#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j9m s PRO 4 N 0.00 2.71 -0.18 1.64 0.04 -1.26 -5.04 135.00 132.91 1j9m s PRO 4 Ca 0.00 1.25 -0.08 0.00 0.04 0.00 0.00 61.00 62.20 1j9m s PRO 4 Cb 0.00 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 1j9m s PRO 4 CO 0.00 -1.30 0.11 0.99 0.04 0.00 0.00 177.00 176.84 1j9m s THR 5 N -2.61 5.21 0.17 1.26 2.01 -1.26 -5.05 115.64 115.36 1j9m s THR 5 Ca 0.64 0.11 0.07 0.00 0.31 0.00 0.00 61.69 62.82 1j9m s THR 5 Cb -0.18 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 1j9m s THR 5 CO 0.47 0.48 -0.16 0.27 -0.69 0.00 0.00 174.62 175.00 1j9m s ILE 6 N 0.07 1.63 0.17 1.82 -4.36 -1.26 -4.99 121.20 114.29 1j9m s ILE 6 Ca 0.08 -1.97 0.02 0.00 -0.26 0.00 0.00 60.65 58.52 1j9m s ILE 6 Cb -0.12 -1.83 -0.14 0.00 1.25 0.00 0.00 42.46 41.63 1j9m s ILE 6 CO -0.00 -0.45 1.39 0.00 0.24 0.00 0.00 174.94 176.12 1j9m h ALA 7 N 3.08 0.54 -2.85 2.27 0.00 -1.96 -3.46 119.26 116.88 1j9m h ALA 7 Ca -0.40 -0.70 -0.55 0.00 0.00 0.00 0.00 54.91 53.25 1j9m h ALA 7 Cb 1.21 -0.07 0.12 0.00 0.00 0.00 0.00 17.79 19.05 1j9m h ALA 7 CO 0.55 0.89 0.61 0.00 0.00 0.00 0.00 179.25 181.29 1j9m n ALA 8 N -2.47 1.71 1.34 0.00 0.00 -1.26 -4.61 120.51 115.22 1j9m n ALA 8 Ca -0.04 0.26 0.13 0.00 0.00 0.00 0.00 53.44 53.80 1j9m n ALA 8 Cb 0.79 -2.34 0.45 0.00 0.00 0.00 0.00 19.45 18.35 1j9m n ALA 8 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1j9m n VAL 9 N -0.18 0.00 -3.79 0.00 0.24 -1.09 -4.77 118.33 108.74 1j9m n VAL 9 Ca 0.06 -0.15 -0.15 0.00 -2.04 0.00 0.00 64.34 62.05 1j9m n VAL 9 Cb 0.40 0.37 -0.16 0.00 -1.47 0.00 0.00 33.84 32.98 1j9m n VAL 9 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1j9m s GLY 10 N -2.35 0.11 0.01 7.63 0.00 -1.00 -4.57 107.32 107.14 1j9m s GLY 10 Ca 0.29 0.28 -0.20 0.00 0.00 0.00 0.00 44.72 45.10 1j9m s GLY 10 CO 0.46 0.66 0.43 -0.32 0.00 0.00 0.00 173.10 174.33 1j9m s GLY 11 N 1.03 -0.30 -0.19 0.20 0.00 0.59 -0.43 107.32 108.22 1j9m s GLY 11 Ca -0.09 0.52 -0.28 0.00 0.00 0.00 0.00 44.72 44.88 1j9m s GLY 11 CO -0.03 0.26 0.86 -0.47 0.00 0.00 0.00 173.10 173.72 1j9m s TYR 12 N -1.84 -0.57 -0.10 1.90 5.04 -0.35 -1.54 117.35 119.89 1j9m s TYR 12 Ca -0.09 1.21 -0.17 0.00 -2.44 0.00 0.00 57.07 55.58 1j9m s TYR 12 Cb -0.02 0.37 0.04 0.00 0.35 0.00 0.00 41.96 42.70 1j9m s TYR 12 CO 0.02 -0.39 0.43 0.00 -1.34 0.00 0.00 175.55 174.28 1j9m s ALA 13 N -0.40 -1.08 0.16 3.97 0.00 -0.78 -0.46 121.76 123.18 1j9m s ALA 13 Ca -0.02 0.93 -0.06 0.00 0.00 0.00 0.00 51.96 52.81 1j9m s ALA 13 Cb -0.03 -0.34 -0.02 0.00 0.00 0.00 0.00 23.12 22.73 1j9m s ALA 13 CO 0.01 -0.25 0.20 0.00 0.00 0.00 0.00 175.76 175.72 1j9m s MET 14 N -0.53 1.10 -0.37 0.00 0.23 0.06 -0.27 119.30 119.52 1j9m s MET 14 Ca -0.06 -1.31 -0.28 0.00 -1.03 0.00 0.00 55.69 53.01 1j9m s MET 14 Cb -0.03 0.33 0.02 0.00 -1.53 0.00 0.00 34.83 33.61 1j9m s MET 14 CO 0.03 -0.38 1.02 1.21 -2.03 0.00 0.00 175.02 174.88 1j9m s ASN 15 N -3.02 6.77 0.42 -1.18 3.84 -0.03 -1.44 114.94 120.29 1j9m s ASN 15 Ca 0.22 0.74 0.11 0.00 0.21 0.00 0.00 52.86 54.13 1j9m s ASN 15 Cb 0.05 -2.51 0.93 0.00 -0.55 0.00 0.00 41.25 39.17 1j9m s ASN 15 CO 0.02 -0.94 2.00 -1.13 -2.79 0.00 0.00 177.10 174.26 1j9m h ASN 16 N 8.47 0.44 0.59 -4.21 -0.00 -1.17 0.24 115.58 119.95 1j9m h ASN 16 Ca -0.22 0.00 -0.21 0.00 -0.00 0.00 0.00 56.30 55.87 1j9m h ASN 16 Cb 1.07 -0.09 -0.01 0.00 -0.00 0.00 0.00 38.32 39.29 1j9m h ASN 16 CO 1.03 0.29 -0.94 1.23 -0.00 0.00 0.00 177.43 179.03 1j9m h GLY 17 N 0.50 0.24 0.00 1.57 0.00 -1.91 -3.37 103.07 100.10 1j9m h GLY 17 Ca 0.24 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 1j9m h GLY 17 CO -0.07 0.41 -1.74 -1.30 0.00 0.00 0.00 176.54 173.84 1j9m n THR 18 N -3.63 0.11 -0.30 4.70 -2.24 -1.09 -5.00 114.28 106.84 1j9m n THR 18 Ca -0.04 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1j9m n THR 18 Cb 0.85 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.14 1j9m n THR 18 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j9m n GLY 19 N 1.67 1.36 3.71 3.38 0.00 0.82 -5.02 105.19 111.11 1j9m n GLY 19 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1j9m n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j9m s THR 20 N -2.92 3.04 0.27 2.61 2.01 -1.25 -4.71 115.64 114.69 1j9m s THR 20 Ca 0.00 0.73 -0.29 0.00 0.31 0.00 0.00 61.69 62.44 1j9m s THR 20 Cb 0.00 -3.47 -0.09 0.00 0.01 0.00 0.00 72.50 68.95 1j9m s THR 20 CO 0.00 0.05 1.26 -0.89 -0.69 0.00 0.00 174.62 174.36 1j9m s THR 21 N 1.22 3.09 -0.01 -0.82 2.01 -1.26 -0.85 115.64 119.02 1j9m s THR 21 Ca 0.67 1.00 0.02 0.00 0.31 0.00 0.00 61.69 63.70 1j9m s THR 21 Cb -0.39 -3.64 -0.04 0.00 0.01 0.00 0.00 72.50 68.44 1j9m s THR 21 CO 0.31 0.20 0.05 0.18 -0.69 0.00 0.00 174.62 174.66 1j9m n LEU 22 N 1.64 0.00 -3.63 4.42 4.77 0.62 -4.90 117.00 119.92 1j9m n LEU 22 Ca 0.02 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.86 1j9m n LEU 22 Cb 0.43 0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.46 1j9m n LEU 22 CO 0.57 0.01 0.38 -0.47 -1.33 0.00 0.00 177.39 176.55 1j9m s TYR 23 N -2.15 -0.73 -0.01 -1.77 5.04 -1.01 -4.81 117.35 111.91 1j9m s TYR 23 Ca -0.01 1.73 -0.06 0.00 -2.44 0.00 0.00 57.07 56.30 1j9m s TYR 23 Cb 0.01 0.27 0.00 0.00 0.35 0.00 0.00 41.96 42.59 1j9m s TYR 23 CO 0.10 -0.38 0.12 0.95 -1.34 0.00 0.00 175.55 175.01 1j9m s THR 24 N 0.20 0.06 -0.29 4.34 -4.23 -1.26 -1.86 115.64 112.59 1j9m s THR 24 Ca -0.01 -0.50 0.04 0.00 -1.18 0.00 0.00 61.69 60.04 1j9m s THR 24 Cb -0.04 -0.35 0.20 0.00 1.34 0.00 0.00 72.50 73.65 1j9m s THR 24 CO 0.02 -0.27 0.63 -0.75 -0.54 0.00 0.00 174.62 173.70 1j9m s LYS 25 N -0.94 0.53 -1.64 3.99 2.20 -0.59 -4.88 119.74 118.40 1j9m s LYS 25 Ca -0.10 0.56 -0.17 0.00 -0.36 0.00 0.00 55.97 55.91 1j9m s LYS 25 Cb -0.06 0.27 0.13 0.00 -1.51 0.00 0.00 37.83 36.66 1j9m s LYS 25 CO 0.01 -0.94 0.85 0.00 -0.36 0.00 0.00 175.35 174.91 1j9m n ALA 26 N 5.40 -1.28 0.23 3.13 0.00 -1.26 -0.30 120.51 126.43 1j9m n ALA 26 Ca 0.05 0.06 0.18 0.00 0.00 0.00 0.00 53.44 53.72 1j9m n ALA 26 Cb 0.54 -3.80 0.85 0.00 0.00 0.00 0.00 19.45 17.03 1j9m n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j9m h ALA 27 N 0.93 1.64 -0.12 0.00 0.00 -1.90 -2.00 119.26 117.81 1j9m h ALA 27 Ca -0.59 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1j9m h ALA 27 Cb 1.38 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1j9m h ALA 27 CO 0.74 -0.36 0.00 -0.25 0.00 0.00 0.00 179.25 179.38 1j9m n ASP 28 N -3.41 3.06 -4.64 0.00 8.00 -1.26 -1.52 116.55 116.77 1j9m n ASP 28 Ca 0.01 -3.05 -0.39 0.00 0.71 0.00 0.00 54.79 52.07 1j9m n ASP 28 Cb 0.38 -0.48 -0.07 0.00 -0.02 0.00 0.00 41.12 40.93 1j9m n ASP 28 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1j9m s THR 29 N -2.84 5.10 0.20 -3.53 2.01 -0.75 -4.97 115.64 110.86 1j9m s THR 29 Ca 0.36 0.91 -0.31 0.00 0.31 0.00 0.00 61.69 62.97 1j9m s THR 29 Cb 0.31 -3.83 -0.10 0.00 0.01 0.00 0.00 72.50 68.89 1j9m s THR 29 CO 0.06 0.14 1.46 -0.13 -0.69 0.00 0.00 174.62 175.46 1j9m s ARG 30 N 1.90 4.27 0.20 4.92 0.52 -1.26 -4.50 118.95 125.00 1j9m s ARG 30 Ca 0.23 2.26 -0.08 0.00 -0.52 0.00 0.00 55.73 57.61 1j9m s ARG 30 Cb -0.15 -3.15 -0.02 0.00 0.52 0.00 0.00 34.95 32.15 1j9m s ARG 30 CO 0.09 -0.46 0.30 1.03 0.02 0.00 0.00 175.30 176.28 1j9m s ARG 31 N 0.35 1.29 0.41 3.54 0.52 0.22 -4.94 118.95 120.32 1j9m s ARG 31 Ca 0.63 -1.32 -0.25 0.00 -0.52 0.00 0.00 55.73 54.27 1j9m s ARG 31 Cb -0.41 0.38 -0.08 0.00 0.52 0.00 0.00 34.95 35.35 1j9m s ARG 31 CO 0.37 -0.48 1.14 -1.12 0.02 0.00 0.00 175.30 175.23 1j9m s SER 32 N -3.04 6.53 -0.11 0.23 0.01 -1.26 -1.67 113.70 114.39 1j9m s SER 32 Ca 0.25 2.28 0.19 0.00 1.31 0.00 0.00 55.95 59.98 1j9m s SER 32 Cb 0.03 -2.61 -0.27 0.00 0.21 0.00 0.00 66.02 63.38 1j9m s SER 32 CO 0.06 -0.66 0.30 0.35 0.41 0.00 0.00 173.24 173.70 1j9m n THR 33 N -0.01 0.85 -4.84 1.44 -2.24 -1.26 -4.55 114.28 103.67 1j9m n THR 33 Ca 0.05 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.12 1j9m n THR 33 Cb 0.47 -0.32 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 1j9m n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j9m n GLY 34 N 1.53 2.34 0.00 3.38 0.00 -1.26 -2.44 105.19 108.73 1j9m n GLY 34 Ca -0.20 -0.49 0.09 0.00 0.00 0.00 0.00 46.02 45.43 1j9m n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1j9m n SER 35 N 0.95 0.00 0.12 1.61 3.41 -1.22 -2.66 113.62 115.84 1j9m n SER 35 Ca 0.00 -0.46 0.12 0.00 -0.26 0.00 0.00 58.87 58.26 1j9m n SER 35 Cb 0.00 -0.05 0.47 0.00 -0.26 0.00 0.00 64.21 64.37 1j9m n SER 35 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1j9m n THR 36 N -1.05 0.79 0.15 6.66 -2.24 -1.02 -2.14 114.28 115.42 1j9m n THR 36 Ca 0.13 0.16 0.07 0.00 -2.27 0.00 0.00 64.05 62.13 1j9m n THR 36 Cb 0.08 -1.07 0.56 0.00 -2.10 0.00 0.00 70.33 67.80 1j9m n THR 36 