#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mbx s THR 3 N 0.00 1.66 0.01 2.52 -4.23 -0.71 -4.98 115.64 109.90 3mbx s THR 3 Ca 0.00 -1.46 0.02 0.00 -1.18 0.00 0.00 61.69 59.07 3mbx s THR 3 Cb 0.00 -1.50 -0.01 0.00 1.34 0.00 0.00 72.50 72.33 3mbx s THR 3 CO 0.00 -0.02 -0.05 -0.76 -0.54 0.00 0.00 174.62 173.25 3mbx s LEU 4 N -1.75 2.06 -0.06 4.79 1.02 -1.26 -1.26 118.68 122.23 3mbx s LEU 4 Ca 0.06 -0.19 -0.02 0.00 0.02 0.00 0.00 54.13 54.00 3mbx s LEU 4 Cb -0.10 -0.23 0.04 0.00 0.02 0.00 0.00 46.19 45.92 3mbx s LEU 4 CO 0.04 0.00 0.11 -0.75 0.02 0.00 0.00 176.35 175.77 3mbx s LYS 5 N -0.43 -0.01 0.17 1.70 2.20 0.26 -4.18 119.74 119.45 3mbx s LYS 5 Ca -0.01 0.44 -0.18 0.00 -0.36 0.00 0.00 55.97 55.86 3mbx s LYS 5 Cb -0.04 -0.35 -0.08 0.00 -1.51 0.00 0.00 37.83 35.86 3mbx s LYS 5 CO -0.00 -0.29 0.65 -1.21 -0.36 0.00 0.00 175.35 174.14 3mbx s GLU 6 N 2.02 4.17 0.07 4.03 8.01 -1.26 -1.25 118.70 134.49 3mbx s GLU 6 Ca 0.01 0.74 0.03 0.00 0.01 0.00 0.00 54.97 55.77 3mbx s GLU 6 Cb -0.12 -2.97 -0.03 0.00 -4.31 0.00 0.00 34.13 26.70 3mbx s GLU 6 CO -0.04 0.47 -0.09 -1.54 0.01 0.00 0.00 175.26 174.06 3mbx s SER 7 N -1.56 1.15 0.21 -0.19 1.04 0.55 -4.70 113.70 110.19 3mbx s SER 7 Ca 0.39 -0.67 -0.07 0.00 0.48 0.00 0.00 55.95 56.08 3mbx s SER 7 Cb -0.17 0.02 0.03 0.00 0.10 0.00 0.00 66.02 66.00 3mbx s SER 7 CO 0.20 -0.23 0.39 0.61 0.98 0.00 0.00 173.24 175.20 3mbx n GLY 8 N 1.06 1.67 0.00 7.32 0.00 -1.26 -1.43 105.19 112.54 3mbx n GLY 8 Ca -0.20 -1.21 0.14 0.00 0.00 0.00 0.00 46.02 44.75 3mbx n GLY 8 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3mbx n PRO 9 N -0.29 0.24 0.00 1.61 -0.04 -1.26 -4.93 135.00 130.33 3mbx n PRO 9 Ca -0.04 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 3mbx n PRO 9 Cb 0.32 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.28 3mbx n PRO 9 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3mbx n GLY 10 N 1.31 1.15 3.14 0.55 0.00 -1.26 -4.78 105.19 105.30 3mbx n GLY 10 Ca 0.11 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 46.00 3mbx n GLY 10 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3mbx s ILE 11 N 0.00 0.04 0.17 -0.61 2.07 -1.26 -1.73 121.20 119.88 3mbx s ILE 11 Ca 0.00 -0.35 -0.14 0.00 -1.41 0.00 0.00 60.65 58.76 3mbx s ILE 11 Cb 0.00 -0.43 0.01 0.00 0.13 0.00 0.00 42.46 42.17 3mbx s ILE 11 CO 0.00 -0.19 0.40 -1.48 -1.91 0.00 0.00 174.94 171.76 3mbx s LEU 12 N -0.72 0.53 0.27 8.50 2.34 -0.89 -4.97 118.68 123.74 3mbx s LEU 12 Ca -0.08 -0.62 -0.07 0.00 0.06 0.00 0.00 54.13 53.43 3mbx s LEU 12 Cb -0.05 1.69 -0.06 0.00 -0.56 0.00 0.00 46.19 47.21 3mbx s LEU 12 CO 0.02 -0.95 0.56 -1.10 -1.06 0.00 0.00 176.35 173.82 3mbx s GLN 13 N -3.90 3.69 0.32 1.48 -0.21 -1.25 -1.15 119.66 118.64 3mbx s GLN 13 Ca 0.11 0.11 -0.27 0.00 0.02 0.00 0.00 55.36 55.33 3mbx s GLN 13 Cb 0.01 -2.64 -0.13 0.00 1.00 0.00 0.00 33.01 31.26 3mbx s GLN 13 CO -0.03 0.23 1.02 -2.30 -2.12 0.00 0.00 175.29 172.09 3mbx n PRO 14 N -0.70 1.40 0.00 2.91 -0.02 -1.26 -1.89 135.00 135.44 3mbx n PRO 14 Ca -0.01 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 3mbx n PRO 14 Cb 0.53 -1.91 0.00 0.00 -0.02 0.00 0.00 33.50 32.10 3mbx n PRO 14 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3mbx n SER 15 N 1.06 0.00 -4.78 2.55 3.41 0.87 -4.93 113.62 111.81 3mbx n SER 15 Ca 0.09 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.41 3mbx n SER 15 Cb 0.34 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.42 3mbx n SER 15 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3mbx s GLN 16 N -0.37 1.29 -0.24 4.33 -0.21 -0.79 -3.79 119.66 119.88 3mbx s GLN 16 Ca 0.00 0.22 -0.13 0.00 0.02 0.00 0.00 55.36 55.47 3mbx s GLN 16 Cb 0.00 -1.86 -0.05 0.00 1.00 0.00 0.00 33.01 32.10 3mbx s GLN 16 CO 0.00 -2.08 0.26 0.99 -2.12 0.00 0.00 175.29 172.34 3mbx s THR 17 N -3.37 5.28 -0.03 -0.19 2.01 -1.26 -1.49 115.64 116.60 3mbx s THR 17 Ca 0.64 0.38 -0.27 0.00 0.31 0.00 0.00 61.69 62.75 3mbx s THR 17 Cb -0.13 -3.60 -0.03 0.00 0.01 0.00 0.00 72.50 68.75 3mbx s THR 17 CO 0.52 0.28 0.85 -0.22 -0.69 0.00 0.00 174.62 175.37 3mbx s LEU 18 N 1.38 4.35 -0.21 4.42 2.96 -0.24 -4.92 118.68 126.41 3mbx s LEU 18 Ca 0.12 1.45 -0.00 0.00 -0.22 0.00 0.00 54.13 55.48 3mbx s LEU 18 Cb -0.15 -3.35 0.02 0.00 0.50 0.00 0.00 46.19 43.21 3mbx s LEU 18 CO 0.07 -0.20 -0.14 -0.44 -1.32 0.00 0.00 176.35 174.32 3mbx s SER 19 N 0.91 3.66 0.11 3.68 0.01 -1.26 -1.03 113.70 119.78 3mbx s SER 19 Ca 0.46 -0.72 0.09 0.00 1.31 0.00 0.00 55.95 57.08 3mbx s SER 19 Cb -0.20 -1.56 -0.04 0.00 0.21 0.00 0.00 66.02 64.43 3mbx s SER 19 CO 0.24 -0.04 -0.18 -0.76 0.41 0.00 0.00 173.24 172.90 3mbx s LEU 20 N 1.31 2.71 0.01 2.44 1.43 0.21 -4.37 118.68 122.41 3mbx s LEU 20 Ca 0.03 -0.54 0.04 0.00 -1.03 0.00 0.00 54.13 52.63 3mbx s LEU 20 Cb -0.15 -1.56 -0.01 0.00 0.03 0.00 0.00 46.19 44.50 3mbx s LEU 20 CO -0.09 0.18 -0.13 -0.89 0.23 0.00 0.00 176.35 175.65 3mbx s THR 21 N -1.14 1.02 -0.16 5.49 2.01 -0.52 -1.39 115.64 120.96 3mbx s THR 21 Ca 0.18 -0.68 0.01 0.00 0.31 0.00 0.00 61.69 61.51 3mbx s THR 21 Cb -0.11 -0.88 0.01 0.00 0.01 0.00 0.00 72.50 71.54 3mbx s THR 21 CO 0.10 0.18 -0.19 0.00 -0.69 0.00 0.00 174.62 174.02 3mbx s SER 23 N 1.00 4.12 0.07 0.00 0.01 -0.38 -1.18 113.70 117.34 3mbx s SER 23 Ca -0.02 -0.25 -0.01 0.00 1.31 0.00 0.00 55.95 56.97 3mbx s SER 23 Cb -0.15 -1.39 -0.04 0.00 0.21 0.00 0.00 66.02 64.66 3mbx s SER 23 CO -0.05 0.23 -0.01 0.72 0.41 0.00 0.00 173.24 174.54 3mbx s PHE 24 N -0.03 0.60 0.07 2.43 -0.71 -0.79 -0.57 117.98 118.98 3mbx s PHE 24 Ca -0.03 -1.11 0.01 0.00 -1.04 0.00 0.00 56.93 54.76 3mbx s PHE 24 Cb -0.14 -0.41 -0.04 0.00 -1.21 0.00 0.00 43.02 41.22 3mbx s PHE 24 CO 0.04 -0.41 -0.06 -1.12 -1.34 0.00 0.00 175.22 172.33 3mbx s SER 25 N -2.95 0.85 0.00 1.98 0.01 -0.39 -4.85 113.70 108.35 3mbx s SER 25 Ca 0.11 -0.88 0.00 0.00 1.31 0.00 0.00 55.95 56.50 3mbx s SER 25 Cb 0.08 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.42 3mbx s SER 25 CO -0.07 -0.44 0.00 0.61 0.41 0.00 0.00 173.24 173.75 3mbx n GLY 26 N 0.42 1.13 3.59 3.44 0.00 -1.26 -1.74 105.19 110.77 3mbx n GLY 26 Ca -0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 3mbx n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3mbx s PHE 27 N -2.76 -0.41 0.00 1.61 -0.71 -1.26 -4.85 117.98 109.60 3mbx s PHE 27 Ca 0.00 0.10 0.01 0.00 -1.04 0.00 0.00 56.93 56.00 3mbx s PHE 27 Cb 0.00 0.62 -0.01 0.00 -1.21 0.00 0.00 43.02 42.42 3mbx s PHE 27 CO 0.00 -1.00 -0.02 0.45 -1.34 0.00 0.00 175.22 173.31 3mbx s SER 28 N -2.81 0.27 0.00 1.98 0.15 -1.26 -4.88 113.70 107.14 3mbx s SER 28 Ca 0.05 -0.13 0.21 0.00 0.70 0.00 0.00 55.95 56.78 3mbx s SER 28 Cb -0.03 -0.00 1.25 0.00 -1.71 0.00 0.00 66.02 65.53 3mbx s SER 28 CO -0.05 -0.03 1.74 0.18 1.20 0.00 0.00 173.24 176.27 3mbx n LEU 29 N 2.74 0.00 0.07 3.45 4.32 0.08 -2.08 117.00 125.57 3mbx n LEU 29 Ca -0.15 0.00 0.13 0.00 -0.02 0.00 0.00 56.01 55.98 3mbx n LEU 29 Cb 0.58 0.00 0.48 0.00 -1.62 0.00 0.00 43.42 42.86 3mbx n LEU 29 CO 0.25 0.00 0.90 -1.20 -1.22 0.00 0.00 177.39 176.12 3mbx n SER 30 N -0.86 0.50 -4.82 -1.43 7.64 -1.26 -4.38 113.62 109.00 3mbx n SER 30 Ca 0.16 0.55 -0.36 0.00 1.01 0.00 0.00 58.87 60.23 3mbx n SER 30 Cb 0.07 -0.68 -0.07 0.00 -1.01 0.00 0.00 64.21 62.52 3mbx n SER 30 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3mbx s THR 31 N -3.08 5.10 0.19 0.44 2.01 -0.88 -5.05 115.64 114.36 3mbx s THR 31 Ca 0.11 0.02 -0.33 0.00 0.31 0.00 0.00 61.69 61.80 3mbx s THR 31 Cb 0.14 -3.22 -0.15 0.00 0.01 0.00 0.00 72.50 69.29 3mbx s THR 31 CO 0.55 0.58 1.29 0.00 -0.69 0.00 0.00 174.62 176.35 3mbx n TYR 32 N 