#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hmx s TRP 2 N 0.00 1.98 -0.20 9.51 1.48 -0.62 -4.97 118.94 126.12 3hmx s TRP 2 Ca 0.00 -0.97 -0.10 0.00 -1.06 0.00 0.00 56.10 53.97 3hmx s TRP 2 Cb 0.00 -1.31 -0.05 0.00 -1.16 0.00 0.00 33.47 30.95 3hmx s TRP 2 CO 0.00 0.01 0.13 -2.00 -4.06 0.00 0.00 176.95 171.03 3hmx s GLU 3 N -3.87 4.19 0.00 3.25 2.12 -1.26 -0.76 118.70 122.37 3hmx s GLU 3 Ca 0.35 -0.22 0.00 0.00 0.36 0.00 0.00 54.97 55.46 3hmx s GLU 3 Cb 0.08 -3.42 0.00 0.00 0.26 0.00 0.00 34.13 31.05 3hmx s GLU 3 CO 0.15 0.30 0.00 -0.11 -0.54 0.00 0.00 175.26 175.07 3hmx n LEU 4 N 3.51 0.26 0.00 2.70 7.94 0.15 -4.92 117.00 126.64 3hmx n LEU 4 Ca -0.16 0.00 -0.26 0.00 -1.11 0.00 0.00 56.01 54.48 3hmx n LEU 4 Cb 0.52 0.00 0.16 0.00 0.53 0.00 0.00 43.42 44.63 3hmx n LEU 4 CO 0.37 0.00 0.71 0.29 -1.11 0.00 0.00 177.39 177.65 3hmx n LYS 5 N -0.16 -0.66 -2.14 1.96 4.01 -1.21 -4.97 118.16 114.98 3hmx n LYS 5 Ca 0.00 -2.45 -0.42 0.00 -0.51 0.00 0.00 58.31 54.93 3hmx n LYS 5 Cb 0.00 -0.99 -0.03 0.00 -0.51 0.00 0.00 35.03 33.50 3hmx n LYS 5 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 3hmx s LYS 6 N -5.50 4.29 -0.78 1.97 2.47 -1.26 -2.53 119.74 118.39 3hmx s LYS 6 Ca 0.71 2.09 0.00 0.00 -1.56 0.00 0.00 55.97 57.21 3hmx s LYS 6 Cb -0.03 -3.36 0.00 0.00 -1.46 0.00 0.00 37.83 32.98 3hmx s LYS 6 CO 0.48 -0.51 0.00 -0.25 0.16 0.00 0.00 175.35 175.23 3hmx n ASP 7 N 4.48 -3.97 -3.77 1.43 10.43 -1.26 -5.00 116.55 118.90 3hmx n ASP 7 Ca 0.12 0.18 -0.26 0.00 2.57 0.00 0.00 54.79 57.41 3hmx n ASP 7 Cb 0.42 -2.12 -0.17 0.00 1.84 0.00 0.00 41.12 41.10 3hmx n ASP 7 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3hmx s VAL 8 N -2.25 0.54 0.06 2.53 1.01 -1.05 -2.22 120.40 119.02 3hmx s VAL 8 Ca 0.00 -0.32 0.09 0.00 0.00 0.00 0.00 61.98 61.75 3hmx s VAL 8 Cb 0.00 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 3hmx s VAL 8 CO 0.00 0.00 -0.24 -0.31 0.00 0.00 0.00 175.10 174.56 3hmx s TYR 9 N 1.87 2.40 -0.11 5.22 1.51 -0.76 0.34 117.35 127.83 3hmx s TYR 9 Ca 0.01 -0.35 -0.00 0.00 -1.01 0.00 0.00 57.07 55.72 3hmx s TYR 9 Cb -0.15 -1.39 -0.02 0.00 -0.11 0.00 0.00 41.96 40.28 3hmx s TYR 9 CO -0.07 0.21 -0.09 0.08 -1.11 0.00 0.00 175.55 174.57 3hmx s VAL 10 N -0.89 3.46 -0.06 0.71 1.01 0.06 -0.82 120.40 123.86 3hmx s VAL 10 Ca 0.13 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.63 3hmx s VAL 10 Cb -0.10 -2.45 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 3hmx s VAL 10 CO 0.04 0.55 -0.24 0.68 0.00 0.00 0.00 175.10 176.13 3hmx s VAL 11 N -0.14 2.15 -0.13 2.92 -7.23 -0.50 -1.59 120.40 115.87 3hmx s VAL 11 Ca 0.01 -1.03 -0.07 0.00 -1.81 0.00 0.00 61.98 59.07 3hmx s VAL 11 Cb -0.13 -1.78 -0.04 0.00 0.56 0.00 0.00 36.38 34.98 3hmx s VAL 11 CO 0.03 0.57 0.13 -1.83 -0.31 0.00 0.00 175.10 173.68 3hmx s GLU 12 N -0.16 3.55 -0.12 4.82 -1.05 -1.26 -1.38 118.70 123.09 3hmx s GLU 12 Ca -0.04 -0.17 -0.12 0.00 -0.15 0.00 0.00 54.97 54.49 3hmx s GLU 12 Cb -0.14 -3.20 0.03 0.00 -0.44 0.00 0.00 34.13 30.38 3hmx s GLU 12 CO 0.04 0.68 0.34 -0.48 0.95 0.00 0.00 175.26 176.78 3hmx s LEU 13 N -0.74 0.71 0.30 1.83 0.05 -0.81 -4.96 118.68 115.06 3hmx s LEU 13 Ca 0.13 0.65 -0.18 0.00 0.05 0.00 0.00 54.13 54.78 3hmx s LEU 13 Cb -0.12 1.17 -0.09 0.00 -2.05 0.00 0.00 46.19 45.10 3hmx s LEU 13 CO 0.03 -0.14 0.78 -0.62 -0.55 0.00 0.00 176.35 175.85 3hmx s ASP 14 N 0.10 6.94 -0.34 1.48 2.15 -1.26 -2.13 116.67 123.62 3hmx s ASP 14 Ca -0.01 1.43 0.05 0.00 0.43 0.00 0.00 52.55 54.45 3hmx s ASP 14 Cb -0.03 -2.43 0.57 0.00 -0.30 0.00 0.00 42.92 40.73 3hmx s ASP 14 CO 0.01 -0.13 1.71 0.79 -0.17 0.00 0.00 175.17 177.38 3hmx n TRP 15 N 0.07 2.36 -2.79 -5.34 5.03 -0.91 -4.90 117.44 110.95 3hmx n TRP 15 Ca 0.02 -1.42 -0.42 0.00 3.03 0.00 0.00 57.50 58.71 3hmx n TRP 15 Cb 0.52 -0.75 -0.03 0.00 -1.03 0.00 0.00 31.31 30.02 3hmx n TRP 15 CO 0.00 0.00 0.00 1.52 -0.03 0.00 0.00 177.69 179.18 3hmx s TYR 16 N -2.64 3.58 0.19 -5.99 1.13 -1.26 -4.96 117.35 107.40 3hmx s TYR 16 Ca 0.46 1.53 -0.20 0.00 -1.41 0.00 0.00 57.07 57.45 3hmx s TYR 16 Cb 0.38 -3.06 0.14 0.00 -1.10 0.00 0.00 41.96 38.32 3hmx s TYR 16 CO 0.10 -0.07 1.59 -1.35 -2.51 0.00 0.00 175.55 173.30 3hmx h PRO 17 N 6.93 -0.14 -1.93 -3.49 0.11 -1.99 -1.14 132.00 130.36 3hmx h PRO 17 Ca -0.37 0.01 -0.30 0.00 0.11 0.00 0.00 66.00 65.45 3hmx h PRO 17 Cb 1.19 0.03 -0.11 0.00 0.11 0.00 0.00 31.00 32.22 3hmx h PRO 17 CO 0.79 -0.09 0.06 -0.40 -0.21 0.00 0.00 178.00 178.14 3hmx n ASP 18 N -5.44 5.87 -4.43 -2.05 5.68 -1.26 -4.86 116.55 110.06 3hmx n ASP 18 Ca 0.05 -2.82 -0.29 0.00 -0.50 0.00 0.00 54.79 51.22 3hmx n ASP 18 Cb 0.35 -1.26 -0.12 0.00 -1.14 0.00 0.00 41.12 38.95 3hmx n ASP 18 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hmx s ALA 19 N -0.51 2.52 1.03 2.12 0.00 -0.43 -5.14 121.76 121.35 3hmx s ALA 19 Ca 0.51 -1.37 -0.16 0.00 0.00 0.00 0.00 51.96 50.93 3hmx s ALA 19 Cb 0.29 -0.54 0.23 0.00 0.00 0.00 0.00 23.12 23.10 3hmx s ALA 19 CO -0.08 0.57 1.25 -2.30 0.00 0.00 0.00 175.76 175.19 3hmx n PRO 20 N 1.01 -1.48 -2.97 0.00 -0.02 -1.26 -5.01 135.00 125.26 3hmx n PRO 20 Ca -0.17 -1.93 -0.18 0.00 -2.02 0.00 0.00 63.50 59.21 3hmx n PRO 20 Cb 0.53 -1.35 0.01 0.00 -0.02 0.00 0.00 33.50 32.67 3hmx n PRO 20 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hmx n GLY 21 N -3.48 2.58 3.53 -1.23 0.00 -1.26 -4.91 105.19 100.41 3hmx n GLY 21 Ca 0.16 -2.25 -0.34 0.00 0.00 0.00 0.00 46.02 43.59 3hmx n GLY 21 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hmx s GLU 22 N -3.71 3.26 -0.74 1.61 2.12 -0.77 -4.87 118.70 115.60 3hmx s GLU 22 Ca 0.29 -0.54 -0.21 0.00 0.36 0.00 0.00 54.97 54.87 3hmx s GLU 22 Cb -0.02 -2.75 0.09 0.00 0.26 0.00 0.00 34.13 31.71 3hmx s GLU 22 CO 0.18 0.42 0.98 1.41 -0.54 0.00 0.00 175.26 177.72 3hmx s MET 23 N -0.15 3.26 -0.01 4.30 -2.45 -1.26 -0.85 119.30 122.14 3hmx s MET 23 Ca 0.02 -1.21 -0.01 0.00 -1.25 0.00 0.00 55.69 53.24 3hmx s MET 23 Cb -0.13 -4.46 -0.04 0.00 1.25 0.00 0.00 34.83 31.45 3hmx s MET 23 CO 0.03 -1.76 0.10 0.54 1.05 0.00 0.00 175.02 174.97 3hmx s VAL 24 N 3.42 4.85 -0.29 10.11 0.11 -0.55 -4.92 120.40 133.13 3hmx s VAL 24 Ca 0.24 -0.35 -0.02 0.00 -2.93 0.00 0.00 61.98 58.92 3hmx s VAL 24 Cb -0.14 -3.22 0.04 0.00 -1.53 0.00 0.00 36.38 31.53 3hmx s VAL 24 CO 0.03 0.36 -0.01 -0.69 -3.33 0.00 0.00 175.10 171.46 3hmx s VAL 25 N -1.20 3.00 -0.24 2.04 1.01 -1.26 -0.76 120.40 122.99 3hmx s VAL 25 Ca 0.23 -1.26 -0.21 0.00 0.00 0.00 0.00 61.98 60.74 3hmx s VAL 25 Cb -0.12 -2.66 -0.02 0.00 0.00 0.00 0.00 36.38 33.58 