#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c54 s THR 13 N 0.00 3.92 -0.59 -0.72 -4.23 -1.26 -4.87 115.64 107.88 2c54 s THR 13 Ca 0.00 -1.59 -0.23 0.00 -1.18 0.00 0.00 61.69 58.69 2c54 s THR 13 Cb 0.00 -3.07 0.05 0.00 1.34 0.00 0.00 72.50 70.82 2c54 s THR 13 CO 0.00 -0.30 0.92 -0.47 -0.54 0.00 0.00 174.62 174.23 2c54 s TYR 14 N -2.10 2.76 0.19 3.99 5.04 -1.26 -4.91 117.35 121.06 2c54 s TYR 14 Ca 0.31 -0.28 -0.10 0.00 -2.44 0.00 0.00 57.07 54.55 2c54 s TYR 14 Cb -0.08 -4.11 0.11 0.00 0.35 0.00 0.00 41.96 38.23 2c54 s TYR 14 CO 0.22 -1.45 1.76 0.87 -1.34 0.00 0.00 175.55 175.61 2c54 h LYS 15 N 9.39 1.01 -0.20 4.97 1.57 -2.04 -3.17 116.57 128.10 2c54 h LYS 15 Ca -0.27 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 2c54 h LYS 15 Cb 1.07 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.21 2c54 h LYS 15 CO 1.12 0.82 0.00 0.39 -0.57 0.00 0.00 179.45 181.20 2c54 n GLU 16 N -4.42 1.72 -1.78 3.15 1.02 -1.26 -4.89 120.64 114.19 2c54 n GLU 16 Ca 0.05 -1.09 -0.42 0.00 -0.02 0.00 0.00 57.16 55.69 2c54 n GLU 16 Cb 0.15 -1.36 -0.02 0.00 -0.02 0.00 0.00 31.44 30.19 2c54 n GLU 16 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2c54 s LEU 17 N -1.45 4.35 -0.44 -4.62 2.96 -1.20 -4.96 118.68 113.33 2c54 s LEU 17 Ca 0.30 2.90 -0.25 0.00 -0.22 0.00 0.00 54.13 56.86 2c54 s LEU 17 Cb 0.16 -3.62 0.02 0.00 0.50 0.00 0.00 46.19 43.25 2c54 s LEU 17 CO 0.24 -0.92 0.89 -1.61 -1.32 0.00 0.00 176.35 173.63 2c54 s GLU 18 N 0.12 3.58 -0.18 1.98 2.02 -1.26 -5.02 118.70 119.95 2c54 s GLU 18 Ca 0.67 0.20 -0.07 0.00 0.02 0.00 0.00 54.97 55.79 2c54 s GLU 18 Cb -0.48 -3.90 -0.04 0.00 0.10 0.00 0.00 34.13 29.81 2c54 s GLU 18 CO 0.42 -1.13 0.07 1.03 0.02 0.00 0.00 175.26 175.67 2c54 s ARG 19 N 3.59 3.93 0.11 1.61 0.52 -1.26 -5.07 118.95 122.38 2c54 s ARG 19 Ca 0.36 -0.32 0.10 0.00 -0.52 0.00 0.00 55.73 55.35 2c54 s ARG 19 Cb -0.11 -3.22 -0.04 0.00 0.52 0.00 0.00 34.95 32.11 2c54 s ARG 19 CO 0.24 0.33 -0.27 -1.21 0.02 0.00 0.00 175.30 174.41 2c54 s GLU 20 N 0.23 1.50 0.47 3.54 2.02 -1.26 -5.12 118.70 120.08 2c54 s GLU 20 Ca 0.05 -1.28 -0.24 0.00 0.02 0.00 0.00 54.97 53.51 2c54 s GLU 20 Cb -0.12 -1.90 -0.07 0.00 0.10 0.00 0.00 34.13 32.13 2c54 s GLU 20 CO 0.00 0.46 1.39 -0.65 0.02 0.00 0.00 175.26 176.48 2c54 s GLN 21 N -1.84 3.55 0.05 1.61 -0.21 -1.26 -4.95 119.66 116.61 2c54 s GLN 21 Ca 0.13 2.32 -0.24 0.00 0.02 0.00 0.00 55.36 57.59 2c54 s GLN 21 Cb -0.10 -2.54 -0.17 0.00 1.00 0.00 0.00 33.01 31.20 2c54 s GLN 21 CO 0.05 -0.89 1.56 -0.92 -2.12 0.00 0.00 175.29 172.97 2c54 h TYR 22 N 2.09 -0.04 -0.82 0.91 3.20 -1.98 -3.41 116.97 116.92 2c54 h TYR 22 Ca -0.51 -0.00 -0.36 0.00 3.14 0.00 0.00 58.73 61.00 2c54 h TYR 22 Cb 1.27 0.01 -0.24 0.00 1.54 0.00 0.00 36.73 39.31 2c54 h TYR 22 CO 0.49 0.14 -0.74 1.87 -1.64 0.00 0.00 178.16 178.28 2c54 n TRP 23 N -5.03 -2.10 0.39 -3.82 -0.00 -1.26 -4.76 117.44 100.86 2c54 n TRP 23 Ca -0.08 -2.51 0.11 0.00 -0.00 0.00 0.00 57.50 55.02 2c54 n TRP 23 Cb 0.12 0.78 0.48 0.00 -0.00 0.00 0.00 31.31 32.69 2c54 n TRP 23 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 2c54 n PRO 24 N 1.47 0.17 0.18 5.87 -0.04 -1.26 -3.36 135.00 138.03 2c54 n PRO 24 Ca 0.14 0.42 0.06 0.00 -0.04 0.00 0.00 63.50 64.08 2c54 n PRO 24 Cb 0.60 -1.84 0.25 0.00 -0.04 0.00 0.00 33.50 32.47 2c54 n PRO 24 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2c54 h SER 25 N 0.00 0.00 -4.45 3.54 4.64 -1.98 -3.45 113.55 111.84 2c54 h SER 25 Ca 0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2c54 h SER 25 Cb 0.33 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 62.21 2c54 h SER 25 CO 0.00 0.35 0.37 -1.83 -0.87 0.00 0.00 176.83 174.85 2c54 s GLU 26 N -3.35 0.80 0.21 4.77 -1.05 -1.21 -5.14 118.70 113.72 2c54 s GLU 26 Ca 0.02 0.25 -0.30 0.00 -0.15 0.00 0.00 54.97 54.79 2c54 s GLU 26 Cb 0.09 0.38 -0.08 0.00 -0.44 0.00 0.00 34.13 34.08 2c54 s GLU 26 CO 0.69 -0.24 1.02 -0.80 0.95 0.00 0.00 175.26 176.88 2c54 s ASN 27 N -1.03 7.45 0.32 0.83 0.01 -1.26 -4.89 114.94 116.36 2c54 s ASN 27 Ca -0.05 2.02 0.10 0.00 -0.71 0.00 0.00 52.86 54.21 2c54 s ASN 27 Cb -0.01 -2.61 -0.05 0.00 0.41 0.00 0.00 41.25 38.99 2c54 s ASN 27 CO 0.05 -0.04 -0.04 -0.76 -1.51 0.00 0.00 177.10 174.80 2c54 s LEU 28 N -0.81 2.94 -0.26 0.60 1.43 -1.26 -4.96 118.68 116.36 2c54 s LEU 28 Ca 0.45 -0.95 -0.17 0.00 -1.03 0.00 0.00 54.13 52.43 2c54 s LEU 28 Cb -0.28 -1.35 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 2c54 s LEU 28 CO 0.34 -0.14 0.47 -0.75 0.23 0.00 0.00 176.35 176.50 2c54 s LYS 29 N -3.66 4.07 -0.09 1.70 2.20 -1.26 -1.08 119.74 121.61 2c54 s LYS 29 Ca 0.33 0.25 0.01 0.00 -0.36 0.00 0.00 55.97 56.20 2c54 s LYS 29 Cb -0.02 -3.64 0.02 0.00 -1.51 0.00 0.00 37.83 32.68 2c54 s LYS 29 CO 0.18 -0.30 -0.12 0.42 -0.36 0.00 0.00 175.35 175.17 2c54 s ILE 30 N 2.15 1.24 -0.26 5.43 1.01 -0.14 -0.75 121.20 129.88 2c54 s ILE 30 Ca 0.20 -0.49 -0.11 0.00 0.00 0.00 0.00 60.65 60.25 2c54 s ILE 30 Cb -0.16 -1.16 -0.05 0.00 0.01 0.00 0.00 42.46 41.10 2c54 s ILE 30 CO 0.09 0.39 0.18 -0.55 0.00 0.00 0.00 174.94 175.05 2c54 s SER 31 N 1.06 6.07 -0.25 3.58 0.15 -0.53 -0.40 113.70 123.38 2c54 s SER 31 Ca -0.06 0.05 0.03 0.00 0.70 0.00 0.00 55.95 56.66 2c54 s SER 31 Cb -0.15 -2.11 0.06 0.00 -1.71 0.00 0.00 66.02 62.11 2c54 s SER 31 CO -0.02 0.00 -0.10 -0.63 1.20 0.00 0.00 173.24 173.70 2c54 s ILE 32 N 1.43 2.06 0.30 6.45 1.01 -0.17 -0.37 121.20 131.91 2c54 s ILE 32 Ca 0.07 -1.55 -0.08 0.00 0.00 0.00 0.00 60.65 59.09 2c54 s ILE 32 Cb -0.15 -2.19 -0.06 0.00 0.01 0.00 0.00 42.46 40.07 2c54 s ILE 32 CO 0.08 -0.03 0.61 0.42 0.00 0.00 0.00 174.94 176.02 2c54 s THR 33 N 1.15 4.93 0.00 2.92 -4.23 -0.53 -1.78 115.64 118.11 2c54 s THR 33 Ca -0.08 0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.75 2c54 s THR 33 Cb -0.20 -3.70 0.00 0.00 1.34 0.00 0.00 72.50 69.95 2c54 s THR 33 CO -0.05 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 174.34 2c54 n GLY 34 N -0.79 0.49 0.00 3.99 0.00 0.16 -2.85 105.19 106.19 2c54 n GLY 34 Ca 0.00 -0.61 0.13 0.00 0.00 0.00 0.00 46.02 45.54 2c54 n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2c54 n ALA 35 N 0.65 2.35 0.89 4.61 0.00 -0.94 -1.34 120.51 126.73 2c54 n ALA 35 Ca 0.00 -0.14 0.11 0.00 0.00 0.00 0.00 53.44 53.41 2c54 n ALA 35 Cb 0.00 -1.42 0.51 0.00 0.00 0.00 0.00 19.45 18.54 2c54 n ALA 35 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2c54 n GLY 36 N 0.77 -1.14 0.00 0.00 0.00 -1.26 -4.25 105.19 99.31 2c54 n GLY 36 Ca 0.15 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2c54 n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c54 n GLY 37 N 0.67 6.20 0.00 -0.02 0.00 -0.45 -3.91 105.19 107.68 2c54 n GLY 37 Ca 0.08 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 44.02 2c54 n GLY 37 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2c54 n PHE 38 N -0.04 0.00 -0.12 1.61 7.35 -1.26 -3.26 117.46 121.75 2c54 n PHE 38 Ca 0.00 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.59 2c54 n PHE 38 Cb 0.00 -0.43 -0.02 0.00 0.35 0.00 0.00 39.48 39.38 2c54 n PHE 38 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 2c54 h ILE 39 N 0.00 1.22 -0.69 -2.13 2.04 -1.93 -2.84 117.51 113.18 2c54 h ILE 39 Ca 0.00 -0.72 -0.00 0.00 1.00 0.00 0.00 64.86 65.14 2c54 h ILE 39 Cb 0.00 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 2c54 h ILE 39 CO 0.00 0.25 0.43 0.00 0.00 0.00 0.00 178.15 178.82 2c54 h ALA 40 N 0.94 1.45 -0.45 1.87 0.00 -1.78 -1.55 119.26 119.74 2c54 h ALA 40 Ca 0.11 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2c54 h ALA 40 Cb 0.28 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2c54 h ALA 40 CO -0.00 0.48 0.02 0.66 0.00 0.00 0.00 179.25 180.41 2c54 h SER 41 N 0.95 0.68 -0.49 0.00 4.64 -1.48 0.78 113.55 118.63 2c54 h SER 41 Ca 0.25 -0.15 -0.08 0.00 -0.47 0.00 0.00 61.79 61.34 2c54 h SER 41 Cb -0.06 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 61.84 2c54 h SER 41 CO -0.05 0.74 -0.02 0.45 -0.87 0.00 0.00 176.83 177.08 2c54 h HIS 42 N 0.68 0.96 -0.51 4.77 -0.00 -1.29 -0.87 115.15 118.88 2c54 h HIS 42 Ca 0.14 -0.17 -0.03 0.00 -0.00 0.00 0.00 60.37 60.30 2c54 h HIS 42 Cb 0.39 -0.25 -0.02 0.00 -0.00 0.00 0.00 27.41 27.53 2c54 h HIS 42 CO 0.02 0.91 0.18 0.82 -0.00 0.00 0.00 177.93 179.86 2c54 h ILE 43 N 0.73 1.22 -0.16 2.45 2.04 -1.00 -2.26 117.51 120.52 2c54 h ILE 43 Ca 0.14 -0.72 -0.02 0.00 1.00 0.00 0.00 64.86 65.25 2c54 h ILE 43 Cb 0.54 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 37.36 2c54 h ILE 43 CO 0.03 0.27 0.00 0.00 0.00 0.00 0.00 178.15 178.45 2c54 h ALA 44 N 1.03 0.22 -0.73 1.87 0.00 -0.76 -0.45 119.26 120.43 2c54 h ALA 44 Ca 0.17 -0.19 0.11 0.00 0.00 0.00 0.00 54.91 54.99 2c54 h ALA 44 Cb 0.24 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.89 2c54 h ALA 44 CO -0.01 -0.08 0.35 -0.09 0.00 0.00 0.00 179.25 179.41 2c54 h ARG 45 N 0.04 0.54 -0.10 0.00 2.43 -1.10 -0.47 114.38 115.72 2c54 h ARG 45 Ca 0.05 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 2c54 h ARG 45 Cb 0.37 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.79 2c54 h ARG 45 CO 0.01 0.36 -0.00 -0.09 -1.51 0.00 0.00 179.97 178.74 2c54 h ARG 46 N 0.56 0.18 -0.56 0.20 9.65 -1.11 -1.49 114.38 121.80 2c54 h ARG 46 Ca 0.37 -0.06 -0.08 0.00 -1.10 0.00 0.00 59.98 59.11 2c54 h ARG 46 Cb 0.46 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.00 2c54 h ARG 46 CO -0.31 0.44 0.01 -0.07 2.80 0.00 0.00 179.97 182.84 2c54 h LEU 47 N -0.10 0.93 -0.74 3.80 3.38 -0.85 -1.35 115.31 120.37 2c54 h LEU 47 Ca 0.03 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.73 2c54 h LEU 47 Cb 0.36 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 2c54 h LEU 47 CO 0.01 0.98 0.37 0.50 0.09 0.00 0.00 178.44 180.38 2c54 h LYS 48 N 0.89 1.06 -0.36 1.13 3.64 -1.02 -2.06 116.57 119.85 2c54 h LYS 48 Ca 0.17 -0.15 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2c54 h LYS 48 Cb 0.50 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 2c54 h LYS 48 CO 0.02 0.82 0.19 1.25 -2.27 0.00 0.00 179.45 179.46 2c54 h HIS 49 N 1.04 0.48 -0.00 1.91 2.76 -0.92 -1.47 115.15 118.95 2c54 h HIS 49 Ca 0.26 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.42 2c54 h HIS 49 Cb 0.10 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 28.90 2c54 h HIS 49 CO 0.01 0.35 -0.00 0.39 -1.30 0.00 0.00 177.93 177.37 2c54 n GLU 50 N -4.43 0.66 0.00 5.26 1.02 -0.54 -4.91 120.64 117.70 2c54 n GLU 50 Ca 0.02 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2c54 n GLU 50 Cb 0.10 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 2c54 n GLU 50 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2c54 n GLY 51 N 1.18 0.77 3.81 0.62 0.00 -0.55 -4.97 105.19 106.03 2c54 n GLY 51 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 2c54 n GLY 51 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2c54 s HIS 52 N -2.00 3.08 -0.40 1.61 3.76 -0.83 -4.72 115.29 115.79 2c54 s HIS 52 Ca 0.00 1.53 -0.21 0.00 -0.15 0.00 0.00 55.06 56.23 2c54 s HIS 52 Cb 0.00 -2.98 0.02 0.00 1.11 0.00 0.00 32.58 30.72 2c54 s HIS 52 CO 0.00 -0.85 0.68 -0.47 -0.85 0.00 0.00 174.74 173.26 2c54 s TYR 53 N -2.31 3.08 -0.26 1.40 6.14 -0.24 -4.36 117.35 120.80 2c54 s TYR 53 Ca 0.64 0.19 -0.08 0.00 0.64 0.00 0.00 57.07 58.46 2c54 s TYR 53 Cb -0.15 -3.35 -0.02 0.00 0.42 0.00 0.00 41.96 38.86 2c54 s TYR 53 CO 0.29 -0.80 0.08 0.08 0.64 0.00 0.00 175.55 175.85 2c54 s VAL 54 N 2.91 4.34 -0.44 3.14 1.01 -1.26 -0.97 120.40 129.13 2c54 s VAL 54 Ca 0.26 -0.23 -0.13 0.00 0.00 0.00 0.00 61.98 61.87 2c54 s VAL 54 Cb -0.14 -3.07 0.07 0.00 0.00 0.00 0.00 36.38 33.24 2c54 s VAL 54 CO 0.18 0.29 0.33 -0.63 0.00 0.00 0.00 175.10 175.27 2c54 s ILE 55 N 1.61 4.89 0.07 2.22 1.01 0.47 -0.42 121.20 131.05 2c54 s ILE 55 Ca 0.06 -1.11 -0.04 0.00 0.00 0.00 0.00 60.65 59.56 2c54 s ILE 55 Cb -0.15 -3.91 -0.05 0.00 0.01 0.00 0.00 42.46 38.36 2c54 s ILE 55 CO 0.04 -0.50 0.29 0.00 0.00 0.00 0.00 174.94 174.77 2c54 s ALA 56 N 1.58 3.87 0.02 9.38 0.00 0.21 -1.00 121.76 135.81 2c54 s ALA 56 Ca 0.04 -0.64 -0.11 0.00 0.00 0.00 0.00 51.96 51.25 2c54 s ALA 56 Cb -0.23 -2.03 0.01 0.00 0.00 0.00 0.00 23.12 20.87 2c54 s ALA 56 CO 0.06 0.70 0.22 -1.54 0.00 0.00 0.00 175.76 175.20 2c54 s SER 57 N -2.17 -0.04 -0.21 0.00 1.04 -0.73 -0.54 113.70 111.05 2c54 s SER 57 Ca 0.34 -0.21 -0.36 0.00 0.48 0.00 0.00 55.95 56.20 2c54 s SER 57 Cb -0.13 0.29 0.15 0.00 0.10 0.00 0.00 66.02 66.43 2c54 s SER 57 CO 0.22 -0.51 1.33 -0.62 0.98 0.00 0.00 173.24 174.65 2c54 s ASP 58 N -1.79 -0.05 0.00 7.02 -1.08 -0.91 -0.67 116.67 119.20 2c54 s ASP 58 Ca -0.09 -0.01 0.21 0.00 -0.52 0.00 0.00 52.55 52.14 2c54 s ASP 58 Cb -0.03 0.06 0.53 0.00 -1.46 0.00 0.00 42.92 42.02 2c54 s ASP 58 CO -0.01 -0.11 1.45 -2.67 0.52 0.00 0.00 175.17 174.35 2c54 n TRP 59 N -0.14 0.50 -4.10 -5.34 4.27 -1.15 -1.21 117.44 110.27 2c54 n TRP 59 Ca 0.01 -0.25 -0.15 0.00 -3.89 0.00 0.00 57.50 53.22 2c54 n TRP 59 Cb 0.58 0.00 -0.12 0.00 -1.36 0.00 0.00 31.31 30.42 2c54 n TRP 59 CO 0.00 0.00 0.00 -1.59 -2.29 0.00 0.00 177.69 173.81 2c54 s LYS 60 N -1.50 0.63 0.58 -2.67 -2.85 -1.26 -1.99 119.74 110.68 2c54 s LYS 60 Ca 0.37 -0.83 -0.17 0.00 -1.00 0.00 0.00 55.97 54.34 2c54 s LYS 60 Cb 0.21 -0.48 -0.04 0.00 -2.06 0.00 0.00 37.83 35.45 2c54 s LYS 60 CO 0.29 0.10 1.07 0.15 0.10 0.00 0.00 175.35 177.05 2c54 s LYS 61 N -1.64 3.33 0.33 1.78 1.02 -1.26 -4.22 119.74 119.07 2c54 s LYS 61 Ca -0.07 1.29 -0.29 0.00 0.02 0.00 0.00 55.97 56.91 2c54 s LYS 61 Cb -0.10 -2.03 -0.11 0.00 -0.52 0.00 0.00 37.83 35.07 2c54 s LYS 61 CO 0.01 -0.81 1.43 1.21 -0.92 0.00 0.00 175.35 176.27 2c54 s ASN 62 N -2.55 6.55 0.00 2.83 3.84 -1.25 -4.82 114.94 119.54 2c54 s ASN 62 Ca 0.65 2.84 0.24 0.00 0.21 0.00 0.00 52.86 56.81 2c54 s ASN 62 Cb -0.17 -2.65 0.29 0.00 -0.55 0.00 0.00 41.25 38.17 2c54 s ASN 62 CO 0.34 -0.73 1.27 -0.62 -2.79 0.00 0.00 177.10 174.57 2c54 n GLU 63 N 1.15 0.95 -0.01 0.43 1.02 -1.26 -4.56 120.64 118.36 2c54 n GLU 63 Ca 0.03 -0.71 -0.01 0.00 -0.02 0.00 0.00 57.16 56.44 2c54 n GLU 63 Cb 0.40 -1.49 -0.01 0.00 -0.02 0.00 0.00 31.44 30.32 2c54 n GLU 63 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2c54 n HIS 64 N -0.40 0.00 -4.80 -0.32 8.25 -1.26 -5.05 115.22 111.64 2c54 n HIS 64 Ca 0.10 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.28 2c54 n HIS 64 Cb 0.41 -0.08 -0.14 0.00 1.12 0.00 0.00 29.99 31.29 2c54 n HIS 64 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 2c54 s MET 65 N -2.04 1.63 0.67 -0.41 -1.94 -1.26 -5.13 119.30 110.81 2c54 s MET 65 Ca -0.01 -1.04 -0.15 0.00 -1.71 0.00 0.00 55.69 52.77 2c54 s MET 65 Cb 0.01 -1.79 0.00 0.00 2.01 0.00 0.00 34.83 35.06 2c54 s MET 65 CO 0.06 0.46 1.14 0.95 -0.01 0.00 0.00 175.02 177.62 2c54 s THR 66 N -0.80 3.01 0.34 2.05 -4.23 -1.26 -4.76 115.64 109.98 2c54 s THR 66 Ca 0.10 0.49 0.02 0.00 -1.18 0.00 0.00 61.69 61.12 2c54 s THR 66 Cb -0.09 -3.03 0.22 0.00 1.34 0.00 0.00 72.50 70.94 2c54 s THR 66 CO 0.02 -0.27 1.95 -0.33 -0.54 0.00 0.00 174.62 175.45 2c54 h GLU 67 N 0.06 0.76 -0.06 3.99 5.08 -1.96 -1.44 114.58 121.01 2c54 h GLU 67 Ca -0.47 -0.09 0.02 0.00 -1.00 0.00 0.00 59.36 57.82 2c54 h GLU 67 Cb 1.26 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 2c54 h GLU 67 CO 0.53 0.58 0.07 0.38 -1.00 0.00 0.00 179.01 179.57 2c54 h ASP 68 N 0.77 0.00 0.96 1.42 2.03 -1.92 -0.25 116.42 119.42 2c54 h ASP 68 Ca 0.19 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.47 2c54 h ASP 68 Cb 0.06 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.56 2c54 h ASP 68 CO -0.03 0.00 -0.10 0.24 -1.03 0.00 0.00 179.24 178.32 2c54 h MET 69 N 0.00 0.00 0.00 4.15 2.86 -1.63 -3.38 114.93 116.93 2c54 h MET 69 Ca 0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.67 2c54 h MET 69 Cb 0.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.82 2c54 h MET 69 CO -0.00 0.10 0.00 1.97 1.06 0.00 0.00 176.91 180.04 2c54 n PHE 70 N -3.24 0.00 -3.78 -0.22 -1.74 -0.75 -4.50 117.46 103.23 2c54 n PHE 70 Ca 0.00 0.00 -0.10 0.00 -0.56 0.00 0.00 57.45 56.80 2c54 n PHE 70 Cb 0.35 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.31 2c54 n PHE 70 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2c54 n ASP 72 N -0.28 0.14 -3.99 0.00 8.00 0.44 -4.38 116.55 116.47 2c54 n ASP 72 Ca -0.10 0.06 -0.14 0.00 0.71 0.00 0.00 54.79 55.32 2c54 n ASP 72 Cb 0.63 1.02 -0.13 0.00 -0.02 0.00 0.00 41.12 42.62 2c54 n ASP 72 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2c54 s GLU 73 N -2.71 0.44 -0.14 -1.24 2.02 -0.95 -5.01 118.70 111.11 2c54 s GLU 73 Ca -0.09 -0.41 -0.00 0.00 0.02 0.00 0.00 54.97 54.49 2c54 s GLU 73 Cb 0.08 -0.32 0.03 0.00 0.10 0.00 0.00 34.13 34.01 2c54 s GLU 73 CO 0.84 0.08 -0.09 0.12 0.02 0.00 0.00 175.26 176.22 2c54 s PHE 74 N -0.65 1.80 -0.27 1.61 2.19 -1.26 -0.62 117.98 120.78 2c54 s PHE 74 Ca -0.03 -1.01 -0.07 0.00 0.33 0.00 0.00 56.93 56.14 2c54 s PHE 74 Cb -0.05 -1.39 -0.01 0.00 -1.31 0.00 0.00 43.02 40.26 2c54 s PHE 74 CO 0.00 -0.60 0.07 -1.01 1.83 0.00 0.00 175.22 175.51 2c54 s HIS 75 N 1.61 3.10 -0.66 10.12 3.76 0.30 -5.00 115.29 128.51 2c54 s HIS 75 Ca 0.04 -0.66 -0.20 0.00 -0.15 0.00 0.00 55.06 54.09 2c54 s HIS 75 Cb -0.13 -2.24 0.10 0.00 1.11 0.00 0.00 32.58 31.41 2c54 s HIS 75 CO -0.09 -0.45 0.86 -1.17 -0.85 0.00 0.00 174.74 173.03 2c54 s LEU 76 N 1.57 4.98 -0.02 0.89 2.96 -1.25 -2.13 118.68 125.67 2c54 s LEU 76 Ca 0.05 -1.35 -0.15 0.00 -0.22 0.00 0.00 54.13 52.46 2c54 s LEU 76 Cb -0.16 -2.36 0.02 0.00 0.50 0.00 0.00 46.19 44.20 2c54 s LEU 76 CO 0.03 -1.23 0.32 0.68 -1.32 0.00 0.00 176.35 174.83 2c54 s VAL 77 N 3.19 0.05 -0.50 1.68 -7.23 -0.35 -4.94 120.40 112.30 2c54 s VAL 77 Ca 0.18 -0.43 -0.27 0.00 -1.81 0.00 0.00 61.98 59.65 2c54 s VAL 77 Cb -0.19 -0.62 0.03 0.00 0.56 0.00 0.00 36.38 36.17 2c54 s VAL 77 CO 0.06 -0.24 1.05 -0.62 -0.31 0.00 0.00 175.10 175.04 2c54 s ASP 78 N -1.23 6.51 0.00 4.85 2.15 -1.26 -2.93 116.67 124.76 2c54 s ASP 78 Ca -0.13 0.16 0.26 0.00 0.43 0.00 0.00 52.55 53.28 2c54 s ASP 78 Cb -0.05 -2.50 1.53 0.00 -0.30 0.00 0.00 42.92 41.60 2c54 s ASP 78 CO 0.04 -1.23 1.99 0.18 -0.17 0.00 0.00 175.17 175.98 2c54 n LEU 79 N 7.68 0.04 0.10 -1.34 4.77 -1.26 -1.86 117.00 125.12 2c54 n LEU 79 Ca 0.08 -0.01 0.11 0.00 -0.03 0.00 0.00 56.01 56.15 2c54 n LEU 79 Cb 0.49 -0.00 0.45 0.00 -2.33 0.00 0.00 43.42 42.02 2c54 n LEU 79 CO 0.68 0.01 0.83 0.54 -1.33 0.00 0.00 177.39 178.12 2c54 n ARG 80 N -0.88 0.15 -3.64 3.23 1.74 -1.26 -4.19 116.66 111.82 2c54 n ARG 80 Ca 0.19 0.37 -0.37 0.00 -0.77 0.00 0.00 57.85 57.28 2c54 n ARG 80 Cb 0.09 -1.78 -0.09 0.00 -1.02 0.00 0.00 32.46 29.66 2c54 n ARG 80 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2c54 s VAL 81 N -3.24 5.35 0.25 1.55 1.01 -0.78 -4.72 120.40 119.83 2c54 s VAL 81 Ca 0.05 0.21 -0.05 0.00 0.00 0.00 0.00 61.98 62.19 2c54 s VAL 81 Cb 0.10 -3.52 0.21 0.00 0.00 0.00 0.00 36.38 33.16 2c54 s VAL 81 CO 0.37 0.33 1.87 -0.03 0.00 0.00 0.00 175.10 177.64 2c54 h MET 82 N 7.58 1.14 -0.79 2.72 4.05 -1.87 -1.22 114.93 126.54 2c54 h MET 82 Ca -0.38 -0.14 0.07 0.00 -0.28 0.00 0.00 59.70 58.97 2c54 h MET 82 Cb 1.17 -0.22 -0.05 0.00 -0.80 0.00 0.00 31.60 31.70 2c54 h MET 82 CO 0.65 0.85 0.52 1.49 0.23 0.00 0.00 176.91 180.65 2c54 h GLU 83 N 1.14 0.80 -0.28 0.39 4.81 -1.94 0.35 114.58 119.85 2c54 h GLU 83 Ca 0.28 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.30 2c54 h GLU 83 Cb 0.06 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.26 2c54 h GLU 83 CO -0.04 0.53 -0.49 -0.91 -0.73 0.00 0.00 179.01 177.37 2c54 h ASN 84 N 0.82 0.82 -0.63 1.04 2.35 -1.51 -1.52 115.58 116.95 2c54 h ASN 84 Ca 0.35 -0.41 -0.01 0.00 -0.55 0.00 0.00 56.30 55.67 2c54 h ASN 84 Cb 0.29 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.39 2c54 h ASN 84 CO -0.12 1.17 0.37 0.00 -1.65 0.00 0.00 177.43 177.19 2c54 h LEU 86 N 0.86 0.36 -0.71 0.00 3.38 -0.89 -2.36 115.31 115.95 2c54 h LEU 86 Ca 0.23 -0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.31 2c54 h LEU 86 Cb 0.01 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 40.59 2c54 h LEU 86 CO -0.04 0.26 0.30 0.50 0.09 0.00 0.00 178.44 179.55 2c54 h LYS 87 N 0.44 0.47 -0.01 1.13 3.64 -0.83 -1.79 116.57 119.62 2c54 h LYS 87 Ca 0.13 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2c54 h LYS 87 Cb -0.02 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 2c54 h LYS 87 CO -0.05 0.31 -0.02 1.33 -2.27 0.00 0.00 179.45 178.75 2c54 n VAL 88 N -4.96 0.00 0.38 2.00 0.24 -0.85 -3.38 118.33 111.76 2c54 n VAL 88 Ca 0.12 -0.19 0.04 0.00 -2.04 0.00 0.00 64.34 62.27 2c54 n VAL 88 Cb 0.34 0.30 -0.03 0.00 -1.47 0.00 0.00 33.84 32.99 2c54 n VAL 88 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 2c54 n THR 89 N -0.12 0.00 -1.68 3.34 -2.24 -0.90 -4.74 114.28 107.94 2c54 n THR 89 Ca 0.19 -0.36 -0.46 0.00 -2.27 0.00 0.00 64.05 61.16 2c54 n THR 89 Cb 0.31 1.05 -0.04 0.00 -2.10 0.00 0.00 70.33 69.55 2c54 n THR 89 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2c54 n GLU 90 N -0.77 2.39 -0.90 -0.78 4.07 -0.72 -1.74 120.64 122.20 2c54 n GLU 90 Ca 0.02 0.87 0.00 0.00 -0.06 0.00 0.00 57.16 58.00 2c54 n GLU 90 Cb 0.15 -2.72 0.00 0.00 -0.06 0.00 0.00 31.44 28.81 2c54 n GLU 90 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2c54 n GLY 91 N 4.10 0.46 3.82 8.31 0.00 -1.26 -5.00 105.19 115.62 2c54 n GLY 91 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.88 2c54 n GLY 91 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2c54 s VAL 92 N -2.22 4.46 -0.15 1.61 1.01 -0.71 -4.89 120.40 119.51 2c54 s VAL 92 Ca 0.00 1.35 -0.17 0.00 0.00 0.00 0.00 61.98 63.17 2c54 s VAL 92 Cb 0.00 -3.64 -0.14 0.00 0.00 0.00 0.00 36.38 32.60 2c54 s VAL 92 CO 0.00 -0.23 0.23 0.44 0.00 0.00 0.00 175.10 175.54 2c54 h ASP 93 N 2.16 0.00 -4.33 3.32 3.32 -1.28 -3.39 116.42 116.22 2c54 h ASP 93 Ca -0.48 -0.43 -0.46 0.00 0.02 0.00 0.00 57.03 55.68 2c54 h ASP 93 Cb 1.18 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.49 2c54 h ASP 93 CO 0.63 1.01 -0.80 -1.00 -1.72 0.00 0.00 179.24 177.35 2c54 s HIS 94 N -2.14 1.33 -0.04 4.55 3.76 -1.09 -0.95 115.29 120.71 2c54 s HIS 94 Ca -0.18 -0.37 0.06 0.00 -0.15 0.00 0.00 55.06 54.42 2c54 s HIS 94 Cb 0.02 -0.78 -0.01 0.00 1.11 0.00 0.00 32.58 32.91 2c54 s HIS 94 CO 0.42 0.05 -0.21 0.08 -0.85 0.00 0.00 174.74 174.24 2c54 s VAL 95 N -0.92 1.70 -0.31 -0.90 1.01 -0.28 -1.45 120.40 119.24 2c54 s VAL 95 Ca 0.02 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 2c54 s VAL 95 Cb -0.08 -1.43 0.06 0.00 0.00 0.00 0.00 36.38 34.93 2c54 s VAL 95 CO 0.02 0.48 0.01 -0.36 0.00 0.00 0.00 175.10 175.25 2c54 s PHE 96 N -0.25 3.34 -0.74 5.22 0.40 0.50 -0.60 117.98 125.86 2c54 s PHE 96 Ca 0.01 -2.07 -0.16 0.00 -0.60 0.00 0.00 56.93 54.12 2c54 s PHE 96 Cb -0.11 -2.28 0.17 0.00 0.51 0.00 0.00 43.02 41.32 2c54 s PHE 96 CO 0.01 -0.84 0.74 1.21 0.70 0.00 0.00 175.22 177.03 2c54 s ASN 97 N 1.28 6.53 0.00 1.36 2.47 0.36 -1.45 114.94 125.50 2c54 s ASN 97 Ca -0.03 -2.23 0.07 0.00 0.42 0.00 0.00 52.86 51.08 2c54 s ASN 97 Cb -0.20 -2.24 0.00 0.00 -1.45 0.00 0.00 41.25 37.36 2c54 s ASN 97 CO -0.02 -0.77 0.52 0.18 -3.72 0.00 0.00 177.10 173.28 2c54 n LEU 98 N 4.89 1.01 -4.73 3.21 4.32 -1.13 -3.27 117.00 121.29 2c54 n LEU 98 Ca 0.05 -0.78 -0.42 0.00 -0.02 0.00 0.00 56.01 54.85 2c54 n LEU 98 Cb 0.45 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.22 2c54 n LEU 98 CO 0.44 0.21 1.18 0.00 -1.22 0.00 0.00 177.39 177.99 2c54 s ALA 99 N -1.02 3.71 -0.16 -1.18 0.00 -1.14 -4.65 121.76 117.32 2c54 s ALA 99 Ca 0.06 1.38 -0.30 0.00 0.00 0.00 0.00 51.96 53.09 2c54 s ALA 99 Cb 0.05 -3.60 0.13 0.00 0.00 0.00 0.00 23.12 19.71 2c54 s ALA 99 CO 0.16 -0.79 1.03 0.00 0.00 0.00 0.00 175.76 176.16 2c54 s ALA 100 N 0.47 -1.95 -0.48 0.00 0.00 -1.26 -4.85 121.76 113.70 2c54 s ALA 100 Ca 0.64 1.57 -0.21 0.00 0.00 0.00 0.00 51.96 53.96 2c54 s ALA 100 Cb -0.43 -0.67 0.04 0.00 0.00 0.00 0.00 23.12 22.05 2c54 s ALA 100 CO 0.39 -0.34 0.69 0.34 0.00 0.00 0.00 175.76 176.84 2c54 s ASP 101 N -1.25 6.30 0.28 0.00 -1.08 -1.26 -5.00 116.67 114.65 2c54 s ASP 101 Ca 0.00 -0.50 -0.10 0.00 -0.52 0.00 0.00 52.55 51.43 2c54 s ASP 101 Cb -0.01 -2.33 0.04 0.00 -1.46 0.00 0.00 42.92 39.16 2c54 s ASP 101 CO -0.00 -0.89 0.54 0.80 0.52 0.00 0.00 175.17 176.14 2c54 n MET 102 N 6.44 0.78 -3.04 4.34 0.00 -1.26 -4.80 117.12 119.58 2c54 n MET 102 Ca -0.02 -1.59 0.00 0.00 -0.00 0.00 0.00 57.70 56.09 2c54 n MET 102 Cb 0.47 1.95 0.00 0.00 0.00 0.00 0.00 33.22 35.64 2c54 n MET 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2c54 n GLY 103 N -0.38 -1.17 0.00 -5.12 0.00 -1.26 -4.93 105.19 92.33 2c54 n GLY 103 Ca -0.06 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2c54 n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c54 n GLY 104 N 0.00 -0.67 0.28 -0.02 0.00 -0.23 -4.62 105.19 99.94 2c54 n GLY 104 Ca 0.00 -1.70 0.13 0.00 0.00 0.00 0.00 46.02 44.45 2c54 n GLY 104 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2c54 h MET 105 N 0.00 0.00 0.00 1.61 2.86 -1.87 0.10 114.93 117.62 2c54 h MET 105 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2c54 h MET 105 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 2c54 h MET 105 CO 0.00 0.03 0.00 0.78 1.06 0.00 0.00 176.91 178.78 2c54 h GLY 106 N 0.13 0.00 0.00 8.32 0.00 -1.84 -3.26 103.07 106.42 2c54 h GLY 106 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.05 2c54 h GLY 106 CO 0.00 0.00 -1.96 0.33 0.00 0.00 0.00 176.54 174.91 2c54 n PHE 107 N -3.05 0.00 0.06 5.60 7.35 -0.30 -0.61 117.46 126.52 2c54 n PHE 107 Ca -0.01 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.65 2c54 n PHE 107 Cb 0.22 -0.62 0.21 0.00 0.35 0.00 0.00 39.48 39.63 2c54 n PHE 107 CO 0.00 0.00 0.00 -0.84 -0.76 0.00 0.00 176.76 175.16 2c54 h ILE 108 N -0.51 1.29 -0.00 -2.13 3.07 -1.13 -2.86 117.51 115.25 2c54 h ILE 108 Ca -0.43 -1.45 0.00 0.00 1.55 0.00 0.00 64.86 64.53 2c54 h ILE 108 Cb 1.42 1.58 0.00 0.00 -0.27 0.00 0.00 36.82 39.55 2c54 h ILE 108 CO -0.23 0.44 -0.06 0.00 -1.05 0.00 0.00 178.15 177.25 2c54 n GLN 109 N -4.05 0.37 -0.03 0.16 6.02 -1.23 -3.44 117.38 115.18 2c54 n GLN 109 Ca -0.01 -0.06 0.04 0.00 -0.01 0.00 0.00 57.00 56.95 2c54 n GLN 109 Cb 0.46 -1.50 0.05 0.00 1.02 0.00 0.00 30.24 30.27 2c54 n GLN 109 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2c54 n SER 110 N -1.26 1.84 -2.66 1.08 3.41 -1.11 -4.71 113.62 110.21 2c54 n SER 110 Ca 0.12 -1.46 -0.09 0.00 -0.26 0.00 0.00 58.87 57.18 2c54 n SER 110 Cb 0.28 -0.03 0.03 0.00 -0.26 0.00 0.00 64.21 64.23 2c54 n SER 110 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2c54 n ASN 111 N 0.36 2.06 -0.08 4.04 3.02 -1.09 -3.47 115.26 120.09 2c54 n ASN 111 Ca 0.05 -2.63 -0.08 0.00 -0.03 0.00 0.00 54.58 51.89 2c54 n ASN 111 Cb 0.23 -0.49 -0.00 0.00 -0.61 0.00 0.00 39.78 38.90 2c54 n ASN 111 CO 0.00 0.00 0.00 0.45 -2.62 0.00 0.00 177.26 175.09 2c54 h HIS 112 N 2.76 0.24 -0.13 3.10 3.86 -1.84 -2.12 115.15 121.01 2c54 h HIS 112 Ca -0.04 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.16 2c54 h HIS 112 Cb 1.21 -0.06 -0.00 0.00 1.06 0.00 0.00 27.41 29.62 2c54 h HIS 112 CO 0.56 0.12 -0.02 0.77 0.86 0.00 0.00 177.93 180.22 2c54 h SER 113 N 0.28 0.24 -0.49 2.45 0.02 -1.92 -1.62 113.55 112.51 2c54 h SER 113 Ca 0.13 -0.35 -0.08 0.00 -0.84 0.00 0.00 61.79 60.64 2c54 h SER 113 Cb 0.07 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 2c54 h SER 113 CO -0.11 0.54 0.00 1.62 -1.14 0.00 0.00 176.83 177.74 2c54 h VAL 114 N -0.06 1.25 0.26 2.27 3.04 -1.74 -0.40 116.25 120.88 2c54 h VAL 114 Ca 0.03 -1.08 -0.01 0.00 -1.01 0.00 0.00 66.70 64.64 2c54 h VAL 114 Cb 0.43 0.84 0.00 0.00 -2.01 0.00 0.00 31.29 30.55 2c54 h VAL 114 CO 0.01 0.38 -0.13 0.40 -1.01 0.00 0.00 177.57 177.23 2c54 h ILE 115 N 0.85 0.73 -0.31 3.17 2.04 -1.33 0.09 117.51 122.74 2c54 h ILE 115 Ca 0.16 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.01 2c54 h ILE 115 Cb 0.50 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 2c54 h ILE 115 CO 0.02 0.00 0.17 -0.03 0.00 0.00 0.00 178.15 178.32 2c54 h MET 116 N -0.36 0.43 0.25 2.37 4.05 -1.03 -0.67 114.93 119.97 2c54 h MET 116 Ca -0.03 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.32 2c54 h MET 116 Cb 0.28 -0.09 0.00 0.00 -0.80 0.00 0.00 31.60 31.00 2c54 h MET 116 CO 0.05 0.37 -0.12 -0.92 0.23 0.00 0.00 176.91 176.52 2c54 h TYR 117 N 0.38 -0.31 -0.22 1.39 3.20 -1.05 -2.42 116.97 117.95 2c54 h TYR 117 Ca 0.11 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.97 2c54 h TYR 117 Cb 0.06 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 2c54 h TYR 117 CO -0.03 0.01 0.14 -0.91 -1.64 0.00 0.00 178.16 175.73 2c54 h ASN 118 N -0.65 0.26 0.07 -2.11 2.35 -0.94 -1.87 115.58 112.69 2c54 h ASN 118 Ca -0.03 -0.03 -0.18 0.00 -0.55 0.00 0.00 56.30 55.51 2c54 h ASN 118 Cb 0.46 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.76 2c54 h ASN 118 CO 0.06 0.21 -0.66 0.78 -1.65 0.00 0.00 177.43 176.17 2c54 h ASN 119 N 0.29 0.64 -0.32 5.81 2.35 -1.20 -1.43 115.58 121.73 2c54 h ASN 119 Ca 0.08 -0.39 -0.01 0.00 -0.55 0.00 0.00 56.30 55.44 2c54 h ASN 119 Cb -0.01 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 2c54 h ASN 119 CO -0.02 1.13 0.17 0.74 -1.65 0.00 0.00 177.43 177.80 2c54 h THR 120 N 0.40 1.14 -0.42 2.81 2.02 -1.37 -0.78 112.91 116.71 2c54 h THR 120 Ca -0.02 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 2c54 h THR 120 Cb 1.23 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 68.44 2c54 h THR 120 CO 0.12 0.14 0.21 0.24 0.37 0.00 0.00 175.52 176.60 2c54 h MET 121 N 0.39 0.59 0.10 6.66 2.86 -1.15 0.50 114.93 124.88 2c54 h MET 121 Ca 0.11 -0.08 0.02 0.00 -2.06 0.00 0.00 59.70 57.69 2c54 h MET 121 Cb 0.08 -0.11 -0.04 0.00 0.06 0.00 0.00 31.60 31.59 2c54 h MET 121 CO -0.02 0.51 -0.31 0.82 1.06 0.00 0.00 176.91 178.97 2c54 h ILE 122 N 0.53 0.33 -0.01 -1.22 2.04 -1.17 -2.13 117.51 115.87 2c54 h ILE 122 Ca 0.14 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.79 2c54 h ILE 122 Cb 0.11 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 36.51 2c54 h ILE 122 CO -0.02 0.00 -0.89 0.28 0.00 0.00 0.00 178.15 177.52 2c54 h SER 123 N -0.52 0.47 -0.21 1.72 0.02 -0.98 0.41 113.55 114.46 2c54 h SER 123 Ca 0.04 -0.36 -0.07 0.00 -0.84 0.00 0.00 61.79 60.55 2c54 h SER 123 Cb 0.56 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 2c54 h SER 123 CO -0.20 1.15 -0.13 -0.26 -1.14 0.00 0.00 176.83 176.25 2c54 h PHE 124 N 0.22 0.53 -0.35 3.45 -1.00 -0.95 -2.06 116.94 116.78 2c54 h PHE 124 Ca -0.06 -0.14 -0.05 0.00 2.81 0.00 0.00 57.97 60.52 2c54 h PHE 124 Cb 1.51 -0.12 -0.02 0.00 3.61 0.00 0.00 35.95 40.93 2c54 h PHE 124 CO 0.05 0.77 -0.02 -0.91 -1.61 0.00 0.00 178.31 176.59 2c54 h ASN 125 N 0.15 0.52 -0.37 2.17 2.35 -1.33 -2.22 115.58 116.85 2c54 h ASN 125 Ca 0.04 -0.10 -0.16 0.00 -0.55 0.00 0.00 56.30 55.53 2c54 h ASN 125 Cb 0.64 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 2c54 h ASN 125 CO 0.04 0.60 -0.40 0.24 -1.65 0.00 0.00 177.43 176.26 2c54 h MET 126 N 0.52 0.93 -0.19 0.81 2.86 -0.78 0.06 114.93 119.15 2c54 h MET 126 Ca 0.11 -0.50 -0.19 0.00 -2.06 0.00 0.00 59.70 57.07 2c54 h MET 126 Cb 0.36 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 2c54 h MET 126 CO 0.01 1.15 -0.63 0.97 1.06 0.00 0.00 176.91 179.47 2c54 h ILE 127 N 0.75 1.31 -0.51 -1.22 6.09 -1.28 -0.79 117.51 121.86 2c54 h ILE 127 Ca 0.06 -1.87 -0.11 0.00 -1.37 0.00 0.00 64.86 61.56 2c54 h ILE 127 Cb 0.99 1.83 -0.02 0.00 0.47 0.00 0.00 36.82 40.10 2c54 h ILE 127 CO 0.10 0.59 -0.12 -0.08 -3.07 0.00 0.00 178.15 175.57 2c54 h GLU 128 N 0.50 0.98 -0.79 2.19 4.57 -1.34 -0.44 114.58 120.24 2c54 h GLU 128 Ca -0.01 -0.37 -0.01 0.00 -1.18 0.00 0.00 59.36 57.79 2c54 h GLU 128 Cb 1.22 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.71 2c54 h GLU 128 CO 0.13 1.05 0.47 0.00 -1.18 0.00 0.00 179.01 179.47 2c54 h ALA 129 N 0.90 1.01 -0.60 2.92 0.00 -0.88 -0.72 119.26 121.89 2c54 h ALA 129 Ca 0.13 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.98 2c54 h ALA 129 Cb 0.68 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 2c54 h ALA 129 CO 0.05 0.49 0.35 0.00 0.00 0.00 0.00 179.25 180.13 2c54 h ALA 130 N 1.25 0.79 0.20 0.00 0.00 -0.85 -0.74 119.26 119.91 2c54 h ALA 130 Ca 0.28 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2c54 h ALA 130 Cb -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2c54 h ALA 130 CO -0.05 0.05 -0.09 -0.09 0.00 0.00 0.00 179.25 179.06 2c54 h ARG 131 N 0.67 -0.25 -0.79 0.00 2.43 -0.58 -0.64 114.38 115.21 2c54 h ARG 131 Ca 0.26 0.02 0.12 0.00 -0.81 0.00 0.00 59.98 59.57 2c54 h ARG 131 Cb 0.10 0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 29.62 2c54 h ARG 131 CO -0.14 -0.09 0.40 0.82 -1.51 0.00 0.00 179.97 179.46 2c54 h ILE 132 N -0.37 0.78 -0.26 1.20 2.04 -0.96 -2.76 117.51 117.19 2c54 h ILE 132 Ca -0.03 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.62 2c54 h ILE 132 Cb 0.29 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 2c54 h ILE 132 CO 0.04 0.11 0.00 0.59 0.00 0.00 0.00 178.15 178.90 2c54 n ASN 133 N -4.86 2.30 -0.21 1.72 3.02 -0.30 -4.94 115.26 111.98 2c54 n ASN 133 Ca 0.14 -1.83 -0.01 0.00 -0.03 0.00 0.00 54.58 52.85 2c54 n ASN 133 Cb 0.36 -0.17 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 2c54 n ASN 133 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c54 n GLY 134 N 1.25 0.42 3.77 7.41 0.00 -0.85 -4.52 105.19 112.67 2c54 n GLY 134 Ca 0.17 -0.81 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 2c54 n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2c54 s ILE 135 N -2.22 2.91 -0.05 -0.61 1.09 -0.30 -4.94 121.20 117.07 2c54 s ILE 135 Ca 0.01 0.90 0.06 0.00 -1.10 0.00 0.00 60.65 60.52 2c54 s ILE 135 Cb -0.00 -3.58 -0.24 0.00 -1.06 0.00 0.00 42.46 37.58 2c54 s ILE 135 CO 0.01 0.21 0.62 0.11 -0.10 0.00 0.00 174.94 175.79 2c54 h LYS 136 N 3.59 0.09 -3.26 2.79 1.57 -1.30 -3.45 116.57 116.60 2c54 h LYS 136 Ca -0.48 -0.16 -0.18 0.00 -1.87 0.00 0.00 60.65 57.96 2c54 h LYS 136 Cb 1.22 0.06 -0.27 0.00 0.08 0.00 0.00 32.23 33.33 2c54 h LYS 136 CO 0.66 0.75 -0.50 0.50 -0.57 0.00 0.00 179.45 180.30 2c54 s ARG 137 N -2.59 0.22 -0.13 3.15 3.52 -1.20 -1.57 118.95 120.34 2c54 s ARG 137 Ca -0.10 0.28 -0.04 0.00 -0.13 0.00 0.00 55.73 55.75 2c54 s ARG 137 Cb 0.08 0.09 0.06 0.00 -1.56 0.00 0.00 34.95 33.61 2c54 s ARG 137 CO 0.81 -0.04 0.15 0.12 -0.81 0.00 0.00 175.30 175.54 2c54 s PHE 138 N 0.19 -0.11 -0.09 5.12 2.19 0.01 -1.13 117.98 124.16 2c54 s PHE 138 Ca -0.01 0.30 -0.14 0.00 0.33 0.00 0.00 56.93 57.41 2c54 s PHE 138 Cb -0.02 -0.39 -0.05 0.00 -1.31 0.00 0.00 43.02 41.25 2c54 s PHE 138 CO -0.00 -0.40 0.34 0.12 1.83 0.00 0.00 175.22 177.10 2c54 s PHE 139 N 2.26 3.58 -0.12 10.12 5.36 0.23 -0.87 117.98 138.54 2c54 s PHE 139 Ca 0.04 0.77 0.03 0.00 -0.96 0.00 0.00 56.93 56.81 2c54 s PHE 139 Cb -0.14 -2.29 0.01 0.00 -0.34 0.00 0.00 43.02 40.25 2c54 s PHE 139 CO -0.08 0.45 -0.23 -0.47 -1.46 0.00 0.00 175.22 173.43 2c54 s TYR 140 N -0.28 2.62 -0.69 10.12 5.04 -0.20 -0.49 117.35 133.47 2c54 s TYR 140 Ca 0.20 -1.23 -0.24 0.00 -2.44 0.00 0.00 57.07 53.36 2c54 s TYR 140 Cb -0.14 -1.77 0.06 0.00 0.35 0.00 0.00 41.96 40.45 2c54 s TYR 140 CO 0.08 -0.54 1.08 0.00 -1.34 0.00 0.00 175.55 174.83 2c54 s ALA 141 N 0.63 2.99 0.30 3.97 0.00 -1.20 -2.35 121.76 126.09 2c54 s ALA 141 Ca -0.12 -1.71 0.00 0.00 0.00 0.00 0.00 51.96 50.13 2c54 s ALA 141 Cb -0.16 -4.00 0.00 0.00 0.00 0.00 0.00 23.12 18.95 2c54 s ALA 141 CO 0.02 -2.96 0.00 0.45 0.00 0.00 0.00 175.76 173.28 2c54 n SER 142 N 8.25 0.00 -3.75 0.00 2.88 0.76 -4.97 113.62 116.79 2c54 n SER 142 Ca -0.01 -0.78 -0.13 0.00 -1.33 0.00 0.00 58.87 56.62 2c54 n SER 142 Cb 0.47 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.84 2c54 n SER 142 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2c54 s SER 143 N -1.00 -0.22 0.61 -3.46 0.15 -1.26 -1.82 113.70 106.70 2c54 s SER 143 Ca 0.00 0.15 0.29 0.00 0.70 0.00 0.00 55.95 57.09 2c54 s SER 143 Cb 0.00 0.35 1.53 0.00 -1.71 0.00 0.00 66.02 66.20 2c54 s SER 143 CO 0.00 -0.42 1.92 0.00 1.20 0.00 0.00 173.24 175.94 2c54 h ALA 144 N 4.01 1.91 0.00 5.45 0.00 -1.35 -2.02 119.26 127.26 2c54 h ALA 144 Ca -0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2c54 h ALA 144 Cb 1.18 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2c54 h ALA 144 CO 0.39 -0.56 0.00 0.00 0.00 0.00 0.00 179.25 179.08 2c54 h ILE 146 N 0.00 0.20 -4.24 0.00 -0.00 -1.55 -3.38 117.51 108.53 2c54 h ILE 146 Ca 0.00 -0.72 -0.50 0.00 -0.00 0.00 0.00 64.86 63.64 2c54 h ILE 146 Cb 0.15 1.60 0.08 0.00 -0.00 0.00 0.00 36.82 38.64 2c54 h ILE 146 CO 0.00 0.08 0.37 -0.31 -0.00 0.00 0.00 178.15 178.29 2c54 s TYR 147 N -3.67 2.99 0.27 0.16 2.02 -0.91 -4.21 117.35 113.99 2c54 s TYR 147 Ca 0.01 1.49 -0.29 0.00 -0.37 0.00 0.00 57.07 57.90 2c54 s TYR 147 Cb 0.09 -2.98 -0.10 0.00 -0.40 0.00 