#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cmr s ILE 2 N 0.00 4.82 -0.14 2.12 1.01 -1.26 -5.02 121.20 122.74 2cmr s ILE 2 Ca 0.00 1.64 -0.15 0.00 0.00 0.00 0.00 60.65 62.14 2cmr s ILE 2 Cb 0.00 -4.15 -0.05 0.00 0.01 0.00 0.00 42.46 38.28 2cmr s ILE 2 CO 0.00 -0.07 0.35 -1.10 0.00 0.00 0.00 174.94 174.12 2cmr s GLN 3 N 2.78 4.24 -0.16 2.79 -1.52 -1.26 -4.76 119.66 121.77 2cmr s GLN 3 Ca 0.37 0.21 -0.02 0.00 -1.95 0.00 0.00 55.36 53.96 2cmr s GLN 3 Cb -0.15 -3.41 -0.02 0.00 -0.22 0.00 0.00 33.01 29.20 2cmr s GLN 3 CO 0.08 0.25 -0.07 -1.64 -0.25 0.00 0.00 175.29 173.66 2cmr s MET 4 N 0.39 3.53 -0.18 2.91 -1.94 -1.26 -0.99 119.30 121.76 2cmr s MET 4 Ca 0.20 -0.59 0.01 0.00 -1.71 0.00 0.00 55.69 53.59 2cmr s MET 4 Cb -0.14 -2.83 0.02 0.00 2.01 0.00 0.00 34.83 33.89 2cmr s MET 4 CO 0.06 0.17 -0.20 0.99 -0.01 0.00 0.00 175.02 176.03 2cmr s THR 5 N 0.52 2.05 -0.03 2.05 2.01 -0.30 -4.10 115.64 117.84 2cmr s THR 5 Ca -0.05 -0.94 -0.02 0.00 0.31 0.00 0.00 61.69 60.99 2cmr s THR 5 Cb -0.15 -1.85 -0.04 0.00 0.01 0.00 0.00 72.50 70.48 2cmr s THR 5 CO 0.03 0.54 0.12 -1.10 -0.69 0.00 0.00 174.62 173.52 2cmr s GLN 6 N 1.25 3.23 -0.01 4.92 -0.21 -1.26 -0.93 119.66 126.64 2cmr s GLN 6 Ca 0.04 -0.38 -0.01 0.00 0.02 0.00 0.00 55.36 55.03 2cmr s GLN 6 Cb -0.13 -2.97 0.00 0.00 1.00 0.00 0.00 33.01 30.90 2cmr s GLN 6 CO -0.12 0.68 0.03 0.45 -2.12 0.00 0.00 175.29 174.21 2cmr s SER 7 N -1.64 -0.02 0.76 5.90 0.15 -0.61 -4.39 113.70 113.86 2cmr s SER 7 Ca 0.22 0.03 -0.12 0.00 0.70 0.00 0.00 55.95 56.79 2cmr s SER 7 Cb -0.12 0.06 0.05 0.00 -1.71 0.00 0.00 66.02 64.30 2cmr s SER 7 CO 0.13 -0.02 1.14 -2.16 1.20 0.00 0.00 173.24 173.53 2cmr s PRO 8 N -0.05 2.37 0.20 5.44 0.04 -1.26 -1.15 135.00 140.58 2cmr s PRO 8 Ca -0.01 0.30 -0.09 0.00 0.04 0.00 0.00 61.00 61.25 2cmr s PRO 8 Cb -0.01 -1.98 0.11 0.00 0.04 0.00 0.00 34.50 32.66 2cmr s PRO 8 CO 0.00 -1.35 1.71 1.03 0.04 0.00 0.00 177.00 178.43 2cmr h SER 9 N -0.88 1.07 -4.76 6.66 0.87 -1.82 -3.41 113.55 111.28 2cmr h SER 9 Ca -0.46 -0.24 -0.23 0.00 -1.23 0.00 0.00 61.79 59.64 2cmr h SER 9 Cb 1.29 -0.28 -0.18 0.00 -0.44 0.00 0.00 62.40 62.79 2cmr h SER 9 CO 0.65 1.03 -0.71 0.42 -0.53 0.00 0.00 176.83 177.68 2cmr s THR 10 N -5.30 0.55 -0.17 2.23 -4.23 -1.26 -1.65 115.64 105.81 2cmr s THR 10 Ca -0.12 -1.50 -0.16 0.00 -1.18 0.00 0.00 61.69 58.73 2cmr s THR 10 Cb 0.15 -1.13 0.05 0.00 1.34 0.00 0.00 72.50 72.90 2cmr s THR 10 CO 0.85 -0.66 0.46 -0.22 -0.54 0.00 0.00 174.62 174.51 2cmr s LEU 11 N -2.33 0.23 -0.07 4.79 2.96 -0.58 -4.93 118.68 118.75 2cmr s LEU 11 Ca 0.01 0.93 0.02 0.00 -0.22 0.00 0.00 54.13 54.86 2cmr s LEU 11 Cb -0.02 1.57 -0.03 0.00 0.50 0.00 0.00 46.19 48.22 2cmr s LEU 11 CO -0.03 -0.16 -0.12 -0.44 -1.32 0.00 0.00 176.35 174.28 2cmr s SER 12 N 0.29 4.23 -0.03 3.68 0.01 -1.26 -0.89 113.70 119.73 2cmr s SER 12 Ca -0.00 -0.15 -0.22 0.00 1.31 0.00 0.00 55.95 56.88 2cmr s SER 12 Cb -0.03 -1.04 0.04 0.00 0.21 0.00 0.00 66.02 65.20 2cmr s SER 12 CO 0.00 0.33 0.48 0.00 0.41 0.00 0.00 173.24 174.46 2cmr s ALA 13 N -0.62 -1.23 0.53 1.44 0.00 -0.68 -4.87 121.76 116.32 2cmr s ALA 13 Ca 0.09 0.76 -0.21 0.00 0.00 0.00 0.00 51.96 52.60 2cmr s ALA 13 Cb -0.11 0.06 -0.06 0.00 0.00 0.00 0.00 23.12 23.01 2cmr s ALA 13 CO 0.01 -0.32 1.18 -1.12 0.00 0.00 0.00 175.76 175.52 2cmr s SER 14 N -1.30 5.70 0.23 0.00 0.01 -1.26 -1.03 113.70 116.06 2cmr s SER 14 Ca -0.12 2.33 -0.32 0.00 1.31 0.00 0.00 55.95 59.15 2cmr s SER 14 Cb -0.03 -2.60 -0.13 0.00 0.21 0.00 0.00 66.02 63.47 2cmr s SER 14 CO 0.06 -1.24 1.52 -0.38 0.41 0.00 0.00 173.24 173.62 2cmr n ILE 15 N -1.06 0.64 0.00 1.44 5.41 -1.26 -1.82 119.36 122.71 2cmr n ILE 15 Ca 0.10 -0.16 0.00 0.00 1.00 0.00 0.00 62.75 63.69 2cmr n ILE 15 Cb 0.49 -1.65 0.00 0.00 -0.71 0.00 0.00 39.64 37.77 2cmr n ILE 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2cmr n GLY 16 N 2.64 1.99 3.85 7.39 0.00 0.33 -4.92 105.19 116.47 2cmr n GLY 16 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.84 2cmr n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cmr s ASP 17 N -1.43 5.39 0.09 1.61 1.11 -0.75 -4.23 116.67 118.45 2cmr s ASP 17 Ca 0.00 1.35 -0.06 0.00 0.18 0.00 0.00 52.55 54.02 2cmr s ASP 17 Cb 0.00 -2.21 -0.05 0.00 1.07 0.00 0.00 42.92 41.72 2cmr s ASP 17 CO 0.00 -1.40 0.35 0.00 1.18 0.00 0.00 175.17 175.30 2cmr s ARG 18 N -5.20 3.64 0.05 8.23 1.70 -1.25 -0.49 118.95 125.64 2cmr s ARG 18 Ca 0.58 -0.03 0.02 0.00 -0.47 0.00 0.00 55.73 55.83 2cmr s ARG 18 Cb -0.12 -2.95 -0.03 0.00 -0.57 0.00 0.00 34.95 31.27 2cmr s ARG 18 CO 0.54 0.54 -0.07 0.14 -1.08 0.00 0.00 175.30 175.37 2cmr s VAL 19 N -1.49 0.54 -0.06 4.99 -7.23 -0.63 -5.00 120.40 111.51 2cmr s VAL 19 Ca 0.35 -1.29 0.04 0.00 -1.81 0.00 0.00 61.98 59.27 2cmr s VAL 19 Cb -0.13 -0.87 0.00 0.00 0.56 0.00 0.00 36.38 35.95 2cmr s VAL 19 CO 0.21 -0.53 -0.18 -0.89 -0.31 0.00 0.00 175.10 173.40 2cmr s THR 20 N -1.99 1.56 0.25 5.32 2.01 -1.26 -1.11 115.64 120.41 2cmr s THR 20 Ca -0.05 -0.76 0.10 0.00 0.31 0.00 0.00 61.69 61.29 2cmr s THR 20 Cb -0.06 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 2cmr s THR 20 CO -0.01 0.45 -0.06 0.27 -0.69 0.00 0.00 174.62 174.57 2cmr s ILE 21 N 0.27 3.20 0.11 1.82 -4.36 -0.35 -4.87 121.20 117.03 2cmr s ILE 21 Ca -0.11 -1.95 0.07 0.00 -0.26 0.00 0.00 60.65 58.40 2cmr s ILE 21 Cb -0.15 -2.68 -0.04 0.00 1.25 0.00 0.00 42.46 40.85 2cmr s ILE 21 CO 0.04 -0.32 -0.16 0.42 0.24 0.00 0.00 174.94 175.16 2cmr s THR 22 N -2.22 1.44 -0.04 8.37 -4.23 -0.30 -1.90 115.64 116.76 2cmr s THR 22 Ca 0.30 -1.63 0.01 0.00 -1.18 0.00 0.00 61.69 59.18 2cmr s THR 22 Cb -0.07 -1.49 0.02 0.00 1.34 0.00 0.00 72.50 72.30 2cmr s THR 22 CO 0.18 -0.29 -0.04 0.00 -0.54 0.00 0.00 174.62 173.92 2cmr s ARG 24 N 0.87 2.30 0.23 0.00 3.52 -0.11 -0.95 118.95 124.80 2cmr s ARG 24 Ca -0.11 -0.61 -0.10 0.00 -0.13 0.00 0.00 55.73 54.77 2cmr s ARG 24 Cb -0.14 -1.84 -0.07 0.00 -1.56 0.00 0.00 34.95 31.34 2cmr s ARG 24 CO 0.00 0.06 0.55 0.00 -0.81 0.00 0.00 175.30 175.10 2cmr s ALA 25 N 0.62 3.57 -0.75 6.12 0.00 -0.46 -1.15 121.76 129.72 2cmr s ALA 25 Ca -0.14 -0.27 0.21 0.00 0.00 0.00 0.00 51.96 51.76 2cmr s ALA 25 Cb -0.16 -2.44 0.86 0.00 0.00 0.00 0.00 23.12 21.38 2cmr s ALA 25 CO 0.04 0.51 1.65 -1.13 0.00 0.00 0.00 175.76 176.83 2cmr n SER 26 N -0.10 0.38 -3.89 0.00 3.41 -0.16 -4.80 113.62 108.46 2cmr n SER 26 Ca 0.00 0.58 -0.09 0.00 -0.26 0.00 0.00 58.87 59.10 2cmr n SER 26 Cb 0.52 -0.67 -0.06 0.00 -0.26 0.00 0.00 64.21 63.75 2cmr n SER 26 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 2cmr s GLU 27 N -3.15 1.25 0.23 4.33 -1.05 -1.26 -4.98 118.70 114.06 2cmr s GLU 27 Ca 0.07 -1.08 -0.32 0.00 -0.15 0.00 0.00 54.97 53.50 2cmr s GLU 27 Cb 0.11 0.43 -0.12 0.00 -0.44 0.00 0.00 34.13 34.10 2cmr s GLU 27 CO 0.38 -0.48 1.65 0.41 0.95 0.00 0.00 175.26 178.17 2cmr n GLY 28 N -0.26 1.38 0.26 -3.83 0.00 -1.26 -4.68 105.19 96.79 2cmr n GLY 28 Ca -0.08 0.57 0.06 0.00 0.00 0.00 0.00 