#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 4.40 -0.15 0.53 1.01 -1.26 -4.97 121.20 120.77 1mjj s ILE 2 Ca 0.00 1.70 -0.22 0.00 0.00 0.00 0.00 60.65 62.13 1mjj s ILE 2 Cb 0.00 -4.10 -0.03 0.00 0.01 0.00 0.00 42.46 38.35 1mjj s ILE 2 CO 0.00 -0.09 0.68 -0.69 0.00 0.00 0.00 174.94 174.83 1mjj s VAL 3 N 2.93 5.01 -0.20 2.92 1.01 -1.26 -4.77 120.40 126.04 1mjj s VAL 3 Ca 0.52 1.33 -0.06 0.00 0.00 0.00 0.00 61.98 63.77 1mjj s VAL 3 Cb -0.21 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 1mjj s VAL 3 CO 0.15 0.15 0.03 -0.04 0.00 0.00 0.00 175.10 175.40 1mjj s MET 4 N 1.53 3.74 -0.26 2.72 1.00 -1.26 -0.49 119.30 126.29 1mjj s MET 4 Ca 0.33 -0.46 -0.00 0.00 0.00 0.00 0.00 55.69 55.56 1mjj s MET 4 Cb -0.16 -3.16 0.04 0.00 0.00 0.00 0.00 34.83 31.54 1mjj s MET 4 CO 0.13 0.06 -0.08 0.99 0.00 0.00 0.00 175.02 176.13 1mjj s THR 5 N 0.90 2.61 -0.92 2.05 2.01 0.11 -4.39 115.64 118.02 1mjj s THR 5 Ca 0.02 -1.27 -0.00 0.00 0.31 0.00 0.00 61.69 60.75 1mjj s THR 5 Cb -0.14 -2.41 0.30 0.00 0.01 0.00 0.00 72.50 70.26 1mjj s THR 5 CO 0.02 0.10 1.33 0.00 -0.69 0.00 0.00 174.62 175.38 1mjj n GLN 6 N 4.58 4.10 -0.12 4.92 6.02 -1.26 -0.89 117.38 134.73 1mjj n GLN 6 Ca -0.15 -4.64 0.01 0.00 -0.01 0.00 0.00 57.00 52.20 1mjj n GLN 6 Cb 0.45 -2.42 0.03 0.00 1.02 0.00 0.00 30.24 29.32 1mjj n GLN 6 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1mjj n ALA 7 N 0.79 0.01 -2.59 -1.58 0.00 -1.26 -4.18 120.51 111.70 1mjj n ALA 7 Ca 0.31 0.33 -0.42 0.00 0.00 0.00 0.00 53.44 53.66 1mjj n ALA 7 Cb 0.34 -0.17 -0.03 0.00 0.00 0.00 0.00 19.45 19.60 1mjj n ALA 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mjj s ALA 8 N -5.34 3.02 0.26 0.00 0.00 -1.26 -4.91 121.76 113.53 1mjj s ALA 8 Ca -0.04 -0.86 -0.02 0.00 0.00 0.00 0.00 51.96 51.04 1mjj s ALA 8 Cb 0.07 -3.99 0.46 0.00 0.00 0.00 0.00 23.12 19.66 1mjj s ALA 8 CO 0.23 -2.61 1.83 -1.35 0.00 0.00 0.00 175.76 173.87 1mjj h PRO 9 N 9.50 0.92 -3.63 0.00 0.11 -1.83 -3.42 132.00 133.65 1mjj h PRO 9 Ca -0.25 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 65.69 1mjj h PRO 9 Cb 1.06 -0.21 -0.17 0.00 0.11 0.00 0.00 31.00 31.79 1mjj h PRO 9 CO 1.17 0.61 -0.43 -1.54 -0.21 0.00 0.00 178.00 177.60 1mjj s SER 10 N -5.70 0.07 -0.05 -2.05 1.04 -1.26 -1.07 113.70 104.68 1mjj s SER 10 Ca -0.12 -0.42 -0.01 0.00 0.48 0.00 0.00 55.95 55.88 1mjj s SER 10 Cb 0.21 0.27 0.03 0.00 0.10 0.00 0.00 66.02 66.63 1mjj s SER 10 CO 0.80 -0.55 0.02 -0.69 0.98 0.00 0.00 173.24 173.80 1mjj s VAL 11 N -2.60 0.18 0.39 5.02 1.01 0.58 -4.89 120.40 120.08 1mjj s VAL 11 Ca -0.05 0.20 -0.14 0.00 0.00 0.00 0.00 61.98 61.99 1mjj s VAL 11 Cb -0.01 -0.35 -0.08 0.00 0.00 0.00 0.00 36.38 35.94 1mjj s VAL 11 CO -0.04 0.20 0.81 -2.16 0.00 0.00 0.00 175.10 173.91 1mjj s PRO 12 N 1.75 3.94 -0.29 2.72 0.04 -1.26 -1.68 135.00 140.22 1mjj s PRO 12 Ca 0.01 0.68 -0.24 0.00 0.04 0.00 0.00 61.00 61.49 1mjj s PRO 12 Cb -0.13 -2.35 0.15 0.00 0.04 0.00 0.00 34.50 32.21 1mjj s PRO 12 CO -0.03 0.00 1.17 0.54 0.04 0.00 0.00 177.00 178.72 1mjj s VAL 13 N -2.24 0.00 0.16 -0.36 0.11 -0.84 -4.93 120.40 112.30 1mjj s VAL 13 Ca 0.55 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 59.44 1mjj s VAL 13 Cb -0.10 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.68 1mjj s VAL 13 CO 0.24 0.00 0.59 0.42 -3.33 0.00 0.00 175.10 173.02 1mjj s THR 14 N 0.23 4.79 0.28 5.04 -4.23 -1.26 -0.47 115.64 120.02 1mjj s THR 14 Ca 0.04 0.94 -0.28 0.00 -1.18 0.00 0.00 61.69 61.21 1mjj s THR 14 Cb -0.05 -3.76 -0.14 0.00 1.34 0.00 0.00 72.50 69.88 1mjj s THR 14 CO -0.10 0.24 0.91 -2.65 -0.54 0.00 0.00 174.62 172.48 1mjj n PRO 15 N 0.79 1.10 0.00 3.99 -0.02 -1.26 -1.41 135.00 138.19 1mjj n PRO 15 Ca -0.05 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1mjj n PRO 15 Cb 0.52 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 1mjj n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1mjj n GLY 16 N 1.37 2.94 3.93 -1.23 0.00 -0.81 -4.94 105.19 106.45 1mjj n GLY 16 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.49 3.13 0.39 1.61 0.41 -0.50 -3.88 118.70 119.38 1mjj s GLU 17 Ca 0.00 -0.22 0.02 0.00 -0.41 0.00 0.00 54.97 54.36 1mjj s GLU 17 Cb 0.00 -2.45 -0.01 0.00 -1.78 0.00 0.00 34.13 29.89 1mjj s GLU 17 CO 0.00 -0.36 0.59 -1.12 -0.49 0.00 0.00 175.26 173.88 1mjj s SER 18 N -4.21 6.00 -0.02 -0.19 0.01 -1.26 -1.20 113.70 112.83 1mjj s SER 18 Ca 0.49 0.24 -0.14 0.00 1.31 0.00 0.00 55.95 57.85 1mjj s SER 18 Cb -0.10 -1.63 0.02 0.00 0.21 0.00 0.00 66.02 64.52 1mjj s SER 18 CO 0.41 -0.52 0.30 0.54 0.41 0.00 0.00 173.24 174.38 1mjj s VAL 19 N -2.40 0.05 -0.20 3.43 0.11 -0.27 -4.95 120.40 116.17 1mjj s VAL 19 Ca 0.45 -0.44 0.01 0.00 -2.93 0.00 0.00 61.98 59.07 1mjj s VAL 19 Cb -0.10 -0.59 0.03 0.00 -1.53 0.00 0.00 36.38 34.20 1mjj s VAL 19 CO 0.36 -0.24 -0.16 -0.44 -3.33 0.00 0.00 175.10 171.29 1mjj s SER 20 N -1.18 3.43 -0.23 3.54 0.01 -1.26 -1.41 113.70 116.60 1mjj s SER 20 Ca -0.12 -0.84 -0.10 0.00 1.31 0.00 0.00 55.95 56.20 1mjj s SER 20 Cb -0.05 -1.43 -0.05 0.00 0.21 0.00 0.00 66.02 64.70 1mjj s SER 20 CO 0.04 -0.07 0.13 -0.63 0.41 0.00 0.00 173.24 173.12 1mjj s ILE 21 N 1.28 5.20 0.15 1.44 1.01 0.78 -4.94 121.20 126.12 1mjj s ILE 21 Ca 0.01 0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.80 1mjj s ILE 21 Cb -0.15 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 38.88 1mjj s ILE 21 CO -0.10 0.38 0.28 -0.55 0.00 0.00 0.00 174.94 174.94 1mjj s SER 22 N 0.89 6.30 -0.13 3.58 0.15 -1.26 -0.74 113.70 122.49 1mjj s SER 22 Ca 0.07 0.16 -0.15 0.00 0.70 0.00 0.00 55.95 56.73 1mjj s SER 22 Cb -0.13 -1.89 0.04 0.00 -1.71 0.00 0.00 66.02 62.33 1mjj s SER 22 CO 0.03 0.05 0.40 0.00 1.20 0.00 0.00 173.24 174.92 1mjj s ARG 24 N -0.03 0.25 0.13 0.00 0.52 -0.07 -0.64 118.95 119.12 1mjj s ARG 24 Ca -0.02 0.01 -0.05 0.00 -0.52 0.00 0.00 55.73 55.15 1mjj s ARG 24 Cb -0.03 -0.36 -0.05 0.00 0.52 0.00 0.00 34.95 35.02 1mjj s ARG 24 CO 0.01 -0.06 0.36 -1.54 0.02 0.00 0.00 175.30 174.10 1mjj s SER 25 N 0.59 6.49 0.36 0.23 1.04 -0.28 0.08 113.70 122.20 1mjj s SER 25 Ca -0.06 0.58 0.08 0.00 0.48 0.00 0.00 55.95 57.03 1mjj s SER 25 Cb -0.09 -2.09 0.69 0.00 0.10 0.00 0.00 66.02 64.64 1mjj s SER 25 CO -0.01 0.08 1.88 -1.28 0.98 0.00 0.00 173.24 174.88 1mjj h SER 26 N 2.96 0.30 -4.38 7.02 0.87 -1.11 -3.45 113.55 115.77 1mjj h SER 26 Ca -0.46 -0.07 -0.30 0.00 -1.23 0.00 0.00 61.79 59.73 1mjj h SER 26 Cb 1.17 -0.08 -0.15 0.00 -0.44 0.00 0.00 62.40 62.90 1mjj h SER 26 CO 0.72 0.46 -0.67 -0.75 -0.53 0.00 0.00 176.83 176.06 1mjj s LYS 27 N -4.72 1.11 0.00 2.24 2.20 -1.26 -4.94 119.74 114.37 1mjj s LYS 27 Ca -0.06 -1.52 0.00 0.00 -0.36 0.00 0.00 55.97 54.03 1mjj s LYS 27 Cb 0.15 -0.35 0.00 0.00 -1.51 0.00 0.00 37.83 36.13 1mjj s LYS 27 CO 0.75 -0.09 0.00 0.45 -0.36 0.00 0.00 175.35 176.09 1mjj n SER 27 N -0.24 -0.80 -1.99 1.43 2.88 -1.26 -4.76 113.62 108.88 1mjj n SER 27 Ca -0.07 -0.07 0.00 0.00 -1.33 0.00 0.00 58.87 57.40 1mjj n SER 27 Cb 0.63 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 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 -3.30 -4.91 2.46 0.00 -1.26 -5.02 117.00 104.97 1mjj n LEU 27 Ca 0.00 2.12 -0.28 0.00 0.00 0.00 0.00 56.01 57.85 1mjj n LEU 27 Cb 0.00 -2.40 0.03 0.00 0.00 0.00 0.00 43.42 41.04 1mjj n LEU 27 CO 0.00 -1.66 0.58 -2.28 0.00 0.00 0.00 177.39 174.02 1mjj s HIS 27 N -0.29 3.35 0.51 1.96 5.65 0.18 -4.95 115.29 121.70 1mjj s HIS 27 Ca 0.00 0.80 0.18 0.00 0.25 0.00 0.00 55.06 56.29 1mjj s HIS 27 Cb 0.00 -2.73 1.27 0.00 -1.18 0.00 0.00 32.58 29.94 1mjj s HIS 27 CO 0.00 -0.80 2.10 0.77 -0.65 0.00 0.00 174.74 176.16 1mjj h SER 27 N -0.22 0.04 0.00 9.88 0.02 -2.03 0.13 113.55 121.38 1mjj h SER 27 Ca -0.45 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 1mjj h SER 27 Cb 1.24 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.77 1mjj h SER 27 CO 0.62 0.03 0.00 -0.46 -1.14 0.00 0.00 176.83 175.87 1mjj n ASN 28 N -4.49 0.00 0.00 3.07 2.04 -1.26 -4.86 115.26 109.76 1mjj n ASN 28 Ca 0.01 -0.87 0.00 0.00 -0.44 0.00 0.00 54.58 53.28 1mjj n ASN 28 Cb 0.23 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.48 1mjj n ASN 28 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1mjj n GLY 29 N 0.29 1.47 3.94 4.83 0.00 0.46 -5.06 105.19 111.11 1mjj n GLY 29 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.11 6.34 -0.23 1.61 0.01 -1.26 -4.81 114.94 113.49 1mjj s ASN 30 Ca 0.00 0.46 -0.02 0.00 -0.71 0.00 0.00 52.86 52.59 1mjj s ASN 30 Cb 0.00 -2.03 0.01 0.00 0.41 0.00 0.00 41.25 39.64 1mjj s ASN 30 CO 0.00 -0.22 -0.07 -0.89 -1.51 0.00 0.00 177.10 174.41 1mjj s THR 31 N -2.18 2.92 -1.33 1.60 2.01 -1.26 0.48 115.64 117.88 1mjj s THR 31 Ca 0.40 -0.84 -0.14 0.00 0.31 0.00 0.00 61.69 61.41 1mjj s THR 31 Cb -0.10 -2.40 0.10 0.00 0.01 0.00 0.00 72.50 70.11 1mjj s THR 31 CO 0.33 0.32 1.85 -1.22 -0.69 0.00 0.00 174.62 175.21 1mjj n TYR 32 N 4.70 4.10 -3.82 4.92 4.02 -1.26 -3.29 117.16 126.53 1mjj n TYR 32 Ca -0.18 -2.97 -0.21 0.00 -0.01 0.00 0.00 57.90 54.53 1mjj n TYR 32 Cb 0.49 -2.41 -0.17 0.00 -0.02 0.00 0.00 39.34 37.23 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 2.36 0.69 0.17 7.72 1.98 -1.26 -2.17 118.68 128.17 1mjj s LEU 33 Ca 0.47 -0.05 0.04 0.00 -2.89 0.00 0.00 54.13 51.70 1mjj s LEU 33 Cb 0.07 -0.36 -0.04 0.00 0.66 0.00 0.00 46.19 46.52 1mjj s LEU 33 CO 0.00 -0.17 0.21 -0.31 -1.89 0.00 0.00 176.35 174.19 1mjj s TYR 34 N 1.74 3.28 -0.08 5.38 1.51 0.79 -0.94 117.35 129.03 1mjj s TYR 34 Ca 0.01 0.02 0.01 0.00 -1.01 0.00 0.00 57.07 56.10 1mjj s TYR 34 Cb -0.13 -1.56 0.02 0.00 -0.11 0.00 0.00 41.96 40.19 1mjj s TYR 34 CO -0.04 0.51 -0.09 -1.58 -1.11 0.00 0.00 175.55 173.25 1mjj s TRP 35 N -1.80 1.32 0.13 2.71 0.52 -0.15 -1.77 118.94 119.88 1mjj s TRP 35 Ca 0.33 -0.54 0.07 0.00 0.02 0.00 0.00 56.10 55.98 1mjj s TRP 35 Cb -0.10 -1.05 -0.04 0.00 -1.15 0.00 0.00 33.47 31.13 1mjj s TRP 35 CO 0.26 -0.35 -0.17 -0.06 0.02 0.00 0.00 176.95 176.65 1mjj s PHE 36 N 1.13 1.61 -0.14 -1.98 0.40 0.43 -0.29 117.98 119.13 1mjj s PHE 36 Ca -0.06 -0.49 0.01 0.00 -0.60 0.00 0.00 56.93 55.79 1mjj s PHE 36 Cb -0.14 -0.84 -0.00 0.00 0.51 0.00 0.00 43.02 42.54 1mjj s PHE 36 CO -0.01 0.21 -0.16 -1.17 0.70 0.00 0.00 175.22 174.79 1mjj s LEU 37 N -2.34 2.47 -0.17 -0.37 2.96 -0.05 -0.87 118.68 120.32 1mjj s LEU 37 Ca 0.10 -0.45 0.01 0.00 -0.22 0.00 0.00 54.13 53.56 1mjj s LEU 37 Cb -0.07 -1.55 0.01 0.00 0.50 0.00 0.00 46.19 45.08 1mjj s LEU 37 CO 0.04 0.11 -0.19 -1.58 -1.32 0.00 0.00 176.35 173.42 1mjj s GLN 38 N 0.65 3.06 0.22 1.98 0.74 0.38 -0.77 119.66 125.93 1mjj s GLN 38 Ca -0.08 -0.81 -0.05 0.00 0.05 0.00 0.00 55.36 54.47 1mjj s GLN 38 Cb -0.16 -2.57 -0.06 0.00 1.10 0.00 0.00 33.01 31.33 1mjj s GLN 38 CO 0.02 -0.12 0.47 1.03 -0.55 0.00 0.00 175.29 176.15 1mjj s ARG 39 N 1.09 3.64 -0.22 1.67 0.52 -1.26 -1.61 118.95 122.78 1mjj s ARG 39 Ca -0.00 -0.03 -0.40 0.00 -0.52 0.00 0.00 55.73 54.77 1mjj s ARG 39 Cb -0.14 -2.74 -0.16 0.00 0.52 0.00 0.00 34.95 32.42 1mjj s ARG 39 CO -0.07 0.34 1.66 -2.30 0.02 0.00 0.00 175.30 174.95 1mjj n PRO 40 N -0.42 1.08 -0.87 3.54 -0.02 -1.26 -1.18 135.00 135.87 1mjj n PRO 40 Ca -0.02 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1mjj n PRO 40 Cb 0.53 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 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 3.85 0.82 3.48 -1.23 0.00 -1.26 -5.04 105.19 105.81 1mjj n GLY 41 Ca 0.25 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.13 1.71 0.60 1.61 -0.21 -0.32 -5.13 119.66 117.79 1mjj s GLN 42 Ca 0.00 -1.77 -0.16 0.00 0.02 0.00 0.00 55.36 53.46 1mjj s GLN 42 Cb 0.00 -1.78 -0.03 0.00 1.00 0.00 0.00 33.01 32.20 1mjj s GLN 42 CO 0.00 0.32 1.06 -1.54 -2.12 0.00 0.00 175.29 173.01 1mjj s SER 43 N -3.52 5.71 0.47 5.90 1.04 -1.26 -4.56 113.70 117.48 1mjj s SER 43 Ca 0.30 1.83 -0.24 0.00 0.48 0.00 0.00 55.95 58.33 1mjj s SER 43 Cb -0.05 -2.53 -0.08 0.00 0.10 0.00 0.00 66.02 63.46 1mjj s SER 43 CO 0.15 -1.22 1.31 -2.65 0.98 0.00 0.00 173.24 171.82 1mjj n PRO 44 N -2.08 1.88 -4.66 4.02 -0.02 -1.26 -4.72 135.00 128.15 1mjj n PRO 44 Ca 0.09 0.68 -0.33 0.00 -2.02 0.00 0.00 63.50 61.91 1mjj n PRO 44 Cb 0.53 -2.48 -0.12 0.00 -0.02 0.00 0.00 33.50 31.40 1mjj n PRO 44 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1mjj s GLN 45 N -2.48 3.05 0.12 -0.52 0.74 0.05 -4.92 119.66 115.71 1mjj s GLN 45 Ca 0.65 -0.60 -0.31 0.00 0.05 0.00 0.00 55.36 55.15 1mjj s GLN 45 Cb -0.46 -2.63 -0.09 0.00 1.10 0.00 0.00 33.01 30.93 1mjj s GLN 45 CO 0.55 0.46 1.58 -1.17 -0.55 0.00 0.00 175.29 176.16 1mjj s LEU 46 N -0.27 4.37 -0.04 3.68 2.96 -1.26 -0.88 118.68 127.24 1mjj s LEU 46 Ca 0.03 2.52 -0.08 0.00 -0.22 0.00 0.00 54.13 56.39 1mjj s LEU 46 Cb -0.13 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.95 1mjj s LEU 46 CO 0.03 -0.83 -0.16 0.18 -1.32 0.00 0.00 176.35 174.24 1mjj n LEU 47 N 4.69 1.39 -4.04 -0.68 4.77 0.60 -4.80 117.00 118.94 1mjj n LEU 47 Ca 0.14 0.21 -0.20 0.00 -0.03 0.00 0.00 56.01 56.14 1mjj n LEU 47 Cb 0.40 -0.50 -0.15 0.00 -2.33 0.00 0.00 43.42 40.84 1mjj n LEU 47 CO 0.62 -0.41 -0.44 -0.63 -1.33 0.00 0.00 177.39 175.19 1mjj s ILE 48 N -2.38 0.83 0.17 -0.08 -1.09 -1.01 -1.63 121.20 116.01 1mjj s ILE 48 Ca -0.14 -0.43 0.07 0.00 -2.23 0.00 0.00 60.65 57.92 1mjj s ILE 48 Cb 0.03 -0.71 -0.04 0.00 -1.58 0.00 0.00 42.46 40.15 1mjj s ILE 48 CO 0.20 0.24 -0.15 -0.72 -1.23 0.00 0.00 174.94 173.28 1mjj s TYR 49 N -0.10 1.60 -1.50 3.97 1.13 -0.20 -0.98 117.35 121.27 1mjj s TYR 49 Ca 0.02 -0.57 -0.05 0.00 -1.41 0.00 0.00 57.07 55.06 1mjj s TYR 49 Cb -0.06 -0.79 0.01 0.00 -1.10 0.00 0.00 41.96 40.02 1mjj s TYR 49 CO -0.00 0.27 0.62 -2.13 -2.51 0.00 0.00 175.55 171.80 1mjj n ARG 50 N 0.02 -4.93 0.00 -3.49 0.63 -1.18 -0.37 116.66 107.34 1mjj n ARG 50 Ca -0.11 0.88 0.00 0.00 -0.92 0.00 0.00 57.85 57.70 1mjj n ARG 50 Cb 0.59 -5.69 0.00 0.00 0.45 0.00 0.00 32.46 27.81 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 -3.98 0.00 0.00 -0.14 0.00 -0.11 -4.12 117.12 108.77 1mjj n MET 51 Ca -0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.70 57.60 1mjj n MET 51 Cb 0.61 -1.83 0.00 0.00 0.00 0.00 0.00 