0.00 41.96 38.58 2c54 s TYR 147 CO 0.58 -1.21 1.32 -2.14 -1.57 0.00 0.00 175.55 172.53 2c54 s PRO 148 N -4.39 4.37 0.37 -1.71 0.02 -1.26 -4.10 135.00 128.30 2c54 s PRO 148 Ca 0.62 2.15 0.08 0.00 0.02 0.00 0.00 61.00 63.87 2c54 s PRO 148 Cb -0.16 -3.12 0.80 0.00 0.02 0.00 0.00 34.50 32.04 2c54 s PRO 148 CO 0.43 -0.22 1.93 1.49 -0.33 0.00 0.00 177.00 180.31 2c54 h GLU 149 N 4.31 0.67 0.00 5.54 4.81 -1.22 -2.03 114.58 126.67 2c54 h GLU 149 Ca -0.47 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 2c54 h GLU 149 Cb 1.22 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.45 2c54 h GLU 149 CO 0.71 0.45 0.00 1.97 -0.73 0.00 0.00 179.01 181.41 2c54 n PHE 150 N -4.50 0.23 1.50 0.92 1.16 -1.26 -1.17 117.46 114.34 2c54 n PHE 150 Ca 0.13 0.09 0.14 0.00 -1.87 0.00 0.00 57.45 55.93 2c54 n PHE 150 Cb 0.32 -0.64 0.53 0.00 -1.61 0.00 0.00 39.48 38.07 2c54 n PHE 150 CO 0.00 0.00 0.00 1.63 -1.87 0.00 0.00 176.76 176.52 2c54 n LYS 151 N -1.71 1.66 -1.42 3.97 5.02 -0.76 -4.42 118.16 120.50 2c54 n LYS 151 Ca 0.04 -0.96 0.01 0.00 -2.02 0.00 0.00 58.31 55.38 2c54 n LYS 151 Cb 0.21 -1.48 0.09 0.00 -0.02 0.00 0.00 35.03 33.83 2c54 n LYS 151 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2c54 n GLN 152 N 0.16 1.17 0.00 1.97 6.02 -0.32 -4.71 117.38 121.68 2c54 n GLN 152 Ca 0.19 -2.89 0.11 0.00 -0.01 0.00 0.00 57.00 54.40 2c54 n GLN 152 Cb 0.35 -1.02 0.02 0.00 1.02 0.00 0.00 30.24 30.61 2c54 n GLN 152 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2c54 n LEU 153 N -0.34 0.78 -4.63 1.08 4.77 -1.24 -1.43 117.00 115.99 2c54 n LEU 153 Ca 0.15 -0.28 -0.28 0.00 -0.03 0.00 0.00 56.01 55.56 2c54 n LEU 153 Cb 0.92 -0.09 -0.11 0.00 -2.33 0.00 0.00 43.42 41.81 2c54 n LEU 153 CO 0.02 0.19 -0.29 -1.61 -1.33 0.00 0.00 177.39 174.37 2c54 s GLU 154 N -3.02 1.98 0.00 3.23 0.41 -1.26 -4.75 118.70 115.28 2c54 s GLU 154 Ca 0.08 -2.13 0.27 0.00 -0.41 0.00 0.00 54.97 52.79 2c54 s GLU 154 Cb 0.16 -1.64 0.88 0.00 -1.78 0.00 0.00 34.13 31.76 2c54 s GLU 154 CO 0.81 -0.07 1.64 0.25 -0.49 0.00 0.00 175.26 177.40 2c54 n THR 155 N -0.99 0.00 -4.06 3.63 -2.24 -1.26 -2.78 114.28 106.58 2c54 n THR 155 Ca -0.06 -0.25 -0.09 0.00 -2.27 0.00 0.00 64.05 61.38 2c54 n THR 155 Cb 0.67 0.61 -0.10 0.00 -2.10 0.00 0.00 70.33 69.40 2c54 n THR 155 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2c54 s THR 156 N -2.10 0.26 -1.26 4.28 -4.23 -1.26 -4.79 115.64 106.53 2c54 s THR 156 Ca 0.34 -1.45 -0.03 0.00 -1.18 0.00 0.00 61.69 59.37 2c54 s THR 156 Cb 0.20 -1.02 -0.01 0.00 1.34 0.00 0.00 72.50 73.02 2c54 s THR 156 CO 0.37 -0.76 0.74 0.59 -0.54 0.00 0.00 174.62 175.02 2c54 n ASN 157 N 0.73 -2.18 -0.58 3.99 3.02 -1.26 -4.94 115.26 114.04 2c54 n ASN 157 Ca -0.18 -0.83 0.06 0.00 -0.03 0.00 0.00 54.58 53.60 2c54 n ASN 157 Cb 0.58 -4.10 0.12 0.00 -0.61 0.00 0.00 39.78 35.78 2c54 n ASN 157 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2c54 n VAL 158 N -4.16 1.39 -2.31 2.41 0.24 -1.26 -5.00 118.33 109.64 2c54 n VAL 158 Ca -0.25 -2.07 -0.38 0.00 -2.04 0.00 0.00 64.34 59.59 2c54 n VAL 158 Cb 0.66 0.09 -0.02 0.00 -1.47 0.00 0.00 33.84 33.10 2c54 n VAL 158 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2c54 s SER 159 N -2.58 6.63 -0.23 -1.34 1.04 -1.26 -1.93 113.70 114.02 2c54 s SER 159 Ca 0.30 2.35 0.02 0.00 0.48 0.00 0.00 55.95 59.09 2c54 s SER 159 Cb 0.29 -2.62 0.04 0.00 0.10 0.00 0.00 66.02 63.84 2c54 s SER 159 CO -0.05 -0.60 -0.14 -0.76 0.98 0.00 0.00 173.24 172.67 2c54 s LEU 160 N -2.35 2.95 0.38 2.42 1.43 -0.33 -4.87 118.68 118.31 2c54 s LEU 160 Ca 0.55 -1.07 -0.01 0.00 -1.03 0.00 0.00 54.13 52.57 2c54 s LEU 160 Cb -0.31 -1.54 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 2c54 s LEU 160 CO 0.39 -0.12 0.61 -1.59 0.23 0.00 0.00 176.35 175.88 2c54 s LYS 161 N 1.19 3.50 0.38 1.70 -2.85 -1.26 -2.09 119.74 120.31 2c54 s LYS 161 Ca -0.03 -0.19 0.05 0.00 -1.00 0.00 0.00 55.97 54.80 2c54 s LYS 161 Cb -0.17 -2.59 0.74 0.00 -2.06 0.00 0.00 37.83 33.75 2c54 s LYS 161 CO -0.08 0.06 2.02 0.93 0.10 0.00 0.00 175.35 178.38 2c54 h GLU 162 N 0.64 0.67 0.00 1.78 3.07 -1.91 0.36 114.58 119.18 2c54 h GLU 162 Ca -0.49 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.32 2c54 h GLU 162 Cb 1.21 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 28.98 2c54 h GLU 162 CO 0.61 0.46 0.00 -1.13 -1.40 0.00 0.00 179.01 177.55 2c54 n SER 163 N -4.44 0.00 0.00 1.42 3.41 -1.26 -2.07 113.62 110.67 2c54 n SER 163 Ca 0.04 0.21 0.10 0.00 -0.26 0.00 0.00 58.87 58.96 2c54 n SER 163 Cb 0.07 -0.37 0.49 0.00 -0.26 0.00 0.00 64.21 64.14 2c54 n SER 163 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2c54 n ASP 164 N -1.37 0.00 0.00 4.04 8.00 0.12 -3.55 116.55 123.78 2c54 n ASP 164 Ca 0.07 0.32 0.00 0.00 0.71 0.00 0.00 54.79 55.89 2c54 n ASP 164 Cb 0.18 -0.43 0.31 0.00 -0.02 0.00 0.00 41.12 41.16 2c54 n ASP 164 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2c54 h ALA 165 N 2.84 1.40 -4.21 2.24 0.00 -1.57 -3.40 119.26 116.56 2c54 h ALA 165 Ca 0.00 -0.19 -0.55 0.00 0.00 0.00 0.00 54.91 54.17 2c54 h ALA 165 Cb 0.31 -0.15 -0.30 0.00 0.00 0.00 0.00 17.79 17.66 2c54 h ALA 165 CO 0.00 0.42 -0.84 -1.58 0.00 0.00 0.00 179.25 177.26 2c54 s TRP 166 N -4.99 1.62 0.46 0.00 0.52 -1.23 -3.42 118.94 111.90 2c54 s TRP 166 Ca -0.08 -0.35 -0.24 0.00 0.02 0.00 0.00 56.10 55.45 2c54 s TRP 166 Cb 0.16 -1.06 -0.07 0.00 -1.15 0.00 0.00 33.47 31.34 2c54 s TRP 166 CO 0.76 -0.07 1.33 -2.14 0.02 0.00 0.00 176.95 176.86 2c54 s PRO 167 N -0.29 3.64 0.02 4.98 0.02 -1.26 -5.01 135.00 137.10 2c54 s PRO 167 Ca 0.04 2.19 -0.01 0.00 0.02 0.00 0.00 61.00 63.24 2c54 s PRO 167 Cb -0.08 -2.55 -0.04 0.00 0.02 0.00 0.00 34.50 31.85 2c54 s PRO 167 CO 0.00 -0.77 0.18 0.00 -0.33 0.00 0.00 177.00 176.07 2c54 s ALA 168 N -1.30 3.92 -0.46 -1.55 0.00 -1.22 -4.83 121.76 116.33 2c54 s ALA 168 Ca 0.63 -0.81 0.05 0.00 0.00 0.00 0.00 51.96 51.83 2c54 s ALA 168 Cb -0.39 -1.81 0.28 0.00 0.00 0.00 0.00 23.12 21.20 2c54 s ALA 168 CO 0.49 0.77 1.04 -1.91 0.00 0.00 0.00 175.76 176.15 2c54 n GLU 169 N 0.75 0.81 -1.84 0.00 2.13 -1.26 -5.01 120.64 116.21 2c54 n GLU 169 Ca -0.09 -1.69 -0.38 0.00 0.66 0.00 0.00 57.16 55.66 2c54 n GLU 169 Cb 0.52 -1.12 0.04 0.00 0.27 0.00 0.00 31.44 31.15 2c54 n GLU 169 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2c54 s PRO 170 N 0.43 3.15 0.20 5.31 0.04 -1.26 -0.70 135.00 142.18 2c54 s PRO 170 Ca 0.27 2.15 -0.07 0.00 0.04 0.00 0.00 61.00 63.38 2c54 s PRO 170 Cb 0.26 -2.22 0.13 0.00 0.04 0.00 0.00 34.50 32.71 2c54 s PRO 170 CO -0.15 -1.16 1.65 0.37 0.04 0.00 0.00 177.00 177.75 2c54 h GLN 171 N 1.41 0.95 -5.71 4.56 4.15 -1.77 -3.45 115.11 115.26 2c54 h GLN 171 Ca -0.51 -0.33 -0.51 0.00 0.77 0.00 0.00 58.65 58.08 2c54 h GLN 171 Cb 1.30 -0.07 -0.14 0.00 0.21 0.00 0.00 27.48 28.77 2c54 h GLN 171 CO 0.57 0.99 -0.71 -0.51 -1.93 0.00 0.00 178.83 177.23 2c54 s ASP 172 N -6.65 2.94 0.45 -0.69 1.01 -1.26 -5.02 116.67 107.45 2c54 s ASP 172 Ca -0.11 -1.10 0.12 0.00 0.71 0.00 0.00 52.55 52.18 2c54 s ASP 172 Cb 0.13 -0.20 1.01 0.00 1.01 0.00 0.00 42.92 44.88 2c54 s ASP 172 CO 0.85 -0.19 2.04 0.00 0.21 0.00 0.00 175.17 178.08 2c54 h ALA 173 N 2.36 1.76 -0.25 5.23 0.00 -1.89 -2.33 119.26 124.13 2c54 h ALA 173 Ca -0.39 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.44 2c54 h ALA 173 Cb 1.24 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2c54 h ALA 173 CO 0.64 0.19 0.15 -0.92 0.00 0.00 0.00 179.25 179.31 2c54 h TYR 174 N 0.18 0.28 -0.73 0.00 3.20 -1.89 -0.17 116.97 117.85 2c54 h TYR 174 Ca 0.04 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.88 2c54 h TYR 174 Cb 0.14 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.28 2c54 h TYR 174 CO 0.00 0.17 0.29 0.78 -1.64 0.00 0.00 178.16 177.76 2c54 h GLY 175 N 0.31 1.18 0.94 1.82 0.00 -1.61 -1.81 103.07 103.88 2c54 h GLY 175 Ca 0.10 -0.64 -0.02 0.00 0.00 0.00 0.00 47.33 46.77 2c54 h GLY 175 CO -0.04 0.61 0.15 -2.00 0.00 0.00 0.00 176.54 175.25 2c54 h LEU 176 N 1.05 0.49 -1.05 3.11 5.85 -1.08 -1.24 115.31 122.45 2c54 h LEU 176 Ca 0.24 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.76 2c54 h LEU 176 Cb 0.22 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 2c54 h LEU 176 CO -0.02 0.51 0.13 1.05 -0.34 0.00 0.00 178.44 179.77 2c54 h GLU 177 N 0.43 0.81 -0.51 1.25 -0.00 -0.92 0.03 114.58 115.67 2c54 h GLU 177 Ca 0.12 -0.16 -0.01 0.00 -0.00 0.00 0.00 59.36 59.31 2c54 h GLU 177 Cb 0.17 -0.12 -0.02 0.00 -0.00 0.00 0.00 28.75 28.77 2c54 h GLU 177 CO -0.01 0.73 0.29 0.00 -0.00 0.00 0.00 179.01 180.02 2c54 h ARG 178 N 0.78 0.71 -0.23 1.06 2.47 -1.22 -1.22 114.38 116.72 2c54 h ARG 178 Ca 0.17 -0.07 -0.07 0.00 -1.26 0.00 0.00 59.98 58.75 2c54 h ARG 178 Cb 0.29 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.46 2c54 h ARG 178 CO -0.00 0.53 -0.12 1.25 0.56 0.00 0.00 179.97 182.19 2c54 h LEU 179 N 0.68 0.50 -0.88 3.04 5.85 -0.74 -0.02 115.31 123.74 2c54 h LEU 179 Ca 0.18 -0.42 0.06 0.00 0.84 0.00 0.00 57.88 58.55 2c54 h LEU 179 Cb 0.02 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 40.85 2c54 h LEU 179 CO -0.03 0.81 0.55 0.00 -0.34 0.00 0.00 178.44 179.43 2c54 h ALA 180 N 0.71 1.22 -0.73 1.25 0.00 -0.88 -2.28 119.26 118.54 2c54 h ALA 180 Ca 0.05 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 2c54 h ALA 180 Cb 0.62 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2c54 h ALA 180 CO 0.04 0.30 0.25 1.15 0.00 0.00 0.00 179.25 180.99 2c54 h THR 181 N 1.00 1.26 -0.37 0.00 2.02 -0.87 -0.98 112.91 114.97 2c54 h THR 181 Ca 0.39 -0.87 0.08 0.00 0.77 0.00 0.00 66.41 66.77 2c54 h THR 181 Cb 0.18 0.44 -0.08 0.00 -1.74 0.00 0.00 68.15 66.95 2c54 h THR 181 CO -0.18 0.34 -0.15 -0.33 0.37 0.00 0.00 175.52 175.58 2c54 h GLU 182 N 1.08 -0.07 -0.45 6.66 5.08 -0.47 -0.57 114.58 125.83 2c54 h GLU 182 Ca 0.24 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.58 2c54 h GLU 182 Cb 0.28 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2c54 h GLU 182 CO -0.01 -0.05 0.18 0.93 -1.00 0.00 0.00 179.01 179.06 2c54 h GLU 183 N -0.08 0.67 -0.46 2.33 4.39 -1.11 -1.36 114.58 118.96 2c54 h GLU 183 Ca 0.18 -0.12 0.09 0.00 0.34 0.00 0.00 59.36 59.85 2c54 h GLU 183 Cb 0.35 -0.11 -0.09 0.00 -0.10 0.00 0.00 28.75 28.81 2c54 h GLU 183 CO -0.42 0.61 -0.11 1.25 -1.16 0.00 0.00 179.01 179.19 2c54 h LEU 184 N 0.58 -0.41 -0.60 1.33 5.85 -0.75 -1.22 115.31 120.09 2c54 h LEU 184 Ca 0.15 0.14 0.02 0.00 0.84 0.00 0.00 57.88 59.03 2c54 h LEU 184 Cb 0.19 0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 2c54 h LEU 184 CO -0.01 -0.14 0.37 0.00 -0.34 0.00 0.00 178.44 178.32 2c54 h LYS 186 N 0.74 1.12 -0.48 0.00 1.57 -0.90 -1.44 116.57 117.18 2c54 h LYS 186 Ca 0.24 -0.20 -0.11 0.00 -1.87 0.00 0.00 60.65 58.71 2c54 h LYS 186 Cb 0.00 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.11 2c54 h LYS 186 CO -0.09 0.91 -0.14 0.45 -0.57 0.00 0.00 179.45 180.01 2c54 h HIS 187 N 1.08 1.02 -0.83 -1.35 3.86 -0.80 -1.75 115.15 116.39 2c54 h HIS 187 Ca 0.25 -0.21 -0.04 0.00 -1.16 0.00 0.00 60.37 59.22 2c54 h HIS 187 Cb 0.20 -0.25 -0.04 0.00 1.06 0.00 0.00 27.41 28.38 2c54 h HIS 187 CO 0.02 0.98 0.38 1.88 0.86 0.00 0.00 177.93 182.05 2c54 h TYR 188 N 0.81 1.21 -0.55 2.45 -1.99 -0.55 0.12 116.97 118.47 2c54 h TYR 188 Ca 0.13 -0.07 -0.06 0.00 2.00 0.00 0.00 58.73 60.72 2c54 h TYR 188 Cb 0.67 -0.37 -0.02 0.00 2.00 0.00 0.00 36.73 39.01 2c54 h TYR 188 CO 0.04 0.88 0.09 -0.97 -0.00 0.00 0.00 178.16 178.21 2c54 h ASN 189 N 1.19 0.87 -0.21 3.88 -0.00 -1.05 0.05 115.58 120.31 2c54 h ASN 189 Ca 0.28 -0.26 -0.09 0.00 -0.00 0.00 0.00 56.30 56.24 2c54 h ASN 189 Cb 0.14 -0.23 -0.00 0.00 -0.00 0.00 0.00 38.32 38.23 2c54 h ASN 189 CO -0.03 0.91 -0.21 0.11 -0.00 0.00 0.00 177.43 178.20 2c54 h LYS 190 N 0.80 0.52 -0.08 6.67 1.57 -1.02 -0.77 116.57 124.25 2c54 h LYS 190 Ca 0.17 -0.28 -0.21 0.00 -1.87 0.00 0.00 60.65 58.46 2c54 h LYS 190 Cb 0.40 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2c54 h LYS 190 CO 0.01 0.86 -0.81 -0.44 -0.57 0.00 0.00 179.45 178.49 2c54 h ASP 191 N 0.20 0.70 0.00 0.86 3.32 -0.74 -3.39 116.42 117.37 2c54 h ASP 191 Ca 0.03 -0.48 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2c54 h ASP 191 Cb 0.76 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.10 2c54 h ASP 191 CO 0.05 