46.02 46.57 2cmr n GLY 28 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2cmr n ILE 29 N 3.24 1.14 0.00 -0.61 -5.35 0.10 -4.97 119.36 112.91 2cmr n ILE 29 Ca 0.14 -1.39 0.00 0.00 -0.27 0.00 0.00 62.75 61.23 2cmr n ILE 29 Cb 0.34 0.06 0.00 0.00 -1.74 0.00 0.00 39.64 38.30 2cmr n ILE 29 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 2cmr n TYR 30 N -0.86 0.00 -0.54 4.28 4.02 -1.25 -1.11 117.16 121.70 2cmr n TYR 30 Ca 0.10 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 58.05 2cmr n TYR 30 Cb 0.67 0.00 0.16 0.00 -0.02 0.00 0.00 39.34 40.15 2cmr n TYR 30 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 2cmr n HIS 31 N 14.00 0.47 -1.98 -0.72 8.25 -1.26 -0.60 115.22 133.38 2cmr n HIS 31 Ca 0.00 -0.69 -0.42 0.00 -0.26 0.00 0.00 57.72 56.35 2cmr n HIS 31 Cb 0.00 -0.14 -0.00 0.00 1.12 0.00 0.00 29.99 30.97 2cmr n HIS 31 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 2cmr n TRP 32 N -0.28 3.14 -3.75 4.41 5.03 -0.27 -2.02 117.44 123.70 2cmr n TRP 32 Ca 0.13 -2.89 -0.15 0.00 3.03 0.00 0.00 57.50 57.62 2cmr n TRP 32 Cb 0.58 -2.25 -0.15 0.00 -1.03 0.00 0.00 31.31 28.46 2cmr n TRP 32 CO 0.00 0.00 0.00 -1.17 -0.03 0.00 0.00 177.69 176.49 2cmr s LEU 33 N 0.79 0.84 0.03 -0.99 2.96 -1.26 -1.57 118.68 119.48 2cmr s LEU 33 Ca 0.46 0.17 0.08 0.00 -0.22 0.00 0.00 54.13 54.61 2cmr s LEU 33 Cb 0.13 0.14 -0.03 0.00 0.50 0.00 0.00 46.19 46.92 2cmr s LEU 33 CO -0.05 -0.15 -0.22 0.00 -1.32 0.00 0.00 176.35 174.62 2cmr s ALA 34 N 1.20 2.42 -0.06 5.97 0.00 -0.65 -0.39 121.76 130.25 2cmr s ALA 34 Ca -0.08 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 50.70 2cmr s ALA 34 Cb -0.12 -0.63 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 2cmr s ALA 34 CO -0.04 0.55 -0.11 -1.58 0.00 0.00 0.00 175.76 174.58 2cmr s TRP 35 N -0.83 2.81 0.14 0.00 0.52 -0.24 -0.82 118.94 120.52 2cmr s TRP 35 Ca 0.13 -0.08 0.10 0.00 0.02 0.00 0.00 56.10 56.27 2cmr s TRP 35 Cb -0.10 -1.67 -0.04 0.00 -1.15 0.00 0.00 33.47 30.51 2cmr s TRP 35 CO 0.03 0.25 -0.24 0.71 0.02 0.00 0.00 176.95 177.72 2cmr s TYR 36 N -0.76 2.13 -0.09 -1.98 2.02 0.98 -1.21 117.35 118.44 2cmr s TYR 36 Ca 0.12 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.43 2cmr s TYR 36 Cb -0.11 -1.13 -0.02 0.00 -0.40 0.00 0.00 41.96 40.30 2cmr s TYR 36 CO 0.01 0.33 -0.11 -1.14 -1.57 0.00 0.00 175.55 173.07 2cmr s GLN 37 N -2.18 2.97 -0.05 -0.62 0.74 -0.35 -0.83 119.66 119.33 2cmr s GLN 37 Ca 0.13 -0.64 0.00 0.00 0.05 0.00 0.00 55.36 54.91 2cmr s GLN 37 Cb -0.09 -2.57 0.02 0.00 1.10 0.00 0.00 33.01 31.47 2cmr s GLN 37 CO 0.06 0.46 -0.03 -1.14 -0.55 0.00 0.00 175.29 174.09 2cmr s GLN 38 N -0.29 0.79 0.16 1.67 0.74 -0.08 -0.55 119.66 122.09 2cmr s GLN 38 Ca 0.03 -0.05 -0.03 0.00 0.05 0.00 0.00 55.36 55.36 2cmr s GLN 38 Cb -0.13 -0.90 -0.05 0.00 1.10 0.00 0.00 33.01 33.03 2cmr s GLN 38 CO 0.03 -0.15 0.38 0.15 -0.55 0.00 0.00 175.29 175.14 2cmr s LYS 39 N 1.24 3.57 0.29 1.67 -0.14 -1.26 -1.39 119.74 123.72 2cmr s LYS 39 Ca -0.06 -0.20 -0.30 0.00 -1.36 0.00 0.00 55.97 54.05 2cmr s LYS 39 Cb -0.14 -2.85 -0.12 0.00 -1.68 0.00 0.00 37.83 33.05 2cmr s LYS 39 CO -0.02 0.44 1.62 -1.25 -0.76 0.00 0.00 175.35 175.38 2cmr s PRO 40 N -2.93 4.11 0.00 -1.68 0.04 -1.26 -2.23 135.00 131.05 2cmr s PRO 40 Ca 0.40 2.61 0.00 0.00 0.04 0.00 0.00 61.00 64.04 2cmr s PRO 40 Cb -0.12 -3.02 0.00 0.00 0.04 0.00 0.00 34.50 31.40 2cmr s PRO 40 CO 0.27 -0.66 0.00 0.41 0.04 0.00 0.00 177.00 177.06 2cmr n GLY 41 N 2.32 0.74 3.18 0.56 0.00 -1.26 -5.05 105.19 105.68 2cmr n GLY 41 Ca 0.09 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.95 2cmr n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cmr s LYS 42 N -0.61 0.87 0.74 1.61 1.02 -0.94 -5.14 119.74 117.29 2cmr s LYS 42 Ca 0.00 -1.11 -0.12 0.00 0.02 0.00 0.00 55.97 54.75 2cmr s LYS 42 Cb 0.00 -0.67 0.04 0.00 -0.52 0.00 0.00 37.83 36.68 2cmr s LYS 42 CO 0.00 0.12 1.11 0.00 -0.92 0.00 0.00 175.35 175.66 2cmr s ALA 43 N -2.07 2.25 0.85 5.17 0.00 -1.26 -4.60 121.76 122.10 2cmr s ALA 43 Ca 0.04 0.45 -0.11 0.00 0.00 0.00 0.00 51.96 52.34 2cmr s ALA 43 Cb -0.05 -3.32 0.11 0.00 0.00 0.00 0.00 23.12 19.85 2cmr s ALA 43 CO 0.01 -1.69 1.14 -2.14 0.00 0.00 0.00 175.76 173.09 2cmr s PRO 44 N -4.51 1.50 -0.08 0.00 0.02 -1.26 -4.65 135.00 126.02 2cmr s PRO 44 Ca 0.65 1.49 -0.00 0.00 0.02 0.00 0.00 61.00 63.16 2cmr s PRO 44 Cb -0.20 -1.79 0.03 0.00 0.02 0.00 0.00 34.50 32.56 2cmr s PRO 44 CO 0.50 -2.26 -0.04 0.21 -0.33 0.00 0.00 177.00 175.08 2cmr s LYS 45 N -4.59 0.98 0.16 5.54 2.20 0.28 -4.96 119.74 119.36 2cmr s LYS 45 Ca 0.67 -0.07 -0.32 0.00 -0.36 0.00 0.00 55.97 55.89 2cmr s LYS 45 Cb -0.22 -1.16 -0.11 0.00 -1.51 0.00 0.00 37.83 34.83 2cmr s LYS 45 CO 0.55 -0.23 1.69 -1.17 -0.36 0.00 0.00 175.35 175.82 2cmr s LEU 46 N 1.63 4.38 -0.12 5.43 2.96 -1.26 -1.21 118.68 130.48 2cmr s LEU 46 Ca 0.01 2.72 -0.01 0.00 -0.22 0.00 0.00 54.13 56.64 2cmr s LEU 46 Cb -0.13 -3.59 -0.07 0.00 0.50 0.00 0.00 46.19 42.90 2cmr s LEU 46 CO -0.05 -0.92 -0.12 0.18 -1.32 0.00 0.00 176.35 174.12 2cmr n LEU 47 N 4.50 2.55 -3.94 -0.68 4.77 -0.35 -4.77 117.00 119.08 2cmr n LEU 47 Ca 0.16 -0.02 -0.18 0.00 -0.03 0.00 0.00 56.01 55.94 2cmr n LEU 47 Cb 0.37 -0.40 -0.15 0.00 -2.33 0.00 0.00 43.42 40.91 2cmr n LEU 47 CO 0.63 0.61 -0.41 -0.63 -1.33 0.00 0.00 177.39 176.26 2cmr s ILE 48 N -2.24 0.53 0.14 -0.08 1.01 -1.09 -0.96 121.20 118.52 2cmr s ILE 48 Ca -0.16 -0.22 0.07 0.00 0.00 0.00 0.00 60.65 60.34 2cmr s ILE 48 Cb 0.05 -0.50 -0.04 0.00 0.01 0.00 0.00 42.46 41.98 2cmr s ILE 48 CO 0.26 0.18 -0.15 -0.72 0.00 0.00 0.00 174.94 174.51 2cmr s TYR 49 N 0.31 1.55 -1.52 3.97 1.13 -0.50 -1.08 117.35 121.21 2cmr s TYR 49 Ca -0.04 -0.54 -0.09 0.00 -1.41 0.00 0.00 57.07 54.99 2cmr s TYR 49 Cb -0.08 -0.79 0.07 0.00 -1.10 0.00 0.00 41.96 40.06 2cmr s TYR 49 CO -0.00 0.21 0.74 1.63 -2.51 0.00 0.00 175.55 175.62 2cmr n LYS 50 N 0.39 -4.19 0.00 -3.49 5.02 -1.10 -1.49 118.16 113.29 2cmr n LYS 50 Ca -0.14 0.49 0.00 0.00 -2.02 0.00 0.00 58.31 56.63 2cmr n LYS 50 Cb 0.57 -5.08 0.00 0.00 -0.02 0.00 0.00 35.03 30.50 2cmr n LYS 50 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2cmr n ALA 51 N -4.47 0.00 -0.99 7.82 0.00 0.47 -4.18 120.51 119.16 2cmr n ALA 51 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2cmr n ALA 51 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 2cmr n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2cmr n SER 52 N 0.87 0.01 -4.76 0.00 3.41 -1.17 -2.81 113.62 109.16 2cmr n SER 52 Ca 0.00 -1.00 -0.38 0.00 -0.26 0.00 0.00 58.87 57.23 2cmr n SER 52 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 2cmr n SER 52 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2cmr s SER 53 N -0.00 6.75 -0.03 4.04 0.01 -0.56 -4.50 113.70 119.41 2cmr s SER 53 Ca 0.00 0.89 -0.30 0.00 1.31 0.00 0.00 55.95 57.85 2cmr s SER 53 Cb 0.00 -2.28 -0.03 0.00 0.21 0.00 0.00 66.02 63.92 2cmr s SER 53 CO 0.00 0.12 1.09 -0.76 0.41 0.00 0.00 173.24 174.10 2cmr