 1.07 -0.49 -2.05 3.32 -1.99 0.79 116.42 117.45 3kem h ASP 148 Ca 0.09 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.05 3kem h ASP 148 Cb 0.06 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 3kem h ASP 148 CO -0.01 0.71 -0.07 0.44 -1.72 0.00 0.00 179.24 178.59 3kem h ASP 149 N 1.23 0.90 -0.88 6.45 3.32 -1.72 -2.84 116.42 122.88 3kem h ASP 149 Ca 0.41 -0.34 0.02 0.00 0.02 0.00 0.00 57.03 57.14 3kem h ASP 149 Cb 0.06 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 39.32 3kem h ASP 149 CO -0.14 1.03 0.58 0.58 -1.72 0.00 0.00 179.24 179.56 3kem h VAL 150 N 0.76 1.18 0.00 -1.35 2.07 -0.81 -1.73 116.25 116.37 3kem h VAL 150 Ca 0.13 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 3kem h VAL 150 Cb 0.61 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.32 3kem h VAL 150 CO 0.04 0.21 -0.04 -0.50 0.02 0.00 0.00 177.57 177.30 3kem h TRP 151 N 1.14 0.00 0.00 1.57 -0.00 -0.67 -2.63 115.95 115.37 3kem h TRP 151 Ca 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.23 3kem h TRP 151 Cb -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.10 3kem h TRP 151 CO -0.01 0.04 -1.72 1.63 -0.00 0.00 0.00 178.44 178.38 3kem n LYS 152 N -3.63 0.61 -2.04 0.49 5.02 -0.73 -4.98 118.16 112.90 3kem n LYS 152 Ca -0.03 -0.12 -0.41 0.00 -2.02 0.00 0.00 58.31 55.74 3kem n LYS 152 Cb 0.13 -1.58 -0.02 0.00 -0.02 0.00 0.00 35.03 33.54 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 -4.60 4.40 -0.02 -0.35 0.20 -0.76 -5.03 118.68 112.51 3kem s LEU 153 Ca -0.05 2.74 0.03 0.00 0.69 0.00 0.00 54.13 57.54 3kem s LEU 153 Cb 0.13 -3.65 -0.00 0.00 -0.43 0.00 0.00 46.19 42.25 3kem s LEU 153 CO 0.88 -0.63 -0.10 0.42 -0.29 0.00 0.00 176.35 176.63 3kem s THR 154 N -0.85 0.85 0.33 3.68 -4.23 -1.26 -5.03 115.64 109.13 3kem s THR 154 Ca 0.52 -0.41 0.09 0.00 -1.18 0.00 0.00 61.69 60.71 3kem s THR 154 Cb -0.41 -0.74 -0.06 0.00 1.34 0.00 0.00 72.50 72.62 3kem s THR 154 CO 0.52 0.26 -0.09 0.54 -0.54 0.00 0.00 174.62 175.31 3kem s VAL 155 N 0.06 2.14 -0.02 2.29 0.11 -1.26 -5.07 120.40 118.66 3kem s VAL 155 Ca -0.01 -2.19 -0.24 0.00 -2.93 0.00 0.00 61.98 56.61 3kem s VAL 155 Cb -0.08 -2.62 -0.20 0.00 -1.53 0.00 0.00 36.38 31.95 3kem s VAL 155 CO 0.00 -0.21 1.19 0.11 -3.33 0.00 0.00 175.10 172.86 3kem h LYS 156 N 2.06 0.16 -2.48 1.54 1.57 -1.98 -3.42 116.57 114.02 3kem h LYS 156 Ca -0.42 -0.11 -0.50 0.00 -1.87 0.00 0.00 60.65 57.75 3kem h LYS 156 Cb 1.25 0.02 -0.37 0.00 0.08 0.00 0.00 32.23 33.20 3kem h LYS 156 CO 0.70 0.73 -0.77 1.21 -0.57 0.00 0.00 179.45 180.74 3kem s ASN 157 N -6.05 2.66 0.00 0.86 2.47 -1.26 -4.99 114.94 108.64 3kem s ASN 157 Ca -0.16 -1.64 0.07 0.00 0.42 0.00 0.00 52.86 51.56 3kem s ASN 157 Cb 0.02 -0.10 0.39 0.00 -1.45 0.00 0.00 41.25 40.11 3kem s ASN 157 CO 0.72 -0.35 0.95 -1.84 -3.72 0.00 0.00 177.10 172.86 3kem n GLU 158 N 4.60 0.63 0.03 0.43 0.28 -1.26 -2.24 120.64 123.11 3kem n GLU 158 Ca 0.05 0.00 -0.04 0.00 -0.16 0.00 0.00 57.16 57.00 3kem n GLU 158 Cb 0.41 -1.16 -0.10 0.00 1.43 0.00 0.00 31.44 32.02 3kem n GLU 158 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 3kem h GLU 159 N 0.00 0.00 -3.19 3.44 4.39 -1.94 -3.39 114.58 113.90 3kem h GLU 159 Ca 0.00 0.00 -0.63 0.00 0.34 0.00 0.00 59.36 59.07 3kem h GLU 159 Cb 0.00 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 28.24 3kem h GLU 159 CO 0.00 0.55 -0.54 0.15 -1.16 0.00 0.00 179.01 178.01 3kem s LYS 160 N -2.76 2.42 -0.02 2.33 1.02 -0.95 -4.90 119.74 116.88 3kem s LYS 160 Ca -0.02 -3.16 0.01 0.00 0.02 0.00 0.00 55.97 52.83 3kem s LYS 160 Cb 0.09 -3.45 0.02 0.00 -0.52 0.00 0.00 37.83 33.96 3kem s LYS 160 CO 0.81 -1.24 -0.03 -1.17 -0.92 0.00 0.00 175.35 172.80 3kem s LEU 161 N -1.14 1.50 0.17 3.17 0.20 -1.26 -3.46 118.68 117.85 3kem s LEU 161 Ca 0.23 -0.07 0.05 0.00 0.69 0.00 0.00 54.13 55.03 3kem s LEU 161 Cb -0.10 -0.28 -0.05 0.00 -0.43 0.00 0.00 46.19 45.34 3kem s LEU 161 CO -0.12 -0.04 -0.11 -0.94 -0.29 0.00 0.00 176.35 174.86 3kem s SER 162 N 0.60 2.01 0.09 3.68 1.04 -0.78 -0.18 113.70 120.16 3kem s SER 162 Ca -0.07 -1.03 0.02 0.00 0.48 0.00 0.00 55.95 55.36 3kem s SER 162 Cb -0.10 -0.04 -0.04 0.00 0.10 0.00 0.00 66.02 65.94 3kem s SER 162 CO -0.01 -0.30 -0.08 0.72 0.98 0.00 0.00 173.24 174.56 3kem s PHE 163 N -3.24 0.91 0.15 5.02 -0.12 -0.39 -0.38 117.98 119.94 3kem s PHE 163 Ca 0.19 -0.81 -0.04 0.00 -0.05 0.00 0.00 56.93 56.22 3kem s PHE 163 Cb 0.02 -0.52 -0.03 0.00 -0.63 0.00 0.00 43.02 41.86 3kem s PHE 163 CO 0.03 -0.10 0.15 -1.64 -0.05 0.00 0.00 175.22 173.61 3kem s MET 164 N -3.35 1.03 0.14 1.99 -1.94 0.19 -4.53 119.30 112.83 3kem s MET 164 Ca 0.08 -1.33 0.02 0.00 -1.71 0.00 0.00 55.69 52.76 3kem s MET 164 Cb 0.02 0.30 -0.04 0.00 2.01 0.00 0.00 34.83 37.11 3kem s MET 164 CO -0.03 -0.33 -0.05 0.95 -0.01 0.00 0.00 175.02 175.55 3kem s THR 165 N -4.02 0.79 0.58 2.05 -4.23 -1.26 -0.78 115.64 108.78 3kem s THR 165 Ca 0.21 -1.98 -0.18 0.00 -1.18 0.00 0.00 61.69 58.57 3kem s THR 165 Cb 0.06 -1.90 -0.04 0.00 1.34 0.00 0.00 72.50 71.96 3kem s THR 165 CO 0.01 -0.68 1.12 -1.58 -0.54 0.00 0.00 174.62 172.95 3kem s GLN 166 N -3.85 3.18 0.22 3.99 0.74 -0.21 -4.63 119.66 119.09 3kem s GLN 166 Ca 0.18 1.51 0.26 0.00 0.05 0.00 0.00 55.36 57.35 3kem s GLN 166 Cb 0.05 -1.99 0.70 0.00 1.10 0.00 0.00 33.01 32.87 3kem s GLN 166 CO -0.00 -0.97 1.70 1.79 -0.55 0.00 0.00 175.29 177.26 3kem h THR 167 N 0.77 0.00 -0.29 -0.34 1.35 -1.92 -3.36 112.91 109.11 3kem h THR 167 Ca -0.49 -0.53 -0.06 0.00 -0.55 0.00 0.00 66.41 64.78 3kem h THR 167 Cb 1.25 1.47 -0.04 0.00 -1.73 0.00 