1.26 0.00 0.49 -1.72 0.00 0.00 179.24 179.32 2c54 n PHE 192 N -3.86 0.00 -0.95 4.55 3.72 -0.00 -5.04 117.46 115.88 2c54 n PHE 192 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 2c54 n PHE 192 Cb 0.76 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.30 2c54 n PHE 192 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2c54 n GLY 193 N 0.51 0.94 3.71 1.37 0.00 -0.29 -4.99 105.19 106.43 2c54 n GLY 193 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2c54 n GLY 193 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2c54 s ILE 194 N -3.75 2.61 -0.57 -0.61 2.07 -1.26 -4.93 121.20 114.76 2c54 s ILE 194 Ca 0.00 0.32 -0.27 0.00 -1.41 0.00 0.00 60.65 59.29 2c54 s ILE 194 Cb 0.00 -3.21 0.03 0.00 0.13 0.00 0.00 42.46 39.42 2c54 s ILE 194 CO 0.00 0.01 1.14 -1.61 -1.91 0.00 0.00 174.94 172.58 2c54 s GLU 195 N 1.77 3.48 0.04 3.50 0.41 -0.61 -3.89 118.70 123.40 2c54 s GLU 195 Ca 0.73 0.16 -0.06 0.00 -0.41 0.00 0.00 54.97 55.39 2c54 s GLU 195 Cb -0.44 -4.02 -0.05 0.00 -1.78 0.00 0.00 34.13 27.84 2c54 s GLU 195 CO 0.32 -1.63 0.30 0.00 -0.49 0.00 0.00 175.26 173.76 2c54 s ARG 197 N -1.95 0.49 -0.16 0.00 1.81 -0.05 -4.50 118.95 114.60 2c54 s ARG 197 Ca 0.31 0.02 -0.01 0.00 -1.72 0.00 0.00 55.73 54.32 2c54 s ARG 197 Cb -0.13 -0.63 0.04 0.00 -0.45 0.00 0.00 34.95 33.78 2c54 s ARG 197 CO 0.18 -0.13 -0.03 0.42 -0.68 0.00 0.00 175.30 175.07 2c54 s ILE 198 N 1.04 0.92 -0.15 1.52 1.01 -1.26 -1.04 121.20 123.24 2c54 s ILE 198 Ca -0.09 -0.52 -0.03 0.00 0.00 0.00 0.00 60.65 60.00 2c54 s ILE 198 Cb -0.14 -1.15 -0.03 0.00 0.01 0.00 0.00 42.46 41.16 2c54 s ILE 198 CO -0.01 0.09 -0.04 -0.83 0.00 0.00 0.00 174.94 174.14 2c54 s GLY 199 N 1.71 1.71 -0.46 6.18 0.00 -0.99 -1.36 107.32 114.11 2c54 s GLY 199 Ca 0.01 -0.82 -0.15 0.00 0.00 0.00 0.00 44.72 43.76 2c54 s GLY 199 CO -0.07 -0.10 0.38 0.50 0.00 0.00 0.00 173.10 173.80 2c54 s ARG 200 N 0.30 2.95 0.28 2.90 0.52 0.06 -0.17 118.95 125.79 2c54 s ARG 200 Ca -0.04 -1.34 -0.29 0.00 -0.52 0.00 0.00 55.73 53.54 2c54 s ARG 200 Cb -0.14 -4.09 -0.09 0.00 0.52 0.00 0.00 34.95 31.14 2c54 s ARG 200 CO 0.03 -1.00 1.02 -0.06 0.02 0.00 0.00 175.30 175.31 2c54 s PHE 201 N 1.63 3.74 -0.39 -0.53 0.08 -0.76 -0.99 117.98 120.76 2c54 s PHE 201 Ca 0.04 1.79 -0.05 0.00 0.12 0.00 0.00 56.93 58.83 2c54 s PHE 201 Cb -0.24 -3.12 0.09 0.00 -0.57 0.00 0.00 43.02 39.18 2c54 s PHE 201 CO 0.06 -0.08 0.18 -1.01 -0.10 0.00 0.00 175.22 174.28 2c54 s HIS 202 N -1.24 3.43 -0.25 0.36 3.76 -0.60 -1.11 115.29 119.64 2c54 s HIS 202 Ca 0.44 -1.97 -0.22 0.00 -0.15 0.00 0.00 55.06 53.16 2c54 s HIS 202 Cb -0.28 -2.89 0.03 0.00 1.11 0.00 0.00 32.58 30.55 2c54 s HIS 202 CO 0.35 -0.89 0.38 -1.71 -0.85 0.00 0.00 174.74 172.01 2c54 n ASN 203 N 4.72 -4.31 -4.77 1.40 2.85 -1.26 -3.05 115.26 110.84 2c54 n ASN 203 Ca -0.07 -0.02 -0.39 0.00 -0.11 0.00 0.00 54.58 53.99 2c54 n ASN 203 Cb 0.42 -1.19 -0.06 0.00 1.24 0.00 0.00 39.78 40.20 2c54 n ASN 203 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2c54 s ILE 204 N -1.00 4.68 0.07 -1.44 -1.09 -1.26 -1.16 121.20 120.00 2c54 s ILE 204 Ca 0.22 1.45 -0.03 0.00 -2.23 0.00 0.00 60.65 60.06 2c54 s ILE 204 Cb -0.02 -4.02 -0.03 0.00 -1.58 0.00 0.00 42.46 36.80 2c54 s ILE 204 CO 0.49 0.47 0.04 -0.72 -1.23 0.00 0.00 174.94 173.98 2c54 s TYR 205 N -0.63 0.50 -5.00 3.97 1.13 -0.47 -4.92 117.35 111.93 2c54 s TYR 205 Ca 0.34 -0.99 0.00 0.00 -1.41 0.00 0.00 57.07 55.00 2c54 s TYR 205 Cb -0.20 -0.33 0.00 0.00 -1.10 0.00 0.00 41.96 40.33 2c54 s TYR 205 CO 0.21 -0.44 0.00 0.41 -2.51 0.00 0.00 175.55 173.22 2c54 n GLY 206 N 0.04 -0.40 3.69 5.49 0.00 -1.26 -0.67 105.19 112.07 2c54 n GLY 206 Ca -0.13 -1.66 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 2c54 n GLY 206 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2c54 n PRO 207 N -0.92 1.94 -0.00 1.61 -0.02 -1.26 -1.35 135.00 134.99 2c54 n PRO 207 Ca 0.00 0.68 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 2c54 n PRO 207 Cb 0.00 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.17 2c54 n PRO 207 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2c54 n PHE 208 N -0.00 0.00 -2.00 6.00 3.72 -1.26 -5.04 117.46 118.88 2c54 n PHE 208 Ca 0.06 0.00 -0.40 0.00 -0.05 0.00 0.00 57.45 57.06 2c54 n PHE 208 Cb 0.38 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.91 2c54 n PHE 208 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2c54 s GLY 209 N -2.00 2.94 0.18 1.37 0.00 -0.45 -4.57 107.32 104.79 2c54 s GLY 209 Ca 0.00 1.32 -0.33 0.00 0.00 0.00 0.00 44.72 45.71 2c54 s GLY 209 CO 0.00 1.94 1.27 2.41 0.00 0.00 0.00 173.10 178.72 2c54 n THR 210 N 0.27 0.76 -0.48 0.90 -1.04 -1.26 -4.88 114.28 108.55 2c54 n THR 210 Ca 0.03 -0.19 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 2c54 n THR 210 Cb 0.42 -1.04 0.00 0.00 -1.82 0.00 0.00 70.33 67.89 2c54 n THR 210 CO 0.00 0.00 0.00 -2.67 -0.64 0.00 0.00 175.07 171.76 2c54 n TRP 211 N 1.83 0.00 -3.82 -1.42 4.27 -1.26 -4.44 117.44 112.60 2c54 n TRP 211 Ca 0.15 0.00 -0.08 0.00 -3.89 0.00 0.00 57.50 53.67 2c54 n TRP 211 Cb 0.26 0.00 -0.03 0.00 -1.36 0.00 0.00 31.31 30.18 2c54 n TRP 211 CO 0.00 0.00 0.00 -1.59 -2.29 0.00 0.00 177.69 173.81 2c54 s LYS 212 N -0.03 1.59 0.00 -2.67 -2.85 -1.26 -4.57 119.74 109.95 2c54 s LYS 212 Ca 0.00 -0.97 0.00 0.00 -1.00 0.00 0.00 55.97 54.00 2c54 s LYS 212 Cb 0.00 0.56 0.00 0.00 -2.06 0.00 0.00 37.83 36.33 2c54 s LYS 212 CO 0.00 -0.70 0.00 0.41 0.10 0.00 0.00 175.35 175.16 2c54 n GLY 213 N -0.41 0.24 0.00 0.59 0.00 -1.26 -4.46 105.19 99.89 2c54 n GLY 213 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2c54 n GLY 213 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2c54 n GLY 214 N -2.00 1.18 0.39 -0.02 0.00 -1.26 -4.93 105.19 98.55 2c54 n GLY 214 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2c54 n GLY 214 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c54 n ARG 215 N 0.00 1.08 -2.10 1.61 1.74 -1.26 -3.80 116.66 113.93 2c54 n ARG 215 Ca 0.00 -0.79 -0.35 0.00 -0.77 0.00 0.00 57.85 55.94 2c54 n ARG 215 Cb 0.00 -1.48 0.02 0.00 -1.02 0.00 0.00 32.46 29.98 2c54 n ARG 215 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2c54 s GLU 216 N -2.47 3.12 0.74 5.56 1.03 -1.26 -1.06 118.70 124.35 2c54 s GLU 216 Ca 0.22 1.71 -0.00 0.00 0.03 0.00 0.00 54.97 56.93 2c54 s GLU 216 Cb 0.19 -1.96 0.14 0.00 -0.80 0.00 0.00 34.13 31.70 2c54 s GLU 216 CO 0.54 -1.06 1.01 0.15 -1.33 0.00 0.00 175.26 174.57 2c54 s LYS 217 N -3.36 1.57 0.19 -4.83 1.02 -1.26 -3.90 119.74 109.17 2c54 s LYS 217 Ca 0.75 -1.24 -0.11 0.00 0.02 0.00 0.00 55.97 55.39 2c54 s LYS 217 Cb -0.27 -2.34 0.12 0.00 -0.52 0.00 0.00 37.83 34.83 2c54 s LYS 217 CO 0.31 -1.53 1.81 0.00 -0.92 0.00 0.00 175.35 175.02 2c54 h ALA 218 N -0.57 0.88 -0.15 5.17 0.00 -1.98 -1.17 119.26 121.45 2c54 h ALA 218 Ca -0.34 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.48 2c54 h ALA 218 Cb 1.26 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2c54 h ALA 218 CO 0.38 0.39 0.01 -1.35 0.00 0.00 0.00 179.25 178.67 2c54 h PRO 219 N 0.95 0.06 -0.60 0.00 0.11 -1.97 0.14 132.00 130.68 2c54 h PRO 219 Ca 0.24 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.26 2c54 h PRO 219 Cb 0.03 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.10 2c54 h PRO 219 CO -0.04 0.04 0.00 0.00 -0.21 0.00 0.00 178.00 177.79 2c54 h ALA 220 N 1.12 0.87 -0.42 -0.75 0.00 -1.85 -1.78 119.26 116.46 2c54 h ALA 220 Ca 0.07 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.69 2c54 h ALA 220 Cb 0.08 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2c54 h ALA 220 CO -0.11 0.66 0.25 0.00 0.00 0.00 0.00 179.25 180.05 2c54 h ALA 221 N 1.03 0.53 -0.58 0.00 0.00 -0.84 -0.26 119.26 119.13 2c54 h ALA 221 Ca 0.17 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 2c54 h ALA 221 Cb 0.55 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2c54 h ALA 221 CO 0.03 -0.07 0.09 0.74 0.00 0.00 0.00 179.25 180.05 2c54 h PHE 222 N 0.51 1.02 -0.66 0.00 -1.00 -0.52 0.51 116.94 116.81 2c54 h PHE 222 Ca 0.16 -0.14 -0.00 0.00 2.81 0.00 0.00 57.97 60.80 2c54 h PHE 222 Cb -0.01 -0.28 -0.03 0.00 3.61 0.00 0.00 35.95 39.24 2c54 h PHE 222 CO -0.07 0.89 0.40 0.00 -1.61 0.00 0.00 178.31 177.92 2c54 h ARG 224 N 0.90 0.24 -0.52 0.00 2.43 -0.78 -2.83 114.38 113.81 2c54 h ARG 224 Ca 0.24 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.33 2c54 h ARG 224 Cb -0.02 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 2c54 h ARG 224 CO -0.04 0.35 0.21 0.87 -1.51 0.00 0.00 179.97 179.85 2c54 h LYS 225 N 0.08 0.78 -0.99 0.20 1.57 -0.73 -2.42 116.57 115.06 2c54 h LYS 225 Ca 0.05 -0.14 0.12 0.00 -1.87 0.00 0.00 60.65 58.81 2c54 h LYS 225 Cb 0.21 -0.13 -0.08 0.00 0.08 0.00 0.00 32.23 32.31 2c54 h LYS 225 CO -0.00 0.69 0.63 0.00 -0.57 0.00 0.00 179.45 180.19 2c54 h ALA 226 N 1.06 1.54 0.00 3.86 0.00 -0.91 -2.08 119.26 122.73 2c54 h ALA 226 Ca 0.17 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2c54 h ALA 226 Cb 0.19 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2c54 h ALA 226 CO -0.01 0.22 -0.17 1.96 0.00 0.00 0.00 179.25 181.24 2c54 h GLN 227 N 0.98 0.00 0.00 0.00 4.20 -1.23 -3.35 115.11 115.72 2c54 h GLN 227 Ca 0.48 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.19 2c54 h GLN 227 Cb 0.47 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.25 2c54 h GLN 227 CO -0.25 0.00 -0.03 0.25 -0.67 0.00 0.00 178.83 178.14 2c54 n THR 228 N -2.40 0.83 -4.73 -0.54 -2.24 -0.94 -5.02 114.28 99.24 2c54 n THR 228 Ca 0.05 -0.88 -0.32 0.00 -2.27 0.00 0.00 64.05 60.62 2c54 n THR 228 Cb 0.45 0.52 -0.12 0.00 -2.10 0.00 0.00 70.33 69.08 2c54 n THR 228 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2c54 s SER 229 N -1.01 4.21 -0.06 3.42 0.01 -0.82 -4.28 113.70 115.18 2c54 s SER 229 Ca 0.04 -0.19 0.10 0.00 1.31 0.00 0.00 55.95 57.21 2c54 s SER 229 Cb 0.04 -0.91 -0.14 0.00 0.21 0.00 0.00 66.02 65.22 2c54 s SER 229 CO 0.00 0.32 0.13 0.35 0.41 0.00 0.00 173.24 174.46 2c54 n THR 230 N 2.03 0.34 0.00 1.44 -2.24 -1.26 -4.87 114.28 109.72 2c54 n THR 230 Ca -0.17 -0.33 0.00 0.00 -2.27 0.00 0.00 64.05 61.28 2c54 n THR 230 Cb 0.52 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 2c54 n THR 230 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2c54 n ASP 231 N -2.12 4.03 -3.86 3.42 8.00 -1.26 -4.98 116.55 119.78 2c54 n ASP 231 Ca -0.09 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.31 2c54 n ASP 231 Cb 0.55 0.52 -0.08 0.00 -0.02 0.00 0.00 41.12 42.09 2c54 n ASP 231 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2c54 s ARG 232 N -1.75 0.72 -0.37 -1.24 3.03 -1.26 -4.38 118.95 113.70 2c54 s ARG 232 Ca 0.00 -0.73 -0.08 0.00 2.03 0.00 0.00 55.73 56.95 2c54 s ARG 232 Cb 0.00 0.29 0.05 0.00 -1.03 0.00 0.00 34.95 34.27 2c54 s ARG 232 CO 0.00 -0.21 0.17 0.12 -1.13 0.00 0.00 175.30 174.25 2c54 s PHE 233 N -2.91 3.30 0.19 5.89 2.19 0.36 -4.81 117.98 122.19 2c54 s PHE 233 Ca -0.02 -1.47 -0.30 0.00 0.33 0.00 0.00 56.93 55.47 2c54 s PHE 233 Cb 0.01 -2.56 -0.08 0.00 -1.31 0.00 0.00 43.02 39.07 2c54 s PHE 233 CO -0.06 -0.77 1.10 -1.21 1.83 0.00 0.00 175.22 176.11 2c54 s GLU 234 N 1.41 4.60 -0.05 10.12 2.02 -1.26 -0.90 118.70 134.64 2c54 s GLU 234 Ca 0.01 1.72 -0.02 0.00 0.02 0.00 0.00 54.97 56.70 2c54 s GLU 234 Cb -0.21 -3.27 0.04 0.00 0.10 0.00 0.00 34.13 30.79 2c54 s GLU 234 CO 0.03 0.10 0.11 1.41 0.02 0.00 0.00 175.26 176.92 2c54 s MET 235 N -0.47 0.05 0.16 1.61 1.75 -0.02 -4.92 119.30 117.46 2c54 s MET 235 Ca 0.49 0.32 -0.30 0.00 -1.25 0.00 0.00 55.69 54.94 2c54 s MET 235 Cb -0.29 -0.21 -0.08 0.00 2.84 0.00 0.00 34.83 37.09 2c54 s MET 235 CO 0.35 -0.17 1.26 -1.58 -0.65 0.00 0.00 175.02 174.23 2c54 s TRP 236 N 1.18 3.35 0.00 4.11 0.51 -1.26 -0.66 118.94 126.16 2c54 s TRP 236 Ca -0.09 1.28 0.00 0.00 -2.12 0.00 0.00 56.10 55.17 2c54 s TRP 236 Cb -0.12 -3.52 0.00 0.00 -0.81 0.00 0.00 33.47 29.02 2c54 s TRP 236 CO -0.05 -1.59 0.00 0.41 -0.51 0.00 0.00 176.95 175.21 2c54 n GLY 237 N 2.57 -1.19 0.00 0.98 0.00 -0.73 -4.52 105.19 102.30 2c54 n GLY 237 Ca 0.07 -1.61 0.13 0.00 0.00 0.00 0.00 46.02 44.60 2c54 n GLY 237 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2c54 n ASP 238 N -1.33 0.00 0.00 1.61 5.68 -1.26 -4.29 116.55 116.96 2c54 n ASP 238 Ca 0.00 0.08 0.00 0.00 -0.50 0.00 