33.22 32.00 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 0.17 0.00 -4.73 6.12 3.41 -1.14 -3.62 113.62 113.82 1mjj n SER 52 Ca 0.00 -0.43 -0.41 0.00 -0.26 0.00 0.00 58.87 57.77 1mjj n SER 52 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 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 0.00 7.42 -0.07 4.04 -0.87 0.50 -4.50 114.94 121.48 1mjj s ASN 53 Ca 0.00 1.93 -0.22 0.00 -1.57 0.00 0.00 52.86 52.99 1mjj s ASN 53 Cb 0.00 -2.60 -0.04 0.00 -0.02 0.00 0.00 41.25 38.59 1mjj s ASN 53 CO 0.00 -0.10 0.65 -0.22 -2.57 0.00 0.00 177.10 174.86 1mjj s LEU 54 N -0.27 4.32 0.61 0.60 2.96 -1.26 -1.04 118.68 124.61 1mjj s LEU 54 Ca 0.47 1.13 -0.15 0.00 -0.22 0.00 0.00 54.13 55.36 1mjj s LEU 54 Cb -0.26 -3.01 -0.03 0.00 0.50 0.00 0.00 46.19 43.40 1mjj s LEU 54 CO 0.32 -0.07 1.07 0.00 -1.32 0.00 0.00 176.35 176.34 1mjj s ALA 55 N 0.66 2.69 0.47 5.97 0.00 -0.65 -4.94 121.76 125.96 1mjj s ALA 55 Ca 0.35 0.39 -0.24 0.00 0.00 0.00 0.00 51.96 52.46 1mjj s ALA 55 Cb -0.17 -3.24 -0.07 0.00 0.00 0.00 0.00 23.12 19.63 1mjj s ALA 55 CO 0.17 -0.91 1.37 -1.54 0.00 0.00 0.00 175.76 174.85 1mjj s SER 56 N -2.83 5.83 0.00 0.00 1.04 -1.26 -2.19 113.70 114.29 1mjj s SER 56 Ca 0.64 2.80 0.00 0.00 0.48 0.00 0.00 55.95 59.87 1mjj s SER 56 Cb -0.17 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.31 1mjj s SER 56 CO 0.39 -1.20 0.00 0.61 0.98 0.00 0.00 173.24 174.02 1mjj n GLY 57 N 0.62 2.53 3.68 7.32 0.00 -1.26 -5.00 105.19 113.08 1mjj n GLY 57 Ca 0.06 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.83 3.16 0.48 1.61 1.01 -0.93 -4.95 120.40 119.96 1mjj s VAL 58 Ca 0.00 0.55 -0.23 0.00 0.00 0.00 0.00 61.98 62.30 1mjj s VAL 58 Cb 0.00 -3.35 -0.07 0.00 0.00 0.00 0.00 36.38 32.96 1mjj s VAL 58 CO 0.00 -0.01 1.29 -2.16 0.00 0.00 0.00 175.10 174.22 1mjj s PRO 59 N 2.87 3.56 0.60 2.72 0.04 -1.26 -4.85 135.00 138.68 1mjj s PRO 59 Ca 0.74 2.08 0.28 0.00 0.04 0.00 0.00 61.00 64.13 1mjj s PRO 59 Cb -0.38 -2.44 1.29 0.00 0.04 0.00 0.00 34.50 33.01 1mjj s PRO 59 CO 0.32 -0.81 1.69 -0.44 0.04 0.00 0.00 177.00 177.80 1mjj h ASP 60 N 1.97 0.00 -0.59 6.66 3.32 -1.98 0.11 116.42 125.90 1mjj h ASP 60 Ca -0.50 0.00 0.15 0.00 0.02 0.00 0.00 57.03 56.70 1mjj h ASP 60 Cb 1.27 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.79 1mjj h ASP 60 CO 0.60 0.00 0.41 0.03 -1.72 0.00 0.00 179.24 178.56 1mjj h ARG 61 N 0.00 0.11 -6.10 3.56 3.08 -1.90 -3.40 114.38 109.73 1mjj h ARG 61 Ca 0.30 -0.01 -0.57 0.00 0.07 0.00 0.00 59.98 59.77 1mjj h ARG 61 Cb 1.75 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 31.73 1mjj h ARG 61 CO -0.00 0.07 -0.04 -0.06 -1.07 0.00 0.00 179.97 178.87 1mjj s PHE 62 N -5.12 3.71 -0.05 3.04 0.40 0.36 -2.14 117.98 118.19 1mjj s PHE 62 Ca -0.06 1.19 -0.24 0.00 -0.60 0.00 0.00 56.93 57.22 1mjj s PHE 62 Cb 0.20 -2.56 0.05 0.00 0.51 0.00 0.00 43.02 41.22 1mjj s PHE 62 CO 0.74 0.42 0.54 -1.54 0.70 0.00 0.00 175.22 176.08 1mjj s SER 63 N -0.44 -0.49 0.21 1.36 1.04 -0.85 -4.93 113.70 109.59 1mjj s SER 63 Ca 0.30 0.53 0.11 0.00 0.48 0.00 0.00 55.95 57.36 1mjj s SER 63 Cb -0.18 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.40 1mjj s SER 63 CO 0.17 -0.52 -0.19 -0.83 0.98 0.00 0.00 173.24 172.85 1mjj s GLY 64 N -1.12 1.74 0.29 7.32 0.00 -1.26 -0.86 107.32 113.42 1mjj s GLY 64 Ca -0.11 -1.63 -0.20 0.00 0.00 0.00 0.00 44.72 42.77 1mjj s GLY 64 CO 0.07 -1.67 0.80 -1.35 0.00 0.00 0.00 173.10 170.95 1mjj s SER 65 N -2.87 -0.15 0.00 1.64 1.04 -0.22 -4.56 113.70 108.57 1mjj s SER 65 Ca 0.24 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.92 1mjj s SER 65 Cb -0.08 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.76 1mjj s SER 65 CO 0.12 -1.36 0.00 0.61 0.98 0.00 0.00 173.24 173.59 1mjj n GLY 66 N -0.50 2.43 0.00 7.32 0.00 -1.26 0.17 105.19 113.36 1mjj n GLY 66 Ca -0.06 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.85 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 -0.05 1.61 3.41 -0.45 -4.98 113.62 113.17 1mjj n SER 67 Ca 0.00 0.00 -0.08 0.00 -0.26 0.00 0.00 58.87 58.53 1mjj n SER 67 Cb 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 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 -1.02 0.00 5.00 0.00 -1.26 -4.60 105.19 108.31 1mjj n GLY 68 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.88 0.26 -3.80 2.61 -2.24 -1.26 -4.42 114.28 102.55 1mjj n THR 69 Ca -0.22 -0.41 -0.27 0.00 -2.27 0.00 0.00 64.05 60.88 1mjj n THR 69 Cb 1.06 1.10 -0.17 0.00 -2.10 0.00 0.00 70.33 70.23 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 -0.26 1.14 0.20 6.98 0.00 -1.26 -1.13 121.76 127.43 1mjj s ALA 70 Ca 0.00 -0.65 0.09 0.00 0.00 0.00 0.00 51.96 51.41 1mjj s ALA 70 Cb 0.00 -1.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 1mjj s ALA 70 CO 0.00 -0.90 -0.10 -0.06 0.00 0.00 0.00 175.76 174.71 1mjj s PHE 71 N 1.79 2.59 -0.04 0.00 0.08 0.19 -1.34 117.98 121.25 1mjj s PHE 71 Ca 0.01 -0.24 -0.02 0.00 0.12 0.00 0.00 56.93 56.80 1mjj s PHE 71 Cb -0.16 -1.24 0.03 0.00 -0.57 0.00 0.00 43.02 41.09 1mjj s PHE 71 CO -0.07 0.55 0.07 0.99 -0.10 0.00 0.00 175.22 176.66 1mjj s THR 72 N -1.87 -0.10 -0.21 0.64 2.01 0.13 -1.81 115.64 114.42 1mjj s THR 72 Ca 0.26 0.31 -0.10 0.00 0.31 0.00 0.00 61.69 62.47 1mjj s THR 72 Cb -0.08 -0.16 -0.05 0.00 0.01 0.00 0.00 72.50 72.22 1mjj s THR 72 CO 0.16 0.13 0.13 -0.22 -0.69 0.00 0.00 174.62 174.13 1mjj s LEU 73 N 1.65 4.14 -0.09 4.42 2.96 0.08 -1.06 118.68 130.78 1mjj s LEU 73 Ca -0.02 0.17 0.03 0.00 -0.22 0.00 0.00 54.13 54.09 1mjj s LEU 73 Cb -0.12 -2.08 0.01 0.00 0.50 0.00 0.00 46.19 44.49 1mjj s LEU 73 CO -0.04 0.14 -0.17 -0.13 -1.32 0.00 0.00 176.35 174.83 1mjj s ARG 74 N 0.62 2.32 -0.30 1.98 0.52 -0.04 -0.15 118.95 123.91 1mjj s ARG 74 Ca 0.07 -0.62 -0.01 0.00 -0.52 0.00 0.00 55.73 54.65 1mjj s ARG 74 Cb -0.12 -1.85 0.05 0.00 0.52 0.00 0.00 34.95 33.55 1mjj s ARG 74 CO 0.01 0.07 -0.02 0.42 0.02 0.00 0.00 175.30 175.80 1mjj s ILE 75 N 0.61 2.85 0.17 1.52 1.01 -0.50 -2.02 121.20 124.84 1mjj s ILE 75 Ca -0.15 -1.45 -0.16 0.00 0.00 0.00 0.00 60.65 58.90 1mjj s ILE 75 Cb -0.16 -2.65 -0.07 0.00 0.01 0.00 0.00 42.46 39.58 1mjj s ILE 75 CO 0.05 -0.11 0.60 -0.94 0.00 0.00 0.00 174.94 174.54 1mjj s SER 76 N 1.23 6.88 -1.18 3.58 1.04 -0.91 -1.11 113.70 123.24 1mjj s SER 76 Ca -0.05 1.17 -0.16 0.00 0.48 0.00 0.00 55.95 57.38 1mjj s SER 76 Cb -0.20 -2.32 -0.01 0.00 0.10 0.00 0.00 66.02 63.59 1mjj s SER 76 CO -0.02 0.08 0.75 0.54 0.98 0.00 0.00 173.24 175.57 1mjj n ARG 77 N 0.76 -1.79 -1.64 4.02 1.74 -1.16 -4.78 116.66 113.81 1mjj n ARG 77 Ca -0.04 0.48 -0.46 0.00 -0.77 0.00 0.00 57.85 57.06 1mjj n ARG 77 Cb 0.52 -4.33 -0.03 0.00 -1.02 0.00 0.00 32.46 27.59 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 -4.17 0.81 -4.10 1.55 0.31 -0.34 -4.62 118.33 107.78 1mjj n VAL 78 Ca -0.13 -0.20 -0.23 0.00 -0.01 0.00 0.00 64.34 63.76 1mjj n VAL 78 Cb 0.61 -1.30 -0.07 0.00 -0.91 0.00 0.00 33.84 32.17 1mjj n VAL 78 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1mjj s GLU 79 N -0.24 2.31 0.41 5.55 2.02 -1.26 -1.92 118.70 125.57 1mjj