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1j9m h THR 37 N 0.00 1.03 -1.01 4.28 2.02 -1.71 -1.76 112.91 115.76 1j9m h THR 37 Ca 0.00 -0.07 0.29 0.00 0.77 0.00 0.00 66.41 67.39 1j9m h THR 37 Cb 0.41 0.79 -0.05 0.00 -1.74 0.00 0.00 68.15 67.57 1j9m h THR 37 CO 0.00 0.04 0.72 0.45 0.37 0.00 0.00 175.52 177.09 1j9m h HIS 38 N 0.22 0.09 -0.32 3.16 3.86 -1.65 0.24 115.15 120.75 1j9m h HIS 38 Ca 0.07 0.00 0.03 0.00 -1.16 0.00 0.00 60.37 59.31 1j9m h HIS 38 Cb 0.01 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.43 1j9m h HIS 38 CO -0.00 0.01 0.14 0.82 0.86 0.00 0.00 177.93 179.76 1j9m h ILE 39 N 0.06 0.95 -0.55 2.45 2.04 -1.54 -0.51 117.51 120.40 1j9m h ILE 39 Ca 0.49 -0.10 -0.07 0.00 1.00 0.00 0.00 64.86 66.18 1j9m h ILE 39 Cb 1.85 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 38.54 1j9m h ILE 39 CO -0.04 0.05 0.07 -0.03 0.00 0.00 0.00 178.15 178.20 1j9m h MET 40 N 0.29 0.90 -0.16 2.37 4.05 -1.14 -0.65 114.93 120.59 1j9m h MET 40 Ca 0.14 -0.23 0.01 0.00 -0.28 0.00 0.00 59.70 59.34 1j9m h MET 40 Cb 0.08 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 30.76 1j9m h MET 40 CO -0.12 0.85 0.09 1.15 0.23 0.00 0.00 176.91 179.12 1j9m h THR 41 N 0.85 1.02 -0.36 -0.77 2.02 -1.16 0.64 112.91 115.15 1j9m h THR 41 Ca 0.17 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.29 1j9m h THR 41 Cb 0.41 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 1j9m h THR 41 CO 0.01 0.04 0.24 0.00 0.37 0.00 0.00 175.52 176.17 1j9m h ALA 42 N 1.07 0.45 -0.43 6.16 0.00 -0.85 -1.65 119.26 124.02 1j9m h ALA 42 Ca 0.06 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1j9m h ALA 42 Cb -0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 1j9m h ALA 42 CO -0.03 -0.09 0.15 -0.22 0.00 0.00 0.00 179.25 179.06 1j9m h LYS 43 N 0.48 0.31 -0.39 0.00 3.64 -0.61 -0.41 116.57 119.59 1j9m h LYS 43 Ca 0.13 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 1j9m h LYS 43 Cb -0.06 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.68 1j9m h LYS 43 CO -0.03 0.20 0.14 0.28 -2.27 0.00 0.00 179.45 177.77 1j9m h VAL 44 N 0.32 1.20 -0.14 2.00 2.07 -0.66 -2.37 116.25 118.66 1j9m h VAL 44 Ca 0.20 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 67.08 1j9m h VAL 44 Cb 0.19 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 1j9m h VAL 44 CO -0.20 0.23 0.05 0.58 0.02 0.00 0.00 177.57 178.25 1j9m h VAL 45 N 0.48 0.97 0.00 2.57 2.07 -0.93 -2.25 116.25 119.16 1j9m h VAL 45 Ca 0.13 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.60 1j9m h VAL 45 Cb 0.22 0.84 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 1j9m h VAL 45 CO -0.01 0.02 0.00 -0.07 0.02 0.00 0.00 177.57 177.54 1j9m h LEU 46 N 0.13 0.00 -1.42 2.57 3.38 -0.95 -2.08 115.31 116.94 1j9m h LEU 46 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1j9m h LEU 46 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1j9m h LEU 46 CO -0.06 0.00 -0.16 0.00 0.09 0.00 0.00 178.44 178.31 1j9m n ALA 47 N -1.88 2.85 -1.81 1.53 0.00 -0.87 -4.97 120.51 115.36 1j9m n ALA 47 Ca 0.00 -0.62 -0.41 0.00 0.00 0.00 0.00 53.44 52.41 1j9m n ALA 47 Cb 0.16 -0.88 -0.02 0.00 0.00 0.00 0.00 19.45 18.72 1j9m n ALA 47 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1j9m s GLN 48 N -2.18 4.24 0.27 0.00 -1.52 -0.78 -4.91 119.66 114.78 1j9m s GLN 48 Ca 0.26 2.37 0.02 0.00 -1.95 0.00 0.00 55.36 56.06 1j9m s GLN 48 Cb 0.19 -3.06 0.38 0.00 -0.22 0.00 0.00 33.01 30.31 1j9m s GLN 48 CO 0.40 -0.41 1.70 0.66 -0.25 0.00 0.00 175.29 177.40 1j9m h SER 49 N 4.09 0.50 -0.52 5.90 4.64 -1.93 -2.76 113.55 123.47 1j9m h SER 49 Ca -0.48 -0.18 -0.19 0.00 -0.47 0.00 0.00 61.79 60.48 1j9m h SER 49 Cb 1.23 -0.14 -0.11 0.00 -0.31 0.00 0.00 62.40 63.07 1j9m h SER 49 CO 0.71 0.76 0.24 -0.46 -0.87 0.00 0.00 176.83 177.21 1j9m n ASN 50 N -4.11 3.71 -4.73 4.97 6.94 -1.26 -4.97 115.26 115.81 1j9m n ASN 50 Ca -0.01 -2.83 -0.42 0.00 -0.02 0.00 0.00 54.58 51.31 1j9m n ASN 50 Cb 0.42 -0.67 -0.03 0.00 -2.36 0.00 0.00 39.78 37.14 1j9m n ASN 50 CO 0.00 0.00 0.00 -0.22 -1.03 0.00 0.00 177.26 176.01 1j9m s LEU 51 N -1.94 4.40 -0.29 -4.53 2.96 -1.04 -5.00 118.68 113.23 1j9m s LEU 51 Ca 0.35 2.47 -0.03 0.00 -0.22 0.00 0.00 54.13 56.71 1j9m s LEU 51 Cb 0.29 -3.61 0.11 0.00 0.50 0.00 0.00 46.19 43.48 1j9m s LEU 51 CO 0.08 -0.61 0.19 0.21 -1.32 0.00 0.00 176.35 174.90 1j9m s ASN 52 N 0.53 2.84 0.58 3.68 2.47 -1.26 -5.01 114.94 118.77 1j9m s ASN 52 Ca 0.60 -1.10 0.28 0.00 0.42 0.00 0.00 52.86 53.05 1j9m s ASN 52 Cb -0.38 -0.03 1.58 0.00 -1.45 0.00 0.00 41.25 40.97 1j9m s ASN 52 CO 0.38 -0.42 2.06 -0.07 -3.72 0.00 0.00 177.10 175.33 1j9m h LEU 53 N 8.34 0.00 -0.66 3.21 4.07 -1.96 0.22 115.31 128.54 1j9m h LEU 53 Ca -0.17 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.79 1j9m h LEU 53 Cb 1.03 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.77 1j9m h LEU 53 CO 0.40 0.00 -0.22 0.47 -1.08 0.00 0.00 178.44 178.01 1j9m n ASP 54 N -3.90 1.25 -4.76 -0.43 10.43 -1.26 -1.55 116.55 116.34 1j9m n ASP 54 Ca 0.03 -1.09 -0.41 0.00 2.57 0.00 0.00 54.79 55.89 1j9m n ASP 54 Cb 0.39 0.14 -0.01 0.00 1.84 0.00 0.00 41.12 43.48 1j9m n ASP 54 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1j9m s ALA 55 N -2.39 3.68 0.03 2.24 0.00 0.07 -4.74 121.76 120.64 1j9m s ALA 55 Ca 0.26 1.51 -0.06 0.00 0.00 0.00 0.00 51.96 53.68 1j9m s ALA 55 Cb 0.19 -3.62 -0.05 0.00 0.00 0.00 0.00 23.12 19.65 1j9m s ALA 55 CO 0.48 -0.94 0.29 0.15 0.00 0.00 0.00 175.76 175.74 1j9m s LYS 56 N -0.88 3.59 -0.02 0.00 1.02 -1.26 -1.20 119.74 120.98 1j9m s LYS 56 Ca 0.60 -0.07 0.05 0.00 0.02 0.00 0.00 55.97 56.57 1j9m s LYS 56 Cb -0.46 -3.05 -0.01 0.00 -0.52 0.00 0.00 37.83 33.79 1j9m s LYS 56 CO 0.51 0.62 -0.18 0.08 -0.92 0.00 0.00 175.35 175.46 1j9m s VAL 57 N -1.36 1.44 -0.13 3.17 1.01 0.11 -4.91 120.40 119.73 1j9m s VAL 57 Ca 0.30 -0.76 -0.20 0.00 0.00 0.00 0.00 61.98 61.32 1j9m s VAL 57 Cb -0.13 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 1j9m s VAL 57 CO 0.18 0.41 0.56 -0.89 0.00 0.00 0.00 175.10 175.36 1j9m s THR 58 N -0.29 5.12 -0.21 3.92 2.01 -1.26 -0.53 115.64 124.41 1j9m s THR 58 Ca 0.04 1.11 -0.29 0.00 0.31 0.00 0.00 61.69 62.86 1j9m s THR 58 Cb -0.08 -3.89 -0.03 0.00 0.01 0.00 0.00 72.50 68.50 1j9m s THR 58 CO 0.00 0.26 1.69 -0.63 -0.69 0.00 0.00 174.62 175.25 1j9m s ILE 59 N 1.00 3.59 0.39 1.82 -1.09 0.13 -4.92 121.20 122.11 1j9m s ILE 59 Ca 0.29 0.66 -0.18 0.00 -2.23 0.00 0.00 60.65 59.19 1j9m s ILE 59 Cb -0.16 -3.61 -0.10 0.00 -1.58 0.00 0.00 42.46 37.02 1j9m s ILE 59 CO 0.12 -0.26 0.85 -1.10 -1.23 0.00 0.00 174.94 173.32 1j9m s GLN 60 N 4.84 4.10 0.45 2.79 -1.52 -1.26 -1.19 119.66 127.87 1j9m s GLN 60 Ca 0.75 0.90 0.15 0.00 -1.95 0.00 0.00 55.36 55.21 1j9m s GLN 60 Cb -0.26 -2.29 1.09 0.00 -0.22 0.00 0.00 33.01 31.33 1j9m s GLN 60 CO 0.31 0.04 1.99 -0.22 -0.25 0.00 0.00 175.29 177.16 1j9m h LYS 61 N 1.99 0.32 -0.52 2.91 1.63 -1.96 -1.72 116.57 119.21 1j9m h LYS 61 Ca -0.48 -0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.29 1j9m h LYS 61 Cb 1.18 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.71 1j9m h LYS 61 CO 0.63 0.21 0.30 0.00 -3.45 0.00 0.00 179.45 177.14 1j9m h ALA 62 N 1.72 1.54 -0.53 5.00 0.00 -1.99 -0.79 119.26 124.23 1j9m h ALA 62 Ca 0.25 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1j9m h ALA 62 Cb 0.56 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1j9m h ALA 62 CO -0.06 0.39 -0.03 1.88 0.00 0.00 0.00 179.25 181.43 1j9m h TYR 63 N 0.72 1.00 -0.08 0.00 0.05 -1.68 -1.22 116.97 115.76 1j9m h TYR 63 Ca 0.19 -0.17 -0.06 0.00 0.05 0.00 0.00 58.73 58.74 1j9m h TYR 63 Cb 0.00 -0.26 0.00 0.00 1.01 0.00 0.00 36.73 37.48 1j9m h TYR 63 CO 0.00 0.92 -0.18 1.03 -1.05 0.00 0.00 178.16 178.88 1j9m h SER 64 N 0.84 0.30 -0.45 3.88 0.87 -1.44 -2.90 113.55 114.66 1j9m h SER 64 Ca 0.15 -0.58 -0.01 0.00 -1.23 0.00 0.00 61.79 60.12 1j9m h SER 64 Cb 0.55 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.39 1j9m h SER 64 CO 0.03 0.82 0.24 0.44 -0.53 0.00 0.00 176.83 177.84 1j9m h ASP 65 N -0.21 0.59 0.21 6.23 3.32 -1.12 -2.79 116.42 122.66 1j9m h ASP 65 Ca -0.00 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.99 1j9m h ASP 65 Cb 0.78 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.18 1j9m h ASP 65 CO 0.04 0.49 -0.10 0.22 -1.72 0.00 0.00 179.24 178.18 1j9m h TYR 66 N 0.67 -0.26 -0.84 4.55 5.03 -1.21 0.29 116.97 125.20 1j9m h TYR 66 Ca 0.17 -0.01 0.03 0.00 2.58 0.00 0.00 58.73 61.51 1j9m h TYR 66 Cb 0.05 0.09 -0.05 0.00 1.55 0.00 0.00 36.73 38.37 1j9m h TYR 66 CO 0.00 -0.12 0.54 -0.39 -1.32 0.00 0.00 178.16 176.88 1j9m h VAL 67 N -0.33 1.13 -0.14 1.81 -1.51 -1.30 -1.43 116.25 114.48 1j9m h VAL 67 Ca -0.03 -0.36 -0.02 0.00 -1.23 0.00 0.00 66.70 65.06 1j9m h VAL 67 Cb 0.26 -0.01 -0.01 0.00 -2.13 0.00 0.00 31.29 29.40 1j9m h VAL 67 CO 0.05 0.19 0.01 0.58 -1.23 0.00 0.00 177.57 177.17 1j9m h VAL 68 N 1.05 1.24 0.00 7.19 2.07 -1.32 0.78 116.25 127.25 1j9m h VAL 68 Ca 0.34 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 1j9m h VAL 68 Cb 0.01 1.