0.00 68.15 69.10 3kem h THR 167 CO 0.56 0.00 -0.00 0.35 -0.25 0.00 0.00 175.52 176.17 3kem n THR 168 N -2.32 2.37 -1.81 6.82 -2.24 -1.26 -2.26 114.28 113.59 3kem n THR 168 Ca 0.05 -2.14 -0.29 0.00 -2.27 0.00 0.00 64.05 59.40 3kem n THR 168 Cb 0.44 -0.28 0.08 0.00 -2.10 0.00 0.00 70.33 68.48 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 -2.96 2.56 -0.03 3.22 1.43 -1.26 -4.18 118.68 117.45 3kem s LEU 169 Ca 0.43 0.96 -0.30 0.00 -1.03 0.00 0.00 54.13 54.19 3kem s LEU 169 Cb 0.36 -3.53 -0.05 0.00 0.03 0.00 0.00 46.19 43.01 3kem s LEU 169 CO 0.06 -1.84 1.43 -0.55 0.23 0.00 0.00 176.35 175.67 3kem s SER 170 N -4.37 6.83 0.19 2.29 0.15 -1.26 -4.90 113.70 112.63 3kem s SER 170 Ca 0.61 2.07 -0.12 0.00 0.70 0.00 0.00 55.95 59.22 3kem s SER 170 Cb -0.12 -2.55 0.19 0.00 -1.71 0.00 0.00 66.02 61.83 3kem s SER 170 CO 0.51 -0.76 1.78 0.58 1.20 0.00 0.00 173.24 176.55 3kem h VAL 171 N 5.12 0.91 -0.24 4.45 2.07 -1.94 -1.47 116.25 125.16 3kem h VAL 171 Ca -0.36 -0.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 3kem h VAL 171 Cb 1.17 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 3kem h VAL 171 CO 0.92 0.09 0.09 0.44 0.02 0.00 0.00 177.57 179.13 3kem h ASP 172 N 0.51 0.34 -0.49 0.57 5.19 -2.00 -1.77 116.42 118.77 3kem h ASP 172 Ca 0.26 -0.18 -0.07 0.00 -0.62 0.00 0.00 57.03 56.41 3kem h ASP 172 Cb 0.20 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.60 3kem h ASP 172 CO -0.20 0.43 0.03 0.44 -3.12 0.00 0.00 179.24 176.83 3kem h ASP 173 N 0.24 0.82 -0.74 6.45 3.45 -1.94 -2.75 116.42 121.96 3kem h ASP 173 Ca 0.08 -0.29 -0.01 0.00 0.43 0.00 0.00 57.03 57.24 3kem h ASP 173 Cb 0.20 -0.22 -0.04 0.00 -0.56 0.00 0.00 39.33 38.72 3kem h ASP 173 CO -0.00 0.91 0.44 0.74 -1.57 0.00 0.00 179.24 179.75 3kem h THR 174 N 0.71 1.21 -0.88 0.35 2.02 -1.22 -1.86 112.91 113.25 3kem h THR 174 Ca 0.14 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.85 3kem h THR 174 Cb 0.47 0.17 -0.04 0.00 -1.74 0.00 0.00 68.15 67.00 3kem h THR 174 CO 0.02 0.22 0.56 -1.28 0.37 0.00 0.00 175.52 175.42 3kem h SER 175 N 1.03 1.03 -0.66 4.18 0.87 -1.06 -0.05 113.55 118.89 3kem h SER 175 Ca 0.27 -0.04 -0.08 0.00 -1.23 0.00 0.00 61.79 60.70 3kem h SER 175 Cb -0.03 -0.26 -0.03 0.00 -0.44 0.00 0.00 62.40 61.65 3kem h SER 175 CO -0.05 0.76 0.09 0.44 -0.53 0.00 0.00 176.83 177.55 3kem h ASP 176 N 1.20 1.06 -0.50 6.23 3.45 -1.09 -1.31 116.42 125.46 3kem h ASP 176 Ca 0.32 -0.27 -0.04 0.00 0.43 0.00 0.00 57.03 57.48 3kem h ASP 176 Cb -0.10 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.36 3kem h ASP 176 CO -0.07 1.06 0.17 0.58 -1.57 0.00 0.00 179.24 179.41 3kem h VAL 177 N 1.02 1.23 -0.26 -1.35 2.07 -0.78 -2.13 116.25 116.05 3kem h VAL 177 Ca 0.20 -0.74 0.02 0.00 0.82 0.00 0.00 66.70 67.00 3kem h VAL 177 Cb 0.46 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3kem h VAL 177 CO 0.02 0.27 0.11 0.40 0.02 0.00 0.00 177.57 178.39 3kem h ILE 178 N 0.67 0.97 -0.70 4.57 1.08 -0.78 -1.21 117.51 122.12 3kem h ILE 178 Ca 0.16 -0.08 0.12 0.00 -0.39 0.00 0.00 64.86 64.67 3kem h ILE 178 Cb 0.25 0.70 -0.09 0.00 -3.07 0.00 0.00 36.82 34.62 3kem h ILE 178 CO -0.01 0.04 0.27 0.44 -0.69 0.00 0.00 178.15 178.21 3kem h ASP 179 N 0.25 0.26 -0.34 1.72 3.45 -0.94 -0.71 116.42 120.11 3kem h ASP 179 Ca 0.11 0.10 -0.01 0.00 0.43 0.00 0.00 57.03 57.65 3kem h ASP 179 Cb 0.05 0.07 -0.02 0.00 -0.56 0.00 0.00 39.33 38.88 3kem h ASP 179 CO -0.09 0.12 0.16 0.00 -1.57 0.00 0.00 179.24 177.86 3kem h ALA 180 N 1.49 0.43 -0.59 3.45 0.00 -0.81 -2.44 119.26 120.80 3kem h ALA 180 Ca 0.37 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.24 3kem h ALA 180 Cb 0.52 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.12 3kem h ALA 180 CO -0.36 -0.01 0.29 -0.07 0.00 0.00 0.00 179.25 179.10 3kem h LEU 181 N 0.41 0.39 -1.17 0.00 3.38 0.01 -0.75 115.31 117.58 3kem h LEU 181 Ca 0.12 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.07 3kem h LEU 181 Cb 0.12 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3kem h LEU 181 CO -0.01 0.26 -0.29 0.03 0.09 0.00 0.00 178.44 178.51 3kem h ARG 182 N 0.54 0.00 0.11 1.13 3.08 -1.08 0.49 114.38 118.65 3kem h ARG 182 Ca 0.27 0.00 -0.28 0.00 0.07 0.00 0.00 59.98 60.04 3kem h ARG 182 Cb 0.22 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.27 3kem h ARG 182 CO -0.21 0.29 -1.31 0.87 -1.07 0.00 0.00 179.97 178.55 3kem h LYS 183 N 0.00 0.24 0.17 0.04 1.57 -0.89 -2.72 116.57 114.97 3kem h LYS 183 Ca -0.00 -0.40 -0.32 0.00 -1.87 0.00 0.00 60.65 58.05 3kem h LYS 183 Cb 0.74 0.15 0.01 0.00 0.08 0.00 0.00 32.23 33.21 3kem h LYS 183 CO 0.04 1.16 -1.57 -0.09 -0.57 0.00 0.00 179.45 178.42 3kem h ARG 184 N 0.06 0.35 -2.64 3.15 2.43 -1.05 -3.39 114.38 113.29 3kem h ARG 184 Ca -0.16 -0.60 -0.61 0.00 -0.81 0.00 0.00 59.98 57.81 3kem h ARG 184 Cb 1.97 0.22 -0.41 0.00 -0.42 0.00 0.00 29.97 31.33 3kem h ARG 184 CO 0.18 1.25 -0.67 1.19 -1.51 0.00 0.00 179.97 180.41 3kem n PHE 185 N -3.55 2.55 0.20 2.20 3.01 0.17 -4.98 117.46 117.07 3kem n PHE 185 Ca -0.18 -4.08 0.18 0.00 1.01 0.00 0.00 57.45 54.37 3kem n PHE 185 Cb 1.06 -0.47 0.75 0.00 -0.01 0.00 0.00 39.48 40.82 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 4.95 0.00 -0.72 -1.08 0.13 -1.67 -1.90 132.00 131.72 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 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 3kem h PRO 186 CO 0.69 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 180.09 3kem n LYS 187 N -3.30 3.02 -2.17 0.86 5.02 -1.26 -4.98 118.16 115.35 3kem n LYS 187 Ca 0.03 -2.75 -0.38 0.00 -2.02 0.00 0.00 58.31 53.19 3kem n LYS 187 Cb 0.54 -1.67 -0.01 0.00 -0.02 0.00 0.00 35.03 33.87 3kem n LYS 187 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3kem s ILE 188 N -1.23 2.88 0.05 -0.18 2.07 -0.71 -4.62 121.20 119.45 3kem s ILE 188 Ca 0.50 0.74 0.07 0.00 -1.41 0.00 0.00 60.65 60.55 3kem s ILE 188 Cb 0.28 -3.41 -0.03 0.00 0.13 0.00 0.00 42.46 39.42 3kem s ILE 188 CO 0.31 0.07 -0.16 -0.69 -1.91 0.00 0.00 174.94 172.56 3kem s VAL 189 N -1.37 2.97 0.00 4.00 1.01 0.75 -4.98 120.40 122.78 3kem s VAL 189 Ca 0.59 -1.15 0.00 0.00 0.00 0.00 0.00 61.98 61.42 3kem s VAL 189 Cb -0.34 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.77 3kem s VAL 189 CO 0.42 0.31 0.00 0.61 0.00 0.00 0.00 175.10 176.44 3kem n GLY 190 N 1.43 1.93 3.56 4.51 0.00 -1.26 -1.26 105.19 114.10 3kem n GLY 190 Ca -0.16 -1.00 -0.30 0.00 0.00 0.00 0.00 46.02 44.56 3kem n GLY 190 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3kem s PRO 191 N -1.99 -1.49 0.30 1.61 0.04 -1.26 -4.90 135.00 127.31 3kem s PRO 191 Ca 0.00 -0.09 -0.00 0.00 0.04 0.00 0.00 61.00 60.95 3kem s PRO 191 Cb 0.00 -1.57 0.51 0.00 0.04 0.00 0.00 34.50 33.48 3kem s PRO 191 CO 0.00 -3.89 1.93 0.00 0.04 0.00 0.00 177.00 175.09 3kem h ARG 192 N -2.71 1.02 0.00 4.56 3.08 -2.02 -3.42 114.38 114.90 3kem h ARG 192 Ca -0.44 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.55 3kem h ARG 192 Cb 1.29 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3kem h ARG 192 CO 0.32 0.68 0.00 1.17 -1.07 0.00 0.00 179.97 181.06 3kem n LYS 193 N -4.46 0.00 -1.95 0.04 4.81 -1.26 -5.17 118.16 110.17 3kem n LYS 193 Ca 0.12 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.53 3kem n LYS 193 Cb 0.14 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.20 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 -2.32 -0.76 -1.07 3.14 5.68 -1.26 -5.04 116.55 114.92 3kem n ASP 194 Ca 0.00 -1.52 0.10 0.00 -0.50 0.00 0.00 54.79 52.87 3kem n ASP 194 Cb 0.00 1.27 0.22 0.00 -1.14 0.00 0.00 41.12 41.46 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 -1.16 3.39 -4.69 -1.12 10.43 -1.26 -4.88 116.55 117.26 3kem n ASP 195 Ca -0.03 -1.95 -0.42 0.00 2.57 0.00 0.00 54.79 54.96 3kem n ASP 195 Cb 0.20 -0.29 -0.03 0.00 1.84 0.00 0.00 41.12 42.84 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 -1.25 2.76 0.79 0.53 1.09 -1.26 -4.35 121.20 119.51 3kem s ILE 196 Ca 0.37 0.29 -0.11 0.00 -1.10 0.00 0.00 60.65 60.09 3kem s ILE 196 Cb 0.21 -3.19 0.07 0.00 -1.06 0.00 0.00 42.46 38.49 3kem s ILE 196 CO 0.28 0.00 1.09 0.00 -0.10 0.00 0.00 174.94 176.21 3kem h TYR 198 N -1.11 0.42 -0.55 0.00 -0.00 -1.92 -1.19 116.97 112.62 3kem h TYR 198 Ca -0.46 0.03 -0.01 0.00 0.00 0.00 0.00 58.73 58.28 3kem h TYR 198 Cb 1.25 -0.09 -0.03 0.00 0.00 0.00 0.00 36.73 37.87 3kem h TYR 198 CO 0.50 0.10 0.29 0.00 -0.00 0.00 0.00 178.16 179.05 3kem h ALA 199 N 1.44 0.70 -0.53 0.10 0.00 -1.95 0.22 119.26 119.23 3kem h ALA 199 Ca 0.32 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 3kem h ALA 199 Cb 0.41 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3kem h ALA 199 CO -0.32 0.23 -0.14 1.15 0.00 0.00 0.00 179.25 180.17 3kem h THR 200 N 0.73 1.27 -0.15 0.00 2.02 -1.74 -1.03 112.91 114.01 3kem h THR 200 Ca 0.19 -1.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.05 3kem h THR 200 Cb 0.07 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 3kem h THR 200 CO -0.03 0.46 0.04 0.74 0.37 0.00 0.00 175.52 177.11 3kem h THR 201 N 0.91 1.19 -0.63 3.16 2.02 -0.89 -2.34 112.91 116.33 3kem h THR 201 Ca 0.13 -0.58 -0.08 0.00 0.77 0.00 0.00 66.41 66.65 3kem h THR 201 Cb 0.72 1.29 -0.03 0.00 -1.74 0.00 0.00 68.15 68.39 3kem h THR 201 CO 0.05 0.18 0.08 0.78 0.37 0.00 0.00 175.52 176.98 3kem h ASN 202 N 0.06 1.01 -0.02 4.18 2.35 -0.47 -1.20 115.58 121.48 3kem h ASN 202 Ca 0.05 -0.24 -0.11 0.00 -0.55 0.00 0.00 56.30 55.44 3kem h ASN 202 Cb 0.23 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 3kem h ASN 202 CO -0.00 1.02 -0.32 0.03 -1.65 0.00 0.00 177.43 176.50 3kem h ARG 203 N 0.98 0.49 -0.29 0.81 3.08 -1.15 0.19 114.38 118.49 3kem h ARG 203 Ca 0.19 -0.21 -0.15 0.00 0.07 0.00 0.00 59.98 59.88 3kem h ARG 203 Cb 0.45 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.48 3kem h ARG 203 CO 0.02 0.76 -0.38 1.96 -1.07 0.00 0.00 179.97 181.25 3kem h GLN 204 N 0.42 0.78 -0.86 0.04 4.20 -1.23 0.57 115.11 119.03 3kem h GLN 204 Ca 0.05 -0.44 -0.02 0.00 0.06 0.00 0.00 58.65 58.30 3kem h GLN 204 Cb 0.77 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.54 3kem h GLN 204 CO 0.06 1.07 0.46 1.49 -0.67 0.00 0.00 178.83 181.24 3kem h GLU 205 N 0.53 1.21 -0.50 1.46 4.81 -0.99 -1.69 114.58 119.42 3kem h GLU 205 Ca 0.03 -0.15 -0.13 0.00 -0.13 0.00 0.00 59.36 58.99 3kem h GLU 205 Cb 0.97 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 3kem h GLU 205 CO 0.09 0.90 -0.18 0.00 -0.73 0.00 0.00 179.01 179.09 3kem h ALA 206 N 1.25 0.69 0.00 2.92 0.00 -0.34 -2.66 119.26 121.12 3kem h ALA 206 Ca 0.30 -0.38 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 3kem h ALA 206 Cb 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3kem h ALA 206 CO -0.05 0.66 -0.41 -0.24 0.00 0.00 0.00 179.25 179.22 3kem h VAL 207 N 0.86 0.91 -0.27 0.00 3.04 -0.70 -1.65 116.25 118.44 3kem h VAL 207 Ca 0.12 -1.66 -0.04 0.00 -1.01 0.00 0.00 66.70 64.11 3kem h VAL 207 Cb 0.76 2.01 -0.01 0.00 -2.01 0.00 0.00 31.29 32.04 3kem h VAL 207 CO 0.06 0.40 0.03 -0.09 -1.01 0.00 0.00 177.57 176.96 3kem h ARG 208 N 0.00 0.46 -0.57 4.17 2.43 -1.11 0.13 114.38 119.89 3kem h ARG 208 Ca -0.00 