3hmx s VAL 25 CO 0.14 -0.02 0.65 -0.76 0.00 0.00 0.00 175.10 175.12 3hmx s LEU 26 N 1.28 4.08 0.04 3.92 1.43 0.65 -4.88 118.68 125.21 3hmx s LEU 26 Ca -0.03 0.78 -0.01 0.00 -1.03 0.00 0.00 54.13 53.84 3hmx s LEU 26 Cb -0.19 -2.90 -0.04 0.00 0.03 0.00 0.00 46.19 43.09 3hmx s LEU 26 CO -0.02 -0.36 0.20 -0.89 0.23 0.00 0.00 176.35 175.51 3hmx s THR 27 N 2.39 5.40 -0.10 5.49 2.01 -1.26 0.11 115.64 129.69 3hmx s THR 27 Ca 0.28 -0.31 -0.14 0.00 0.31 0.00 0.00 61.69 61.82 3hmx s THR 27 Cb -0.16 -3.60 -0.05 0.00 0.01 0.00 0.00 72.50 68.70 3hmx s THR 27 CO 0.09 0.20 0.35 0.00 -0.69 0.00 0.00 174.62 174.57 3hmx n ASP 29 N 2.87 4.42 -3.90 0.00 -0.08 -1.26 -4.83 116.55 113.78 3hmx n ASP 29 Ca -0.12 -2.57 -0.10 0.00 -1.51 0.00 0.00 54.79 50.49 3hmx n ASP 29 Cb 0.52 -1.26 -0.09 0.00 2.34 0.00 0.00 41.12 42.63 3hmx n ASP 29 CO 0.00 0.00 0.00 0.28 0.12 0.00 0.00 177.20 177.60 3hmx s THR 30 N 3.76 0.11 -0.09 5.18 -1.32 -1.26 -4.84 115.64 117.18 3hmx s THR 30 Ca 0.51 -0.89 -0.24 0.00 -1.21 0.00 0.00 61.69 59.86 3hmx s THR 30 Cb 0.13 -0.68 -0.20 0.00 -1.51 0.00 0.00 72.50 70.25 3hmx s THR 30 CO 0.01 -0.49 0.84 -0.65 -2.21 0.00 0.00 174.62 172.11 3hmx h PRO 31 N 3.93 -0.06 -6.88 7.08 0.11 -2.04 -3.46 132.00 130.69 3hmx h PRO 31 Ca -0.32 0.00 -0.47 0.00 0.11 0.00 0.00 66.00 65.33 3hmx h PRO 31 Cb 1.19 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 3hmx h PRO 31 CO 0.46 0.60 0.33 -1.83 -0.21 0.00 0.00 178.00 177.34 3hmx s GLU 32 N -2.92 4.52 -0.14 1.05 -1.05 -1.26 -4.98 118.70 113.93 3hmx s GLU 32 Ca -0.15 1.27 0.17 0.00 -0.15 0.00 0.00 54.97 56.11 3hmx s GLU 32 Cb -0.01 -2.74 0.30 0.00 -0.44 0.00 0.00 34.13 31.24 3hmx s GLU 32 CO 0.57 0.26 1.16 0.39 0.95 0.00 0.00 175.26 178.58 3hmx n GLU 33 N 0.45 1.29 0.00 -4.83 1.02 -1.26 -4.96 120.64 112.34 3hmx n GLU 33 Ca 0.02 -2.65 0.00 0.00 -0.02 0.00 0.00 57.16 54.51 3hmx n GLU 33 Cb 0.51 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 3hmx n GLU 33 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3hmx n ASP 34 N -1.33 0.00 -3.71 1.62 8.00 -1.26 -4.48 116.55 115.38 3hmx n ASP 34 Ca 0.16 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.24 3hmx n ASP 34 Cb 0.65 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.71 3hmx n ASP 34 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hmx n GLY 35 N 4.98 2.77 3.88 0.44 0.00 -1.26 -4.71 105.19 111.30 3hmx n GLY 35 Ca 0.00 -1.29 -0.21 0.00 0.00 0.00 0.00 46.02 44.51 3hmx n GLY 35 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3hmx s ILE 36 N 5.06 4.60 0.05 -0.61 -0.00 -1.26 -4.62 121.20 124.43 3hmx s ILE 36 Ca 0.56 -1.24 -0.04 0.00 -0.00 0.00 0.00 60.65 59.93 3hmx s ILE 36 Cb 0.13 -3.53 -0.02 0.00 -0.00 0.00 0.00 42.46 39.04 3hmx s ILE 36 CO 0.09 -0.32 0.07 0.42 -0.00 0.00 0.00 174.94 175.20 3hmx s THR 37 N -2.10 0.16 0.27 8.37 -4.23 -1.11 -3.42 115.64 113.58 3hmx s THR 37 Ca 0.35 -1.34 0.10 0.00 -1.18 0.00 0.00 61.69 59.61 3hmx s THR 37 Cb -0.08 -1.17 -0.04 0.00 1.34 0.00 0.00 72.50 72.54 3hmx s THR 37 CO 0.27 -0.74 -0.02 0.26 -0.54 0.00 0.00 174.62 173.84 3hmx s TRP 38 N -3.27 2.66 0.26 3.99 0.52 -0.73 -0.19 118.94 122.17 3hmx s TRP 38 Ca 0.01 -0.23 -0.10 0.00 0.02 0.00 0.00 56.10 55.80 3hmx s TRP 38 Cb 0.03 -1.17 -0.01 0.00 -1.15 0.00 0.00 33.47 31.17 3hmx s TRP 38 CO -0.08 0.63 0.45 -0.08 0.02 0.00 0.00 176.95 177.89 3hmx s THR 39 N -2.34 0.00 -0.02 2.01 -1.32 -0.55 -1.77 115.64 111.66 3hmx s THR 39 Ca 0.31 -1.49 0.00 0.00 -1.21 0.00 0.00 61.69 59.30 3hmx s THR 39 Cb -0.06 -2.32 0.02 0.00 -1.51 0.00 0.00 72.50 68.62 3hmx s THR 39 CO 0.19 0.00 0.01 -0.22 -2.21 0.00 0.00 174.62 172.39 3hmx s LEU 40 N -3.07 1.38 0.00 9.08 2.96 -1.26 -2.05 118.68 125.73 3hmx s LEU 40 Ca 0.25 -0.00 0.00 0.00 -0.22 0.00 0.00 54.13 54.16 3hmx s LEU 40 Cb 0.00 -0.12 0.00 0.00 0.50 0.00 0.00 46.19 46.57 3hmx s LEU 40 CO 0.11 -0.08 0.00 0.47 -1.32 0.00 0.00 176.35 175.54 3hmx n ASP 41 N 3.83 0.00 -0.88 3.68 8.00 0.00 -2.29 116.55 128.88 3hmx n ASP 41 Ca -0.23 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.39 3hmx n ASP 41 Cb 0.53 0.00 0.12 0.00 -0.02 0.00 0.00 41.12 41.74 3hmx n ASP 41 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hmx n GLN 42 N 14.00 2.17 -2.27 -1.24 -0.00 -1.26 -4.95 117.38 123.84 3hmx n GLN 42 Ca 0.00 -1.77 -0.36 0.00 -0.00 0.00 0.00 57.00 54.87 3hmx n GLN 42 Cb 0.00 -1.46 -0.00 0.00 -0.00 0.00 0.00 30.24 28.77 3hmx n GLN 42 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 3hmx s SER 43 N -2.05 5.96 0.00 2.61 0.15 -0.97 -4.95 113.70 114.45 3hmx s SER 43 Ca 0.28 2.24 0.24 0.00 0.70 0.00 0.00 55.95 59.40 3hmx s SER 43 Cb 0.20 -2.59 0.22 0.00 -1.71 0.00 0.00 66.02 62.14 3hmx s SER 43 CO 0.33 -1.06 1.23 -1.20 1.20 0.00 0.00 173.24 173.75 3hmx n SER 44 N -0.88 1.77 -4.68 5.45 7.64 -1.26 -4.27 113.62 117.38 3hmx n SER 44 Ca 0.09 -1.36 -0.42 0.00 1.01 0.00 0.00 58.87 58.19 3hmx n SER 44 Cb 0.50 0.37 -0.03 0.00 -1.01 0.00 0.00 64.21 64.04 3hmx n SER 44 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3hmx s GLU 45 N -2.47 4.34 0.20 1.43 2.02 -1.26 -4.98 118.70 117.98 3hmx s GLU 45 Ca 0.21 1.62 -0.33 0.00 0.02 0.00 0.00 54.97 56.49 3hmx s GLU 45 Cb 0.18 -3.59 -0.13 0.00 0.10 0.00 0.00 34.13 30.69 3hmx s GLU 45 CO 0.55 -0.48 1.58 0.28 0.02 0.00 0.00 175.26 177.21 3hmx n VAL 46 N 4.76 0.29 -0.03 2.63 0.31 -1.26 -4.54 118.33 120.49 3hmx n VAL 46 Ca 0.11 -0.07 -0.01 0.00 -0.01 0.00 0.00 64.34 64.36 3hmx n VAL 46 Cb 0.46 -1.67 -0.14 0.00 -0.91 0.00 0.00 33.84 31.58 3hmx n VAL 46 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3hmx n LEU 47 N 3.16 0.25 0.00 7.52 4.77 -0.73 -5.00 117.00 126.98 3hmx n LEU 47 Ca 0.15 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 3hmx n LEU 47 Cb 0.31 0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 3hmx n LEU 47 CO 0.63 0.25 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 3hmx n GLY 48 N 1.50 -1.94 3.23 -0.72 0.00 -1.26 -5.00 105.19 101.00 3hmx n GLY 48 Ca -0.17 -1.15 -0.13 0.00 0.00 0.00 0.00 46.02 44.56 3hmx n GLY 48 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hmx s SER 49 N -0.54 1.10 0.00 1.61 0.01 -1.26 -1.78 113.70 112.84 3hmx s SER 49 Ca 0.00 -1.17 0.00 0.00 1.31 0.00 0.00 55.95 56.09 3hmx s SER 49 Cb 0.00 0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.37 3hmx s SER 49 CO 0.00 -0.59 0.00 0.61 0.41 0.00 0.00 173.24 173.67 3hmx n GLY 50 N -0.22 2.77 0.32 3.44 0.00 -1.22 -4.71 105.19 105.56 3hmx n GLY 50 Ca -0.07 -1.75 0.19 0.00 0.00 0.00 0.00 46.02 44.39 3hmx n GLY 50 