s LEU 54 N -0.03 4.31 0.70 2.44 1.43 -1.26 -1.41 118.68 124.85 2cmr s LEU 54 Ca 0.25 1.73 -0.12 0.00 -1.03 0.00 0.00 54.13 54.97 2cmr s LEU 54 Cb -0.16 -3.56 0.01 0.00 0.03 0.00 0.00 46.19 42.51 2cmr s LEU 54 CO 0.12 -0.44 1.07 0.00 0.23 0.00 0.00 176.35 177.32 2cmr s ALA 55 N 1.63 2.59 0.22 4.21 0.00 -0.14 -4.93 121.76 125.34 2cmr s ALA 55 Ca 0.53 0.19 -0.32 0.00 0.00 0.00 0.00 51.96 52.37 2cmr s ALA 55 Cb -0.23 -3.21 -0.13 0.00 0.00 0.00 0.00 23.12 19.55 2cmr s ALA 55 CO 0.24 -1.28 1.51 -1.13 0.00 0.00 0.00 175.76 175.10 2cmr n SER 56 N -3.02 3.11 0.00 0.00 3.41 -1.26 -1.74 113.62 114.11 2cmr n SER 56 Ca 0.08 1.12 0.00 0.00 -0.26 0.00 0.00 58.87 59.81 2cmr n SER 56 Cb 0.53 -1.46 0.00 0.00 -0.26 0.00 0.00 64.21 63.02 2cmr n SER 56 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cmr n GLY 57 N 2.70 0.70 3.62 5.00 0.00 -1.26 -5.03 105.19 110.91 2cmr n GLY 57 Ca 0.13 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 2cmr n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cmr s ALA 58 N -2.50 3.50 0.56 4.61 0.00 -0.71 -5.09 121.76 122.13 2cmr s ALA 58 Ca 0.00 -0.90 -0.18 0.00 0.00 0.00 0.00 51.96 50.87 2cmr s ALA 58 Cb 0.00 -2.21 -0.05 0.00 0.00 0.00 0.00 23.12 20.86 2cmr s ALA 58 CO 0.00 -0.18 1.11 -1.25 0.00 0.00 0.00 175.76 175.44 2cmr s PRO 59 N 1.03 3.31 0.07 0.00 0.04 -1.26 -4.82 135.00 133.37 2cmr s PRO 59 Ca 0.06 1.50 0.12 0.00 0.04 0.00 0.00 61.00 62.72 2cmr s PRO 59 Cb -0.14 -2.01 0.52 0.00 0.04 0.00 0.00 34.50 32.91 2cmr s PRO 59 CO 0.04 -0.86 1.36 -1.13 0.04 0.00 0.00 177.00 176.45 2cmr n SER 60 N -1.52 0.15 0.12 6.66 3.41 -1.26 -1.78 113.62 119.41 2cmr n SER 60 Ca 0.11 0.55 0.12 0.00 -0.26 0.00 0.00 58.87 59.39 2cmr n SER 60 Cb 0.51 -0.58 0.48 0.00 -0.26 0.00 0.00 64.21 64.36 2cmr n SER 60 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2cmr n ARG 61 N -1.69 0.18 -3.27 4.33 1.85 -1.26 -4.62 116.66 112.18 2cmr n ARG 61 Ca 0.02 0.41 -0.37 0.00 -1.00 0.00 0.00 57.85 56.90 2cmr n ARG 61 Cb 0.10 -1.84 -0.06 0.00 -1.05 0.00 0.00 32.46 29.61 2cmr n ARG 61 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 2cmr s PHE 62 N -3.29 3.73 0.05 2.89 0.08 -0.73 -1.79 117.98 118.93 2cmr s PHE 62 Ca 0.04 1.23 -0.14 0.00 0.12 0.00 0.00 56.93 58.19 2cmr s PHE 62 Cb 0.09 -2.48 0.02 0.00 -0.57 0.00 0.00 43.02 40.09 2cmr s PHE 62 CO 0.38 0.51 0.32 -1.54 -0.10 0.00 0.00 175.22 174.80 2cmr s SER 63 N -1.35 -0.15 0.12 1.36 1.04 -0.62 -5.00 113.70 109.11 2cmr s SER 63 Ca 0.33 -0.19 0.05 0.00 0.48 0.00 0.00 55.95 56.63 2cmr s SER 63 Cb -0.18 0.38 -0.04 0.00 0.10 0.00 0.00 66.02 66.28 2cmr s SER 63 CO 0.19 -0.64 -0.12 -0.83 0.98 0.00 0.00 173.24 172.82 2cmr s GLY 64 N -2.14 1.01 0.09 7.32 0.00 -1.26 -0.79 107.32 111.55 2cmr s GLY 64 Ca -0.04 -1.30 -0.15 0.00 0.00 0.00 0.00 44.72 43.23 2cmr s GLY 64 CO -0.04 -1.37 0.35 -0.45 0.00 0.00 0.00 173.10 171.59 2cmr s SER 65 N -2.59 -0.16 0.00 1.64 0.15 -0.23 -4.33 113.70 108.18 2cmr s SER 65 Ca 0.09 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.46 2cmr s SER 65 Cb -0.03 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 2cmr s SER 65 CO 0.02 -0.75 0.00 0.61 1.20 0.00 0.00 173.24 174.32 2cmr n GLY 66 N 0.10 1.75 3.58 9.45 0.00 -1.26 -0.45 105.19 118.37 2cmr n GLY 66 Ca -0.17 -2.22 -0.10 0.00 0.00 0.00 0.00 46.02 43.52 2cmr n GLY 66 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cmr s SER 67 N 0.00 -0.39 0.01 1.61 0.15 -1.02 -4.84 113.70 109.22 2cmr s SER 67 Ca 0.00 0.47 0.00 0.00 0.70 0.00 0.00 55.95 57.12 2cmr s SER 67 Cb 0.00 0.38 0.00 0.00 -1.71 0.00 0.00 66.02 64.69 2cmr s SER 67 CO 0.00 -0.32 0.00 0.61 1.20 0.00 0.00 173.24 174.73 2cmr n GLY 68 N 0.93 2.02 0.00 9.45 0.00 0.23 -3.21 105.19 114.62 2cmr n GLY 68 Ca -0.11 -0.15 0.02 0.00 0.00 0.00 0.00 46.02 45.78 2cmr n GLY 68 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2cmr n THR 69 N 0.00 0.00 -4.52 2.61 -1.04 -1.26 -0.72 114.28 109.34 2cmr n THR 69 Ca 0.00 -0.14 -0.31 0.00 -2.04 0.00 0.00 64.05 61.55 2cmr n THR 69 Cb 0.00 0.53 -0.17 0.00 -1.82 0.00 0.00 70.33 68.87 2cmr n THR 69 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 2cmr s ASP 70 N -2.21 2.89 0.08 8.00 1.01 -1.20 -1.35 116.67 123.89 2cmr s ASP 70 Ca -0.01 -0.55 0.02 0.00 0.71 0.00 0.00 52.55 52.72 2cmr s ASP 70 Cb 0.02 -1.33 -0.03 0.00 1.01 0.00 0.00 42.92 42.59 2cmr s ASP 70 CO 0.15 0.05 -0.08 -0.36 0.21 0.00 0.00 175.17 175.14 2cmr s PHE 71 N 0.94 0.84 -0.01 4.23 0.08 -0.13 -2.44 117.98 121.50 2cmr s PHE 71 Ca -0.05 -0.73 -0.02 0.00 0.12 0.00 0.00 56.93 56.26 2cmr s PHE 71 Cb -0.15 -0.49 -0.00 0.00 -0.57 0.00 0.00 43.02 41.81 2cmr s PHE 71 CO -0.03 -0.10 0.03 0.99 -0.10 0.00 0.00 175.22 176.01 2cmr s THR 72 N -2.63 0.04 -0.11 0.64 2.01 0.41 -1.11 115.64 114.88 2cmr s THR 72 Ca 0.03 -0.31 0.03 0.00 0.31 0.00 0.00 61.69 61.76 2cmr s THR 72 Cb -0.01 -0.16 -0.00 0.00 0.01 0.00 0.00 72.50 72.34 2cmr s THR 72 CO -0.02 -0.17 -0.22 -0.22 -0.69 0.00 0.00 174.62 173.29 2cmr s LEU 73 N -0.51 2.16 -0.05 4.42 2.96 -0.80 -1.07 118.68 125.79 2cmr s LEU 73 Ca -0.06 -0.54 0.04 0.00 -0.22 0.00 0.00 54.13 53.36 2cmr s LEU 73 Cb -0.04 -1.44 -0.00 0.00 0.50 0.00 0.00 46.19 45.21 2cmr s LEU 73 CO -0.00 0.15 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.10 2cmr s THR 74 N 0.41 1.60 -0.23 3.68 2.01 0.03 -1.21 115.64 121.93 2cmr s THR 74 Ca -0.16 -0.80 -0.03 0.00 0.31 0.00 0.00 61.69 61.00 2cmr s THR 74 Cb -0.17 -1.38 0.00 0.00 0.01 0.00 0.00 72.50 70.96 2cmr s THR 74 CO 0.07 0.46 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.78 2cmr s ILE 75 N 0.09 3.25 0.29 1.82 1.01 -0.27 -1.59 121.20 125.80 2cmr s ILE 75 Ca -0.07 -0.62 0.08 0.00 0.00 0.00 0.00 60.65 60.05 2cmr s ILE 75 Cb -0.13 -2.51 0.02 0.00 0.01 0.00 0.00 42.46 39.84 2cmr s ILE 75 CO 0.03 0.37 1.68 0.77 0.00 0.00 0.00 174.94 177.79 2cmr h SER 76 N 8.09 0.14 -1.71 3.58 4.64 -1.64 -1.67 113.55 124.99 2cmr h SER 76 Ca -0.40 -0.07 -0.04 0.00 -0.47 0.00 0.00 61.79 60.82 2cmr h SER 76 Cb 1.15 -0.04 -0.25 0.00 -0.31 0.00 0.00 62.40 62.95 2cmr h SER 76 CO 0.60 0.61 -0.35 -0.55 -0.87 0.00 0.00 176.83 176.27 2cmr s SER 77 N -6.89 -0.54 0.22 4.97 0.15 -1.25 -3.79 113.70 106.58 2cmr s SER 77 Ca -0.03 0.72 -0.30 0.00 0.70 0.00 0.00 55.95 57.04 2cmr s SER 77 Cb 0.13 1.64 -0.09 0.00 -1.71 0.00 0.00 66.02 65.99 2cmr s SER 77 CO 0.77 -0.27 1.27 -0.76 1.20 0.00 0.00 173.24 175.45 2cmr s LEU 78 N 2.70 4.43 0.24 3.45 1.43 0.36 -4.78 118.68 126.52 2cmr s LEU 78 Ca 0.11 2.39 0.10 0.00 -1.03 0.00 0.00 54.13 55.70 2cmr s LEU 78 Cb -0.14 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.42 2cmr s LEU 78 CO -0.17 -0.47 -0.07 -1.10 0.23 0.00 0.00 176.35 174.77 2cmr s GLN 79 N -0.44 2.11 0.37 1.70 -0.21 -1.26 -0.51 119.66 121.42 2cmr s GLN 79 Ca 0.54 -1.43 0.18 0.00 0.02 0.00 0.00 55.36 54.68 2cmr s GLN 79 Cb -0.36 -2.10 1.15 0.00 1.00 0.00 0.00 33.01 32.71 2cmr s GLN 79 CO 0.40 0.38 1.68 -1.35 -2.12 0.00 0.00 175.29 174.28 2cmr h PRO 80 N 2.29 0.29 0.00 2.91 0.11 -1.99 -0.27 132.00 135.34 2cmr h PRO 80 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2cmr h PRO 80 Cb 1.24 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2cmr h PRO 80 CO 0.58 0.19 0.00 0.22 -0.21 0.00 0.00 178.00 178.78 2cmr h ASP 81 N 0.30 0.00 0.86 -2.05 3.58 -2.02 -3.04 116.42 114.05 2cmr h ASP 81 Ca 0.72 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.17 2cmr h ASP 81 Cb 1.81 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.86 2cmr h ASP 81 CO -0.50 0.00 -0.17 0.47 -2.88 0.00 0.00 179.24 176.16 2cmr n ASP 82 N -2.57 0.20 -4.62 2.28 8.00 -0.11 -4.76 116.55 114.96 2cmr n ASP 82 Ca 0.01 0.26 -0.43 0.00 0.71 0.00 0.00 54.79 55.34 2cmr n ASP 82 Cb 0.24 -0.26 -0.02 0.00 -0.02 0.00 0.00 41.12 41.05 2cmr n ASP 82 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2cmr s PHE 83 N -3.01 2.99 0.09 1.24 0.40 -1.15 -4.90 117.98 113.64 2cmr s PHE 83 Ca 0.13 0.96 -0.26 0.00 -0.60 0.00 0.00 56.93 57.16 2cmr s PHE 83 Cb 0.18 -4.03 0.09 0.00 0.51 0.00 0.00 43.02 39.77 2cmr s PHE 83 CO 0.59 -1.00 1.15 0.00 0.70 0.00 0.00 175.22 176.66 2cmr s ALA 84 N 4.01 -1.98 -0.11 5.36 0.00 -1.21 -4.96 121.76 122.88 2cmr s ALA 84 Ca 0.46 -0.01 -0.15 0.00 0.00 0.00 0.00 51.96 52.26 2cmr s ALA 84 Cb -0.10 0.72 -0.05 0.00 0.00 0.00 0.00 23.12 23.70 2cmr s ALA 84 CO 0.23 -1.09 0.38 0.99 0.00 0.00 0.00 175.76 176.27 2cmr s THR 85 N -2.28 5.22 -0.16 0.00 2.01 -0.49 -1.32 115.64 118.62 2cmr s THR 85 Ca 0.22 0.74 -0.05 0.00 0.31 0.00 0.00 61.69 62.90 2cmr s THR 85 Cb -0.01 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 2cmr s THR 85 CO 0.02 0.41 0.01 -0.31 -0.69 0.00 0.00 174.62 174.06 2cmr s TYR 86 N 0.19 3.15 -0.05 4.92 1.51 -0.36 -0.90 117.35 125.81 2cmr s TYR 86 Ca 0.21 -0.08 0.04 0.00 -1.01 0.00 0.00 57.07 56.23 2cmr s TYR 86 Cb -0.14 -2.00 -0.02 0.00 -0.11 0.00 0.00 41.96 39.68 2cmr s TYR 86 CO 0.08 0.10 -0.16 0.71 -1.11 0.00 0.00 175.55 175.16 2cmr s TYR 87 N 0.27 2.64 0.32 2.71 2.02 -0.01 -1.21 117.35 124.09 2cmr s TYR 87 Ca 0.01 -0.28 -0.03 0.00 -0.37 0.00 0.00 57.07 56.39 2cmr s TYR 87 Cb -0.13 -1.63 -0.04 0.00 -0.40 0.00 0.00 41.96 39.75 2cmr s TYR 87 CO 0.02 0.09 0.57 0.00 -1.57 0.00 0.00 175.55 174.65 2cmr s GLN 89 N -3.88 0.18 0.08 0.00 0.74 0.00 -1.13 119.66 115.65 2cmr s GLN 89 Ca 0.43 0.51 -0.16 0.00 0.05 0.00 0.00 55.36 56.20 2cmr s GLN 89 Cb -0.10 -0.13 -0.06 0.00 1.10 0.00 0.00 33.01 33.81 2cmr s GLN 89 CO 0.33 -0.17 0.51 1.14 -0.55 0.00 0.00 175.29 176.55 2cmr s GLN 90 N 1.32 4.02 -0.18 1.67 1.03 -0.86 -1.63 119.66 125.03 2cmr s GLN 90 Ca -0.09 0.53 0.13 0.00 0.04 0.00 0.00 55.36 55.97 2cmr s GLN 90 Cb -0.11 -3.12 0.40 0.00 0.03 0.00 0.00 33.01 30.22 2cmr s GLN 90 CO -0.08 0.60 1.21 0.66 -2.54 0.00 0.00 175.29 175.13 2cmr n TYR 91 N 1.39 0.00 -0.06 9.60 4.02 -0.61 -3.92 117.16 127.58 2cmr n TYR 91 Ca -0.10 -1.33 -0.13 0.00 -0.01 0.00 0.00 57.90 56.34 2cmr n TYR 91 Cb 0.52 -0.23 -0.12 0.00 -0.02 0.00 0.00 39.34 39.49 2cmr n TYR 91 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 2cmr h SER 92 N 0.90 -0.01 -5.05 7.72 0.87 -1.86 -3.49 113.55 112.64 2cmr h SER 92 Ca -0.02 -0.86 -0.12 0.00 -1.23 0.00 0.00 61.79 59.56 2cmr h SER 92 Cb 1.10 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 62.88 2cmr h SER 92 CO 0.01 0.89 -0.41 0.20 -0.53 0.00 0.00 176.83 177.00 2cmr s ASN 93 N -6.10 0.03 0.29 6.23 0.01 -1.26 -5.15 114.94 108.99 2cmr s ASN 93 Ca -0.17 -0.32 -0.22 0.00 -0.71 0.00 0.00 52.86 51.43 2cmr s ASN 93 Cb -0.02 0.27 -0.09 0.00 0.41 0.00 0.00 41.25 41.82 2cmr s ASN 93 CO 0.64 -0.52 0.84 -0.31 -1.51 0.00 0.00 177.10 176.24 2cmr s TYR 94 N -2.30 3.62 0.46 2.20 1.51 -1.26 -3.85 117.35 117.73 2cmr s TYR 94 Ca -0.07 1.56 -0.21 0.00 -1.01 0.00 0.00 57.07 57.34 2cmr s TYR 94 Cb -0.02 -2.76 -0.09 0.00 -0.11 0.00 0.00 41.96 38.97 2cmr s TYR 94 CO -0.02 0.22 1.02 -1.25 -1.11 0.00 0.00 175.55 174.41 2cmr s PRO 95 N -2.19 3.95 0.58 -1.71 0.04 -1.26 -4.98 135.00 129.43 2cmr s PRO 95 Ca 0.49 1.31 -0.17 0.00 0.04 0.00 0.00 61.00 62.66 2cmr s PRO 95 Cb -0.16 -2.16 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 2cmr s PRO 95 CO 0.21 -0.30 1.10 -0.51 0.04 0.00 0.00 177.00 177.55 2cmr s LEU 96 N -3.32 3.60 -0.08 -3.56 1.43 -1.25 -4.70 118.68 110.80 2cmr s LEU 96 Ca 0.65 2.04 -0.07 0.00 -1.03 0.00 0.00 54.13 55.72 2cmr s LEU 96 Cb -0.15 -4.56 0.02 0.00 0.03 0.00 0.00 46.19 41.53 2cmr s LEU 96 CO 0.19 -1.31 0.20 0.42 0.23 0.00 0.00 176.35 176.08 2cmr s THR 97 N -2.08 -0.01 0.15 5.49 -4.23 -1.25 -5.04 115.64 108.67 2cmr s THR 97 Ca 0.69 0.02 -0.02 0.00 -1.18 0.00 0.00 61.69 61.20 2cmr s THR 97 Cb -0.21 -0.29 -0.05 0.00 1.34 0.00 0.00 72.50 73.29 2cmr s THR 97 CO 0.33 0.01 0.36 -0.36 -0.54 0.00 0.00 174.62 174.41 2cmr s PHE 98 N 0.28 3.48 0.88 3.99 0.40 -1.26 -2.04 117.98 123.72 2cmr s PHE 98 Ca -0.01 0.42 -0.12 0.00 -0.60 0.00 0.00 56.93 56.62 2cmr s PHE 98 Cb -0.03 -1.91 0.12 0.00 0.51 0.00 0.00 43.02 41.72 2cmr s PHE 98 CO -0.01 0.44 1.09 0.20 0.70 0.00 0.00 175.22 177.64 2cmr s GLY 99 N -2.73 1.62 0.00 4.36 0.00 -0.28 -4.54 107.32 105.74 2cmr s GLY 99 Ca 0.39 -0.11 0.20 0.00 0.00 0.00 0.00 44.72 45.20 2cmr s GLY 99 CO 0.27 0.37 1.63 0.61 0.00 0.00 0.00 173.10 175.98 2cmr n GLY 100 N -1.32 -1.05 0.00 0.20 0.00 -1.26 -4.72 105.19 97.04 2cmr n GLY 100 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2cmr n GLY 100 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cmr n GLY 101 N 0.46 1.27 2.82 -0.02 0.00 -1.26 -5.02 105.19 103.45 2cmr n GLY 101 Ca 0.07 -1.67 -0.27 0.00 0.00 0.00 0.00 46.02 44.15 2cmr n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cmr s THR 102 N -2.43 0.82 -0.11 2.61 2.01 -0.35 -4.61 115.64 113.58 2cmr s THR 102 Ca 0.00 -0.54 -0.23 0.00 0.31 0.00 0.00 61.69 61.23 2cmr s THR 102 Cb 0.00 -1.12 -0.03 0.00 0.01 0.00 0.00 72.50 71.36 2cmr s THR 102 CO 0.00 0.01 0.71 -0.75 -0.69 0.00 0.00 174.62 173.90 2cmr s LYS 103 N 1.75 4.37 -0.22 4.92 2.20 -0.66 -1.22 119.74 130.87 2cmr s LYS 103 Ca 0.00 0.85 -0.08 0.00 -0.36 0.00 0.00 55.97 56.38 2cmr s LYS 103 Cb -0.16 -3.49 -0.04 0.00 -1.51 0.00 0.00 37.83 32.63 2cmr s LYS 103 CO -0.07 -0.06 0.08 -1.17 -0.36 0.00 0.00 175.35 173.77 2cmr s LEU 104 N 1.24 3.69 0.08 5.43 2.96 -0.43 -1.53 118.68 130.12 2cmr s LEU 104 Ca 0.36 -0.05 0.10 0.00 -0.22 0.00 0.00 54.13 54.32 2cmr s LEU 104 Cb -0.17 -1.97 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 2cmr s LEU 104 CO 0.15 0.06 -0.26 -0.70 -1.32 0.00 0.00 176.35 174.29 2cmr s GLU 105 N 1.05 1.67 -0.08 1.98 -6.30 -0.07 -3.29 118.70 113.66 2cmr s GLU 105 Ca 0.05 -1.19 -0.28 0.00 -2.50 0.00 0.00 54.97 51.04 2cmr s GLU 105 Cb -0.14 -1.97 -0.02 0.00 0.00 0.00 0.00 34.13 32.00 2cmr s GLU 105 CO 0.03 0.49 0.93 0.42 0.02 0.00 0.00 175.26 177.15 2cmr s ILE 106 N -0.93 4.86 -0.01 -3.70 1.01 -1.26 -1.69 121.20 119.48 2cmr s ILE 106 Ca 0.13 1.90 -0.19 0.00 0.00 0.00 0.00 60.65 62.49 2cmr s ILE 106 Cb -0.10 -4.25 -0.05 0.00 0.01 0.00 0.00 42.46 38.07 2cmr s ILE 106 