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.00 3kem h ARG 208 Cb 0.98 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.46 3kem h ARG 208 CO 0.05 0.59 0.23 0.00 -1.51 0.00 0.00 179.97 179.33 3kem h ALA 209 N 0.85 0.74 -0.23 2.80 0.00 -1.33 -2.60 119.26 119.49 3kem h ALA 209 Ca 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3kem h ALA 209 Cb 0.36 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3kem h ALA 209 CO 0.01 0.35 0.14 1.25 0.00 0.00 0.00 179.25 181.00 3kem h LEU 210 N 0.78 0.26 -1.03 0.00 5.85 -1.07 -3.03 115.31 117.07 3kem h LEU 210 Ca 0.19 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.94 3kem h LEU 210 Cb 0.20 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 3kem h LEU 210 CO -0.02 0.21 0.64 0.00 -0.34 0.00 0.00 178.44 178.94 3kem h ALA 211 N 1.06 1.41 0.00 1.25 0.00 -0.57 -1.17 119.26 121.24 3kem h ALA 211 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3kem h ALA 211 Cb -0.01 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.47 3kem h ALA 211 CO -0.02 0.45 0.00 -0.85 0.00 0.00 0.00 179.25 178.83 3kem n GLU 212 N -4.49 0.82 0.00 0.00 0.28 -1.00 -2.97 120.64 113.29 3kem n GLU 212 Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.15 3kem n GLU 212 Cb 0.17 -1.26 0.00 0.00 1.43 0.00 0.00 31.44 31.79 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 0.33 0.62 -4.22 3.44 7.27 -0.63 -5.08 117.38 119.12 3kem n GLN 213 Ca 0.00 0.00 -0.33 0.00 0.07 0.00 0.00 57.00 56.74 3kem n GLN 213 Cb 0.30 -0.38 -0.08 0.00 2.41 0.00 0.00 30.24 32.49 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 -0.86 3.40 0.03 1.69 0.00 -0.54 -4.89 121.76 120.58 3kem s ALA 214 Ca 0.00 -0.91 -0.17 0.00 0.00 0.00 0.00 51.96 50.88 3kem s ALA 214 Cb 0.00 -1.44 -0.28 0.00 0.00 0.00 0.00 23.12 21.40 3kem s ALA 214 CO 0.00 0.66 1.08 0.93 0.00 0.00 0.00 175.76 178.43 3kem h GLU 215 N 4.29 0.54 -5.98 0.00 5.08 -1.13 -3.45 114.58 113.94 3kem h GLU 215 Ca -0.49 -0.71 -0.65 0.00 -1.00 0.00 0.00 59.36 56.51 3kem h GLU 215 Cb 1.18 0.23 -0.31 0.00 0.50 0.00 0.00 28.75 30.35 3kem h GLU 215 CO 0.59 1.30 -0.87 0.08 -1.00 0.00 0.00 179.01 179.11 3kem s VAL 216 N -2.97 1.87 -0.14 3.13 1.01 -1.22 -3.49 120.40 118.58 3kem s VAL 216 Ca -0.11 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 60.91 3kem s VAL 216 Cb 0.05 -1.57 -0.00 0.00 0.00 0.00 0.00 36.38 34.85 3kem s VAL 216 CO 0.90 0.52 -0.18 -0.69 0.00 0.00 0.00 175.10 175.65 3kem s VAL 217 N -0.26 2.49 -0.27 2.92 1.01 -0.19 -0.01 120.40 126.09 3kem s VAL 217 Ca 0.01 -0.84 -0.07 0.00 0.00 0.00 0.00 61.98 61.07 3kem s VAL 217 Cb -0.12 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.22 3kem s VAL 217 CO 0.02 0.53 0.08 -0.76 0.00 0.00 0.00 175.10 174.97 3kem s LEU 218 N 0.70 3.59 -0.32 3.92 1.43 0.12 -1.09 118.68 127.03 3kem s LEU 218 Ca -0.08 -0.36 -0.09 0.00 -1.03 0.00 0.00 54.13 52.57 3kem s LEU 218 Cb -0.16 -1.92 0.01 0.00 0.03 0.00 0.00 46.19 44.15 3kem s LEU 218 CO 0.01 -0.09 0.14 -0.69 0.23 0.00 0.00 176.35 175.96 3kem s VAL 219 N 1.59 4.38 -0.38 -1.59 1.01 0.35 -1.06 120.40 124.70 3kem s VAL 219 Ca 0.05 -0.62 -0.29 0.00 0.00 0.00 0.00 61.98 61.12 3kem s VAL 219 Cb -0.16 -3.30 0.02 0.00 0.00 0.00 0.00 36.38 32.94 3kem s VAL 219 CO 0.03 -0.01 1.13 -0.69 0.00 0.00 0.00 175.10 175.56 3kem s VAL 220 N 1.56 4.34 -0.29 2.92 1.01 -0.08 -1.51 120.40 128.36 3kem s VAL 220 Ca 0.03 1.48 -0.39 0.00 0.00 0.00 0.00 61.98 63.11 3kem s VAL 220 Cb -0.18 -4.47 0.16 0.00 0.00 0.00 0.00 36.38 31.89 3kem s VAL 220 CO 0.05 -0.70 1.39 -0.83 0.00 0.00 0.00 175.10 175.01 3kem s GLY 221 N 2.12 -0.21 0.51 4.51 0.00 -0.36 -0.98 107.32 112.91 3kem s GLY 221 Ca 0.48 1.89 -0.09 0.00 0.00 0.00 0.00 44.72 47.00 3kem s GLY 221 CO 0.23 0.63 0.88 -0.56 0.00 0.00 0.00 173.10 174.27 3kem s SER 222 N -2.04 6.36 0.41 1.64 0.01 -1.26 -3.91 113.70 114.90 3kem s SER 222 Ca 0.12 1.20 0.14 0.00 1.31 0.00 0.00 55.95 58.71 3kem s SER 222 Cb -0.01 -2.36 0.99 0.00 0.21 0.00 0.00 66.02 64.85 3kem s SER 222 CO -0.02 -0.62 1.92 0.11 0.41 0.00 0.00 173.24 175.04 3kem h LYS 223 N 0.39 0.47 -0.47 12.44 6.56 -1.94 -1.38 116.57 132.64 3kem h LYS 223 Ca -0.46 -0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.10 3kem h LYS 223 Cb 1.19 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.75 3kem h LYS 223 CO 0.62 0.31 0.00 0.27 -2.06 0.00 0.00 179.45 178.59 3kem n ASN 224 N -4.49 2.43 -4.53 0.86 6.94 -1.26 -4.82 115.26 110.39 3kem n ASN 224 Ca 0.14 -2.09 -0.43 0.00 -0.02 0.00 0.00 54.58 52.18 3kem n ASN 224 Cb 0.47 -0.33 -0.06 0.00 -2.36 0.00 0.00 39.78 37.50 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 -0.90 6.36 0.12 0.53 0.15 -0.52 -4.91 113.70 114.53 3kem s SER 225 Ca 0.28 -0.23 -0.24 0.00 0.70 0.00 0.00 55.95 56.46 3kem s SER 225 Cb 0.16 -2.34 -0.06 0.00 -1.71 0.00 0.00 66.02 62.07 3kem s SER 225 CO 0.17 -0.79 1.67 -1.28 1.20 0.00 0.00 173.24 174.21 3kem h SER 226 N 8.85 -0.44 -0.30 5.45 0.87 -1.88 -2.28 113.55 123.83 3kem h SER 226 Ca -0.25 0.07 -0.06 0.00 -1.23 0.00 0.00 61.79 60.32 3kem h SER 226 Cb 1.09 0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 63.22 3kem h SER 226 CO 0.90 -0.21 0.01 -0.55 -0.53 0.00 0.00 176.83 176.45 3kem h ASN 227 N -0.24 0.60 -0.43 6.23 7.08 -1.93 -2.61 115.58 124.28 3kem h ASN 227 Ca 0.05 -0.12 -0.02 0.00 -3.08 0.00 0.00 56.30 53.13 3kem h ASN 227 Cb 0.31 -0.16 -0.02 0.00 -2.08 0.00 0.00 38.32 36.38 3kem h ASN 227 CO -0.16 0.67 0.17 0.28 -2.08 0.00 0.00 177.43 176.32 3kem h SER 228 N 0.60 0.59 -0.90 6.14 0.02 -1.85 -2.74 113.55 115.42 3kem h SER 