1.93 1.68 -0.27 4.92 4.19 -1.26 -2.82 117.16 125.52 3mbx n TYR 32 Ca -0.19 0.56 0.00 0.00 3.31 0.00 0.00 57.90 61.59 3mbx n TYR 32 Cb 0.54 -2.36 0.00 0.00 0.49 0.00 0.00 39.34 38.01 3mbx n TYR 32 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3mbx n GLY 33 N 2.19 0.75 3.83 2.98 0.00 -1.26 -5.04 105.19 108.65 3mbx n GLY 33 Ca 0.14 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 3mbx n GLY 33 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3mbx s MET 34 N -0.65 3.74 0.14 1.61 -1.94 -1.13 -3.99 119.30 117.08 3mbx s MET 34 Ca 0.00 0.02 -0.14 0.00 -1.71 0.00 0.00 55.69 53.86 3mbx s MET 34 Cb 0.00 -3.25 0.02 0.00 2.01 0.00 0.00 34.83 33.61 3mbx s MET 34 CO 0.00 0.64 0.38 0.20 -0.01 0.00 0.00 175.02 176.23 3mbx s GLY 35 N -0.71 -0.04 0.01 -0.03 0.00 -1.26 -0.94 107.32 104.35 3mbx s GLY 35 Ca 0.17 -0.32 0.01 0.00 0.00 0.00 0.00 44.72 44.58 3mbx s GLY 35 CO 0.06 -0.46 -0.04 0.14 0.00 0.00 0.00 173.10 172.79 3mbx s VAL 36 N -3.86 0.32 0.31 1.40 1.01 -0.49 -1.47 120.40 117.62 3mbx s VAL 36 Ca 0.07 -0.45 0.04 0.00 0.00 0.00 0.00 61.98 61.64 3mbx s VAL 36 Cb 0.02 -0.32 -0.06 0.00 0.00 0.00 0.00 36.38 36.01 3mbx s VAL 36 CO -0.07 -0.09 0.05 -0.83 0.00 0.00 0.00 175.10 174.16 3mbx s GLY 37 N -0.58 2.00 -0.05 4.51 0.00 0.60 -1.07 107.32 112.72 3mbx s GLY 37 Ca -0.03 -2.02 0.07 0.00 0.00 0.00 0.00 44.72 42.74 3mbx s GLY 37 CO -0.00 -1.78 -0.25 -0.98 0.00 0.00 0.00 173.10 170.09 3mbx s TRP 38 N -3.34 2.37 -0.01 1.90 0.52 0.18 -1.16 118.94 119.40 3mbx s TRP 38 Ca 0.36 -0.64 0.01 0.00 0.02 0.00 0.00 56.10 55.84 3mbx s TRP 38 Cb 0.08 -1.55 0.01 0.00 -1.15 0.00 0.00 33.47 30.86 3mbx s TRP 38 CO 0.15 -0.17 -0.01 0.42 0.02 0.00 0.00 176.95 177.36 3mbx s ILE 39 N -0.27 0.14 0.30 2.03 1.09 -0.21 -0.57 121.20 123.72 3mbx s ILE 39 Ca -0.00 -0.01 0.09 0.00 -1.10 0.00 0.00 60.65 59.63 3mbx s ILE 39 Cb -0.13 -0.17 -0.06 0.00 -1.06 0.00 0.00 42.46 41.05 3mbx s ILE 39 CO 0.02 0.07 -0.12 0.00 -0.10 0.00 0.00 174.94 174.82 3mbx s ARG 40 N 0.34 1.68 -0.26 2.79 1.70 -0.27 -0.31 118.95 124.63 3mbx s ARG 40 Ca -0.03 -1.83 -0.02 0.00 -0.47 0.00 0.00 55.73 53.38 3mbx s ARG 40 Cb -0.05 -1.55 0.13 0.00 -0.57 0.00 0.00 34.95 32.90 3mbx s ARG 40 CO -0.01 0.17 0.32 -1.14 -1.08 0.00 0.00 175.30 173.56 3mbx s GLN 41 N -3.61 0.31 0.69 3.89 0.74 0.06 -0.86 119.66 120.87 3mbx s GLN 41 Ca 0.30 0.17 -0.16 0.00 0.05 0.00 0.00 55.36 55.73 3mbx s GLN 41 Cb 0.01 -0.70 0.02 0.00 1.10 0.00 0.00 33.01 33.44 3mbx s GLN 41 CO 0.14 -0.83 1.19 -2.14 -0.55 0.00 0.00 175.29 173.10 3mbx s PRO 42 N 2.43 2.45 0.09 1.67 0.02 -1.26 -1.44 135.00 138.96 3mbx s PRO 42 Ca 0.10 1.69 -0.34 0.00 0.02 0.00 0.00 61.00 62.46 3mbx s PRO 42 Cb -0.15 -1.88 -0.14 0.00 0.02 0.00 0.00 34.50 32.36 3mbx s PRO 42 CO -0.23 -1.58 1.60 0.45 -0.33 0.00 0.00 177.00 176.92 3mbx n SER 43 N -2.42 2.93 -0.03 2.53 2.88 -1.26 -0.82 113.62 117.42 3mbx n SER 43 Ca 0.13 1.07 -0.00 0.00 -1.33 0.00 0.00 58.87 58.73 3mbx n SER 43 Cb 0.50 -1.38 -0.00 0.00 -0.75 0.00 0.00 64.21 62.59 3mbx n SER 43 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3mbx n GLY 44 N 3.49 0.24 0.97 0.46 0.00 -1.26 -4.99 105.19 104.09 3mbx n GLY 44 Ca 0.18 -0.02 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 3mbx n GLY 44 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3mbx n LYS 45 N -0.65 1.50 -0.64 1.61 5.02 -0.00 -5.16 118.16 119.83 3mbx n LYS 45 Ca -0.00 -0.94 -0.00 0.00 -2.02 0.00 0.00 58.31 55.35 3mbx n LYS 45 Cb 0.31 0.19 0.00 0.00 -0.02 0.00 0.00 35.03 35.50 3mbx n LYS 45 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mbx n GLY 46 N 3.35 0.82 3.83 0.72 0.00 -1.26 -4.73 105.19 107.92 3mbx n GLY 46 Ca -0.03 -1.96 -0.36 0.00 0.00 0.00 0.00 46.02 43.66 3mbx n GLY 46 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mbx s LEU 47 N 0.00 4.31 -0.14 0.99 1.43 -1.26 -4.18 118.68 119.82 3mbx s LEU 47 Ca 0.00 0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 3mbx s LEU 47 Cb -0.00 -2.07 0.02 0.00 0.03 0.00 0.00 46.19 44.18 3mbx s LEU 47 CO 0.00 0.34 -0.13 -0.70 0.23 0.00 0.00 176.35 176.09 3mbx s GLU 48 N -0.61 2.14 0.20 1.70 2.12 -0.04 -4.97 118.70 119.25 3mbx s GLU 48 Ca 0.13 -0.50 -0.30 0.00 0.36 0.00 0.00 54.97 54.66 3mbx s GLU 48 Cb -0.12 -2.00 -0.09 0.00 0.26 0.00 0.00 34.13 32.19 3mbx s GLU 48 CO 0.02 -0.24 1.28 -0.46 -0.54 0.00 0.00 175.26 175.32 3mbx s TRP 49 N 1.52 3.30 -0.20 5.30 -0.00 -1.26 -1.11 118.94 126.50 3mbx s TRP 49 Ca 0.05 1.29 -0.09 0.00 -0.00 0.00 0.00 56.10 57.34 3mbx s TRP 49 Cb -0.13 -3.55 -0.09 0.00 -0.00 0.00 0.00 33.47 29.70 3mbx s TRP 49 CO -0.10 -1.67 -0.25 1.28 -0.00 0.00 0.00 176.95 176.20 3mbx n LEU 50 N 2.54 1.46 -3.56 5.86 4.77 0.27 -4.64 117.00 123.69 3mbx n LEU 50 Ca 0.05 0.22 -0.07 0.00 -0.03 0.00 0.00 56.01 56.19 3mbx n LEU 50 Cb 0.43 -0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 40.91 3mbx n LEU 50 CO 0.57 0.43 0.86 0.00 -1.33 0.00 0.00 177.39 177.92 3mbx s ALA 51 N -2.36 -1.96 0.19 -1.18 0.00 -1.19 -0.71 121.76 114.54 3mbx s ALA 51 Ca -0.27 1.42 -0.12 0.00 0.00 0.00 0.00 51.96 52.98 3mbx s ALA 51 Cb 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 23.07 3mbx s ALA 51 CO 0.35 -0.54 0.39 -3.38 0.00 0.00 0.00 175.76 172.58 3mbx s HIS 52 N -2.29 0.23 -0.01 0.00 -3.43 -0.55 -0.65 115.29 108.59 3mbx s HIS 52 Ca 0.05 -0.59 -0.03 0.00 -0.80 0.00 0.00 55.06 53.70 3mbx s HIS 52 Cb -0.01 0.12 -0.00 0.00 -1.43 0.00 0.00 32.58 31.26 3mbx s HIS 52 CO -0.05 -0.83 0.06 -1.50 -2.00 0.00 0.00 174.74 170.42 3mbx s ILE 53 N -3.95 0.05 0.40 -5.38 2.07 -0.24 -1.67 121.20 112.49 3mbx s ILE 53 Ca 0.16 -0.45 0.08 0.00 -1.41 0.00 0.00 60.65 59.03 3mbx s ILE 53 Cb 0.01 -0.23 -0.04 0.00 0.13 0.00 0.00 42.46 42.33 3mbx s ILE 53 CO 0.01 -0.24 0.26 0.26 -1.91 0.00 0.00 174.94 173.31 3mbx s TRP 54 N -0.76 2.68 0.54 3.50 0.52 -0.86 -1.40 118.94 123.17 3mbx s TRP 54 Ca -0.08 -0.51 0.30 0.00 0.02 0.00 0.00 56.10 55.82 3mbx s TRP 54 Cb -0.05 -2.00 1.46 0.00 -1.15 0.00 0.00 33.47 31.73 3mbx s TRP 54 CO 0.00 0.08 1.92 0.11 0.02 0.00 0.00 176.95 179.08 3mbx h TRP 55 N 1.27 0.00 -0.32 -1.98 0.09 -1.24 -1.10 115.95 112.67 3mbx h TRP 55 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.56 3mbx h TRP 55 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.50 3mbx h TRP 55 CO 0.58 0.00 0.00 -0.40 0.09 0.00 0.00 178.44 178.71 3mbx n ASP 56 N -4.22 1.87 0.00 0.11 5.68 -1.26 -4.88 116.55 113.85 3mbx n ASP 56 Ca 0.15 -1.94 0.00 0.00 -0.50 0.00 0.00 54.79 52.50 3mbx n ASP 56 Cb 0.83 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 40.60 3mbx n ASP 56 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 3mbx n ASP 57 N 0.50 -4.07 -4.73 -1.12 2.03 -0.42 -5.01 116.55 103.74 3mbx n ASP 57 Ca 0.13 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 55.02 3mbx n ASP 57 Cb 0.31 -1.66 -0.03 0.00 -0.72 0.00 0.00 41.12 39.01 3mbx n ASP 57 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3mbx s VAL 58 N -1.64 3.39 0.03 5.18 1.01 -1.26 -4.84 120.40 122.28 3mbx s VAL 58 Ca 0.00 1.12 0.07 0.00 0.00 0.00 0.00 61.98 63.17 3mbx s VAL 58 Cb 0.00 -3.71 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 3mbx s VAL 58 CO 0.00 0.15 -0.22 -0.54 0.00 0.00 0.00 175.10 174.50 3mbx s LYS 59 N 0.12 1.52 0.03 2.72 1.02 -1.26 -2.02 119.74 121.87 3mbx s LYS 59 Ca 0.57 -0.92 0.03 0.00 0.02 0.00 0.00 55.97 55.67 3mbx s LYS 59 Cb -0.35 -1.60 -0.02 0.00 -0.52 0.00 0.00 37.83 35.34 3mbx s LYS 59 CO 0.36 0.42 -0.09 1.03 -0.92 0.00 0.00 175.35 176.15 3mbx s ARG 60 N -1.02 0.59 0.04 1.68 1.81 -0.67 -4.99 118.95 116.39 3mbx s ARG 60 Ca 0.08 -0.62 0.02 0.00 -1.72 0.00 0.00 55.73 53.49 3mbx s ARG 60 Cb -0.09 -0.47 -0.02 0.00 -0.45 0.00 0.00 34.95 33.92 3mbx s ARG 60 CO 0.01 0.11 -0.07 0.71 -0.68 0.00 0.00 175.30 175.37 3mbx s TYR 61 N -0.96 0.64 -0.04 -0.53 1.51 -1.26 -1.49 117.35 115.22 3mbx s TYR 61 Ca -0.04 -0.44 -0.30 0.00 -1.01 0.00 0.00 57.07 55.28 3mbx s TYR 61 Cb -0.08 -0.39 -0.04 0.00 -0.11 0.00 0.00 41.96 41.34 3mbx s TYR 61 CO 0.00 -0.07 1.37 1.21 -1.11 0.00 0.00 175.55 176.95 3mbx s ASN 62 N -1.36 6.89 0.64 2.29 3.84 0.11 -4.85 114.94 122.49 3mbx s ASN 62 Ca -0.08 2.01 0.38 0.00 0.21 0.00 0.00 52.86 55.38 3mbx s ASN 62 Cb -0.09 -2.55 2.17 0.00 -0.55 0.00 0.00 41.25 40.23 3mbx s ASN 62 CO 0.00 -0.72 2.31 1.55 -2.79 0.00 0.00 177.10 177.46 3mbx h PRO 63 N 7.96 0.00 0.00 0.43 0.13 -1.95 0.41 132.00 138.99 3mbx h PRO 63 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 3mbx h PRO 63 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3mbx h PRO 63 CO 0.91 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.68 3mbx h ALA 64 N 1.97 1.00 0.00 -0.56 0.00 -1.98 -3.23 119.26 116.47 3mbx h ALA 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3mbx h ALA 64 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3mbx h ALA 64 CO -0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 3mbx n LEU 65 N -2.87 0.21 -0.32 0.00 4.32 -0.46 -4.97 117.00 112.91 3mbx n LEU 65 Ca 0.00 -0.29 0.15 0.00 -0.02 0.00 0.00 56.01 55.85 3mbx n LEU 65 Cb 0.24 0.00 0.30 0.00 -1.62 0.00 0.00 43.42 42.34 3mbx n LEU 65 CO 0.23 0.05 0.86 0.50 -1.22 0.00 0.00 177.39 177.82 3mbx h LYS 66 N 0.00 0.07 -0.44 3.23 3.64 -0.25 0.60 116.57 123.42 3mbx h LYS 66 Ca 0.00 -0.00 0.10 0.00 -1.27 0.00 0.00 60.65 59.48 3mbx h LYS 66 Cb 0.18 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.96 3mbx h LYS 66 CO 0.00 0.04 0.31 0.66 -2.27 0.00 0.00 179.45 178.19 3mbx h SER 67 N 0.07 0.14 0.21 4.20 4.64 -1.86 -2.54 113.55 118.40 3mbx h SER 67 Ca 0.59 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.91 3mbx h SER 67 Cb 1.24 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 3mbx h SER 67 CO -0.82 0.08 -0.65 0.54 -0.87 0.00 0.00 176.83 175.12 3mbx n ARG 68 N -4.45 0.27 -4.04 4.77 1.74 0.21 -4.96 116.66 110.21 3mbx n ARG 68 Ca 0.07 -0.19 -0.34 0.00 -0.77 0.00 0.00 57.85 56.61 3mbx n ARG 68 Cb 0.41 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.29 3mbx n ARG 68 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3mbx s LEU 69 N -2.87 4.09 -0.05 0.55 1.43 -0.96 -0.71 118.68 120.16 3mbx s LEU 69 Ca 0.13 0.27 -0.01 0.00 -1.03 0.00 0.00 54.13 53.49 3mbx s LEU 69 Cb 0.17 -2.24 0.03 0.00 0.03 0.00 0.00 46.19 44.18 3mbx s LEU 69 CO 0.72 0.32 0.01 -0.89 0.23 0.00 0.00 176.35 176.74 3mbx s THR 70 N -1.14 0.23 0.07 5.49 2.01 -0.31 -4.98 115.64 117.01 3mbx s THR 70 Ca 0.21 0.17 0.06 0.00 0.31 0.00 0.00 61.69 62.43 3mbx s THR 70 Cb -0.12 -0.39 -0.04 0.00 0.01 0.00 0.00 72.50 71.96 3mbx s THR 70 CO 0.11 0.21 -0.08 -0.51 -0.69 0.00 0.00 174.62 173.67 3mbx s ILE 71 N 1.73 3.54 0.19 1.82 2.07 -1.26 -0.27 121.20 129.01 3mbx s ILE 71 Ca 0.01 -1.08 -0.17 0.00 -1.41 0.00 0.00 60.65 58.00 3mbx s ILE 71 Cb -0.13 -2.62 0.03 0.00 0.13 0.00 0.00 42.46 39.87 3mbx s ILE 71 CO -0.04 0.20 0.50 -0.94 -1.91 0.00 0.00 174.94 172.75 3mbx s SER 72 N -1.98 -0.24 0.18 4.50 1.04 -0.74 -5.00 113.70 111.47 3mbx s SER 72 Ca 0.21 -0.50 0.10 0.00 0.48 0.00 0.00 55.95 56.24 3mbx s SER 72 Cb -0.11 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 3mbx s SER 72 CO 0.12 -1.03 -0.22 -1.59 0.98 0.00 0.00 173.24 171.50 3mbx s LYS 73 N -3.88 1.43 0.52 4.02 -2.85 -1.26 -0.53 119.74 117.19 3mbx s LYS 73 Ca 0.10 -1.47 -0.18 0.00 -1.00 0.00 0.00 55.97 53.41 3mbx s LYS 73 Cb -0.01 -1.68 -0.07 0.00 -2.06 0.00 0.00 37.83 34.01 3mbx s LYS 73 CO -0.03 0.36 1.03 0.34 0.10 0.00 0.00 175.35 177.15 3mbx s ASP 74 N -2.63 6.29 0.51 0.03 -1.08 -0.38 -4.95 116.67 114.46 3mbx s ASP 74 Ca 0.19 1.81 0.24 0.00 -0.52 0.00 0.00 52.55 54.27 3mbx s ASP 74 Cb -0.07 -2.54 1.36 0.00 -1.46 0.00 0.00 42.92 40.21 3mbx s ASP 74 CO 0.09 -0.82 2.06 0.71 0.52 0.00 0.00 175.17 177.73 3mbx h THR 75 N 1.17 0.70 0.00 1.71 1.35 -2.00 -2.43 112.91 113.40 3mbx h THR 75 Ca -0.48 -0.53 -0.02 0.00 -0.55 0.00 0.00 66.41 64.83 3mbx h THR 75 Cb 1.21 1.32 -0.00 0.00 -1.73 0.00 0.00 68.15 68.95 3mbx h THR 75 CO 0.59 0.13 -0.10 0.77 -0.25 0.00 0.00 175.52 176.66 3mbx h SER 76 N 0.00 0.00 0.00 5.36 4.64 -1.94 -3.47 113.55 118.14 3mbx h SER 76 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mbx h SER 76 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 3mbx h SER 76 CO 0.02 0.10 0.00 0.61 -0.87 0.00 0.00 176.83 176.69 3mbx n GLY 77 N -0.36 0.82 0.55 -0.77 0.00 -0.92 -4.81 105.19 99.71 3mbx n GLY 77 Ca -0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 3mbx n GLY 77 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3mbx n SER 78 N 0.00 2.21 -3.94 1.61 3.41 -1.26 -0.74 113.62 114.91 3mbx n SER 78 Ca 0.00 -1.60 -0.10 0.00 -0.26 0.00 0.00 58.87 56.91 3mbx n SER 78 Cb 0.00 -0.04 -0.10 0.00 -0.26 0.00 0.00 64.21 63.81 3mbx n SER 78 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3mbx s GLN 79 N -1.07 0.43 0.10 4.33 -0.21 -1.26 -1.89 119.66 120.10 3mbx s GLN 79 Ca 0.17 -0.59 0.06 0.00 0.02 0.00 0.00 55.36 55.01 3mbx s GLN 79 Cb 0.11 0.17 -0.03 0.00 1.00 0.00 0.00 33.01 34.25 3mbx s GLN 79 CO 0.16 -0.09 -0.14 0.08 -2.12 0.00 0.00 175.29 173.18 3mbx s VAL 80 N -1.75 1.23 0.08 1.09 1.01 -0.32 -1.25 120.40 120.49 3mbx s VAL 80 Ca -0.13 -1.53 0.07 0.00 0.00 0.00 0.00 61.98 60.39 3mbx s VAL 80 Cb -0.07 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.95 3mbx s VAL 80 CO -0.01 -0.33 -0.18 -0.36 0.00 0.00 0.00 175.10 174.22 3mbx s PHE 81 N -1.75 1.55 -0.04 5.22 0.40 0.31 -0.50 117.98 123.18 3mbx s PHE 81 Ca 0.04 -0.42 0.02 0.00 -0.60 0.00 0.00 56.93 55.97 3mbx s PHE 81 Cb -0.07 -0.87 0.01 0.00 0.51 0.00 0.00 43.02 42.60 3mbx s PHE 81 CO 0.03 0.13 -0.08 -1.17 0.70 0.00 0.00 175.22 174.82 3mbx s LEU 82 N -1.69 1.60 -0.07 -0.37 2.96 -0.48 -1.79 118.68 118.84 3mbx s LEU 82 Ca 0.03 -0.19 0.03 0.00 -0.22 0.00 0.00 54.13 53.79 3mbx s LEU 82 Cb -0.10 -0.57 -0.02 0.00 0.50 0.00 0.00 46.19 46.00 3mbx s LEU 82 CO 0.03 0.02 -0.16 -0.54 -1.32 0.00 0.00 176.35 174.37 3mbx s LYS 83 N 0.55 2.70 -0.22 1.98 1.02 0.63 -0.62 119.74 125.78 3mbx s LYS 83 Ca -0.09 -0.74 0.02 0.00 0.02 0.00 0.00 55.97 55.18 3mbx s LYS 83 Cb -0.12 -2.39 0.05 0.00 -0.52 0.00 0.00 37.83 34.84 3mbx s LYS 83 CO 0.01 0.48 -0.11 0.42 -0.92 0.00 0.00 175.35 175.23 3mbx s ILE 84 N -0.38 1.86 0.53 2.17 1.01 -0.20 -1.16 121.20 125.03 3mbx s ILE 84 Ca 0.04 -1.23 -0.17 0.00 0.00 0.00 0.00 60.65 59.29 3mbx s ILE 84 Cb -0.12 -1.93 -0.07 0.00 0.01 0.00 0.00 42.46 40.35 3mbx s ILE 84 CO 0.02 0.12 1.00 0.00 0.00 0.00 0.00 174.94 176.09 3mbx s ALA 85 N 1.29 2.98 -1.23 9.38 0.00 0.11 -1.08 121.76 133.20 3mbx s ALA 85 Ca -0.03 0.25 -0.14 0.00 0.00 0.00 0.00 51.96 52.04 3mbx s ALA 85 Cb -0.17 -3.15 -0.00 0.00 0.00 0.00 0.00 23.12 19.79 3mbx s ALA 85 CO -0.08 -0.37 0.67 0.43 0.00 0.00 0.00 175.76 176.41 3mbx n SER 86 N -1.65 -3.53 -4.75 0.00 7.64 -1.10 -4.89 113.62 105.34 3mbx n SER 86 Ca 0.07 -1.02 -0.37 0.00 1.01 0.00 0.00 58.87 58.57 3mbx n SER 86 Cb 0.54 -3.24 0.03 0.00 -1.01 0.00 0.00 64.21 60.53 3mbx n SER 86 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3mbx s VAL 87 N -3.63 2.52 0.33 0.44 -7.23 -0.55 -4.56 120.40 107.72 3mbx s VAL 87 Ca 0.31 0.35 0.03 0.00 -1.81 0.00 0.00 61.98 60.86 3mbx s VAL 87 Cb -0.11 -3.15 -0.01 0.00 0.56 0.00 0.00 36.38 33.66 3mbx s VAL 87 CO 0.87 -0.05 0.12 -0.90 -0.31 0.00 0.00 175.10 174.83 3mbx n ASP 88 N -1.37 1.10 0.28 4.85 5.68 -1.26 -0.09 116.55 