CO 0.04 0.08 0.53 -0.75 0.00 0.00 0.00 174.94 174.85 2cmr s LYS 106 N 1.60 4.23 0.23 2.79 2.20 -0.19 -4.82 119.74 125.78 2cmr s LYS 106 Ca 0.46 0.62 -0.03 0.00 -0.36 0.00 0.00 55.97 56.66 2cmr s LYS 106 Cb -0.19 -3.32 0.01 0.00 -1.51 0.00 0.00 37.83 32.83 2cmr s LYS 106 CO 0.20 0.44 0.36 2.89 -0.36 0.00 0.00 175.35 178.88 2cmr n ARG 107 N 2.54 0.52 -1.51 4.03 -4.01 -1.26 -4.43 116.66 112.55 2cmr n ARG 107 Ca -0.09 -1.73 -0.34 0.00 -1.04 0.00 0.00 57.85 54.65 2cmr n ARG 107 Cb 0.51 1.76 0.08 0.00 -3.04 0.00 0.00 32.46 31.78 2cmr n ARG 107 CO 0.00 0.00 0.00 0.95 -3.04 0.00 0.00 177.63 175.54 2cmr s THR 108 N -2.62 2.43 0.24 8.89 -4.23 -1.26 -4.97 115.64 114.13 2cmr s THR 108 Ca 0.17 0.22 -0.31 0.00 -1.18 0.00 0.00 61.69 60.58 2cmr s THR 108 Cb -0.01 -2.80 -0.12 0.00 1.34 0.00 0.00 72.50 70.91 2cmr s THR 108 CO 0.12 -0.11 1.66 0.52 -0.54 0.00 0.00 174.62 176.27 2cmr n VAL 109 N -2.60 0.46 -4.45 2.29 0.31 -1.26 -4.75 118.33 108.33 2cmr n VAL 109 Ca 0.13 -0.12 -0.21 0.00 -0.01 0.00 0.00 64.34 64.13 2cmr n VAL 109 Cb 0.50 -1.94 -0.16 0.00 -0.91 0.00 0.00 33.84 31.33 2cmr n VAL 109 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2cmr s ALA 110 N 0.62 0.95 0.26 3.52 0.00 -0.73 -4.93 121.76 121.45 2cmr s ALA 110 Ca 0.70 -0.38 -0.29 0.00 0.00 0.00 0.00 51.96 51.99 2cmr s ALA 110 Cb -0.51 -0.34 -0.09 0.00 0.00 0.00 0.00 23.12 22.17 2cmr s ALA 110 CO 0.40 0.16 0.95 0.00 0.00 0.00 0.00 175.76 177.27 2cmr s ALA 111 N 0.17 3.32 0.18 0.00 0.00 -1.26 -2.03 121.76 122.14 2cmr s ALA 111 Ca -0.03 0.62 -0.31 0.00 0.00 0.00 0.00 51.96 52.24 2cmr s ALA 111 Cb -0.09 -3.21 -0.09 0.00 0.00 0.00 0.00 23.12 19.73 2cmr s ALA 111 CO 0.01 0.18 1.41 -1.25 0.00 0.00 0.00 175.76 176.11 2cmr s PRO 112 N -1.33 4.31 0.07 0.00 0.04 -1.26 -4.59 135.00 132.24 2cmr s PRO 112 Ca 0.43 2.18 -0.31 0.00 0.04 0.00 0.00 61.00 63.34 2cmr s PRO 112 Cb -0.25 -3.18 -0.06 0.00 0.04 0.00 0.00 34.50 31.04 2cmr s PRO 112 CO 0.31 -0.41 1.29 -1.12 0.04 0.00 0.00 177.00 177.11 2cmr s SER 113 N 0.70 6.96 -0.09 6.66 0.01 -0.98 -4.82 113.70 122.15 2cmr s SER 113 Ca 0.62 2.13 0.03 0.00 1.31 0.00 0.00 55.95 60.04 2cmr s SER 113 Cb -0.39 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.27 2cmr s SER 113 CO 0.36 -0.56 -0.18 0.54 0.41 0.00 0.00 173.24 173.81 2cmr s VAL 114 N 1.21 1.65 0.04 3.43 0.11 -1.26 0.18 120.40 125.77 2cmr s VAL 114 Ca 0.61 -0.77 0.06 0.00 -2.93 0.00 0.00 61.98 58.95 2cmr s VAL 114 Cb -0.32 -1.46 -0.02 0.00 -1.53 0.00 0.00 36.38 33.04 2cmr s VAL 114 CO 0.29 0.47 -0.18 -0.36 -3.33 0.00 0.00 175.10 172.00 2cmr s PHE 115 N 0.59 1.53 0.06 1.54 0.40 0.12 -4.95 117.98 117.28 2cmr s PHE 115 Ca -0.15 -0.36 0.07 0.00 -0.60 0.00 0.00 56.93 55.89 2cmr s PHE 115 Cb -0.17 -0.91 -0.04 0.00 0.51 0.00 0.00 43.02 42.42 2cmr s PHE 115 CO 0.05 0.07 -0.15 -1.50 0.70 0.00 0.00 175.22 174.38 2cmr s ILE 116 N -0.82 3.02 -0.08 0.64 2.07 -1.26 -0.25 121.20 124.51 2cmr s ILE 116 Ca 0.05 -1.21 -0.00 0.00 -1.41 0.00 0.00 60.65 58.08 2cmr s ILE 116 Cb -0.08 -2.33 0.02 0.00 0.13 0.00 0.00 42.46 40.20 2cmr s ILE 116 CO 0.02 0.26 -0.05 -0.36 -1.91 0.00 0.00 174.94 172.89 2cmr s PHE 117 N -1.03 1.09 0.60 3.50 0.08 0.07 -5.00 117.98 117.29 2cmr s PHE 117 Ca 0.17 -0.44 -0.13 0.00 0.12 0.00 0.00 56.93 56.64 2cmr s PHE 117 Cb -0.11 -0.98 -0.04 0.00 -0.57 0.00 0.00 43.02 41.32 2cmr s PHE 117 CO 0.08 -0.38 1.03 -1.25 -0.10 0.00 0.00 175.22 174.60 2cmr s PRO 118 N 1.56 3.51 0.34 0.24 0.04 -1.26 -1.69 135.00 137.73 2cmr s PRO 118 Ca 0.00 0.93 -0.27 0.00 0.04 0.00 0.00 61.00 61.71 2cmr s PRO 118 Cb -0.13 -2.07 -0.13 0.00 0.04 0.00 0.00 34.50 32.21 2cmr s PRO 118 CO -0.05 -0.64 1.01 -2.30 0.04 0.00 0.00 177.00 175.06 2cmr n PRO 119 N -2.37 1.38 -2.24 0.56 -0.02 -1.20 -4.86 135.00 126.25 2cmr n PRO 119 Ca 0.07 0.49 -0.34 0.00 -2.02 0.00 0.00 63.50 61.70 2cmr n PRO 119 Cb 0.54 -1.92 -0.00 0.00 -0.02 0.00 0.00 33.50 32.09 2cmr n PRO 119 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2cmr s SER 120 N -0.61 5.91 0.27 2.55 1.04 -1.26 -4.96 113.70 116.64 2cmr s SER 120 Ca 0.60 1.95 -0.01 0.00 0.48 0.00 0.00 55.95 58.97 2cmr s SER 120 Cb -0.64 -2.55 0.38 0.00 0.10 0.00 0.00 66.02 63.31 2cmr s SER 120 CO 0.59 -1.08 1.77 0.44 0.98 0.00 0.00 173.24 175.95 2cmr h ASP 121 N 0.96 0.69 -0.13 7.02 3.32 -2.00 -2.70 116.42 123.58 2cmr h ASP 121 Ca -0.48 -0.17 0.02 0.00 0.02 0.00 0.00 57.03 56.42 2cmr h ASP 121 Cb 1.23 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 40.59 2cmr h ASP 121 CO 0.58 0.78 0.09 -0.08 -1.72 0.00 0.00 179.24 178.88 2cmr h GLU 122 N 0.68 0.09 0.14 3.56 4.81 -2.00 -2.48 114.58 119.37 2cmr h GLU 122 Ca 0.13 -0.01 -0.30 0.00 -0.13 0.00 0.00 59.36 59.06 2cmr h GLU 122 Cb 0.45 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.81 2cmr h GLU 122 CO 0.02 0.06 -1.44 0.37 -0.73 0.00 0.00 179.01 177.29 2cmr h GLN 123 N 0.09 0.29 -0.15 1.92 4.15 -1.80 -3.31 115.11 116.31 2cmr h GLN 123 Ca 0.06 -0.49 -0.06 0.00 0.77 0.00 0.00 58.65 58.93 2cmr h GLN 123 Cb 0.11 0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 2cmr h GLN 123 CO -0.01 1.18 -0.16 -0.07 -1.93 0.00 0.00 178.83 177.84 2cmr h LEU 124 N 0.08 0.23 -0.97 -2.39 3.38 -1.29 -2.31 115.31 112.03 2cmr h LEU 124 Ca -0.21 -0.05 0.27 0.00 0.09 0.00 0.00 57.88 57.98 2cmr h LEU 124 Cb 2.02 -0.06 -0.18 0.00 0.09 0.00 0.00 40.66 42.53 2cmr h LEU 124 CO 0.19 0.41 0.05 0.11 0.09 0.00 0.00 178.44 179.29 2cmr h LYS 125 N 0.23 0.02 -0.14 1.13 1.79 -1.54 -2.98 116.57 115.07 2cmr h LYS 125 Ca 0.04 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 2cmr h LYS 125 Cb 0.43 -0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 2cmr h LYS 125 CO 0.03 0.01 0.00 -1.13 -1.08 0.00 0.00 179.45 177.28 2cmr n SER 126 N -5.47 3.14 0.00 0.86 3.41 -0.87 -4.95 113.62 109.74 2cmr n SER 126 Ca 0.23 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.85 2cmr n SER 126 Cb 0.76 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.63 2cmr n SER 126 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2cmr n GLY 127 N 1.40 0.98 2.98 5.00 0.00 -1.13 -5.06 105.19 109.36 2cmr n GLY 127 Ca 0.16 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.01 2cmr n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cmr s THR 128 N -2.00 0.54 -0.20 2.61 2.01 -1.25 -1.26 115.64 116.09 2cmr s THR 128 Ca 0.00 -0.28 -0.04 0.00 0.31 0.00 0.00 61.69 61.68 2cmr s THR 128 Cb 0.00 -0.46 -0.02 0.00 0.01 0.00 0.00 72.50 72.03 2cmr s THR 128 CO 0.00 0.16 -0.03 0.00 -0.69 0.00 0.00 174.62 174.06 2cmr s ALA 129 N -0.07 2.90 -0.36 7.40 0.00 0.12 -3.53 121.76 128.22 2cmr s ALA 129 Ca 0.01 -1.05 -0.10 0.00 0.00 0.00 0.00 51.96 50.82 2cmr s ALA 129 Cb -0.04 -1.69 0.02 0.00 0.00 0.00 0.00 23.12 21.41 2cmr s ALA 129 CO -0.00 -0.23 0.18 -1.12 0.00 0.00 0.00 175.76 174.59 2cmr s SER 130 N 1.14 5.64 -0.22 0.00 0.01 -1.26 -1.95 113.70 117.07 2cmr s SER 130 Ca 0.02 -0.93 -0.15 0.00 1.31 0.00 0.00 55.95 56.20 2cmr s SER 130 Cb -0.15 -2.00 -0.04 0.00 0.21 