228 Ca 0.13 -0.17 0.03 0.00 -0.84 0.00 0.00 61.79 60.94 3kem h SER 228 Cb 0.37 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 62.70 3kem h SER 228 CO 0.01 0.60 0.58 0.78 -1.14 0.00 0.00 176.83 177.66 3kem h ASN 229 N 0.55 0.97 -0.68 3.07 4.21 -1.15 -1.71 115.58 120.84 3kem h ASN 229 Ca 0.14 -0.01 0.03 0.00 1.21 0.00 0.00 56.30 57.68 3kem h ASN 229 Cb 0.19 -0.22 -0.04 0.00 -1.12 0.00 0.00 38.32 37.13 3kem h ASN 229 CO -0.01 0.66 0.45 0.03 -1.29 0.00 0.00 177.43 177.27 3kem h ARG 230 N 1.13 0.80 -0.28 0.81 2.47 -1.19 -0.07 114.38 118.05 3kem h ARG 230 Ca 0.36 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 59.02 3kem h ARG 230 Cb 0.00 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.13 3kem h ARG 230 CO -0.12 0.53 0.14 -0.07 0.56 0.00 0.00 179.97 181.01 3kem h LEU 231 N 0.83 0.37 -0.31 3.04 4.07 -1.05 -1.29 115.31 120.97 3kem h LEU 231 Ca 0.27 -0.12 -0.02 0.00 0.08 0.00 0.00 57.88 58.09 3kem h LEU 231 Cb 0.05 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.68 3kem h LEU 231 CO -0.07 0.38 0.10 0.00 -1.08 0.00 0.00 178.44 177.76 3kem h ALA 232 N 1.00 0.40 -0.03 1.53 0.00 -1.02 -2.88 119.26 118.27 3kem h ALA 232 Ca 0.10 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.89 3kem h ALA 232 Cb 0.11 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 3kem h ALA 232 CO -0.01 0.04 -0.23 0.93 0.00 0.00 0.00 179.25 179.98 3kem h GLU 233 N 0.34 -0.33 -0.52 0.00 5.08 -0.88 -0.57 114.58 117.70 3kem h GLU 233 Ca 0.10 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.59 3kem h GLU 233 Cb 0.24 0.08 -0.09 0.00 0.50 0.00 0.00 28.75 29.48 3kem h GLU 233 CO -0.00 -0.22 -0.03 1.25 -1.00 0.00 0.00 179.01 179.01 3kem h LEU 234 N -0.34 -0.28 -0.37 1.33 6.46 -1.19 0.33 115.31 121.25 3kem h LEU 234 Ca 0.07 0.13 -0.04 0.00 -0.12 0.00 0.00 57.88 57.93 3kem h LEU 234 Cb 0.44 0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.60 3kem h LEU 234 CO -0.23 -0.10 0.09 0.00 -0.62 0.00 0.00 178.44 177.58 3kem h ALA 235 N 1.48 0.49 -0.58 1.25 0.00 -1.26 -2.73 119.26 117.91 3kem h ALA 235 Ca 0.26 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3kem h ALA 235 Cb 0.41 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 3kem h ALA 235 CO -0.46 0.16 0.34 1.96 0.00 0.00 0.00 179.25 181.25 3kem h GLN 236 N 0.45 0.65 0.00 0.00 4.20 -0.06 -0.57 115.11 119.79 3kem h GLN 236 Ca 0.12 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3kem h GLN 236 Cb 0.30 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.93 3kem h GLN 236 CO 0.00 0.43 0.00 0.54 -0.67 0.00 0.00 178.83 179.13 3kem n ARG 237 N -4.77 0.05 -0.52 1.46 1.74 0.11 -1.20 116.66 113.52 3kem n ARG 237 Ca 0.05 0.28 0.10 0.00 -0.77 0.00 0.00 57.85 57.52 3kem n ARG 237 Cb 0.09 -1.50 0.35 0.00 -1.02 0.00 0.00 32.46 30.38 3kem n ARG 237 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3kem n MET 238 N -1.43 3.33 -0.68 5.56 2.81 -0.25 -4.92 117.12 121.53 3kem n MET 238 Ca 0.03 -2.80 0.00 0.00 -1.81 0.00 0.00 57.70 53.12 3kem n MET 238 Cb 0.11 -1.77 0.00 0.00 -0.71 0.00 0.00 33.22 30.85 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 1.38 0.65 3.74 3.03 0.00 -0.34 -5.04 105.19 108.62 3kem n GLY 239 Ca 0.26 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.39 2.93 0.05 1.61 -0.14 -1.03 -5.03 119.74 117.74 3kem s LYS 240 Ca 0.00 -0.56 -0.30 0.00 -1.36 0.00 0.00 55.97 53.74 3kem s LYS 240 Cb 0.00 -2.77 -0.05 0.00 -1.68 0.00 0.00 37.83 33.33 3kem s LYS 240 CO 0.00 0.63 1.17 1.03 -0.76 0.00 0.00 175.35 177.41 3kem s ARG 241 N -1.76 4.45 -0.00 1.68 0.52 -1.23 -3.66 118.95 118.95 3kem s ARG 241 Ca 0.22 1.71 0.02 0.00 -0.52 0.00 0.00 55.73 57.17 3kem s ARG 241 Cb -0.12 -3.37 -0.01 0.00 0.52 0.00 0.00 34.95 31.97 3kem s ARG 241 CO 0.14 -0.23 -0.08 0.00 0.02 0.00 0.00 175.30 175.14 3kem s ALA 242 N 1.10 0.67 0.00 2.13 0.00 -1.26 -1.02 121.76 123.37 3kem s ALA 242 Ca 0.58 -0.38 0.04 0.00 0.00 0.00 0.00 51.96 52.20 3kem s ALA 242 Cb -0.28 -0.15 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 3kem s ALA 242 CO 0.29 0.15 -0.13 -0.06 0.00 0.00 0.00 175.76 176.01 3kem s PHE 243 N -0.28 1.17 -0.31 0.00 0.40 -0.25 -4.98 117.98 113.73 3kem s PHE 243 Ca 0.02 -0.25 -0.14 0.00 -0.60 0.00 0.00 56.93 55.96 3kem s PHE 243 Cb -0.04 -0.74 -0.02 0.00 0.51 0.00 0.00 43.02 42.73 3kem s PHE 243 CO -0.00 -0.01 0.33 -1.17 0.70 0.00 0.00 175.22 175.07 3kem s LEU 244 N -0.52 4.28 0.04 -0.37 0.20 -1.26 -0.50 118.68 120.55 3kem s LEU 244 Ca 0.04 -0.08 0.05 0.00 0.69 0.00 0.00 54.13 54.84 3kem s LEU 244 Cb -0.06 -2.31 -0.02 0.00 -0.43 0.00 0.00 46.19 43.37 3kem s LEU 244 CO -0.00 -0.25 -0.15 0.27 -0.29 0.00 0.00 176.35 175.93 3kem s ILE 245 N 1.97 1.19 0.02 6.68 -0.00 -0.57 -4.93 121.20 125.55 3kem s ILE 245 Ca 0.11 -1.03 0.10 0.00 -0.00 0.00 0.00 60.65 59.83 3kem s ILE 245 Cb -0.16 -1.07 -0.14 0.00 -0.00 0.00 0.00 42.46 41.08 3kem s ILE 245 CO 0.11 0.03 1.21 0.44 -0.00 0.00 0.00 174.94 176.73 3kem h ASP 246 N 4.90 0.00 -5.43 4.36 3.32 -1.88 -0.95 116.42 120.74 3kem h ASP 246 Ca -0.39 0.00 0.19 0.00 0.02 0.00 0.00 57.03 56.85 3kem h ASP 246 Cb 1.18 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.67 3kem h ASP 246 CO 0.44 0.86 0.58 1.51 -1.72 0.00 0.00 179.24 180.91 3kem s ASP 247 N -6.51 -0.06 0.47 6.45 1.47 -1.26 -4.80 116.67 112.43 3kem s ASP 247 Ca 0.01 -0.52 0.24 0.00 1.18 0.00 0.00 52.55 53.46 3kem s ASP 247 Cb 0.09 0.46 1.28 0.00 -0.34 0.00 0.00 42.92 44.41 3kem s ASP 247 CO 0.80 -0.88 1.86 0.00 0.68 0.00 0.00 175.17 177.63 3kem h ALA 248 N 2.00 2.52 0.00 2.11 0.00 -1.84 -1.16 119.26 122.90 3kem h ALA 248 Ca -0.26 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3kem h ALA 248 Cb 1.22 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.04 3kem h ALA 248 CO 0.31 -0.81 -0.00 0.87 0.00 0.00 0.00 179.25 179.63 3kem h LYS 249 N 0.21 0.00 0.00 0.00 1.57 -1.96 -1.70 116.57 114.69 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 1.