125.73 3mbx n ASP 88 Ca 0.12 -2.76 0.15 0.00 -0.50 0.00 0.00 54.79 51.81 3mbx n ASP 88 Cb 0.48 0.86 0.89 0.00 -1.14 0.00 0.00 41.12 42.21 3mbx n ASP 88 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 3mbx h THR 89 N 1.56 0.53 0.00 2.12 1.35 -1.97 0.11 112.91 116.61 3mbx h THR 89 Ca -0.25 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.61 3mbx h THR 89 Cb 0.98 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 3mbx h THR 89 CO 0.40 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.13 3mbx n SER 90 N -3.86 0.00 -0.41 5.36 3.41 -1.26 -2.15 113.62 114.71 3mbx n SER 90 Ca -0.02 0.49 0.13 0.00 -0.26 0.00 0.00 58.87 59.21 3mbx n SER 90 Cb 0.12 -0.50 0.33 0.00 -0.26 0.00 0.00 64.21 63.91 3mbx n SER 90 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3mbx n ASP 91 N -1.50 1.49 -4.67 4.04 8.00 0.03 -4.85 116.55 119.08 3mbx n ASP 91 Ca 0.03 -1.25 -0.42 0.00 0.71 0.00 0.00 54.79 53.86 3mbx n ASP 91 Cb 0.14 0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.36 3mbx n ASP 91 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3mbx s THR 92 N -2.32 3.51 -0.05 -3.53 2.01 -0.92 -4.84 115.64 109.50 3mbx s THR 92 Ca 0.27 0.79 -0.31 0.00 0.31 0.00 0.00 61.69 62.75 3mbx s THR 92 Cb 0.20 -3.51 0.12 0.00 0.01 0.00 0.00 72.50 69.32 3mbx s THR 92 CO 0.46 -0.04 1.25 0.00 -0.69 0.00 0.00 174.62 175.60 3mbx s ALA 93 N 3.23 -2.16 -0.04 7.40 0.00 -0.73 -4.56 121.76 124.90 3mbx s ALA 93 Ca 0.70 0.91 -0.27 0.00 0.00 0.00 0.00 51.96 53.30 3mbx s ALA 93 Cb -0.34 0.24 -0.03 0.00 0.00 0.00 0.00 23.12 23.00 3mbx s ALA 93 CO 0.29 -0.93 0.88 0.99 0.00 0.00 0.00 175.76 176.99 3mbx s THR 94 N -2.47 4.93 -0.22 0.00 2.01 -0.52 -0.90 115.64 118.46 3mbx s THR 94 Ca 0.13 1.82 -0.06 0.00 0.31 0.00 0.00 61.69 63.89 3mbx s THR 94 Cb 0.03 -4.21 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 3mbx s THR 94 CO -0.04 0.17 0.04 -0.31 -0.69 0.00 0.00 174.62 173.79 3mbx s TYR 95 N 1.08 3.08 -0.03 4.92 1.51 0.17 -0.77 117.35 127.31 3mbx s TYR 95 Ca 0.46 -0.39 0.02 0.00 -1.01 0.00 0.00 57.07 56.15 3mbx s TYR 95 Cb -0.19 -2.16 -0.03 0.00 -0.11 0.00 0.00 41.96 39.47 3mbx s TYR 95 CO 0.23 -0.25 -0.06 0.71 -1.11 0.00 0.00 175.55 175.06 3mbx s TYR 96 N 1.22 2.92 0.10 2.71 1.51 0.58 -0.92 117.35 125.47 3mbx s TYR 96 Ca 0.04 -0.00 0.04 0.00 -1.01 0.00 0.00 57.07 56.14 3mbx s TYR 96 Cb -0.14 -1.66 -0.04 0.00 -0.11 0.00 0.00 41.96 40.01 3mbx s TYR 96 CO 0.02 0.36 0.05 0.00 -1.11 0.00 0.00 175.55 174.87 3mbx s ALA 98 N -1.41 -1.30 0.18 0.00 0.00 -0.30 -0.82 121.76 118.11 3mbx s ALA 98 Ca 0.28 1.27 -0.30 0.00 0.00 0.00 0.00 51.96 53.21 3mbx s ALA 98 Cb -0.12 -0.57 -0.07 0.00 0.00 0.00 0.00 23.12 22.36 3mbx s ALA 98 CO 0.20 -0.27 0.97 0.50 0.00 0.00 0.00 175.76 177.16 3mbx s ARG 99 N -0.22 4.76 0.38 0.00 3.52 0.05 -0.29 118.95 127.14 3mbx s ARG 99 Ca -0.04 1.51 -0.26 0.00 -0.13 0.00 0.00 55.73 56.80 3mbx s ARG 99 Cb -0.03 -3.32 -0.09 0.00 -1.56 0.00 0.00 34.95 29.95 3mbx s ARG 99 CO 0.03 0.34 1.21 -1.64 -0.81 0.00 0.00 175.30 174.42 3mbx s MET 100 N -0.60 4.15 -0.05 5.12 -1.94 -0.54 -0.99 119.30 124.45 3mbx s MET 100 Ca 0.44 1.95 0.08 0.00 -1.71 0.00 0.00 55.69 56.46 3mbx s MET 100 Cb -0.25 -2.81 0.32 0.00 2.01 0.00 0.00 34.83 34.10 3mbx s MET 100 CO 0.32 -0.27 1.15 0.41 -0.01 0.00 0.00 175.02 176.62 3mbx n GLY 101 N 0.73 1.28 3.33 -0.03 0.00 0.53 -4.61 105.19 106.42 3mbx n GLY 101 Ca 0.03 -0.38 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 3mbx n GLY 101 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3mbx s SER 102 N -0.69 -0.00 0.27 1.61 0.15 -1.26 -4.95 113.70 108.83 3mbx s SER 102 Ca 0.23 -0.73 0.25 0.00 0.70 0.00 0.00 55.95 56.40 3mbx s SER 102 Cb 0.15 0.44 0.63 0.00 -1.71 0.00 0.00 66.02 65.52 3mbx s SER 102 CO 0.11 -0.88 1.69 -2.24 1.20 0.00 0.00 173.24 173.12 3mbx h ASP 103 N 2.53 0.00 0.00 5.45 2.03 -1.90 -3.40 116.42 121.13 3mbx h ASP 103 Ca -0.32 -0.01 0.00 0.00 -0.73 0.00 0.00 57.03 55.97 3mbx h ASP 103 Cb 1.23 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.73 3mbx h ASP 103 CO 0.48 0.01 -0.05 -1.22 -1.03 0.00 0.00 179.24 177.42 3mbx n TYR 104 N -2.52 0.00 -4.22 4.15 4.02 -1.26 -4.83 117.16 112.50 3mbx n TYR 104 Ca 0.05 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.64 3mbx n TYR 104 Cb 0.46 0.00 -0.10 0.00 -0.02 0.00 0.00 39.34 39.69 3mbx n TYR 104 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3mbx s ASP 105 N -0.32 4.44 -0.93 7.72 1.01 -1.26 -5.05 116.67 122.27 3mbx s ASP 105 Ca 0.00 -0.37 -0.01 0.00 0.71 0.00 0.00 52.55 52.88 3mbx s ASP 105 Cb 0.00 -0.86 0.29 0.00 1.01 0.00 0.00 42.92 43.36 3mbx s ASP 105 CO 0.00 0.18 1.26 0.52 0.21 0.00 0.00 175.17 177.34 3mbx n VAL 106 N 0.70 4.41 -4.23 -1.27 0.31 -1.26 -4.07 118.33 112.93 3mbx n VAL 106 Ca -0.13 -5.72 -0.24 0.00 -0.01 0.00 0.00 64.34 58.24 3mbx n VAL 106 Cb 0.52 -2.06 -0.08 0.00 -0.91 0.00 0.00 33.84 31.32 3mbx n VAL 106 CO 0.00 0.00 0.00 -1.66 -1.32 0.00 0.00 176.83 173.85 3mbx s TRP 107 N -2.76 2.61 -0.23 3.52 -2.14 -1.26 -5.03 118.94 113.66 3mbx s TRP 107 Ca 0.34 -0.44 0.02 0.00 2.66 0.00 0.00 56.10 58.68 3mbx s TRP 107 Cb 0.09 -1.62 0.04 0.00 -3.10 0.00 0.00 33.47 28.89 3mbx s TRP 107 CO 0.06 0.39 -0.14 -0.06 -2.66 0.00 0.00 176.95 174.54 3mbx s PHE 108 N -2.50 3.03 -0.09 1.66 0.40 -1.26 -0.35 117.98 118.87 3mbx s PHE 108 Ca 0.37 -2.03 0.15 0.00 -0.60 0.00 0.00 56.93 54.81 3mbx s PHE 108 Cb -0.00 -1.90 -0.14 0.00 0.51 0.00 0.00 43.02 41.49 3mbx s PHE 108 CO 0.21 -0.84 0.90 0.38 0.70 0.00 0.00 175.22 176.57 3mbx h ASP 109 N 7.85 0.00 -3.69 1.36 2.03 -1.32 -3.46 116.42 119.20 3mbx h ASP 109 Ca -0.29 0.00 -0.32 0.00 -0.73 0.00 0.00 57.03 55.68 3mbx h ASP 109 Cb 1.08 0.00 -0.31 0.00 -0.83 0.00 0.00 39.33 39.27 3mbx h ASP 109 CO 0.52 0.71 -0.75 -0.31 -1.03 0.00 0.00 179.24 178.39 3mbx s TYR 110 N -2.83 0.36 0.05 4.15 1.51 -1.25 -5.01 117.35 114.33 3mbx s TYR 110 Ca -0.02 -0.05 0.07 0.00 -1.01 0.00 0.00 57.07 56.06 3mbx s TYR 110 Cb 0.08 -0.33 -0.03 0.00 -0.11 0.00 0.00 41.96 41.58 3mbx s TYR 110 CO 0.81 -0.07 -0.20 -1.58 -1.11 0.00 0.00 175.55 173.40 3mbx s TRP 111 N 0.40 1.78 1.07 2.71 0.52 -1.26 -0.77 118.94 123.39 3mbx s TRP 111 Ca -0.04 -0.38 -0.17 0.00 0.02 0.00 0.00 56.10 55.53 3mbx s TRP 111 Cb -0.07 -1.05 0.23 0.00 -1.15 0.00 0.00 33.47 31.43 3mbx s TRP 111 CO -0.01 0.10 1.18 0.20 0.02 0.00 0.00 176.95 178.45 3mbx s GLY 112 N -1.26 1.65 0.36 0.98 0.00 0.00 -4.71 107.32 104.34 3mbx s GLY 112 Ca 0.07 -0.94 0.27 0.00 0.00 0.00 0.00 44.72 44.12 3mbx s GLY 112 CO 0.02 -0.16 1.80 0.06 0.00 0.00 0.00 173.10 174.82 3mbx h GLN 113 N -2.07 0.00 0.00 2.90 3.07 -1.90 -3.45 115.11 113.65 3mbx h GLN 113 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.28 3mbx h GLN 113 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.84 3mbx h GLN 113 CO 0.41 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.74 3mbx n GLY 114 N 0.33 0.74 3.04 0.06 0.00 -1.26 -5.03 105.19 103.07 3mbx n GLY 114 Ca 0.02 -1.66 -0.24 0.00 0.00 0.00 0.00 46.02 44.14 3mbx n GLY 114 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3mbx s THR 115 N -2.72 1.13 0.05 2.61 -1.32 -0.10 -4.79 115.64 110.50 3mbx s THR 115 Ca 0.00 -0.50 -0.28 0.00 -1.21 0.00 0.00 61.69 59.71 3mbx s THR 115 Cb 0.00 -1.02 -0.05 0.00 -1.51 0.00 0.00 72.50 69.92 3mbx s THR 115 CO 0.00 0.35 0.88 -0.22 -2.21 0.00 0.00 174.62 173.41 3mbx s LEU 116 N 0.51 4.44 -0.14 9.08 2.96 -1.26 -0.66 118.68 133.62 3mbx s LEU 116 Ca -0.12 1.60 0.02 0.00 -0.22 0.00 0.00 54.13 55.41 3mbx s LEU 116 Cb -0.14 -3.42 0.01 0.00 0.50 0.00 0.00 46.19 43.14 3mbx s LEU 116 CO 0.03 -0.08 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.10 