s GLU 79 Ca 0.71 -1.65 0.09 0.00 0.02 0.00 0.00 54.97 54.14 1mjj s GLU 79 Cb -0.71 -2.11 0.86 0.00 0.10 0.00 0.00 34.13 32.27 1mjj s GLU 79 CO 0.49 0.03 2.00 0.00 0.02 0.00 0.00 175.26 177.80 1mjj h ALA 80 N 1.51 1.64 0.00 5.21 0.00 -1.88 -1.51 119.26 124.23 1mjj h ALA 80 Ca -0.43 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 1mjj h ALA 80 Cb 1.25 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1mjj h ALA 80 CO 0.65 0.28 -0.00 1.49 0.00 0.00 0.00 179.25 181.66 1mjj h GLU 81 N 0.34 0.00 0.00 0.00 4.81 -1.62 -2.78 114.58 115.33 1mjj h GLU 81 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1mjj h GLU 81 Cb 0.16 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.54 1mjj h GLU 81 CO -0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 179.01 178.03 1mjj n ASP 82 N -4.17 0.00 -4.77 1.04 8.00 -0.57 -4.91 116.55 111.17 1mjj n ASP 82 Ca -0.03 -0.95 -0.36 0.00 0.71 0.00 0.00 54.79 54.17 1mjj n ASP 82 Cb 0.09 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 1mjj n ASP 82 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1mjj s VAL 83 N -2.01 3.10 -5.00 2.53 0.11 -1.05 -4.91 120.40 113.17 1mjj s VAL 83 Ca 0.46 0.72 0.00 0.00 -2.93 0.00 0.00 61.98 60.23 1mjj s VAL 83 Cb 0.21 -3.31 0.00 0.00 -1.53 0.00 0.00 36.38 31.75 1mjj s VAL 83 CO 0.35 -0.11 0.00 0.61 -3.33 0.00 0.00 175.10 172.62 1mjj n GLY 84 N 0.26 0.49 3.32 6.54 0.00 -1.25 -4.82 105.19 109.74 1mjj n GLY 84 Ca 0.11 -1.65 -0.34 0.00 0.00 0.00 0.00 46.02 44.13 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 -2.91 3.14 -0.19 1.61 1.01 -0.63 -0.88 120.40 121.56 1mjj s VAL 85 Ca 0.00 -0.59 -0.10 0.00 0.00 0.00 0.00 61.98 61.29 1mjj s VAL 85 Cb 0.00 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.95 1mjj s VAL 85 CO 0.00 0.47 0.13 -0.31 0.00 0.00 0.00 175.10 175.40 1mjj s TYR 86 N 1.01 3.44 0.03 5.22 1.51 0.46 -0.47 117.35 128.56 1mjj s TYR 86 Ca -0.01 0.36 0.07 0.00 -1.01 0.00 0.00 57.07 56.49 1mjj s TYR 86 Cb -0.15 -2.13 -0.02 0.00 -0.11 0.00 0.00 41.96 39.55 1mjj s TYR 86 CO -0.01 0.36 -0.20 0.71 -1.11 0.00 0.00 175.55 175.30 1mjj s TYR 87 N 0.14 1.78 0.04 2.71 1.51 -0.05 -0.09 117.35 123.39 1mjj s TYR 87 Ca 0.09 -0.36 0.04 0.00 -1.01 0.00 0.00 57.07 55.83 1mjj s TYR 87 Cb -0.11 -1.09 -0.04 0.00 -0.11 0.00 0.00 41.96 40.62 1mjj s TYR 87 CO -0.01 0.06 -0.07 0.00 -1.11 0.00 0.00 175.55 174.42 1mjj s LEU 89 N -1.69 1.59 -0.13 0.00 2.96 -0.73 -0.17 118.68 120.51 1mjj s LEU 89 Ca 0.19 -0.03 -0.05 0.00 -0.22 0.00 0.00 54.13 54.02 1mjj s LEU 89 Cb -0.11 -0.17 -0.04 0.00 0.50 0.00 0.00 46.19 46.37 1mjj s LEU 89 CO 0.10 -0.03 0.04 0.00 -1.32 0.00 0.00 176.35 175.14 1mjj s GLN 90 N 0.47 3.42 -0.13 1.98 1.03 -0.53 -0.15 119.66 125.74 1mjj s GLN 90 Ca -0.04 -0.34 0.15 0.00 0.04 0.00 0.00 55.36 55.16 1mjj s GLN 90 Cb -0.07 -3.00 0.37 0.00 0.03 0.00 0.00 33.01 30.34 1mjj s GLN 90 CO -0.01 0.56 1.18 -2.39 -2.54 0.00 0.00 175.29 172.09 1mjj n HIS 91 N 2.62 0.00 0.04 9.60 1.44 -0.92 -3.22 115.22 124.78 1mjj n HIS 91 Ca -0.18 -1.07 -0.11 0.00 -2.01 0.00 0.00 57.72 54.34 1mjj n HIS 91 Cb 0.53 -0.20 0.01 0.00 0.12 0.00 0.00 29.99 30.46 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 0.76 0.56 -7.79 2.39 5.85 -1.95 -3.47 115.31 111.68 1mjj h LEU 92 Ca -0.05 -0.37 -0.12 0.00 0.84 0.00 0.00 57.88 58.17 1mjj h LEU 92 Cb 1.24 -0.17 -0.18 0.00 0.37 0.00 0.00 40.66 41.92 1mjj h LEU 92 CO 0.02 1.12 -0.45 -1.61 -0.34 0.00 0.00 178.44 177.19 1mjj s GLU 93 N -3.63 0.62 0.18 1.25 2.02 -1.26 -5.11 118.70 112.77 1mjj s GLU 93 Ca -0.06 -0.62 -0.25 0.00 0.02 0.00 0.00 54.97 54.06 1mjj s GLU 93 Cb 0.10 0.25 -0.08 0.00 0.10 0.00 0.00 34.13 34.50 1mjj s GLU 93 CO 0.85 -0.17 0.79 0.71 0.02 0.00 0.00 175.26 177.46 1mjj s TYR 94 N -2.32 3.89 0.32 1.61 2.02 -1.26 -3.31 117.35 118.30 1mjj s TYR 94 Ca -0.07 1.64 -0.26 0.00 -0.37 0.00 0.00 57.07 58.00 1mjj s TYR 94 Cb -0.02 -2.77 -0.10 0.00 -0.40 0.00 0.00 41.96 38.67 1mjj s TYR 94 CO -0.03 0.49 0.97 -1.25 -1.57 0.00 0.00 175.55 174.16 1mjj s PRO 95 N -1.24 4.55 0.54 -1.71 0.04 -1.26 -4.95 135.00 130.96 1mjj s PRO 95 Ca 0.37 1.41 -0.21 0.00 0.04 0.00 0.00 61.00 62.61 1mjj s PRO 95 Cb -0.23 -2.83 -0.05 0.00 0.04 0.00 0.00 34.50 31.43 1mjj s PRO 95 CO 0.26 0.23 1.24 -0.06 0.04 0.00 0.00 177.00 178.71 1mjj s PHE 96 N -1.55 2.50 -0.00 0.56 0.08 -1.21 -4.69 117.98 113.66 1mjj s PHE 96 Ca 0.50 1.48 -0.00 0.00 0.12 0.00 0.00 56.93 59.03 1mjj s PHE 96 Cb -0.21 -3.55 0.00 0.00 -0.57 0.00 0.00 43.02 38.70 1mjj s PHE 96 CO 0.26 -2.21 0.01 0.95 -0.10 0.00 0.00 175.22 174.13 1mjj s THR 97 N -1.49 0.01 0.16 0.64 -4.23 -1.20 -5.02 115.64 104.51 1mjj s THR 97 Ca 0.72 -0.05 0.04 0.00 -1.18 0.00 0.00 61.69 61.23 1mjj s THR 97 Cb -0.33 -0.04 -0.04 0.00 1.34 0.00 0.00 72.50 73.44 1mjj s THR 97 CO 0.38 -0.03 0.18 -0.36 -0.54 0.00 0.00 174.62 174.25 1mjj s PHE 98 N -0.07 3.23 0.77 3.99 0.40 -1.26 -1.45 117.98 123.58 1mjj s PHE 98 Ca -0.01 0.01 -0.12 0.00 -0.60 0.00 0.00 56.93 56.22 1mjj s PHE 98 Cb -0.01 -1.55 0.05 0.00 0.51 0.00 0.00 43.02 42.03 1mjj s PHE 98 CO -0.00 0.52 1.14 0.20 0.70 0.00 0.00 175.22 177.77 1mjj s GLY 99 N -3.17 1.61 0.00 4.36 0.00 0.76 -4.59 107.32 106.29 1mjj s GLY 99 Ca 0.32 -0.48 0.17 0.00 0.00 0.00 0.00 44.72 44.73 1mjj s GLY 99 CO 0.25 -0.05 1.49 0.00 0.00 0.00 0.00 173.10 174.79 1mjj n ALA 100 N -3.20 2.00 0.00 3.20 0.00 -1.26 -4.71 120.51 116.55 1mjj n ALA 100 Ca 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.42 1mjj n ALA 100 Cb 0.59 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 0.14 -0.12 2.92 0.00 0.00 -1.26 -5.03 105.19 101.85 1mjj n GLY 101 Ca 0.10 -1.41 -0.28 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.56 1.19 -0.13 2.61 2.01 0.88 -4.66 115.64 115.97 1mjj s THR 102 Ca 0.00 -0.57 -0.28 0.00 0.31 0.00 0.00 61.69 61.15 1mjj s THR 102 Cb 0.00 -1.28 -0.01 0.00 0.01 0.00 0.00 72.50 71.21 1mjj s THR 102 CO 0.00 0.23 0.94 -0.75 -0.69 0.00 0.00 174.62 174.36 1mjj s LYS 103 N 1.61 4.38 -0.32 4.92 2.20 -0.24 -0.40 119.74 131.89 1mjj s LYS 103 Ca 0.02 1.26 -0.18 0.00 -0.36 0.00 0.00 55.97 56.71 1mjj s LYS 103 Cb -0.14 -3.55 -0.01 0.00 -1.51 0.00 0.00 37.83 32.61 1mjj s LYS 103 CO -0.08 -0.32 0.52 -1.17 -0.36 0.00 0.00 175.35 173.94 1mjj s LEU 104 N 2.07 4.24 -0.23 5.43 2.96 -0.05 -0.31 118.68 132.78 1mjj s LEU 104 Ca 0.45 0.16 -0.04 0.00 -0.22 0.00 0.00 54.13 54.48 1mjj s LEU 104 Cb -0.18 -2.63 0.00 0.00 0.50 0.00 0.00 46.19 43.89 1mjj s LEU 104 CO 0.16 -0.43 -0.03 -1.61 -1.32 0.00 0.00 176.35 173.12 1mjj s GLU 105 N 2.40 3.23 -0.60 1.98 2.02 -0.68 -3.86 118.70 123.19 1mjj s GLU 105 Ca 0.20 -0.72 -0.26 0.00 0.02 0.00 0.00 54.97 54.21 1mjj s GLU 105 Cb -0.15 -3.05 0.04 0.00 0.10 0.00 0.00 34.13 31.07 1mjj s GLU 105 CO 0.12 -0.27 1.09 -0.51 0.02 0.00 0.00 175.26 175.72 1mjj s LEU 106 N 1.45 3.73 -1.28 1.80 2.01 -1.26 -1.99 118.68 123.14 1mjj s LEU 106 Ca 0.04 -0.24 -0.19 0.00 0.01 0.00 0.00 54.13 53.75 1mjj s LEU 106 Cb -0.15 -2.88 0.04 0.00 0.01 0.00 0.00 46.19 43.21 1mjj s LEU 106 CO -0.03 -1.44 1.77 -0.54 1.01 0.00 0.00 176.35 177.12 1mjj