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.79 3kem h LYS 249 CO -0.11 0.00 0.00 -0.44 -0.57 0.00 0.00 179.45 178.33 3kem h ASP 250 N 0.00 0.00 -2.57 0.86 3.32 -1.62 -3.45 116.42 112.95 3kem h ASP 250 Ca -0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 3kem h ASP 250 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3kem h ASP 250 CO 0.00 0.00 1.11 -0.63 -1.72 0.00 0.00 179.24 178.00 3kem s ILE 251 N -3.19 3.43 -0.19 0.35 1.09 -0.64 -4.99 121.20 117.05 3kem s ILE 251 Ca 0.08 0.56 -0.10 0.00 -1.10 0.00 0.00 60.65 60.09 3kem s ILE 251 Cb 0.08 -3.36 -0.05 0.00 -1.06 0.00 0.00 42.46 38.07 3kem s ILE 251 CO 0.63 -0.05 0.13 -1.10 -0.10 0.00 0.00 174.94 174.45 3kem s GLN 252 N 4.00 4.08 0.30 2.79 -0.21 -1.26 -5.00 119.66 124.35 3kem s GLN 252 Ca 0.76 -0.21 0.05 0.00 0.02 0.00 0.00 55.36 55.98 3kem s GLN 252 Cb -0.36 -3.39 0.75 0.00 1.00 0.00 0.00 33.01 31.02 3kem s GLN 252 CO 0.32 0.37 1.71 0.93 -2.12 0.00 0.00 175.29 176.50 3kem h GLU 253 N 6.43 0.46 -0.24 2.91 5.08 -2.00 -0.87 114.58 126.34 3kem h GLU 253 Ca -0.43 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 57.97 3kem h GLU 253 Cb 1.16 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 3kem h GLU 253 CO 0.73 0.30 0.18 1.49 -1.00 0.00 0.00 179.01 180.72 3kem h GLU 254 N 0.47 0.00 -0.95 2.33 4.22 -1.96 -1.55 114.58 117.14 3kem h GLU 254 Ca 0.57 0.00 0.02 0.00 0.08 0.00 0.00 59.36 60.03 3kem h GLU 254 Cb 1.06 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.26 3kem h GLU 254 CO -0.50 0.00 0.63 -1.49 -2.18 0.00 0.00 179.01 175.47 3kem h TRP 255 N 0.00 1.18 -0.16 0.92 6.55 -1.57 -3.08 115.95 119.79 3kem h TRP 255 Ca 0.11 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.98 3kem h TRP 255 Cb 0.47 -0.40 0.00 0.00 -0.86 0.00 0.00 29.16 28.37 3kem h TRP 255 CO 0.00 0.72 0.00 1.33 -1.05 0.00 0.00 178.44 179.44 3kem n VAL 256 N -4.41 0.36 -1.68 1.49 0.24 -0.84 -4.91 118.33 108.58 3kem n VAL 256 Ca 0.12 -0.68 -0.45 0.00 -2.04 0.00 0.00 64.34 61.28 3kem n VAL 256 Cb 0.04 1.00 -0.04 0.00 -1.47 0.00 0.00 33.84 33.37 3kem n VAL 256 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3kem n LYS 257 N 0.73 2.47 -2.08 7.34 4.81 -0.64 -1.38 118.16 129.42 3kem n LYS 257 Ca 0.10 0.90 -0.18 0.00 -0.87 0.00 0.00 58.31 58.26 3kem n LYS 257 Cb 0.38 -2.77 -0.03 0.00 0.02 0.00 0.00 35.03 32.62 3kem n LYS 257 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3kem n GLU 258 N 6.14 -1.40 -3.46 1.64 1.02 -1.26 -4.97 120.64 118.35 3kem n GLU 258 Ca 0.20 0.98 -0.38 0.00 -0.02 0.00 0.00 57.16 57.93 3kem n GLU 258 Cb 0.34 -5.42 -0.09 0.00 -0.02 0.00 0.00 31.44 26.25 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 -2.84 5.23 -0.32 2.62 1.01 -0.48 -4.97 120.40 120.65 3kem s VAL 259 Ca 0.00 0.49 0.20 0.00 0.00 0.00 0.00 61.98 62.66 3kem s VAL 259 Cb 0.00 -3.65 0.22 0.00 0.00 0.00 0.00 36.38 32.95 3kem s VAL 259 CO 0.00 0.22 1.52 0.11 0.00 0.00 0.00 175.10 176.95 3kem h LYS 260 N 7.92 0.00 -2.49 2.72 1.57 -1.93 -3.42 116.57 120.93 3kem h LYS 260 Ca -0.34 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.28 3kem h LYS 260 Cb 1.17 0.00 -0.30 0.00 0.08 0.00 0.00 32.23 33.18 3kem h LYS 260 CO 0.65 0.19 -0.46 0.00 -0.57 0.00 0.00 179.45 179.26 3kem s VAL 262 N 2.52 2.46 0.03 0.00 0.11 -0.59 -0.58 120.40 124.34 3kem s VAL 262 Ca 0.03 -0.93 0.04 0.00 -2.93 0.00 0.00 61.98 58.19 3kem s VAL 262 Cb -0.13 -1.93 -0.04 0.00 -1.53 0.00 0.00 36.38 32.76 3kem s VAL 262 CO -0.12 0.57 -0.05 -0.83 -3.33 0.00 0.00 175.10 171.35 3kem s GLY 263 N -0.35 1.81 -0.02 6.54 0.00 0.98 -1.30 107.32 114.98 3kem s GLY 263 Ca 0.02 -1.05 0.02 0.00 0.00 0.00 0.00 44.72 43.71 3kem s GLY 263 CO 0.02 -0.95 -0.08 0.54 0.00 0.00 0.00 173.10 172.63 3kem s VAL 264 N -1.10 0.65 0.28 1.40 0.11 0.52 0.12 120.40 122.38 3kem s VAL 264 Ca 0.20 -0.31 0.06 0.00 -2.93 0.00 0.00 61.98 59.00 3kem s VAL 264 Cb -0.11 -0.57 -0.02 0.00 -1.53 0.00 0.00 36.38 34.14 3kem s VAL 264 CO 0.11 0.20 0.23 1.07 -3.33 0.00 0.00 175.10 173.38 3kem n THR 265 N 3.18 0.00 -3.80 5.04 5.66 -0.22 -1.51 114.28 122.62 3kem n THR 265 Ca -0.17 -2.03 -0.12 0.00 -3.05 0.00 0.00 64.05 58.68 3kem n THR 265 Cb 0.55 1.00 -0.10 0.00 -1.55 0.00 0.00 70.33 70.23 3kem n THR 265 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3kem s ALA 266 N -3.12 -0.58 1.03 1.79 0.00 -1.26 -0.90 121.76 118.72 3kem s ALA 266 Ca 0.32 0.35 -0.14 0.00 0.00 0.00 0.00 51.96 52.50 3kem s ALA 266 Cb 0.02 -0.12 0.20 0.00 0.00 0.00 0.00 23.12 23.21 3kem s ALA 266 CO 0.23 -0.18 1.11 0.20 0.00 0.00 0.00 175.76 177.11 3kem s GLY 267 N -0.72 1.57 0.38 0.00 0.00 -0.15 -1.04 107.32 107.36 3kem s GLY 267 Ca -0.08 -0.52 0.27 0.00 0.00 0.00 0.00 44.72 44.39 3kem s GLY 267 CO 0.02 0.14 1.82 0.00 0.00 0.00 0.00 173.10 175.08 3kem h ALA 268 N -1.98 1.00 -0.32 3.20 0.00 -1.90 -2.71 119.26 116.55 3kem h ALA 268 Ca -0.53 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.38 3kem h ALA 268 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3kem h ALA 268 CO 0.54 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 178.66 3kem n SER 269 N -2.46 2.84 -4.59 0.00 3.41 -1.26 -2.62 113.62 108.94 3kem n SER 269 Ca -0.00 -1.90 -0.38 0.00 -0.26 