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3hmx h LYS 51 N 0.00 0.00 -6.39 1.61 3.64 -1.84 -3.40 116.57 110.19 3hmx h LYS 51 Ca 0.00 0.00 -0.69 0.00 -1.27 0.00 0.00 60.65 58.69 3hmx h LYS 51 Cb 0.00 0.00 -0.30 0.00 -0.41 0.00 0.00 32.23 31.52 3hmx h LYS 51 CO 0.00 0.00 -0.89 -0.08 -2.27 0.00 0.00 179.45 176.21 3hmx s THR 52 N -4.05 2.04 -0.23 1.00 -1.32 -1.26 -0.94 115.64 110.88 3hmx s THR 52 Ca -0.04 -1.09 0.01 0.00 -1.21 0.00 0.00 61.69 59.36 3hmx s THR 52 Cb 0.11 -1.70 0.06 0.00 -1.51 0.00 0.00 72.50 69.45 3hmx s THR 52 CO 0.34 0.57 -0.06 -0.22 -2.21 0.00 0.00 174.62 173.04 3hmx s LEU 53 N -0.45 2.49 -0.08 9.08 2.96 0.12 -4.81 118.68 128.00 3hmx s LEU 53 Ca 0.05 -1.11 -0.22 0.00 -0.22 0.00 0.00 54.13 52.63 3hmx s LEU 53 Cb -0.11 -1.18 -0.04 0.00 0.50 0.00 0.00 46.19 45.36 3hmx s LEU 53 CO 0.01 -0.22 0.63 -0.89 -1.32 0.00 0.00 176.35 174.56 3hmx s THR 54 N 1.40 5.07 0.27 3.68 2.01 -1.26 -0.25 115.64 126.56 3hmx s THR 54 Ca -0.05 1.30 0.03 0.00 0.31 0.00 0.00 61.69 63.27 3hmx s THR 54 Cb -0.18 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.32 3hmx s THR 54 CO -0.06 0.28 0.18 0.27 -0.69 0.00 0.00 174.62 174.60 3hmx s ILE 55 N 0.68 0.10 -0.04 1.82 -4.36 0.06 -5.00 121.20 114.46 3hmx s ILE 55 Ca 0.34 -2.00 0.05 0.00 -0.26 0.00 0.00 60.65 58.78 3hmx s ILE 55 Cb -0.17 -2.51 -0.02 0.00 1.25 0.00 0.00 42.46 41.01 3hmx s ILE 55 CO 0.16 0.00 -0.17 -1.58 0.24 0.00 0.00 174.94 173.59 3hmx s GLN 56 N -3.86 2.41 -0.29 0.37 0.74 -1.26 -1.48 119.66 116.29 3hmx s GLN 56 Ca 0.39 -0.75 0.02 0.00 0.05 0.00 0.00 55.36 55.06 3hmx s GLN 56 Cb 0.05 -2.30 0.06 0.00 1.10 0.00 0.00 33.01 31.92 3hmx s GLN 56 CO 0.18 0.61 -0.05 0.08 -0.55 0.00 0.00 175.29 175.56 3hmx s VAL 57 N -0.72 2.47 0.00 1.34 1.01 -0.03 -4.91 120.40 119.56 3hmx s VAL 57 Ca 0.11 -1.67 0.00 0.00 0.00 0.00 0.00 61.98 60.42 3hmx s VAL 57 Cb -0.10 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.78 3hmx s VAL 57 CO 0.00 -0.15 0.00 1.17 0.00 0.00 0.00 175.10 176.13 3hmx n LYS 58 N 4.47 2.61 -4.25 2.72 3.00 -1.26 -1.85 118.16 123.60 3hmx n LYS 58 Ca -0.11 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.06 3hmx n LYS 58 Cb 0.42 -0.87 -0.10 0.00 0.00 0.00 0.00 35.03 34.48 3hmx n LYS 58 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 3hmx s GLU 59 N -1.74 1.15 0.32 1.64 0.41 -1.26 -5.00 118.70 114.22 3hmx s GLU 59 Ca 0.00 -1.56 0.19 0.00 -0.41 0.00 0.00 54.97 53.19 3hmx s GLU 59 Cb 0.00 -0.29 1.05 0.00 -1.78 0.00 0.00 34.13 33.11 3hmx s GLU 59 CO 0.00 -0.14 1.56 1.19 -0.49 0.00 0.00 175.26 177.38 3hmx n PHE 60 N -0.27 0.65 0.43 1.61 0.99 -1.26 -0.20 117.46 119.41 3hmx n PHE 60 Ca -0.06 0.34 0.12 0.00 -0.00 0.00 0.00 57.45 57.86 3hmx n PHE 60 Cb 0.63 -1.00 0.48 0.00 -1.00 0.00 0.00 39.48 38.60 3hmx n PHE 60 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3hmx n GLY 61 N -1.29 -1.36 0.42 1.37 0.00 -1.26 -2.50 105.19 100.57 3hmx n GLY 61 Ca -0.01 0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.19 3hmx n GLY 61 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3hmx n ASP 62 N -2.27 1.82 -4.13 1.61 8.00 0.72 -4.97 116.55 117.32 3hmx n ASP 62 Ca 0.03 -1.39 -0.19 0.00 0.71 0.00 0.00 54.79 53.94 3hmx n ASP 62 Cb 0.27 0.48 0.10 0.00 -0.02 0.00 0.00 41.12 41.95 3hmx n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hmx n ALA 63 N -0.23 0.16 0.00 2.24 0.00 -1.04 -4.98 120.51 116.65 3hmx n ALA 63 Ca 0.09 -1.64 0.00 0.00 0.00 0.00 0.00 53.44 51.89 3hmx n ALA 63 Cb 0.44 0.27 0.00 0.00 0.00 0.00 0.00 19.45 20.16 3hmx n ALA 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hmx n GLY 64 N -1.42 -1.34 3.46 0.00 0.00 -1.08 -4.91 105.19 99.90 3hmx n GLY 64 Ca 0.14 -2.10 -0.41 0.00 0.00 0.00 0.00 46.02 43.65 3hmx n GLY 64 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hmx s GLN 65 N 0.00 3.19 0.00 1.61 -2.07 -1.26 -1.71 119.66 119.42 3hmx s GLN 65 Ca 0.00 -0.85 -0.28 0.00 -1.82 0.00 0.00 55.36 52.42 3hmx s GLN 65 Cb 0.00 -3.79 -0.04 0.00 -1.09 0.00 0.00 33.01 28.09 3hmx s GLN 65 CO 0.00 -0.57 0.88 0.71 -1.32 0.00 0.00 175.29 174.99 3hmx s TYR 66 N 1.66 3.67 -0.10 9.60 1.51 0.07 -0.82 117.35 132.94 3hmx s TYR 66 Ca 0.05 1.57 0.02 0.00 -1.01 0.00 0.00 57.07 57.70 3hmx s TYR 66 Cb -0.18 -2.99 0.01 0.00 -0.11 0.00 0.00 41.96 38.69 3hmx s TYR 66 CO 0.09 0.08 -0.16 0.99 -1.11 0.00 0.00 175.55 175.44 3hmx s THR 67 N 0.70 1.50 0.01 -0.71 2.01 -0.87 -0.22 115.64 118.06 3hmx s THR 67 Ca 0.46 -0.66 -0.13 0.00 0.31 0.00 0.00 61.69 61.67 3hmx s THR 67 Cb -0.20 -1.35 -0.06 0.00 0.01 0.00 0.00 72.50 70.90 3hmx s THR 67 CO 0.25 0.44 0.38 0.00 -0.69 0.00 0.00 174.62 175.00 3hmx s HIS 69 N -1.17 2.20 -0.30 0.00 3.76 0.73 -0.98 115.29 119.53 3hmx s HIS 69 Ca 0.26 -0.84 -0.12 0.00 -0.15 0.00 0.00 55.06 54.21 3hmx s HIS 69 Cb -0.15 -1.60 0.18 0.00 1.11 0.00 0.00 32.58 32.11 3hmx s HIS 69 CO 0.14 0.26 0.98 0.21 -0.85 0.00 0.00 174.74 175.48 3hmx s LYS 70 N -3.78 0.25 0.00 1.40 2.20 -1.07 -2.73 119.74 116.00 3hmx s LYS 70 Ca 0.27 0.47 0.00 0.00 -0.36 0.00 0.00 55.97 56.35 3hmx s LYS 70 Cb 0.07 0.26 0.00 0.00 -1.51 0.00 0.00 37.83 36.66 3hmx s LYS 70 CO 0.14 -0.25 0.00 0.41 -0.36 0.00 0.00 175.35 175.29 3hmx n GLY 71 N 5.39 0.40 0.50 5.54 0.00 -1.26 -3.99 105.19 111.78 3hmx n GLY 71 Ca -0.06 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.91 3hmx n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hmx n GLY 72 N -2.73 2.82 3.78 -0.02 0.00 -1.26 -5.02 105.19 102.76 3hmx n GLY 72 Ca 0.00 -0.73 -0.37 0.00 0.00 0.00 0.00 46.02 44.93 3hmx n GLY 72 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hmx s GLU 73 N 0.00 4.38 0.51 1.61 2.02 -1.26 -5.02 118.70 120.94 3hmx s GLU 73 Ca 0.00 1.41 -0.22 0.00 0.02 0.00 0.00 54.97 56.18 3hmx s GLU 73 Cb 0.00 -2.66 -0.06 0.00 0.10 0.00 0.00 34.13 31.51 3hmx s GLU 73 CO 0.00 0.07 1.24 0.08 0.02 0.00 0.00 175.26 176.67 3hmx s VAL 74 N -1.66 2.68 -0.10 2.63 1.01 -1.26 -2.61 120.40 121.10 3hmx s VAL 74 Ca 0.54 0.50 -0.12 0.00 0.00 0.00 0.00 61.98 62.90 3hmx s VAL 74 Cb -0.20 -3.