s LYS 107 N 4.63 3.73 0.00 1.70 1.02 0.38 -4.92 119.74 126.29 1mjj s LYS 107 Ca 0.35 -1.85 0.00 0.00 0.02 0.00 0.00 55.97 54.49 1mjj s LYS 107 Cb -0.10 -5.49 0.00 0.00 -0.52 0.00 0.00 37.83 31.72 1mjj s LYS 107 CO 0.20 -2.55 0.00 2.89 -0.92 0.00 0.00 175.35 174.97 1mjj n ARG 108 N 8.39 0.32 -2.48 1.68 1.85 -1.26 -4.42 116.66 120.74 1mjj n ARG 108 Ca 0.48 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.93 1mjj n ARG 108 Cb 0.46 0.00 -0.04 0.00 -1.05 0.00 0.00 32.46 31.83 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 -3.57 3.41 0.61 2.89 0.00 -1.26 -4.97 121.76 118.87 1mjj s ALA 109 Ca 0.00 0.90 -0.20 0.00 0.00 0.00 0.00 51.96 52.66 1mjj s ALA 109 Cb 0.00 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 1mjj s ALA 109 CO 0.00 -0.16 1.31 -0.25 0.00 0.00 0.00 175.76 176.67 1mjj n ASP 110 N 1.19 2.30 -3.72 0.00 9.92 -1.26 -4.76 116.55 120.22 1mjj n ASP 110 Ca -0.01 0.89 -0.14 0.00 -0.53 0.00 0.00 54.79 55.00 1mjj n ASP 110 Cb 0.45 -1.56 -0.08 0.00 -0.64 0.00 0.00 41.12 39.28 1mjj n ASP 110 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1mjj s ALA 111 N -1.35 -0.95 0.25 2.24 0.00 -0.42 -4.90 121.76 116.63 1mjj s ALA 111 Ca 0.78 0.51 -0.12 0.00 0.00 0.00 0.00 51.96 53.13 1mjj s ALA 111 Cb -0.40 0.04 -0.08 0.00 0.00 0.00 0.00 23.12 22.69 1mjj s ALA 111 CO 0.44 -0.28 0.61 0.00 0.00 0.00 0.00 175.76 176.54 1mjj s ALA 112 N -1.26 3.49 0.62 0.00 0.00 -1.26 -1.58 121.76 121.76 1mjj s ALA 112 Ca -0.13 -0.14 -0.14 0.00 0.00 0.00 0.00 51.96 51.55 1mjj s ALA 112 Cb -0.04 -2.57 -0.03 0.00 0.00 0.00 0.00 23.12 20.49 1mjj s ALA 112 CO 0.05 0.44 1.06 -1.25 0.00 0.00 0.00 175.76 176.06 1mjj s PRO 113 N -2.71 3.23 -0.30 0.00 0.04 -1.26 -4.46 135.00 129.53 1mjj s PRO 113 Ca 0.48 1.13 -0.06 0.00 0.04 0.00 0.00 61.00 62.59 1mjj s PRO 113 Cb -0.12 -2.02 0.02 0.00 0.04 0.00 0.00 34.50 32.42 1mjj s PRO 113 CO 0.20 -0.88 0.07 0.99 0.04 0.00 0.00 177.00 177.42 1mjj s THR 114 N -2.61 3.79 -0.07 1.26 2.01 -0.19 -4.86 115.64 114.97 1mjj s THR 114 Ca 0.62 -0.84 -0.11 0.00 0.31 0.00 0.00 61.69 61.66 1mjj s THR 114 Cb -0.15 -3.00 -0.05 0.00 0.01 0.00 0.00 72.50 69.31 1mjj s THR 114 CO 0.42 0.03 0.27 -0.69 -0.69 0.00 0.00 174.62 173.95 1mjj s VAL 115 N 1.45 5.28 -0.06 3.82 1.01 -1.26 -0.97 120.40 129.68 1mjj s VAL 115 Ca 0.01 0.52 -0.03 0.00 0.00 0.00 0.00 61.98 62.48 1mjj s VAL 115 Cb -0.18 -3.56 0.03 0.00 0.00 0.00 0.00 36.38 32.67 1mjj s VAL 115 CO 0.02 0.58 0.13 -0.44 0.00 0.00 0.00 175.10 175.38 1mjj s SER 116 N -0.88 -0.09 -0.05 3.32 0.01 -0.82 -4.97 113.70 110.22 1mjj s SER 116 Ca 0.19 0.26 0.03 0.00 1.31 0.00 0.00 55.95 57.73 1mjj s SER 116 Cb -0.14 0.17 -0.03 0.00 0.21 0.00 0.00 66.02 66.23 1mjj s SER 116 CO 0.08 -0.12 -0.11 -0.51 0.41 0.00 0.00 173.24 172.99 1mjj s ILE 117 N 0.91 3.37 -0.10 1.44 2.07 -1.26 -1.13 121.20 126.49 1mjj s ILE 117 Ca -0.07 -0.65 0.01 0.00 -1.41 0.00 0.00 60.65 58.53 1mjj s ILE 117 Cb -0.09 -2.36 0.02 0.00 0.13 0.00 0.00 42.46 40.15 1mjj s ILE 117 CO -0.04 0.56 -0.13 -0.36 -1.91 0.00 0.00 174.94 173.06 1mjj s PHE 118 N -0.80 1.77 0.90 3.50 0.40 0.26 -4.99 117.98 119.02 1mjj s PHE 118 Ca 0.13 -0.83 -0.12 0.00 -0.60 0.00 0.00 56.93 55.51 1mjj s PHE 118 Cb -0.11 -1.32 0.13 0.00 0.51 0.00 0.00 43.02 42.24 1mjj s PHE 118 CO 0.02 -0.46 1.11 -2.14 0.70 0.00 0.00 175.22 174.44 1mjj s PRO 119 N 1.12 1.21 0.54 0.24 0.02 -1.26 -1.23 135.00 135.63 1mjj s PRO 119 Ca -0.05 0.55 -0.21 0.00 0.02 0.00 0.00 61.00 61.31 1mjj s PRO 119 Cb -0.14 -1.82 -0.05 0.00 0.02 0.00 0.00 34.50 32.50 1mjj s PRO 119 CO -0.03 -2.21 1.28 -2.14 -0.33 0.00 0.00 177.00 173.58 1mjj s PRO 120 N -5.09 3.25 0.47 5.54 0.02 -1.20 -4.77 135.00 133.22 1mjj s PRO 120 Ca 0.63 2.05 -0.20 0.00 0.02 0.00 0.00 61.00 63.51 1mjj s PRO 120 Cb -0.16 -2.23 -0.09 0.00 0.02 0.00 0.00 34.50 32.03 1mjj s PRO 120 CO 0.55 -1.05 1.00 -1.54 -0.33 0.00 0.00 177.00 175.63 1mjj s SER 121 N -1.17 6.60 0.25 2.53 1.04 -1.26 -4.92 113.70 116.77 1mjj s SER 121 Ca 0.71 1.78 -0.04 0.00 0.48 0.00 0.00 55.95 58.88 1mjj s SER 121 Cb -0.36 -2.54 0.38 0.00 0.10 0.00 0.00 66.02 63.60 1mjj s SER 121 CO 0.42 -0.60 1.85 0.77 0.98 0.00 0.00 173.24 176.66 1mjj h SER 122 N 1.58 0.87 0.38 7.02 4.64 -1.99 -1.25 113.55 124.80 1mjj h SER 122 Ca -0.49 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 60.85 1mjj h SER 122 Cb 1.20 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 63.10 1mjj h SER 122 CO 0.60 0.54 -0.48 -0.33 -0.87 0.00 0.00 176.83 176.28 1mjj h GLU 123 N 1.00 -0.86 -0.96 4.77 3.07 -2.00 -2.72 114.58 116.87 1mjj h GLU 123 Ca 0.40 0.06 0.06 0.00 -0.50 0.00 0.00 59.36 59.38 1mjj h GLU 123 Cb 0.23 0.19 -0.06 0.00 -0.84 0.00 0.00 28.75 28.28 1mjj h GLU 123 CO -0.19 -0.57 0.63 0.37 -1.40 0.00 0.00 179.01 177.84 1mjj h GLN 124 N -0.89 1.11 0.00 2.33 4.15 -1.77 -0.40 115.11 119.65 1mjj h GLN 124 Ca -0.05 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.31 1mjj h GLN 124 Cb 0.80 -0.25 0.00 0.00 0.21 0.00 0.00 27.48 28.24 1mjj h GLN 124 CO -0.12 0.74 0.25 -0.07 -1.93 0.00 0.00 178.83 177.70 1mjj h LEU 125 N 1.15 0.00 0.00 -2.39 3.38 -0.92 0.50 115.31 117.02 1mjj h LEU 125 Ca 0.41 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.38 1mjj h LEU 125 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1mjj h LEU 125 CO -0.15 0.00 -0.44 0.74 0.09 0.00 0.00 178.44 178.68 1mjj h THR 126 N 0.00 0.00 -0.00 0.22 2.02 -0.95 -3.18 112.91 111.02 1mjj h THR 126 Ca 0.00 -0.72 0.00 0.00 0.77 0.00 0.00 66.41 66.46 1mjj h THR 126 Cb 0.50 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 1mjj h THR 126 CO 0.00 0.00 -0.38 -1.54 0.37 0.00 0.00 175.52 173.97 1mjj n SER 127 N -2.50 0.61 0.00 4.18 3.41 0.17 -4.91 113.62 114.59 1mjj n SER 127 Ca 0.03 -0.40 0.00 0.00 -0.26 0.00 0.00 58.87 58.24 1mjj n SER 127 Cb 0.48 0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.59 1mjj n SER 127 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mjj n GLY 128 N 1.44 0.66 3.56 5.00 0.00 -1.16 -5.05 105.19 109.64 1mjj n GLY 128 Ca 0.08 -0.23 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 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 1.74 -0.11 -0.02 0.00 -1.22 -2.04 107.32 103.47 1mjj s GLY 129 Ca 0.00 -1.39 -0.03 0.00 0.00 0.00 0.00 44.72 43.29 1mjj s GLY 129 CO 0.00 -1.39 0.11 0.00 0.00 0.00 0.00 173.10 171.81 1mjj s ALA 130 N -1.48 0.16 -0.06 3.20 0.00 -0.93 -3.62 121.76 119.03 1mjj s ALA 130 Ca 0.23 0.12 0.06 0.00 0.00 0.00 0.00 51.96 52.37 1mjj s ALA 130 Cb -0.10 -0.86 -0.01 0.00 0.00 0.00 0.00 23.12 22.15 1mjj s ALA 130 CO 0.14 -0.79 -0.25 -1.12 0.00 0.00 0.00 175.76 173.74 1mjj s SER 131 N 2.20 3.08 -0.15 0.00 0.01 -1.26 -0.31 113.70 117.27 1mjj s SER 131 Ca 0.04 -0.51 -0.01 0.00 1.31 0.00 0.00 55.95 56.78 1mjj s SER 131 Cb -0.14 -0.82 -0.02 0.00 0.21 0.00 0.00 66.02 65.26 1mjj s SER 131 CO -0.06 0.25 -0.10 -0.69 0.41 0.00 0.00 173.24 173.04 1mjj s VAL 132 N -0.19 3.22 -0.02 3.43 1.01 0.36 -3.21 120.40 125.01 1mjj s VAL 132 Ca -0.03 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.39 1mjj s VAL 132 Cb -0.14 