3mbx s VAL 117 N 0.25 1.83 -0.21 1.68 1.01 -0.08 -4.29 120.40 120.59 3mbx s VAL 117 Ca 0.44 -0.83 -0.06 0.00 0.00 0.00 0.00 61.98 61.53 3mbx s VAL 117 Cb -0.21 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.49 3mbx s VAL 117 CO 0.26 0.51 0.02 -0.89 0.00 0.00 0.00 175.10 174.99 3mbx s THR 118 N 0.99 4.05 -0.38 3.92 2.01 -0.71 -1.77 115.64 123.75 3mbx s THR 118 Ca -0.04 -0.27 -0.18 0.00 0.31 0.00 0.00 61.69 61.51 3mbx s THR 118 Cb -0.15 -2.85 0.01 0.00 0.01 0.00 0.00 72.50 69.52 3mbx s THR 118 CO -0.04 0.41 0.48 -0.69 -0.69 0.00 0.00 174.62 174.09 3mbx s VAL 119 N 1.12 5.04 -0.20 3.82 1.01 -1.26 -2.08 120.40 127.84 3mbx s VAL 119 Ca 0.03 0.05 -0.27 0.00 0.00 0.00 0.00 61.98 61.79 3mbx s VAL 119 Cb -0.14 -3.99 0.09 0.00 0.00 0.00 0.00 36.38 32.33 3mbx s VAL 119 CO 0.02 -0.30 0.80 -0.55 0.00 0.00 0.00 175.10 175.06 3mbx s SER 120 N 1.80 -0.63 0.00 3.32 0.15 -0.30 -4.76 113.70 113.29 3mbx s SER 120 Ca 0.16 1.04 0.25 0.00 0.70 0.00 0.00 55.95 58.10 3mbx s SER 120 Cb -0.16 0.99 0.50 0.00 -1.71 0.00 0.00 66.02 65.64 3mbx s SER 120 CO 0.14 -0.34 1.40 0.00 1.20 0.00 0.00 173.24 175.65 3mbx n ALA 121 N 1.93 3.52 -1.73 5.45 0.00 -1.26 -3.87 120.51 124.55 3mbx n ALA 121 Ca -0.15 -0.40 -0.36 0.00 0.00 0.00 0.00 53.44 52.54 3mbx n ALA 121 Cb 0.56 -1.08 0.04 0.00 0.00 0.00 0.00 19.45 18.97 3mbx n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mbx s ALA 122 N -2.84 2.48 0.41 0.00 0.00 -1.26 -4.98 121.76 115.57 3mbx s ALA 122 Ca 0.15 1.06 -0.23 0.00 0.00 0.00 0.00 51.96 52.93 3mbx s ALA 122 Cb 0.18 -3.48 -0.09 0.00 0.00 0.00 0.00 23.12 19.73 3mbx s ALA 122 CO 0.66 -1.30 1.04 -1.12 0.00 0.00 0.00 175.76 175.04 3mbx s SER 123 N -1.56 6.72 0.14 0.00 0.01 -1.26 -5.01 113.70 112.73 3mbx s SER 123 Ca 0.79 2.01 -0.31 0.00 1.31 0.00 0.00 55.95 59.75 3mbx s SER 123 Cb -0.32 -2.58 -0.08 0.00 0.21 0.00 0.00 66.02 63.25 3mbx s SER 123 CO 0.35 -0.52 1.32 -0.89 0.41 0.00 0.00 173.24 173.91 3mbx s THR 124 N -1.71 3.40 -0.03 1.44 2.01 -1.26 -4.77 115.64 114.72 3mbx s THR 124 Ca 0.59 1.06 0.01 0.00 0.31 0.00 0.00 61.69 63.66 3mbx s THR 124 Cb -0.21 -3.68 0.02 0.00 0.01 0.00 0.00 72.50 68.65 3mbx s THR 124 CO 0.26 0.11 -0.01 -0.75 -0.69 0.00 0.00 174.62 173.55 3mbx s LYS 125 N 0.60 0.33 0.48 4.92 2.20 -0.07 -4.96 119.74 123.24 3mbx s LYS 125 Ca 0.60 0.05 -0.12 0.00 -0.36 0.00 0.00 55.97 56.14 3mbx s LYS 125 Cb -0.35 -0.48 -0.06 0.00 -1.51 0.00 0.00 37.83 35.43 3mbx s LYS 125 CO 0.33 -0.11 0.88 0.20 -0.36 0.00 0.00 175.35 176.29 3mbx s GLY 126 N 0.91 1.90 0.55 5.54 0.00 -1.26 -0.54 107.32 114.41 3mbx s GLY 126 Ca -0.09 -0.09 -0.12 0.00 0.00 0.00 0.00 44.72 44.42 3mbx s GLY 126 CO -0.01 0.13 0.96 2.56 0.00 0.00 0.00 173.10 176.74 3mbx s PRO 127 N -4.19 3.72 0.20 2.90 0.04 -1.26 -4.61 135.00 131.80 3mbx s PRO 127 Ca 0.54 0.71 -0.20 0.00 0.04 0.00 0.00 61.00 62.08 3mbx s PRO 127 Cb -0.10 -2.17 -0.08 0.00 0.04 0.00 0.00 34.50 32.19 3mbx s PRO 127 CO 0.36 -0.37 0.71 -1.12 0.04 0.00 0.00 177.00 176.61 3mbx s SER 128 N -3.72 7.10 -0.22 6.66 0.01 -0.56 -4.90 113.70 118.06 3mbx s SER 128 Ca 0.55 1.42 -0.00 0.00 1.31 0.00 0.00 55.95 59.22 3mbx s SER 128 Cb -0.10 -2.42 0.02 0.00 0.21 0.00 0.00 66.02 63.73 3mbx s SER 128 CO 0.43 0.08 -0.11 -0.69 0.41 0.00 0.00 173.24 173.36 3mbx s VAL 129 N -1.43 2.56 -0.05 3.43 1.01 -1.26 -0.88 120.40 123.79 3mbx s VAL 129 Ca 0.40 -1.01 0.04 0.00 0.00 0.00 0.00 61.98 61.42 3mbx s VAL 129 Cb -0.18 -2.24 -0.02 0.00 0.00 0.00 0.00 36.38 33.94 3mbx s VAL 129 CO 0.21 0.31 -0.16 -0.36 0.00 0.00 0.00 175.10 175.11 3mbx s PHE 130 N 1.30 2.64 0.36 5.22 2.99 0.05 -4.95 117.98 125.59 3mbx s PHE 130 Ca 0.01 -0.24 -0.26 0.00 0.00 0.00 0.00 56.93 56.45 3mbx s PHE 130 Cb -0.16 -1.62 -0.09 0.00 0.00 0.00 0.00 43.02 41.16 3mbx s PHE 130 CO -0.07 0.12 1.10 -1.25 -0.00 0.00 0.00 175.22 175.12 3mbx s PRO 131 N -0.65 4.28 -0.62 0.24 0.04 -1.26 -0.19 135.00 136.82 3mbx s PRO 131 Ca 0.10 1.70 -0.07 0.00 0.04 0.00 0.00 61.00 62.77 3mbx s PRO 131 Cb -0.11 -2.78 0.16 0.00 0.04 0.00 0.00 34.50 31.82 3mbx s PRO 131 CO 0.01 -0.09 0.48 -0.51 0.04 0.00 0.00 177.00 176.93 3mbx s LEU 132 N -2.24 5.69 0.17 -3.56 1.43 0.12 -4.81 118.68 115.49 3mbx s LEU 132 Ca 0.54 -2.56 -0.30 0.00 -1.03 0.00 0.00 54.13 50.78 3mbx s LEU 132 Cb -0.28 -1.97 -0.07 0.00 0.03 0.00 0.00 46.19 43.90 3mbx s LEU 132 CO 0.35 -0.50 1.01 0.00 0.23 0.00 0.00 176.35 177.44 3mbx s ALA 133 N 0.38 3.32 0.48 4.21 0.00 -1.26 -1.34 121.76 127.55 3mbx s ALA 133 Ca 0.14 0.69 -0.21 0.00 0.00 0.00 0.00 51.96 52.58 3mbx s ALA 133 Cb -0.19 -3.29 -0.08 0.00 0.00 0.00 0.00 23.12 19.55 3mbx s ALA 133 CO -0.04 -0.04 1.06 -1.25 0.00 0.00 0.00 175.76 175.49 3mbx s PRO 134 N -0.47 3.79 0.35 0.00 0.04 -1.26 -4.72 135.00 132.73 3mbx s PRO 134 Ca 0.46 1.46 -0.12 0.00 0.04 0.00 0.00 61.00 62.84 3mbx s PRO 134 Cb -0.26 -2.18 0.05 0.00 0.04 0.00 0.00 34.50 32.14 3mbx s PRO 134 CO 0.33 -0.46 0.68 -1.13 0.04 0.00 0.00 177.00 176.46 3mbx n SER 135 N -0.83 -1.97 -0.06 6.66 3.41 -1.26 -1.54 113.62 118.03 3mbx n SER 135 Ca 0.09 -2.42 0.23 0.00 -0.26 0.00 0.00 58.87 56.51 3mbx n SER 135 Cb 0.51 3.29 0.71 0.00 -0.26 0.00 0.00 64.21 68.46 3mbx n SER 135 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3mbx h SER 136 N 1.74 0.00 0.84 4.04 4.64 -1.93 -0.11 113.55 122.78 3mbx h SER 136 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3mbx h SER 136 Cb 1.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3mbx h SER 136 CO 0.37 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.62 3mbx n LYS 137 N -4.30 0.03 -0.15 4.77 4.76 -1.26 -2.30 118.16 119.72 3mbx n LYS 137 Ca 0.13 0.13 0.07 0.00 -2.87 0.00 0.00 58.31 55.77 3mbx n LYS 137 Cb 0.73 -1.55 0.14 0.00 -1.84 0.00 0.00 35.03 32.52 3mbx n LYS 137 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 3mbx n SER 138 N -1.61 2.68 -4.30 4.39 3.41 -0.08 -5.01 113.62 113.11 3mbx n SER 138 Ca 0.05 -2.77 -0.33 0.00 -0.26 0.00 0.00 58.87 55.56 3mbx n SER 138 Cb 0.28 -0.36 -0.15 0.00 -0.26 0.00 0.00 64.21 63.72 3mbx n SER 138 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3mbx s THR 139 N -2.35 2.65 -0.04 6.66 2.01 -0.97 -0.24 115.64 123.36 3mbx s THR 139 Ca 0.27 -0.80 -0.00 0.00 0.31 0.00 0.00 61.69 61.47 3mbx s THR 139 Cb 0.23 -2.08 0.03 0.00 0.01 0.00 0.00 72.50 70.68 3mbx s THR 139 CO 0.05 0.53 0.01 -0.44 -0.69 0.00 0.00 174.62 174.08 3mbx s SER 140 N 0.43 0.64 -1.41 3.53 0.01 -0.53 -4.94 113.70 111.42 3mbx s SER 140 Ca -0.13 -0.02 -0.02 0.00 1.31 0.00 0.00 55.95 57.10 3mbx s SER 140 Cb -0.16 -0.23 0.01 0.00 0.21 0.00 0.00 66.02 65.85 3mbx s SER 140 CO 0.06 -0.13 0.52 0.61 0.41 0.00 0.00 173.24 174.70 3mbx n GLY 141 N 4.41 -0.26 2.45 3.44 0.00 -1.26 -2.08 105.19 111.89 3mbx n GLY 141 Ca -0.21 0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.95 3mbx n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mbx n GLY 142 N -1.86 2.19 3.66 -0.02 0.00 -1.26 -5.01 105.19 102.89 3mbx n GLY 142 Ca -0.27 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 3mbx n GLY 142 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mbx s THR 143 N -2.95 4.64 -0.08 2.61 2.01 -0.88 -0.25 115.64 120.74 3mbx s THR 143 Ca 0.00 -0.10 0.03 0.00 0.31 0.00 0.00 61.69 61.93 3mbx s THR 143 Cb 0.00 -3.05 -0.02 0.00 0.01 0.00 0.00 72.50 69.44 3mbx s THR 143 CO 0.00 0.52 -0.16 0.00 -0.69 0.00 0.00 174.62 174.29 3mbx s ALA 144 N -0.09 2.56 0.02 7.40 0.00 0.10 -1.46 121.76 130.31 3mbx s ALA 144 Ca 0.06 -0.95 -0.11 0.00 0.00 0.00 0.00 51.96 50.95 3mbx s ALA 144 Cb -0.12 -1.02 -0.05 0.00 0.00 0.00 0.00 23.12 21.93 3mbx s ALA 144 CO 0.01 0.41 0.37 0.00 0.00 0.00 0.00 175.76 