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 3hmx s VAL 74 CO 0.25 -0.02 -0.24 -0.11 0.00 0.00 0.00 175.10 174.98 3hmx n LEU 75 N -0.84 1.65 0.00 3.92 7.94 -0.15 -4.87 117.00 124.64 3hmx n LEU 75 Ca 0.09 0.27 -0.01 0.00 -1.11 0.00 0.00 56.01 55.25 3hmx n LEU 75 Cb 0.47 -0.62 0.00 0.00 0.53 0.00 0.00 43.42 43.81 3hmx n LEU 75 CO 0.49 -0.42 0.07 -1.54 -1.11 0.00 0.00 177.39 174.88 3hmx n SER 76 N -4.13 -0.31 -3.79 1.96 3.41 -1.20 -4.97 113.62 104.59 3hmx n SER 76 Ca -0.10 -1.24 -0.10 0.00 -0.26 0.00 0.00 58.87 57.18 3hmx n SER 76 Cb 0.36 0.52 -0.05 0.00 -0.26 0.00 0.00 64.21 64.77 3hmx n SER 76 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 3hmx s HIS 77 N -7.46 0.05 -0.16 7.33 -3.43 -1.26 -2.52 115.29 107.83 3hmx s HIS 77 Ca 0.03 -0.41 -0.05 0.00 -0.80 0.00 0.00 55.06 53.83 3hmx s HIS 77 Cb -0.01 0.15 0.06 0.00 -1.43 0.00 0.00 32.58 31.36 3hmx s HIS 77 CO 0.02 -0.74 0.08 -1.12 -2.00 0.00 0.00 174.74 170.98 3hmx s SER 78 N -2.88 2.30 0.31 7.38 0.01 0.70 -4.85 113.70 116.67 3hmx s SER 78 Ca 0.09 -0.57 -0.18 0.00 1.31 0.00 0.00 55.95 56.60 3hmx s SER 78 Cb 0.02 -0.27 -0.09 0.00 0.21 0.00 0.00 66.02 65.89 3hmx s SER 78 CO -0.06 -0.34 0.78 -0.22 0.41 0.00 0.00 173.24 173.82 3hmx s LEU 79 N 2.11 4.13 -0.05 2.44 2.96 -0.94 -0.75 118.68 128.59 3hmx s LEU 79 Ca 0.02 1.42 0.03 0.00 -0.22 0.00 0.00 54.13 55.38 3hmx s LEU 79 Cb -0.16 -4.02 0.01 0.00 0.50 0.00 0.00 46.19 42.51 3hmx s LEU 79 CO -0.08 -0.16 -0.11 -0.76 -1.32 0.00 0.00 176.35 173.91 3hmx s LEU 80 N -2.69 1.72 0.21 -0.68 1.43 -0.69 -1.83 118.68 116.14 3hmx s LEU 80 Ca 0.52 -0.26 0.11 0.00 -1.03 0.00 0.00 54.13 53.48 3hmx s LEU 80 Cb -0.12 -0.73 -0.04 0.00 0.03 0.00 0.00 46.19 45.33 3hmx s LEU 80 CO 0.18 0.06 -0.19 -0.76 0.23 0.00 0.00 176.35 175.87 3hmx s LEU 81 N 0.40 2.62 -0.15 1.79 1.43 -0.00 -2.63 118.68 122.13 3hmx s LEU 81 Ca -0.08 -0.81 -0.04 0.00 -1.03 0.00 0.00 54.13 52.16 3hmx s LEU 81 Cb -0.12 -1.30 -0.03 0.00 0.03 0.00 0.00 46.19 44.77 3hmx s LEU 81 CO 0.02 0.10 -0.02 -0.76 0.23 0.00 0.00 176.35 175.92 3hmx s LEU 82 N -2.88 3.36 -0.29 1.79 1.43 -0.65 -1.41 118.68 120.02 3hmx s LEU 82 Ca 0.24 -0.07 -0.09 0.00 -1.03 0.00 0.00 54.13 53.17 3hmx s LEU 82 Cb -0.08 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 3hmx s LEU 82 CO 0.12 0.19 0.14 -2.28 0.23 0.00 0.00 176.35 174.75 3hmx s HIS 83 N 0.25 3.16 -0.25 0.29 2.46 -0.48 -1.29 115.29 119.42 3hmx s HIS 83 Ca -0.01 -0.48 -0.13 0.00 0.47 0.00 0.00 55.06 54.90 3hmx s HIS 83 Cb -0.14 -2.33 -0.04 0.00 -0.13 0.00 0.00 32.58 29.94 3hmx s HIS 83 CO 0.02 -0.41 0.27 0.21 -2.47 0.00 0.00 174.74 172.37 3hmx s LYS 84 N 1.62 4.04 -0.48 2.88 2.20 -1.26 -1.92 119.74 126.82 3hmx s LYS 84 Ca 0.05 -0.11 -0.07 0.00 -0.36 0.00 0.00 55.97 55.49 3hmx s LYS 84 Cb -0.17 -3.61 0.13 0.00 -1.51 0.00 0.00 37.83 32.67 3hmx s LYS 84 CO 0.06 -0.13 0.33 0.21 -0.36 0.00 0.00 175.35 175.46 3hmx s LYS 85 N 1.61 2.38 0.11 4.03 2.20 -0.91 -0.74 119.74 128.42 3hmx s LYS 85 Ca 0.12 -1.91 -0.18 0.00 -0.36 0.00 0.00 55.97 53.64 3hmx s LYS 85 Cb -0.15 -3.81 -0.06 0.00 -1.51 0.00 0.00 37.83 32.30 3hmx s LYS 85 CO 0.09 -1.16 1.64 1.49 -0.36 0.00 0.00 175.35 177.05 3hmx h GLU 86 N 8.12 0.42 -0.10 4.03 4.22 -1.23 -2.43 114.58 127.61 3hmx h GLU 86 Ca -0.15 -0.08 -0.04 0.00 0.08 0.00 0.00 59.36 59.18 3hmx h GLU 86 Cb 1.05 -0.07 -0.14 0.00 0.50 0.00 0.00 28.75 30.09 3hmx h GLU 86 CO 0.79 0.45 -0.10 -0.40 -2.18 0.00 0.00 179.01 177.56 3hmx n ASP 87 N -4.75 -1.47 0.00 1.04 3.85 -1.26 -3.93 116.55 110.04 3hmx n ASP 87 Ca -0.02 -1.46 0.00 0.00 -0.71 0.00 0.00 54.79 52.59 3hmx n ASP 87 Cb 0.14 0.78 0.00 0.00 -1.35 0.00 0.00 41.12 40.69 3hmx n ASP 87 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3hmx n GLY 88 N 2.05 2.31 3.86 6.12 0.00 -1.26 -4.99 105.19 113.27 3hmx n GLY 88 Ca 0.07 -0.44 -0.33 0.00 0.00 0.00 0.00 46.02 45.32 3hmx n GLY 88 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3hmx s ILE 89 N 0.00 4.78 0.52 -0.61 -4.36 -1.26 -5.06 121.20 115.22 3hmx s ILE 89 Ca 0.00 0.78 -0.05 0.00 -0.26 0.00 0.00 60.65 61.12 3hmx s ILE 89 Cb 0.00 -3.64 -0.02 0.00 1.25 0.00 0.00 42.46 40.06 3hmx s ILE 89 CO 0.00 -0.09 0.83 0.26 0.24 0.00 0.00 174.94 176.18 3hmx s TRP 90 N -1.86 3.43 0.36 1.37 0.52 -1.26 -0.72 118.94 120.79 3hmx s TRP 90 Ca 0.50 0.73 -0.26 0.00 0.02 0.00 0.00 56.10 57.09 3hmx s TRP 90 Cb -0.11 -2.48 -0.09 0.00 -1.15 0.00 0.00 33.47 29.64 3hmx s TRP 90 CO 0.19 -0.50 1.10 -1.54 0.02 0.00 0.00 176.95 176.22 3hmx s SER 91 N -4.19 6.84 -0.39 2.95 1.04 0.08 -4.80 113.70 115.22 3hmx s SER 91 Ca 0.50 2.19 0.11 0.00 0.48 0.00 0.00 55.95 59.23 3hmx s SER 91 Cb -0.10 -2.61 0.33 0.00 0.10 0.00 0.00 66.02 63.75 3hmx s SER 91 CO 0.45 -0.44 0.72 0.35 0.98 0.00 0.00 173.24 175.30 3hmx n THR 92 N 0.34 0.09 0.04 2.02 -2.24 -1.26 -4.82 114.28 108.44 3hmx n THR 92 Ca 0.03 -4.61 -0.20 0.00 -2.27 0.00 0.00 64.05 56.99 3hmx n THR 92 Cb 0.47 -0.60 -0.14 0.00 -2.10 0.00 0.00 70.33 67.96 3hmx n THR 92 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3hmx h ASP 93 N 3.14 0.47 0.00 3.42 3.32 -1.99 -3.41 116.42 121.37 3hmx h ASP 93 Ca 0.10 -0.81 -0.13 0.00 0.02 0.00 0.00 57.03 56.21 3hmx h ASP 93 Cb 0.91 -0.15 0.01 0.00 0.22 0.00 0.00 39.33 40.32 3hmx h ASP 93 CO 0.53 1.70 -0.53 0.16 -1.72 0.00 0.00 179.24 179.38 3hmx h ILE 94 N 0.08 1.46 -3.33 0.35 3.07 -1.96 -3.44 117.51 113.74 3hmx h ILE 94 Ca -0.35 -2.07 -0.56 0.00 1.55 0.00 0.00 64.86 63.43 3hmx h ILE 94 Cb 2.06 2.66 -0.05 0.00 -0.27 0.00 0.00 36.82 41.22 3hmx h ILE 94 CO 0.14 0.59 0.02 -0.76 -1.05 0.00 0.00 178.15 177.09 3hmx s LEU 95 N -8.36 4.44 0.30 0.16 1.43 -1.26 -4.16 118.68 111.24 3hmx s LEU 95 Ca -0.14 1.24 -0.27 0.00 -1.03 0.00 0.00 54.13 53.93 3hmx s LEU 95 Cb 0.03 -2.99 -0.10 0.00 0.03 0.00 0.00 46.19 43.16 3hmx s LEU 95 CO 0.80 0.12 0.95 -0.75 0.23 0.00 0.00 176.35 177.70 3hmx s LYS 96 N -0.33 4.65 -0.95 1.70 2.20 0.85 -4.98 119.74 122.88 3hmx s LYS 96 Ca 0.32 1.38 -0.22 0.00 -0.36 0.00 0.00 55.97 57.09 3hmx s LYS 96 Cb -0.19 -2.93 0.08 0.00 -1.51 0.00 0.00 37.83 33.28 3hmx s LYS 96 CO 0.19 0.34 1.30 0.34 -0.36 0.00 0.00 175.35 177.15 3hmx s ASP 97 N -1.49 6.51 -1.20 1.43 2.15 -1.26 -4.57 116.67 118.24 3hmx s ASP 97 Ca 0.48 -1.58 -0.21 0.00 0.43 0.00 0.00 52.55 51.67 3hmx s ASP 97 Cb -0.21 -2.50 -0.01 0.00 -0.30 0.00 0.00 42.92 39.90 3hmx s ASP 97 CO 0.26 -1.37 1.83 0.00 -0.17 0.00 0.00 175.17 175.72 3hmx s GLN 98 N 4.16 3.16 -0.69 4.34 -2.07 -1.17 -4.85 119.66 122.54 3hmx s GLN 98 Ca 0.39 -1.43 -0.10 0.00 -1.82 0.00 0.00 55.36 52.40 3hmx s GLN 98 Cb -0.03 -5.36 -0.09 0.00 -1.09 0.00 0.00 33.01 26.45 3hmx s GLN 98 CO -0.07 -3.14 1.86 1.63 -1.32 0.00 0.00 175.29 174.25 3hmx n LYS 99 N 8.41 1.51 -0.06 9.60 4.01 -1.26 -4.42 118.16 135.95 3hmx n LYS 99 Ca 0.45 -1.38 -0.05 0.00 -0.51 0.00 0.00 58.31 56.83 3hmx n LYS 99 Cb 0.47 -2.49 -0.02 0.00 -0.51 0.00 0.00 35.03 32.48 3hmx n LYS 99 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 3hmx n GLU 100 N 5.19 0.38 0.00 1.97 -0.58 -1.26 -4.88 120.64 121.46 3hmx n GLU 100 Ca 0.39 0.38 0.00 0.00 -0.42 0.00 0.00 57.16 57.51 3hmx n GLU 100 Cb 0.19 -1.42 0.00 0.00 -0.57 0.00 0.00 31.44 29.64 3hmx n GLU 100 CO 0.00 0.00 0.00 -2.30 -0.48 0.00 0.00 177.13 174.35 3hmx n PRO 101 N -4.11 0.00 0.00 3.49 -0.02 -1.26 -4.94 135.00 128.16 3hmx n PRO 101 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 3hmx n PRO 101 Cb 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.75 3hmx n PRO 101 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 3hmx n LYS 102 N 0.00 0.00 -3.35 -0.52 -0.00 -1.26 -5.11 118.16 107.92 3hmx n LYS 102 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.16 3hmx n LYS 102 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 35.03 34.99 3hmx n LYS 102 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.40 175.69 3hmx n ASN 103 N 0.00 1.79 -4.32 -5.58 5.15 -1.26 -4.77 115.26 106.27 3hmx n ASN 103 Ca 0.00 -2.18 -0.34 0.00 -0.60 0.00 0.00 54.58 51.47 3hmx n ASN 103 Cb 0.00 0.40 -0.09 0.00 -0.53 0.00 0.00 39.78 39.56 3hmx n ASN 103 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3hmx n LYS 104 N -0.57 -0.87 -3.37 1.20 4.76 -1.26 -4.85 118.16 113.20 3hmx n LYS 104 Ca -0.07 0.10 -0.45 0.00 -2.87 0.00 0.00 58.31 55.02 3hmx n LYS 104 Cb 0.34 -3.81 -0.02 0.00 -1.84 0.00 0.00 35.03 29.69 3hmx n LYS 104 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 3hmx s THR 105 N -3.97 5.57 -0.01 -0.18 2.01 -1.26 -4.88 115.64 112.90 3hmx s THR 105 Ca 0.26 -2.85 -0.12 0.00 0.31 0.00 0.00 61.69 59.28 3hmx s THR 105 Cb -0.15 -4.41 -0.32 0.00 0.01 0.00 0.00 72.50 67.62 3hmx s THR 105 CO 0.98 -1.07 0.81 -0.26 -0.69 0.00 0.00 174.62 174.38 3hmx h PHE 106 N 7.32 0.79 -3.58 4.92 0.04 -1.88 -3.08 116.94 121.48 3hmx h PHE 106 Ca 0.12 -0.58 -0.68 0.00 2.80 0.00 0.00 57.97 59.63 3hmx h PHE 106 Cb 0.98 -0.03 -0.32 0.00 2.20 0.00 0.00 35.95 38.77 3hmx h PHE 106 CO 0.92 1.61 -0.88 -0.48 -0.60 0.00 0.00 178.31 178.88 3hmx s LEU 107 N -7.38 2.08 0.27 1.54 2.34 -1.26 -4.31 118.68 111.96 3hmx s LEU 107 Ca -0.13 -0.54 0.11 0.00 0.06 0.00 0.00 54.13 53.63 3hmx s LEU 107 Cb 0.05 -1.39 -0.05 0.00 -0.56 0.00 0.00 46.19 44.24 3hmx s LEU 107 CO 0.89 0.19 -0.11 -0.13 -1.06 0.00 0.00 176.35 176.13 3hmx s ARG 108 N 0.16 1.97 0.02 1.48 1.81 -1.09 -4.91 118.95 118.39 3hmx s ARG 108 Ca -0.14 -1.58 0.00 0.00 -1.72 0.00 0.00 55.73 52.29 3hmx s ARG 108 Cb -0.17 -1.97 -0.02 0.00 -0.45 0.00 0.00 34.95 32.35 3hmx s ARG 108 CO 0.07 0.35 -0.03 0.00 -0.68 0.00 0.00 175.30 175.02 3hmx s GLU 110 N -1.21 0.44 -0.01 0.00 2.02 -0.83 -4.86 118.70 114.24 3hmx s GLU 110 Ca -0.13 -0.49 0.01 0.00 0.02 0.00 0.00 54.97 54.38 3hmx s GLU 110 Cb -0.08 0.18 0.01 0.00 0.10 0.00 0.00 34.13 34.33 3hmx s GLU 110 CO -0.01 -0.10 -0.02 0.00 0.02 0.00 0.00 175.26 175.15 3hmx s ALA 111 N -1.51 0.30 -2.15 5.21 0.00 0.96 -1.14 121.76 123.43 3hmx s ALA 111 Ca -0.14 -0.04 0.18 0.00 0.00 0.00 0.00 51.96 51.95 3hmx s ALA 111 Cb -0.08 -0.16 0.51 0.00 0.00 0.00 0.00 23.12 23.40 3hmx s ALA 111 CO 0.00 0.02 1.42 0.36 0.00 0.00 0.00 175.76 177.56 3hmx n LYS 112 N 3.38 2.12 -1.78 0.00 2.85 -1.24 0.03 118.16 123.52 3hmx n LYS 112 Ca -0.17 -1.73 0.00 0.00 -1.05 0.00 0.00 58.31 55.36 3hmx n LYS 112 Cb 0.56 -1.41 0.00 0.00 -0.65 0.00 0.00 35.03 33.53 3hmx n LYS 112 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 3hmx n ASN 113 N 0.91 0.00 -2.05 -5.58 0.23 -1.26 -4.35 115.26 103.16 3hmx n ASN 113 Ca 0.17 -0.91 -0.08 0.00 -0.53 0.00 0.00 54.58 53.23 3hmx n ASN 113 Cb 0.43 0.00 0.30 0.00 -2.08 0.00 0.00 39.78 38.43 3hmx n ASN 113 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 3hmx n TYR 114 N 0.00 2.54 0.07 -2.53 4.02 -1.26 -4.54 117.16 115.47 3hmx n TYR 114 Ca 0.00 -1.26 -0.17 0.00 -0.01 0.00 0.00 57.90 56.46 3hmx n TYR 114 Cb 0.00 -0.72 -0.09 0.00 -0.02 0.00 0.00 39.34 38.51 3hmx n TYR 114 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3hmx h SER 115 N 2.54 0.67 0.00 7.72 4.64 -1.95 -3.48 113.55 123.69 3hmx h SER 115 Ca 0.30 -0.58 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 3hmx h SER 115 Cb 2.40 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 64.28 3hmx h SER 115 CO 0.78 1.39 0.00 0.61 -0.87 0.00 0.00 176.83 178.74 3hmx n GLY 116 N 1.15 1.85 3.70 -0.77 0.00 -1.26 -4.87 105.19 105.00 3hmx n GLY 116 Ca -0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 3hmx n GLY 116 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hmx s ARG 117 N 0.00 4.38 0.13 1.61 0.52 -1.26 -1.90 118.95 122.43 3hmx s ARG 117 Ca 0.00 1.72 -0.03 0.00 -0.52 0.00 0.00 55.73 56.90 3hmx s ARG 117 Cb 0.00 -3.49 -0.03 0.00 0.52 0.00 0.00 34.95 31.95 3hmx s ARG 117 CO 0.00 -0.39 0.11 -0.59 0.02 0.00 0.00 175.30 174.45 3hmx s PHE 118 N 1.85 0.73 -0.09 -0.53 -0.71 -0.31 -4.45 117.98 114.46 3hmx s PHE 118 Ca 0.57 -1.11 0.01 0.00 -1.04 0.00 0.00 56.93 55.37 3hmx s PHE 118 Cb -0.27 -0.37 0.02 0.00 -1.21 0.00 0.00 43.02 41.19 3hmx s PHE 118 CO 0.25 -0.56 -0.10 0.99 -1.34 0.00 0.00 175.22 174.46 3hmx s THR 119 N -4.02 1.05 0.19 -4.49 2.01 -0.29 -0.67 115.64 109.41 3hmx s THR 119 Ca 0.21 -0.37 0.04 0.00 0.31 0.00 0.00 61.69 61.89 3hmx s THR 119 Cb 0.06 -1.01 -0.03 0.00 0.01 0.00 0.00 72.50 71.53 3hmx s THR 119 CO 0.01 0.35 0.26 0.00 -0.69 0.00 0.00 174.62 174.55 3hmx s TRP 121 N -1.85 -0.78 0.34 0.00 1.48 -0.46 -0.07 118.94 117.60 3hmx s TRP 121 Ca 0.33 1.64 0.09 0.00 -1.06 0.00 0.00 56.10 57.11 3hmx s TRP 121 Cb -0.10 0.39 -0.06 0.00 -1.16 0.00 0.00 33.47 32.55 3hmx s TRP 121 CO 0.27 -0.40 -0.04 1.67 -4.06 0.00 0.00 176.95 174.39 3hmx s TRP 122 N 1.29 2.47 0.05 1.66 -2.14 -0.11 -2.67 118.94 119.50 3hmx s TRP 122 Ca -0.08 -0.47 0.09 0.00 2.66 0.00 0.00 56.10 58.30 3hmx s TRP 122 Cb -0.06 -1.43 -0.03 0.00 -3.10 0.00 0.00 33.47 28.84 3hmx s TRP 122 CO -0.13 0.53 -0.23 -0.51 -2.66 0.00 0.00 176.95 173.95 3hmx s LEU 123 N -3.66 2.37 -0.18 -4.66 1.02 -1.26 -1.45 118.68 110.85 3hmx s LEU 123 Ca 0.34 -0.54 -0.17 0.00 0.02 0.00 0.00 54.13 53.77 3hmx s LEU 123 Cb 0.01 -1.38 0.05 0.00 0.02 0.00 0.00 46.19 44.89 3hmx s LEU 123 CO 0.18 0.25 0.50 0.28 0.02 0.00 0.00 176.35 177.57 3hmx s THR 124 N -0.88 0.00 -0.49 5.49 -1.32 -0.52 -0.10 115.64 117.82 3hmx s THR 124 Ca 0.13 -0.01 0.24 0.00 -1.21 0.00 0.00 61.69 60.84 3hmx s THR 124 Cb -0.10 -0.70 0.18 0.00 -1.51 0.00 0.00 72.50 70.37 3hmx s THR 124 CO 0.04 -0.01 1.43 0.71 -2.21 0.00 0.00 174.62 174.58 3hmx h THR 125 N 4.32 0.00 -4.17 5.08 1.35 -1.80 -0.56 112.91 117.13 3hmx h THR 125 Ca -0.27 -0.78 -0.50 0.00 -0.55 0.00 0.00 66.41 64.30 3hmx h THR 125 Cb 1.17 1.56 0.09 0.00 -1.73 0.00 0.00 68.15 69.24 