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1j9m h VAL 68 CO -0.12 0.22 -0.08 0.00 0.02 0.00 0.00 177.57 177.62 1j9m h ALA 69 N 0.78 1.30 -0.20 1.67 0.00 -0.64 -2.82 119.26 119.35 1j9m h ALA 69 Ca 0.04 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1j9m h ALA 69 Cb 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1j9m h ALA 69 CO 0.00 0.10 0.00 0.09 0.00 0.00 0.00 179.25 179.45 1j9m n ASN 70 N -3.62 2.43 -4.09 0.00 3.02 -0.56 -4.98 115.26 107.46 1j9m n ASN 70 Ca -0.02 -1.81 -0.31 0.00 -0.03 0.00 0.00 54.58 52.41 1j9m n ASN 70 Cb 0.20 -0.13 -0.03 0.00 -0.61 0.00 0.00 39.78 39.21 1j9m n ASN 70 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1j9m n ASN 71 N 0.35 -1.71 -4.90 6.41 5.03 0.12 -4.91 115.26 115.66 1j9m n ASN 71 Ca 0.08 -1.02 -0.29 0.00 0.87 0.00 0.00 54.58 54.22 1j9m n ASN 71 Cb 0.34 -2.87 -0.03 0.00 -1.02 0.00 0.00 39.78 36.20 1j9m n ASN 71 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1j9m s ALA 72 N -3.67 3.56 0.59 5.41 0.00 -0.34 -5.04 121.76 122.27 1j9m s ALA 72 Ca 0.35 -0.46 -0.20 0.00 0.00 0.00 0.00 51.96 51.65 1j9m s ALA 72 Cb -0.19 -2.39 -0.03 0.00 0.00 0.00 0.00 23.12 20.50 1j9m s ALA 72 CO 0.91 0.21 1.26 -1.12 0.00 0.00 0.00 175.76 177.03 1j9m s SER 73 N -3.09 5.12 0.14 0.00 0.01 -1.26 -4.85 113.70 109.76 1j9m s SER 73 Ca 0.46 2.54 -0.08 0.00 1.31 0.00 0.00 55.95 60.18 1j9m s SER 73 Cb -0.11 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.50 1j9m s SER 73 CO 0.29 -1.65 0.23 0.00 0.41 0.00 0.00 173.24 172.52 1j9m s GLN 74 N -3.19 1.04 0.00 12.44 -2.07 -1.26 -1.36 119.66 125.26 1j9m s GLN 74 Ca 0.76 -1.14 0.22 0.00 -1.82 0.00 0.00 55.36 53.38 1j9m s GLN 74 Cb -0.35 0.35 0.38 0.00 -1.09 0.00 0.00 33.01 32.30 1j9m s GLN 74 CO 0.38 -0.36 1.35 0.00 -1.32 0.00 0.00 175.29 175.34 1j9m n ALA 75 N -0.16 2.41 -3.49 2.60 0.00 -1.26 -4.55 120.51 116.07 1j9m n ALA 75 Ca -0.09 -0.95 -0.24 0.00 0.00 0.00 0.00 53.44 52.15 1j9m n ALA 75 Cb 0.63 -0.81 0.07 0.00 0.00 0.00 0.00 19.45 19.33 1j9m n ALA 75 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1j9m n HIS 76 N 1.40 -2.69 -2.02 0.00 -0.00 -1.26 -4.94 115.22 105.71 1j9m n HIS 76 Ca 0.18 0.91 -0.41 0.00 -0.00 0.00 0.00 57.72 58.40 1j9m n HIS 76 Cb 0.58 -4.90 -0.02 0.00 -0.00 0.00 0.00 29.99 25.65 1j9m n HIS 76 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1j9m s LEU 77 N -7.19 4.39 -0.18 2.41 1.43 -1.26 -4.97 118.68 113.31 1j9m s LEU 77 Ca 0.53 2.71 -0.17 0.00 -1.03 0.00 0.00 54.13 56.17 1j9m s LEU 77 Cb -0.24 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.31 1j9m s LEU 77 CO 0.66 -0.68 0.43 -0.63 0.23 0.00 0.00 176.35 176.36 1j9m s ILE 78 N -0.36 5.19 0.16 -0.59 1.01 -1.26 -4.89 121.20 120.45 1j9m s ILE 78 Ca 0.56 0.80 -0.33 0.00 0.00 0.00 0.00 60.65 61.68 1j9m s ILE 78 Cb -0.42 -3.76 -0.12 0.00 0.01 0.00 0.00 42.46 38.16 1j9m s ILE 78 CO 0.47 0.27 1.70 0.52 0.00 0.00 0.00 174.94 177.90 1j9m n VAL 79 N 4.16 0.11 0.00 2.92 0.31 -1.26 -1.63 118.33 122.93 1j9m n VAL 79 Ca -0.08 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1j9m n VAL 79 Cb 0.51 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 31.61 1j9m n VAL 79 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1j9m n GLY 80 N 3.83 2.77 3.74 2.92 0.00 -0.34 -4.98 105.19 113.13 1j9m n GLY 80 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1j9m n GLY 80 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j9m s ASP 81 N -0.01 4.34 -0.24 1.61 -0.00 -0.65 -4.39 116.67 117.33 1j9m s ASP 81 Ca 0.00 2.09 -0.05 0.00 -0.00 0.00 0.00 52.55 54.59 1j9m s ASP 81 Cb 0.00 -2.56 -0.01 0.00 -0.00 0.00 0.00 42.92 40.35 1j9m s ASP 81 CO 0.00 -2.15 0.01 -0.54 -0.00 0.00 0.00 175.17 172.49 1j9m s LYS 82 N -4.32 3.35 -0.05 8.23 1.02 0.42 -0.69 119.74 127.70 1j9m s LYS 82 Ca 0.68 -0.66 0.05 0.00 0.02 0.00 0.00 55.97 56.06 1j9m s LYS 82 Cb -0.22 -3.16 -0.01 0.00 -0.52 0.00 0.00 37.83 33.91 1j9m s LYS 82 CO 0.49 -0.26 -0.22 0.08 -0.92 0.00 0.00 175.35 174.52 1j9m s VAL 83 N 1.51 1.77 0.71 3.17 1.01 0.31 -2.19 120.40 126.71 1j9m s VAL 83 Ca 0.05 -0.92 -0.11 0.00 0.00 0.00 0.00 61.98 61.00 1j9m s VAL 83 Cb -0.15 -1.51 0.02 0.00 0.00 0.00 0.00 36.38 34.74 1j9m s VAL 83 CO -0.00 0.50 1.07 0.42 0.00 0.00 0.00 175.10 177.09 1j9m s THR 84 N -0.13 3.74 0.24 3.92 -4.23 -1.26 0.06 115.64 117.98 1j9m s THR 84 Ca -0.02 0.56 -0.06 0.00 -1.18 0.00 0.00 61.69 60.99 1j9m s THR 84 Cb -0.12 -3.41 0.22 0.00 1.34 0.00 0.00 72.50 70.52 1j9m s THR 84 CO 0.03 -0.74 1.87 0.58 -0.54 0.00 0.00 174.62 175.82 1j9m h VAL 85 N -0.74 1.26 -0.19 2.29 2.07 -0.95 -0.48 116.25 119.49 1j9m h VAL 85 Ca -0.45 -0.62 0.01 0.00 0.82 0.00 0.00 66.70 66.46 1j9m h VAL 85 Cb 1.23 0.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1j9m h VAL 85 CO 0.60 0.28 0.11 -0.09 0.02 0.00 0.00 177.57 178.49 1j9m h ARG 86 N 1.25 0.22 -0.74 1.57 2.43 -1.58 0.32 114.38 117.85 1j9m h ARG 86 Ca 0.32 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.47 1j9m h ARG 86 Cb 0.01 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.47 1j9m h ARG 86 CO -0.05 0.15 0.44 1.96 -1.51 0.00 0.00 179.97 180.95 1j9m h GLN 87 N 0.23 1.01 -0.32 0.20 4.20 -1.72 -1.83 115.11 116.87 1j9m h GLN 87 Ca 0.08 -0.09 -0.08 0.00 0.06 0.00 0.00 58.65 58.61 1j9m h GLN 87 Cb 0.00 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.55 1j9m h GLN 87 CO -0.04 0.71 -0.15 -0.07 -0.67 0.00 0.00 178.83 178.62 1j9m h LEU 88 N 1.02 0.56 -0.92 1.46 3.38 -0.39 -0.72 115.31 119.70 1j9m h LEU 88 Ca 0.27 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 1j9m h LEU 88 Cb -0.02 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1j9m h LEU 88 CO -0.05 0.73 -0.15 -0.07 0.09 0.00 0.00 178.44 178.99 1j9m h LEU 89 N 0.52 0.61 -0.33 1.67 3.38 -0.14 0.12 115.31 121.15 1j9m h LEU 89 Ca 0.09 -0.18 -0.18 0.00 0.09 0.00 0.00 57.88 57.70 1j9m h LEU 89 Cb 0.56 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1j9m h LEU 89 CO 0.04 0.78 -0.51 1.88 0.09 0.00 0.00 178.44 180.72 1j9m h TYR 90 N 0.57 1.10 -0.05 1.13 -1.99 -1.05 -1.92 116.97 114.76 1j9m h TYR 90 Ca 0.10 -0.38 -0.06 0.00 2.00 0.00 0.00 58.73 60.39 1j9m h TYR 90 Cb 0.58 -0.21 -0.01 0.00 2.00 0.00 0.00 36.73 39.09 1j9m h TYR 90 CO 0.02 1.21 -0.26 0.78 -0.00 0.00 0.00 178.16 179.91 1j9m h GLY 91 N 0.72 0.09 0.30 3.88 0.00 -0.71 -0.51 103.07 106.83 1j9m h GLY 91 Ca 0.03 -0.06 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 1j9m h GLY 91 CO 0.12 0.06 -0.03 -2.00 0.00 0.00 0.00 176.54 174.68 1j9m h LEU 92 N 0.07 0.03 0.00 3.11 5.85 -0.66 -0.20 115.31 123.50 1j9m h LEU 92 Ca 0.01 -0.73 -0.13 0.00 0.84 0.00 0.00 57.88 57.88 1j9m h LEU 92 Cb 0.50 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1j9m h LEU 92 CO 0.04 0.75 -0.78 0.24 -0.34 0.00 0.00 178.44 178.35 1j9m h MET 93 N -0.69 0.00 0.00 1.25 2.86 -1.26 -2.87 114.93 114.22 1j9m h MET 93 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1j9m h MET 93 Cb 0.75 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.41 1j9m h MET 93 CO 0.01 0.47 -0.17 -0.07 1.06 0.00 0.00 176.91 178.21 1j9m h LEU 94 N 0.00 0.00 -1.29 1.22 4.07 -1.28 -3.39 115.31 114.64 1j9m h LEU 94 Ca -0.05 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.91 1j9m h LEU 94 Cb 1.46 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.20 1j9m h LEU 94 CO 0.06 0.28 0.00 -0.81 -1.08 0.00 0.00 178.44 176.89 1j9m n PRO 95 N -3.16 1.88 -3.55 1.13 -0.04 -1.24 -1.67 135.00 128.35 1j9m n PRO 95 Ca -0.02 -1.03 -0.22 0.00 -0.04 0.00 0.00 63.50 62.19 1j9m n PRO 95 Cb 0.09 -1.39 0.08 0.00 -0.04 0.00 0.00 33.50 32.24 1j9m n PRO 95 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1j9m n SER 96 N 0.27 -4.78 -4.60 3.54 2.88 -1.15 -4.27 113.62 105.52 1j9m n SER 96 Ca 0.09 -0.58 -0.43 0.00 -1.33 0.00 0.00 58.87 56.63 1j9m n SER 96 Cb 0.35 -5.04 -0.03 0.00 -0.75 0.00 0.00 64.21 58.74 1j9m n SER 96 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1j9m s GLY 97 N -3.70 0.71 0.43 0.46 0.00 -0.09 -4.16 107.32 100.97 1j9m s GLY 97 Ca 0.38 0.35 0.23 0.00 0.00 0.00 0.00 44.72 45.68 1j9m s GLY 97 CO 0.73 3.39 1.67 0.00 0.00 0.00 0.00 173.10 178.89 1j9m h ASP 99 N 0.00 0.72 -0.57 0.00 -0.00 -1.84 -0.43 116.42 114.30 1j9m h ASP 99 Ca -0.00 -0.46 -0.11 0.00 -0.00 0.00 0.00 57.03 56.46 1j9m h ASP 99 Cb 0.96 -0.21 -0.02 0.00 -0.00 0.00 0.00 39.33 40.06 1j9m h ASP 99 CO 0.02 1.23 -0.06 0.00 -0.00 0.00 0.00 179.24 180.43 1j9m h ALA 100 N 0.76 0.81 -0.40 4.15 0.00 -1.82 -0.38 119.26 122.38 1j9m h ALA 100 Ca -0.04 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1j9m h ALA 100 Cb 1.33 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1j9m