#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mjj s ILE 2 N 0.00 5.03 -0.24 0.53 1.01 -1.26 -5.00 121.20 121.26 1mjj s ILE 2 Ca 0.00 1.46 -0.14 0.00 0.00 0.00 0.00 60.65 61.98 1mjj s ILE 2 Cb 0.00 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 1mjj s ILE 2 CO 0.00 0.23 0.31 -0.69 0.00 0.00 0.00 174.94 174.79 1mjj s VAL 3 N 0.93 5.24 -0.36 2.92 1.01 -1.26 -4.78 120.40 124.10 1mjj s VAL 3 Ca 0.38 0.46 -0.12 0.00 0.00 0.00 0.00 61.98 62.70 1mjj s VAL 3 Cb -0.18 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.58 1mjj s VAL 3 CO 0.18 0.24 0.22 -0.04 0.00 0.00 0.00 175.10 175.70 1mjj s MET 4 N 1.57 3.05 -0.27 2.72 -1.94 -1.26 -0.89 119.30 122.29 1mjj s MET 4 Ca 0.13 -0.93 -0.08 0.00 -1.71 0.00 0.00 55.69 53.10 1mjj s MET 4 Cb -0.15 -3.76 -0.02 0.00 2.01 0.00 0.00 34.83 32.91 1mjj s MET 4 CO 0.08 -0.62 0.09 0.99 -0.01 0.00 0.00 175.02 175.55 1mjj s THR 5 N 1.62 4.29 -0.54 2.05 2.01 0.29 -4.29 115.64 121.07 1mjj s THR 5 Ca 0.04 -0.32 -0.08 0.00 0.31 0.00 0.00 61.69 61.64 1mjj s THR 5 Cb -0.18 -3.07 0.14 0.00 0.01 0.00 0.00 72.50 69.39 1mjj s THR 5 CO 0.08 0.24 0.40 -1.10 -0.69 0.00 0.00 174.62 173.55 1mjj s GLN 6 N 1.59 2.57 0.44 4.92 -0.21 -1.26 -0.49 119.66 127.21 1mjj s GLN 6 Ca 0.05 -2.00 0.18 0.00 0.02 0.00 0.00 55.36 53.61 1mjj s GLN 6 Cb -0.16 -3.91 1.11 0.00 1.00 0.00 0.00 33.01 31.05 1mjj s GLN 6 CO 0.04 -1.19 1.91 0.00 -2.12 0.00 0.00 175.29 173.93 1mjj h ALA 7 N 8.05 2.20 -2.59 6.09 0.00 -1.95 -3.41 119.26 127.66 1mjj h ALA 7 Ca -0.13 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.10 1mjj h ALA 7 Cb 1.04 -0.04 -0.19 0.00 0.00 0.00 0.00 17.79 18.60 1mjj h ALA 7 CO 0.80 -0.43 -0.39 0.00 0.00 0.00 0.00 179.25 179.24 1mjj s ALA 8 N -5.36 3.49 0.33 0.00 0.00 -1.26 -4.93 121.76 114.02 1mjj s ALA 8 Ca -0.08 -1.45 0.03 0.00 0.00 0.00 0.00 51.96 50.46 1mjj s ALA 8 Cb 0.21 -2.81 0.57 0.00 0.00 0.00 0.00 23.12 21.09 1mjj s ALA 8 CO 0.77 -1.21 1.88 -1.35 0.00 0.00 0.00 175.76 175.85 1mjj h PRO 9 N 8.55 0.60 -2.99 0.00 0.11 -1.80 -3.38 132.00 133.08 1mjj h PRO 9 Ca -0.29 -0.12 -0.08 0.00 0.11 0.00 0.00 66.00 65.62 1mjj h PRO 9 Cb 1.14 -0.09 -0.17 0.00 0.11 0.00 0.00 31.00 31.98 1mjj h PRO 9 CO 0.69 0.58 -0.13 0.45 -0.21 0.00 0.00 178.00 179.39 1mjj s SER 10 N -6.70 -0.28 -0.02 -2.05 0.15 -1.26 -1.12 113.70 102.42 1mjj s SER 10 Ca -0.08 0.04 -0.00 0.00 0.70 0.00 0.00 55.95 56.61 1mjj s SER 10 Cb 0.16 0.41 0.03 0.00 -1.71 0.00 0.00 66.02 64.90 1mjj s SER 10 CO 0.77 -0.62 0.03 0.68 1.20 0.00 0.00 173.24 175.30 1mjj s VAL 11 N -2.23 -0.06 -0.09 4.45 -7.23 0.16 -4.88 120.40 110.52 1mjj s VAL 11 Ca -0.07 0.24 -0.04 0.00 -1.81 0.00 0.00 61.98 60.29 1mjj s VAL 11 Cb -0.01 -0.09 -0.04 0.00 0.56 0.00 0.00 36.38 36.80 1mjj s VAL 11 CO -0.01 0.10 0.09 -2.16 -0.31 0.00 0.00 175.10 172.81 1mjj s PRO 12 N 1.18 3.25 0.02 4.82 0.04 -1.26 -1.13 135.00 141.92 1mjj s PRO 12 Ca -0.08 -0.27 -0.10 0.00 0.04 0.00 0.00 61.00 60.60 1mjj s PRO 12 Cb -0.13 -3.02 0.01 0.00 0.04 0.00 0.00 34.50 31.40 1mjj s PRO 12 CO -0.03 0.74 0.21 0.54 0.04 0.00 0.00 177.00 178.49 1mjj s VAL 13 N -1.01 0.09 0.18 -0.36 0.11 -0.86 -4.98 120.40 113.57 1mjj s VAL 13 Ca 0.16 -0.74 -0.04 0.00 -2.93 0.00 0.00 61.98 58.42 1mjj s VAL 13 Cb -0.12 -0.71 -0.05 0.00 -1.53 0.00 0.00 36.38 33.97 1mjj s VAL 13 CO 0.05 -0.41 0.42 0.42 -3.33 0.00 0.00 175.10 172.25 1mjj s THR 14 N -1.96 5.14 0.21 5.04 -4.23 -1.26 -0.35 115.64 118.22 1mjj s THR 14 Ca -0.10 -0.01 -0.31 0.00 -1.18 0.00 0.00 61.69 60.09 1mjj s THR 14 Cb -0.04 -3.66 -0.15 0.00 1.34 0.00 0.00 72.50 69.99 1mjj s THR 14 CO -0.01 -0.06 1.11 -0.81 -0.54 0.00 0.00 174.62 174.31 1mjj n PRO 15 N -0.22 1.21 0.00 3.99 -0.04 -1.26 -1.94 135.00 136.74 1mjj n PRO 15 Ca -0.02 0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 1mjj n PRO 15 Cb 0.52 -1.88 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 1mjj n PRO 15 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1mjj n GLY 16 N 1.79 2.84 3.80 0.55 0.00 0.11 -4.97 105.19 109.31 1mjj n GLY 16 Ca 0.13 -0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1mjj n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mjj s GLU 17 N 0.00 2.30 0.34 1.61 2.02 -0.82 -3.96 118.70 120.19 1mjj s GLU 17 Ca 0.00 0.83 0.02 0.00 0.02 0.00 0.00 54.97 55.84 1mjj s GLU 17 Cb 0.00 -1.93 -0.03 0.00 0.10 0.00 0.00 34.13 32.27 1mjj s GLU 17 CO 0.00 -1.52 0.52 -1.54 0.02 0.00 0.00 175.26 172.74 1mjj s SER 18 N -3.75 6.24 0.05 -0.19 1.04 -1.26 -0.65 113.70 115.18 1mjj s SER 18 Ca 0.60 0.33 -0.11 0.00 0.48 0.00 0.00 55.95 57.25 1mjj s SER 18 Cb -0.15 -1.91 0.01 0.00 0.10 0.00 0.00 66.02 64.07 1mjj s SER 18 CO 0.55 -0.30 0.24 0.54 0.98 0.00 0.00 173.24 175.25 1mjj s VAL 19 N -2.27 0.10 -0.06 5.02 0.11 -0.46 -4.95 120.40 117.89 1mjj s VAL 19 Ca 0.40 -0.85 0.03 0.00 -2.93 0.00 0.00 61.98 58.62 1mjj s VAL 19 Cb -0.09 -1.01 0.01 0.00 -1.53 0.00 0.00 36.38 33.76 1mjj s VAL 19 CO 0.35 -0.47 -0.13 -0.55 -3.33 0.00 0.00 175.10 170.97 1mjj s SER 20 N -2.25 1.81 -0.15 3.54 0.15 -1.26 -1.07 113.70 114.48 1mjj s SER 20 Ca -0.03 -0.30 -0.01 0.00 0.70 0.00 0.00 55.95 56.31 1mjj s SER 20 Cb 0.00 -0.77 -0.01 0.00 -1.71 0.00 0.00 66.02 63.53 1mjj s SER 20 CO -0.05 0.06 -0.12 -0.63 1.20 0.00 0.00 173.24 173.69 1mjj s ILE 21 N 0.53 3.00 0.15 6.45 1.01 0.07 -4.94 121.20 127.48 1mjj s ILE 21 Ca -0.12 -0.66 0.03 0.00 0.00 0.00 0.00 60.65 59.90 1mjj s ILE 21 Cb -0.15 -2.28 -0.04 0.00 0.01 0.00 0.00 42.46 40.01 1mjj s ILE 21 CO 0.03 0.51 0.24 -0.94 0.00 0.00 0.00 174.94 174.78 1mjj s SER 22 N 0.65 6.10 -0.20 3.58 1.04 -1.26 -0.89 113.70 122.71 1mjj s SER 22 Ca -0.07 0.08 -0.14 0.00 0.48 0.00 0.00 55.95 56.30 1mjj s SER 22 Cb -0.15 -1.77 0.06 0.00 0.10 0.00 0.00 66.02 64.25 1mjj s SER 22 CO 0.02 0.06 0.52 0.00 0.98 0.00 0.00 173.24 174.82 1mjj s ARG 24 N 1.03 1.07 0.14 0.00 0.52 0.35 -0.62 118.95 121.44 1mjj s ARG 24 Ca -0.06 -0.99 0.08 0.00 -0.52 0.00 0.00 55.73 54.23 1mjj s ARG 24 Cb -0.06 -1.20 -0.04 0.00 0.52 0.00 0.00 34.95 34.17 1mjj s ARG 24 CO -0.09 0.29 -0.08 -1.54 0.02 0.00 0.00 175.30 173.90 1mjj s SER 25 N -1.58 4.45 0.00 0.23 1.04 -0.62 0.10 113.70 117.32 1mjj s SER 25 Ca 0.04 -0.43 0.26 0.00 0.48 0.00 0.00 55.95 56.29 1mjj s SER 25 Cb -0.09 -0.85 1.50 0.00 0.10 0.00 0.00 66.02 66.67 1mjj s SER 25 CO 0.03 0.14 1.89 -1.54 0.98 0.00 0.00 173.24 174.74 1mjj n SER 26 N 0.37 0.00 -3.49 7.02 3.41 -0.07 -4.77 113.62 116.08 1mjj n SER 26 Ca -0.12 -0.69 -0.14 0.00 -0.26 0.00 0.00 58.87 57.67 1mjj n SER 26 Cb 0.54 -0.05 -0.04 0.00 -0.26 0.00 0.00 64.21 64.40 1mjj n SER 26 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 1mjj s LYS 27 N -2.09 1.05 0.00 4.33 -2.85 -1.26 -4.94 119.74 113.97 1mjj s LYS 27 Ca 0.36 -0.07 0.00 0.00 -1.00 0.00 0.00 55.97 55.26 1mjj s LYS 27 Cb 0.18 0.49 0.00 0.00 -2.06 0.00 0.00 37.83 36.43 1mjj s LYS 27 CO 0.31 -0.39 0.00 0.45 0.10 0.00 0.00 175.35 175.82 1mjj n SER 27 N 0.31 -0.97 -2.07 0.03 2.88 -1.26 -4.78 113.62 107.76 1mjj n SER 27 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1mjj n SER 27 Cb 0.60 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 1mjj n SER 27 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1mjj n LEU 27 N 0.00 -4.42 -4.88 2.46 7.94 -1.26 -5.00 117.00 111.84 1mjj n LEU 27 Ca 0.00 2.51 -0.30 0.00 -1.11 0.00 0.00 56.01 57.11 1mjj n LEU 27 Cb 0.00 -2.71 0.03 0.00 0.53 0.00 0.00 43.42 41.27 1mjj n LEU 27 CO 0.00 -1.87 0.73 -2.28 -1.11 0.00 0.00 177.39 172.85 1mjj s HIS 27 N -0.39 3.46 -0.04 1.96 5.65 0.69 -4.93 115.29 121.69 1mjj s HIS 27 Ca 0.00 1.14 0.30 0.00 0.25 0.00 0.00 55.06 56.74 1mjj s HIS 27 Cb 0.00 -2.89 1.42 0.00 -1.18 0.00 0.00 32.58 29.92 1mjj s HIS 27 CO 0.00 -0.94 1.89 0.66 -0.65 0.00 0.00 174.74 175.70 1mjj h SER 27 N -0.48 0.00 -0.07 9.88 4.64 -2.02 -0.86 113.55 124.65 1mjj h SER 27 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1mjj h SER 27 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1mjj h SER 27 CO 0.63 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.13 1mjj n ASN 28 N -2.61 0.62 0.00 4.97 0.23 -1.26 -4.89 115.26 112.32 1mjj n ASN 28 Ca -0.00 -1.59 0.00 0.00 -0.53 0.00 0.00 54.58 52.46 1mjj n ASN 28 Cb 0.16 -0.04 0.00 0.00 -2.08 0.00 0.00 39.78 37.82 1mjj n ASN 28 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1mjj n GLY 29 N 0.89 1.79 3.86 4.83 0.00 -0.33 -5.05 105.19 111.18 1mjj n GLY 29 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1mjj n GLY 29 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1mjj s ASN 30 N -3.08 6.71 -0.31 1.61 0.01 -1.26 -4.81 114.94 113.81 1mjj s ASN 30 Ca 0.00 1.02 -0.05 0.00 -0.71 0.00 0.00 52.86 53.12 1mjj s ASN 30 Cb 0.00 -2.27 0.03 0.00 0.41 0.00 0.00 41.25 39.42 1mjj s ASN 30 CO 0.00 -0.04 0.06 -0.89 -1.51 0.00 0.00 177.10 174.72 1mjj s THR 31 N -1.74 3.62 -1.39 1.60 2.01 -1.26 -0.22 115.64 118.26 1mjj s THR 31 Ca 0.46 -0.99 -0.15 0.00 0.31 0.00 0.00 61.69 61.32 1mjj s THR 31 Cb -0.12 -2.96 0.06 0.00 0.01 0.00 0.00 72.50 69.50 1mjj s THR 31 CO 0.20 -0.02 2.02 -1.22 -0.69 0.00 0.00 174.62 174.91 1mjj n TYR 32 N 4.79 3.90 -4.01 4.92 4.02 -1.26 -3.08 117.16 126.44 1mjj n TYR 32 Ca -0.14 -2.94 -0.19 0.00 -0.01 0.00 0.00 57.90 54.62 1mjj n TYR 32 Cb 0.46 -2.52 -0.16 0.00 -0.02 0.00 0.00 39.34 37.09 1mjj n TYR 32 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1mjj s LEU 33 N 2.62 1.15 0.19 7.72 1.98 -1.26 -2.16 118.68 128.92 1mjj s LEU 33 Ca 0.48 -0.08 0.08 0.00 -2.89 0.00 0.00 54.13 51.72 1mjj s LEU 33 Cb 0.10 -0.36 -0.04 0.00 0.66 0.00 0.00 46.19 46.55 1mjj s LEU 33 CO -0.03 -0.09 -0.02 -0.31 -1.89 0.00 0.00 176.35 174.01 1mjj s TYR 34 N 1.12 2.79 -0.05 5.38 1.51 0.09 -1.04 117.35 127.15 1mjj s TYR 34 Ca -0.08 -0.16 0.02 0.00 -1.01 0.00 0.00 57.07 55.83 1mjj s TYR 34 Cb -0.14 -1.34 0.02 0.00 -0.11 0.00 0.00 41.96 40.39 1mjj s TYR 34 CO -0.01 0.53 -0.08 -1.58 -1.11 0.00 0.00 175.55 173.29 1mjj s TRP 35 N -1.79 1.05 0.15 2.71 0.52 -0.53 -1.73 118.94 119.31 1mjj s TRP 35 Ca 0.27 -0.34 0.07 0.00 0.02 0.00 0.00 56.10 56.12 1mjj s TRP 35 Cb -0.09 -0.82 -0.04 0.00 -1.15 0.00 0.00 33.47 31.37 1mjj s TRP 35 CO 0.18 -0.21 -0.14 -0.06 0.02 0.00 0.00 176.95 176.74 1mjj s PHE 36 N 0.72 1.54 -0.11 -1.98 0.40 -0.05 -0.59 117.98 117.91 1mjj s PHE 36 Ca -0.12 -0.57 0.03 0.00 -0.60 0.00 0.00 56.93 55.67 1mjj s PHE 36 Cb -0.14 -0.77 -0.00 0.00 0.51 0.00 0.00 43.02 42.62 1mjj s PHE 36 CO 0.02 0.22 -0.21 -1.17 0.70 0.00 0.00 175.22 174.78 1mjj s LEU 37 N -2.81 2.26 -0.12 -0.37 2.96 -0.05 -1.07 118.68 119.48 1mjj s LEU 37 Ca 0.15 -0.49 0.03 0.00 -0.22 0.00 0.00 54.13 53.59 1mjj s LEU 37 Cb -0.03 -1.47 0.01 0.00 0.50 0.00 0.00 46.19 45.20 1mjj s LEU 37 CO 0.04 0.16 -0.21 -1.58 -1.32 0.00 0.00 176.35 173.45 1mjj s GLN 38 N 0.32 2.84 0.12 1.98 0.74 0.53 -0.25 119.66 125.95 1mjj s GLN 38 Ca -0.16 -0.80 0.02 0.00 0.05 0.00 0.00 55.36 54.47 1mjj s GLN 38 Cb -0.17 -2.25 -0.04 0.00 1.10 0.00 0.00 33.01 31.65 1mjj s GLN 38 CO 0.08 0.05 0.23 1.03 -0.55 0.00 0.00 175.29 176.13 1mjj s ARG 39 N 0.67 3.33 -0.04 1.67 0.52 -1.26 -1.12 118.95 122.72 1mjj s ARG 39 Ca -0.12 -0.60 -0.38 0.00 -0.52 0.00 0.00 55.73 54.12 1mjj s ARG 39 Cb -0.16 -2.93 -0.16 0.00 0.52 0.00 0.00 34.95 32.22 1mjj s ARG 39 CO 0.02 0.54 1.53 -2.30 0.02 0.00 0.00 175.30 175.11 1mjj n PRO 40 N -0.24 1.28 -0.90 3.54 -0.02 -1.26 -0.91 135.00 136.49 1mjj n PRO 40 Ca -0.07 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1mjj n PRO 40 Cb 0.53 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1mjj n PRO 40 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mjj n GLY 41 N 3.26 0.65 3.60 -1.23 0.00 -1.26 -5.01 105.19 105.20 1mjj n GLY 41 Ca 0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.97 1mjj n GLY 41 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1mjj s GLN 42 N -0.32 2.16 0.56 1.61 -0.21 -0.08 -5.12 119.66 118.25 1mjj s GLN 42 Ca 0.00 -1.27 -0.16 0.00 0.02 0.00 0.00 55.36 53.95 1mjj s GLN 42 Cb 0.00 -2.19 -0.06 0.00 1.00 0.00 0.00 33.01 31.76 1mjj s GLN 42 CO 0.00 0.43 1.03 -1.54 -2.12 0.00 0.00 175.29 173.09 1mjj s SER 43 N -2.99 6.12 0.43 5.90 1.04 -1.26 -4.44 113.70 118.50 1mjj s SER 43 Ca 0.26 1.74 -0.24 0.00 0.48 0.00 0.00 55.95 58.19 1mjj s SER 43 Cb -0.08 -2.53 -0.10 0.00 0.10 0.00 0.00 66.02 63.41 1mjj s SER 43 CO 0.17 -0.93 1.06 -2.65 0.98 0.00 0.00 173.24 171.87 1mjj n PRO 44 N -1.79 1.44 -4.95 4.02 -0.02 -1.26 -4.69 135.00 127.75 1mjj n PRO 44 Ca 0.08 0.52 -0.32 0.00 -2.02 0.00 0.00 63.50 61.75 1mjj n PRO 44 Cb 0.53 -2.12 -0.15 0.00 -0.02 0.00 0.00 33.50 31.75 1mjj n PRO 44 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1mjj s GLN 45 N -2.09 2.92 0.17 -0.52 -0.21 0.66 -4.92 119.66 115.67 1mjj s GLN 45 Ca 0.63 -0.75 -0.31 0.00 0.02 0.00 0.00 55.36 54.95 1mjj s GLN 45 Cb -0.54 -2.43 -0.09 0.00 1.00 0.00 0.00 33.01 30.95 1mjj s GLN 45 CO 0.56 0.37 1.49 -1.17 -2.12 0.00 0.00 175.29 174.42 1mjj s LEU 46 N -0.07 4.37 -0.04 2.90 2.96 -1.26 -0.87 118.68 126.66 1mjj s LEU 46 Ca -0.04 2.54 -0.05 0.00 -0.22 0.00 0.00 54.13 56.36 1mjj s LEU 46 Cb -0.14 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 42.92 1mjj s LEU 46 CO 0.04 -0.75 -0.12 0.18 -1.32 0.00 0.00 176.35 174.38 1mjj n LEU 47 N 3.68 0.98 -4.04 -0.68 4.77 0.24 -4.79 117.00 117.17 1mjj n LEU 47 Ca 0.12 0.15 -0.19 0.00 -0.03 0.00 0.00 56.01 56.06 1mjj n LEU 47 Cb 0.40 -0.36 -0.15 0.00 -2.33 0.00 0.00 43.42 40.98 1mjj n LEU 47 CO 0.60 -0.18 -0.44 -0.63 -1.33 0.00 0.00 177.39 175.42 1mjj s ILE 48 N -2.23 0.77 0.14 -0.08 -1.09 -0.88 -1.26 121.20 116.57 1mjj s ILE 48 Ca -0.11 -0.45 0.05 0.00 -2.23 0.00 0.00 60.65 57.91 1mjj s ILE 48 Cb 0.03 -0.65 -0.04 0.00 -1.58 0.00 0.00 42.46 40.22 1mjj s ILE 48 CO 0.15 0.19 -0.12 -0.72 -1.23 0.00 0.00 174.94 173.21 1mjj s TYR 49 N -0.28 1.32 -1.62 3.97 1.13 -0.77 -1.46 117.35 119.65 1mjj s TYR 49 Ca 0.03 -0.65 -0.01 0.00 -1.41 0.00 0.00 57.07 55.03 1mjj s TYR 49 Cb -0.04 -0.68 0.00 0.00 -1.10 0.00 0.00 41.96 40.15 1mjj s TYR 49 CO -0.00 0.12 0.16 -2.13 -2.51 0.00 0.00 175.55 171.19 1mjj n ARG 50 N 0.17 -2.59 0.00 -3.49 0.63 -1.15 -1.64 116.66 108.59 1mjj n ARG 50 Ca -0.13 0.92 0.00 0.00 -0.92 0.00 0.00 57.85 57.72 1mjj n ARG 50 Cb 0.59 -5.62 0.00 0.00 0.45 0.00 0.00 32.46 27.87 1mjj n ARG 50 CO 0.00 0.00 0.00 -0.12 -2.51 0.00 0.00 177.63 175.00 1mjj n MET 51 N -3.26 0.00 0.00 -0.14 0.00 -0.21 -4.29 117.12 109.23 1mjj n MET 51 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.51 1mjj n MET 51 Cb 0.66 -1.21 0.00 0.00 0.00 0.00 0.00 33.22 32.67 1mjj n MET 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1mjj