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 1mjj s VAL 132 CO 0.03 0.51 -0.10 -0.69 0.00 0.00 0.00 175.10 174.85 1mjj s VAL 133 N 0.52 3.43 -0.03 2.92 1.01 -0.37 -0.77 120.40 127.12 1mjj s VAL 133 Ca -0.07 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.15 1mjj s VAL 133 Cb -0.15 -2.44 0.03 0.00 0.00 0.00 0.00 36.38 33.81 1mjj s VAL 133 CO 0.04 0.46 0.01 0.00 0.00 0.00 0.00 175.10 175.61 1mjj s PHE 135 N 1.22 3.08 -0.47 0.00 0.08 -0.28 -0.25 117.98 121.36 1mjj s PHE 135 Ca -0.07 -0.33 -0.10 0.00 0.12 0.00 0.00 56.93 56.55 1mjj s PHE 135 Cb -0.13 -2.09 0.12 0.00 -0.57 0.00 0.00 43.02 40.34 1mjj s PHE 135 CO -0.02 -0.16 0.35 -0.51 -0.10 0.00 0.00 175.22 174.78 1mjj s LEU 136 N 0.90 5.68 -0.01 -0.37 1.02 0.71 -1.94 118.68 124.67 1mjj s LEU 136 Ca 0.02 -1.86 0.01 0.00 0.02 0.00 0.00 54.13 52.32 1mjj s LEU 136 Cb -0.14 -2.02 -0.04 0.00 0.02 0.00 0.00 46.19 44.01 1mjj s LEU 136 CO 0.02 -0.69 0.02 0.20 0.02 0.00 0.00 176.35 175.92 1mjj s ASN 137 N 2.68 5.24 -0.95 2.29 0.01 -0.15 -0.18 114.94 123.89 1mjj s ASN 137 Ca 0.05 0.04 -0.09 0.00 -0.71 0.00 0.00 52.86 52.15 1mjj s ASN 137 Cb -0.26 -1.41 -0.01 0.00 0.41 0.00 0.00 41.25 39.98 1mjj s ASN 137 CO -0.00 0.29 0.73 0.59 -1.51 0.00 0.00 177.10 177.20 1mjj n ASN 138 N 1.43 -5.99 -4.48 -1.22 4.13 -0.82 -1.02 115.26 107.29 1mjj n ASN 138 Ca -0.15 -0.73 -0.26 0.00 1.68 0.00 0.00 54.58 55.13 1mjj n ASN 138 Cb 0.53 -3.60 -0.10 0.00 -1.54 0.00 0.00 39.78 35.07 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 -3.21 2.05 -0.28 3.10 -0.12 -0.20 -4.53 117.98 114.79 1mjj s PHE 139 Ca 0.23 -0.95 -0.24 0.00 -0.05 0.00 0.00 56.93 55.92 1mjj s PHE 139 Cb -0.08 -1.44 0.13 0.00 -0.63 0.00 0.00 43.02 41.00 1mjj s PHE 139 CO 0.83 0.10 1.03 -0.47 -0.05 0.00 0.00 175.22 176.66 1mjj s TYR 140 N -3.07 -0.49 1.29 3.49 5.04 -0.61 -0.70 117.35 122.30 1mjj s TYR 140 Ca 0.28 1.15 -0.21 0.00 -2.44 0.00 0.00 57.07 55.86 1mjj s TYR 140 Cb 0.07 0.37 0.32 0.00 0.35 0.00 0.00 41.96 43.06 1mjj s TYR 140 CO 0.14 -0.24 1.04 -1.25 -1.34 0.00 0.00 175.55 173.91 1mjj s PRO 141 N 0.39 -1.91 0.49 4.97 0.04 -1.26 -1.31 135.00 136.41 1mjj s PRO 141 Ca 0.01 -0.00 0.14 0.00 0.04 0.00 0.00 61.00 61.20 1mjj s PRO 141 Cb -0.05 -1.51 1.15 0.00 0.04 0.00 0.00 34.50 34.13 1mjj s PRO 141 CO -0.08 -4.18 2.10 -0.22 0.04 0.00 0.00 177.00 174.67 1mjj h LYS 142 N -2.91 0.09 -6.66 4.56 3.64 -1.98 -3.43 116.57 109.86 1mjj h LYS 142 Ca -0.44 -0.01 -0.53 0.00 -1.27 0.00 0.00 60.65 58.40 1mjj h LYS 142 Cb 1.31 -0.02 0.04 0.00 -0.41 0.00 0.00 32.23 33.15 1mjj h LYS 142 CO 0.31 0.09 0.76 -0.51 -2.27 0.00 0.00 179.45 177.84 1mjj s ASP 143 N -7.00 6.71 -0.09 4.20 1.11 -1.26 -4.98 116.67 115.36 1mjj s ASP 143 Ca -0.05 2.54 -0.30 0.00 0.18 0.00 0.00 52.55 54.92 1mjj s ASP 143 Cb 0.17 -2.61 0.11 0.00 1.07 0.00 0.00 42.92 41.66 1mjj s ASP 143 CO 0.69 -0.69 0.88 -0.51 1.18 0.00 0.00 175.17 176.71 1mjj s ILE 144 N 0.52 0.00 0.02 0.77 2.07 -1.26 -4.56 121.20 118.75 1mjj s ILE 144 Ca 0.63 0.00 0.06 0.00 -1.41 0.00 0.00 60.65 59.93 1mjj s ILE 144 Cb -0.40 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.17 1mjj s ILE 144 CO 0.37 0.00 -0.19 0.20 -1.91 0.00 0.00 174.94 173.41 1mjj s ASN 145 N -1.44 2.28 -0.03 4.50 0.01 -0.74 -5.01 114.94 114.51 1mjj s ASN 145 Ca -0.03 -0.44 0.07 0.00 -0.71 0.00 0.00 52.86 51.75 1mjj s ASN 145 Cb -0.00 -0.21 -0.02 0.00 0.41 0.00 0.00 41.25 41.43 1mjj s ASN 145 CO 0.01 0.18 -0.24 -0.69 -1.51 0.00 0.00 177.10 174.85 1mjj s VAL 146 N -0.65 1.93 -0.07 1.60 1.01 -1.26 -1.24 120.40 121.71 1mjj s VAL 146 Ca 0.07 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 61.04 1mjj s VAL 146 Cb -0.08 -1.61 0.01 0.00 0.00 0.00 0.00 36.38 34.70 1mjj s VAL 146 CO 0.01 0.54 -0.12 -0.75 0.00 0.00 0.00 175.10 174.78 1mjj s LYS 147 N -0.42 1.70 -0.05 2.72 2.20 -0.50 -4.99 119.74 120.39 1mjj s LYS 147 Ca 0.05 -0.41 -0.03 0.00 -0.36 0.00 0.00 55.97 55.23 1mjj s LYS 147 Cb -0.11 -1.42 -0.04 0.00 -1.51 0.00 0.00 37.83 34.76 1mjj s LYS 147 CO 0.01 0.01 0.09 -1.58 -0.36 0.00 0.00 175.35 173.52 1mjj s TRP 148 N 0.71 3.36 0.04 4.03 0.52 -1.26 -1.60 118.94 124.74 1mjj s TRP 148 Ca -0.14 0.30 0.04 0.00 0.02 0.00 0.00 56.10 56.32 1mjj s TRP 148 Cb -0.16 -1.81 -0.02 0.00 -1.15 0.00 0.00 33.47 30.33 1mjj s TRP 148 CO 0.03 0.59 -0.11 0.15 0.02 0.00 0.00 176.95 177.63 1mjj s LYS 149 N -1.37 0.71 -0.17 4.98 1.02 -0.56 -0.51 119.74 123.84 1mjj s LYS 149 Ca 0.19 -0.72 -0.01 0.00 0.02 0.00 0.00 55.97 55.45 1mjj s LYS 149 Cb -0.12 -0.63 0.04 0.00 -0.52 0.00 0.00 37.83 36.60 1mjj s LYS 149 CO 0.09 0.15 -0.04 0.42 -0.92 0.00 0.00 175.35 175.04 1mjj s ILE 150 N -1.02 1.08 -1.46 2.17 1.01 0.10 -1.40 121.20 121.68 1mjj s ILE 150 Ca -0.03 -0.65 -0.11 0.00 0.00 0.00 0.00 60.65 59.86 1mjj s ILE 150 Cb -0.08 -1.29 0.06 0.00 0.01 0.00 0.00 42.46 41.16 1mjj s ILE 150 CO 0.01 0.09 1.02 0.47 0.00 0.00 0.00 174.94 176.52 1mjj n ASP 151 N 4.88 -4.84 0.00 3.58 10.43 0.37 -1.77 116.55 129.19 1mjj n ASP 151 Ca -0.12 -0.72 0.00 0.00 2.57 0.00 0.00 54.79 56.53 1mjj n ASP 151 Cb 0.47 -4.23 0.00 0.00 1.84 0.00 0.00 41.12 39.20 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 -1.75 2.91 3.80 0.44 0.00 -1.26 -5.01 105.19 104.32 1mjj n GLY 152 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.40 6.74 0.14 1.61 0.01 -0.73 -4.98 113.70 114.09 1mjj s SER 153 Ca 0.00 0.88 -0.31 0.00 1.31 0.00 0.00 55.95 57.83 1mjj s SER 153 Cb 0.00 -2.25 -0.10 0.00 0.21 0.00 0.00 66.02 63.89 1mjj s SER 153 CO 0.00 0.24 1.58 -0.70 0.41 0.00 0.00 173.24 174.77 1mjj s GLU 154 N -0.60 4.22 -0.27 12.44 2.12 -1.26 -0.73 118.70 134.62 1mjj s GLU 154 Ca 0.23 2.34 -0.05 0.00 0.36 0.00 0.00 54.97 57.85 1mjj s GLU 154 Cb -0.16 -3.26 0.01 0.00 0.26 0.00 0.00 34.13 30.98 1mjj s GLU 154 CO 0.12 -0.63 0.02 0.50 -0.54 0.00 0.00 175.26 174.73 1mjj s ARG 155 N 1.46 3.09 -0.06 4.30 6.06 0.33 -4.92 118.95 129.22 1mjj s ARG 155 Ca 0.71 -0.83 0.20 0.00 -2.50 0.00 0.00 55.73 53.30 1mjj s ARG 155 Cb -0.43 -3.20 -0.26 0.00 0.06 0.00 0.00 34.95 31.12 1mjj s ARG 155 CO 0.31 -0.38 0.42 1.04 -2.50 0.00 0.00 175.30 174.20 1mjj n GLN 156 N 4.80 0.66 -3.87 5.12 6.02 -1.26 -4.27 117.38 124.58 1mjj n GLN 156 Ca -0.16 -0.05 -0.26 0.00 -0.01 0.00 0.00 57.00 56.52 1mjj n GLN 156 Cb 0.48 -1.58 -0.03 0.00 1.02 0.00 0.00 30.24 30.13 1mjj n GLN 156 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 1mjj s ASN 157 N -5.09 6.35 0.00 1.08 0.02 -1.26 -4.49 114.94 111.56 1mjj s ASN 157 Ca -0.08 0.23 0.00 0.00 -1.02 0.00 0.00 52.86 52.00 1mjj s ASN 157 Cb 0.10 -1.94 0.00 0.00 0.02 0.00 0.00 41.25 39.44 1mjj s ASN 157 CO 0.86 0.02 0.00 0.61 0.02 0.00 0.00 177.10 178.61 1mjj n GLY 158 N -0.60 0.43 3.70 0.66 0.00 -1.26 -4.80 105.19 103.32 1mjj n GLY 158 Ca -0.06 -1.01 -0.35 0.00 0.00 0.00 0.00 46.02 44.59 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 -2.00 4.91 -0.15 1.61 1.01 -1.26 -0.02 120.40 124.50 1mjj s VAL 159 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1mjj s VAL 159 Cb 0.00 -3.18 0.02 0.00 0.00 0.00 0.00 36.38 33.23 1mjj s VAL 159 CO 0.00 