h ALA 100 CO 0.14 0.67 0.24 0.00 0.00 0.00 0.00 179.25 180.31 1j9m h ALA 101 N 0.97 0.50 -0.37 0.00 0.00 -1.08 -0.63 119.26 118.65 1j9m h ALA 101 Ca 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1j9m h ALA 101 Cb 0.62 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 1j9m h ALA 101 CO 0.04 -0.01 0.24 -0.92 0.00 0.00 0.00 179.25 178.61 1j9m h TYR 102 N 0.52 0.46 -0.63 0.00 5.03 -0.79 -0.94 116.97 120.62 1j9m h TYR 102 Ca 0.14 0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.49 1j9m h TYR 102 Cb -0.01 -0.16 -0.04 0.00 1.55 0.00 0.00 36.73 38.08 1j9m h TYR 102 CO -0.04 0.29 0.40 0.00 -1.32 0.00 0.00 178.16 177.49 1j9m h ALA 103 N 1.14 0.82 -0.51 1.82 0.00 -0.67 -0.58 119.26 121.28 1j9m h ALA 103 Ca 0.14 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1j9m h ALA 103 Cb -0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.50 1j9m h ALA 103 CO -0.03 0.17 -0.09 -0.07 0.00 0.00 0.00 179.25 179.23 1j9m h LEU 104 N 0.79 0.92 -0.55 0.00 3.38 -0.77 -0.61 115.31 118.48 1j9m h LEU 104 Ca 0.25 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1j9m h LEU 104 Cb -0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.47 1j9m h LEU 104 CO -0.09 1.03 0.03 0.00 0.09 0.00 0.00 178.44 179.50 1j9m h ALA 105 N 1.05 0.74 -0.61 1.53 0.00 -0.82 -0.95 119.26 120.20 1j9m h ALA 105 Ca 0.14 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1j9m h ALA 105 Cb 0.62 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1j9m h ALA 105 CO 0.04 0.54 0.23 0.22 0.00 0.00 0.00 179.25 180.29 1j9m h ASP 106 N 0.84 0.85 -0.24 0.00 3.58 -0.88 -0.38 116.42 120.19 1j9m h ASP 106 Ca 0.16 -0.18 -0.09 0.00 0.42 0.00 0.00 57.03 57.35 1j9m h ASP 106 Cb 0.50 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 41.33 1j9m h ASP 106 CO 0.02 0.80 -0.19 0.50 -2.88 0.00 0.00 179.24 177.49 1j9m h LYS 107 N 0.85 0.55 -0.02 0.28 1.63 -0.90 -3.35 116.57 115.61 1j9m h LYS 107 Ca 0.20 -0.27 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 1j9m h LYS 107 Cb 0.22 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 1j9m h LYS 107 CO -0.01 0.85 -0.28 0.66 -3.45 0.00 0.00 179.45 177.21 1j9m n TYR 108 N -4.42 0.00 -2.00 1.91 4.02 -0.38 -4.94 117.16 111.36 1j9m n TYR 108 Ca -0.04 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.53 1j9m n TYR 108 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.72 1j9m n TYR 108 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1j9m s GLY 109 N -2.23 1.85 -0.20 2.72 0.00 -0.16 -4.84 107.32 104.46 1j9m s GLY 109 Ca 0.22 0.09 -0.10 0.00 0.00 0.00 0.00 44.72 44.92 1j9m s GLY 109 CO 0.45 0.37 0.15 -0.45 0.00 0.00 0.00 173.10 173.62 1j9m s SER 110 N -3.59 6.21 0.00 1.64 0.15 -1.26 -4.81 113.70 112.05 1j9m s SER 110 Ca 0.58 0.24 0.00 0.00 0.70 0.00 0.00 55.95 57.46 1j9m s SER 110 Cb -0.12 -2.10 0.00 0.00 -1.71 0.00 0.00 66.02 62.09 1j9m s SER 110 CO 0.45 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.65 1j9m n GLY 111 N 3.63 2.96 0.02 9.45 0.00 -1.26 -3.94 105.19 116.06 1j9m n GLY 111 Ca -0.15 -1.03 0.12 0.00 0.00 0.00 0.00 46.02 44.95 1j9m n GLY 111 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1j9m n SER 112 N 0.00 0.59 -4.39 1.61 7.64 -1.26 -4.70 113.62 113.10 1j9m n SER 112 Ca 0.00 -0.14 -0.20 0.00 1.01 0.00 0.00 58.87 59.54 1j9m n SER 112 Cb 0.00 0.32 -0.10 0.00 -1.01 0.00 0.00 64.21 63.42 1j9m n SER 112 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1j9m s THR 113 N -3.08 1.58 0.20 0.44 -4.23 -1.26 -5.03 115.64 104.25 1j9m s THR 113 Ca 0.08 -2.13 -0.09 0.00 -1.18 0.00 0.00 61.69 58.37 1j9m s THR 113 Cb 0.16 -2.34 0.13 0.00 1.34 0.00 0.00 72.50 71.79 1j9m s THR 113 CO 0.73 -0.38 1.76 -0.09 -0.54 0.00 0.00 174.62 176.10 1j9m h ARG 114 N 2.37 1.08 -0.47 3.99 2.43 -1.95 -0.76 114.38 121.07 1j9m h ARG 114 Ca -0.39 -0.19 0.00 0.00 -0.81 0.00 0.00 59.98 58.58 1j9m h ARG 114 Cb 1.23 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.58 1j9m h ARG 114 CO 0.66 0.88 0.29 0.00 -1.51 0.00 0.00 179.97 180.29 1j9m h ALA 115 N 1.14 0.59 -0.55 2.80 0.00 -1.99 -0.25 119.26 121.00 1j9m h ALA 115 Ca 0.24 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 1j9m h ALA 115 Cb 0.21 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1j9m h ALA 115 CO -0.02 0.07 0.09 0.00 0.00 0.00 0.00 179.25 179.39 1j9m h ALA 116 N 1.15 0.73 -0.22 0.00 0.00 -1.84 -2.30 119.26 116.77 1j9m h ALA 116 Ca 0.17 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1j9m h ALA 116 Cb -0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1j9m h ALA 116 CO -0.03 0.47 -0.31 0.00 0.00 0.00 0.00 179.25 179.38 1j9m h ARG 117 N 0.80 0.45 -0.36 0.00 3.08 -0.86 -0.92 114.38 116.57 1j9m h ARG 117 Ca 0.17 -0.19 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 1j9m h ARG 117 Cb 0.41 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 1j9m h ARG 117 CO 0.01 0.71 0.03 0.28 -1.07 0.00 0.00 179.97 179.93 1j9m h VAL 118 N 0.39 1.25 -0.28 2.04 2.07 -0.90 0.81 116.25 121.63 1j9m h VAL 118 Ca 0.05 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.65 1j9m h VAL 118 Cb 0.74 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1j9m h VAL 118 CO 0.06 0.31 0.16 0.11 0.02 0.00 0.00 177.57 178.22 1j9m h LYS 119 N 0.44 0.39 -0.44 1.57 1.79 -1.23 -1.13 116.57 117.97 1j9m h LYS 119 Ca 0.11 -0.04 0.01 0.00 -2.18 0.00 0.00 60.65 58.54 1j9m h LYS 119 Cb 0.41 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 30.96 1j9m h LYS 119 CO 0.01 0.33 0.28 1.03 -1.08 0.00 0.00 179.45 180.02 1j9m h SER 120 N 0.34 0.46 -0.69 0.86 0.87 -1.01 -1.13 113.55 113.26 1j9m h SER 120 Ca 0.10 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.67 1j9m h SER 120 Cb 0.05 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 61.87 1j9m h SER 120 CO -0.02 0.33 0.45 0.15 -0.53 0.00 0.00 176.83 177.22 1j9m h PHE 121 N 0.56 0.85 -0.15 2.24 3.57 -0.52 -0.54 116.94 122.95 1j9m h PHE 121 Ca 0.17 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.64 1j9m h PHE 121 Cb -0.03 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.41 1j9m h PHE 121 CO -0.06 0.52 -0.11 0.82 -2.23 0.00 0.00 178.31 177.25 1j9m h ILE 122 N 0.91 1.17 -0.68 1.41 2.04 -0.85 -1.54 117.51 119.96 1j9m h ILE 122 Ca 0.26 -0.74 -0.05 0.00 1.00 0.00 0.00 64.86 65.33 1j9m h ILE 122 Cb -0.07 1.18 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 1j9m h ILE 122 CO -0.07 0.23 0.22 1.23 0.00 0.00 0.00 178.15 179.76 1j9m h GLY 123 N 0.71 1.14 1.42 5.37 0.00 0.14 -2.20 103.07 109.65 1j9m h GLY 123 Ca 0.05 -0.66 -0.03 0.00 0.00 0.00 0.00 47.33 46.68 1j9m h GLY 123 CO 0.02 0.62 0.17 0.50 0.00 0.00 0.00 176.54 177.85 1j9m h LYS 124 N 1.00 0.74 -0.53 4.80 1.57 -0.26 -0.23 116.57 123.66 1j9m h LYS 124 Ca 0.22 -0.12 -0.04 0.00 -1.87 0.00 0.00 60.65 58.84 1j9m h LYS 124 Cb 0.28 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1j9m h LYS 124 CO -0.01 0.63 0.18 0.52 -0.57 0.00 0.00 179.45 180.20 1j9m h MET 125 N 0.72 0.81 -0.31 3.15 2.86 -0.90 0.54 114.93 121.80 1j9m h MET 125 Ca 0.17 -0.17 -0.15 0.00 -2.06 0.00 0.00 59.70 57.50 1j9m h MET 125 Cb 0.19 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 1j9m h MET 125 CO -0.01 0.74 -0.39 -0.91 1.06 0.00 0.00 176.91 177.40 1j9m h ASN 126 N 0.72 0.79 -0.78 1.22 2.35 -0.95 -2.23 115.58 116.71 1j9m h ASN 126 Ca 0.17 -0.36 -0.05 0.00 -0.55 0.00 0.00 56.30 55.52 1j9m h ASN 126 Cb 0.25 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.37 1j9m h ASN 126 CO -0.01 1.09 0.30 0.74 -1.65 0.00 0.00 177.43 177.90 1j9m h THR 127 N 0.61 1.26 -0.77 2.81 2.02 -0.78 -1.27 112.91 116.79 1j9m h THR 127 Ca 0.05 -0.84 0.02 0.00 0.77 0.00 0.00 66.41 66.41 1j9m h THR 127 Cb 0.94 0.35 -0.04 0.00 -1.74 0.00 0.00 68.15 67.65 1j9m h THR 127 CO 0.09 0.34 0.50 0.00 0.37 0.00 0.00 175.52 176.81 1j9m h ALA 128 N 1.16 0.99 -0.52 6.16 0.00 -0.63 0.94 119.26 127.37 1j9m h ALA 128 Ca 0.26 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 1j9m h ALA 128 Cb 0.23 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1j9m h ALA 128 CO -0.02 0.34 0.06 0.00 0.00 0.00 0.00 179.25 179.63 1j9m h ALA 129 N 1.30 0.69 -0.32 0.00 0.00 -1.00 -2.49 119.26 117.44 1j9m h ALA 129 Ca 0.30 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1j9m h ALA 129 Cb -0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1j9m h ALA 129 CO -0.09 0.45 0.20 1.15 0.00 0.00 0.00 179.25 180.96 1j9m h THR 130 N 0.75 1.05 0.00 0.00 2.02 -0.63 -1.95 112.91 114.15 1j9m h THR 130 Ca 0.15 -0.14 0.00 0.00 0.77 0.00 0.00 66.41 67.20 1j9m h THR 130 Cb 0.44 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1j9m h THR 130 CO 0.02 0.07 0.00 0.78 0.37 0.00 0.00 175.52 176.76 1j9m h ASN 131 N 0.40 0.00 0.05 4.18 2.35 -0.63 0.10 115.58 122.03 1j9m h ASN 131 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1j9m h ASN 131 Cb -0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.36 1j9m h ASN 131 CO -0.05 0.00 -0.05 0.18 -1.65 0.00 0.00 177.43 175.86 1j9m n LEU 132 N -2.85 1.21 -0.32 1.61 4.77 -0.79 -4.92 117.00 115.71 1j9m n LEU 132 Ca -0.01 -0.38 -0.04 0.00 -0.03 0.00 0.00 56.01 55.56 1j9m n LEU 132 Cb 0.17 -0.03 -0.01 0.00 -2.33 0.00 0.00 43.42 41.21 1j9m n LEU 132 CO 0.21 0.20 -0.04 0.61 -1.33 0.00 0.00 177.39 177.05 1j9m n GLY 133 N 1.19 0.56 3.83 -0.72 0.00 0.02 -5.03 105.19 105.05 1j9m n GLY 133 Ca 0.18 -0.86 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 1j9m n GLY 133 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j9m s LEU 134 N -0.90 3.92 0.00 0.99 1.43 -0.84 -4.99 118.68 118.29 1j9m s LEU 134 Ca 0.00 1.55 0.00 0.00 -1.03 0.00 0.00 54.13 54.65 1j9m s LEU 134 Cb 0.00 -4.41 0.00 0.00 0.03 0.00 0.00 46.19 41.81 1j9m s LEU 134 CO 0.00 -0.36 0.00 1.41 0.23 0.00 0.00 176.35 177.63 1j9m n HIS 135 N -0.75 0.00 -1.37 0.29 8.25 -1.26 -4.63 115.22 115.75 1j9m n HIS 135 Ca 0.06 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.55 1j9m n HIS 135 Cb 0.54 0.00 0.20 0.00 1.12 0.00 0.00 29.99 31.85 1j9m n HIS 135 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1j9m n ASN 136 N -0.55 2.42 -4.08 0.41 3.02 -1.26 -4.99 115.26 110.23 1j9m n ASN 136 Ca 0.00 -3.60 -0.25 0.00 -0.03 0.00 0.00 54.58 50.70 1j9m n ASN 136 Cb 0.00 -0.56 -0.16 0.00 -0.61 0.00 0.00 39.78 38.45 1j9m n ASN 136 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1j9m s THR 137 N -3.13 1.26 -0.09 3.41 2.01 -1.26 -3.85 115.64 113.98 1j9m s THR 137 Ca 0.40 -0.59 -0.07 0.00 0.31 0.00 0.00 61.69 61.74 1j9m s THR 137 Cb 0.37 -1.11 0.03 0.00 0.01 0.00 0.00 72.50 71.80 1j9m s THR 137 CO -0.00 0.37 0.23 -2.28 -0.69 0.00 0.00 174.62 172.25 1j9m s HIS 138 N 0.31 -0.27 -0.05 4.92 5.04 -0.21 -4.98 115.29 120.05 1j9m s HIS 138 Ca -0.08 0.66 0.03 0.00 -1.54 0.00 0.00 55.06 54.12 1j9m s HIS 138 Cb -0.13 0.07 -0.03 0.00 0.04 0.00 0.00 32.58 32.54 1j9m s HIS 138 CO 0.03 -0.15 -0.12 -0.06 -2.34 0.00 0.00 174.74 172.10 1j9m s PHE 139 N 0.43 2.78 -0.01 3.88 0.08 -1.24 -0.64 117.98 123.26 1j9m s PHE 139 Ca -0.03 -0.10 0.02 0.00 0.12 0.00 0.00 56.93 56.95 1j9m s PHE 139 Cb -0.04 -1.65 0.03 0.00 -0.57 0.00 0.00 43.02 40.79 1j9m s PHE 139 CO -0.02 0.24 0.80 -3.47 -0.10 0.00 0.00 175.22 172.67 1j9m n ASP 140 N 2.22 0.87 -3.73 1.36 2.03 -1.24 -4.86 116.55 113.19 1j9m n ASP 140 Ca -0.17 -1.68 -0.07 0.00 0.52 0.00 0.00 54.79 53.38 1j9m n ASP 140 Cb 0.52 -0.08 -0.02 0.00 -0.72 0.00 0.00 41.12 40.83 1j9m n ASP 140 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1j9m s SER 141 N -0.76 -0.20 0.00 1.67 1.04 -1.26 -4.99 113.70 109.20 1j9m s SER 141 Ca 0.03 -0.72 0.18 0.00 0.48 0.00 0.00 55.95 55.92 1j9m s SER 141 Cb 0.03 0.74 0.05 0.00 0.10 0.00 0.00 66.02 66.93 1j9m s SER 141 CO 0.00 -1.38 0.96 2.22 0.98 0.00 0.00 173.24 176.02 1j9m n PHE 142 N -0.47 0.00 -0.96 5.02 -1.74 -1.26 -4.56 117.46 113.50 1j9m n PHE 142 Ca -0.04 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.85 1j9m n PHE 142 Cb 0.59 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.59 1j9m n PHE 142 CO 0.00 0.00 0.00 -0.40 -0.56 0.00 0.00 176.76 175.80 1j9m n ASP 143 N 0.28 0.08 -0.24 5.98 5.68 -1.26 -4.44 116.55 122.63 1j9m n ASP 143 Ca 0.08 -1.03 0.00 0.00 -0.50 0.00 0.00 54.79 53.34 1j9m n ASP 143 Cb 0.40 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 1j9m n ASP 143 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1j9m n GLY 144 N -0.02 -2.85 0.33 6.12 0.00 -1.25 -4.02 105.19 103.50 1j9m n GLY 144 Ca 0.00 -0.92 0.16 0.00 0.00 0.00 0.00 46.02 45.26 1j9m n GLY 144 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1j9m h GLY 148 N 0.00 0.00 -1.23 -0.02 0.00 -2.02 -3.38 103.07 96.42 1j9m h GLY 148 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1j9m h GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1j9m n ALA 149 N -2.39 2.48 -3.81 3.60 0.00 -1.26 -4.63 120.51 114.50 1j9m n ALA 149 Ca 0.01 -0.64 -0.35 0.00 0.00 0.00 0.00 53.44 52.46 1j9m n ALA 149 Cb 0.30 -1.02 -0.12 0.00 0.00 0.00 0.00 19.45 18.61 1j9m n ALA 149 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1j9m s ASN 150 N -1.32 5.12 0.20 0.00 2.47 -1.25 -3.62 114.94 116.52 1j9m s ASN 150 Ca 0.31 -2.33 -0.10 0.00 0.42 0.00 0.00 52.86 51.16 1j9m s ASN 150 Cb 0.16 -1.80 -0.01 0.00 -1.45 0.00 0.00 41.25 38.16 1j9m s ASN 150 CO 0.23 -0.46 0.34 -0.72 -3.72 0.00 0.00 177.10 172.78 1j9m s TYR 151 N 0.69 0.45 0.00 0.43 1.13 0.19 -4.08 117.35 116.16 1j9m s TYR 151 Ca 0.11 -0.79 0.00 0.00 -1.41 0.00 0.00 57.07 54.98 1j9m s TYR 151 Cb -0.22 -0.02 0.00 0.00 -1.10 0.00 0.00 41.96 40.62 1j9m s TYR 151 CO -0.04 -0.80 0.00 0.45 -2.51 0.00 0.00 175.55 172.64 1j9m n SER 152 N -0.28 0.00 -4.21 -0.18 2.88 -0.67 -1.04 113.62 110.12 1j9m n SER 152 Ca -0.05 -0.90 -0.12 0.00 -1.33 0.00 0.00 58.87 56.48 1j9m n SER 152 Cb 0.63 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.99 1j9m n SER 152 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1j9m s THR 153 N -2.90 0.57 0.30 2.46 -4.23 -1.26 -0.61 115.64 109.97 1j9m s THR 153 Ca 0.00 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 1j9m s THR 153 Cb 0.00 -2.01 0.28 0.00 1.34 0.00 0.00 72.50 72.11 1j9m s THR 153 CO 0.00 -0.57 1.91 -0.65 -0.54 0.00 0.00 174.62 174.77 1j9m h PRO 154 N 2.79 1.02 0.00 3.99 0.11 -1.78 -0.81 132.00 137.32 1j9m h PRO 154 Ca -0.36 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.69 1j9m h PRO 154 Cb 1.19 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.07 1j9m h PRO 154 CO 0.63 0.67 -0.00 -0.09 -0.21 0.00 0.00 178.00 179.00 1j9m h ARG 155 N 1.05 -0.00 -0.17 1.05 2.43 -1.60 -2.31 114.38 114.83 1j9m h ARG 155 Ca 0.40 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.59 1j9m h ARG 155 Cb 0.20 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 1j9m h ARG 155 CO -0.15 0.45 0.05 -0.44 -1.51 0.00 0.00 179.97 178.37 1j9m h ASP 156 N -0.45 0.05 -0.48 -3.80 3.45 -1.74 -1.23 116.42 112.21 1j9m h ASP 156 Ca -0.00 0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.47 1j9m h ASP 156 Cb 0.45 0.02 -0.03 0.00 -0.56 0.00 0.00 39.33 39.21 1j9m h ASP 156 CO 0.00 0.05 0.27 -0.07 -1.57 0.00 0.00 179.24 177.92 1j9m h LEU 157 N 0.13 0.62 -0.69 1.55 3.38 -1.22 -0.39 115.31 118.69 1j9m h LEU 157 Ca 0.08 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 1j9m h LEU 157 Cb 0.05 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 1j9m h LEU 157 CO -0.09 0.51 -0.00 0.74 0.09 0.00 0.00 178.44 179.69 1j9m h THR 158 N 0.71 1.26 -0.62 0.22 2.02 -0.86 -0.35 112.91 115.28 1j9m h THR 158 Ca 0.18 -1.13 -0.09 0.00 0.77 0.00 0.00 66.41 66.14 1j9m h THR 158 Cb 0.04 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 1j9m h THR 158 CO -0.03 0.41 0.04 0.11 0.37 0.00 0.00 175.52 176.42 1j9m h LYS 159 N 0.92 1.05 -0.24 6.66 1.79 -0.28 0.43 116.57 126.90 1j9m h LYS 159 Ca 0.17 -0.31 -0.02 0.00 -2.18 0.00 0.00 60.65 58.32 1j9m h LYS 159 Cb 0.54 -0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.07 1j9m h LYS 159 CO 0.03 1.00 0.09 0.82 -1.08 0.00 0.00 179.45 180.31 1j9m h ILE 160 N 0.97 1.18 -0.65 1.86 2.04 -0.73 -1.01 117.51 121.17 1j9m h ILE 160 Ca 0.18 -0.54 -0.03 0.00 1.00 0.00 0.00 64.86 65.47 1j9m h ILE 160 Cb 0.50 1.09 -0.03 0.00 -0.74 0.00 0.00 36.82 37.64 1j9m h ILE 160 CO 0.02 0.18 0.29 0.00 0.00 0.00 0.00 178.15 178.64 1j9m h ALA 161 N 0.93 0.84 -0.88 1.87 0.00 -0.86 -0.62 119.26 120.54 1j9m h ALA 161 Ca 0.08 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1j9m h ALA 161 Cb 0.19 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1j9m h ALA 161 CO -0.01 0.43 0.58 1.03 0.00 0.00 0.00 179.25 181.28 1j9m h SER 162 N 0.91 1.02 -0.38 0.00 0.87 -0.71 0.56 113.55 115.82 1j9m h SER 162 Ca 0.22 -0.03 -0.04 0.00 -1.23 0.00 0.00 61.79 60.71 1j9m h SER 162 Cb 0.16 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.85 1j9m h SER 162 CO -0.02 0.75 0.09 -1.28 -0.53 0.00 0.00 176.83 175.84 1j9m h SER 163 N 1.20 0.57 -0.70 6.23 0.87 -0.66 -2.91 113.55 118.15 1j9m h SER 163 Ca 0.32 -0.23 -0.03 0.00 -1.23 0.00 0.00 61.79 60.62 1j9m h SER 163 Cb -0.12 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 61.65 1j9m h SER 163 CO -0.07 0.66 0.31 0.00 -0.53 0.00 0.00 176.83 177.20 1j9m h ALA 164 N 0.94 1.19 0.00 6.23 0.00 -0.57 -2.41 119.26 124.65 1j9m h ALA 164 Ca 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1j9m h ALA 164 Cb 0.30 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1j9m h ALA 164 CO 0.00 0.60 0.00 -1.33 0.00 0.00 0.00 179.25 178.52 1j9m n MET 165 N -4.31 0.02 0.16 0.00 2.81 0.14 -1.25 117.12 114.69 1j9m n MET 165 Ca 0.07 0.35 0.13 0.00 -1.81 0.00 0.00 57.70 56.44 1j9m n MET 165 Cb 0.16 -1.50 0.47 0.00 -0.71 0.00 0.00 33.22 31.64 1j9m n MET 165 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 