0.00 0.00 66.02 64.05 2cmr s SER 130 CO 0.00 -0.35 0.37 -0.69 0.41 0.00 0.00 173.24 172.99 2cmr s VAL 131 N 1.55 5.21 0.04 3.43 1.01 -0.60 -3.20 120.40 127.83 2cmr s VAL 131 Ca 0.02 0.63 0.03 0.00 0.00 0.00 0.00 61.98 62.66 2cmr s VAL 131 Cb -0.19 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 2cmr s VAL 131 CO 0.06 0.24 0.02 -0.69 0.00 0.00 0.00 175.10 174.73 2cmr s VAL 132 N 1.47 4.21 -0.07 2.92 1.01 -0.68 -0.69 120.40 128.56 2cmr s VAL 132 Ca 0.17 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.42 2cmr s VAL 132 Cb -0.15 -2.95 0.03 0.00 0.00 0.00 0.00 36.38 33.31 2cmr s VAL 132 CO 0.08 0.26 -0.02 0.00 0.00 0.00 0.00 175.10 175.42 2cmr s LEU 134 N 1.64 3.64 -0.30 0.00 2.96 0.66 -1.67 118.68 125.61 2cmr s LEU 134 Ca 0.00 -0.03 -0.09 0.00 -0.22 0.00 0.00 54.13 53.80 2cmr s LEU 134 Cb -0.13 -1.93 -0.01 0.00 0.50 0.00 0.00 46.19 44.62 2cmr s LEU 134 CO -0.04 0.11 0.13 -0.76 -1.32 0.00 0.00 176.35 174.48 2cmr s LEU 135 N 0.72 4.01 -0.19 -0.68 1.02 -0.26 -0.70 118.68 122.59 2cmr s LEU 135 Ca 0.03 -0.51 -0.03 0.00 0.02 0.00 0.00 54.13 53.63 2cmr s LEU 135 Cb -0.13 -1.98 -0.02 0.00 0.02 0.00 0.00 46.19 44.08 2cmr s LEU 135 CO 0.02 -0.18 -0.05 0.21 0.02 0.00 0.00 176.35 176.38 2cmr s ASN 136 N 1.60 4.43 -0.72 2.29 2.47 0.13 -1.21 114.94 123.93 2cmr s ASN 136 Ca 0.05 -0.31 -0.04 0.00 0.42 0.00 0.00 52.86 52.98 2cmr s ASN 136 Cb -0.17 -1.74 -0.05 0.00 -1.45 0.00 0.00 41.25 37.84 2cmr s ASN 136 CO 0.06 0.05 0.63 0.59 -3.72 0.00 0.00 177.10 174.71 2cmr n ASN 137 N 4.31 -5.27 -4.58 -4.21 5.03 -1.00 -2.32 115.26 107.22 2cmr n ASN 137 Ca -0.18 -0.48 -0.26 0.00 0.87 0.00 0.00 54.58 54.53 2cmr n ASN 137 Cb 0.52 -3.79 -0.10 0.00 -1.02 0.00 0.00 39.78 35.38 2cmr n ASN 137 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 2cmr s PHE 138 N -3.26 2.46 -0.27 3.10 -0.12 -0.44 -4.57 117.98 114.87 2cmr s PHE 138 Ca 0.31 -0.53 -0.21 0.00 -0.05 0.00 0.00 56.93 56.45 2cmr s PHE 138 Cb -0.04 -1.50 0.07 0.00 -0.63 0.00 0.00 43.02 40.93 2cmr s PHE 138 CO 0.51 0.53 0.70 -0.47 -0.05 0.00 0.00 175.22 176.44 2cmr s TYR 139 N -2.62 -0.88 0.60 3.49 5.04 -0.86 -1.06 117.35 121.05 2cmr s TYR 139 Ca 0.34 1.98 -0.10 0.00 -2.44 0.00 0.00 57.07 56.85 2cmr s TYR 139 Cb 0.04 0.41 0.14 0.00 0.35 0.00 0.00 41.96 42.89 2cmr s TYR 139 CO 0.17 -0.43 0.79 -0.35 -1.34 0.00 0.00 175.55 174.40 2cmr n PRO 140 N 3.32 -0.86 -0.28 4.97 -0.04 -1.26 -1.77 135.00 139.08 2cmr n PRO 140 Ca -0.16 -1.23 0.04 0.00 -0.04 0.00 0.00 63.50 62.11 2cmr n PRO 140 Cb 0.57 -0.83 0.25 0.00 -0.04 0.00 0.00 33.50 33.45 2cmr n PRO 140 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2cmr h ARG 141 N 0.00 0.97 -6.36 0.54 2.43 -1.98 -3.43 114.38 106.55 2cmr h ARG 141 Ca -0.26 -0.06 -0.54 0.00 -0.81 0.00 0.00 59.98 58.31 2cmr h ARG 141 Cb 0.71 -0.22 0.02 0.00 -0.42 0.00 0.00 29.97 30.07 2cmr h ARG 141 CO 0.18 0.64 1.21 0.39 -1.51 0.00 0.00 179.97 180.89 2cmr n GLU 142 N -4.48 2.80 -3.63 0.20 4.71 -1.26 -4.93 120.64 114.05 2cmr n GLU 142 Ca 0.13 1.03 -0.05 0.00 -0.01 0.00 0.00 57.16 58.26 2cmr n GLU 142 Cb 0.18 -2.97 -0.06 0.00 -1.01 0.00 0.00 31.44 27.58 2cmr n GLU 142 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2cmr s ALA 143 N 4.30 -2.00 -0.16 0.62 0.00 -1.26 -4.63 121.76 118.63 2cmr s ALA 143 Ca 0.89 2.37 -0.04 0.00 0.00 0.00 0.00 51.96 55.18 2cmr s ALA 143 Cb -0.46 -1.57 -0.03 0.00 0.00 0.00 0.00 23.12 21.06 2cmr s ALA 143 CO 0.43 -0.53 -0.03 0.21 0.00 0.00 0.00 175.76 175.84 2cmr s LYS 144 N 1.93 3.69 -0.10 0.00 2.47 -0.90 -4.99 119.74 121.82 2cmr s LYS 144 Ca -0.09 -0.51 -0.06 0.00 -1.56 0.00 0.00 55.97 53.76 2cmr s LYS 144 Cb -0.06 -2.93 -0.04 0.00 -1.46 0.00 0.00 37.83 33.34 2cmr s LYS 144 CO -0.19 0.24 0.11 0.08 0.16 0.00 0.00 175.35 175.75 2cmr s VAL 145 N 0.36 5.23 -0.15 4.02 1.01 -1.26 -1.62 120.40 127.99 2cmr s VAL 145 Ca -0.04 0.08 -0.00 0.00 0.00 0.00 0.00 61.98 62.02 2cmr s VAL 145 Cb -0.14 -3.28 0.03 0.00 0.00 0.00 0.00 36.38 33.00 2cmr s VAL 145 CO 0.03 0.60 -0.07 -1.58 0.00 0.00 0.00 175.10 174.07 2cmr s GLN 146 N -1.06 1.58 0.53 2.72 2.00 -0.88 -4.96 119.66 119.58 2cmr s GLN 146 Ca 0.15 -0.47 -0.08 0.00 -2.00 0.00 0.00 55.36 52.97 2cmr s GLN 146 Cb -0.12 -1.92 -0.04 0.00 0.80 0.00 0.00 33.01 31.73 2cmr s GLN 146 CO 0.05 -0.37 0.87 -1.58 -0.50 0.00 0.00 175.29 173.76 2cmr s TRP 147 N 1.63 3.58 -0.26 1.67 0.52 -1.26 -0.51 118.94 124.31 2cmr s TRP 147 Ca 0.02 1.00 -0.12 0.00 0.02 0.00 0.00 56.10 57.02 2cmr s TRP 147 Cb -0.14 -2.46 0.09 0.00 -1.15 0.00 0.00 33.47 29.81 2cmr s TRP 147 CO -0.08 -0.41 0.61 0.15 0.02 0.00 0.00 176.95 177.24 2cmr s LYS 148 N -4.83 0.59 -0.21 4.98 1.02 -0.59 -3.17 119.74 117.53 2cmr s LYS 148 Ca 0.50 1.21 0.02 0.00 0.02 0.00 0.00 55.97 57.72 2cmr s LYS 148 Cb -0.11 0.34 0.04 0.00 -0.52 0.00 0.00 37.83 37.58 2cmr s LYS 148 CO 0.47 -0.18 -0.16 0.08 -0.92 0.00 0.00 175.35 174.64 2cmr s VAL 149 N 2.05 2.08 -1.29 3.17 1.01 0.66 -1.39 120.40 126.69 2cmr s VAL 149 Ca -0.08 -1.19 -0.01 0.00 0.00 0.00 0.00 61.98 60.70 2cmr s VAL 149 Cb -0.08 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.30 2cmr s VAL 149 CO -0.18 0.32 0.84 0.47 0.00 0.00 0.00 175.10 176.55 2cmr n ASP 150 N 4.56 -1.91 0.00 3.32 8.00 -0.06 -3.24 116.55 127.22 2cmr n ASP 150 Ca -0.18 -0.74 0.00 0.00 0.71 0.00 0.00 54.79 54.58 2cmr n ASP 150 Cb 0.47 -4.45 0.00 0.00 -0.02 0.00 0.00 41.12 37.12 2cmr n ASP 150 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2cmr n ASN 151 N -3.07 0.00 -0.05 -2.24 5.15 -1.26 -3.72 115.26 110.07 2cmr n ASN 151 Ca -0.26 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.72 2cmr n ASN 151 Cb 0.66 0.00 0.01 0.00 -0.53 0.00 0.00 39.78 39.92 2cmr n ASN 151 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2cmr n ALA 152 N 4.88 0.01 -2.43 5.20 0.00 -1.26 -3.42 120.51 123.49 2cmr n ALA 152 Ca 0.00 0.14 -0.39 0.00 0.00 0.00 0.00 53.44 53.19 2cmr n ALA 152 Cb 0.00 -0.07 -0.03 0.00 0.00 0.00 0.00 19.45 19.34 2cmr n ALA 152 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2cmr s LEU 153 N -8.40 3.32 -0.28 0.00 1.02 -1.20 -4.95 118.68 108.19 2cmr s LEU 153 Ca -0.02 -0.84 -0.17 0.00 0.02 0.00 0.00 54.13 53.12 2cmr s LEU 153 Cb 0.03 -2.56 -0.02 0.00 0.02 0.00 0.00 46.19 43.66 2cmr s LEU 153 CO 0.10 -1.87 0.48 0.00 0.02 0.00 0.00 176.35 175.08 2cmr s GLN 154 N 5.71 3.96 0.57 1.70 -2.07 -1.22 -0.25 119.66 128.07 2cmr s GLN 154 Ca 0.48 0.16 -0.01 0.00 -1.82 0.00 0.00 55.36 54.16 2cmr s GLN 154 Cb -0.05 -3.69 0.03 0.00 -1.09 0.00 0.00 33.01 28.22 2cmr s GLN 154 CO 0.03 -0.40 0.82 -1.12 -1.32 0.00 0.00 175.29 173.30 2cmr s SER 155 N 1.61 5.30 -0.22 12.60 0.01 -1.19 -5.01 113.70 126.81 2cmr s SER 155 Ca 0.19 0.20 0.15 0.00 1.31 0.00 0.00 55.95 57.80 2cmr s SER 155 Cb -0.16 -1.10 0.46 0.00 0.21 0.00 0.00 66.02 65.43 2cmr s SER 155 CO 0.10 -1.16 1.18 0.61 0.41 0.00 0.00 173.24 174.38 2cmr n GLY 156 N -2.44 4.14 2.47 3.44 0.00 -1.26 -4.74 105.19 106.79 2cmr n GLY 156 Ca 0.07 -1.66 -0.16 0.00 0.00 0.00 