0.52 -0.14 -0.76 0.00 0.00 0.00 175.10 174.72 1mjj s LEU 160 N -0.12 1.70 0.03 3.92 1.43 0.58 -4.95 118.68 121.26 1mjj s LEU 160 Ca 0.08 -0.50 0.05 0.00 -1.03 0.00 0.00 54.13 52.73 1mjj s LEU 160 Cb -0.12 -1.17 -0.03 0.00 0.03 0.00 0.00 46.19 44.90 1mjj s LEU 160 CO 0.01 -0.06 -0.11 0.20 0.23 0.00 0.00 176.35 176.62 1mjj s ASN 161 N 1.49 4.33 -0.10 2.29 0.01 -1.26 -0.11 114.94 121.60 1mjj s ASN 161 Ca 0.05 -0.27 -0.06 0.00 -0.71 0.00 0.00 52.86 51.87 1mjj s ASN 161 Cb -0.13 -0.90 0.04 0.00 0.41 0.00 0.00 41.25 40.68 1mjj s ASN 161 CO -0.11 0.26 0.23 -0.55 -1.51 0.00 0.00 177.10 175.42 1mjj s SER 162 N -1.55 -0.24 -0.10 -1.22 0.15 -0.31 -4.98 113.70 105.44 1mjj s SER 162 Ca 0.17 0.49 -0.04 0.00 0.70 0.00 0.00 55.95 57.27 1mjj s SER 162 Cb -0.11 0.40 -0.04 0.00 -1.71 0.00 0.00 66.02 64.56 1mjj s SER 162 CO 0.08 -0.15 0.05 0.26 1.20 0.00 0.00 173.24 174.68 1mjj s TRP 163 N 1.02 3.31 0.85 3.44 0.51 -1.26 -0.99 118.94 125.82 1mjj s TRP 163 Ca -0.07 0.29 -0.12 0.00 -2.12 0.00 0.00 56.10 54.08 1mjj s TRP 163 Cb -0.09 -1.86 0.11 0.00 -0.81 0.00 0.00 33.47 30.82 1mjj s TRP 163 CO -0.06 0.53 1.17 0.95 -0.51 0.00 0.00 176.95 179.03 1mjj s THR 164 N -0.84 2.00 0.67 2.01 -4.23 -0.36 -5.00 115.64 109.88 1mjj s THR 164 Ca 0.13 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 60.56 1mjj s THR 164 Cb -0.12 -2.91 0.03 0.00 1.34 0.00 0.00 72.50 70.84 1mjj s THR 164 CO 0.03 0.00 1.00 -1.81 -0.54 0.00 0.00 174.62 173.30 1mjj s ASP 165 N -4.39 5.30 0.13 3.99 1.01 -1.26 -4.65 116.67 116.80 1mjj s ASP 165 Ca 0.63 0.79 -0.34 0.00 0.71 0.00 0.00 52.55 54.34 1mjj s ASP 165 Cb -0.12 -1.61 -0.13 0.00 1.01 0.00 0.00 42.92 42.06 1mjj s ASP 165 CO 0.51 -1.32 1.62 1.67 0.21 0.00 0.00 175.17 177.86 1mjj n GLN 166 N -2.84 2.17 -1.83 8.23 7.27 -1.26 -4.78 117.38 124.34 1mjj n GLN 166 Ca 0.06 0.78 -0.42 0.00 0.07 0.00 0.00 57.00 57.50 1mjj n GLN 166 Cb 0.58 -2.57 -0.03 0.00 2.41 0.00 0.00 30.24 30.64 1mjj n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 1mjj s ASP 167 N 1.38 6.48 0.44 1.69 -1.08 0.03 -4.88 116.67 120.73 1mjj s ASP 167 Ca 0.81 2.75 0.13 0.00 -0.52 0.00 0.00 52.55 55.72 1mjj s ASP 167 Cb -0.68 -2.60 0.99 0.00 -1.46 0.00 0.00 42.92 39.17 1mjj s ASP 167 CO 0.40 -0.90 2.00 0.77 0.52 0.00 0.00 175.17 177.96 1mjj h SER 168 N 6.76 0.07 0.42 -0.34 4.64 -1.90 0.80 113.55 124.00 1mjj h SER 168 Ca -0.43 -0.01 -0.30 0.00 -0.47 0.00 0.00 61.79 60.58 1mjj h SER 168 Cb 1.20 -0.02 -0.05 0.00 -0.31 0.00 0.00 62.40 63.22 1mjj h SER 168 CO 0.93 0.21 -1.80 0.29 -0.87 0.00 0.00 176.83 175.59 1mjj n LYS 169 N -4.35 0.64 0.00 4.77 5.02 -1.26 -1.56 118.16 121.42 1mjj n LYS 169 Ca -0.02 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 1mjj n LYS 169 Cb 0.22 -1.76 0.00 0.00 -0.02 0.00 0.00 35.03 33.47 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 -3.01 0.75 0.00 4.39 3.85 -1.22 -4.81 116.55 116.49 1mjj n ASP 170 Ca -0.19 -1.25 0.00 0.00 -0.71 0.00 0.00 54.79 52.64 1mjj n ASP 170 Cb 1.07 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.84 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 -0.12 -2.41 -4.33 -1.12 7.64 0.27 -4.95 113.62 108.60 1mjj n SER 171 Ca 0.00 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.59 1mjj n SER 171 Cb 0.25 -2.28 0.16 0.00 -1.01 0.00 0.00 64.21 61.33 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 -1.52 2.02 0.31 0.44 -4.23 -1.26 -4.42 115.64 106.98 1mjj s THR 172 Ca 0.00 -0.07 0.10 0.00 -1.18 0.00 0.00 61.69 60.54 1mjj s THR 172 Cb 0.00 -2.95 -0.06 0.00 1.34 0.00 0.00 72.50 70.83 1mjj s THR 172 CO 0.00 0.00 -0.14 -0.31 -0.54 0.00 0.00 174.62 173.63 1mjj s TYR 173 N -3.75 2.30 0.05 3.99 2.02 0.12 -0.79 117.35 121.30 1mjj s TYR 173 Ca 0.71 -0.45 -0.01 0.00 -0.37 0.00 0.00 57.07 56.95 1mjj s TYR 173 Cb -0.05 -1.19 -0.04 0.00 -0.40 0.00 0.00 41.96 40.28 1mjj s TYR 173 CO 0.51 0.61 -0.02 -1.12 -1.57 0.00 0.00 175.55 173.96 1mjj s SER 174 N -3.55 0.45 -0.11 2.29 0.01 -1.26 -1.03 113.70 110.49 1mjj s SER 174 Ca 0.31 -0.93 -0.10 0.00 1.31 0.00 0.00 55.95 56.54 1mjj s SER 174 Cb -0.00 0.19 0.03 0.00 0.21 0.00 0.00 66.02 66.45 1mjj s SER 174 CO 0.15 -0.57 0.30 -0.32 0.41 0.00 0.00 173.24 173.22 1mjj s MET 175 N -3.62 0.35 -0.04 12.44 1.75 0.75 -1.22 119.30 129.71 1mjj s MET 175 Ca 0.04 0.43 0.03 0.00 -1.25 0.00 0.00 55.69 54.94 1mjj s MET 175 Cb 0.06 0.16 -0.03 0.00 2.84 0.00 0.00 34.83 37.86 1mjj s MET 175 CO -0.09 -0.05 -0.11 -1.54 -0.65 0.00 0.00 175.02 172.58 1mjj s SER 176 N 0.21 4.28 -0.11 1.11 1.04 -0.16 -0.21 113.70 119.86 1mjj s SER 176 Ca -0.00 -0.16 0.01 0.00 0.48 0.00 0.00 55.95 56.27 1mjj s SER 176 Cb -0.02 -0.95 0.02 0.00 0.10 0.00 0.00 66.02 65.16 1mjj s SER 176 CO -0.00 0.33 -0.11 -0.55 0.98 0.00 0.00 173.24 173.89 1mjj s SER 177 N -0.94 2.25 -0.18 7.02 0.15 0.65 -1.16 113.70 121.49 1mjj s SER 177 Ca 0.13 -0.36 -0.01 0.00 0.70 0.00 0.00 55.95 56.41 1mjj s SER 177 Cb -0.11 -0.95 -0.00 0.00 -1.71 0.00 0.00 66.02 63.25 1mjj s SER 177 CO 0.02 -0.05 -0.12 -0.89 1.20 0.00 0.00 173.24 173.40 1mjj s THR 178 N 1.34 2.91 -0.23 6.45 2.01 0.84 -1.06 115.64 127.90 1mjj s THR 178 Ca -0.01 -0.67 -0.10 0.00 0.31 0.00 0.00 61.69 61.22 1mjj s THR 178 Cb -0.14 -2.26 -0.05 0.00 0.01 0.00 0.00 72.50 70.06 1mjj s THR 178 CO -0.05 0.49 0.13 -0.22 -0.69 0.00 0.00 174.62 174.28 1mjj s LEU 179 N 1.01 3.99 -0.08 4.42 2.96 0.05 -0.31 118.68 130.73 1mjj s LEU 179 Ca -0.01 0.07 0.01 0.00 -0.22 0.00 0.00 54.13 53.98 1mjj s LEU 179 Cb -0.15 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.46 1mjj s LEU 179 CO -0.02 0.07 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.11 1mjj s THR 180 N 1.01 3.57 0.29 3.68 2.01 0.97 -0.48 115.64 126.69 1mjj s THR 180 Ca 0.07 -0.52 0.02 0.00 0.31 0.00 0.00 61.69 61.57 1mjj s THR 180 Cb -0.14 -2.46 -0.03 0.00 0.01 0.00 0.00 72.50 69.89 1mjj s THR 180 CO 0.04 0.58 0.28 -0.76 -0.69 0.00 0.00 174.62 174.07 1mjj s LEU 181 N -0.61 1.38 0.22 4.42 1.43 0.58 -4.73 118.68 121.36 1mjj s LEU 181 Ca 0.09 -1.56 -0.09 0.00 -1.03 0.00 0.00 54.13 51.54 1mjj s LEU 181 Cb -0.12 0.72 -0.07 0.00 0.03 0.00 0.00 46.19 46.76 1mjj s LEU 181 CO 0.02 -1.04 0.52 0.42 0.23 0.00 0.00 176.35 176.50 1mjj s THR 182 N -3.61 4.97 0.47 5.49 -4.23 -1.26 -2.19 115.64 115.28 1mjj s THR 182 Ca 0.38 0.41 0.23 0.00 -1.18 0.00 0.00 61.69 61.52 1mjj s THR 182 Cb 0.03 -3.62 0.41 0.00 1.34 0.00 0.00 72.50 70.66 1mjj s THR 182 CO 0.21 -0.05 1.90 0.50 -0.54 0.00 0.00 174.62 176.63 1mjj h LYS 183 N 2.59 0.22 0.11 3.99 3.11 -1.67 -0.68 116.57 124.24 1mjj h LYS 183 Ca -0.47 -0.01 -0.01 0.00 -2.81 0.00 0.00 60.65 57.35 1mjj h LYS 183 Cb 1.17 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 32.35 1mjj h LYS 183 CO 0.70 0.14 -0.05 -0.44 -2.81 0.00 0.00 179.45 176.99 1mjj h ASP 184 N 0.23 -0.12 0.02 4.20 3.32 -1.92 -1.02 116.42 121.12 1mjj h ASP 184 Ca 0.41 -0.35 0.03 0.00 0.02 0.00 0.00 57.03 57.14 1mjj h ASP 184 Cb 1.26 0.03 -0.05 0.00 0.22 0.00 0.00 39.33 40.79 1mjj h ASP 184 CO -0.09 0.31 -0.36 -0.33 -1.72 0.00 0.00 179.24 177.05 1mjj h GLU 185 N -0.58 -0.51 -0.78 3.56 5.08 -1.65 -1.11 114.58 118.59 1mjj h GLU 185 Ca -0.01 0.03 0.15 0.00 -1.00 0.00 0.00 59.36 58.54 1mjj h GLU 185 Cb 0.46 0.12 -0.10 0.00 0.50 0.00 0.00 28.75 29.73 1mjj h GLU 185 CO 0.02 -0.34 0.32 -0.92 -1.00 0.00 0.00 179.01 177.09 1mjj h TYR 186 N -0.53 0.54 0.00 4.33 3.20 -1.19 -0.83 116.97 122.48 1mjj h TYR 186 Ca 0.05 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.90 1mjj h TYR 186 Cb 0.60 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 1mjj h TYR 186 CO -0.37 0.05 -0.30 0.93 -1.64 0.00 0.00 178.16 176.83 1mjj h GLU 187 N 0.44 0.00 -0.44 1.82 4.39 -0.44 -2.97 114.58 117.39 1mjj h GLU 187 Ca 0.44 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.14 1mjj h GLU 187 Cb 0.70 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 1mjj h GLU 187 CO -0.43 0.30 0.00 0.54 -1.16 0.00 0.00 179.01 178.26 1mjj n ARG 188 N -3.63 1.92 -4.23 2.33 1.74 -0.33 -4.89 116.66 109.58 1mjj n ARG 188 Ca -0.01 -1.13 -0.13 0.00 -0.77 0.00 0.00 57.85 55.82 1mjj n ARG 188 Cb 0.42 -1.38 -0.10 0.00 -1.02 0.00 0.00 32.46 30.38 1mjj n ARG 188 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 1mjj s HIS 189 N -1.63 1.20 0.00 -1.55 3.76 -1.12 -5.06 115.29 110.89 1mjj s HIS 189 Ca 0.21 -1.23 0.00 0.00 -0.15 0.00 0.00 55.06 53.88 1mjj s HIS 189 Cb 0.12 -0.65 0.00 0.00 1.11 0.00 0.00 32.58 33.16 1mjj s HIS 189 CO 0.12 -0.46 0.00 0.09 -0.85 0.00 0.00 174.74 173.64 1mjj n ASN 190 N -0.28 2.41 -4.58 1.40 4.13 -1.26 -4.80 115.26 112.29 1mjj n ASN 190 Ca -0.02 0.00 -0.34 0.00 1.68 0.00 0.00 54.58 55.90 1mjj n ASN 190 Cb 0.65 0.00 -0.11 0.00 -1.54 0.00 0.00 39.78 38.78 1mjj n ASN 190 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1mjj s SER 191 N -4.00 5.33 -0.12 6.41 0.15 -1.26 -0.13 113.70 120.08 1mjj s SER 191 Ca 0.00 -0.00 0.02 0.00 0.70 0.00 0.00 55.95 56.67 1mjj s SER 191 Cb 0.00 -1.90 0.01 0.00 -1.71 0.00 0.00 66.02 62.42 1mjj s SER 191 CO 0.00 0.16 -0.20 -0.31 1.20 0.00 0.00 173.24 174.09 1mjj s TYR 192 N 0.44 2.37 -0.01 3.44 2.02 -0.75 -0.48 117.35 124.39 1mjj s TYR 192 Ca 0.01 -1.13 0.05 0.00 -0.37 0.00 0.00 57.07 55.63 1mjj s TYR 192 Cb -0.13 -1.64 -0.01 0.00 -0.40 0.00 0.00 41.96 39.78 1mjj s TYR 192 CO 0.01 -0.52 -0.17 0.99 -1.57 0.00 0.00 175.55 174.29 1mjj s THR 193 N 0.79 1.34 -0.16 -0.71 2.01 -0.49 -1.68 115.64 116.74 1mjj s THR 193 Ca -0.09 -0.73 0.01 0.00 0.31 0.00 0.00 61.69 61.19 1mjj s THR 193 Cb -0.16 -1.12 0.01 0.00 0.01 0.00 0.00 72.50 71.24 1mjj s THR 193 CO 0.00 0.38 -0.17 0.00 -0.69 0.00 0.00 174.62 174.14 1mjj s GLU 195 N 0.99 2.18 -0.18 0.00 2.02 -0.63 -0.76 118.70 122.33 1mjj s GLU 195 Ca -0.02 -0.53 -0.06 0.00 0.02 0.00 0.00 54.97 54.38 1mjj s GLU 195 Cb -0.15 -1.93 -0.03 0.00 0.10 0.00 0.00 34.13 32.12 1mjj s GLU 195 CO -0.04 -0.14 0.02 0.00 0.02 0.00 0.00 175.26 175.12 1mjj s ALA 196 N 1.21 3.18 -0.26 5.21 0.00 0.00 -1.40 121.76 129.70 1mjj s ALA 196 Ca -0.02 -0.85 -0.02 0.00 0.00 0.00 0.00 51.96 51.07 1mjj s ALA 196 Cb -0.14 -1.79 0.03 0.00 0.00 0.00 0.00 23.12 21.22 1mjj s ALA 196 CO -0.05 0.07 -0.05 0.99 0.00 0.00 0.00 175.76 176.72 1mjj s THR 197 N 0.60 2.95 0.22 0.00 2.01 -0.38 -0.10 115.64 120.93 1mjj s THR 197 Ca 0.01 -1.04 0.09 0.00 0.31 0.00 0.00 61.69 61.05 1mjj s THR 197 Cb -0.14 -2.52 -0.05 0.00 0.01 0.00 0.00 72.50 69.81 1mjj s THR 197 CO 0.02 0.16 -0.16 -2.28 -0.69 0.00 0.00 174.62 171.66 1mjj s HIS 198 N 1.33 1.87 0.52 4.92 2.46 -1.26 -1.79 115.29 123.33 1mjj s HIS 198 Ca -0.00 -0.50 0.29 0.00 0.47 0.00 0.00 55.06 55.32 1mjj s HIS 198 Cb -0.17 -0.86 1.42 0.00 -0.13 0.00 0.00 32.58 32.84 1mjj s HIS 198 CO -0.04 0.44 1.90 -0.22 -2.47 0.00 0.00 174.74 174.35 1mjj h LYS 199 N 2.61 0.05 -0.58 2.88 3.64 -1.93 -2.58 116.57 120.66 1mjj h LYS 199 Ca -0.39 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1mjj h LYS 199 Cb 1.23 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1mjj h LYS 199 CO 0.60 0.04 0.00 0.25 -2.27 0.00 0.00 179.45 178.06 1mjj n THR 200 N -4.32 0.00 0.00 1.00 -2.24 -1.26 -4.78 114.28 102.68 1mjj n THR 200 Ca 0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 1mjj n THR 200 Cb 0.89 -0.31 0.00 0.00 -2.10 0.00 0.00 70.33 68.81 1mjj n THR 200 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1mjj n SER 201 N 0.09 0.00 0.16 3.42 2.88 -0.97 -4.98 113.62 114.22 1mjj n SER 201 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 1mjj n SER 201 Cb 0.15 0.00 0.29 0.00 -0.75 0.00 0.00 64.21 63.90 1mjj n SER 201 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1mjj h THR 202 N 0.47 0.00 -3.36 2.46 1.35 -1.86 -3.38 112.91 108.59 1mjj h THR 202 Ca 0.00 -0.72 -0.57 0.00 -0.55 0.00 0.00 66.41 64.57 1mjj h THR 202 Cb 0.00 1.71 -0.06 0.00 -1.73 0.00 0.00 68.15 68.07 1mjj h THR 202 CO 0.00 0.00 0.16 -0.94 -0.25 0.00 0.00 175.52 174.49 1mjj s SER 203 N -5.30 6.95 0.58 5.36 1.04 -1.26 -5.02 113.70 116.05 1mjj s SER 203 Ca 0.09 1.15 -0.18 0.00 0.48 0.00 0.00 55.95 57.49 1mjj s SER 203 Cb 0.09 -2.42 -0.04 0.00 0.10 0.00 0.00 66.02 63.75 1mjj s SER 203 CO 0.63 -0.20 1.12 -2.16 0.98 0.00 0.00 173.24 173.61 1mjj s PRO 204 N 1.23 3.22 -0.33 4.02 0.04 -1.26 -4.83 135.00 137.09 1mjj s PRO 204 Ca 0.37 1.52 -0.18 0.00 0.04 0.00 0.00 61.00 62.75 1mjj s PRO 204 Cb -0.17 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.36 1mjj s PRO 204 CO 0.16 -0.94 0.52 0.42 0.04 0.00 0.00 177.00 177.20 1mjj s ILE 205 N -1.97 5.02 -0.05 0.56 -1.09 0.86 -4.88 121.20 119.64 1mjj s ILE 205 Ca 0.70 0.48 0.02 0.00 -2.23 0.00 0.00 60.65 59.63 1mjj s ILE 205 Cb -0.22 -3.94 -0.03 0.00 -1.58 0.00 0.00 42.46 36.69 1mjj s ILE 205 CO 0.31 -0.15 -0.11 -0.69 -1.23 0.00 0.00 174.94 173.07 1mjj s VAL 206 N 2.40 3.37 -0.01 2.92 1.01 -1.26 -0.82 120.40 128.01 1mjj s VAL 206 Ca 0.20 -0.63 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 1mjj s VAL 206 Cb -0.15 -2.36 0.02 0.00 0.00 0.00 0.00 36.38 33.89 1mjj s VAL 206 CO 0.13 0.58 0.02 -0.54 0.00 0.00 0.00 175.10 175.29 1mjj s LYS 207 N -0.82 -0.01 0.24 2.72 -0.14 0.07 -5.01 119.74 116.78 1mjj s LYS 207 Ca 0.12 0.11 -0.11 0.00 -1.36 0.00 0.00 55.97 54.73 1mjj s LYS 207 Cb -0.11 -0.12 -0.01 0.00 -1.68 0.00 0.00 37.83 35.91 1mjj s LYS 207 CO 0.01 -0.09 0.42 -1.54 -0.76 0.00 0.00 175.35 173.39 1mjj s SER 208 N 0.57 -0.05 0.02 2.83 1.04 -1.26 0.45 113.70 117.30 1mjj s SER 208 Ca -0.05 -0.99 -0.16 0.00 0.48 0.00 0.00 55.95 55.23 1mjj s SER 208 Cb -0.07 0.55 0.03 0.00 0.10 0.00 0.00 66.02 66.63 1mjj s SER 208 CO -0.02 -1.08 0.35 0.72 0.98 0.00 0.00 173.24 174.19 1mjj s PHE 209 N -4.04 -0.19 -0.15 5.02 -0.71 -0.67 -5.00 117.98 112.23 1mjj s PHE 209 Ca 0.25 0.17 -0.04 0.00 -1.04 0.00 0.00 56.93 56.27 1mjj s PHE 209 Cb 0.01 0.15 -0.03 0.00 -1.21 0.00 0.00 43.02 41.93 1mjj s PHE 209 CO 0.09 -0.50 -0.03 -0.80 -1.34 0.00 0.00 175.22 172.64 1mjj s ASN 210 N -1.82 4.89 0.00 1.98 0.01 -1.26 -1.80 114.94 116.94 1mjj s ASN 210 Ca -0.08 -0.09 0.00 0.00 -0.71 0.00 0.00 52.86 51.98 1mjj s ASN 210 Cb -0.02 -1.77 0.00 0.00 0.41 0.00 0.00 41.25 39.87 1mjj s ASN 210 CO -0.01 0.18 0.15 -1.14 -1.51 0.00 0.00 177.10 174.78