1j9m h LYS 166 N 0.00 0.00 -5.44 0.03 1.57 -1.43 -3.43 116.57 107.87 1j9m h LYS 166 Ca 0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 1j9m h LYS 166 Cb 0.09 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.29 1j9m h LYS 166 CO 0.00 0.00 -0.11 1.21 -0.57 0.00 0.00 179.45 179.98 1j9m s ASN 167 N -4.78 6.48 0.34 0.86 3.84 -0.38 -4.98 114.94 116.31 1j9m s ASN 167 Ca 0.06 0.57 0.02 0.00 0.21 0.00 0.00 52.86 53.72 1j9m s ASN 167 Cb 0.10 -2.26 0.59 0.00 -0.55 0.00 0.00 41.25 39.13 1j9m s ASN 167 CO 0.50 -0.16 1.94 0.77 -2.79 0.00 0.00 177.10 177.37 1j9m h SER 168 N 7.56 0.67 -0.20 -4.21 4.64 -1.87 -1.51 113.55 118.63 1j9m h SER 168 Ca -0.34 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 60.91 1j9m h SER 168 Cb 1.16 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.07 1j9m h SER 168 CO 0.72 0.57 0.07 0.74 -0.87 0.00 0.00 176.83 178.06 1j9m h THR 169 N 0.74 1.18 -0.58 2.95 2.02 -1.94 0.08 112.91 117.37 1j9m h THR 169 Ca 0.19 -0.55 0.05 0.00 0.77 0.00 0.00 66.41 66.86 1j9m h THR 169 Cb 0.08 1.18 -0.05 0.00 -1.74 0.00 0.00 68.15 67.62 1j9m h THR 169 CO -0.02 0.18 0.31 0.15 0.37 0.00 0.00 175.52 176.50 1j9m h PHE 170 N 0.15 0.57 -0.62 3.16 3.57 -1.73 -0.72 116.94 121.33 1j9m h PHE 170 Ca 0.06 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 1j9m h PHE 170 Cb 0.21 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 1j9m h PHE 170 CO -0.00 0.29 0.38 0.00 -2.23 0.00 0.00 178.31 176.74 1j9m h ARG 171 N 0.60 0.83 -0.39 1.11 3.08 -1.02 -1.61 114.38 116.98 1j9m h ARG 171 Ca 0.25 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 1j9m h ARG 171 Cb 0.13 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 1j9m h ARG 171 CO -0.16 0.58 0.22 1.15 -1.07 0.00 0.00 179.97 180.70 1j9m h THR 172 N 0.83 1.15 0.35 2.04 2.02 -0.34 -2.92 112.91 116.04 1j9m h THR 172 Ca 0.22 -0.37 -0.02 0.00 0.77 0.00 0.00 66.41 67.01 1j9m h THR 172 Cb -0.04 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1j9m h THR 172 CO -0.04 0.15 -0.17 0.58 0.37 0.00 0.00 175.52 176.41 1j9m h VAL 173 N 0.51 0.67 0.00 3.16 2.07 -0.88 -3.17 116.25 118.61 1j9m h VAL 173 Ca 0.14 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1j9m h VAL 173 Cb 0.05 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1j9m h VAL 173 CO -0.02 0.06 0.00 -0.37 0.02 0.00 0.00 177.57 177.25 1j9m h VAL 174 N -0.63 0.00 -0.02 2.57 -1.51 -1.32 -1.71 116.25 113.64 1j9m h VAL 174 Ca -0.05 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 65.22 1j9m h VAL 174 Cb 0.45 0.98 0.00 0.00 -2.13 0.00 0.00 31.29 30.59 1j9m h VAL 174 CO 0.08 0.00 -0.14 2.29 -1.23 0.00 0.00 177.57 178.57 1j9m n LYS 175 N -2.59 1.60 -2.70 5.19 2.85 -1.11 -4.35 118.16 117.06 1j9m n LYS 175 Ca -0.00 -1.15 -0.43 0.00 -1.05 0.00 0.00 58.31 55.68 1j9m n LYS 175 Cb 0.17 -1.48 -0.03 0.00 -0.65 0.00 0.00 35.03 33.05 1j9m n LYS 175 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 1j9m s THR 176 N -2.19 4.77 0.07 0.58 2.01 -0.64 -4.95 115.64 115.28 1j9m s THR 176 Ca 0.29 2.01 -0.05 0.00 0.31 0.00 0.00 61.69 64.25 1j9m s THR 176 Cb 0.20 -4.30 -0.29 0.00 0.01 0.00 0.00 72.50 68.12 1j9m s THR 176 CO 0.41 -0.04 1.12 0.11 -0.69 0.00 0.00 174.62 175.53 1j9m h LYS 177 N 7.20 0.28 -3.26 4.92 1.57 -1.90 -3.40 116.57 121.98 1j9m h LYS 177 Ca -0.28 -0.48 -0.17 0.00 -1.87 0.00 0.00 60.65 57.85 1j9m h LYS 177 Cb 1.13 0.18 -0.25 0.00 0.08 0.00 0.00 32.23 33.37 1j9m h LYS 177 CO 0.88 1.23 -0.46 0.00 -0.57 0.00 0.00 179.45 180.53 1j9m s ALA 178 N -2.65 -0.51 -0.08 3.86 0.00 -1.26 -0.43 121.76 120.68 1j9m s ALA 178 Ca -0.04 0.45 -0.06 0.00 0.00 0.00 0.00 51.96 52.31 1j9m s ALA 178 Cb 0.07 -0.24 0.03 0.00 0.00 0.00 0.00 23.12 22.98 1j9m s ALA 178 CO 0.89 -0.13 0.21 -0.47 0.00 0.00 0.00 175.76 176.26 1j9m s TYR 179 N -0.24 -0.25 -0.28 0.00 5.04 0.07 -4.98 117.35 116.71 1j9m s TYR 179 Ca -0.03 0.62 0.03 0.00 -2.44 0.00 0.00 57.07 55.25 1j9m s TYR 179 Cb -0.03 0.05 0.07 0.00 0.35 0.00 0.00 41.96 42.41 1j9m s TYR 179 CO 0.01 -0.15 -0.06 0.99 -1.34 0.00 0.00 175.55 174.99 1j9m s THR 180 N 0.56 2.13 0.12 4.34 2.01 -1.26 0.29 115.64 123.84 1j9m s THR 180 Ca -0.04 -1.78 -0.30 0.00 0.31 0.00 0.00 61.69 59.88 1j9m s THR 180 Cb -0.05 -2.34 -0.06 0.00 0.01 0.00 0.00 72.50 70.06 1j9m s THR 180 CO -0.03 -0.19 0.96 0.00 -0.69 0.00 0.00 174.62 174.68 1j9m s ALA 181 N 1.08 3.25 -0.42 7.40 0.00 -1.26 -4.91 121.76 126.89 1j9m s ALA 181 Ca -0.03 0.59 -0.07 0.00 0.00 0.00 0.00 51.96 52.45 1j9m s ALA 181 Cb -0.20 -3.28 0.10 0.00 0.00 0.00 0.00 23.12 19.75 1j9m s ALA 181 CO -0.06 -0.01 0.25 0.15 0.00 0.00 0.00 175.76 176.08 1j9m s LYS 182 N -0.10 2.36 0.44 0.00 -0.14 -1.26 -1.16 119.74 119.88 1j9m s LYS 182 Ca 0.47 -1.66 0.05 0.00 -1.36 0.00 0.00 55.97 53.47 1j9m s LYS 182 Cb -0.24 -3.72 0.01 0.00 -1.68 0.00 0.00 37.83 32.21 1j9m s LYS 182 CO 0.30 -1.04 0.62 0.95 -0.76 0.00 0.00 175.35 175.42 1j9m s THR 183 N 1.30 3.15 -0.26 2.17 -4.23 0.04 -4.83 115.64 112.99 1j9m s THR 183 Ca 0.05 -0.87 -0.09 0.00 -1.18 0.00 0.00 61.69 59.60 1j9m s THR 183 Cb -0.24 -3.10 -0.04 0.00 1.34 0.00 0.00 72.50 70.46 1j9m s THR 183 CO -0.01 -0.05 0.13 -0.69 -0.54 0.00 0.00 174.62 173.46 1j9m s VAL 184 N -2.45 4.83 0.91 2.29 1.01 -0.93 -0.07 120.40 125.98 1j9m s VAL 184 Ca 0.54 0.00 -0.12 0.00 0.00 0.00 0.00 61.98 62.40 1j9m s VAL 184 Cb -0.10 -3.27 0.13 0.00 0.00 0.00 0.00 36.38 33.14 1j9m s VAL 184 CO 0.35 0.31 1.09 -0.89 0.00 0.00 0.00 175.10 175.96 1j9m s THR 185 N 1.57 2.56 0.37 3.92 2.01 0.10 -0.43 115.64 125.74 1j9m s THR 185 Ca 0.06 0.18 0.04 0.00 0.31 0.00 0.00 61.69 62.29 1j9m s THR 185 Cb -0.15 -2.70 0.26 0.00 0.01 0.00 0.00 72.50 69.92 1j9m s THR 185 CO 0.07 -0.24 2.02 0.11 -0.69 0.00 0.00 174.62 175.89 1j9m h LYS 186 N -1.57 0.71 -0.00 4.92 1.57 -1.88 0.62 116.57 120.94 1j9m h LYS 186 Ca -0.50 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.23 1j9m h LYS 186 Cb 1.29 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1j9m h LYS 186 CO 0.56 0.48 -0.01 0.25 -0.57 0.00 0.00 179.45 180.17 1j9m n THR 187 N -4.44 0.00 -0.44 -0.16 -2.24 -1.26 -4.89 114.28 100.85 1j9m n THR 187 Ca 0.05 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1j9m n THR 187 Cb 0.06 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 1j9m n THR 187 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j9m n GLY 188 N 1.07 0.76 3.84 3.38 0.00 0.21 -5.06 105.19 109.39 1j9m n GLY 188 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 1j9m n GLY 188 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j9m s SER 189 N -3.00 4.84 -0.25 1.61 1.04 -1.26 -4.64 113.70 112.05 1j9m s SER 189 Ca 0.00 1.22 -0.12 0.00 0.48 0.00 0.00 55.95 57.53 1j9m s SER 189 Cb 0.00 -1.97 -0.05 0.00 0.10 0.00 0.00 66.02 64.11 1j9m s SER 189 CO 0.00 -1.74 0.24 -0.63 0.98 0.00 0.00 173.24 172.09 1j9m s ILE 190 N -3.25 5.29 -0.18 -1.02 -1.09 -1.26 0.02 121.20 119.71 1j9m s ILE 190 Ca 0.60 0.33 -0.07 0.00 -2.23 0.00 0.00 60.65 59.28 1j9m s ILE 190 Cb -0.13 -3.58 -0.04 0.00 -1.58 0.00 0.00 42.46 37.13 1j9m s ILE 190 CO 0.53 0.27 0.06 -0.60 -1.23 0.00 0.00 174.94 173.97 1j9m s ARG 191 N 1.47 3.95 -0.44 2.79 3.52 0.89 -4.93 118.95 126.20 1j9m s ARG 191 Ca 0.11 -0.35 -0.20 0.00 -0.13 0.00 0.00 55.73 55.15 1j9m s ARG 191 Cb -0.15 -3.19 0.03 0.00 -1.56 0.00 0.00 34.95 30.07 1j9m s ARG 191 CO 0.08 0.28 0.62 0.99 -0.81 0.00 0.00 175.30 176.46 1j9m s THR 192 N 0.34 4.85 0.79 4.11 2.01 -1.26 -0.78 115.64 125.70 1j9m s THR 192 Ca 0.03 0.01 -0.11 0.00 0.31 0.00 0.00 61.69 61.93 1j9m s THR 192 Cb -0.12 -4.20 0.06 0.00 0.01 0.00 0.00 72.50 68.25 1j9m s THR 192 CO 0.00 -0.60 1.09 -0.04 -0.69 0.00 0.00 174.62 174.38 1j9m s MET 193 N 2.74 2.18 0.42 4.92 1.00 -0.31 -4.98 119.30 125.27 1j9m s MET 193 Ca 0.21 0.76 -0.26 0.00 0.00 0.00 0.00 55.69 56.40 1j9m s MET 193 Cb -0.15 -1.92 -0.09 0.00 0.00 0.00 0.00 34.83 32.68 1j9m s MET 193 CO 0.18 -1.58 1.33 -0.51 0.00 0.00 0.00 175.02 174.44 1j9m s ASP 194 N -3.80 6.21 0.35 3.03 -0.00 -1.26 -4.62 116.67 116.57 1j9m s ASP 194 Ca 0.60 2.71 -0.29 0.00 -0.00 0.00 0.00 52.55 55.58 1j9m s ASP 194 Cb -0.15 -2.64 -0.11 0.00 -0.00 0.00 0.00 42.92 40.02 1j9m s ASP 194 CO 0.55 -0.93 1.44 -0.89 -0.00 0.00 0.00 175.17 175.34 1j9m s THR 195 N -1.25 2.31 -0.09 -1.27 2.01 -1.26 -4.72 115.64 111.37 1j9m s THR 195 Ca 0.58 0.30 -0.13 0.00 0.31 0.00 0.00 61.69 62.75 1j9m s THR 195 Cb -0.39 -3.19 -0.05 0.00 0.01 0.00 0.00 72.50 68.88 1j9m s THR 195 CO 0.50 0.07 0.33 0.26 -0.69 0.00 0.00 174.62 175.09 1j9m s TRP 196 N -0.95 3.59 -0.05 4.92 0.51 0.15 -4.94 118.94 122.16 1j9m s TRP 196 Ca 0.53 0.76 0.03 0.00 -2.12 0.00 0.00 56.10 55.30 1j9m s TRP 196 Cb -0.44 -2.27 -0.03 0.00 -0.81 0.00 0.00 33.47 29.92 1j9m s TRP 196 CO 0.57 0.47 -0.13 0.15 -0.51 0.00 0.00 176.95 177.50 1j9m s LYS 197 N -0.36 2.56 