0.00 46.02 44.27 2cmr n GLY 156 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2cmr n ASN 157 N -0.59 1.72 -4.28 1.61 2.04 -1.26 -5.10 115.26 109.41 2cmr n ASN 157 Ca 0.23 -3.01 -0.15 0.00 -0.44 0.00 0.00 54.58 51.21 2cmr n ASN 157 Cb 0.89 -0.57 -0.10 0.00 -2.53 0.00 0.00 39.78 37.47 2cmr n ASN 157 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 2cmr s SER 158 N -2.89 1.04 0.05 0.53 1.04 -1.26 -3.54 113.70 108.67 2cmr s SER 158 Ca 0.36 -1.32 0.03 0.00 0.48 0.00 0.00 55.95 55.50 2cmr s SER 158 Cb 0.39 0.18 -0.03 0.00 0.10 0.00 0.00 66.02 66.67 2cmr s SER 158 CO -0.05 -0.70 -0.10 -1.10 0.98 0.00 0.00 173.24 172.27 2cmr s GLN 159 N -4.02 0.64 0.09 4.02 -0.21 -0.91 -5.00 119.66 114.28 2cmr s GLN 159 Ca 0.34 -0.82 0.06 0.00 0.02 0.00 0.00 55.36 54.96 2cmr s GLN 159 Cb 0.07 -0.50 -0.03 0.00 1.00 0.00 0.00 33.01 33.55 2cmr s GLN 159 CO 0.11 0.10 -0.15 -2.00 -2.12 0.00 0.00 175.29 171.23 2cmr s GLU 160 N -1.60 0.93 -0.10 2.91 2.12 -1.26 -0.76 118.70 120.94 2cmr s GLU 160 Ca -0.07 -1.09 -0.07 0.00 0.36 0.00 0.00 54.97 54.10 2cmr s GLU 160 Cb -0.10 -0.90 0.03 0.00 0.26 0.00 0.00 34.13 33.42 2cmr s GLU 160 CO 0.01 0.19 0.24 0.45 -0.54 0.00 0.00 175.26 175.61 2cmr s SER 161 N -2.05 -0.26 -0.04 -1.70 0.15 -0.88 -5.01 113.70 103.91 2cmr s SER 161 Ca 0.03 0.50 0.05 0.00 0.70 0.00 0.00 55.95 57.24 2cmr s SER 161 Cb -0.08 0.45 -0.01 0.00 -1.71 0.00 0.00 66.02 64.67 2cmr s SER 161 CO 0.03 -0.12 -0.21 -0.69 1.20 0.00 0.00 173.24 173.45 2cmr s VAL 162 N 0.66 1.69 0.97 4.45 1.01 -1.26 -1.42 120.40 126.50 2cmr s VAL 162 Ca -0.04 -0.88 -0.12 0.00 0.00 0.00 0.00 61.98 60.94 2cmr s VAL 162 Cb -0.06 -1.43 0.17 0.00 0.00 0.00 0.00 36.38 35.06 2cmr s VAL 162 CO -0.04 0.48 1.09 0.42 0.00 0.00 0.00 175.10 177.05 2cmr s THR 163 N -0.15 2.37 0.64 3.92 -4.23 -0.73 -5.00 115.64 112.47 2cmr s THR 163 Ca -0.01 0.12 -0.14 0.00 -1.18 0.00 0.00 61.69 60.48 2cmr s THR 163 Cb -0.12 -2.50 -0.01 0.00 1.34 0.00 0.00 72.50 71.22 2cmr s THR 163 CO 0.02 -0.16 1.07 -1.61 -0.54 0.00 0.00 174.62 173.40 2cmr s GLU 164 N -4.84 3.06 0.26 3.99 0.41 -1.26 -4.69 118.70 115.63 2cmr s GLU 164 Ca 0.65 1.17 -0.30 0.00 -0.41 0.00 0.00 54.97 56.07 2cmr s GLU 164 Cb -0.20 -2.00 -0.14 0.00 -1.78 0.00 0.00 34.13 30.02 2cmr s GLU 164 CO 0.58 -1.01 1.28 0.94 -0.49 0.00 0.00 175.26 176.56 2cmr n GLN 165 N -2.47 1.79 -2.21 1.61 7.27 -1.26 -4.83 117.38 117.28 2cmr n GLN 165 Ca 0.09 0.64 -0.39 0.00 0.07 0.00 0.00 57.00 57.40 2cmr n GLN 165 Cb 0.53 -2.20 -0.02 0.00 2.41 0.00 0.00 30.24 30.96 2cmr n GLN 165 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2cmr s ASP 166 N -0.02 6.55 0.00 1.69 2.15 0.18 -4.88 116.67 122.34 2cmr s ASP 166 Ca 0.65 2.47 0.30 0.00 0.43 0.00 0.00 52.55 56.40 2cmr s ASP 166 Cb -0.68 -2.63 1.47 0.00 -0.30 0.00 0.00 42.92 40.79 2cmr s ASP 166 CO 0.54 -0.67 2.00 -1.54 -0.17 0.00 0.00 175.17 175.33 2cmr n SER 167 N 0.27 0.29 -0.07 -0.34 3.41 -1.26 -1.83 113.62 114.09 2cmr n SER 167 Ca 0.03 -0.62 -0.14 0.00 -0.26 0.00 0.00 58.87 57.88 2cmr n SER 167 Cb 0.45 -0.11 -0.05 0.00 -0.26 0.00 0.00 64.21 64.24 2cmr n SER 167 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2cmr n LYS 168 N -0.98 0.31 0.00 4.33 5.02 -1.26 -4.80 118.16 120.78 2cmr n LYS 168 Ca 0.17 0.14 0.09 0.00 -2.02 0.00 0.00 58.31 56.68 2cmr n LYS 168 Cb 0.23 -1.03 0.04 0.00 -0.02 0.00 0.00 35.03 34.25 2cmr n LYS 168 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2cmr n ASP 169 N -3.76 2.14 -1.91 4.39 5.68 -1.26 -5.00 116.55 116.83 2cmr n ASP 169 Ca -0.25 -1.57 -0.18 0.00 -0.50 0.00 0.00 54.79 52.29 2cmr n ASP 169 Cb 0.62 0.21 -0.02 0.00 -1.14 0.00 0.00 41.12 40.79 2cmr n ASP 169 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2cmr n SER 170 N 0.52 -5.16 -4.98 -1.12 7.64 -0.76 -4.95 113.62 104.81 2cmr n SER 170 Ca 0.09 0.05 -0.18 0.00 1.01 0.00 0.00 58.87 59.84 2cmr n SER 170 Cb 0.41 -4.23 0.00 0.00 -1.01 0.00 0.00 64.21 59.38 2cmr n SER 170 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2cmr s THR 171 N -2.85 2.97 0.21 0.44 -4.23 -1.26 -4.63 115.64 106.29 2cmr s THR 171 Ca 0.00 -1.08 0.08 0.00 -1.18 0.00 0.00 61.69 59.52 2cmr s THR 171 Cb 0.00 -3.02 -0.04 0.00 1.34 0.00 0.00 72.50 70.78 2cmr s THR 171 CO 0.00 -0.01 -0.01 -0.31 -0.54 0.00 0.00 174.62 173.75 2cmr s TYR 172 N -2.37 2.77 0.13 3.99 2.02 -0.22 -0.65 117.35 123.02 2cmr s TYR 172 Ca 0.53 -0.18 0.06 0.00 -0.37 0.00 0.00 57.07 57.11 2cmr s TYR 172 Cb -0.08 -1.30 -0.04 0.00 -0.40 0.00 0.00 41.96 40.13 2cmr s TYR 172 CO 0.32 0.55 -0.13 -1.12 -1.57 0.00 0.00 175.55 173.60 2cmr s SER 173 N -3.20 1.95 -0.01 2.29 0.01 -1.26 -1.33 113.70 112.16 2cmr s SER 173 Ca 0.28 -0.86 -0.02 0.00 1.31 0.00 0.00 55.95 56.67 2cmr s SER 173 Cb -0.08 -0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.09 2cmr s SER 173 CO 0.19 -0.19 0.03 -0.22 0.41 0.00 0.00 173.24 173.47 2cmr s LEU 174 N -2.62 1.89 -0.15 2.44 0.20 -0.35 -1.78 118.68 118.31 2cmr s LEU 174 Ca 0.11 -0.02 -0.00 0.00 0.69 0.00 0.00 54.13 54.90 2cmr s LEU 174 Cb -0.03 0.16 0.04 0.00 -0.43 0.00 0.00 46.19 45.93 2cmr s LEU 174 CO 0.03 -0.08 -0.06 -0.55 -0.29 0.00 0.00 176.35 175.39 2cmr s SER 175 N -0.28 2.69 -0.15 3.68 0.15 -0.51 -1.10 113.70 118.17 2cmr s SER 175 Ca -0.03 -0.58 -0.02 0.00 0.70 0.00 0.00 55.95 56.02 2cmr s SER 175 Cb -0.02 -0.92 -0.02 0.00 -1.71 0.00 0.00 66.02 63.35 2cmr s SER 175 CO -0.00 -0.16 -0.08 -0.55 1.20 0.00 0.00 173.24 173.65 2cmr s SER 176 N 1.64 4.39 -0.17 5.45 0.15 -0.67 -2.08 113.70 122.41 2cmr s SER 176 Ca 0.02 -0.24 -0.02 0.00 0.70 0.00 0.00 55.95 56.40 2cmr s SER 176 Cb -0.14 -1.70 -0.01 0.00 -1.71 0.00 0.00 66.02 62.45 2cmr s SER 176 CO -0.08 0.15 -0.08 -0.89 1.20 0.00 0.00 173.24 173.54 2cmr s THR 177 N 0.46 3.26 -0.27 6.45 2.01 0.06 -1.39 115.64 126.21 2cmr s THR 177 Ca -0.06 -0.56 -0.15 0.00 0.31 0.00 0.00 61.69 61.23 2cmr s THR 177 Cb -0.15 -2.43 -0.04 0.00 0.01 0.00 0.00 72.50 69.90 2cmr s THR 177 CO 0.04 0.48 0.36 -0.22 -0.69 0.00 0.00 174.62 174.58 2cmr s LEU 178 N 0.87 4.05 -0.21 4.42 2.96 0.13 -2.13 118.68 128.77 2cmr s LEU 178 Ca -0.02 0.24 -0.06 0.00 -0.22 0.00 0.00 54.13 54.07 2cmr s LEU 178 Cb -0.15 -2.40 -0.03 0.00 0.50 0.00 0.00 46.19 44.12 2cmr s LEU 178 CO 0.01 -0.18 0.03 -0.89 -1.32 0.00 0.00 176.35 174.00 2cmr s THR 179 N 2.04 4.21 0.13 3.68 2.01 -1.23 -1.55 115.64 124.94 2cmr s THR 179 Ca 0.14 -0.22 -0.06 0.00 0.31 0.00 0.00 61.69 61.86 2cmr s THR 179 Cb -0.16 -2.93 -0.02 0.00 0.01 0.00 0.00 72.50 69.41 2cmr s THR 179 CO 0.10 0.40 0.19 -1.48 -0.69 0.00 0.00 174.62 173.14 2cmr s LEU 180 N 1.11 1.37 0.72 4.42 -0.00 -0.82 -4.92 118.68 120.55 2cmr s LEU 180 Ca 0.03 -0.92 -0.13 0.00 -0.00 0.00 0.00 54.13 53.11 2cmr s LEU 180 Cb -0.14 0.86 0.03 0.00 -0.00 0.00 0.00 46.19 46.94 2cmr s LEU 180 CO 0.02 -0.80 1.10 -0.94 -0.00 0.00 0.00 176.35 175.73 2cmr s SER 181 N -2.96 4.82 0.23 1.48 1.04 -1.26 -0.70 113.70 116.34 2cmr s SER 181 Ca 0.16 1.89 -0.07 0.00 0.48 0.00 0.00 55.95 58.41 2cmr