0.00 54.79 54.37 2c54 n ASP 238 Cb 0.00 -0.35 0.00 0.00 -1.14 0.00 0.00 41.12 39.63 2c54 n ASP 238 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2c54 n GLY 239 N 0.96 1.63 0.11 6.12 0.00 -1.26 -4.88 105.19 107.87 2c54 n GLY 239 Ca 0.11 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.25 2c54 n GLY 239 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2c54 h LEU 240 N 0.00 0.00 -9.97 0.99 3.38 -1.95 0.02 115.31 107.77 2c54 h LEU 240 Ca 0.00 -0.09 -0.54 0.00 0.09 0.00 0.00 57.88 57.34 2c54 h LEU 240 Cb 0.00 0.00 0.11 0.00 0.09 0.00 0.00 40.66 40.86 2c54 h LEU 240 CO 0.00 0.04 0.68 0.00 0.09 0.00 0.00 178.44 179.26 2c54 s GLN 241 N -3.18 3.80 0.18 1.13 0.00 -1.26 -4.68 119.66 115.64 2c54 s GLN 241 Ca 0.07 2.35 0.10 0.00 -0.00 0.00 0.00 55.36 57.88 2c54 s GLN 241 Cb 0.11 -2.71 -0.04 0.00 0.00 0.00 0.00 33.01 30.37 2c54 s GLN 241 CO 0.68 -0.70 -0.18 0.95 0.00 0.00 0.00 175.29 176.04 2c54 s THR 242 N -1.21 2.74 0.19 3.63 -4.23 -0.68 -1.49 115.64 114.58 2c54 s THR 242 Ca 0.59 -1.82 -0.14 0.00 -1.18 0.00 0.00 61.69 59.15 2c54 s THR 242 Cb -0.42 -2.32 0.01 0.00 1.34 0.00 0.00 72.50 71.11 2c54 s THR 242 CO 0.55 -0.08 0.43 -0.13 -0.54 0.00 0.00 174.62 174.84 2c54 s ARG 243 N -2.66 1.31 0.24 3.99 1.81 -0.48 -2.08 118.95 121.08 2c54 s ARG 243 Ca 0.22 -1.02 0.10 0.00 -1.72 0.00 0.00 55.73 53.30 2c54 s ARG 243 Cb -0.09 0.46 -0.04 0.00 -0.45 0.00 0.00 34.95 34.83 2c54 s ARG 243 CO 0.12 -0.53 -0.07 -1.54 -0.68 0.00 0.00 175.30 172.60 2c54 s SER 244 N -2.92 4.28 -0.01 0.23 1.04 -1.23 -0.88 113.70 114.20 2c54 s SER 244 Ca 0.14 -0.68 0.02 0.00 0.48 0.00 0.00 55.95 55.91 2c54 s SER 244 Cb 0.01 -0.71 -0.00 0.00 0.10 0.00 0.00 66.02 65.42 2c54 s SER 244 CO -0.00 0.05 -0.07 -0.36 0.98 0.00 0.00 173.24 173.83 2c54 s PHE 245 N -2.12 0.71 -0.17 5.02 0.08 -1.26 -4.40 117.98 115.84 2c54 s PHE 245 Ca 0.29 -0.15 0.01 0.00 0.12 0.00 0.00 56.93 57.20 2c54 s PHE 245 Cb -0.07 -0.49 0.02 0.00 -0.57 0.00 0.00 43.02 41.90 2c54 s PHE 245 CO 0.17 -0.04 -0.20 0.99 -0.10 0.00 0.00 175.22 176.04 2c54 s THR 246 N 0.01 2.11 0.32 0.64 2.01 -0.31 -4.49 115.64 115.93 2c54 s THR 246 Ca 0.00 -0.93 -0.29 0.00 0.31 0.00 0.00 61.69 60.78 2c54 s THR 246 Cb -0.05 -1.88 -0.10 0.00 0.01 0.00 0.00 72.50 70.48 2c54 s THR 246 CO -0.00 0.54 1.29 0.12 -0.69 0.00 0.00 174.62 175.87 2c54 s PHE 247 N 1.16 3.12 0.28 4.92 5.36 -1.26 -1.36 117.98 130.20 2c54 s PHE 247 Ca 0.02 1.43 0.01 0.00 -0.96 0.00 0.00 56.93 57.42 2c54 s PHE 247 Cb -0.14 -3.63 0.66 0.00 -0.34 0.00 0.00 43.02 39.57 2c54 s PHE 247 CO -0.10 -1.72 1.66 0.97 -1.46 0.00 0.00 175.22 174.57 2c54 h ILE 248 N 3.10 0.36 -0.30 3.12 6.09 -1.27 -0.83 117.51 127.78 2c54 h ILE 248 Ca -0.48 -0.08 -0.05 0.00 -1.37 0.00 0.00 64.86 62.88 2c54 h ILE 248 Cb 1.22 0.11 -0.02 0.00 0.47 0.00 0.00 36.82 38.61 2c54 h ILE 248 CO 0.67 0.04 -0.04 0.44 -3.07 0.00 0.00 178.15 176.19 2c54 h ASP 249 N 0.23 0.44 0.42 2.19 5.19 -1.91 -0.57 116.42 122.40 2c54 h ASP 249 Ca 0.52 -0.09 -0.21 0.00 -0.62 0.00 0.00 57.03 56.64 2c54 h ASP 249 Cb 1.02 -0.12 -0.00 0.00 0.18 0.00 0.00 39.33 40.41 2c54 h ASP 249 CO -0.63 0.54 -0.89 -0.33 -3.12 0.00 0.00 179.24 174.82 2c54 h GLU 250 N 0.45 0.33 -0.20 3.56 5.08 -1.55 -1.76 114.58 120.48 2c54 h GLU 250 Ca 0.09 -0.34 0.02 0.00 -1.00 0.00 0.00 59.36 58.13 2c54 h GLU 250 Cb 0.36 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 2c54 h GLU 250 CO 0.01 1.03 0.08 0.00 -1.00 0.00 0.00 179.01 179.13 2c54 h VAL 252 N 0.18 0.96 -0.80 0.00 2.07 -1.08 0.66 116.25 118.24 2c54 h VAL 252 Ca 0.08 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.62 2c54 h VAL 252 Cb 0.04 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 2c54 h VAL 252 CO -0.08 0.00 0.53 -0.08 0.02 0.00 0.00 177.57 177.96 2c54 h GLU 253 N -0.01 1.03 -0.65 1.57 4.57 -1.19 -1.48 114.58 118.42 2c54 h GLU 253 Ca 0.02 -0.06 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 2c54 h GLU 253 Cb 0.03 -0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 28.36 2c54 h GLU 253 CO -0.04 0.68 0.37 0.78 -1.18 0.00 0.00 179.01 179.63 2c54 h GLY 254 N 1.06 0.96 0.85 1.92 0.00 -0.60 -0.30 103.07 106.96 2c54 h GLY 254 Ca 0.30 -0.42 0.02 0.00 0.00 0.00 0.00 47.33 47.23 2c54 h GLY 254 CO -0.08 0.41 0.19 -2.08 0.00 0.00 0.00 176.54 174.98 2c54 h VAL 255 N 0.89 1.00 -0.20 4.60 2.07 -0.40 0.37 116.25 124.58 2c54 h VAL 255 Ca 0.23 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.57 2c54 h VAL 255 Cb 0.02 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 2c54 h VAL 255 CO -0.04 0.07 -0.07 -0.07 0.02 0.00 0.00 177.57 177.48 2c54 h LEU 256 N 0.38 0.41 -0.70 2.57 3.38 -1.03 -0.08 115.31 120.24 2c54 h LEU 256 Ca 0.15 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.71 2c54 h LEU 256 Cb 0.04 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 2c54 h LEU 256 CO -0.09 0.70 0.32 0.03 0.09 0.00 0.00 178.44 179.49 2c54 h ARG 257 N 0.12 1.02 -0.13 1.13 3.08 -0.97 -1.30 114.38 117.34 2c54 h ARG 257 Ca 0.05 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 2c54 h ARG 257 Cb 0.53 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.40 2c54 h ARG 257 CO 0.02 0.82 0.02 1.25 -1.07 0.00 0.00 179.97 181.01 2c54 h LEU 258 N 0.99 0.20 -1.10 3.04 5.85 -0.87 -2.88 115.31 120.54 2c54 h LEU 258 Ca 0.24 -0.26 -0.07 0.00 0.84 0.00 0.00 57.88 58.63 2c54 h LEU 258 Cb 0.14 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 2c54 h LEU 258 CO -0.03 0.40 -0.11 0.74 -0.34 0.00 0.00 178.44 179.11 2c54 h THR 259 N -0.02 1.23 0.00 1.05 2.02 -0.79 -2.51 112.91 113.89 2c54 h THR 259 Ca 0.04 -0.99 0.00 0.00 0.77 0.00 0.00 66.41 66.22 2c54 h THR 259 Cb 0.29 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 2c54 h THR 259 CO 0.00 0.33 0.00 2.29 0.37 0.00 0.00 175.52 178.51 2c54 n LYS 260 N -4.21 0.24 -1.33 6.66 2.85 -0.51 -4.86 118.16 117.00 2c54 n LYS 260 Ca 0.01 0.20 -0.30 0.00 -1.05 0.00 0.00 58.31 57.17 2c54 n LYS 260 Cb 0.31 -1.78 0.21 0.00 -0.65 0.00 0.00 35.03 33.12 2c54 n LYS 260 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2c54 s SER 261 N -4.38 1.94 -0.02 -5.58 1.04 -0.95 -4.97 113.70 100.78 2c54 s SER 261 Ca 0.11 0.67 0.15 0.00 0.48 0.00 0.00 55.95 57.36 2c54 s SER 261 Cb 0.13 -0.97 0.47 0.00 0.10 0.00 0.00 66.02 65.74 2c54 s SER 261 CO 0.59 -3.50 1.37 -0.90 0.98 0.00 0.00 173.24 171.78 2c54 n ASP 262 N -4.35 2.94 -4.60 7.02 5.75 -1.26 -4.95 116.55 117.11 2c54 n ASP 262 Ca 0.12 -2.09 -0.38 0.00 -0.01 0.00 0.00 54.79 52.42 2c54 n ASP 262 Cb 0.59 -0.38 -0.10 0.00 -1.03 0.00 0.00 41.12 40.20 2c54 n ASP 262 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2c54 s PHE 263 N -1.45 3.24 -1.51 2.11 5.36 -1.26 -4.96 117.98 119.50 2c54 s PHE 263 Ca 0.35 0.24 0.23 0.00 -0.96 0.00 0.00 56.93 56.79 2c54 s PHE 263 Cb 0.19 -2.45 0.14 0.00 -0.34 0.00 0.00 43.02 40.56 2c54 s PHE 263 CO 0.21 -0.17 1.16 0.54 -1.46 0.00 0.00 175.22 175.51 2c54 n ARG 264 N 5.10 0.59 -4.04 10.12 1.74 -1.26 -4.77 116.66 124.14 2c54 n ARG 264 Ca -0.12 -0.45 -0.24 0.00 -0.77 0.00 0.00 57.85 56.27 2c54 n ARG 264 Cb 0.52 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.42 2c54 n ARG 264 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2c54 s GLU 265 N -2.72 3.12 0.40 5.56 0.41 -1.26 -4.74 118.70 119.47 2c54 s GLU 265 Ca 0.15 -0.84 -0.27 0.00 -0.41 0.00 0.00 54.97 53.60 2c54 s GLU 265 Cb 0.18 -2.74 -0.10 0.00 -1.78 0.00 0.00 34.13 29.69 2c54 s GLU 265 CO 0.67 0.46 1.43 -2.14 -0.49 0.00 0.00 175.26 175.19 2c54 s PRO 266 N -3.50 3.98 -0.03 0.39 0.02 -1.26 -4.52 135.00 130.07 2c54 s PRO 266 Ca 0.33 2.44 0.02 0.00 0.02 0.00 0.00 61.00 63.81 2c54 s PRO 266 Cb -0.09 -2.86 0.01 0.00 0.02 0.00 0.00 34.50 31.58 2c54 s PRO 266 CO 0.26 -0.58 -0.10 0.08 -0.33 0.00 0.00 177.00 176.33 2c54 s VAL 267 N -1.16 0.85 0.24 3.83 1.01 -0.47 -4.93 120.40 119.77 2c54 s VAL 267 Ca 0.55 -0.38 -0.31 0.00 0.00 0.00 0.00 61.98 61.84 2c54 s VAL 267 Cb -0.44 -0.77 -0.12 0.00 0.00 0.00 0.00 36.38 35.05 2c54 s VAL 267 CO 0.58 0.27 1.63 0.59 0.00 0.00 0.00 175.10 178.18 2c54 n ASN 268 N 3.42 3.74 -3.97 3.32 3.02 -1.26 -0.76 115.26 122.77 2c54 n ASN 268 Ca -0.20 1.10 -0.31 0.00 -0.03 0.00 0.00 54.58 55.15 2c54 n ASN 268 Cb 0.53 -1.55 -0.15 0.00 -0.61 0.00 0.00 39.78 38.01 2c54 n ASN 268 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2c54 s ILE 269 N 0.60 2.21 -0.14 2.41 1.01 -0.16 -4.77 121.20 122.37 2c54 s ILE 269 Ca 0.71 -2.52 -0.30 0.00 0.00 0.00 0.00 60.65 58.54 2c54 s ILE 269 Cb -0.53 -2.61 0.12 0.00 0.01 0.00 0.00 42.46 39.44 2c54 s ILE 269 CO 0.40 -0.66 0.94 -0.83 0.00 0.00 0.00 174.94 174.79 2c54 s GLY 270 N 0.65 -0.32 0.43 6.18 0.00 -1.26 -1.55 107.32 111.44 2c54 s GLY 270 Ca 0.13 1.88 -0.26 0.00 0.00 0.00 0.00 44.72 46.47 2c54 s GLY 270 CO -0.07 0.99 1.38 -0.45 0.00 0.00 0.00 173.10 174.95 2c54 s SER 271 N -1.17 6.08 -0.20 1.64 0.15 -1.26 -4.51 113.70 114.42 2c54 s SER 271 Ca -0.03 2.82 0.15 0.00 0.70 0.00 0.00 55.95 59.59 2c54 s SER 271 Cb -0.00 -2.65 0.72 0.00 -1.71 0.00 0.00 66.02 62.38 2c54 s SER 271 CO 0.03 -1.03 1.64 -0.90 1.20 0.00 0.00 173.24 174.18 2c54 n ASP 272 N -0.02 5.09 -4.43 5.45 5.68 -1.26 -3.64 116.55 123.41 2c54 n ASP 272 Ca 0.04 -2.89 -0.44 0.00 -0.50 0.00 0.00 54.79 51.00 2c54 n ASP 272 Cb 0.42 -0.63 -0.04 0.00 -1.14 0.00 0.00 41.12 39.74 2c54 n ASP 272 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 2c54 s GLU 273 N -2.66 3.26 -0.03 0.11 2.12 -1.26 -4.88 118.70 115.35 2c54 s GLU 273 Ca 0.50 -1.28 -0.23 0.00 0.36 0.00 0.00 54.97 54.33 2c54 s GLU 273 Cb 0.38 -4.45 -0.05 0.00 0.26 0.00 0.00 34.13 30.28 2c54 s GLU 273 CO 0.15 -1.73 0.67 1.41 -0.54 0.00 0.00 175.26 175.22 2c54 s MET 274 N 3.21 4.41 0.08 4.30 -2.45 -1.26 -4.36 119.30 123.23 2c54 s MET 274 Ca 0.23 0.85 0.04 0.00 -1.25 0.00 0.00 55.69 55.56 2c54 s MET 274 Cb -0.15 -3.40 -0.03 0.00 1.25 0.00 0.00 34.83 32.50 2c54 s MET 274 CO 0.03 0.20 -0.12 0.14 1.05 0.00 0.00 175.02 176.32 2c54 s VAL 275 N 0.33 1.00 0.72 10.11 -7.23 -0.06 -4.96 120.40 120.31 2c54 s VAL 275 Ca 0.35 -1.47 -0.11 0.00 -1.81 0.00 0.00 61.98 58.94 2c54 s VAL 275 Cb -0.18 -1.19 0.02 0.00 0.56 0.00 0.00 36.38 35.59 2c54 s VAL 275 CO 0.18 -0.41 1.08 -0.94 -0.31 0.00 0.00 175.10 174.70 2c54 s SER 276 N -2.10 5.19 0.28 4.85 1.04 -1.26 -1.38 113.70 120.31 2c54 s SER 276 Ca 0.01 1.40 0.01 0.00 0.48 0.00 0.00 55.95 57.86 2c54 s SER 276 Cb -0.06 -2.24 0.41 0.00 0.10 0.00 0.00 66.02 64.23 2c54 s SER 276 CO 0.01 -1.54 1.75 0.24 0.98 0.00 0.00 173.24 174.68 2c54 h MET 277 N -0.79 0.58 -0.87 4.02 0.00 -0.72 -1.56 114.93 115.58 2c54 h MET 277 Ca -0.45 -0.19 0.04 0.00 0.00 0.00 0.00 59.70 59.10 2c54 h MET 277 Cb 1.24 -0.05 -0.05 0.00 0.00 0.00 0.00 31.60 32.73 2c54 h MET 277 CO 0.59 0.71 0.56 -0.91 0.00 0.00 0.00 176.91 177.86 2c54 h ASN 278 N 0.53 0.92 -0.59 1.22 2.35 -1.31 0.41 115.58 119.11 2c54 h ASN 278 Ca 0.09 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 2c54 h ASN 278 Cb 0.56 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.70 2c54 h ASN 278 CO 0.04 0.62 0.24 -0.33 -1.65 0.00 0.00 177.43 176.35 2c54 h GLU 279 N 1.07 0.89 -0.50 0.81 5.08 -1.65 -0.88 114.58 119.40 2c54 h GLU 279 Ca 0.35 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.50 2c54 h GLU 279 Cb 0.04 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2c54 h GLU 279 CO -0.13 0.76 0.11 1.98 -1.00 0.00 0.00 179.01 180.72 2c54 h MET 280 N 0.82 0.81 -0.60 2.33 4.05 -0.93 -1.66 114.93 119.76 2c54 h MET 280 Ca 0.20 -0.20 0.05 0.00 -0.28 0.00 0.00 59.70 59.46 2c54 h MET 280 Cb 0.20 -0.10 -0.05 0.00 -0.80 0.00 0.00 31.60 30.85 2c54 h MET 280 CO -0.02 0.79 0.33 0.00 0.23 0.00 0.00 176.91 178.25 2c54 h ALA 281 N 0.99 0.79 -0.74 0.39 0.00 -0.77 -0.75 119.26 119.17 2c54 h ALA 281 Ca 0.16 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.11 2c54 h ALA 281 Cb 0.36 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 2c54 h ALA 281 CO 0.00 0.01 0.46 1.49 0.00 0.00 0.00 179.25 181.21 2c54 h GLU 282 N 0.62 0.88 0.05 0.00 4.81 -0.87 0.41 114.58 120.49 2c54 h GLU 282 Ca 0.26 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 2c54 h GLU 282 Cb 0.14 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 2c54 h GLU 282 CO -0.16 0.58 -0.06 0.52 -0.73 0.00 0.00 179.01 179.16 2c54 h MET 283 N 0.90 -0.13 -0.60 