0.05 4.98 -0.14 -1.26 -0.75 119.74 124.82 1j9m s LYS 197 Ca 0.20 -0.67 -0.31 0.00 -1.36 0.00 0.00 55.97 53.83 1j9m s LYS 197 Cb -0.14 -2.42 -0.06 0.00 -1.68 0.00 0.00 37.83 33.52 1j9m s LYS 197 CO 0.08 0.62 1.35 1.21 -0.76 0.00 0.00 175.35 177.85 1j9m s ASN 198 N -0.72 6.89 0.13 2.83 3.84 0.43 -3.72 114.94 124.61 1j9m s ASN 198 Ca 0.11 2.15 0.19 0.00 0.21 0.00 0.00 52.86 55.52 1j9m s ASN 198 Cb -0.11 -2.57 0.80 0.00 -0.55 0.00 0.00 41.25 38.82 1j9m s ASN 198 CO 0.01 -0.65 1.59 0.35 -2.79 0.00 0.00 177.10 175.61 1j9m n THR 199 N 4.29 0.91 -2.60 -5.21 -2.24 -0.67 -4.56 114.28 104.20 1j9m n THR 199 Ca 0.12 0.24 -0.41 0.00 -2.27 0.00 0.00 64.05 61.72 1j9m n THR 199 Cb 0.44 -1.07 -0.03 0.00 -2.10 0.00 0.00 70.33 67.56 1j9m n THR 199 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1j9m s ASN 200 N -3.62 6.24 0.66 3.42 2.47 -1.26 -4.88 114.94 117.97 1j9m s ASN 200 Ca 0.06 -0.74 0.43 0.00 0.42 0.00 0.00 52.86 53.02 1j9m s ASN 200 Cb 0.09 -2.54 2.36 0.00 -1.45 0.00 0.00 41.25 39.71 1j9m s ASN 200 CO 0.33 -1.71 2.36 1.23 -3.72 0.00 0.00 177.10 175.59 1j9m h GLY 201 N 12.71 0.00 1.98 1.21 0.00 -1.99 -2.69 103.07 114.29 1j9m h GLY 201 Ca -0.18 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1j9m h GLY 201 CO 1.29 0.00 -0.02 1.41 0.00 0.00 0.00 176.54 179.23 1j9m h LEU 202 N 0.00 0.03 -1.93 3.11 3.38 -1.94 -1.16 115.31 116.80 1j9m h LEU 202 Ca -0.00 -0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.09 1j9m h LEU 202 Cb 0.01 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1j9m h LEU 202 CO 0.00 0.05 0.34 -0.07 0.09 0.00 0.00 178.44 178.85 1j9m h LEU 203 N 0.03 0.07 0.00 1.67 3.38 -1.77 0.43 115.31 119.12 1j9m h LEU 203 Ca 0.01 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1j9m h LEU 203 Cb 0.05 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1j9m h LEU 203 CO 0.00 0.04 -1.75 -1.54 0.09 0.00 0.00 178.44 175.29 1j9m n SER 204 N -4.42 1.69 -0.04 -0.43 3.41 -0.73 -4.68 113.62 108.42 1j9m n SER 204 Ca 0.08 0.00 -0.05 0.00 -0.26 0.00 0.00 58.87 58.64 1j9m n SER 204 Cb 0.50 1.40 -0.14 0.00 -0.26 0.00 0.00 64.21 65.71 1j9m n SER 204 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1j9m n SER 205 N -2.16 0.39 -4.34 4.04 3.41 -0.52 -4.88 113.62 109.56 1j9m n SER 205 Ca -0.09 0.18 -0.37 0.00 -0.26 0.00 0.00 58.87 58.33 1j9m n SER 205 Cb 0.56 0.67 -0.13 0.00 -0.26 0.00 0.00 64.21 65.05 1j9m n SER 205 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1j9m s TYR 206 N -2.71 3.13 0.15 7.33 5.04 0.12 -5.04 117.35 125.38 1j9m s TYR 206 Ca -0.07 -0.97 -0.31 0.00 -2.44 0.00 0.00 57.07 53.28 1j9m s TYR 206 Cb 0.08 -2.24 -0.11 0.00 0.35 0.00 0.00 41.96 40.04 1j9m s TYR 206 CO 0.83 -0.57 1.75 0.45 -1.34 0.00 0.00 175.55 176.67 1j9m s SER 207 N 1.50 6.44 0.00 4.32 0.15 -1.26 -1.44 113.70 123.41 1j9m s SER 207 Ca 0.03 2.76 0.00 0.00 0.70 0.00 0.00 55.95 59.43 1j9m s SER 207 Cb -0.17 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 1j9m s SER 207 CO 0.02 -0.96 0.00 0.61 1.20 0.00 0.00 173.24 174.11 1j9m n GLY 208 N 4.08 0.84 3.77 9.45 0.00 -1.26 -4.82 105.19 117.25 1j9m n GLY 208 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1j9m n GLY 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j9m s ALA 209 N -2.77 3.59 0.00 4.61 0.00 -0.52 -0.41 121.76 126.26 1j9m s ALA 209 Ca 0.00 1.47 0.00 0.00 0.00 0.00 0.00 51.96 53.43 1j9m s ALA 209 Cb 0.00 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1j9m s ALA 209 CO 0.00 -0.91 0.14 0.44 0.00 0.00 0.00 175.76 175.43 1j9m n ILE 210 N 1.01 0.00 -2.63 0.00 -5.35 -0.15 -4.86 119.36 107.37 1j9m n ILE 210 Ca 0.02 -0.15 0.00 0.00 -0.27 0.00 0.00 62.75 62.35 1j9m n ILE 210 Cb 0.40 1.64 0.00 0.00 -1.74 0.00 0.00 39.64 39.94 1j9m n ILE 210 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1j9m n GLY 211 N 0.03 -1.24 1.37 3.28 0.00 -1.16 -3.57 105.19 103.90 1j9m n GLY 211 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1j9m n GLY 211 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1j9m n VAL 212 N 0.45 0.39 -3.64 1.61 0.31 0.08 -2.16 118.33 115.37 1j9m n VAL 212 Ca 0.00 0.13 -0.08 0.00 -0.01 0.00 0.00 64.34 64.38 1j9m n VAL 212 Cb 0.00 -1.17 -0.07 0.00 -0.91 0.00 0.00 33.84 31.69 1j9m n VAL 212 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1j9m s LYS 213 N -2.00 0.60 0.73 5.55 2.47 -0.57 -4.82 119.74 121.70 1j9m s LYS 213 Ca 0.00 0.86 -0.07 0.00 -1.56 0.00 0.00 55.97 55.19 1j9m s LYS 213 Cb 0.00 0.22 0.07 0.00 -1.46 0.00 0.00 37.83 36.66 1j9m s LYS 213 CO 0.00 -0.10 1.05 0.95 0.16 0.00 0.00 175.35 177.41 1j9m s THR 214 N 0.85 2.22 -0.16 3.43 -4.23 -1.26 -0.71 115.64 115.79 1j9m s THR 214 Ca -0.03 -0.24 -0.30 0.00 -1.18 0.00 0.00 61.69 59.94 1j9m s THR 214 Cb -0.05 -2.98 0.12 0.00 1.34 0.00 0.00 72.50 70.93 1j9m s THR 214 CO -0.10 0.00 0.96 -0.83 -0.54 0.00 0.00 174.62 174.12 1j9m s GLY 215 N -4.55 -0.29 0.24 3.99 0.00 -0.51 -3.71 107.32 102.48 1j9m s GLY 215 Ca 0.61 2.00 -0.19 0.00 0.00 0.00 0.00 44.72 47.14 1j9m s GLY 215 CO 0.46 1.09 0.63 -1.35 0.00 0.00 0.00 173.10 173.92 1j9m s SER 216 N -1.01 -0.28 0.00 1.64 1.04 -1.25 -0.23 113.70 113.60 1j9m s SER 216 Ca -0.02 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 55.86 1j9m s SER 216 Cb -0.01 0.66 0.00 0.00 0.10 0.00 0.00 66.02 66.77 1j9m s SER 216 CO 0.02 -1.21 0.00 0.61 0.98 0.00 0.00 173.24 173.64 1j9m n GLY 217 N -0.41 1.27 0.28 7.32 0.00 -1.00 -3.37 105.19 109.28 1j9m n GLY 217 Ca -0.07 -0.82 0.03 0.00 0.00 0.00 0.00 46.02 45.16 1j9m n GLY 217 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j9m h PRO 218 N 0.00 0.41 0.00 1.61 0.13 -1.99 0.13 132.00 132.30 1j9m h PRO 218 Ca 0.00 -0.05 -0.37 0.00 -0.87 0.00 0.00 66.00 64.70 1j9m h PRO 218 Cb 0.00 -0.08 -0.07 0.00 0.13 0.00 0.00 31.00 30.98 1j9m h PRO 218 CO 0.00 0.37 -2.38 0.39 -0.23 0.00 0.00 178.00 176.15 1j9m n GLU 219 N -4.39 0.68 0.19 0.86 -0.58 -1.26 -4.46 120.64 111.67 1j9m n GLU 219 Ca 0.01 0.06 0.08 0.00 -0.42 0.00 0.00 57.16 56.90 1j9m n GLU 219 Cb 0.15 -1.54 0.13 0.00 -0.57 0.00 0.00 31.44 29.62 1j9m n GLU 219 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1j9m h ALA 220 N 0.64 0.86 -0.81 0.62 0.00 -1.78 -3.43 119.26 115.36 1j9m h ALA 220 Ca -0.55 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1j9m h ALA 220 Cb 2.12 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.87 1j9m h ALA 220 CO -0.01 0.28 0.00 1.63 0.00 0.00 0.00 179.25 181.15 1j9m n LYS 221 N -3.16 0.00 -3.34 0.00 4.76 0.46 -2.94 118.16 113.94 1j9m n LYS 221 Ca 0.03 0.00 -0.42 0.00 -2.87 0.00 0.00 58.31 55.05 1j9m n LYS 221 Cb 0.61 0.00 -0.09 0.00 -1.84 0.00 0.00 35.03 33.71 1j9m n LYS 221 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1j9m s TYR 222 N 0.00 3.18 0.26 2.13 2.02 -1.04 -2.36 117.35 121.54 1j9m s TYR 222 Ca 0.00 -0.24 0.10 0.00 -0.37 0.00 0.00 57.07 56.56 1j9m s TYR 222 Cb 0.00 -2.82 -0.05 0.00 -0.40 0.00 0.00 41.96 38.69 1j9m s TYR 222 CO 0.00 -0.61 -0.08 0.00 -1.57 0.00 0.00 175.55 173.29 1j9m s LEU 224 N -3.48 -0.96 -0.25 0.00 2.96 -0.63 -1.43 118.68 114.89 1j9m s LEU 224 Ca 0.30 1.43 -0.09 0.00 -0.22 0.00 0.00 54.13 55.55 1j9m s LEU 224 Cb -0.06 2.25 -0.04 0.00 0.50 0.00 0.00 46.19 48.84 1j9m s LEU 224 CO 0.17 -0.21 0.12 -0.69 -1.32 0.00 0.00 176.35 174.42 1j9m s VAL 225 N 2.12 4.87 0.23 1.68 1.01 0.11 -0.95 120.40 129.48 1j9m s VAL 225 Ca -0.08 0.01 0.10 0.00 0.00 0.00 0.00 61.98 62.02 1j9m s VAL 225 Cb -0.07 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 1j9m s VAL 225 CO -0.19 0.32 -0.19 0.72 0.00 0.00 0.00 175.10 175.76 1j9m s PHE 226 N 1.44 2.10 -0.12 5.22 -0.12 0.37 -0.74 117.98 126.13 1j9m s PHE 226 Ca 0.06 -0.41 -0.22 0.00 -0.05 0.00 0.00 56.93 56.31 1j9m s PHE 226 Cb -0.15 -0.96 0.05 0.00 -0.63 0.00 0.00 43.02 41.34 1j9m s PHE 226 CO 0.06 0.55 0.54 0.00 -0.05 0.00 0.00 175.22 176.33 1j9m s ALA 227 N -2.43 -1.38 0.01 1.99 0.00 -0.92 -0.61 121.76 118.43 1j9m s ALA 227 Ca 0.25 1.23 -0.27 0.00 0.00 0.00 0.00 51.96 53.18 1j9m s ALA 227 Cb -0.05 -0.42 0.06 0.00 0.00 0.00 0.00 23.12 22.71 1j9m s ALA 227 CO 0.11 -0.30 0.60 0.00 0.00 0.00 0.00 175.76 176.18 1j9m s ALA 228 N -0.51 -1.57 -0.10 0.00 0.00 -0.43 -0.98 121.76 118.17 1j9m s ALA 228 Ca -0.06 0.95 0.03 0.00 0.00 0.00 0.00 51.96 52.88 1j9m s ALA 228 Cb -0.03 0.23 0.01 0.00 0.00 0.00 0.00 23.12 23.33 1j9m s ALA 228 CO 0.04 -0.46 -0.19 0.99 0.00 0.00 0.00 175.76 176.14 1j9m s THR 229 N -1.89 1.74 -0.09 0.00 2.01 0.45 -0.79 115.64 117.07 1j9m s THR 229 Ca -0.08 -0.82 -0.04 0.00 0.31 0.00 0.00 61.69 61.06 1j9m s THR 229 Cb -0.01 -1.54 0.05 0.00 0.01 0.00 0.00 72.50 71.02 1j9m s THR 229 CO 0.03 0.49 0.19 -0.13 -0.69 0.00 0.00 174.62 174.51 1j9m s ARG 230 N 0.60 0.08 -1.22 4.92 0.52 0.02 -4.48 118.95 119.38 1j9m s ARG 230 Ca -0.14 0.59 -0.06 0.00 -0.52 0.00 0.00 55.73 55.59 1j9m s ARG 230 Cb -0.17 -0.20 0.01 0.00 0.52 0.00 0.00 34.95 35.11 1j9m s ARG 230 CO 0.04 -0.28 1.06 0.41 0.02 0.00 0.00 175.30 176.55 1j9m n GLY 231 N 5.15 -0.40 2.40 -3.53 0.00 -1.26 -2.24 105.19 105.31 1j9m n GLY 231 Ca -0.08 0.16 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 1j9m n GLY 231 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1j9m n GLY 232 N -1.69 0.91 3.08 -0.02 0.00 -1.26 -4.99 105.19 101.22 1j9m n GLY 232 Ca -0.07 -0.26 -0.27 0.00 0.00 0.00 0.00 46.02 45.42 1j9m n GLY 232 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1j9m s LYS 233 N -3.85 2.08 -0.22 1.61 2.20 -0.95 -5.11 119.74 115.51 1j9m s LYS 233 Ca 0.00 -0.54 -0.04 0.00 -0.36 0.00 0.00 55.97 55.03 1j9m s LYS 233 Cb 0.00 -1.66 -0.01 0.00 -1.51 0.00 0.00 37.83 34.65 1j9m s LYS 233 CO 0.00 0.07 -0.05 0.99 -0.36 0.00 0.00 175.35 176.00 1j9m s THR 234 N 0.58 3.36 -0.21 3.43 2.01 -1.26 -0.80 115.64 122.75 1j9m s THR 234 Ca -0.16 -0.50 -0.09 0.00 0.31 0.00 0.00 61.69 61.26 1j9m s THR 234 Cb -0.16 -2.52 -0.04 0.00 0.01 0.00 0.00 72.50 69.78 1j9m s THR 234 CO 0.05 0.43 0.10 -0.69 -0.69 0.00 0.00 174.62 173.82 1j9m s VAL 235 N 1.45 4.96 -0.03 3.82 1.01 0.03 -0.58 120.40 131.07 1j9m s VAL 235 Ca 0.06 0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.11 1j9m s VAL 235 Cb -0.14 -3.