176.55 3mbx s ALA 145 N -0.21 3.74 0.13 0.00 0.00 0.67 -0.48 121.76 125.60 3mbx s ALA 145 Ca 0.00 -0.36 -0.07 0.00 0.00 0.00 0.00 51.96 51.53 3mbx s ALA 145 Cb -0.13 -2.27 -0.01 0.00 0.00 0.00 0.00 23.12 20.71 3mbx s ALA 145 CO 0.03 0.55 0.21 -0.48 0.00 0.00 0.00 175.76 176.06 3mbx s LEU 146 N -1.49 1.30 0.00 0.00 0.05 -0.36 -4.18 118.68 114.01 3mbx s LEU 146 Ca 0.27 -0.85 -0.06 0.00 0.05 0.00 0.00 54.13 53.54 3mbx s LEU 146 Cb -0.15 0.97 0.02 0.00 -2.05 0.00 0.00 46.19 44.99 3mbx s LEU 146 CO 0.15 -0.80 0.31 0.61 -0.55 0.00 0.00 176.35 176.06 3mbx n GLY 147 N -0.13 1.09 3.05 -3.48 0.00 -0.45 -0.30 105.19 104.98 3mbx n GLY 147 Ca -0.10 -0.99 -0.20 0.00 0.00 0.00 0.00 46.02 44.73 3mbx n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mbx s LEU 149 N -0.22 4.01 -0.45 0.00 2.96 0.73 -1.04 118.68 124.67 3mbx s LEU 149 Ca 0.04 -0.00 -0.08 0.00 -0.22 0.00 0.00 54.13 53.86 3mbx s LEU 149 Cb -0.05 -2.11 0.11 0.00 0.50 0.00 0.00 46.19 44.64 3mbx s LEU 149 CO -0.00 -0.04 0.30 -0.69 -1.32 0.00 0.00 176.35 174.59 3mbx s VAL 150 N 1.69 4.06 -0.02 1.68 1.01 0.13 -0.77 120.40 128.19 3mbx s VAL 150 Ca 0.07 -1.71 0.06 0.00 0.00 0.00 0.00 61.98 60.39 3mbx s VAL 150 Cb -0.16 -3.64 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 3mbx s VAL 150 CO 0.10 -0.68 -0.19 -0.75 0.00 0.00 0.00 175.10 173.58 3mbx s LYS 151 N 1.35 2.28 -0.74 2.72 2.20 -0.05 -1.20 119.74 126.29 3mbx s LYS 151 Ca 0.05 -0.84 -0.01 0.00 -0.36 0.00 0.00 55.97 54.81 3mbx s LYS 151 Cb -0.25 -2.23 -0.01 0.00 -1.51 0.00 0.00 37.83 33.83 3mbx s LYS 151 CO -0.00 0.58 0.68 -0.25 -0.36 0.00 0.00 175.35 176.00 3mbx n ASP 152 N 2.16 -7.09 -4.31 1.43 8.00 0.11 -1.50 116.55 115.35 3mbx n ASP 152 Ca -0.17 -0.19 -0.17 0.00 0.71 0.00 0.00 54.79 54.98 3mbx n ASP 152 Cb 0.52 -4.92 -0.10 0.00 -0.02 0.00 0.00 41.12 36.59 3mbx n ASP 152 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3mbx s TYR 153 N -3.07 1.51 -0.27 1.24 1.13 -0.64 -4.22 117.35 113.02 3mbx s TYR 153 Ca 0.09 -0.84 -0.25 0.00 -1.41 0.00 0.00 57.07 54.66 3mbx s TYR 153 Cb -0.01 -0.83 0.08 0.00 -1.10 0.00 0.00 41.96 40.10 3mbx s TYR 153 CO 0.68 0.04 0.79 0.12 -2.51 0.00 0.00 175.55 174.67 3mbx s PHE 154 N -3.34 -0.71 0.50 -3.49 2.19 0.30 0.07 117.98 113.49 3mbx s PHE 154 Ca 0.25 1.73 -0.05 0.00 0.33 0.00 0.00 56.93 59.19 3mbx s PHE 154 Cb 0.04 0.30 0.11 0.00 -1.31 0.00 0.00 43.02 42.15 3mbx s PHE 154 CO 0.06 -0.35 0.68 -0.35 1.83 0.00 0.00 175.22 177.09 3mbx n PRO 155 N 2.52 -0.26 -1.14 10.12 -0.04 -1.26 -0.89 135.00 144.04 3mbx n PRO 155 Ca -0.14 -1.40 -0.30 0.00 -0.04 0.00 0.00 63.50 61.62 3mbx n PRO 155 Cb 0.55 -0.59 0.13 0.00 -0.04 0.00 0.00 33.50 33.56 3mbx n PRO 155 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3mbx s GLU 156 N -4.32 1.40 0.45 0.54 2.02 -1.26 -4.77 118.70 112.75 3mbx s GLU 156 Ca 0.41 0.98 0.08 0.00 0.02 0.00 0.00 54.97 56.46 3mbx s GLU 156 Cb -0.02 -1.81 0.02 0.00 0.10 0.00 0.00 34.13 32.42 3mbx s GLU 156 CO 0.28 -2.19 0.56 -1.25 0.02 0.00 0.00 175.26 172.68 3mbx s PRO 157 N -4.88 2.65 0.21 0.39 0.04 -1.26 -4.93 135.00 127.22 3mbx s PRO 157 Ca 0.63 -1.41 0.09 0.00 0.04 0.00 0.00 61.00 60.36 3mbx s PRO 157 Cb -0.18 -2.63 -0.04 0.00 0.04 0.00 0.00 34.50 31.69 3mbx s PRO 157 CO 0.57 -0.37 -0.07 0.14 0.04 0.00 0.00 177.00 177.31 3mbx s VAL 158 N -2.45 3.25 0.05 -0.36 -7.23 -1.26 -4.50 120.40 107.90 3mbx s VAL 158 Ca 0.54 -1.76 0.07 0.00 -1.81 0.00 0.00 61.98 59.02 3mbx s VAL 158 Cb -0.07 -2.65 -0.03 0.00 0.56 0.00 0.00 36.38 34.18 3mbx s VAL 158 CO 0.32 -0.20 -0.16 0.42 -0.31 0.00 0.00 175.10 175.17 3mbx s THR 159 N -1.92 2.94 -0.05 5.32 -4.23 -0.34 -4.97 115.64 112.38 3mbx s THR 159 Ca 0.27 -1.17 0.01 0.00 -1.18 0.00 0.00 61.69 59.63 3mbx s THR 159 Cb -0.08 -2.27 0.02 0.00 1.34 0.00 0.00 72.50 71.51 3mbx s THR 159 CO 0.17 0.31 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.79 3mbx s VAL 160 N -0.97 0.79 0.36 2.29 1.01 -1.26 -1.59 120.40 121.02 3mbx s VAL 160 Ca 0.16 -0.27 0.05 0.00 0.00 0.00 0.00 61.98 61.92 3mbx s VAL 160 Cb -0.11 -0.76 -0.07 0.00 0.00 0.00 0.00 36.38 35.44 3mbx s VAL 160 CO 0.07 0.28 0.05 -0.94 0.00 0.00 0.00 175.10 174.55 3mbx s SER 161 N 0.85 2.89 -0.08 3.32 1.04 -0.38 -4.97 113.70 116.36 3mbx s SER 161 Ca -0.12 -1.40 0.03 0.00 0.48 0.00 0.00 55.95 54.95 3mbx s SER 161 Cb -0.15 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.84 3mbx s SER 161 CO 0.01 -0.58 -0.19 0.26 0.98 0.00 0.00 173.24 173.72 3mbx s TRP 162 N -3.11 2.09 -1.48 5.02 0.52 -1.26 -0.49 118.94 120.23 3mbx s TRP 162 Ca 0.35 -0.81 -0.08 0.00 0.02 0.00 0.00 56.10 55.57 3mbx s TRP 162 Cb 0.09 -1.43 0.06 0.00 -1.15 0.00 0.00 33.47 31.03 3mbx s TRP 162 CO 0.16 -0.34 0.76 0.09 0.02 0.00 0.00 176.95 177.64 3mbx n ASN 163 N 3.58 -2.71 -1.12 2.95 3.02 -0.12 -1.31 115.26 119.54 3mbx n ASN 163 Ca -0.20 -0.87 -0.15 0.00 -0.03 0.00 0.00 54.58 53.33 3mbx n ASN 163 Cb 0.52 -3.57 -0.06 0.00 -0.61 0.00 0.00 39.78 36.06 3mbx n ASN 163 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3mbx n SER 164 N -2.89 -5.33 0.00 6.41 7.64 -1.26 -1.21 113.62 116.97 3mbx n SER 164 Ca -0.11 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.13 3mbx n SER 164 Cb 0.59 -4.12 0.00 0.00 -1.01 0.00 0.00 64.21 59.67 3mbx n SER 164 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mbx n GLY 165 N -0.42 0.57 0.24 0.23 0.00 -0.43 -4.97 105.19 100.40 3mbx n GLY 165 Ca -0.15 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.85 3mbx n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mbx h ALA 166 N 0.00 1.18 -2.95 4.61 0.00 -0.96 -3.41 119.26 117.72 3mbx h ALA 166 Ca 0.00 -0.32 -0.66 0.00 0.00 0.00 0.00 54.91 53.93 3mbx h ALA 166 Cb 0.00 -0.12 -0.24 0.00 0.00 0.00 0.00 17.79 17.44 3mbx h ALA 166 CO 0.00 0.53 -0.62 -1.17 0.00 0.00 0.00 179.25 177.99 3mbx s LEU 167 N -8.67 3.64 0.00 0.00 2.96 -0.91 -4.91 118.68 110.79 3mbx s LEU 167 Ca -0.06 -0.40 0.00 0.00 -0.22 0.00 0.00 54.13 53.44 3mbx s LEU 167 Cb 0.14 -1.92 0.00 0.00 0.50 0.00 0.00 46.19 44.91 3mbx s LEU 167 CO 0.78 -0.10 0.00 0.35 -1.32 0.00 0.00 176.35 176.05 3mbx n THR 168 N 4.91 0.00 -2.35 3.68 -2.24 -1.26 -4.17 114.28 112.85 3mbx n THR 168 Ca -0.15 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.22 3mbx n THR 168 Cb 0.50 -0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 68.28 3mbx n THR 168 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3mbx s SER 169 N -1.85 7.08 -0.22 3.42 0.01 -1.26 -3.21 113.70 117.67 3mbx s SER 169 Ca 0.00 2.37 0.00 0.00 1.31 0.00 0.00 55.95 59.63 3mbx s SER 169 Cb 0.00 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.60 3mbx s SER 169 CO 0.00 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 173.94 3mbx n GLY 170 N 1.45 0.55 3.74 3.44 0.00 -1.26 -4.74 105.19 108.37 3mbx n GLY 170 Ca 0.01 -0.41 -0.38 0.00 0.00 0.00 0.00 46.02 45.24 3mbx n GLY 170 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3mbx s VAL 171 N -1.96 5.10 -0.29 1.61 1.01 -1.20 -1.99 120.40 122.68 3mbx s VAL 171 Ca 0.00 1.06 0.00 0.00 0.00 0.00 0.00 61.98 63.05 3mbx s VAL 171 Cb 0.00 -3.86 0.09 0.00 0.00 0.00 0.00 36.38 32.61 3mbx s VAL 171 CO 0.00 0.36 0.06 -1.00 0.00 0.00 0.00 175.10 174.51 3mbx s HIS 172 N 0.33 2.18 -0.35 5.22 3.76 0.11 -5.00 115.29 121.53 3mbx s HIS 172 Ca 0.28 -1.91 -0.15 0.00 -0.15 0.00 0.00 55.06 53.13 3mbx s HIS 172 Cb -0.16 -1.87 -0.01 0.00 1.11 0.00 0.00 32.58 31.65 3mbx s HIS 172 CO 0.13 -0.85 0.33 0.99 -0.85 0.00 0.00 174.74 174.49 3mbx s THR 173 N 1.46 5.20 0.44 1.30 2.01 -1.26 -1.06 115.64 123.73 3mbx s THR 173 Ca 0.06 -0.11 -0.21 0.00 0.31 0.00 0.00 61.69 61.75 3mbx s THR 173 Cb -0.18 -3.82 -0.10 