3hmx h THR 125 CO 0.20 0.00 0.39 -0.63 -0.25 0.00 0.00 175.52 175.23 3hmx s ILE 126 N -3.22 3.35 0.00 6.82 1.09 -1.26 -4.77 121.20 123.21 3hmx s ILE 126 Ca 0.06 0.69 0.00 0.00 -1.10 0.00 0.00 60.65 60.29 3hmx s ILE 126 Cb 0.09 -3.21 0.00 0.00 -1.06 0.00 0.00 42.46 38.28 3hmx s ILE 126 CO 0.70 -0.34 0.76 -1.54 -0.10 0.00 0.00 174.94 174.42 3hmx n SER 127 N -2.03 0.00 -3.71 3.58 3.41 -1.26 -4.80 113.62 108.81 3hmx n SER 127 Ca 0.10 -1.57 -0.14 0.00 -0.26 0.00 0.00 58.87 57.01 3hmx n SER 127 Cb 0.52 -0.11 -0.08 0.00 -0.26 0.00 0.00 64.21 64.28 3hmx n SER 127 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3hmx s THR 128 N 0.00 0.05 -1.52 6.66 -1.32 -1.26 -4.93 115.64 113.32 3hmx s THR 128 Ca 0.00 -0.44 -0.13 0.00 -1.21 0.00 0.00 61.69 59.91 3hmx s THR 128 Cb 0.00 -0.78 0.08 0.00 -1.51 0.00 0.00 72.50 70.29 3hmx s THR 128 CO 0.00 -0.24 0.96 0.47 -2.21 0.00 0.00 174.62 173.60 3hmx n ASP 129 N 0.97 -4.87 -4.79 8.08 9.92 -1.26 -4.68 116.55 119.92 3hmx n ASP 129 Ca -0.20 -0.74 -0.35 0.00 -0.53 0.00 0.00 54.79 52.97 3hmx n ASP 129 Cb 0.57 -3.89 -0.07 0.00 -0.64 0.00 0.00 41.12 37.09 3hmx n ASP 129 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3hmx s LEU 130 N -7.23 3.98 -0.25 0.64 1.43 -1.26 -1.22 118.68 114.77 3hmx s LEU 130 Ca 0.65 0.27 -0.04 0.00 -1.03 0.00 0.00 54.13 53.98 3hmx s LEU 130 Cb -0.32 -2.04 0.13 0.00 0.03 0.00 0.00 46.19 43.99 3hmx s LEU 130 CO 0.80 0.36 0.47 0.28 0.23 0.00 0.00 176.35 178.48 3hmx s THR 131 N -1.02 -0.74 0.49 5.49 -1.32 -0.85 -5.02 115.64 112.67 3hmx s THR 131 Ca 0.17 0.02 0.07 0.00 -1.21 0.00 0.00 61.69 60.74 3hmx s THR 131 Cb -0.12 -0.83 0.02 0.00 -1.51 0.00 0.00 72.50 70.07 3hmx s THR 131 CO 0.06 -0.03 0.48 -0.36 -2.21 0.00 0.00 174.62 172.57 3hmx s PHE 132 N 2.67 2.10 -0.29 9.09 0.08 -1.26 -1.82 117.98 128.55 3hmx s PHE 132 Ca 0.08 -0.65 -0.15 0.00 0.12 0.00 0.00 56.93 56.33 3hmx s PHE 132 Cb -0.14 -2.11 0.11 0.00 -0.57 0.00 0.00 43.02 40.31 3hmx s PHE 132 CO -0.16 -0.47 0.78 0.45 -0.10 0.00 0.00 175.22 175.72 3hmx s SER 133 N -4.30 -0.84 -0.04 1.36 0.15 -1.02 -4.92 113.70 104.09 3hmx s SER 133 Ca 0.47 1.29 0.06 0.00 0.70 0.00 0.00 55.95 58.47 3hmx s SER 133 Cb -0.04 1.48 -0.02 0.00 -1.71 0.00 0.00 66.02 65.74 3hmx s SER 133 CO 0.28 -0.20 -0.23 -0.69 1.20 0.00 0.00 173.24 173.60 3hmx s VAL 134 N 1.78 2.28 0.05 4.45 1.01 -1.26 -1.24 120.40 127.47 3hmx s VAL 134 Ca -0.09 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 60.89 3hmx s VAL 134 Cb -0.06 -1.83 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 3hmx s VAL 134 CO -0.18 0.58 -0.05 -1.59 0.00 0.00 0.00 175.10 173.86 3hmx s LYS 135 N -0.44 0.57 0.15 2.72 0.00 -0.70 -4.73 119.74 117.32 3hmx s LYS 135 Ca 0.05 -1.00 -0.19 0.00 0.00 0.00 0.00 55.97 54.82 3hmx s LYS 135 Cb -0.12 -0.00 0.05 0.00 0.00 0.00 0.00 37.83 37.76 3hmx s LYS 135 CO 0.01 -0.04 0.51 0.45 0.00 0.00 0.00 175.35 176.28 3hmx s SER 136 N -2.33 -0.38 -0.21 0.03 0.15 -1.26 -1.21 113.70 108.49 3hmx s SER 136 Ca -0.01 -0.21 -0.31 0.00 0.70 0.00 0.00 55.95 56.13 3hmx s SER 136 Cb -0.01 0.55 0.15 0.00 -1.71 0.00 0.00 66.02 65.00 3hmx s SER 136 CO -0.05 -0.94 1.17 -0.94 1.20 0.00 0.00 173.24 173.69 3hmx s SER 137 N -2.79 -0.20 -0.33 5.45 1.04 -1.09 -4.64 113.70 111.13 3hmx s SER 137 Ca 0.03 0.17 -0.10 0.00 0.48 0.00 0.00 55.95 56.53 3hmx s SER 137 Cb 0.00 0.17 0.01 0.00 0.10 0.00 0.00 66.02 66.30 3hmx s SER 137 CO -0.11 -0.21 0.17 -0.60 0.98 0.00 0.00 173.24 173.47 3hmx s ARG 138 N -1.39 3.16 0.24 4.02 3.52 -1.26 -1.63 118.95 125.61 3hmx s ARG 138 Ca 0.05 -0.85 0.00 0.00 -0.13 0.00 0.00 55.73 54.80 3hmx s ARG 138 Cb -0.01 -3.63 0.00 0.00 -1.56 0.00 0.00 34.95 29.75 3hmx s ARG 138 CO -0.04 -0.52 0.00 0.41 -0.81 0.00 0.00 175.30 174.35 3hmx n GLY 139 N 4.99 -2.13 0.06 8.12 0.00 -1.25 -4.17 105.19 110.81 3hmx n GLY 139 Ca -0.13 -1.29 0.10 0.00 0.00 0.00 0.00 46.02 44.69 3hmx n GLY 139 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hmx n SER 140 N -3.29 0.33 -3.37 1.61 3.41 -1.26 -4.75 113.62 106.30 3hmx n SER 140 Ca -0.01 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 3hmx n SER 140 Cb 0.37 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.67 3hmx n SER 140 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3hmx n SER 141 N -1.85 0.00 0.00 4.04 2.88 -1.26 -4.68 113.62 112.75 3hmx n SER 141 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 3hmx n SER 141 Cb 0.23 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.69 3hmx n SER 141 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3hmx n ASP 142 N 0.00 0.00 0.28 -3.46 5.68 -1.26 -4.75 116.55 113.04 3hmx n ASP 142 Ca 0.00 0.00 0.14 0.00 -0.50 0.00 0.00 54.79 54.43 3hmx n ASP 142 Cb 0.00 0.00 0.82 0.00 -1.14 0.00 0.00 41.12 40.80 3hmx n ASP 142 CO 0.00 0.00 0.00 -0.65 -1.33 0.00 0.00 177.20 175.22 3hmx h PRO 143 N 0.00 0.00 0.00 0.11 0.11 -1.91 -3.42 132.00 126.89 3hmx h PRO 143 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3hmx h PRO 143 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3hmx h PRO 143 CO 0.00 0.07 0.00 1.04 -0.21 0.00 0.00 178.00 178.90 3hmx n GLN 144 N -3.64 2.09 0.00 1.05 3.00 -1.26 -4.73 117.38 113.89 3hmx n GLN 144 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.97 3hmx n GLN 144 Cb 0.18 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.42 3hmx n GLN 144 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3hmx n GLY 145 N 5.00 2.16 3.63 1.08 0.00 -1.26 -4.85 105.19 110.94 3hmx n GLY 145 Ca 0.00 -0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 3hmx n GLY 145 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hmx s VAL 146 N 0.00 3.52 0.11 1.61 1.01 -1.25 -3.12 120.40 122.27 3hmx s VAL 146 Ca 0.00 0.58 0.08 0.00 0.00 0.00 0.00 61.98 62.64 3hmx s VAL 146 Cb 0.00 -3.53 -0.04 0.00 0.00 0.00 0.00 36.38 32.82 3hmx s VAL 146 CO 0.00 -0.22 -0.19 0.42 0.00 0.00 0.00 175.10 175.11 3hmx s THR 147 N 5.50 1.64 0.03 3.92 -4.23 -0.81 -4.57 115.64 117.11 3hmx s THR 147 Ca 0.77 -1.61 0.05 0.00 -1.18 0.00 0.00 61.69 59.72 3hmx s THR 147 Cb -0.28 -1.56 -0.02 0.00 1.34 0.00 0.00 72.50 71.98 3hmx s THR 147 CO 0.31 -0.16 -0.14 0.00 -0.54 0.00 0.00 174.62 174.09 3hmx n GLY 149 N 2.10 0.38 3.63 0.00 0.00 -0.58 -4.99 105.19 105.73 3hmx n GLY 149 Ca -0.17 -1.45 -0.35 0.00 0.00 0.00 0.00 46.02 44.06 3hmx n GLY 149 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hmx s ALA 150 N -3.79 3.20 0.24 4.61 0.00 -1.26 -4.70 121.76 120.05 3hmx s ALA 150 Ca 0.00 -0.82 -0.30 0.00 0.00 0.00 0.00 51.96 50.84 3hmx s ALA 