s SER 181 Cb 0.05 -2.53 0.37 0.00 0.10 0.00 0.00 66.02 64.01 2cmr s SER 181 CO -0.02 -1.82 1.72 0.50 0.98 0.00 0.00 173.24 174.60 2cmr h LYS 182 N -0.59 0.37 -0.45 4.02 3.64 -1.49 -1.83 116.57 120.24 2cmr h LYS 182 Ca -0.45 -0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 58.83 2cmr h LYS 182 Cb 1.24 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.95 2cmr h LYS 182 CO 0.53 0.24 -0.06 0.00 -2.27 0.00 0.00 179.45 177.90 2cmr h ALA 183 N 1.50 1.06 -0.16 5.00 0.00 -1.92 -1.01 119.26 123.74 2cmr h ALA 183 Ca 0.36 -0.29 -0.21 0.00 0.00 0.00 0.00 54.91 54.77 2cmr h ALA 183 Cb 0.53 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.15 2cmr h ALA 183 CO -0.39 0.58 -0.75 -0.44 0.00 0.00 0.00 179.25 178.26 2cmr h ASP 184 N 0.71 0.88 0.53 0.00 3.32 -1.86 -2.33 116.42 117.67 2cmr h ASP 184 Ca 0.13 -0.57 -0.02 0.00 0.02 0.00 0.00 57.03 56.60 2cmr h ASP 184 Cb 0.51 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 2cmr h ASP 184 CO 0.03 1.36 -0.43 0.22 -1.72 0.00 0.00 179.24 178.69 2cmr h TYR 185 N 0.52 -1.17 0.00 4.55 3.20 -1.11 -2.97 116.97 120.00 2cmr h TYR 185 Ca -0.04 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.83 2cmr h TYR 185 Cb 1.37 0.44 0.00 0.00 1.54 0.00 0.00 36.73 40.08 2cmr h TYR 185 CO 0.08 -0.61 0.00 0.39 -1.64 0.00 0.00 178.16 176.38 2cmr n GLU 186 N -5.54 0.08 0.07 1.82 1.02 -0.40 -2.78 120.64 114.91 2cmr n GLU 186 Ca -0.12 0.38 -0.14 0.00 -0.02 0.00 0.00 57.16 57.27 2cmr n GLU 186 Cb 0.43 -1.67 -0.14 0.00 -0.02 0.00 0.00 31.44 30.05 2cmr n GLU 186 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2cmr h LYS 187 N 0.00 0.19 -6.21 3.49 3.64 -1.25 -3.47 116.57 112.95 2cmr h LYS 187 Ca 0.00 -0.32 -0.49 0.00 -1.27 0.00 0.00 60.65 58.57 2cmr h LYS 187 Cb 0.22 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.12 2cmr h LYS 187 CO 0.00 1.07 -0.48 -1.01 -2.27 0.00 0.00 179.45 176.76 2cmr s HIS 188 N -2.64 3.10 -0.16 1.91 3.76 -1.12 -5.06 115.29 115.08 2cmr s HIS 188 Ca -0.05 -0.16 -0.03 0.00 -0.15 0.00 0.00 55.06 54.67 2cmr s HIS 188 Cb 0.08 -1.57 -0.09 0.00 1.11 0.00 0.00 32.58 32.11 2cmr s HIS 188 CO 0.85 0.38 -0.17 1.17 -0.85 0.00 0.00 174.74 176.13 2cmr n LYS 189 N -1.29 0.37 -3.52 1.40 4.81 -1.26 -4.94 118.16 113.73 2cmr n LYS 189 Ca -0.06 0.12 -0.41 0.00 -0.87 0.00 0.00 58.31 57.09 2cmr n LYS 189 Cb 0.58 -1.22 -0.10 0.00 0.02 0.00 0.00 35.03 34.30 2cmr n LYS 189 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 2cmr s VAL 190 N -2.31 5.22 -0.22 3.15 1.01 -1.26 -4.99 120.40 121.00 2cmr s VAL 190 Ca -0.22 -0.38 -0.04 0.00 0.00 0.00 0.00 61.98 61.34 2cmr s VAL 190 Cb 0.07 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.68 2cmr s VAL 190 CO 0.33 -0.10 -0.04 -0.31 0.00 0.00 0.00 175.10 174.98 2cmr s TYR 191 N 1.70 2.96 0.05 5.22 2.02 -1.26 -0.88 117.35 127.15 2cmr s TYR 191 Ca 0.06 -0.93 0.02 0.00 -0.37 0.00 0.00 57.07 55.85 2cmr s TYR 191 Cb -0.18 -2.11 -0.03 0.00 -0.40 0.00 0.00 41.96 39.25 2cmr s TYR 191 CO 0.10 -0.54 -0.08 0.00 -1.57 0.00 0.00 175.55 173.46 2cmr s ALA 192 N 1.48 0.62 -0.14 3.71 0.00 -0.49 -4.23 121.76 122.70 2cmr s ALA 192 Ca 0.06 -0.84 -0.01 0.00 0.00 0.00 0.00 51.96 51.17 2cmr s ALA 192 Cb -0.14 0.06 0.04 0.00 0.00 0.00 0.00 23.12 23.08 2cmr s ALA 192 CO -0.03 -0.05 -0.05 0.00 0.00 0.00 0.00 175.76 175.62 2cmr s GLU 194 N 1.69 2.37 -0.27 0.00 2.12 0.34 -2.35 118.70 122.59 2cmr s GLU 194 Ca 0.02 -1.60 -0.20 0.00 0.36 0.00 0.00 54.97 53.56 2cmr s GLU 194 Cb -0.14 -3.66 -0.02 0.00 0.26 0.00 0.00 34.13 30.57 2cmr s GLU 194 CO -0.08 -0.99 0.61 0.08 -0.54 0.00 0.00 175.26 174.35 2cmr s VAL 195 N 1.30 4.98 0.09 3.70 1.01 0.22 -2.08 120.40 129.62 2cmr s VAL 195 Ca 0.04 1.00 0.01 0.00 0.00 0.00 0.00 61.98 63.03 2cmr s VAL 195 Cb -0.23 -3.94 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 2cmr s VAL 195 CO -0.01 -0.02 0.23 0.42 0.00 0.00 0.00 175.10 175.72 2cmr s THR 196 N 2.51 5.35 -0.19 3.92 -4.23 -0.64 -1.80 115.64 120.55 2cmr s THR 196 Ca 0.25 -0.49 -0.34 0.00 -1.18 0.00 0.00 61.69 59.93 2cmr s THR 196 Cb -0.15 -3.65 0.14 0.00 1.34 0.00 0.00 72.50 70.18 2cmr s THR 196 CO 0.10 0.07 1.21 -2.28 -0.54 0.00 0.00 174.62 173.17 2cmr s HIS 197 N -1.57 -0.14 0.30 3.99 5.04 -1.26 -2.13 115.29 119.52 2cmr s HIS 197 Ca 0.35 0.11 0.09 0.00 -1.54 0.00 0.00 55.06 54.07 2cmr s HIS 197 Cb -0.12 0.51 0.46 0.00 0.04 0.00 0.00 32.58 33.46 2cmr s HIS 197 CO 0.28 -0.20 1.68 0.37 -2.34 0.00 0.00 174.74 174.53 2cmr h GLN 198 N 2.04 0.12 -0.17 2.88 4.15 -1.92 -2.81 115.11 119.40 2cmr h GLN 198 Ca -0.10 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.26 2cmr h GLN 198 Cb 1.17 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.86 2cmr h GLN 198 CO 0.23 0.59 0.00 0.41 -1.93 0.00 0.00 178.83 178.13 2cmr n GLY 199 N -0.06 -0.16 3.08 2.39 0.00 -1.26 -4.70 105.19 104.48 2cmr n GLY 199 Ca -0.02 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 2cmr n GLY 199 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2cmr s LEU 200 N -1.10 3.34 0.21 0.99 1.43 -1.06 -4.56 118.68 117.92 2cmr s LEU 200 Ca 0.16 -1.33 -0.14 0.00 -1.03 0.00 0.00 54.13 51.78 2cmr s LEU 200 Cb 0.08 -1.55 0.23 0.00 0.03 0.00 0.00 46.19 44.98 2cmr s LEU 200 CO 0.11 -0.17 1.62 0.77 0.23 0.00 0.00 176.35 178.91 2cmr h SER 201 N 7.79 -0.65 -4.35 2.29 4.64 -1.84 -3.43 113.55 118.00 2cmr h SER 201 Ca -0.21 0.20 -0.47 0.00 -0.47 0.00 0.00 61.79 60.83 2cmr h SER 201 Cb 1.05 0.41 -0.22 0.00 -0.31 0.00 0.00 62.40 63.33 2cmr h SER 201 CO 0.48 -0.22 -0.80 -0.94 -0.87 0.00 0.00 176.83 174.47 2cmr s SER 202 N -5.22 2.01 0.07 4.97 1.04 -1.26 -5.10 113.70 110.20 2cmr s SER 202 Ca -0.14 -0.62 -0.28 0.00 0.48 0.00 0.00 55.95 55.39 2cmr s SER 202 Cb 0.19 -0.09 -0.15 0.00 0.10 0.00 0.00 66.02 66.07 2cmr s SER 202 CO 0.73 -0.01 0.66 -2.65 0.98 0.00 0.00 173.24 172.95 2cmr n PRO 203 N 1.29 0.00 -4.15 4.02 -0.01 -1.26 -4.96 135.00 129.93 2cmr n PRO 203 Ca -0.20 0.00 -0.35 0.00 -0.01 0.00 0.00 63.50 62.93 2cmr n PRO 203 Cb 0.54 -1.02 -0.09 0.00 -0.01 0.00 0.00 33.50 32.93 2cmr n PRO 203 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 175.50 175.57 2cmr s VAL 204 N -0.33 4.75 -0.17 -1.45 1.01 -0.75 -4.95 120.40 118.52 2cmr s VAL 204 Ca 0.63 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.54 2cmr s VAL 204 Cb -0.89 -3.06 0.03 0.00 0.00 0.00 0.00 36.38 32.46 2cmr s VAL 204 CO 0.45 0.57 -0.14 -0.89 0.00 0.00 0.00 175.10 175.08 2cmr s THR 205 N -0.59 1.69 -0.04 3.92 2.01 -1.26 -0.61 115.64 120.76 2cmr s THR 205 Ca 0.11 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 61.34 2cmr s THR 205 Cb -0.12 -1.61 -0.03 0.00 0.01 0.00 0.00 72.50 70.75 2cmr s THR 205 CO 0.02 0.40 -0.09 -0.54 -0.69 0.00 0.00 174.62 173.72 2cmr s LYS 206 N 1.42 2.61 0.00 4.92 -0.14 -0.99 -4.97 119.74 122.59 2cmr s LYS 206 Ca 0.03 -0.65 0.00 0.00 -1.36 0.00 0.00 55.97 54.00 2cmr s LYS 206 Cb -0.14 -2.50 0.00 0.00 -1.68 0.00 0.00 37.83 33.52 2cmr s LYS 206 CO -0.10 0.63 0.00 -1.13 -0.76 0.00 0.00 175.35 173.99