n SER 52 N 0.36 0.17 -4.72 6.12 3.41 -1.17 -3.65 113.62 114.13 1mjj n SER 52 Ca 0.00 -1.06 -0.38 0.00 -0.26 0.00 0.00 58.87 57.17 1mjj n SER 52 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 1mjj n SER 52 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1mjj s ASN 53 N -0.06 6.79 -0.07 4.04 -0.87 -0.65 -4.58 114.94 119.54 1mjj s ASN 53 Ca 0.00 0.94 -0.27 0.00 -1.57 0.00 0.00 52.86 51.96 1mjj s ASN 53 Cb 0.00 -2.33 -0.02 0.00 -0.02 0.00 0.00 41.25 38.88 1mjj s ASN 53 CO 0.00 -0.03 0.88 -0.22 -2.57 0.00 0.00 177.10 175.16 1mjj s LEU 54 N 0.65 4.29 0.51 0.60 2.96 -1.26 -1.84 118.68 124.59 1mjj s LEU 54 Ca 0.30 1.41 -0.21 0.00 -0.22 0.00 0.00 54.13 55.42 1mjj s LEU 54 Cb -0.16 -3.37 -0.07 0.00 0.50 0.00 0.00 46.19 43.09 1mjj s LEU 54 CO 0.13 -0.29 1.13 0.00 -1.32 0.00 0.00 176.35 176.00 1mjj s ALA 55 N 1.39 2.79 0.47 5.97 0.00 -0.39 -4.96 121.76 127.03 1mjj s ALA 55 Ca 0.45 0.82 -0.24 0.00 0.00 0.00 0.00 51.96 52.99 1mjj s ALA 55 Cb -0.19 -3.35 -0.08 0.00 0.00 0.00 0.00 23.12 19.50 1mjj s ALA 55 CO 0.20 -0.67 1.34 0.45 0.00 0.00 0.00 175.76 177.08 1mjj n SER 56 N -1.03 2.80 0.00 0.00 2.88 -1.26 -2.14 113.62 114.87 1mjj n SER 56 Ca 0.10 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.72 1mjj n SER 56 Cb 0.50 -1.55 0.00 0.00 -0.75 0.00 0.00 64.21 62.41 1mjj n SER 56 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1mjj n GLY 57 N 0.73 2.41 3.76 0.46 0.00 -1.26 -5.02 105.19 106.27 1mjj n GLY 57 Ca 0.07 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.72 1mjj n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mjj s VAL 58 N -2.50 5.19 0.34 1.61 1.01 -0.91 -5.04 120.40 120.09 1mjj s VAL 58 Ca 0.00 0.79 -0.29 0.00 0.00 0.00 0.00 61.98 62.48 1mjj s VAL 58 Cb 0.00 -3.73 -0.12 0.00 0.00 0.00 0.00 36.38 32.53 1mjj s VAL 58 CO 0.00 0.42 1.40 -0.81 0.00 0.00 0.00 175.10 176.11 1mjj n PRO 59 N 3.11 2.36 0.00 2.72 -0.04 -1.26 -4.82 135.00 137.06 1mjj n PRO 59 Ca -0.11 0.83 0.00 0.00 -0.04 0.00 0.00 63.50 64.18 1mjj n PRO 59 Cb 0.52 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 1mjj n PRO 59 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1mjj n ASP 60 N 0.97 0.02 0.14 3.54 5.75 -1.26 -1.27 116.55 124.44 1mjj n ASP 60 Ca 0.05 -1.21 0.13 0.00 -0.01 0.00 0.00 54.79 53.74 1mjj n ASP 60 Cb 0.37 -0.01 0.44 0.00 -1.03 0.00 0.00 41.12 40.89 1mjj n ASP 60 CO 0.00 0.00 0.00 0.03 -0.11 0.00 0.00 177.20 177.12 1mjj h ARG 61 N 0.01 0.00 -5.88 0.11 3.08 -1.87 -3.44 114.38 106.40 1mjj h ARG 61 Ca 0.00 0.00 -0.63 0.00 0.07 0.00 0.00 59.98 59.42 1mjj h ARG 61 Cb 0.01 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.01 1mjj h ARG 61 CO 0.00 0.00 -0.40 -0.06 -1.07 0.00 0.00 179.97 178.44 1mjj s PHE 62 N -3.24 3.58 0.04 3.04 0.40 -0.39 -0.08 117.98 121.32 1mjj s PHE 62 Ca 0.07 0.55 -0.25 0.00 -0.60 0.00 0.00 56.93 56.70 1mjj s PHE 62 Cb 0.10 -1.97 0.06 0.00 0.51 0.00 0.00 43.02 41.72 1mjj s PHE 62 CO 0.52 0.63 0.57 -1.54 0.70 0.00 0.00 175.22 176.10 1mjj s SER 63 N -1.68 -0.52 -0.02 1.36 1.04 -0.17 -4.96 113.70 108.75 1mjj s SER 63 Ca 0.27 0.29 0.03 0.00 0.48 0.00 0.00 55.95 57.02 1mjj s SER 63 Cb -0.13 0.52 -0.01 0.00 0.10 0.00 0.00 66.02 66.50 1mjj s SER 63 CO 0.16 -0.73 -0.12 -0.83 0.98 0.00 0.00 173.24 172.70 1mjj s GLY 64 N -1.89 0.62 0.22 7.32 0.00 -1.26 0.13 107.32 112.45 1mjj s GLY 64 Ca -0.06 -0.49 -0.07 0.00 0.00 0.00 0.00 44.72 44.10 1mjj s GLY 64 CO -0.01 -0.33 0.31 -1.35 0.00 0.00 0.00 173.10 171.72 1mjj s SER 65 N -0.11 0.03 0.00 1.64 1.04 -0.54 -4.17 113.70 111.58 1mjj s SER 65 Ca 0.02 -1.15 0.00 0.00 0.48 0.00 0.00 55.95 55.29 1mjj s SER 65 Cb -0.07 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.54 1mjj s SER 65 CO 0.00 -0.99 0.00 0.61 0.98 0.00 0.00 173.24 173.84 1mjj n GLY 66 N -0.33 1.28 0.00 7.32 0.00 -1.26 -0.75 105.19 111.45 1mjj n GLY 66 Ca 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.12 1mjj n GLY 66 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1mjj n SER 67 N 0.00 0.00 0.09 1.61 3.41 0.07 -4.98 113.62 113.82 1mjj n SER 67 Ca 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.72 1mjj n SER 67 Cb 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1mjj n SER 67 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mjj n GLY 68 N 5.00 -1.42 0.00 5.00 0.00 -1.26 -4.52 105.19 107.99 1mjj n GLY 68 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1mjj n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1mjj n THR 69 N -2.59 0.00 -4.10 2.61 -2.24 -1.26 -4.23 114.28 102.47 1mjj n THR 69 Ca -0.00 -0.16 -0.33 0.00 -2.27 0.00 0.00 64.05 61.29 1mjj n THR 69 Cb 0.54 1.25 -0.16 0.00 -2.10 0.00 0.00 70.33 69.86 1mjj n THR 69 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mjj s ALA 70 N -0.20 2.40 0.14 6.98 0.00 -1.26 -1.59 121.76 128.22 1mjj s ALA 70 Ca 0.00 -1.29 0.09 0.00 0.00 0.00 0.00 51.96 50.77 1mjj s ALA 70 Cb 0.00 -1.27 -0.04 0.00 0.00 0.00 0.00 23.12 21.81 1mjj s ALA 70 CO 0.00 -0.46 -0.22 -0.06 0.00 0.00 0.00 175.76 175.01 1mjj s PHE 71 N 1.28 2.00 -0.01 0.00 0.08 0.21 -0.75 117.98 120.80 1mjj s PHE 71 Ca 0.03 -0.41 0.01 0.00 0.12 0.00 0.00 56.93 56.68 1mjj s PHE 71 Cb -0.14 -1.05 0.01 0.00 -0.57 0.00 0.00 43.02 41.27 1mjj s PHE 71 CO -0.11 0.32 -0.01 0.99 -0.10 0.00 0.00 175.22 176.30 1mjj s THR 72 N -1.43 0.18 -0.25 0.64 2.01 0.07 -1.79 115.64 115.06 1mjj s THR 72 Ca 0.13 -0.03 -0.06 0.00 0.31 0.00 0.00 61.69 62.04 1mjj s THR 72 Cb -0.09 -0.20 -0.01 0.00 0.01 0.00 0.00 72.50 72.21 1mjj s THR 72 CO 0.06 0.09 0.03 -0.22 -0.69 0.00 0.00 174.62 173.89 1mjj s LEU 73 N 0.36 3.39 -0.13 4.42 2.96 -0.07 -1.47 118.68 128.13 1mjj s LEU 73 Ca -0.03 -0.43 -0.03 0.00 -0.22 0.00 0.00 54.13 53.41 1mjj s LEU 73 Cb -0.06 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 1mjj s LEU 73 CO -0.01 -0.08 -0.01 -0.13 -1.32 0.00 0.00 176.35 174.80 1mjj s ARG 74 N 1.53 3.44 -0.20 1.98 0.52 0.12 -0.75 118.95 125.59 1mjj s ARG 74 Ca 0.05 -0.45 0.01 0.00 -0.52 0.00 0.00 55.73 54.82 1mjj s ARG 74 Cb -0.15 -2.91 0.04 0.00 0.52 0.00 0.00 34.95 32.44 1mjj s ARG 74 CO 0.01 0.43 -0.15 0.42 0.02 0.00 0.00 175.30 176.03 1mjj s ILE 75 N -0.13 1.95 0.20 1.52 1.01 -0.23 -1.00 121.20 124.52 1mjj s ILE 75 Ca 0.04 -1.12 -0.13 0.00 0.00 0.00 0.00 60.65 59.43 1mjj s ILE 75 Cb -0.13 -1.91 -0.07 0.00 0.01 0.00 0.00 42.46 40.36 1mjj s ILE 75 CO 0.02 0.29 0.58 -0.44 0.00 0.00 0.00 174.94 175.39 1mjj s SER 76 N 1.28 6.77 -1.22 3.58 0.01 0.88 -1.35 113.70 123.64 1mjj s SER 76 Ca -0.00 1.07 -0.12 0.00 1.31 0.00 0.00 55.95 58.20 1mjj s SER 76 Cb -0.16 -2.28 -0.01 0.00 0.21 0.00 0.00 66.02 63.78 1mjj s SER 76 CO -0.10 0.01 0.69 0.54 0.41 0.00 0.00 173.24 174.80 1mjj n ARG 77 N 0.37 -2.31 -1.61 12.44 1.74 -1.23 -4.82 116.66 121.24 1mjj n ARG 77 Ca -0.02 0.48 -0.47 0.00 -0.77 0.00 0.00 57.85 57.07 1mjj n ARG 77 Cb 0.52 -4.43 -0.03 0.00 -1.02 0.00 0.00 32.46 27.49 1mjj n ARG 77 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1mjj n VAL 78 N -4.22 1.05 -4.33 1.55 0.31 0.17 -4.59 118.33 108.28 1mjj n VAL 78 Ca -0.18 -0.26 -0.18 0.00 -0.01 0.00 0.00 64.34 63.72 1mjj n VAL 78 Cb 0.63 -1.04 -0.10 0.00 -0.91 0.00 0.00 33.84 32.42 1mjj n VAL 78 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1mjj s GLU 79 N -0.54 1.49 0.27 5.55 -1.05 -1.26 0.09 118.70 