0.00 0.00 58.87 56.32 3kem n SER 269 Cb 0.13 -0.21 -0.11 0.00 -0.26 0.00 0.00 64.21 63.77 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 -1.01 3.53 0.56 7.33 0.00 -1.02 -4.65 121.76 126.51 3kem s ALA 270 Ca 0.24 -1.07 -0.21 0.00 0.00 0.00 0.00 51.96 50.92 3kem s ALA 270 Cb 0.13 -2.53 -0.04 0.00 0.00 0.00 0.00 23.12 20.68 3kem s ALA 270 CO 0.17 -0.60 1.32 -2.14 0.00 0.00 0.00 175.76 174.51 3kem s PRO 271 N 1.80 3.06 0.41 0.00 0.02 -1.26 -3.86 135.00 135.17 3kem s PRO 271 Ca 0.08 2.13 0.09 0.00 0.02 0.00 0.00 61.00 63.33 3kem s PRO 271 Cb -0.16 -2.16 0.86 0.00 0.02 0.00 0.00 34.50 33.05 3kem s PRO 271 CO 0.11 -1.22 1.98 0.22 -0.33 0.00 0.00 177.00 177.76 3kem h ASP 272 N 1.28 0.27 -0.85 2.53 1.82 -1.98 -2.06 116.42 117.43 3kem h ASP 272 Ca -0.51 -0.04 0.18 0.00 -0.39 0.00 0.00 57.03 56.28 3kem h ASP 272 Cb 1.30 -0.07 -0.06 0.00 0.68 0.00 0.00 39.33 41.18 3kem h ASP 272 CO 0.56 0.33 0.57 -0.29 -1.61 0.00 0.00 179.24 178.80 3kem h ILE 273 N 0.29 0.73 -0.57 2.25 6.09 -1.99 0.25 117.51 124.57 3kem h ILE 273 Ca 0.07 -0.15 -0.10 0.00 -1.37 0.00 0.00 64.86 63.31 3kem h ILE 273 Cb 0.21 0.25 -0.02 0.00 0.47 0.00 0.00 36.82 37.74 3kem h ILE 273 CO 0.01 0.08 -0.04 -0.07 -3.07 0.00 0.00 178.15 175.06 3kem h LEU 274 N 0.44 0.99 -0.41 2.19 3.38 -1.74 -2.15 115.31 118.02 3kem h LEU 274 Ca 0.44 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 3kem h LEU 274 Cb 1.02 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 3kem h LEU 274 CO -0.16 1.07 -0.04 0.58 0.09 0.00 0.00 178.44 179.97 3kem h VAL 275 N 0.92 1.27 -0.94 1.22 2.07 -0.66 -1.83 116.25 118.31 3kem h VAL 275 Ca 0.16 -1.09 0.11 0.00 0.82 0.00 0.00 66.70 66.70 3kem h VAL 275 Cb 0.58 1.16 -0.08 0.00 -1.52 0.00 0.00 31.29 31.43 3kem h VAL 275 CO 0.03 0.37 0.57 1.56 0.02 0.00 0.00 177.57 180.12 3kem h GLN 276 N 0.57 0.89 -0.05 1.57 4.20 -0.79 0.14 115.11 121.64 3kem h GLN 276 Ca 0.11 -0.05 -0.15 0.00 0.06 0.00 0.00 58.65 58.62 3kem h GLN 276 Cb 0.54 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.11 3kem h GLN 276 CO 0.03 0.59 -0.64 -0.91 -0.67 0.00 0.00 178.83 177.22 3kem h ASN 277 N 0.92 0.22 -0.36 1.46 4.21 -1.16 -1.55 115.58 119.31 3kem h ASN 277 Ca 0.46 -0.13 -0.10 0.00 1.21 0.00 0.00 56.30 57.73 3kem h ASN 277 Cb 0.44 -0.06 -0.01 0.00 -1.12 0.00 0.00 38.32 37.57 3kem h ASN 277 CO -0.26 0.80 -0.18 0.58 -1.29 0.00 0.00 177.43 177.09 3kem h VAL 278 N 0.14 1.28 -0.58 2.81 2.07 -0.35 -0.95 116.25 120.66 3kem h VAL 278 Ca -0.01 -1.30 -0.00 0.00 0.82 0.00 0.00 66.70 66.20 3kem h VAL 278 Cb 1.16 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 32.25 3kem h VAL 278 CO 0.10 0.43 0.36 0.58 0.02 0.00 0.00 177.57 179.05 3kem h VAL 279 N 0.55 1.17 -0.44 2.57 2.07 -0.66 0.29 116.25 121.80 3kem h VAL 279 Ca 0.08 -0.38 0.04 0.00 0.82 0.00 0.00 66.70 67.26 3kem h VAL 279 Cb 0.72 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 3kem h VAL 279 CO 0.05 0.18 0.21 0.00 0.02 0.00 0.00 177.57 178.03 3kem h ALA 280 N 1.18 0.55 0.15 1.67 0.00 -0.99 0.56 119.26 122.38 3kem h ALA 280 Ca 0.21 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3kem h ALA 280 Cb -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3kem h ALA 280 CO -0.04 -0.15 -0.07 -0.09 0.00 0.00 0.00 179.25 178.90 3kem h ARG 281 N 0.43 -0.19 -1.00 0.00 9.65 -0.71 -1.94 114.38 120.61 3kem h ARG 281 Ca 0.19 0.01 0.12 0.00 -1.10 0.00 0.00 59.98 59.21 3kem h ARG 281 Cb 0.11 0.04 -0.08 0.00 -1.39 0.00 0.00 29.97 28.66 3kem h ARG 281 CO -0.15 -0.05 0.63 -0.07 2.80 0.00 0.00 179.97 183.14 3kem h LEU 282 N -0.30 0.93 -0.78 3.80 3.38 -0.58 -1.94 115.31 119.82 3kem h LEU 282 Ca -0.02 0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 3kem h LEU 282 Cb 0.24 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3kem h LEU 282 CO 0.03 0.50 -0.03 1.56 0.09 0.00 0.00 178.44 180.59 3kem h GLN 283 N 1.00 0.89 0.00 1.13 4.20 -0.58 -0.13 115.11 121.62 3kem h GLN 283 Ca 0.49 -0.27 0.00 0.00 0.06 0.00 0.00 58.65 58.93 3kem h GLN 283 Cb 0.48 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.18 3kem h GLN 283 CO -0.26 0.91 0.00 0.00 -0.67 0.00 0.00 178.83 178.81 3kem n GLN 284 N -4.18 0.46 -0.51 1.46 10.64 -0.76 -1.99 117.38 122.50 3kem n GLN 284 Ca 0.02 0.04 0.09 0.00 -1.83 0.00 0.00 57.00 55.32 3kem n GLN 284 Cb 0.34 -1.50 0.31 0.00 -0.86 0.00 0.00 30.24 28.53 3kem n GLN 284 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 3kem n LEU 285 N -1.22 4.34 0.00 2.61 4.32 -0.18 -4.92 117.00 121.96 3kem n LEU 285 Ca 0.14 -2.41 0.00 0.00 -0.02 0.00 0.00 56.01 53.72 3kem n LEU 285 Cb 0.17 -0.52 0.00 0.00 -1.62 0.00 0.00 43.42 41.46 3kem n LEU 285 CO 0.18 0.80 0.00 0.61 -1.22 0.00 0.00 177.39 177.76 3kem n GLY 286 N 0.89 1.69 3.78 -0.72 0.00 -0.84 -5.02 105.19 104.96 3kem n GLY 286 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 3kem n GLY 286 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3kem s GLY 287 N -2.19 2.17 0.00 -0.02 0.00 -0.51 -3.19 107.32 103.58 3kem s GLY 287 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 44.72 45.25 3kem s GLY 287 CO 0.00 0.88 0.00 0.61 0.00 0.00 0.00 173.10 174.59 3kem n GLY 288 N -0.57 2.28 3.77 0.20 0.00 -0.61 -4.39 105.19 105.88 3kem n GLY 288 Ca 0.10 -1.88 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 3kem n GLY 288 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kem s GLU 289 N 3.86 4.33 0.06 1.61 -6.30 -1.26 -4.73 118.70 116.27 3kem s GLU 289 Ca 0.00 2.25 -0.31 0.00 -2.50 0.00 0.00 54.97 54.41 3kem s GLU 289 Cb 0.00 -3.07 -0.06 0.00 0.00 0.00 0.00 34.13 31.00 3kem