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 1j9m s VAL 235 CO -0.03 0.41 -0.15 -0.51 0.00 0.00 0.00 175.10 174.81 1j9m s ILE 236 N 0.74 1.23 0.26 2.22 2.07 -0.52 -1.31 121.20 125.89 1j9m s ILE 236 Ca 0.05 -0.63 -0.11 0.00 -1.41 0.00 0.00 60.65 58.55 1j9m s ILE 236 Cb -0.13 -1.05 0.04 0.00 0.13 0.00 0.00 42.46 41.45 1j9m s ILE 236 CO 0.02 0.36 0.58 0.61 -1.91 0.00 0.00 174.94 174.59 1j9m n GLY 237 N 2.98 1.21 3.16 1.50 0.00 0.22 -0.76 105.19 113.50 1j9m n GLY 237 Ca -0.17 -1.17 -0.13 0.00 0.00 0.00 0.00 46.02 44.56 1j9m n GLY 237 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j9m s THR 238 N -2.35 -0.00 -0.05 2.61 2.01 0.40 -0.48 115.64 117.78 1j9m s THR 238 Ca 0.12 0.01 0.06 0.00 0.31 0.00 0.00 61.69 62.18 1j9m s THR 238 Cb -0.03 -0.39 -0.01 0.00 0.01 0.00 0.00 72.50 72.08 1j9m s THR 238 CO 0.08 0.00 -0.22 0.68 -0.69 0.00 0.00 174.62 174.47 1j9m s VAL 239 N 0.19 1.83 -0.01 3.82 -7.23 -0.13 -1.21 120.40 117.67 1j9m s VAL 239 Ca -0.00 -0.94 0.07 0.00 -1.81 0.00 0.00 61.98 59.29 1j9m s VAL 239 Cb -0.02 -1.56 -0.02 0.00 0.56 0.00 0.00 36.38 35.34 1j9m s VAL 239 CO -0.00 0.51 -0.21 -0.76 -0.31 0.00 0.00 175.10 174.33 1j9m s LEU 240 N -0.10 2.04 -1.17 1.32 1.43 0.43 -1.61 118.68 121.03 1j9m s LEU 240 Ca -0.03 -0.39 -0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1j9m s LEU 240 Cb -0.13 -1.09 -0.00 0.00 0.03 0.00 0.00 46.19 45.00 1j9m s LEU 240 CO 0.03 0.26 0.97 0.00 0.23 0.00 0.00 176.35 177.84 1j9m n ALA 241 N 2.54 -1.99 -1.93 4.21 0.00 -1.15 -2.39 120.51 119.80 1j9m n ALA 241 Ca -0.15 -0.05 -0.29 0.00 0.00 0.00 0.00 53.44 52.95 1j9m n ALA 241 Cb 0.53 -2.47 0.14 0.00 0.00 0.00 0.00 19.45 17.65 1j9m n ALA 241 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1j9m s SER 242 N -4.30 3.84 0.08 0.00 0.15 0.63 -3.01 113.70 111.09 1j9m s SER 242 Ca 0.01 0.39 0.24 0.00 0.70 0.00 0.00 55.95 57.30 1j9m s SER 242 Cb -0.00 -0.67 0.33 0.00 -1.71 0.00 0.00 66.02 63.97 1j9m s SER 242 CO 0.71 -2.27 1.29 0.35 1.20 0.00 0.00 173.24 174.52 1j9m n THR 243 N -3.45 0.23 -3.81 6.45 -2.24 -1.26 -2.48 114.28 107.72 1j9m n THR 243 Ca 0.12 -0.20 -0.04 0.00 -2.27 0.00 0.00 64.05 61.66 1j9m n THR 243 Cb 0.60 0.02 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 1j9m n THR 243 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1j9m s SER 244 N -3.86 -0.09 0.01 3.42 1.04 -1.26 -4.90 113.70 108.05 1j9m s SER 244 Ca 0.07 -0.56 -0.25 0.00 0.48 0.00 0.00 55.95 55.68 1j9m s SER 244 Cb 0.15 0.52 -0.18 0.00 0.10 0.00 0.00 66.02 66.60 1j9m s SER 244 CO 0.73 -1.00 1.34 0.40 0.98 0.00 0.00 173.24 175.69 1j9m h ILE 245 N 2.00 1.12 -0.49 -1.02 2.04 -1.95 -0.86 117.51 118.36 1j9m h ILE 245 Ca -0.26 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 64.81 1j9m h ILE 245 Cb 1.23 1.63 -0.02 0.00 -0.74 0.00 0.00 36.82 38.91 1j9m h ILE 245 CO 0.30 0.19 0.28 -0.65 0.00 0.00 0.00 178.15 178.28 1j9m h PRO 246 N -0.48 0.66 -0.55 2.37 0.11 -2.00 -2.15 132.00 129.97 1j9m h PRO 246 Ca -0.01 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 65.97 1j9m h PRO 246 Cb 0.40 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.35 1j9m h PRO 246 CO 0.02 0.48 0.05 0.00 -0.21 0.00 0.00 178.00 178.34 1j9m h ALA 247 N 1.64 0.73 -0.26 -0.75 0.00 -1.91 -1.44 119.26 117.27 1j9m h ALA 247 Ca 0.18 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 1j9m h ALA 247 Cb -0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1j9m h ALA 247 CO -0.03 0.51 -0.23 0.07 0.00 0.00 0.00 179.25 179.56 1j9m h ARG 248 N 0.82 0.49 -0.41 0.00 0.11 -0.78 0.14 114.38 114.74 1j9m h ARG 248 Ca 0.16 -0.18 -0.14 0.00 0.10 0.00 0.00 59.98 59.92 1j9m h ARG 248 Cb 0.46 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.50 1j9m h ARG 248 CO 0.02 0.70 -0.29 0.93 0.10 0.00 0.00 179.97 181.43 1j9m h GLU 249 N 0.44 0.90 -0.34 0.08 5.08 -1.19 -1.97 114.58 117.58 1j9m h GLU 249 Ca 0.07 -0.41 -0.17 0.00 -1.00 0.00 0.00 59.36 57.85 1j9m h GLU 249 Cb 0.65 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 1j9m h GLU 249 CO 0.05 1.06 -0.44 1.03 -1.00 0.00 0.00 179.01 179.71 1j9m h SER 250 N 0.76 0.95 -0.04 1.42 0.87 -0.94 -1.05 113.55 115.52 1j9m h SER 250 Ca 0.09 -0.46 0.00 0.00 -1.23 0.00 0.00 61.79 60.19 1j9m h SER 250 Cb 0.85 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.54 1j9m h SER 250 CO 0.07 1.25 0.01 0.44 -0.53 0.00 0.00 176.83 178.07 1j9m h ASP 251 N 0.70 -0.00 -0.78 6.23 3.45 -0.62 -1.02 116.42 124.37 1j9m h ASP 251 Ca 0.04 0.01 -0.01 0.00 0.43 0.00 0.00 57.03 57.50 1j9m h ASP 251 Cb 1.03 0.01 -0.04 0.00 -0.56 0.00 0.00 39.33 39.78 1j9m h ASP 251 CO 0.10 0.01 0.44 0.00 -1.57 0.00 0.00 179.24 178.21 1j9m h ALA 252 N 1.03 1.00 -0.58 3.45 0.00 -1.30 -1.68 119.26 121.18 1j9m h ALA 252 Ca 0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1j9m h ALA 252 Cb 0.01 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.46 1j9m h ALA 252 CO -0.02 0.51 0.36 1.15 0.00 0.00 0.00 179.25 181.25 1j9m h THR 253 N 1.08 1.17 -0.45 0.00 2.02 -0.78 -1.03 112.91 114.93 1j9m h THR 253 Ca 0.28 -0.35 -0.05 0.00 0.77 0.00 0.00 66.41 67.05 1j9m h THR 253 Cb 0.02 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 66.76 1j9m h THR 253 CO -0.05 0.17 0.07 0.11 0.37 0.00 0.00 175.52 176.19 1j9m h LYS 254 N 0.79 0.75 -0.54 6.66 1.57 -0.93 -0.87 116.57 124.00 1j9m h LYS 254 Ca 0.21 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1j9m h LYS 254 Cb -0.04 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1j9m h LYS 254 CO -0.04 0.77 0.17 0.82 -0.57 0.00 0.00 179.45 180.61 1j9m h ILE 255 N 0.61 1.23 -0.32 1.86 2.04 -1.08 -0.29 117.51 121.57 1j9m h ILE 255 Ca 0.14 -0.78 -0.06 0.00 1.00 0.00 0.00 64.86 65.16 1j9m h ILE 255 Cb 0.39 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1j9m h ILE 255 CO 0.01 0.29 -0.03 0.24 0.00 0.00 0.00 178.15 178.66 1j9m h MET 256 N 0.74 0.58 -0.83 2.37 2.86 -1.10 0.86 114.93 120.41 1j9m h MET 256 Ca 0.17 -0.20 0.03 0.00 -2.06 0.00 0.00 59.70 57.64 1j9m h MET 256 Cb 0.27 -0.04 -0.05 0.00 0.06 0.00 0.00 31.60 31.84 1j9m h MET 256 CO -0.01 0.74 0.53 -0.91 1.06 0.00 0.00 176.91 178.32 1j9m h ASN 257 N 0.37 0.89 -0.00 1.22 -0.26 -1.02 0.36 115.58 117.14 1j9m h ASN 257 Ca 0.09 -0.01 -0.00 0.00 -0.56 0.00 0.00 56.30 55.82 1j9m h ASN 257 Cb 0.49 -0.20 -0.00 0.00 -1.06 0.00 0.00 38.32 37.55 1j9m h ASN 257 CO 0.02 0.61 0.00 0.22 -1.06 0.00 0.00 177.43 177.23 1j9m h TYR 258 N 1.04 0.00 -0.79 1.19 3.20 -0.84 -2.09 116.97 118.68 1j9m h TYR 258 Ca 0.33 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.24 1j9m h TYR 258 Cb -0.01 -0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.22 1j9m h TYR 258 CO -0.02 0.15 0.52 0.78 -1.64 0.00 0.00 178.16 177.94 1j9m h GLY 259 N -0.14 1.11 2.00 1.82 0.00 -0.21 -1.68 103.07 105.97 1j9m h GLY 259 Ca 0.00 -0.38 -0.12 0.00 0.00 0.00 0.00 47.33 46.84 1j9m h GLY 259 CO -0.00 0.32 -0.56 0.74 0.00 0.00 0.00 176.54 177.04 1j9m h PHE 260 N 0.95 0.00 0.00 5.60 0.04 -0.80 -3.18 116.94 119.55 1j9m h PHE 260 Ca 0.32 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.09 1j9m h PHE 260 Cb 0.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.22 1j9m h PHE 260 CO -0.00 0.56 -0.45 0.00 -0.60 0.00 0.00 178.31 177.81 1j9m n ALA 261 N -2.35 3.06 0.00 2.45 0.00 -0.80 -5.10 120.51 117.77 1j9m n ALA 261 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1j9m n ALA 261 Cb 0.62 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.86 1j9m n ALA 261 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78