123.25 1mjj s GLU 79 Ca 0.70 -1.83 -0.01 0.00 -0.15 0.00 0.00 54.97 53.68 1mjj s GLU 79 Cb -0.77 -0.23 0.59 0.00 -0.44 0.00 0.00 34.13 33.28 1mjj s GLU 79 CO 0.52 -0.35 1.68 0.00 0.95 0.00 0.00 175.26 178.07 1mjj h ALA 80 N 2.30 1.17 0.00 -0.84 0.00 -1.83 -1.36 119.26 118.69 1mjj h ALA 80 Ca -0.37 0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1mjj h ALA 80 Cb 1.25 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1mjj h ALA 80 CO 0.58 -0.36 0.00 1.05 0.00 0.00 0.00 179.25 180.52 1mjj h GLU 81 N 0.30 0.00 0.00 0.00 4.11 -1.76 -2.38 114.58 114.86 1mjj h GLU 81 Ca 0.49 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.92 1mjj h GLU 81 Cb 0.89 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1mjj h GLU 81 CO -0.55 0.00 -0.08 -0.25 0.07 0.00 0.00 179.01 178.20 1mjj n ASP 82 N -2.55 0.14 -4.75 3.06 10.43 -0.51 -4.88 116.55 117.48 1mjj n ASP 82 Ca -0.00 0.40 -0.41 0.00 2.57 0.00 0.00 54.79 57.34 1mjj n ASP 82 Cb 0.14 -0.41 -0.02 0.00 1.84 0.00 0.00 41.12 42.67 1mjj n ASP 82 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 1mjj s VAL 83 N -3.01 2.77 -4.97 2.53 -7.23 -0.90 -4.87 120.40 104.72 1mjj s VAL 83 Ca 0.13 0.67 0.00 0.00 -1.81 0.00 0.00 61.98 60.97 1mjj s VAL 83 Cb 0.18 -3.43 0.00 0.00 0.56 0.00 0.00 36.38 33.69 1mjj s VAL 83 CO 0.56 0.12 0.00 0.61 -0.31 0.00 0.00 175.10 176.08 1mjj n GLY 84 N 1.85 -0.83 3.43 2.32 0.00 -1.25 -4.80 105.19 105.92 1mjj n GLY 84 Ca 0.05 -1.16 -0.34 0.00 0.00 0.00 0.00 46.02 44.57 1mjj n GLY 84 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mjj s VAL 85 N -3.00 3.56 -0.17 1.61 1.01 -0.27 -0.41 120.40 122.72 1mjj s VAL 85 Ca 0.00 -0.47 -0.09 0.00 0.00 0.00 0.00 61.98 61.42 1mjj s VAL 85 Cb 0.00 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.78 1mjj s VAL 85 CO 0.00 0.49 0.14 -0.31 0.00 0.00 0.00 175.10 175.42 1mjj s TYR 86 N 0.52 3.47 -0.02 5.22 1.51 0.93 -0.35 117.35 128.63 1mjj s TYR 86 Ca -0.05 0.40 0.05 0.00 -1.01 0.00 0.00 57.07 56.46 1mjj s TYR 86 Cb -0.15 -2.10 -0.01 0.00 -0.11 0.00 0.00 41.96 39.59 1mjj s TYR 86 CO 0.03 0.43 -0.16 0.71 -1.11 0.00 0.00 175.55 175.45 1mjj s TYR 87 N -0.07 1.48 0.18 2.71 1.51 -0.23 -0.45 117.35 122.48 1mjj s TYR 87 Ca 0.10 -0.31 0.05 0.00 -1.01 0.00 0.00 57.07 55.91 1mjj s TYR 87 Cb -0.11 -0.97 -0.04 0.00 -0.11 0.00 0.00 41.96 40.73 1mjj s TYR 87 CO 0.00 -0.05 0.14 0.00 -1.11 0.00 0.00 175.55 174.53 1mjj s LEU 89 N -3.22 0.45 -0.10 0.00 2.96 -0.71 -0.63 118.68 117.43 1mjj s LEU 89 Ca 0.31 0.62 -0.05 0.00 -0.22 0.00 0.00 54.13 54.80 1mjj s LEU 89 Cb -0.10 0.94 -0.04 0.00 0.50 0.00 0.00 46.19 47.50 1mjj s LEU 89 CO 0.23 -0.15 0.07 0.00 -1.32 0.00 0.00 176.35 175.19 1mjj s GLN 90 N 0.96 3.23 -0.15 1.98 1.03 -0.75 -0.73 119.66 125.24 1mjj s GLN 90 Ca -0.07 -0.26 0.19 0.00 0.04 0.00 0.00 55.36 55.26 1mjj s GLN 90 Cb -0.07 -3.00 0.44 0.00 0.03 0.00 0.00 33.01 30.41 1mjj s GLN 90 CO -0.07 0.74 1.18 -2.39 -2.54 0.00 0.00 175.29 172.21 1mjj n HIS 91 N 2.08 0.58 0.04 9.60 1.44 -0.92 -3.39 115.22 124.65 1mjj n HIS 91 Ca -0.19 -1.31 -0.20 0.00 -2.01 0.00 0.00 57.72 54.01 1mjj n HIS 91 Cb 0.54 -0.22 -0.13 0.00 0.12 0.00 0.00 29.99 30.31 1mjj n HIS 91 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 1mjj h LEU 92 N 1.43 0.62 -8.16 2.39 5.85 -1.95 -3.47 115.31 112.02 1mjj h LEU 92 Ca -0.07 -0.84 -0.23 0.00 0.84 0.00 0.00 57.88 57.58 1mjj h LEU 92 Cb 1.48 -0.19 -0.20 0.00 0.37 0.00 0.00 40.66 42.11 1mjj h LEU 92 CO 0.17 1.39 -0.72 -1.61 -0.34 0.00 0.00 178.44 177.34 1mjj s GLU 93 N -2.89 0.52 0.19 1.25 2.02 -1.26 -5.13 118.70 113.40 1mjj s GLU 93 Ca -0.12 -0.83 -0.22 0.00 0.02 0.00 0.00 54.97 53.82 1mjj s GLU 93 Cb 0.03 -0.14 -0.08 0.00 0.10 0.00 0.00 34.13 34.04 1mjj s GLU 93 CO 0.86 0.00 0.73 0.71 0.02 0.00 0.00 175.26 177.59 1mjj s TYR 94 N -1.88 3.76 0.38 1.61 2.02 -1.26 -3.45 117.35 118.52 1mjj s TYR 94 Ca -0.07 1.47 -0.23 0.00 -0.37 0.00 0.00 57.07 57.87 1mjj s TYR 94 Cb -0.07 -2.67 -0.10 0.00 -0.40 0.00 0.00 41.96 38.72 1mjj s TYR 94 CO -0.01 0.42 0.95 -1.25 -1.57 0.00 0.00 175.55 174.09 1mjj s PRO 95 N -1.60 4.39 0.40 -1.71 0.04 -1.26 -4.95 135.00 130.32 1mjj s PRO 95 Ca 0.39 1.22 -0.26 0.00 0.04 0.00 0.00 61.00 62.38 1mjj s PRO 95 Cb -0.19 -2.47 -0.09 0.00 0.04 0.00 0.00 34.50 31.79 1mjj s PRO 95 CO 0.23 0.11 1.36 -0.06 0.04 0.00 0.00 177.00 178.68 1mjj s PHE 96 N -1.92 2.73 -0.02 0.56 0.08 -1.22 -4.73 117.98 113.45 1mjj s PHE 96 Ca 0.57 1.34 0.02 0.00 0.12 0.00 0.00 56.93 58.98 1mjj s PHE 96 Cb -0.13 -3.78 0.01 0.00 -0.57 0.00 0.00 43.02 38.54 1mjj s PHE 96 CO 0.18 -2.38 -0.06 0.95 -0.10 0.00 0.00 175.22 173.81 1mjj s THR 97 N -1.21 0.52 0.18 0.64 -4.23 -1.22 -5.02 115.64 105.30 1mjj s THR 97 Ca 0.56 -0.22 0.03 0.00 -1.18 0.00 0.00 61.69 60.88 1mjj s THR 97 Cb -0.41 -0.48 -0.03 0.00 1.34 0.00 0.00 72.50 72.92 1mjj s THR 97 CO 0.53 0.17 0.31 -0.36 -0.54 0.00 0.00 174.62 174.74 1mjj s PHE 98 N 0.24 3.48 0.66 3.99 0.40 -1.26 -1.81 117.98 123.67 1mjj s PHE 98 Ca -0.03 0.09 -0.10 0.00 -0.60 0.00 0.00 56.93 56.30 1mjj s PHE 98 Cb -0.07 -1.65 0.01 0.00 0.51 0.00 0.00 43.02 41.82 1mjj s PHE 98 CO -0.00 0.49 1.03 0.20 0.70 0.00 0.00 175.22 177.63 1mjj s GLY 99 N -3.44 1.62 0.11 4.36 0.00 0.20 -4.60 107.32 105.56 1mjj s GLY 99 Ca 0.35 -0.45 0.17 0.00 0.00 0.00 0.00 44.72 44.78 1mjj s GLY 99 CO 0.29 -0.12 1.52 0.00 0.00 0.00 0.00 173.10 174.79 1mjj n ALA 100 N -2.85 1.57 0.00 3.20 0.00 -1.26 -4.66 120.51 116.52 1mjj n ALA 100 Ca 0.06 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1mjj n ALA 100 Cb 0.57 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1mjj n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mjj n GLY 101 N -0.20 0.51 2.89 0.00 0.00 -1.26 -5.04 105.19 102.09 1mjj n GLY 101 Ca 0.02 -1.59 -0.25 0.00 0.00 0.00 0.00 46.02 44.21 1mjj n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mjj s THR 102 N -2.68 0.81 0.00 2.61 2.01 0.41 -4.56 115.64 114.24 1mjj s THR 102 Ca 0.00 -0.19 -0.22 0.00 0.31 0.00 0.00 61.69 61.59 1mjj s THR 102 Cb 0.00 -0.85 -0.05 0.00 0.01 0.00 0.00 72.50 71.61 1mjj s THR 102 CO 0.00 0.32 0.65 -0.75 -0.69 0.00 0.00 174.62 174.15 1mjj s LYS 103 N 1.52 4.38 -0.23 4.92 2.20 -0.28 -0.05 119.74 132.20 1mjj s LYS 103 Ca 0.00 0.83 -0.11 0.00 -0.36 0.00 0.00 55.97 56.33 1mjj s LYS 103 Cb -0.13 -3.36 -0.05 0.00 -1.51 0.00 0.00 37.83 32.79 1mjj s LYS 103 CO -0.05 0.32 0.19 -1.17 -0.36 0.00 0.00 175.35 174.29 1mjj s LEU 104 N -0.09 4.12 -0.09 5.43 2.96 0.45 -0.66 118.68 130.81 1mjj s LEU 104 Ca 0.33 0.17 0.03 0.00 -0.22 0.00 0.00 54.13 54.45 1mjj s LEU 104 Cb -0.19 -2.16 -0.01 0.00 0.50 0.00 0.00 46.19 44.32 1mjj s LEU 104 CO 0.19 0.05 -0.19 -1.61 -1.32 0.00 0.00 176.35 173.47 1mjj s GLU 105 N 1.07 2.92 -0.42 1.98 0.41 -0.28 -3.78 118.70 120.60 1mjj s GLU 105 Ca 0.09 -0.78 -0.16 0.00 -0.41 0.00 0.00 54.97 53.71 1mjj s GLU 105 Cb -0.14 -2.39 0.02 0.00 -1.78 0.00 0.00 34.13 29.85 1mjj s GLU 105 CO 0.05 0.34 0.38 -0.51 -0.49 0.00 0.00 175.26 175.03 1mjj s LEU 106 N -0.01 5.00 -1.22 1.80 2.01 -1.26 -2.03 118.68 122.96 1mjj s LEU 106 Ca -0.06 -0.80 -0.18 0.00 0.01 0.00 0.00 54.13 53.11 1mjj s LEU 106 Cb -0.15 -2.29 0.09 0.00 0.01 0.00 0.00 46.19 43.86 1mjj s LEU 106 CO 0.05 -0.54 1.59 -0.54 1.01 0.00 0.00 176.35 177.92 1mjj s LYS 107 N 1.94 3.93 0.47 1.70 