0.00 0.01 0.00 0.00 72.50 68.41 3mbx s THR 173 CO -0.17 -0.11 0.97 -0.36 -0.69 0.00 0.00 174.62 174.26 3mbx s PHE 174 N 1.92 3.24 0.48 4.92 0.40 -0.60 -5.00 117.98 123.35 3mbx s PHE 174 Ca 0.10 1.61 -0.24 0.00 -0.60 0.00 0.00 56.93 57.79 3mbx s PHE 174 Cb -0.17 -2.91 -0.07 0.00 0.51 0.00 0.00 43.02 40.38 3mbx s PHE 174 CO 0.11 -0.28 1.40 -2.14 0.70 0.00 0.00 175.22 175.01 3mbx s PRO 175 N -3.16 3.49 0.54 0.24 0.02 -1.26 -4.65 135.00 130.21 3mbx s PRO 175 Ca 0.63 2.36 -0.21 0.00 0.02 0.00 0.00 61.00 63.80 3mbx s PRO 175 Cb -0.11 -2.51 -0.05 0.00 0.02 0.00 0.00 34.50 31.84 3mbx s PRO 175 CO 0.15 -0.95 1.21 0.00 -0.33 0.00 0.00 177.00 177.08 3mbx s ALA 176 N -1.24 2.73 -0.11 -1.55 0.00 -1.26 -4.84 121.76 115.49 3mbx s ALA 176 Ca 0.65 1.02 0.02 0.00 0.00 0.00 0.00 51.96 53.64 3mbx s ALA 176 Cb -0.43 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.24 3mbx s ALA 176 CO 0.53 -1.00 -0.17 0.08 0.00 0.00 0.00 175.76 175.20 3mbx s VAL 177 N -1.55 2.72 -0.21 0.00 1.01 -0.57 -4.93 120.40 116.86 3mbx s VAL 177 Ca 0.72 -0.79 -0.27 0.00 0.00 0.00 0.00 61.98 61.64 3mbx s VAL 177 Cb -0.31 -2.11 -0.00 0.00 0.00 0.00 0.00 36.38 33.97 3mbx s VAL 177 CO 0.35 0.54 0.93 -0.22 0.00 0.00 0.00 175.10 176.70 3mbx s LEU 178 N 0.26 4.12 0.45 3.92 2.96 -1.26 -1.76 118.68 127.37 3mbx s LEU 178 Ca -0.12 1.24 -0.00 0.00 -0.22 0.00 0.00 54.13 55.03 3mbx s LEU 178 Cb -0.16 -3.37 -0.01 0.00 0.50 0.00 0.00 46.19 43.15 3mbx s LEU 178 CO 0.06 -0.55 0.68 -1.10 -1.32 0.00 0.00 176.35 174.12 3mbx s GLN 179 N 2.80 3.13 0.56 1.98 -0.21 0.17 -4.97 119.66 123.12 3mbx s GLN 179 Ca 0.40 -0.39 0.27 0.00 0.02 0.00 0.00 55.36 55.66 3mbx s GLN 179 Cb -0.16 -2.54 1.47 0.00 1.00 0.00 0.00 33.01 32.79 3mbx s GLN 179 CO 0.08 -0.25 2.00 0.77 -2.12 0.00 0.00 175.29 175.77 3mbx h SER 180 N 0.38 0.00 0.23 5.90 0.02 -1.97 -0.48 113.55 117.64 3mbx h SER 180 Ca -0.46 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 3mbx h SER 180 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 3mbx h SER 180 CO 0.58 0.00 0.00 0.77 -1.14 0.00 0.00 176.83 177.04 3mbx h SER 181 N 0.00 0.00 0.00 3.07 4.64 -2.02 -3.45 113.55 115.78 3mbx h SER 181 Ca 0.21 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.53 3mbx h SER 181 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 3mbx h SER 181 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3mbx n GLY 182 N -0.88 0.72 3.33 -0.77 0.00 -0.19 -5.08 105.19 102.32 3mbx n GLY 182 Ca -0.01 -0.27 -0.28 0.00 0.00 0.00 0.00 46.02 45.46 3mbx n GLY 182 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mbx s LEU 183 N 0.00 2.23 0.33 0.99 1.43 -1.24 -4.84 118.68 117.58 3mbx s LEU 183 Ca 0.00 -0.64 -0.02 0.00 -1.03 0.00 0.00 54.13 52.45 3mbx s LEU 183 Cb 0.00 -1.15 -0.04 0.00 0.03 0.00 0.00 46.19 45.03 3mbx s LEU 183 CO 0.00 0.19 0.56 -0.31 0.23 0.00 0.00 176.35 177.02 3mbx s TYR 184 N -0.93 3.50 -0.04 0.29 1.51 0.11 -0.66 117.35 121.13 3mbx s TYR 184 Ca 0.11 0.47 -0.14 0.00 -1.01 0.00 0.00 57.07 56.50 3mbx s TYR 184 Cb -0.10 -1.98 0.02 0.00 -0.11 0.00 0.00 41.96 39.79 3mbx s TYR 184 CO 0.03 0.12 0.31 0.45 -1.11 0.00 0.00 175.55 175.36 3mbx s SER 185 N -3.73 -0.22 0.20 2.29 0.15 -0.72 -0.71 113.70 110.96 3mbx s SER 185 Ca 0.42 0.21 -0.14 0.00 0.70 0.00 0.00 55.95 57.14 3mbx s SER 185 Cb -0.10 0.40 0.01 0.00 -1.71 0.00 0.00 66.02 64.61 3mbx s SER 185 CO 0.35 -0.37 0.44 -1.48 1.20 0.00 0.00 173.24 173.37 3mbx s LEU 186 N -0.97 0.43 0.12 3.45 0.05 -0.34 -1.51 118.68 119.91 3mbx s LEU 186 Ca -0.10 -0.72 0.10 0.00 0.05 0.00 0.00 54.13 53.45 3mbx s LEU 186 Cb -0.05 1.74 -0.04 0.00 -2.05 0.00 0.00 46.19 45.80 3mbx s LEU 186 CO 0.03 -1.03 -0.24 -0.44 -0.55 0.00 0.00 176.35 174.13 3mbx s SER 187 N -2.94 2.96 -0.12 1.48 0.01 -1.26 0.18 113.70 114.02 3mbx s SER 187 Ca 0.15 -0.73 0.03 0.00 1.31 0.00 0.00 55.95 56.71 3mbx s SER 187 Cb 0.00 -0.18 0.01 0.00 0.21 0.00 0.00 66.02 66.06 3mbx s SER 187 CO 0.01 0.12 -0.22 -0.55 0.41 0.00 0.00 173.24 173.00 3mbx s SER 188 N -2.04 3.03 -0.04 2.44 0.15 -0.21 -1.56 113.70 115.48 3mbx s SER 188 Ca 0.11 -0.57 0.04 0.00 0.70 0.00 0.00 55.95 56.23 3mbx s SER 188 Cb -0.10 -1.39 -0.00 0.00 -1.71 0.00 0.00 66.02 62.82 3mbx s SER 188 CO 0.05 0.12 -0.15 -0.69 1.20 0.00 0.00 173.24 173.77 3mbx s VAL 189 N 0.58 1.27 0.07 4.45 1.01 -0.22 -0.78 120.40 126.78 3mbx s VAL 189 Ca -0.13 -0.63 0.08 0.00 0.00 0.00 0.00 61.98 61.30 3mbx s VAL 189 Cb -0.17 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 3mbx s VAL 189 CO 0.04 0.37 -0.22 0.54 0.00 0.00 0.00 175.10 175.83 3mbx s VAL 190 N 0.04 1.80 -0.14 2.92 0.11 0.59 0.07 120.40 125.79 3mbx s VAL 190 Ca -0.03 -1.41 -0.03 0.00 -2.93 0.00 0.00 61.98 57.59 3mbx s VAL 190 Cb -0.10 -1.59 -0.03 0.00 -1.53 0.00 0.00 36.38 33.13 3mbx s VAL 190 CO 0.02 0.12 -0.04 0.42 -3.33 0.00 0.00 175.10 172.28 3mbx s THR 191 N -0.96 3.90 0.13 5.04 -4.23 -0.84 -1.22 115.64 117.46 3mbx s THR 191 Ca 0.08 -0.36 -0.01 0.00 -1.18 0.00 0.00 61.69 60.22 3mbx s THR 191 Cb -0.09 -2.69 -0.04 0.00 1.34 0.00 0.00 72.50 71.01 3mbx s THR 191 CO 0.03 0.52 0.04 0.68 -0.54 0.00 0.00 174.62 175.35 3mbx s VAL 192 N 0.12 0.15 0.24 2.29 -7.23 0.36 -4.72 120.40 111.61 3mbx s VAL 192 Ca -0.01 -1.91 -0.30 0.00 -1.81 0.00 0.00 61.98 57.95 3mbx s VAL 192 Cb -0.14 -2.00 -0.10 0.00 0.56 0.00 0.00 36.38 34.70 3mbx s VAL 192 CO 0.03 -0.52 1.51 -2.84 -0.31 0.00 0.00 175.10 172.97 3mbx s PRO 193 N -4.03 4.21 0.40 4.82 0.02 -1.26 0.02 135.00 139.19 3mbx s PRO 193 Ca 0.22 2.39 0.10 0.00 0.02 0.00 0.00 61.00 63.74 3mbx s PRO 193 Cb 0.07 -3.10 0.84 0.00 0.02 0.00 0.00 34.50 32.33 3mbx s PRO 193 CO 0.01 -0.52 1.94 0.66 -0.33 0.00 0.00 177.00 178.76 3mbx h SER 194 N 5.40 0.19 0.15 2.53 4.64 -0.92 -1.27 113.55 124.28 3mbx h SER 194 Ca -0.45 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3mbx h SER 194 Cb 1.21 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3mbx h SER 194 CO 0.81 0.34 0.00 0.77 -0.87 0.00 0.00 176.83 177.88 3mbx h SER 195 N 0.20 0.00 0.61 4.97 4.64 -1.90 -2.59 113.55 119.48 3mbx h SER 195 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3mbx h SER 195 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 3mbx h SER 195 CO 0.02 0.00 -0.58 -1.54 -0.87 0.00 0.00 176.83 173.85 3mbx n SER 196 N -2.37 0.56 -0.15 4.97 3.41 -0.48 -4.38 113.62 115.19 3mbx n SER 196 Ca -0.01 -0.13 0.07 0.00 -0.26 0.00 0.00 58.87 58.54 3mbx n SER 196 Cb 0.08 0.27 0.37 0.00 -0.26 0.00 0.00 64.21 64.67 3mbx n SER 196 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3mbx h LEU 197 N 0.00 0.61 -0.51 1.04 3.38 -1.57 -0.49 115.31 117.78 3mbx h LEU 197 Ca 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 3mbx h LEU 197 Cb 0.60 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3mbx h LEU 197 CO 0.00 0.40 -0.74 1.23 0.09 0.00 0.00 178.44 179.42 3mbx h GLY 198 N 0.70 0.03 0.00 0.83 0.00 -1.82 -3.37 103.07 99.44 3mbx h GLY 198 Ca 0.29 -0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.56 3mbx h GLY 198 CO -0.09 0.04 -1.54 -1.30 0.00 0.00 0.00 176.54 173.65 3mbx n THR 199 N -3.67 0.03 -3.86 4.70 -2.24 -0.94 -4.96 114.28 103.34 3mbx n THR 199 Ca -0.01 -0.27 -0.36 0.00 -2.27 0.00 0.00 64.05 61.14 3mbx n THR 199 Cb 0.72 0.20 -0.12 0.00 -2.10 0.00 0.00 70.33 69.03 3mbx n THR 199 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3mbx s GLN 200 N -2.79 3.69 0.31 -0.78 2.00 -0.23 -5.09 119.66 116.76 3mbx s GLN 200 Ca -0.04 -0.47 -0.27 0.00 -2.00 0.00 0.00 55.36 52.57 3mbx s GLN 200 Cb 0.07 -3.26 -0.09 0.00 0.80 0.00 0.00 33.01 30.53 3mbx s GLN 200 CO 0.49 -0.09 1.01 0.95 -0.50 0.00 0.00 175.29 177.14 3mbx s THR 201 N 1.34 3.87 -0.12 -0.34 -4.23 -1.26 -4.77 115.64 110.12 3mbx s THR 201 Ca 0.05 1.69 -0.00 0.00 -1.18 0.00 0.00 61.69 62.25 3mbx s THR 201 Cb -0.15 -4.00 0.02 0.00 1.34 0.00 0.00 72.50 69.72 3mbx s THR 201 CO 0.03 0.26 -0.09 -0.31 -0.54 0.00 0.00 174.62 173.97 3mbx s TYR 202 N -1.40 1.61 -0.09 3.99 1.51 -1.26 -4.99 117.35 116.73 3mbx s TYR 202 Ca 0.48 -0.83 0.03 0.00 -1.01 0.00 0.00 57.07 55.73 3mbx s TYR 202 Cb -0.25 -1.30 0.01 0.00 -0.11 0.00 0.00 41.96 40.31 3mbx s TYR 202 CO 0.31 -0.54 -0.17 0.42 -1.11 0.00 0.00 175.55 174.46 3mbx s ILE 203 N 1.67 1.53 -0.17 2.71 1.01 -1.26 -0.36 121.20 126.31 3mbx s ILE 203 Ca 0.05 -0.70 -0.13 0.00 0.00 0.00 0.00 60.65 59.87 3mbx s ILE 203 Cb -0.13 -1.36 -0.05 0.00 0.01 0.00 0.00 42.46 40.94 3mbx s ILE 203 CO -0.09 0.44 0.27 0.00 0.00 0.00 0.00 174.94 175.57 3mbx s ASN 205 N 0.54 5.87 -0.14 0.00 -0.87 0.35 -1.14 114.94 119.56 3mbx s ASN 205 Ca 0.15 -1.09 -0.02 0.00 -1.57 0.00 0.00 52.86 50.33 3mbx s ASN 205 Cb -0.13 -2.07 -0.02 0.00 -0.02 0.00 0.00 41.25 39.00 3mbx s ASN 205 CO 0.03 -0.46 -0.07 -0.69 -2.57 0.00 0.00 177.10 173.35 3mbx s VAL 206 N 1.58 3.61 -0.07 1.60 1.01 0.20 -1.25 120.40 127.08 3mbx s VAL 206 Ca 0.03 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.55 3mbx s VAL 206 Cb -0.20 -2.55 0.02 0.00 0.00 0.00 0.00 36.38 33.65 3mbx s VAL 206 CO 0.07 0.52 -0.08 0.21 0.00 0.00 0.00 175.10 175.81 3mbx s ASN 207 N 0.19 1.67 -0.43 3.32 3.04 -0.62 -1.14 114.94 120.97 3mbx s ASN 207 Ca -0.04 -0.24 0.03 0.00 0.04 0.00 0.00 52.86 52.65 3mbx s ASN 207 Cb -0.14 -0.71 0.12 0.00 -1.54 0.00 0.00 41.25 38.98 3mbx s ASN 207 CO 0.04 -0.05 0.17 -2.28 -3.04 0.00 0.00 177.10 171.94 3mbx s HIS 208 N 1.10 3.15 0.21 0.43 5.65 0.69 -1.20 115.29 125.32 3mbx s HIS 208 Ca -0.07 -2.92 -0.09 0.00 0.25 0.00 0.00 55.06 52.24 3mbx s HIS 208 Cb -0.14 -2.67 0.16 0.00 -1.18 0.00 0.00 32.58 28.74 3mbx s HIS 208 CO -0.01 -0.83 1.80 0.87 -0.65 0.00 0.00 174.74 175.92 3mbx h LYS 209 N 7.06 1.14 -0.56 2.88 1.57 -1.80 -1.51 116.57 125.35 3mbx h LYS 209 Ca -0.06 -0.17 0.16 0.00 -1.87 0.00 0.00 60.65 58.71 3mbx h LYS 209 Cb 0.95 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 33.04 3mbx h LYS 209 CO 0.59 0.88 0.43 -1.35 -0.57 0.00 0.00 179.45 179.43 3mbx h PRO 210 N 1.11 0.00 -0.30 3.15 0.11 -1.93 -1.74 132.00 132.41 3mbx h PRO 210 Ca 0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.38 3mbx h PRO 210 Cb 0.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.23 3mbx h PRO 210 CO -0.03 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.63 3mbx n SER 211 N -4.21 2.79 -3.93 -2.05 3.41 -1.09 -4.98 113.62 103.58 3mbx n SER 211 Ca 0.10 -1.88 -0.28 0.00 -0.26 0.00 0.00 58.87 56.56 3mbx n SER 211 Cb 0.66 -0.19 0.01 0.00 -0.26 0.00 0.00 64.21 64.43 3mbx n SER 211 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3mbx n ASN 212 N 0.66 -2.75 -4.49 4.04 4.13 -0.66 -4.89 115.26 111.31 3mbx n ASN 212 Ca 0.12 -0.88 -0.39 0.00 1.68 0.00 0.00 54.58 55.12 3mbx n ASN 212 Cb 0.41 -3.56 -0.11 0.00 -1.54 0.00 0.00 39.78 34.98 3mbx n ASN 212 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3mbx s THR 213 N -3.52 4.85 -0.10 3.41 2.01 -0.60 -5.00 115.64 116.68 3mbx s THR 213 Ca 0.38 -0.22 0.01 0.00 0.31 0.00 0.00 61.69 62.17 3mbx s THR 213 Cb -0.20 -3.41 0.02 0.00 0.01 0.00 0.00 72.50 68.92 3mbx s THR 213 CO 0.85 0.13 -0.10 -0.75 -0.69 0.00 0.00 174.62 174.06 3mbx s LYS 214 N 1.67 1.70 -0.05 4.92 2.20 -1.26 -0.22 119.74 128.70 3mbx s LYS 214 Ca 0.06 -0.36 0.01 0.00 -0.36 0.00 0.00 55.97 55.32 3mbx s LYS 214 Cb -0.17 -1.60 0.02 0.00 -1.51 0.00 0.00 37.83 34.58 3mbx s LYS 214 CO 0.08 -0.15 -0.06 0.08 -0.36 0.00 0.00 175.35 174.93 3mbx s VAL 215 N 1.29 0.67 -0.35 4.02 1.01 -0.29 -5.01 120.40 121.73 3mbx s VAL 215 Ca -0.02 -0.21 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 3mbx s VAL 215 Cb -0.14 -0.66 0.07 0.00 0.00 0.00 0.00 36.38 35.64 3mbx s VAL 215 CO -0.04 0.25 0.11 -1.81 0.00 0.00 0.00 175.10 173.61 3mbx s ASP 216 N 0.82 5.19 -0.28 3.32 1.01 -1.26 -0.62 116.67 124.85 3mbx s ASP 216 Ca -0.12 -1.47 -0.07 0.00 0.71 0.00 0.00 52.55 51.60 3mbx s ASP 216 Cb -0.15 -1.82 -0.00 0.00 1.01 0.00 0.00 42.92 41.96 3mbx s ASP 216 CO 0.01 -0.39 0.08 -0.75 0.21 0.00 0.00 175.17 174.33 3mbx s LYS 217 N 1.28 3.23 0.06 8.23 2.47 -0.29 -4.92 119.74 129.80 3mbx s LYS 217 Ca 0.00 -0.76 -0.31 0.00 -1.56 0.00 0.00 55.97 53.35 3mbx s LYS 217 Cb -0.21 -3.36 -0.06 0.00 -1.46 0.00 0.00 37.83 32.74 3mbx s LYS 217 CO -0.00 -0.38 1.18 0.21 0.16 0.00 0.00 175.35 176.51 3mbx s LYS 218 N 1.53 4.45 -0.39 4.03 2.20 -1.26 -1.02 119.74 129.28 3mbx s LYS 218 Ca 0.04 1.74 -0.11 0.00 -0.36 0.00 0.00 55.97 57.28 3mbx s LYS 218 Cb -0.17 -3.35 0.04 0.00 -1.51 0.00 0.00 37.83 32.84 3mbx s LYS 218 CO 0.03 -0.23 0.23 0.08 -0.36 0.00 0.00 175.35 175.10 3mbx s VAL 219 N 0.99 4.54 -0.12 4.02 1.01 0.51 -4.93 120.40 126.43 3mbx s VAL 219 Ca 0.58 -0.97 -0.10 0.00 0.00 0.00 0.00 61.98 61.49 3mbx s VAL 219 Cb -0.29 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.45 3mbx s VAL 219 CO 0.29 -0.31 0.21 -1.61 0.00 0.00 0.00 175.10 173.69 3mbx s GLU 220 N 1.53 3.78 0.58 2.72 2.02 -1.26 -4.44 118.70 123.62 3mbx s GLU 220 Ca 0.02 -0.01 -0.20 0.00 0.02 0.00 0.00 54.97 54.80 3mbx s GLU 220 Cb -0.20 -3.27 -0.05 0.00 0.10 0.00 0.00 34.13 30.71 3mbx s GLU 220 CO 0.06 0.60 1.15 -2.30 0.02 0.00 0.00 175.26 174.79 3mbx n PRO 221 N 2.45 1.22 -3.50 0.39 -0.02 -1.26 -4.45 135.00 129.83 3mbx n PRO 221 Ca -0.17 0.46 -0.28 0.00 -2.02 0.00 0.00 63.50 61.49 3mbx n PRO 221 Cb 0.54 -2.35 -0.12 0.00 -0.02 0.00 0.00 33.50 31.55 3mbx n PRO 221 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3mbx s LYS 222 N -2.85 0.86 0.59 -0.52 2.20 -0.59 -4.92 119.74 114.51 3mbx s LYS 222 Ca 0.75 -1.76 -0.18 0.00 -0.36 0.00 0.00 55.97 54.42 3mbx s LYS 222 Cb -0.42 -1.60 -0.04 0.00 -1.51 0.00 0.00 37.83 34.26 3mbx s LYS 222 CO 0.47 -1.26 1.12 -1.12 -0.36 0.00 0.00 175.35 174.20 3mbx s SER 223 N 0.54 5.51 -0.03 1.43 0.01 -1.26 -4.49 113.70 115.42 3mbx s SER 223 Ca 0.23 2.09 -0.01 0.00 1.31 0.00 0.00 55.95 59.57 3mbx s SER 223 Cb -0.14 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.48 3mbx s SER 223 CO -0.06 -1.36 0.07 0.00 0.41 0.00 0.00 173.24 172.30 3mbx s HIS 225 N -1.12 3.47 -0.41 0.00 5.04 -1.26 -5.05 115.29 115.96 3mbx s HIS 225 Ca 0.20 0.85 -0.14 0.00 -1.54 0.00 0.00 55.06 54.43 3mbx s HIS 225 Cb -0.12 -2.59 0.03 0.00 0.04 0.00 0.00 32.58 29.94 3mbx s HIS 225 CO 0.11 0.08 0.29 -1.01 -2.34 0.00 0.00 174.74 171.87 3mbx s HIS 226 N 0.95 3.24 0.25 3.88 3.76 -1.26 -5.06 115.29 121.05 3mbx s HIS 226 Ca 0.25 -0.70 -0.30 0.00 -0.15 0.00 0.00 55.06 54.17 3mbx s HIS 226 Cb -0.15 -2.62 -0.10 0.00 1.11 0.00 0.00 32.58 30.82 3mbx s HIS 226 CO 0.10 -0.62 1.34 -1.58 -0.85 0.00 0.00 174.74 173.13 3mbx s HIS 227 N 1.65 3.15 -1.28 1.40 2.46 -1.26 -3.73 115.29 117.68 3mbx s HIS 227 Ca 0.04 1.23 -0.09 0.00 0.47 0.00 0.00 55.06 56.72 3mbx s HIS 227 Cb -0.20 -3.67 -0.00 0.00 -0.13 0.00 0.00 32.58 28.58 3mbx s HIS 227 CO 0.09 -2.05 0.61 1.58 -2.47 0.00 0.00 174.74 172.51 3mbx n HIS 228 N 2.01 -1.79 -3.69 3.88 -0.00 -1.26 -4.97 115.22 109.40 3mbx n HIS 228 Ca 0.04 0.64 -0.14 0.00 0.46 0.00 0.00 57.72 58.72 3mbx n HIS 228 Cb 0.42 -3.72 -0.14 0.00 -0.12 0.00 0.00 29.99 26.43 3mbx n HIS 228 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 3mbx s HIS 229 N -3.71 -0.29 -2.28 1.57 5.04 -1.24 -5.34 115.29 109.04 3mbx s HIS 229 Ca 0.20 0.75 0.30 0.00 -1.54 0.00 0.00 55.06 54.76 3mbx s HIS 229 Cb -0.07 -0.09 1.44 0.00 0.04 0.00 0.00 32.58 33.89 3mbx s HIS 229 CO 0.87 -0.27 1.96 0.72 -2.34 0.00 0.00 174.74 175.67