1.92 2.86 -0.71 -1.20 114.93 117.97 2c54 h MET 283 Ca 0.30 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.92 2c54 h MET 283 Cb 0.02 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 2c54 h MET 283 CO -0.11 -0.08 0.28 0.28 1.06 0.00 0.00 176.91 178.33 2c54 h VAL 284 N -0.13 1.22 0.00 -2.22 2.07 -0.78 -2.16 116.25 114.24 2c54 h VAL 284 Ca 0.01 -0.62 -0.04 0.00 0.82 0.00 0.00 66.70 66.87 2c54 h VAL 284 Cb 0.13 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 2c54 h VAL 284 CO -0.03 0.25 -0.18 -0.07 0.02 0.00 0.00 177.57 177.57 2c54 h LEU 285 N 0.82 0.00 -1.41 2.57 3.38 -0.77 -2.87 115.31 117.04 2c54 h LEU 285 Ca 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 2c54 h LEU 285 Cb 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2c54 h LEU 285 CO -0.02 0.18 -0.12 0.77 0.09 0.00 0.00 178.44 179.33 2c54 h SER 286 N 0.00 0.00 -0.37 -0.43 4.64 -0.53 0.53 113.55 117.39 2c54 h SER 286 Ca -0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 2c54 h SER 286 Cb 0.43 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 2c54 h SER 286 CO 0.02 0.12 -0.15 -0.26 -0.87 0.00 0.00 176.83 175.69 2c54 h PHE 287 N 0.00 0.94 -0.21 4.77 0.04 -1.54 -2.34 116.94 118.59 2c54 h PHE 287 Ca -0.00 -0.19 -0.06 0.00 2.80 0.00 0.00 57.97 60.52 2c54 h PHE 287 Cb 0.58 -0.23 -0.04 0.00 2.20 0.00 0.00 35.95 38.46 2c54 h PHE 287 CO 0.00 0.93 -0.07 0.39 -0.60 0.00 0.00 178.31 178.96 2c54 n GLU 288 N -4.14 2.09 -3.93 1.51 1.02 -1.25 -4.99 120.64 110.95 2c54 n GLU 288 Ca 0.01 -2.95 -0.26 0.00 -0.02 0.00 0.00 57.16 53.95 2c54 n GLU 288 Cb 0.40 -1.74 -0.01 0.00 -0.02 0.00 0.00 31.44 30.07 2c54 n GLU 288 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2c54 n GLU 289 N -0.97 -3.65 -3.00 3.49 -0.58 -0.88 -4.94 120.64 110.11 2c54 n GLU 289 Ca 0.24 0.45 -0.37 0.00 -0.42 0.00 0.00 57.16 57.06 2c54 n GLU 289 Cb 0.87 -4.72 -0.06 0.00 -0.57 0.00 0.00 31.44 26.96 2c54 n GLU 289 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2c54 s LYS 290 N -6.49 4.39 -0.46 3.49 1.02 0.17 -5.02 119.74 116.83 2c54 s LYS 290 Ca 0.09 1.03 -0.01 0.00 0.02 0.00 0.00 55.97 57.11 2c54 s LYS 290 Cb -0.05 -2.93 0.12 0.00 -0.52 0.00 0.00 37.83 34.46 2c54 s LYS 290 CO 0.88 0.40 0.24 0.15 -0.92 0.00 0.00 175.35 176.09 2c54 s LYS 291 N -1.85 2.03 -0.08 1.68 -0.14 -1.26 -4.71 119.74 115.42 2c54 s LYS 291 Ca 0.43 -2.09 0.01 0.00 -1.36 0.00 0.00 55.97 52.96 2c54 s LYS 291 Cb -0.18 -3.52 0.02 0.00 -1.68 0.00 0.00 37.83 32.47 2c54 s LYS 291 CO 0.23 -1.08 -0.08 -0.51 -0.76 0.00 0.00 175.35 173.15 2c54 s LEU 292 N 0.65 1.37 0.58 3.17 1.43 -1.26 -4.97 118.68 119.64 2c54 s LEU 292 Ca 0.12 -0.25 -0.18 0.00 -1.03 0.00 0.00 54.13 52.78 2c54 s LEU 292 Cb -0.22 -0.73 -0.04 0.00 0.03 0.00 0.00 46.19 45.23 2c54 s LEU 292 CO -0.04 -0.05 1.14 -2.16 0.23 0.00 0.00 176.35 175.47 2c54 s PRO 293 N 1.12 3.18 -0.12 1.29 0.04 -1.26 -4.68 135.00 134.57 2c54 s PRO 293 Ca -0.07 1.59 -0.18 0.00 0.04 0.00 0.00 61.00 62.39 2c54 s PRO 293 Cb -0.14 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.37 2c54 s PRO 293 CO -0.01 -0.99 0.46 0.42 0.04 0.00 0.00 177.00 176.92 2c54 s ILE 294 N -1.87 5.20 -0.61 0.56 1.01 -1.26 -0.49 121.20 123.74 2c54 s ILE 294 Ca 0.72 0.92 -0.17 0.00 0.00 0.00 0.00 60.65 62.12 2c54 s ILE 294 Cb -0.24 -3.80 0.13 0.00 0.01 0.00 0.00 42.46 38.55 2c54 s ILE 294 CO 0.31 0.33 0.65 -1.00 0.00 0.00 0.00 174.94 175.23 2c54 s HIS 295 N 0.64 3.16 -0.10 3.97 3.76 -0.08 -4.91 115.29 121.73 2c54 s HIS 295 Ca 0.25 -1.19 -0.30 0.00 -0.15 0.00 0.00 55.06 53.67 2c54 s HIS 295 Cb -0.15 -3.93 -0.03 0.00 1.11 0.00 0.00 32.58 29.58 2c54 s HIS 295 CO 0.10 -1.18 1.33 -1.01 -0.85 0.00 0.00 174.74 173.13 2c54 s HIS 296 N 2.06 2.78 0.12 1.40 3.76 -1.26 -0.84 115.29 123.31 2c54 s HIS 296 Ca 0.10 0.89 0.02 0.00 -0.15 0.00 0.00 55.06 55.92 2c54 s HIS 296 Cb -0.24 -3.57 -0.04 0.00 1.11 0.00 0.00 32.58 29.83 2c54 s HIS 296 CO 0.03 -2.07 -0.05 0.96 -0.85 0.00 0.00 174.74 172.77 2c54 s ILE 297 N 3.18 0.70 0.38 0.60 -4.36 0.16 -4.92 121.20 116.93 2c54 s ILE 297 Ca 0.59 -1.95 -0.28 0.00 -0.26 0.00 0.00 60.65 58.75 2c54 s ILE 297 Cb -0.25 -1.81 -0.11 0.00 1.25 0.00 0.00 42.46 41.54 2c54 s ILE 297 CO 0.20 -0.75 1.45 -2.84 0.24 0.00 0.00 174.94 173.24 2c54 s PRO 298 N -3.86 4.09 -0.08 0.37 0.02 -1.26 -1.78 135.00 132.51 2c54 s PRO 298 Ca 0.15 2.51 -0.31 0.00 0.02 0.00 0.00 61.00 63.37 2c54 s PRO 298 Cb 0.05 -2.94 0.11 0.00 0.02 0.00 0.00 34.50 31.74 2c54 s PRO 298 CO -0.02 -0.52 1.37 0.20 -0.33 0.00 0.00 177.00 177.70 2c54 s GLY 299 N -0.24 -0.29 -0.51 0.52 0.00 -1.26 -4.85 107.32 100.69 2c54 s GLY 299 Ca 0.53 0.40 -0.28 0.00 0.00 0.00 0.00 44.72 45.36 2c54 s GLY 299 CO 0.61 4.41 1.31 2.56 0.00 0.00 0.00 173.10 181.99 2c54 s PRO 300 N -2.04 3.51 0.17 2.90 0.04 -1.26 -4.73 135.00 133.59 2c54 s PRO 300 Ca 0.26 0.56 0.14 0.00 0.04 0.00 0.00 61.00 62.00 2c54 s PRO 300 Cb 0.02 -4.03 -0.06 0.00 0.04 0.00 0.00 34.50 30.48 2c54 s PRO 300 CO -0.04 -1.67 1.17 0.93 0.04 0.00 0.00 177.00 177.43 2c54 h GLU 301 N 10.25 0.00 0.00 4.56 5.08 -1.93 -3.45 114.58 129.10 2c54 h GLU 301 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 2c54 h GLU 301 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2c54 h GLU 301 CO 1.15 0.49 0.00 0.41 -1.00 0.00 0.00 179.01 180.06 2c54 n GLY 302 N 1.32 0.23 3.79 -3.84 0.00 -1.26 -4.80 105.19 100.62 2c54 n GLY 302 Ca -0.03 -0.89 -0.30 0.00 0.00 0.00 0.00 46.02 44.80 2c54 n GLY 302 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2c54 s VAL 303 N 0.00 2.99 0.11 1.61 -7.23 -1.26 -4.97 120.40 111.66 2c54 s VAL 303 Ca 0.00 0.32 -0.01 0.00 -1.81 0.00 0.00 61.98 60.49 2c54 s VAL 303 Cb 0.00 -3.01 -0.22 0.00 0.56 0.00 0.00 36.38 33.71 2c54 s VAL 303 CO 0.00 -0.42 1.25 -0.09 -0.31 0.00 0.00 175.10 175.53 2c54 h ARG 304 N -1.18 0.22 -1.65 4.82 9.65 -1.53 -3.45 114.38 121.27 2c54 h ARG 304 Ca -0.47 -0.31 0.05 0.00 -1.10 0.00 0.00 59.98 58.14 2c54 h ARG 304 Cb 1.27 0.11 -0.24 0.00 -1.39 0.00 0.00 29.97 29.72 2c54 h ARG 304 CO 0.58 1.09 0.45 0.20 2.80 0.00 0.00 179.97 185.09 2c54 s GLY 305 N -4.60 -0.27 0.05 2.80 0.00 -1.06 -1.69 107.32 102.55 2c54 s GLY 305 Ca -0.03 2.23 -0.23 0.00 0.00 0.00 0.00 44.72 46.69 2c54 s GLY 305 CO 0.86 1.40 0.52 1.09 0.00 0.00 0.00 173.10 176.97 2c54 s ARG 306 N -0.47 1.04 0.11 2.90 1.70 -0.88 -4.45 118.95 118.90 2c54 s ARG 306 Ca -0.01 -0.22 -0.08 0.00 -0.47 0.00 0.00 55.73 54.95 2c54 s ARG 306 Cb -0.03 0.47 -0.01 0.00 -0.57 0.00 0.00 34.95 34.82 2c54 s ARG 306 CO -0.01 -0.37 0.19 1.21 -1.08 0.00 0.00 175.30 175.24 2c54 s ASN 307 N -1.96 0.14 0.03 -2.89 2.47 -0.81 -3.58 114.94 108.34 2c54 s ASN 307 Ca -0.05 -0.79 -0.21 0.00 0.42 0.00 0.00 52.86 52.22 2c54 s ASN 307 Cb -0.01 0.35 -0.06 0.00 -1.45 0.00 0.00 41.25 40.09 2c54 s ASN 307 CO -0.02 -0.77 0.63 -0.55 -3.72 0.00 0.00 177.10 172.68 2c54 s SER 308 N -2.91 7.06 -0.33 -4.21 0.15 -1.24 -1.18 113.70 111.03 2c54 s SER 308 Ca 0.10 1.26 -0.16 0.00 0.70 0.00 0.00 55.95 57.86 2c54 s SER 308 Cb 0.05 -2.39 -0.01 0.00 -1.71 0.00 0.00 66.02 61.95 2c54 s SER 308 CO -0.06 0.12 0.40 -0.62 1.20 0.00 0.00 173.24 174.28 2c54 s ASP 309 N -0.37 6.23 -0.15 5.45 -1.08 -0.89 -4.43 116.67 121.43 2c54 s ASP 309 Ca 0.32 -0.09 0.15 0.00 -0.52 0.00 0.00 52.55 52.42 2c54 s ASP 309 Cb -0.19 -2.22 0.70 0.00 -1.46 0.00 0.00 42.92 39.75 2c54 s ASP 309 CO 0.19 -0.35 1.59 0.59 0.52 0.00 0.00 175.17 177.71 2c54 n ASN 310 N 5.46 4.78 -0.23 -0.34 3.02 -1.26 -4.52 115.26 122.17 2c54 n ASN 310 Ca -0.08 -2.59 -0.07 0.00 -0.03 0.00 0.00 54.58 51.82 2c54 n ASN 310 Cb 0.49 -0.60 0.04 0.00 -0.61 0.00 0.00 39.78 39.10 2c54 n ASN 310 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 2c54 h ASN 311 N 3.71 0.81 -0.11 6.41 2.35 -1.98 -2.26 115.58 124.51 2c54 h ASN 311 Ca 0.00 -0.11 -0.05 0.00 -0.55 0.00 0.00 56.30 55.58 2c54 h ASN 311 Cb 1.56 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 39.72 2c54 h ASN 311 CO 0.31 0.70 -0.14 0.25 -1.65 0.00 0.00 177.43 176.90 2c54 h LEU 312 N 0.87 0.32 -1.35 1.61 5.85 -1.98 -0.21 115.31 120.42 2c54 h LEU 312 Ca 0.22 -0.50 0.03 0.00 0.84 0.00 0.00 57.88 58.47 2c54 h LEU 312 Cb 0.08 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 2c54 h LEU 312 CO -0.03 0.76 0.46 -0.29 -0.34 0.00 0.00 178.44 179.00 2c54 h ILE 313 N -0.11 1.11 -0.31 4.05 2.10 -1.85 0.78 117.51 123.28 2c54 h ILE 313 Ca 0.02 -0.29 -0.02 0.00 1.08 0.00 0.00 64.86 65.64 2c54 h ILE 313 Cb 0.68 0.18 -0.01 0.00 -1.09 0.00 0.00 36.82 36.57 2c54 h ILE 313 CO 0.03 0.16 0.11 0.11 -1.08 0.00 0.00 178.15 177.47 2c54 h LYS 314 N 0.86 0.48 -0.20 2.19 1.57 -1.19 0.15 116.57 120.42 2c54 h LYS 314 Ca 0.27 -0.10 0.01 0.00 -1.87 0.00 0.00 60.65 58.97 2c54 h LYS 314 Cb 0.04 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2c54 h LYS 314 CO -0.07 0.51 0.11 1.49 -0.57 0.00 0.00 179.45 180.92 2c54 h GLU 315 N 0.35 0.23 0.07 3.15 4.81 -0.28 0.66 114.58 123.57 2c54 h GLU 315 Ca 0.10 -0.01 -0.32 0.00 -0.13 0.00 0.00 59.36 59.00 2c54 h GLU 315 Cb 0.23 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 2c54 h GLU 315 CO -0.00 0.15 -1.76 0.87 -0.73 0.00 0.00 179.01 177.54 2c54 h LYS 316 N 0.24 0.14 0.00 1.92 1.79 -0.82 -3.40 116.57 116.44 2c54 h LYS 316 Ca 0.08 -0.24 0.00 0.00 -2.18 0.00 0.00 60.65 58.31 2c54 h LYS 316 Cb -0.00 0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 2c54 h LYS 316 CO -0.04 0.88 -1.36 1.28 -1.08 0.00 0.00 179.45 179.13 2c54 n LEU 317 N -3.29 0.07 -2.63 2.94 4.77 0.51 -5.01 117.00 114.37 2c54 n LEU 317 Ca -0.22 -0.07 -0.19 0.00 -0.03 0.00 0.00 56.01 55.51 2c54 n LEU 317 Cb 1.05 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 42.17 2c54 n LEU 317 CO 0.45 0.02 0.05 0.61 -1.33 0.00 0.00 177.39 177.19 2c54 n GLY 318 N 1.78 -0.29 3.54 -0.72 0.00 0.22 -4.99 105.19 104.74 2c54 n GLY 318 Ca -0.01 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 2c54 n GLY 318 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2c54 s TRP 319 N -3.11 -0.62 0.10 1.61 -0.00 -1.25 -5.00 118.94 110.66 2c54 s TRP 319 Ca 0.31 1.13 -0.17 0.00 -0.00 0.00 0.00 56.10 57.37 2c54 s TRP 319 Cb -0.14 0.40 0.04 0.00 -0.00 0.00 0.00 33.47 33.77 2c54 s TRP 319 CO 0.38 -0.54 0.42 0.00 -0.00 0.00 0.00 176.95 177.21 2c54 s ALA 320 N -1.00 -1.00 0.35 5.86 0.00 -1.26 -3.65 121.76 121.06 2c54 s ALA 320 Ca -0.08 0.10 -0.28 0.00 0.00 0.00 0.00 51.96 51.69 2c54 s ALA 320 Cb -0.01 0.60 -0.11 0.00 0.00 0.00 0.00 23.12 23.60 2c54 s ALA 320 CO 0.08 -0.60 1.48 -2.30 0.00 0.00 0.00 175.76 174.42 2c54 n PRO 321 N -0.02 2.58 -0.35 0.00 -0.02 -1.26 -4.91 135.00 131.01 2c54 n PRO 321 Ca -0.17 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 2c54 n PRO 321 Cb 0.63 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 2c54 n PRO 321 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2c54 n ASN 322 N 0.87 0.00 -4.77 2.55 4.05 -1.26 -4.73 115.26 111.98 2c54 n ASN 322 Ca 0.03 -1.59 -0.39 0.00 0.45 0.00 0.00 54.58 53.08 2c54 n ASN 322 Cb 0.38 -0.12 -0.01 0.00 1.23 0.00 0.00 39.78 41.26 2c54 n ASN 322 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 177.26 173.89 2c54 s MET 323 N 0.00 4.00 0.18 1.20 1.75 -1.26 -4.99 119.30 120.18 2c54 s MET 323 Ca 0.00 1.97 -0.30 0.00 -1.25 0.00 0.00 55.69 56.11 2c54 s MET 323 Cb 0.00 -2.70 -0.08 0.00 2.84 0.00 0.00 34.83 34.89 2c54 s MET 323 CO 0.00 -0.41 1.16 1.03 -0.65 0.00 0.00 175.02 176.16 2c54 s ARG 324 N -2.28 4.52 0.23 4.11 1.81 -1.26 -4.94 118.95 121.14 2c54 s ARG 324 Ca 0.57 1.82 -0.07 0.00 -1.72 0.00 0.00 55.73 56.33 2c54 s ARG 324 Cb -0.34 -3.26 0.36 0.00 -0.45 0.00 0.00 34.95 31.26 2c54 s ARG 324 CO 0.43 -0.04 1.75 1.25 -0.68 0.00 0.00 175.30 178.01 2c54 h LEU 325 N 5.28 0.35 -1.78 2.53 5.85 -1.94 -1.45 115.31 124.15 2c54 h LEU 325 Ca -0.44 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.34 2c54 h LEU 325 Cb 1.21 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 2c54 h LEU 325 CO 0.74 0.18 -0.03 0.50 -0.34 0.00 0.00 178.44 179.49 2c54 h LYS 326 N 0.51 0.09 0.04 1.25 3.64 -1.98 0.15 116.57 120.27 2c54 h LYS 326 Ca 0.36 -0.01 -0.24 0.00 -1.27 0.00 0.00 60.65 59.49 2c54 h LYS 326 Cb 0.45 -0.02 0.02 0.00 -0.41 0.00 0.00 32.23 32.27 2c54 h LYS 326 CO -0.32 0.14 -0.96 0.93 -2.27 0.00 0.00 179.45 176.97 2c54 h GLU 327 N 0.09 0.58 -0.63 1.90 4.39 -1.68 -1.46 114.58 117.77 2c54 h GLU 327 Ca 0.02 -0.68 -0.06 0.00 0.34 0.00 0.00 59.36 58.99 2c54 h GLU 327 Cb 0.12 0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.95 2c54 h GLU 327 CO 0.01 1.28 0.18 0.78 -1.16 0.00 0.00 179.01 180.09 2c54 h GLY 328 N 0.18 1.06 1.07 -3.84 0.00 -0.95 -2.73 103.07 97.86 2c54 h GLY 328 Ca -0.13 -0.65 -0.02 0.00 0.00 0.00 0.00 47.33 46.53 2c54 h GLY 328 CO 0.19 0.60 0.46 1.41 0.00 0.00 0.00 176.54 179.20 2c54 h LEU 329 N 0.91 1.09 -0.31 3.11 3.38 -0.72 -1.41 115.31 121.36 2c54 h LEU 329 Ca 0.20 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.08 2c54 h LEU 329 Cb 0.32 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2c54 h LEU 329 CO -0.00 0.88 0.17 -0.09 0.09 0.00 0.00 178.44 179.49 2c54 h ARG 330 N 1.21 0.35 -0.50 1.13 2.43 -1.06 0.21 114.38 118.16 2c54 h ARG 330 Ca 0.30 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.52 2c54 h ARG 330 Cb 0.05 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.46 2c54 h ARG 330 CO -0.05 0.23 0.19 0.82 -1.51 0.00 0.00 179.97 179.65 2c54 h ILE 331 N 0.36 0.85 -0.41 1.20 2.04 -1.28 -2.10 117.51 118.16 2c54 h ILE 331 Ca 0.13 -0.13 -0.08 0.00 1.00 0.00 0.00 64.86 65.78 2c54 h ILE 331 Cb 0.02 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 2c54 h ILE 331 CO -0.07 0.07 -0.07 0.74 0.00 0.00 0.00 178.15 178.82 2c54 h THR 332 N 0.37 1.27 -0.08 -0.27 2.02 -0.81 -2.02 112.91 113.40 2c54 h THR 332 Ca 0.24 -1.15 0.03 0.00 0.77 0.00 0.00 66.41 66.30 2c54 h THR 332 Cb 0.24 1.