s GLU 289 CO 0.00 -0.24 1.32 0.00 0.02 0.00 0.00 175.26 176.36 3kem s ALA 290 N -0.98 3.52 -0.30 6.30 0.00 -1.26 -4.27 121.76 124.77 3kem s ALA 290 Ca 0.50 0.94 -0.09 0.00 0.00 0.00 0.00 51.96 53.31 3kem s ALA 290 Cb -0.40 -3.52 -0.01 0.00 0.00 0.00 0.00 23.12 19.19 3kem s ALA 290 CO 0.52 -0.64 0.12 0.42 0.00 0.00 0.00 175.76 176.18 3kem s ILE 291 N 1.50 4.43 0.10 0.00 -1.09 0.16 -4.97 121.20 121.33 3kem s ILE 291 Ca 0.62 -0.42 -0.29 0.00 -2.23 0.00 0.00 60.65 58.34 3kem s ILE 291 Cb -0.32 -3.23 -0.06 0.00 -1.58 0.00 0.00 42.46 37.27 3kem s ILE 291 CO 0.28 0.12 0.91 -2.84 -1.23 0.00 0.00 174.94 172.19 3kem s PRO 292 N 1.59 4.65 0.61 2.79 0.02 -1.26 -0.58 135.00 142.83 3kem s PRO 292 Ca 0.05 1.35 -0.09 0.00 0.02 0.00 0.00 61.00 62.32 3kem s PRO 292 Cb -0.17 -3.37 -0.02 0.00 0.02 0.00 0.00 34.50 30.96 3kem s PRO 292 CO 0.05 0.25 0.98 -0.51 -0.33 0.00 0.00 177.00 177.44 3kem s LEU 293 N -0.08 3.25 0.33 -5.54 1.43 -0.38 -4.89 118.68 112.78 3kem s LEU 293 Ca 0.44 1.21 -0.28 0.00 -1.03 0.00 0.00 54.13 54.47 3kem s LEU 293 Cb -0.23 -4.17 -0.09 0.00 0.03 0.00 0.00 46.19 41.73 3kem s LEU 293 CO 0.28 -0.92 1.16 -1.83 0.23 0.00 0.00 176.35 175.28 3kem s GLU 294 N -5.11 4.42 0.07 1.70 4.04 -1.26 -4.55 118.70 118.01 3kem s GLU 294 Ca 0.54 1.90 -0.16 0.00 0.04 0.00 0.00 54.97 57.28 3kem s GLU 294 Cb -0.11 -3.01 0.03 0.00 0.02 0.00 0.00 34.13 31.06 3kem s GLU 294 CO 0.51 -0.02 0.38 0.20 -1.84 0.00 0.00 175.26 174.49 3kem s GLY 295 N -0.88 -0.23 0.32 -3.83 0.00 -1.26 -4.75 107.32 96.69 3kem s GLY 295 Ca 0.49 0.09 -0.29 0.00 0.00 0.00 0.00 44.72 45.01 3kem s GLY 295 CO 0.43 -0.16 1.34 -2.13 0.00 0.00 0.00 173.10 172.57 3kem n ARG 296 N 0.23 2.15 -2.94 2.90 0.63 -1.26 -4.88 116.66 113.48 3kem n ARG 296 Ca -0.17 0.76 -0.37 0.00 -0.92 0.00 0.00 57.85 57.14 3kem n ARG 296 Cb 0.61 -2.37 -0.06 0.00 0.45 0.00 0.00 32.46 31.09 3kem n ARG 296 CO 0.00 0.00 0.00 -1.83 -2.51 0.00 0.00 177.63 173.29 3kem s GLU 297 N -1.46 4.44 -0.09 -0.14 -1.05 -1.26 -4.41 118.70 114.73 3kem s GLU 297 Ca 0.59 1.11 0.03 0.00 -0.15 0.00 0.00 54.97 56.54 3kem s GLU 297 Cb -0.58 -2.89 -0.02 0.00 -0.44 0.00 0.00 34.13 30.20 3kem s GLU 297 CO 0.59 0.37 -0.16 -1.21 0.95 0.00 0.00 175.26 175.79 3kem s GLU 298 N -1.91 2.92 -0.02 -4.83 2.02 -1.26 -5.01 118.70 110.61 3kem s GLU 298 Ca 0.45 -0.74 0.03 0.00 0.02 0.00 0.00 54.97 54.73 3kem s GLU 298 Cb -0.18 -2.44 0.05 0.00 0.10 0.00 0.00 34.13 31.66 3kem s GLU 298 CO 0.23 0.37 0.87 0.27 0.02 0.00 0.00 175.26 177.02 3kem n ASN 299 N 3.03 0.75 -4.76 -0.19 0.23 -1.26 -5.07 115.26 107.98 3kem n ASN 299 Ca -0.18 -1.88 -0.40 0.00 -0.53 0.00 0.00 54.58 51.60 3kem n ASN 299 Cb 0.52 -0.14 -0.06 0.00 -2.08 0.00 0.00 39.78 38.02 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 -0.68 4.50 -0.04 1.53 -1.09 -1.26 -5.05 121.20 119.11 3kem s ILE 300 Ca 0.06 1.71 -0.01 0.00 -2.23 0.00 0.00 60.65 60.17 3kem s ILE 300 Cb 0.05 -4.14 0.03 0.00 -1.58 0.00 0.00 42.46 36.82 3kem s ILE 300 CO 0.01 0.45 0.07 -0.69 -1.23 0.00 0.00 174.94 173.55 3kem s VAL 301 N -0.69 -0.07 -0.22 2.92 1.01 -1.26 -4.64 120.40 117.45 3kem s VAL 301 Ca 0.37 0.24 -0.07 0.00 0.00 0.00 0.00 61.98 62.53 3kem s VAL 301 Cb -0.22 -0.14 -0.03 0.00 0.00 0.00 0.00 36.38 35.99 3kem s VAL 301 CO 0.25 0.10 0.04 -0.36 0.00 0.00 0.00 175.10 175.14 3kem s PHE 302 N 1.29 3.09 0.47 5.22 2.99 -1.26 -5.10 117.98 124.67 3kem s PHE 302 Ca -0.07 -0.38 -0.18 0.00 0.00 0.00 0.00 56.93 56.31 3kem s PHE 302 Cb -0.12 -2.17 -0.09 0.00 0.00 0.00 0.00 43.02 40.64 3kem s PHE 302 CO -0.04 -0.26 0.95 -1.21 -0.00 0.00 0.00 175.22 174.66 3kem s GLU 303 N 1.26 4.04 0.53 0.44 2.02 -1.26 -4.61 118.70 121.13 3kem s GLU 303 Ca 0.04 0.97 -0.18 0.00 0.02 0.00 0.00 54.97 55.82 3kem s GLU 303 Cb -0.15 -2.18 -0.06 0.00 0.10 0.00 0.00 34.13 31.84 3kem s GLU 303 CO 0.03 -0.15 1.04 0.08 0.02 0.00 0.00 175.26 176.28 3kem s VAL 304 N -2.41 3.83 0.62 2.63 1.01 -1.26 -4.97 120.40 119.84 3kem s VAL 304 Ca 0.59 1.01 -0.19 0.00 0.00 0.00 0.00 61.98 63.40 3kem s VAL 304 Cb -0.10 -3.43 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 3kem s VAL 304 CO 0.24 -0.37 1.13 -0.81 0.00 0.00 0.00 175.10 175.29 3kem n PRO 305 N -1.45 1.05 -0.35 2.72 -0.04 -1.26 -4.83 135.00 130.85 3kem n PRO 305 Ca 0.09 0.41 0.10 0.00 -0.04 0.00 0.00 63.50 64.06 3kem n PRO 305 Cb 0.53 -2.35 0.29 0.00 -0.04 0.00 0.00 33.50 31.92 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 0.58 0.85 0.00 0.54 2.10 -1.99 0.28 116.57 118.93 3kem h LYS 306 Ca -0.50 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.10 3kem h LYS 306 Cb 1.35 -0.19 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 3kem h LYS 306 CO 0.52 0.56 0.01 0.39 -2.00 0.00 0.00 179.45 178.93 3kem n GLU 307 N -4.65 0.00 -0.07 0.07 1.02 -1.26 -1.87 120.64 113.88 3kem n GLU 307 Ca 0.20 0.29 0.02 0.00 -0.02 0.00 0.00 57.16 57.65 3kem n GLU 307 Cb 0.44 -1.51 0.03 0.00 -0.02 0.00 0.00 31.44 30.38 3kem n GLU 307 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3kem n LEU 308 N -1.29 1.32 -4.75 -4.62 4.77 0.08 -5.06 117.00 107.45 3kem n LEU 308 Ca 0.00 -1.57 -0.34 0.00 -0.03 0.00 0.00 56.01 54.08 3kem n LEU 308 Cb 0.01 -0.08 0.07 0.00 -2.33 0.00 0.00 43.42 41.08 3kem n LEU 308 CO 0.00 0.38 0.76 -0.13 -1.33 0.00 0.00 177.39 177.07 3kem s ARG 309 N -0.97 2.53 0.00 3.23 0.52 -0.78 -4.78 118.95 118.70 3kem s ARG 309 Ca 0.06 1.54 0.00 0.00 -0.52 0.00 0.00 55.73 56.81 3kem s ARG 309 Cb 0.05 -1.90 0.00 0.00 0.52 0.00 0.00 34.95 33.62 3kem s ARG 309 CO 0.01 -1.49 0.09 0.28 0.02 0.00 0.00 175.30 174.21