150 Cb 0.00 -1.49 -0.10 0.00 0.00 0.00 0.00 23.12 21.53 3hmx s ALA 150 CO 0.00 0.49 1.45 0.00 0.00 0.00 0.00 175.76 177.71 3hmx s ALA 151 N -0.57 3.64 0.16 0.00 0.00 -1.26 -4.72 121.76 119.01 3hmx s ALA 151 Ca 0.09 1.33 0.04 0.00 0.00 0.00 0.00 51.96 53.42 3hmx s ALA 151 Cb -0.12 -3.56 -0.05 0.00 0.00 0.00 0.00 23.12 19.39 3hmx s ALA 151 CO 0.02 -0.74 -0.09 0.95 0.00 0.00 0.00 175.76 175.90 3hmx s THR 152 N 0.15 1.13 0.47 0.00 -4.23 -0.20 -4.95 115.64 108.01 3hmx s THR 152 Ca 0.61 -2.05 -0.22 0.00 -1.18 0.00 0.00 61.69 58.84 3hmx s THR 152 Cb -0.42 -1.92 -0.08 0.00 1.34 0.00 0.00 72.50 71.43 3hmx s THR 152 CO 0.42 -0.69 1.12 -0.22 -0.54 0.00 0.00 174.62 174.71 3hmx s LEU 153 N -3.18 3.97 0.00 4.79 1.98 -1.26 -1.01 118.68 123.96 3hmx s LEU 153 Ca 0.18 2.18 0.00 0.00 -2.89 0.00 0.00 54.13 53.61 3hmx s LEU 153 Cb 0.03 -4.33 0.00 0.00 0.66 0.00 0.00 46.19 42.55 3hmx s LEU 153 CO 0.02 -0.87 0.00 -1.20 -1.89 0.00 0.00 176.35 172.40 3hmx n SER 154 N -0.61 0.00 -3.10 3.68 7.64 0.72 -4.80 113.62 117.15 3hmx n SER 154 Ca 0.08 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.84 3hmx n SER 154 Cb 0.49 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.68 3hmx n SER 154 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hmx s ALA 155 N -0.35 0.11 -0.46 -0.43 0.00 -1.16 -4.96 121.76 114.51 3hmx s ALA 155 Ca 0.00 -1.18 0.05 0.00 0.00 0.00 0.00 51.96 50.83 3hmx s ALA 155 Cb 0.00 0.95 0.27 0.00 0.00 0.00 0.00 23.12 24.33 3hmx s ALA 155 CO 0.00 -0.88 1.00 -1.91 0.00 0.00 0.00 175.76 173.97 3hmx n GLU 156 N -0.55 0.78 -2.67 0.00 2.13 -1.26 -3.45 120.64 115.62 3hmx n GLU 156 Ca -0.03 -1.68 -0.43 0.00 0.66 0.00 0.00 57.16 55.68 3hmx n GLU 156 Cb 0.61 -1.21 -0.00 0.00 0.27 0.00 0.00 31.44 31.10 3hmx n GLU 156 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3hmx s ARG 157 N 0.51 3.98 0.46 5.31 0.52 -1.12 -4.84 118.95 123.77 3hmx s ARG 157 Ca 0.28 -2.07 -0.23 0.00 -0.52 0.00 0.00 55.73 53.20 3hmx s ARG 157 Cb 0.25 -5.41 -0.10 0.00 0.52 0.00 0.00 34.95 30.21 3hmx s ARG 157 CO -0.18 -2.14 0.87 0.28 0.02 0.00 0.00 175.30 174.15 3hmx n VAL 158 N 6.01 2.48 -4.18 3.52 0.31 -1.26 -3.91 118.33 121.29 3hmx n VAL 158 Ca 0.45 -0.50 -0.11 0.00 -0.01 0.00 0.00 64.34 64.17 3hmx n VAL 158 Cb 0.46 -0.99 -0.10 0.00 -0.91 0.00 0.00 33.84 32.30 3hmx n VAL 158 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 3hmx s ARG 159 N -2.04 0.92 -0.42 5.55 3.52 -1.18 -4.87 118.95 120.42 3hmx s ARG 159 Ca 0.65 -1.41 -0.37 0.00 -0.13 0.00 0.00 55.73 54.47 3hmx s ARG 159 Cb -0.54 -0.05 -0.16 0.00 -1.56 0.00 0.00 34.95 32.64 3hmx s ARG 159 CO 0.55 -0.13 1.78 0.41 -0.81 0.00 0.00 175.30 177.10 3hmx n GLY 160 N -0.10 -0.12 5.93 8.12 0.00 -1.26 -3.43 105.19 114.33 3hmx n GLY 160 Ca -0.09 0.94 0.00 0.00 0.00 0.00 0.00 46.02 46.87 3hmx n GLY 160 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hmx n ASP 161 N 6.22 0.00 -4.75 1.61 3.85 -1.26 -4.90 116.55 117.33 3hmx n ASP 161 Ca 0.46 0.00 -0.41 0.00 -0.71 0.00 0.00 54.79 54.13 3hmx n ASP 161 Cb -0.03 0.00 -0.04 0.00 -1.35 0.00 0.00 41.12 39.69 3hmx n ASP 161 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3hmx s ASN 162 N -4.00 7.29 0.11 -1.12 4.22 -1.22 -5.03 114.94 115.18 3hmx s ASN 162 Ca 0.00 2.15 -0.20 0.00 -2.14 0.00 0.00 52.86 52.67 3hmx s ASN 162 Cb 0.00 -2.61 -0.07 0.00 1.28 0.00 0.00 41.25 39.85 3hmx s ASN 162 CO 0.00 -0.17 0.62 -0.54 -2.04 0.00 0.00 177.10 174.97 3hmx s LYS 163 N -0.81 4.26 -0.05 3.55 3.01 -1.26 -3.13 119.74 125.31 3hmx s LYS 163 Ca 0.47 0.82 -0.07 0.00 -1.01 0.00 0.00 55.97 56.17 3hmx s LYS 163 Cb -0.30 -3.19 -0.04 0.00 -1.01 0.00 0.00 37.83 33.29 3hmx s LYS 163 CO 0.37 0.59 0.22 -2.00 0.51 0.00 0.00 175.35 175.04 3hmx s GLU 164 N -1.26 3.54 -0.09 1.68 2.12 -1.25 -4.55 118.70 118.90 3hmx s GLU 164 Ca 0.32 -0.07 0.01 0.00 0.36 0.00 0.00 54.97 55.59 3hmx s GLU 164 Cb -0.20 -3.14 0.02 0.00 0.26 0.00 0.00 34.13 31.07 3hmx s GLU 164 CO 0.21 0.71 -0.10 0.71 -0.54 0.00 0.00 175.26 176.24 3hmx s TYR 165 N -1.17 1.46 -0.15 5.30 1.51 -0.22 -2.78 117.35 121.31 3hmx s TYR 165 Ca 0.22 -0.62 -0.05 0.00 -1.01 0.00 0.00 57.07 55.61 3hmx s TYR 165 Cb -0.13 -1.13 -0.03 0.00 -0.11 0.00 0.00 41.96 40.55 3hmx s TYR 165 CO 0.11 -0.38 0.02 -2.00 -1.11 0.00 0.00 175.55 172.19 3hmx s GLU 166 N 1.10 3.63 -0.05 -0.62 2.12 -1.22 -1.43 118.70 122.23 3hmx s GLU 166 Ca -0.06 -0.41 0.05 0.00 0.36 0.00 0.00 54.97 54.91 3hmx s GLU 166 Cb -0.14 -3.01 -0.02 0.00 0.26 0.00 0.00 34.13 31.21 3hmx s GLU 166 CO -0.01 0.38 -0.19 0.71 -0.54 0.00 0.00 175.26 175.60 3hmx s TYR 167 N 0.03 2.56 0.23 5.30 1.51 -0.53 -0.20 117.35 126.24 3hmx s TYR 167 Ca 0.03 -0.36 0.06 0.00 -1.01 0.00 0.00 57.07 55.79 3hmx s TYR 167 Cb -0.13 -1.60 -0.05 0.00 -0.11 0.00 0.00 41.96 40.07 3hmx s TYR 167 CO 0.02 0.03 -0.07 -1.54 -1.11 0.00 0.00 175.55 172.88 3hmx s SER 168 N -0.54 2.29 0.04 2.29 1.04 -0.18 -0.94 113.70 117.70 3hmx s SER 168 Ca 0.07 -1.13 -0.07 0.00 0.48 0.00 0.00 55.95 55.30 3hmx s SER 168 Cb -0.11 -0.08 -0.01 0.00 0.10 0.00 0.00 66.02 65.92 3hmx s SER 168 CO 0.01 -0.35 0.13 0.54 0.98 0.00 0.00 173.24 174.55 3hmx s VAL 169 N -3.17 0.12 -0.01 5.02 0.11 0.90 -1.03 120.40 122.34 3hmx s VAL 169 Ca 0.25 -1.01 0.07 0.00 -2.93 0.00 0.00 61.98 58.36 3hmx s VAL 169 Cb 0.03 -0.90 -0.03 0.00 -1.53 0.00 0.00 36.38 33.95 3hmx s VAL 169 CO 0.08 -0.56 -0.21 -0.70 -3.33 0.00 0.00 175.10 170.38 3hmx s GLU 170 N -2.60 2.18 0.05 1.54 2.12 -1.26 -1.35 118.70 119.39 3hmx s GLU 170 Ca -0.05 -0.89 0.00 0.00 0.36 0.00 0.00 54.97 54.39 3hmx s GLU 170 Cb -0.01 -2.17 -0.03 0.00 0.26 0.00 0.00 34.13 32.18 3hmx s GLU 170 CO -0.04 0.57 -0.05 0.00 -0.54 0.00 0.00 175.26 175.20 3hmx s GLN 172 N -2.88 0.13 0.15 0.00 2.00 -0.83 -1.17 119.66 117.07 3hmx s GLN 172 Ca -0.01 0.19 -0.29 0.00 -2.00 0.00 0.00 55.36 53.26 3hmx s GLN 172 Cb -0.00 -1.21 -0.07 0.00 0.80 0.00 0.00 33.01 32.53 3hmx s GLN 172 CO -0.05 -0.60 0.91 -2.00 -0.50 0.00 0.00 175.29 173.05 3hmx s GLU 173 N 2.27 4.71 -0.36 1.67 2.12 -0.80 -1.93 118.70 126.39 3hmx s GLU 173 Ca 0.05 1.38 0.00 0.00 0.36 0.00 0.00 54.97 56.77 3hmx s GLU 173 Cb -0.15 -3.33 0.14 0.00 0.26 0.00 0.00 34.13 31.05 3hmx s GLU 173 CO -0.10 0.37 0.22 0.34 -0.54 0.00 0.00 175.26 175.54 3hmx s ASP 174 N -0.53 2.92 0.01 -1.70 2.15 -1.18 -4.67 116.67 113.66 3hmx s ASP 174 Ca 0.43 -2.23 -0.27 0.00 0.43 0.00 0.00 52.55 50.90 3hmx s ASP 174 Cb -0.24 -0.41 -0.04 0.00 -0.30 0.00 0.00 42.92 41.93 3hmx s ASP 174 CO 0.29 -0.30 0.86 -0.44 -0.17 0.00 0.00 175.17 175.41 3hmx s SER 175 N 1.01 