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 2c54 h THR 332 CO -0.23 0.39 -0.12 0.22 0.37 0.00 0.00 175.52 176.14 2c54 h TYR 333 N 0.59 -0.30 0.00 3.16 5.03 -0.39 -0.28 116.97 124.78 2c54 h TYR 333 Ca 0.11 0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.37 2c54 h TYR 333 Cb 0.58 0.15 -0.01 0.00 1.55 0.00 0.00 36.73 39.00 2c54 h TYR 333 CO 0.05 -0.18 -0.29 0.74 -1.32 0.00 0.00 178.16 177.15 2c54 h PHE 334 N -0.17 0.00 -0.20 -3.82 0.04 -1.29 -0.03 116.94 111.47 2c54 h PHE 334 Ca 0.07 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.80 2c54 h PHE 334 Cb 0.26 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.41 2c54 h PHE 334 CO -0.22 0.29 -0.04 2.35 -0.60 0.00 0.00 178.31 180.09 2c54 h TRP 335 N 0.00 0.44 -0.93 -0.55 7.01 -0.99 -2.18 115.95 118.75 2c54 h TRP 335 Ca -0.00 -0.09 -0.01 0.00 2.11 0.00 0.00 58.89 60.90 2c54 h TRP 335 Cb 0.77 -0.11 -0.04 0.00 -2.10 0.00 0.00 29.16 27.68 2c54 h TRP 335 CO 0.00 0.63 0.56 0.82 -2.79 0.00 0.00 178.44 177.66 2c54 h ILE 336 N 0.12 1.26 -0.71 2.65 2.04 -0.66 -1.70 117.51 120.50 2c54 h ILE 336 Ca 0.05 -0.57 0.04 0.00 1.00 0.00 0.00 64.86 65.38 2c54 h ILE 336 Cb 0.49 -0.05 -0.05 0.00 -0.74 0.00 0.00 36.82 36.47 2c54 h ILE 336 CO 0.02 0.27 0.44 0.50 0.00 0.00 0.00 178.15 179.38 2c54 h LYS 337 N 1.29 0.82 -0.74 2.37 3.64 -0.82 -0.36 116.57 122.76 2c54 h LYS 337 Ca 0.33 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 2c54 h LYS 337 Cb -0.05 -0.18 -0.04 0.00 -0.41 0.00 0.00 32.23 31.55 2c54 h LYS 337 CO -0.06 0.54 0.42 0.93 -2.27 0.00 0.00 179.45 179.01 2c54 h GLU 338 N 0.84 1.03 -0.66 1.90 5.08 -0.93 -2.41 114.58 119.43 2c54 h GLU 338 Ca 0.29 -0.11 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 2c54 h GLU 338 Cb 0.05 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.06 2c54 h GLU 338 CO -0.12 0.75 0.29 1.96 -1.00 0.00 0.00 179.01 180.89 2c54 h GLN 339 N 1.02 0.95 -0.51 2.33 1.08 -0.45 -1.28 115.11 118.26 2c54 h GLN 339 Ca 0.26 -0.14 -0.05 0.00 -1.45 0.00 0.00 58.65 57.27 2c54 h GLN 339 Cb 0.01 -0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 27.25 2c54 h GLN 339 CO -0.04 0.76 0.12 0.82 -0.95 0.00 0.00 178.83 179.53 2c54 h ILE 340 N 0.94 1.24 -0.81 2.54 2.04 -0.83 -1.14 117.51 121.49 2c54 h ILE 340 Ca 0.23 -0.87 0.01 0.00 1.00 0.00 0.00 64.86 65.23 2c54 h ILE 340 Cb 0.14 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 2c54 h ILE 340 CO -0.02 0.31 0.54 -0.33 0.00 0.00 0.00 178.15 178.65 2c54 h GLU 341 N 0.70 1.07 -0.68 2.37 5.08 -1.09 -1.65 114.58 120.37 2c54 h GLU 341 Ca 0.16 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.38 2c54 h GLU 341 Cb 0.35 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 2c54 h GLU 341 CO 0.00 0.71 0.15 0.87 -1.00 0.00 0.00 179.01 179.74 2c54 h LYS 342 N 1.10 1.09 -0.61 2.33 1.57 -0.89 -2.11 116.57 119.05 2c54 h LYS 342 Ca 0.30 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 2c54 h LYS 342 Cb -0.12 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.02 2c54 h LYS 342 CO -0.07 0.97 0.22 0.93 -0.57 0.00 0.00 179.45 180.93 2c54 h GLU 343 N 1.04 0.93 -0.92 3.15 4.39 -0.82 -2.38 114.58 119.98 2c54 h GLU 343 Ca 0.21 -0.19 0.02 0.00 0.34 0.00 0.00 59.36 59.75 2c54 h GLU 343 Cb 0.38 -0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 28.84 2c54 h GLU 343 CO 0.00 0.81 0.61 0.87 -1.16 0.00 0.00 179.01 180.14 2c54 h LYS 344 N 0.86 1.17 0.00 2.33 1.57 -0.96 -1.41 116.57 120.14 2c54 h LYS 344 Ca 0.20 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2c54 h LYS 344 Cb 0.25 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.30 2c54 h LYS 344 CO -0.01 0.77 0.00 0.00 -0.57 0.00 0.00 179.45 179.64 2c54 h ALA 345 N 1.44 1.00 -0.41 3.86 0.00 -0.90 -2.45 119.26 121.80 2c54 h ALA 345 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2c54 h ALA 345 Cb -0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2c54 h ALA 345 CO -0.09 0.00 0.00 0.36 0.00 0.00 0.00 179.25 179.52 2c54 n LYS 346 N -2.82 3.15 -2.93 0.00 2.85 -0.80 -4.97 118.16 112.64 2c54 n LYS 346 Ca 0.00 -2.56 -0.17 0.00 -1.05 0.00 0.00 58.31 54.54 2c54 n LYS 346 Cb 0.24 -1.64 0.03 0.00 -0.65 0.00 0.00 35.03 33.01 2c54 n LYS 346 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2c54 n GLY 347 N 0.38 -0.18 3.77 2.58 0.00 -0.92 -5.02 105.19 105.80 2c54 n GLY 347 Ca 0.19 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 2c54 n GLY 347 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2c54 s SER 348 N -2.90 6.88 -0.15 1.61 0.01 -0.60 -5.04 113.70 113.52 2c54 s SER 348 Ca 0.27 1.05 -0.23 0.00 1.31 0.00 0.00 55.95 58.35 2c54 s SER 348 Cb -0.12 -2.32 -0.02 0.00 0.21 0.00 0.00 66.02 63.76 2c54 s SER 348 CO 0.34 0.15 0.72 -0.62 0.41 0.00 0.00 173.24 174.23 2c54 s ASP 349 N -0.30 6.87 -0.00 2.44 -1.08 -1.26 -4.27 116.67 119.07 2c54 s ASP 349 Ca 0.28 1.06 0.22 0.00 -0.52 0.00 0.00 52.55 53.58 2c54 s ASP 349 Cb -0.17 -2.40 0.62 0.00 -1.46 0.00 0.00 42.92 39.51 2c54 s ASP 349 CO 0.15 -0.27 1.52 1.33 0.52 0.00 0.00 175.17 178.42 2c54 n VAL 350 N 4.43 1.01 0.30 1.11 0.24 -1.26 -4.71 118.33 119.44 2c54 n VAL 350 Ca 0.01 -1.00 0.19 0.00 -2.04 0.00 0.00 64.34 61.49 2c54 n VAL 350 Cb 0.50 0.50 0.84 0.00 -1.47 0.00 0.00 33.84 34.21 2c54 n VAL 350 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2c54 h SER 351 N 4.11 0.00 -0.26 -1.34 4.64 -1.98 -2.42 113.55 116.30 2c54 h SER 351 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2c54 h SER 351 Cb 0.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.06 2c54 h SER 351 CO 0.00 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.14 2c54 n LEU 352 N -3.09 3.19 0.14 5.97 4.77 -1.26 -4.57 117.00 122.13 2c54 n LEU 352 Ca -0.00 -1.36 0.11 0.00 -0.03 0.00 0.00 56.01 54.72 2c54 n LEU 352 Cb 0.24 -0.16 0.52 0.00 -2.33 0.00 0.00 43.42 41.68 2c54 n LEU 352 CO 0.25 0.65 0.83 -1.22 -1.33 0.00 0.00 177.39 176.57 2c54 n TYR 353 N 1.33 0.74 1.19 -1.77 4.02 -0.91 -2.56 117.16 119.20 2c54 n TYR 353 Ca 0.16 0.34 0.12 0.00 -0.01 0.00 0.00 57.90 58.51 2c54 n TYR 353 Cb 0.57 -1.04 0.63 0.00 -0.02 0.00 0.00 39.34 39.48 2c54 n TYR 353 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2c54 n GLY 354 N -0.64 -1.12 3.23 2.72 0.00 -1.26 -4.27 105.19 103.85 2c54 n GLY 354 Ca 0.00 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.66 2c54 n GLY 354 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2c54 s SER 355 N -2.57 2.30 0.13 1.61 0.01 -1.06 -4.51 113.70 109.60 2c54 s SER 355 Ca 0.24 -0.51 -0.08 0.00 1.31 0.00 0.00 55.95 56.91 2c54 s SER 355 Cb 0.17 -0.18 -0.06 0.00 0.21 0.00 0.00 66.02 66.16 2c54 s SER 355 CO 0.39 0.13 0.41 -0.44 0.41 0.00 0.00 173.24 174.14 2c54 s SER 356 N -1.19 6.58 -0.03 2.44 0.01 -1.26 -5.02 113.70 115.23 2c54 s SER 356 Ca 0.06 0.73 -0.18 0.00 1.31 0.00 0.00 55.95 57.87 2c54 s SER 356 Cb -0.09 -2.15 -0.05 0.00 0.21 0.00 0.00 66.02 63.94 2c54 s SER 356 CO 0.02 0.09 0.49 -0.54 0.41 0.00 0.00 173.24 173.71 2c54 s LYS 357 N -2.34 4.19 -0.25 12.44 1.02 -1.26 -5.06 119.74 128.47 2c54 s LYS 357 Ca 0.38 0.54 -0.18 0.00 0.02 0.00 0.00 55.97 56.74 2c54 s LYS 357 Cb -0.13 -3.32 -0.03 0.00 -0.52 0.00 0.00 37.83 33.83 2c54 s LYS 357 CO 0.21 0.44 0.50 0.08 -0.92 0.00 0.00 175.35 175.66 2c54 s VAL 358 N -0.35 5.09 -0.08 3.17 1.01 -1.26 -4.61 120.40 123.37 2c54 s VAL 358 Ca 0.27 0.86 -0.30 0.00 0.00 0.00 0.00 61.98 62.81 2c54 s VAL 358 Cb -0.17 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 2c54 s VAL 358 CO 0.14 0.11 1.17 -0.69 0.00 0.00 0.00 175.10 175.84 2c54 s VAL 359 N 2.15 4.35 0.68 2.92 1.01 0.22 -4.99 120.40 126.75 2c54 s VAL 359 Ca 0.21 1.66 -0.15 0.00 0.00 0.00 0.00 61.98 63.70 2c54 s VAL 359 Cb -0.16 -4.07 0.01 0.00 0.00 0.00 0.00 36.38 32.17 2c54 s VAL 359 CO 0.09 -0.03 1.14 -0.83 0.00 0.00 0.00 175.10 175.48 2c54 s GLY 360 N 1.48 2.23 0.20 4.51 0.00 -1.26 -4.73 107.32 109.74 2c54 s GLY 360 Ca 0.54 0.67 -0.33 0.00 0.00 0.00 0.00 44.72 45.60 2c54 s GLY 360 CO 0.20 1.04 1.67 2.41 0.00 0.00 0.00 173.10 178.42 2c54 n THR 361 N -2.49 0.02 -4.40 0.90 -1.04 -1.23 -4.89 114.28 101.16 2c54 n THR 361 Ca 0.11 -0.01 -0.25 0.00 -2.04 0.00 0.00 64.05 61.87 2c54 n THR 361 Cb 0.51 -1.84 -0.10 0.00 -1.82 0.00 0.00 70.33 67.08 2c54 n THR 361 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 2c54 s GLN 362 N 1.05 1.80 0.22 -2.82 -0.21 -1.26 -5.07 119.66 113.36 2c54 s GLN 362 Ca 0.76 -1.56 0.05 0.00 0.02 0.00 0.00 55.36 54.63 2c54 s GLN 362 Cb -0.56 -1.92 -0.03 0.00 1.00 0.00 0.00 33.01 31.50 2c54 s GLN 362 CO 0.34 0.37 0.32 0.00 -2.12 0.00 0.00 175.29 174.20 2c54 s ALA 363 N -2.11 3.88 0.23 6.09 0.00 -1.26 -4.35 121.76 124.24 2c54 s ALA 363 Ca 0.27 -1.22 -0.32 0.00 0.00 0.00 0.00 51.96 50.69 2c54 s ALA 363 Cb -0.07 -1.67 -0.12 0.00 0.00 0.00 0.00 23.12 21.26 2c54 s ALA 363 CO 0.14 0.30 1.63 -2.30 0.00 0.00 0.00 175.76 175.54 2c54 n PRO 364 N -1.19 2.59 -1.23 0.00 -0.02 -1.26 -4.99 135.00 128.90 2c54 n PRO 364 Ca -0.08 0.93 -0.33 0.00 -2.02 0.00 0.00 63.50 62.00 2c54 n PRO 364 Cb 0.57 -2.73 0.11 0.00 -0.02 0.00 0.00 33.50 31.43 2c54 n PRO 364 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2c54 s VAL 365 N 0.62 2.53 0.55 -1.45 -7.23 -1.26 -4.97 120.40 109.19 2c54 s VAL 365 Ca 0.71 0.22 -0.19 0.00 -1.81 0.00 0.00 61.98 60.91 2c54 s VAL 365 Cb -0.54 -2.61 -0.05 0.00 0.56 0.00 0.00 36.38 33.74 2c54 s VAL 365 CO 0.40 -0.18 1.13 0.00 -0.31 0.00 0.00 175.10 176.14 2c54 s GLN 366 N -4.32 3.30 0.37 4.82 -2.07 -1.26 -4.91 119.66 115.59 2c54 s GLN 366 Ca 0.69 1.60 -0.28 0.00 -1.82 0.00 0.00 55.36 55.55 2c54 s GLN 366 Cb -0.24 -2.00 -0.11 0.00 -1.09 0.00 0.00 33.01 29.57 2c54 s GLN 366 CO 0.50 -0.89 1.45 1.28 -1.32 0.00 0.00 175.29 176.31 2c54 n LEU 367 N -1.41 4.53 0.00 2.60 4.77 -1.26 -2.57 117.00 123.67 2c54 n LEU 367 Ca 0.12 1.22 0.00 0.00 -0.03 0.00 0.00 56.01 57.32 2c54 n LEU 367 Cb 0.51 -1.59 0.00 0.00 -2.33 0.00 0.00 43.42 40.01 2c54 n LEU 367 CO 0.43 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2c54 n GLY 368 N 0.52 0.71 3.88 -0.72 0.00 -1.26 -5.08 105.19 103.24 2c54 n GLY 368 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 2c54 n GLY 368 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2c54 s SER 369 N -2.07 6.28 -0.03 1.61 0.01 -1.06 -4.91 113.70 113.53 2c54 s SER 369 Ca 0.00 1.24 0.02 0.00 1.31 0.00 0.00 55.95 58.52 2c54 s SER 369 Cb 0.00 -2.39 -0.03 0.00 0.21 0.00 0.00 66.02 63.81 2c54 s SER 369 CO 0.00 -0.72 -0.07 -0.76 0.41 0.00 0.00 173.24 172.10 2c54 s LEU 370 N -4.89 3.18 0.00 2.44 1.43 -1.26 -4.35 118.68 115.23 2c54 s LEU 370 Ca 0.52 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 2c54 s LEU 370 Cb -0.11 -1.77 0.00 0.00 0.03 0.00 0.00 46.19 44.35 2c54 s LEU 370 CO 0.48 0.32 0.37 -1.14 0.23 0.00 0.00 176.35 176.61