1.02 0.52 -4.91 119.74 124.42 1mjj s LYS 107 Ca 0.09 -2.00 -0.07 0.00 0.02 0.00 0.00 55.97 54.01 1mjj s LYS 107 Cb -0.18 -5.37 0.11 0.00 -0.52 0.00 0.00 37.83 31.87 1mjj s LYS 107 CO 0.12 -2.11 0.64 2.89 -0.92 0.00 0.00 175.35 175.97 1mjj n ARG 108 N 7.72 -0.51 -2.52 1.68 1.85 -1.26 -4.30 116.66 119.32 1mjj n ARG 108 Ca 0.42 -1.08 -0.33 0.00 -1.00 0.00 0.00 57.85 55.86 1mjj n ARG 108 Cb 0.46 -0.63 -0.04 0.00 -1.05 0.00 0.00 32.46 31.21 1mjj n ARG 108 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1mjj s ALA 109 N -3.83 2.92 0.65 2.89 0.00 -1.26 -4.99 121.76 118.14 1mjj s ALA 109 Ca 0.37 0.47 -0.17 0.00 0.00 0.00 0.00 51.96 52.63 1mjj s ALA 109 Cb -0.01 -3.21 -0.01 0.00 0.00 0.00 0.00 23.12 19.89 1mjj s ALA 109 CO 0.26 -0.27 1.23 -0.51 0.00 0.00 0.00 175.76 176.47 1mjj s ASP 110 N -2.28 4.71 -0.19 0.00 1.01 -1.26 -4.72 116.67 113.94 1mjj s ASP 110 Ca 0.64 2.44 -0.17 0.00 0.71 0.00 0.00 52.55 56.17 1mjj s ASP 110 Cb -0.14 -2.60 0.05 0.00 1.01 0.00 0.00 42.92 41.24 1mjj s ASP 110 CO 0.22 -1.92 0.50 0.00 0.21 0.00 0.00 175.17 174.19 1mjj s ALA 111 N -1.67 -1.26 0.44 5.23 0.00 0.11 -4.86 121.76 119.76 1mjj s ALA 111 Ca 0.78 1.46 -0.18 0.00 0.00 0.00 0.00 51.96 54.02 1mjj s ALA 111 Cb -0.32 -0.85 -0.10 0.00 0.00 0.00 0.00 23.12 21.85 1mjj s ALA 111 CO 0.39 -0.24 0.93 0.00 0.00 0.00 0.00 175.76 176.83 1mjj s ALA 112 N 0.38 3.10 0.44 0.00 0.00 -1.26 -1.25 121.76 123.16 1mjj s ALA 112 Ca -0.01 0.26 -0.22 0.00 0.00 0.00 0.00 51.96 51.99 1mjj s ALA 112 Cb -0.04 -3.07 -0.09 0.00 0.00 0.00 0.00 23.12 19.92 1mjj s ALA 112 CO -0.01 0.03 1.02 -1.25 0.00 0.00 0.00 175.76 175.56 1mjj s PRO 113 N -3.47 4.04 -0.30 0.00 0.04 -1.26 -4.43 135.00 129.61 1mjj s PRO 113 Ca 0.60 1.38 -0.11 0.00 0.04 0.00 0.00 61.00 62.91 1mjj s PRO 113 Cb -0.09 -2.31 -0.02 0.00 0.04 0.00 0.00 34.50 32.11 1mjj s PRO 113 CO 0.20 -0.23 0.18 0.99 0.04 0.00 0.00 177.00 178.18 1mjj s THR 114 N -1.87 4.95 -0.10 1.26 2.01 -0.19 -4.85 115.64 116.86 1mjj s THR 114 Ca 0.62 -0.17 -0.05 0.00 0.31 0.00 0.00 61.69 62.41 1mjj s THR 114 Cb -0.18 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 1mjj s THR 114 CO 0.22 0.13 0.09 -0.69 -0.69 0.00 0.00 174.62 173.68 1mjj s VAL 115 N 1.69 5.05 -0.02 3.82 1.01 -1.26 -0.94 120.40 129.75 1mjj s VAL 115 Ca 0.06 0.00 0.01 0.00 0.00 0.00 0.00 61.98 62.05 1mjj s VAL 115 Cb -0.17 -3.19 0.02 0.00 0.00 0.00 0.00 36.38 33.04 1mjj s VAL 115 CO 0.08 0.59 -0.02 -0.44 0.00 0.00 0.00 175.10 175.31 1mjj s SER 116 N -1.07 0.54 0.08 3.32 0.01 -0.62 -4.92 113.70 111.05 1mjj s SER 116 Ca 0.15 -0.06 0.06 0.00 1.31 0.00 0.00 55.95 57.41 1mjj s SER 116 Cb -0.12 -0.22 -0.04 0.00 0.21 0.00 0.00 66.02 65.85 1mjj s SER 116 CO 0.05 -0.04 -0.07 -0.51 0.41 0.00 0.00 173.24 173.07 1mjj s ILE 117 N 0.66 3.54 -0.05 1.44 2.07 -1.26 -0.87 121.20 126.73 1mjj s ILE 117 Ca -0.07 -1.11 -0.01 0.00 -1.41 0.00 0.00 60.65 58.05 1mjj s ILE 117 Cb -0.10 -2.64 0.03 0.00 0.13 0.00 0.00 42.46 39.88 1mjj s ILE 117 CO -0.01 0.18 0.01 -0.36 -1.91 0.00 0.00 174.94 172.85 1mjj s PHE 118 N -1.18 0.42 0.95 3.50 0.40 0.23 -4.98 117.98 117.33 1mjj s PHE 118 Ca 0.21 -0.02 -0.12 0.00 -0.60 0.00 0.00 56.93 56.40 1mjj s PHE 118 Cb -0.11 -0.61 0.16 0.00 0.51 0.00 0.00 43.02 42.97 1mjj s PHE 118 CO 0.13 -0.23 1.11 -2.14 0.70 0.00 0.00 175.22 174.79 1mjj s PRO 119 N 1.71 0.81 0.55 0.24 0.02 -1.26 -1.45 135.00 135.62 1mjj s PRO 119 Ca 0.00 0.45 -0.22 0.00 0.02 0.00 0.00 61.00 61.26 1mjj s PRO 119 Cb -0.13 -1.79 -0.05 0.00 0.02 0.00 0.00 34.50 32.56 1mjj s PRO 119 CO -0.03 -2.46 1.37 -2.14 -0.33 0.00 0.00 177.00 173.40 1mjj s PRO 120 N -5.09 3.12 0.49 5.54 0.02 -1.19 -4.80 135.00 133.10 1mjj s PRO 120 Ca 0.64 2.25 -0.19 0.00 0.02 0.00 0.00 61.00 63.73 1mjj s PRO 120 Cb -0.17 -2.25 -0.09 0.00 0.02 0.00 0.00 34.50 32.01 1mjj s PRO 120 CO 0.56 -1.21 0.99 -1.54 -0.33 0.00 0.00 177.00 175.47 1mjj s SER 121 N -0.94 6.56 0.33 2.53 1.04 -1.26 -4.92 113.70 117.04 1mjj s SER 121 Ca 0.72 1.73 0.01 0.00 0.48 0.00 0.00 55.95 58.89 1mjj s SER 121 Cb -0.41 -2.54 0.58 0.00 0.10 0.00 0.00 66.02 63.76 1mjj s SER 121 CO 0.48 -0.63 1.97 0.77 0.98 0.00 0.00 173.24 176.82 1mjj h SER 122 N 1.36 0.74 -0.20 7.02 4.64 -1.99 -1.84 113.55 123.29 1mjj h SER 122 Ca -0.48 -0.04 0.03 0.00 -0.47 0.00 0.00 61.79 60.83 1mjj h SER 122 Cb 1.20 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 63.07 1mjj h SER 122 CO 0.60 0.58 0.02 -0.33 -0.87 0.00 0.00 176.83 176.83 1mjj h GLU 123 N 0.86 0.09 -0.40 4.77 3.07 -2.00 -1.11 114.58 119.87 1mjj h GLU 123 Ca 0.22 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.06 1mjj h GLU 123 Cb -0.02 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 1mjj h GLU 123 CO -0.04 0.06 0.17 0.37 -1.40 0.00 0.00 179.01 178.17 1mjj h GLN 124 N 0.09 0.58 -0.40 2.33 4.15 -1.76 -1.20 115.11 118.90 1mjj h GLN 124 Ca 0.09 -0.10 0.03 0.00 0.77 0.00 0.00 58.65 59.44 1mjj h GLN 124 Cb 0.10 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 1mjj h GLN 124 CO -0.14 0.53 0.20 -0.07 -1.93 0.00 0.00 178.83 177.43 1mjj h LEU 125 N 0.50 0.29 -1.13 -2.39 3.38 -1.16 0.09 115.31 114.90 1mjj h LEU 125 Ca 0.13 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.16 1mjj h LEU 125 Cb 0.16 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 1mjj h LEU 125 CO -0.01 0.21 0.59 0.74 0.09 0.00 0.00 178.44 180.06 1mjj h THR 126 N 0.41 1.16 0.00 0.22 2.02 -1.05 -0.47 112.91 115.20 1mjj h THR 126 Ca 0.17 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.96 1mjj h THR 126 Cb 0.08 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 1mjj h THR 126 CO -0.12 0.21 0.00 -1.28 0.37 0.00 0.00 175.52 174.70 1mjj h SER 127 N 1.14 0.00 0.00 4.18 0.87 0.24 -3.47 113.55 116.52 1mjj h SER 127 Ca 0.35 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.91 1mjj h SER 127 Cb -0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1mjj h SER 127 CO -0.10 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 176.81 1mjj n GLY 128 N -0.61 1.84 3.80 5.77 0.00 -0.18 -5.07 105.19 110.74 1mjj n GLY 128 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 1mjj n GLY 128 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1mjj s GLY 129 N -2.21 2.66 -0.19 -0.02 0.00 -1.10 -2.95 107.32 103.51 1mjj s GLY 129 Ca 0.00 -1.06 -0.04 0.00 0.00 0.00 0.00 44.72 43.62 1mjj s GLY 129 CO 0.00 -2.06 0.28 0.00 0.00 0.00 0.00 173.10 171.33 1mjj s ALA 130 N -2.79 -0.61 -0.08 3.20 0.00 -0.69 -3.24 121.76 117.55 1mjj s ALA 130 Ca 0.23 0.68 0.02 0.00 0.00 0.00 0.00 51.96 52.89 1mjj s ALA 130 Cb 0.01 -1.33 -0.02 0.00 0.00 0.00 0.00 23.12 21.78 1mjj s ALA 130 CO 0.13 -1.04 -0.15 -1.12 0.00 0.00 0.00 175.76 173.58 1mjj s SER 131 N 2.42 3.91 -0.16 0.00 0.01 -1.26 0.35 113.70 118.98 1mjj s SER 131 Ca 0.06 -0.29 -0.02 0.00 1.31 0.00 0.00 55.95 57.02 1mjj s SER 131 Cb -0.14 -1.16 -0.02 0.00 0.21 0.00 0.00 66.02 64.91 1mjj s SER 131 CO -0.12 0.26 -0.08 -0.69 0.41 0.00 0.00 173.24 173.02 1mjj s VAL 132 N -0.22 3.42 -0.04 3.43 1.01 0.17 -3.14 120.40 125.04 1mjj s VAL 132 Ca 0.00 -0.52 0.04 0.00 0.00 0.00 0.00 61.98 61.50 1mjj s VAL 132 Cb -0.13 -2.49 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1mjj s VAL 132 CO 0.03 0.49 -0.13 -0.69 0.00 0.00 0.00 175.10 174.80 1mjj s VAL 133 N 0.60 3.16 -0.04 2.92 1.01 -0.53 -0.17 120.40 127.35 1mjj s VAL 133 Ca -0.05 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.21 1mjj s VAL 133 Cb -0.15 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 33.98 1mjj s VAL 133 CO 0.03 0.55 -0.09 0.00 0.00 0.00 0.00 175.10 175.59 1mjj s PHE 135 N 0.57 3.01 -0.45 0.00 0.08 -0.04 -1.11 117.98 120.04 1mjj s PHE 135 Ca -0.10 -0.29 -0.04 0.00 0.12 0.00 0.00 56.93 56.62 1mjj s PHE 135 Cb -0.13 -1.94 0.12 0.00 -0.57 0.00 0.00 43.02 40.50 1mjj s PHE 135 CO 0.02 -0.01 0.27 -0.51 -0.10 0.00 0.00 175.22 174.88 1mjj s LEU 136 N 0.27 5.38 0.12 -0.37 1.02 0.22 -1.59 118.68 123.73 1mjj s LEU 136 Ca -0.03 -2.10 0.04 0.00 0.02 0.00 0.00 54.13 52.06 1mjj s LEU 136 Cb -0.14 -1.88 -0.04 0.00 0.02 0.00 0.00 46.19 44.15 1mjj s LEU 136 CO 0.03 -0.56 0.10 0.20 0.02 0.00 0.00 176.35 176.13 1mjj s ASN 137 N 1.92 5.45 -1.19 2.29 0.01 -0.11 0.07 114.94 123.37 1mjj s ASN 137 Ca 0.09 -0.10 -0.27 0.00 -0.71 0.00 0.00 52.86 51.87 1mjj s ASN 137 Cb -0.23 -1.42 0.02 0.00 0.41 0.00 0.00 41.25 40.03 1mjj s ASN 137 CO -0.03 0.12 0.71 0.59 -1.51 0.00 0.00 177.10 176.98 1mjj n ASN 138 N 0.06 -4.47 -4.61 -1.22 4.13 -1.10 -1.02 115.26 107.04 1mjj n ASN 138 Ca -0.09 -1.16 -0.26 0.00 1.68 0.00 0.00 54.58 54.76 1mjj n ASN 138 Cb 0.53 -2.52 -0.10 0.00 -1.54 0.00 0.00 39.78 36.16 1mjj n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 1mjj s PHE 139 N -3.53 2.50 -0.28 3.10 -0.12 0.13 -4.61 117.98 115.16 1mjj s PHE 139 Ca 0.46 -0.51 -0.22 0.00 -0.05 0.00 0.00 56.93 56.62 1mjj s PHE 139 Cb -0.21 -1.53 0.09 0.00 -0.63 0.00 0.00 43.02 40.73 1mjj s PHE 139 CO 0.92 0.49 0.80 -0.47 -0.05 0.00 0.00 175.22 176.90 1mjj s TYR 140 N -2.59 -0.79 0.96 3.49 5.04 -0.38 -0.94 117.35 122.15 1mjj s TYR 140 Ca 0.34 1.76 -0.16 0.00 -2.44 0.00 0.00 57.07 56.57 1mjj s TYR 140 Cb 0.03 0.40 0.23 0.00 0.35 0.00 0.00 41.96 42.97 1mjj s TYR 140 CO 0.18 -0.38 0.95 -0.35 -1.34 0.00 0.00 175.55 174.61 1mjj n PRO 141 N 3.16 -2.32 -0.14 4.97 -0.04 -1.26 -0.71 135.00 138.66 1mjj n PRO 141 Ca -0.16 -1.51 -0.01 0.00 -0.04 0.00 0.00 63.50 61.78 1mjj n PRO 141 Cb 0.57 -1.29 0.23 0.00 -0.04 0.00 0.00 33.50 32.97 1mjj n PRO 141 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1mjj h LYS 142 N 0.00 0.84 -6.79 0.54 3.64 -1.98 -3.44 116.57 109.37 1mjj h LYS 142 Ca -0.34 -0.12 -0.53 0.00 -1.27 0.00 0.00 60.65 58.39 1mjj h LYS 142 Cb 1.02 -0.15 0.07 0.00 -0.41 0.00 0.00 32.23 32.76 1mjj h LYS 142 CO 0.23 0.67 0.81 -0.51 -2.27 0.00 0.00 179.45 178.38 1mjj s ASP 143 N -6.53 6.51 0.00 4.20 1.11 -1.26 -4.99 116.67 115.71 1mjj s ASP 143 Ca -0.10 2.82 -0.28 0.00 0.18 0.00 0.00 52.55 55.17 1mjj s ASP 143 Cb 0.16 -2.63 0.09 0.00 1.07 0.00 0.00 42.92 41.61 1mjj s ASP 143 CO 0.79 -0.80 0.81 -0.51 1.18 0.00 0.00 175.17 176.63 1mjj s ILE 144 N -0.13 0.00 0.02 0.77 2.07 -1.26 -4.66 121.20 118.01 1mjj s ILE 144 Ca 0.60 0.00 0.04 0.00 -1.41 0.00 0.00 60.65 59.88 1mjj s ILE 144 Cb -0.45 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.13 1mjj s ILE 144 CO 0.47 0.00 -0.11 0.20 -1.91 0.00 0.00 174.94 173.59 1mjj s ASN 145 N -2.11 1.27 -0.04 4.50 0.01 -0.71 -5.00 114.94 112.86 1mjj s ASN 145 Ca 0.00 -0.37 0.04 0.00 -0.71 0.00 0.00 52.86 51.83 1mjj s ASN 145 Cb -0.01 -0.08 -0.00 0.00 0.41 0.00 0.00 41.25 41.57 1mjj s ASN 145 CO -0.05 0.01 -0.17 -0.69 -1.51 0.00 0.00 177.10 174.69 1mjj s VAL 146 N -0.73 1.39 -0.05 1.60 1.01 -1.26 -1.53 120.40 120.83 1mjj s VAL 146 Ca -0.00 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.35 1mjj s VAL 146 Cb -0.07 -1.20 -0.01 0.00 0.00 0.00 0.00 36.38 35.11 1mjj s VAL 146 CO 0.01 0.40 -0.24 -0.75 0.00 0.00 0.00 175.10 174.52 1mjj s LYS 147 N 0.05 2.32 -0.05 2.72 2.20 -0.34 -4.95 119.74 121.69 1mjj s LYS 147 Ca -0.04 -0.85 0.00 0.00 -0.36 0.00 0.00 55.97 54.72 1mjj s LYS 147 Cb -0.11 -2.02 -0.03 0.00 -1.51 0.00 0.00 37.83 34.15 1mjj s LYS 147 CO 0.02 0.39 -0.03 -1.58 -0.36 0.00 0.00 175.35 173.79 1mjj s TRP 148 N -0.21 3.04 -0.04 4.03 0.52 -1.26 -0.59 118.94 124.42 1mjj s TRP 148 Ca -0.01 0.08 0.01 0.00 0.02 0.00 0.00 56.10 56.20 1mjj s TRP 148 Cb -0.13 -1.71 0.02 0.00 -1.15 0.00 0.00 33.47 30.50 1mjj s TRP 148 CO 0.03 0.41 -0.05 0.15 0.02 0.00 0.00 176.95 177.51 1mjj s LYS 149 N -1.11 0.84 -0.22 4.98 1.02 -0.31 -0.66 119.74 124.28 1mjj s LYS 149 Ca 0.15 -0.13 -0.04 0.00 0.02 0.00 0.00 55.97 55.97 1mjj s LYS 149 Cb -0.11 -0.82 -0.01 0.00 -0.52 0.00 0.00 37.83 36.37 1mjj s LYS 149 CO 0.05 -0.05 -0.03 0.42 -0.92 0.00 0.00 175.35 174.82 1mjj s ILE 150 N 0.77 3.42 -1.48 2.17 1.01 0.13 -1.78 121.20 125.45 1mjj s ILE 150 Ca -0.11 -0.49 -0.09 0.00 0.00 0.00 0.00 60.65 59.96 1mjj s ILE 150 Cb -0.13 -2.57 0.06 0.00 0.01 0.00 0.00 42.46 39.83 1mjj s ILE 150 CO 0.00 0.41 0.83 0.47 0.00 0.00 0.00 174.94 176.65 1mjj n ASP 151 N 4.80 -3.18 0.00 3.58 10.43 0.19 -1.34 116.55 131.03 1mjj n ASP 151 Ca -0.18 -0.84 0.00 0.00 2.57 0.00 0.00 54.79 56.34 1mjj n ASP 151 Cb 0.51 -3.73 0.00 0.00 1.84 0.00 0.00 41.12 39.74 1mjj n ASP 151 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1mjj n GLY 152 N -1.67 2.98 3.87 0.44 0.00 -1.26 -5.00 105.19 104.55 1mjj n GLY 152 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 1mjj n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1mjj s SER 153 N -2.66 6.33 0.23 1.61 0.01 -0.45 -4.98 113.70 113.79 1mjj s SER 153 Ca 0.00 0.45 -0.30 0.00 1.31 0.00 0.00 55.95 57.41 1mjj s SER 153 Cb 0.00 -2.04 -0.10 0.00 0.21 0.00 0.00 66.02 64.09 1mjj s SER 153 CO 0.00 0.40 1.42 -0.70 0.41 0.00 0.00 173.24 174.77 1mjj s GLU 154 N -0.98 4.29 -0.12 12.44 2.12 -1.26 0.19 118.70 135.38 1mjj s GLU 154 Ca 0.15 2.25 0.01 0.00 0.36 0.00 0.00 54.97 57.74 1mjj s GLU 154 Cb -0.12 -3.13 -0.01 0.00 0.26 0.00 0.00 34.13 31.13 1mjj s GLU 154 CO 0.04 -0.39 -0.18 0.50 -0.54 0.00 0.00 175.26 174.69 1mjj s ARG 155 N -0.24 3.24 -0.03 4.30 6.06 0.17 -4.86 118.95 127.58 1mjj s ARG 155 Ca 0.59 -0.77 0.02 0.00 -2.50 0.00 0.00 55.73 53.07 1mjj s ARG 155 Cb -0.41 -2.50 -0.03 0.00 0.06 0.00 0.00 34.95 32.07 1mjj s ARG 155 CO 0.42 0.18 -0.01 1.04 -2.50 0.00 0.00 175.30 174.43 1mjj n GLN 156 N 3.59 2.26 -2.82 5.12 6.02 -1.26 -4.22 117.38 126.06 1mjj n GLN 156 Ca -0.19 0.01 -0.34 0.00 -0.01 0.00 0.00 57.00 56.47 1mjj n GLN 156 Cb 0.53 -1.07 -0.07 0.00 1.02 0.00 0.00 30.24 30.65 1mjj n GLN 156 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1mjj s ASN 157 N -3.71 7.06 0.00 1.08 2.20 -1.26 -3.59 114.94 116.72 1mjj s ASN 157 Ca -0.03 1.72 0.00 0.00 -0.94 0.00 0.00 52.86 53.62 1mjj s ASN 157 Cb 0.01 -2.55 0.00 0.00 -2.00 0.00 0.00 41.25 36.71 1mjj s ASN 157 CO 0.10 -0.27 0.00 0.61 -2.94 0.00 0.00 177.10 174.60 1mjj n GLY 158 N -0.26 0.76 3.83 0.45 0.00 -1.26 -4.80 105.19 103.90 1mjj n GLY 158 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1mjj n GLY 158 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1mjj s VAL 159 N -2.29 4.98 -0.14 1.61 1.01 -1.24 0.05 120.40 124.38 1mjj s VAL 159 Ca 0.00 0.92 -0.03 0.00 0.00 0.00 0.00 61.98 62.87 1mjj s VAL 159 Cb 0.00 -3.75 0.05 0.00 0.00 0.00 0.00 36.38 32.68 1mjj s VAL 159 CO 0.00 0.57 0.04 -0.22 0.00 0.00 0.00 175.10 175.49 1mjj s LEU 160 N -1.04 0.70 0.06 3.92 1.98 -0.01 -4.96 118.68 119.35 1mjj s LEU 160 Ca 0.25 -0.45 0.06 0.00 -2.89 0.00 0.00 54.13 51.09 1mjj s LEU 160 Cb -0.17 -0.42 -0.04 0.00 0.66 0.00 0.00 46.19 46.22 1mjj s LEU 160 CO 0.14 -0.28 -0.10 0.20 -1.89 0.00 0.00 176.35 174.43 1mjj s ASN 161 N 1.99 4.38 -0.13 3.68 0.01 -1.26 -0.77 114.94 122.85 1mjj s ASN 161 Ca 0.02 -0.32 -0.07 0.00 -0.71 0.00 0.00 52.86 51.78 1mjj s ASN 161 Cb -0.15 -0.88 0.05 0.00 0.41 0.00 0.00 41.25 40.68 1mjj s ASN 161 CO -0.07 0.22 0.31 -0.55 -1.51 0.00 0.00 177.10 175.50 1mjj s SER 162 N -1.86 -0.35 -0.10 -1.22 0.15 -0.37 -4.98 113.70 104.98 1mjj s SER 162 Ca 0.19 0.65 -0.03 0.00 0.70 0.00 0.00 55.95 57.47 1mjj s SER 162 Cb -0.11 0.55 -0.03 0.00 -1.71 0.00 0.00 66.02 64.71 1mjj s SER 162 CO 0.11 -0.17 0.03 0.26 1.20 0.00 0.00 173.24 174.67 1mjj s TRP 163 N 1.19 3.24 0.84 3.44 0.51 -1.26 -0.85 118.94 126.05 1mjj s TRP 163 Ca -0.08 0.25 -0.11 0.00 -2.12 0.00 0.00 56.10 54.03 1mjj s TRP 163 Cb -0.09 -1.83 0.13 0.00 -0.81 0.00 0.00 33.47 30.87 1mjj s TRP 163 CO -0.09 0.51 1.19 0.95 -0.51 0.00 0.00 176.95 178.99 1mjj s THR 164 N -0.87 2.07 0.74 2.01 -4.23 -0.68 -5.01 115.64 109.68 1mjj s THR 164 Ca 0.13 -0.11 -0.07 0.00 -1.18 0.00 0.00 61.69 60.47 1mjj s THR 164 Cb -0.12 -2.96 0.10 0.00 1.34 0.00 0.00 72.50 70.86 1mjj s THR 164 CO 0.03 0.00 1.05 -1.81 -0.54 0.00 0.00 174.62 173.34 1mjj s ASP 165 N -4.70 4.45 0.24 3.99 1.01 -1.26 -4.68 116.67 115.71 1mjj s ASP 165 Ca 0.67 0.22 -0.31 0.00 0.71 0.00 0.00 52.55 53.83 1mjj s ASP 165 Cb -0.08 -0.72 -0.13 0.00 1.01 0.00 0.00 42.92 43.00 1mjj s ASP 165 CO 0.49 -1.82 1.47 0.00 0.21 0.00 0.00 175.17 175.52 1mjj n GLN 166 N -3.01 2.18 -1.74 8.23 6.02 -1.26 -4.74 117.38 123.05 1mjj n GLN 166 Ca 0.11 0.78 -0.42 0.00 -0.01 0.00 0.00 57.00 57.46 1mjj n GLN 166 Cb 0.60 -2.48 -0.01 0.00 1.02 0.00 0.00 30.24 29.37 1mjj n GLN 166 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1mjj n ASP 167 N 2.39 3.62 0.00 1.08 -0.08 0.18 -4.83 116.55 118.91 1mjj n ASP 167 Ca 0.12 1.18 0.05 0.00 -1.51 0.00 0.00 54.79 54.63 1mjj n ASP 167 Cb 0.32 -1.57 0.26 0.00 2.34 0.00 0.00 41.12 42.46 1mjj n ASP 167 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1mjj n SER 168 N 1.47 0.00 -0.02 1.67 3.41 -1.26 -1.36 113.62 117.52 1mjj n SER 168 Ca 0.06 0.35 -0.03 0.00 -0.26 0.00 0.00 58.87 59.00 1mjj n SER 168 Cb 0.37 -0.42 -0.02 0.00 -0.26 0.00 0.00 64.21 63.88 1mjj n SER 168 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1mjj n LYS 169 N -1.42 1.52 0.00 4.33 5.02 -1.26 -2.18 118.16 124.17 1mjj n LYS 169 Ca 0.04 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1mjj n LYS 169 Cb 0.11 -1.09 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 1mjj n LYS 169 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1mjj n ASP 170 N -2.42 1.31 -0.64 4.39 3.85 -1.24 -4.68 116.55 117.13 1mjj n ASP 170 Ca -0.07 -1.53 -0.08 0.00 -0.71 0.00 0.00 54.79 52.41 1mjj n ASP 170 Cb 0.60 0.00 -0.03 0.00 -1.35 0.00 0.00 41.12 40.33 1mjj n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.01 0.00 0.00 177.20 174.99 1mjj n SER 171 N -0.26 -5.15 -4.67 -1.12 7.64 -0.47 -4.90 113.62 104.68 1mjj n SER 171 Ca 0.00 0.19 -0.28 0.00 1.01 0.00 0.00 58.87 59.79 1mjj n SER 171 Cb 0.22 -3.67 0.11 0.00 -1.01 0.00 0.00 64.21 59.87 1mjj n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1mjj s THR 172 N -1.58 2.10 0.26 0.44 -4.23 -1.26 -4.26 115.64 107.11 1mjj s THR 172 Ca 0.00 -0.14 0.11 0.00 -1.18 0.00 0.00 61.69 60.48 1mjj s THR 172 Cb 0.00 -2.96 -0.05 0.00 1.34 0.00 0.00 72.50 70.84 1mjj s THR 172 CO 0.00 0.00 -0.11 -0.31 -0.54 0.00 0.00 174.62 173.66 1mjj s TYR 173 N -3.52 2.50 0.04 3.99 2.02 -0.12 0.52 117.35 122.78 1mjj s TYR 173 Ca 0.65 -0.28 -0.04 0.00 -0.37 0.00 0.00 57.07 57.04 1mjj s TYR 173 Cb -0.08 -1.10 -0.02 0.00 -0.40 0.00 0.00 41.96 40.35 1mjj s TYR 173 CO 0.48 0.66 0.06 -1.12 -1.57 0.00 0.00 175.55 174.06 1mjj s SER 174 N -3.52 0.26 0.00 2.29 0.01 -1.26 -0.70 113.70 110.78 1mjj s SER 174 Ca 0.30 -0.65 0.00 0.00 1.31 0.00 0.00 55.95 56.91 1mjj s SER 174 Cb -0.06 0.22 -0.00 0.00 0.21 0.00 0.00 66.02 66.38 1mjj s SER 174 CO 0.17 -0.53 -0.01 -0.32 0.41 0.00 0.00 173.24 172.97 1mjj s MET 175 N -2.90 0.07 -0.13 12.44 1.75 0.11 -1.68 119.30 128.96 1mjj s MET 175 Ca -0.02 -0.13 0.01 0.00 -1.25 0.00 0.00 55.69 54.29 1mjj s MET 175 Cb 0.01 0.02 -0.01 0.00 2.84 0.00 0.00 34.83 37.69 1mjj s MET 175 CO -0.06 -0.01 -0.15 0.45 -0.65 0.00 0.00 175.02 174.60 1mjj s SER 176 N -0.32 3.83 -0.14 1.11 0.15 -0.03 -0.61 113.70 117.68 1mjj s SER 176 Ca -0.03 -0.38 0.02 0.00 0.70 0.00 0.00 55.95 56.25 1mjj s SER 176 Cb -0.02 -1.57 0.01 0.00 -1.71 0.00 0.00 66.02 62.73 1mjj s SER 176 CO -0.00 0.16 -0.19 -0.55 1.20 0.00 0.00 173.24 173.86 1mjj s SER 177 N 0.37 2.88 -0.19 5.45 0.15 -0.27 -1.24 113.70 120.86 1mjj s SER 177 Ca -0.12 -0.55 -0.00 0.00 0.70 0.00 0.00 55.95 55.98 1mjj s SER 177 Cb -0.16 -1.32 0.01 0.00 -1.71 0.00 0.00 66.02 62.84 1mjj s SER 177 CO 0.06 0.03 -0.16 -0.89 1.20 0.00 0.00 173.24 173.48 1mjj s THR 178 N 1.05 2.40 -0.33 6.45 2.01 0.05 -0.78 115.64 126.49 1mjj s THR 178 Ca -0.03 -0.84 -0.13 0.00 0.31 0.00 0.00 61.69 61.01 1mjj s THR 178 Cb -0.14 -2.04 -0.02 0.00 0.01 0.00 0.00 72.50 70.30 1mjj s THR 178 CO -0.05 0.50 0.25 -0.22 -0.69 0.00 0.00 174.62 174.41 1mjj s LEU 179 N 1.34 4.40 -0.21 4.42 2.96 0.76 -0.83 118.68 131.52 1mjj s LEU 179 Ca 0.05 -0.30 -0.06 0.00 -0.22 0.00 0.00 54.13 53.59 1mjj s LEU 179 Cb -0.13 -2.16 -0.03 0.00 0.50 0.00 0.00 46.19 44.36 1mjj s LEU 179 CO -0.10 -0.21 0.04 -0.89 -1.32 0.00 0.00 176.35 173.87 1mjj s THR 180 N 1.77 4.27 0.40 3.68 2.01 0.11 0.46 115.64 128.33 1mjj s THR 180 Ca 0.07 -0.20 0.04 0.00 0.31 0.00 0.00 61.69 61.91 1mjj s THR 180 Cb -0.17 -2.95 -0.05 0.00 0.01 0.00 0.00 72.50 69.34 1mjj s THR 180 CO 0.11 0.40 0.06 -0.76 -0.69 0.00 0.00 174.62 173.73 1mjj s LEU 181 N 1.08 2.29 0.56 4.42 1.43 0.16 -4.61 118.68 124.01 1mjj s LEU 181 Ca 0.03 -1.51 -0.07 0.00 -1.03 0.00 0.00 54.13 51.56 1mjj s LEU 181 Cb -0.14 -0.48 -0.02 0.00 0.03 0.00 0.00 46.19 45.58 1mjj s LEU 181 CO 0.02 -0.71 0.89 0.42 0.23 0.00 0.00 176.35 177.20 1mjj s THR 182 N -3.08 4.35 0.15 5.49 -4.23 -1.26 -1.71 115.64 115.35 1mjj s THR 182 Ca 0.27 0.26 -0.15 0.00 -1.18 0.00 0.00 61.69 60.89 1mjj s THR 182 Cb 0.06 -3.70 0.02 0.00 1.34 0.00 0.00 72.50 70.22 1mjj s THR 182 CO 0.13 -0.75 1.74 0.50 -0.54 0.00 0.00 174.62 175.70 1mjj h LYS 183 N -0.06 0.63 -0.89 3.99 3.64 -1.76 -1.44 116.57 120.69 1mjj h LYS 183 Ca -0.46 -0.08 0.06 0.00 -1.27 0.00 0.00 60.65 58.90 1mjj h LYS 183 Cb 1.22 -0.12 -0.06 0.00 -0.41 0.00 0.00 32.23 32.86 1mjj h LYS 183 CO 0.61 0.52 0.56 -0.44 -2.27 0.00 0.00 179.45 178.43 1mjj h ASP 184 N 0.58 0.89 0.18 4.20 3.32 -1.93 0.29 116.42 123.94 1mjj h ASP 184 Ca 0.15 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 1mjj h ASP 184 Cb 0.08 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1mjj h ASP 184 CO -0.02 0.58 -0.08 -0.08 -1.72 0.00 0.00 179.24 177.91 1mjj h GLU 185 N 1.03 -0.23 -0.61 3.56 4.22 -1.86 -1.65 114.58 119.05 1mjj h GLU 185 Ca 0.38 0.02 0.07 0.00 0.08 0.00 0.00 59.36 59.91 1mjj h GLU 185 Cb 0.14 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.38 1mjj h GLU 185 CO -0.16 -0.10 0.29 -0.92 -2.18 0.00 0.00 179.01 175.93 1mjj h TYR 186 N -0.30 0.53 0.00 0.92 3.20 -0.33 -0.86 116.97 120.13 1mjj h TYR 186 Ca -0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1mjj h TYR 186 Cb 0.23 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.35 1mjj h TYR 186 CO -0.05 0.21 0.00 0.39 -1.64 0.00 0.00 178.16 177.08 1mjj n GLU 187 N -4.89 0.02 0.00 1.82 -0.58 0.92 -2.54 120.64 115.39 1mjj n GLU 187 Ca 0.08 0.20 0.12 0.00 -0.42 0.00 0.00 57.16 57.14 1mjj n GLU 187 Cb 0.21 -1.50 0.27 0.00 -0.57 0.00 0.00 31.44 29.85 1mjj n GLU 187 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 1mjj n ARG 188 N -1.48 0.01 -4.35 3.49 0.63 -0.33 -4.93 116.66 109.70 1mjj n ARG 188 Ca 0.04 0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.80 1mjj n ARG 188 Cb 0.19 -1.51 -0.10 0.00 0.45 0.00 0.00 32.46 31.49 1mjj n ARG 188 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 1mjj s HIS 189 N -3.01 1.64 -0.01 -0.14 3.76 -1.05 -5.10 115.29 111.38 1mjj s HIS 189 Ca 0.11 -0.91 -0.00 0.00 -0.15 0.00 0.00 55.06 54.11 1mjj s HIS 189 Cb 0.17 -0.97 -0.01 0.00 1.11 0.00 0.00 32.58 32.89 1mjj s HIS 189 CO 0.69 -0.01 -0.01 -1.71 -0.85 0.00 0.00 174.74 172.85 1mjj n ASN 190 N -0.47 2.71 -4.61 1.40 5.15 -1.26 -4.80 115.26 113.39 1mjj n ASN 190 Ca -0.05 0.00 -0.40 0.00 -0.60 0.00 0.00 54.58 53.53 1mjj n ASN 190 Cb 0.64 -0.03 -0.07 0.00 -0.53 0.00 0.00 39.78 39.80 1mjj n ASN 190 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1mjj s SER 191 N -4.43 6.46 -0.10 1.20 0.15 -1.26 -0.29 113.70 115.43 1mjj s SER 191 Ca -0.02 0.50 0.04 0.00 0.70 0.00 0.00 55.95 57.17 1mjj s SER 191 Cb 0.01 -2.30 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 1mjj s SER 191 CO 0.03 -0.35 -0.24 -0.31 1.20 0.00 0.00 173.24 173.57 1mjj s TYR 192 N 2.41 2.55 -0.02 3.44 2.02 -0.33 0.54 117.35 127.96 1mjj s TYR 192 Ca 0.23 -1.06 -0.04 0.00 -0.37 0.00 0.00 57.07 55.83 1mjj s TYR 192 Cb -0.15 -1.70 0.01 0.00 -0.40 0.00 0.00 41.96 39.71 1mjj s TYR 192 CO 0.10 -0.43 0.11 0.99 -1.57 0.00 0.00 175.55 174.75 1mjj s THR 193 N 0.37 0.03 -0.06 -0.71 2.01 -0.73 -1.13 115.64 115.42 1mjj s THR 193 Ca -0.18 -0.28 0.04 0.00 0.31 0.00 0.00 61.69 61.57 1mjj s THR 193 Cb -0.18 -0.25 0.00 0.00 0.01 0.00 0.00 72.50 72.09 1mjj s THR 193 CO 0.08 -0.15 -0.16 0.00 -0.69 0.00 0.00 174.62 173.70 1mjj s GLU 195 N 0.31 3.11 -0.16 0.00 2.02 0.24 -2.14 118.70 122.07 1mjj s GLU 195 Ca -0.10 -0.83 -0.02 0.00 0.02 0.00 0.00 54.97 54.04 1mjj s GLU 195 Cb -0.14 -2.42 -0.02 0.00 0.10 0.00 0.00 34.13 31.66 1mjj s GLU 195 CO 0.04 0.11 -0.08 0.00 0.02 0.00 0.00 175.26 175.35 1mjj s ALA 196 N 0.52 2.79 -0.17 5.21 0.00 -0.04 -1.20 121.76 128.87 1mjj s ALA 196 Ca -0.13 -0.96 -0.00 0.00 0.00 0.00 0.00 51.96 50.87 1mjj s ALA 196 Cb -0.17 -1.46 0.00 0.00 0.00 0.00 0.00 23.12 21.50 1mjj s ALA 196 CO 0.05 0.03 -0.15 0.95 0.00 0.00 0.00 175.76 176.64 1mjj s THR 197 N 0.70 2.59 0.13 0.00 -4.23 -0.58 0.01 115.64 114.26 1mjj s THR 197 Ca -0.04 -0.78 0.06 0.00 -1.18 0.00 0.00 61.69 59.75 1mjj s THR 197 Cb -0.15 -2.11 -0.04 0.00 1.34 0.00 0.00 72.50 71.55 1mjj s THR 197 CO 0.02 0.51 -0.14 -2.28 -0.54 0.00 0.00 174.62 172.18 1mjj s HIS 198 N 1.06 1.44 -0.41 3.99 2.46 -1.26 -1.74 115.29 120.83 1mjj s HIS 198 Ca -0.01 -0.55 0.18 0.00 0.47 0.00 0.00 55.06 55.16 1mjj s HIS 198 Cb -0.15 -0.75 0.94 0.00 -0.13 0.00 0.00 32.58 32.49 1mjj s HIS 198 CO -0.04 0.16 1.56 0.36 -2.47 0.00 0.00 174.74 174.31 1mjj n LYS 199 N 0.51 0.12 0.00 2.88 2.85 -1.26 -1.58 118.16 121.69 1mjj n LYS 199 Ca -0.15 0.56 0.05 0.00 -1.05 0.00 0.00 58.31 57.72 1mjj n LYS 199 Cb 0.57 -1.85 0.29 0.00 -0.65 0.00 0.00 35.03 33.39 1mjj n LYS 199 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1mjj n THR 200 N -2.11 0.00 -3.63 0.58 -2.24 -1.26 -4.76 114.28 100.85 1mjj n THR 200 Ca -0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.73 1mjj n THR 200 Cb 0.07 -0.43 -0.06 0.00 -2.10 0.00 0.00 70.33 67.82 1mjj n THR 200 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1mjj s SER 201 N -1.67 -0.13 0.30 3.42 0.15 -0.61 -4.97 113.70 110.19 1mjj s SER 201 Ca 0.15 0.19 0.18 0.00 0.70 0.00 0.00 55.95 57.17 1mjj s SER 201 Cb 0.07 0.18 0.12 0.00 -1.71 0.00 0.00 66.02 64.68 1mjj s SER 201 CO 0.11 -0.08 1.43 0.71 1.20 0.00 0.00 173.24 176.60 1mjj h THR 202 N 2.62 0.56 -3.13 6.45 1.35 -1.86 -3.39 112.91 115.52 1mjj h THR 202 Ca -0.18 -1.81 -0.61 0.00 -0.55 0.00 0.00 66.41 63.26 1mjj h THR 202 Cb 1.19 2.24 -0.09 0.00 -1.73 0.00 0.00 68.15 69.75 1mjj h THR 202 CO 0.21 0.32 -0.37 -0.94 -0.25 0.00 0.00 175.52 174.49 1mjj s SER 203 N -6.29 6.43 0.59 5.36 1.04 -1.26 -5.03 113.70 114.54 1mjj s SER 203 Ca 0.04 0.51 -0.18 0.00 0.48 0.00 0.00 55.95 56.80 1mjj s SER 203 Cb 0.07 -2.15 -0.03 0.00 0.10 0.00 0.00 66.02 64.00 1mjj s SER 203 CO 0.73 0.20 1.16 -2.16 0.98 0.00 0.00 173.24 174.15 1mjj s PRO 204 N -0.05 3.05 -0.28 4.02 0.04 -1.26 -4.87 135.00 135.65 1mjj s PRO 204 Ca 0.16 1.65 -0.16 0.00 0.04 0.00 0.00 61.00 62.69 1mjj s PRO 204 Cb -0.13 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 1mjj s PRO 204 CO 0.04 -1.10 0.42 0.42 0.04 0.00 0.00 177.00 176.82 1mjj s ILE 205 N -1.82 5.13 0.12 0.56 -1.09 0.10 -4.85 121.20 119.35 1mjj s ILE 205 Ca 0.73 0.58 0.08 0.00 -2.23 0.00 0.00 60.65 59.81 1mjj s ILE 205 Cb -0.26 -3.77 -0.04 0.00 -1.58 0.00 0.00 42.46 36.82 1mjj s ILE 205 CO 0.33 0.08 -0.20 0.68 -1.23 0.00 0.00 174.94 174.60 1mjj s VAL 206 N 2.16 1.72 0.02 2.92 -7.23 -1.26 -0.86 120.40 117.87 1mjj s VAL 206 Ca 0.17 -1.63 0.04 0.00 -1.81 0.00 0.00 61.98 58.74 1mjj s VAL 206 Cb -0.16 -1.61 -0.02 0.00 0.56 0.00 0.00 36.38 35.15 1mjj s VAL 206 CO 0.10 -0.13 -0.12 -0.54 -0.31 0.00 0.00 175.10 174.11 1mjj s LYS 207 N -2.13 0.81 0.24 4.82 -0.14 -0.91 -5.03 119.74 117.41 1mjj s LYS 207 Ca 0.08 -0.61 -0.12 0.00 -1.36 0.00 0.00 55.97 53.96 1mjj s LYS 207 Cb -0.09 -0.78 -0.01 0.00 -1.68 0.00 0.00 37.83 35.28 1mjj s LYS 207 CO 0.05 0.20 0.45 -1.54 -0.76 0.00 0.00 175.35 173.75 1mjj s SER 208 N -0.88 -0.07 0.05 2.83 1.04 -1.26 -1.72 113.70 113.68 1mjj s SER 208 Ca 0.01 -0.96 -0.26 0.00 0.48 0.00 0.00 55.95 55.21 1mjj s SER 208 Cb -0.07 0.57 0.07 0.00 0.10 0.00 0.00 66.02 66.69 1mjj s SER 208 CO 0.01 -1.12 0.62 0.72 0.98 0.00 0.00 173.24 174.44 1mjj s PHE 209 N -4.02 -0.57 -0.19 5.02 -0.71 -0.29 -5.01 117.98 112.22 1mjj s PHE 209 Ca 0.24 0.70 -0.04 0.00 -1.04 0.00 0.00 56.93 56.78 1mjj s PHE 209 Cb -0.00 0.46 -0.02 0.00 -1.21 0.00 0.00 43.02 42.24 1mjj s PHE 209 CO 0.09 -0.71 -0.02 -0.80 -1.34 0.00 0.00 175.22 172.44 1mjj s ASN 210 N -1.95 4.69 0.22 1.98 0.01 -1.26 -1.18 114.94 117.45 1mjj s ASN 210 Ca -0.05 -0.22 -0.09 0.00 -0.71 0.00 0.00 52.86 51.79 1mjj s ASN 210 Cb -0.01 -1.79 0.33 0.00 0.41 0.00 0.00 41.25 40.20 1mjj s ASN 210 CO -0.01 0.08 1.71 -0.09 -1.51 0.00 0.00 177.10 177.28 1mjj h ARG 211 N 7.34 0.29 -0.89 -0.60 2.43 -0.96 -2.45 114.38 119.54 1mjj h ARG 211 Ca -0.35 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 58.65 1mjj h ARG 211 Cb 1.18 -0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 30.57 1mjj h ARG 211 CO 0.61 0.19 0.20 0.27 -1.51 0.00 0.00 179.97 179.73 1mjj n ASN 212 N -5.11 3.55 -0.37 -3.80 0.23 -1.26 -5.14 115.26 103.36 1mjj n ASN 212 Ca 0.10 -2.73 0.05 0.00 -0.53 0.00 0.00 54.58 51.46 1mjj n ASN 212 Cb 0.34 -0.65 0.04 0.00 -2.08 0.00 0.00 39.78 37.43 1mjj n ASN 212 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54