7.26 0.61 -0.34 0.01 -1.26 -4.18 113.70 116.81 3hmx s SER 175 Ca 0.19 1.51 0.31 0.00 1.31 0.00 0.00 55.95 59.27 3hmx s SER 175 Cb -0.22 -2.51 1.76 0.00 0.21 0.00 0.00 66.02 65.26 3hmx s SER 175 CO 0.00 -0.13 2.12 0.00 0.41 0.00 0.00 173.24 175.64 3hmx h ALA 176 N 6.35 1.65 -2.47 1.44 0.00 -2.00 -3.33 119.26 120.90 3hmx h ALA 176 Ca -0.42 -0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.11 3hmx h ALA 176 Cb 1.21 0.01 -0.36 0.00 0.00 0.00 0.00 17.79 18.65 3hmx h ALA 176 CO 0.74 -0.26 -0.67 0.00 0.00 0.00 0.00 179.25 179.06 3hmx s PRO 178 N 2.28 4.27 0.15 0.00 0.02 -1.25 -5.03 135.00 135.44 3hmx s PRO 178 Ca 0.08 2.32 0.01 0.00 0.02 0.00 0.00 61.00 63.43 3hmx s PRO 178 Cb -0.15 -3.07 -0.04 0.00 0.02 0.00 0.00 34.50 31.26 3hmx s PRO 178 CO -0.24 -0.35 0.30 0.00 -0.33 0.00 0.00 177.00 176.38 3hmx s ALA 179 N -0.65 3.94 -2.04 -1.55 0.00 -1.26 -5.00 121.76 115.20 3hmx s ALA 179 Ca 0.54 -0.94 0.13 0.00 0.00 0.00 0.00 51.96 51.69 3hmx s ALA 179 Cb -0.42 -1.85 0.64 0.00 0.00 0.00 0.00 23.12 21.49 3hmx s ALA 179 CO 0.51 0.56 1.43 0.00 0.00 0.00 0.00 175.76 178.25 3hmx n ALA 180 N -0.44 2.55 -3.64 0.00 0.00 -1.26 -4.82 120.51 112.89 3hmx n ALA 180 Ca -0.06 -0.19 -0.05 0.00 0.00 0.00 0.00 53.44 53.14 3hmx n ALA 180 Cb 0.53 -1.15 -0.07 0.00 0.00 0.00 0.00 19.45 18.77 3hmx n ALA 180 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3hmx s GLU 181 N -1.93 0.26 -0.27 0.00 2.12 -1.26 -5.14 118.70 112.48 3hmx s GLU 181 Ca 0.20 0.34 -0.22 0.00 0.36 0.00 0.00 54.97 55.64 3hmx s GLU 181 Cb 0.10 0.12 -0.01 0.00 0.26 0.00 0.00 34.13 34.59 3hmx s GLU 181 CO 0.15 -0.03 0.71 -1.21 -0.54 0.00 0.00 175.26 174.34 3hmx s GLU 182 N 0.29 4.05 -0.08 4.30 2.02 -1.26 -4.92 118.70 123.10 3hmx s GLU 182 Ca 0.03 0.60 0.20 0.00 0.02 0.00 0.00 54.97 55.82 3hmx s GLU 182 Cb -0.05 -3.68 -0.28 0.00 0.10 0.00 0.00 34.13 30.22 3hmx s GLU 182 CO -0.11 -0.53 0.36 -1.13 0.02 0.00 0.00 175.26 173.87 3hmx n SER 183 N 5.93 0.10 -4.32 -0.19 3.41 -1.26 -4.94 113.62 112.35 3hmx n SER 183 Ca 0.02 0.04 -0.26 0.00 -0.26 0.00 0.00 58.87 58.41 3hmx n SER 183 Cb 0.48 1.40 -0.13 0.00 -0.26 0.00 0.00 64.21 65.70 3hmx n SER 183 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3hmx s LEU 184 N -5.04 2.27 0.37 1.04 1.43 -1.26 -5.13 118.68 112.36 3hmx s LEU 184 Ca -0.08 -0.66 -0.24 0.00 -1.03 0.00 0.00 54.13 52.11 3hmx s LEU 184 Cb 0.10 -1.04 -0.10 0.00 0.03 0.00 0.00 46.19 45.18 3hmx s LEU 184 CO 0.87 0.13 0.98 -2.84 0.23 0.00 0.00 176.35 175.72 3hmx s PRO 185 N -1.75 4.36 0.39 1.29 0.02 -1.26 -4.82 135.00 133.22 3hmx s PRO 185 Ca 0.09 1.35 -0.26 0.00 0.02 0.00 0.00 61.00 62.21 3hmx s PRO 185 Cb -0.10 -2.58 -0.09 0.00 0.02 0.00 0.00 34.50 31.76 3hmx s PRO 185 CO 0.04 0.06 1.15 0.42 -0.33 0.00 0.00 177.00 178.35 3hmx s ILE 186 N -1.75 3.24 -0.08 2.83 1.01 0.25 -3.78 121.20 122.93 3hmx s ILE 186 Ca 0.55 1.05 0.03 0.00 0.00 0.00 0.00 60.65 62.28 3hmx s ILE 186 Cb -0.18 -3.60 0.01 0.00 0.01 0.00 0.00 42.46 38.71 3hmx s ILE 186 CO 0.23 0.10 -0.16 -0.70 0.00 0.00 0.00 174.94 174.42 3hmx s GLU 187 N -2.23 2.14 -0.12 2.79 2.12 -0.64 -0.21 118.70 122.53 3hmx s GLU 187 Ca 0.56 -0.56 -0.02 0.00 0.36 0.00 0.00 54.97 55.31 3hmx s GLU 187 Cb -0.30 -1.73 -0.03 0.00 0.26 0.00 0.00 34.13 32.34 3hmx s GLU 187 CO 0.38 0.04 -0.05 0.08 -0.54 0.00 0.00 175.26 175.17 3hmx s VAL 188 N 0.66 3.84 -0.22 3.70 1.01 0.81 -2.67 120.40 127.53 3hmx s VAL 188 Ca -0.14 -0.40 0.01 0.00 0.00 0.00 0.00 61.98 61.46 3hmx s VAL 188 Cb -0.16 -2.64 0.05 0.00 0.00 0.00 0.00 36.38 33.63 3hmx s VAL 188 CO 0.04 0.54 -0.11 -0.04 0.00 0.00 0.00 175.10 175.53 3hmx s MET 189 N -0.12 2.12 -0.22 2.72 -1.94 -0.35 -1.52 119.30 120.00 3hmx s MET 189 Ca 0.02 -0.99 -0.06 0.00 -1.71 0.00 0.00 55.69 52.96 3hmx s MET 189 Cb -0.13 -2.57 -0.02 0.00 2.01 0.00 0.00 34.83 34.11 3hmx s MET 189 CO 0.03 -0.46 0.02 0.08 -0.01 0.00 0.00 175.02 174.67 3hmx s VAL 190 N 1.31 4.04 -0.32 -6.03 1.01 -0.52 -1.71 120.40 118.18 3hmx s VAL 190 Ca -0.03 -0.27 -0.20 0.00 0.00 0.00 0.00 61.98 61.48 3hmx s VAL 190 Cb -0.17 -2.85 -0.01 0.00 0.00 0.00 0.00 36.38 33.35 3hmx s VAL 190 CO -0.08 0.40 0.60 -1.81 0.00 0.00 0.00 175.10 174.21 3hmx s ASP 191 N 1.20 6.43 -0.22 3.32 1.11 -0.37 -0.19 116.67 127.95 3hmx s ASP 191 Ca 0.03 0.27 -0.06 0.00 0.18 0.00 0.00 52.55 52.97 3hmx s ASP 191 Cb -0.14 -2.31 -0.03 0.00 1.07 0.00 0.00 42.92 41.51 3hmx s ASP 191 CO 0.02 -0.49 0.03 0.00 1.18 0.00 0.00 175.17 175.91 3hmx s ALA 192 N 2.56 3.13 -0.18 5.23 0.00 0.18 -2.44 121.76 130.24 3hmx s ALA 192 Ca 0.23 -1.01 0.01 0.00 0.00 0.00 0.00 51.96 51.19 3hmx s ALA 192 Cb -0.15 -1.91 0.03 0.00 0.00 0.00 0.00 23.12 21.09 3hmx s ALA 192 CO 0.13 -0.23 -0.16 0.08 0.00 0.00 0.00 175.76 175.57 3hmx s VAL 193 N 1.15 1.90 -0.32 0.00 1.01 -0.75 -0.62 120.40 122.76 3hmx s VAL 193 Ca 0.04 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.07 3hmx s VAL 193 Cb -0.14 -1.79 0.08 0.00 0.00 0.00 0.00 36.38 34.52 3hmx s VAL 193 CO 0.02 0.41 0.03 -2.28 0.00 0.00 0.00 175.10 173.28 3hmx s HIS 194 N 1.33 3.48 0.00 5.22 5.04 -0.01 -2.00 115.29 128.34 3hmx s HIS 194 Ca 0.03 -2.42 0.00 0.00 -1.54 0.00 0.00 55.06 51.12 3hmx s HIS 194 Cb -0.14 -2.52 0.00 0.00 0.04 0.00 0.00 32.58 29.96 3hmx s HIS 194 CO -0.11 -0.90 0.00 1.63 -2.34 0.00 0.00 174.74 173.02 3hmx n LYS 195 N 4.46 0.00 0.00 2.88 5.02 -0.36 -1.14 118.16 129.02 3hmx n LYS 195 Ca -0.06 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.30 3hmx n LYS 195 Cb 0.42 0.00 -0.08 0.00 -0.02 0.00 0.00 35.03 35.35 3hmx n LYS 195 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3hmx n LEU 196 N 0.00 0.85 -4.70 -0.35 4.77 -1.26 -4.96 117.00 111.35 3hmx n LEU 196 Ca 0.00 -0.52 -0.41 0.00 -0.03 0.00 0.00 56.01 55.05 3hmx n LEU 196 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 3hmx n LEU 196 CO 0.00 0.20 0.50 -0.75 -1.33 0.00 0.00 177.39 176.01 3hmx s LYS 197 N -2.48 4.40 0.01 3.23 2.20 -0.29 -1.64 119.74 125.17 3hmx s LYS 197 Ca 0.07 0.98 0.02 0.00 -0.36 0.00 0.00 55.97 56.68 3hmx s LYS 197 Cb 0.12 -3.49 -0.04 0.00 -1.51 0.00 0.00 37.83 32.92 3hmx s LYS 197 CO 0.64 -0.08 -0.01 -0.47 -0.36 0.00 0.00 175.35 175.07 3hmx s TYR 198 N 1.26 3.02 0.04 4.03 5.04 -0.41 -0.83 117.35 129.50 3hmx s TYR 198 Ca 0.39 0.04 -0.19 0.00 -2.44 0.00 0.00 57.07 54.87 3hmx s TYR 198 Cb -0.18 -1.64 0.04 0.00 0.35 0.00 0.00 41.96 40.54 3hmx s TYR 198 CO 0.18 0.45 0.43 -1.21 -1.34 0.00 0.00 175.55 174.06 3hmx s GLU 199 N -1.65 0.93 -0.02 4.97 2.02 0.21 -4.40 118.70 120.75 3hmx s GLU 199 Ca 0.20 -0.31 0.01 0.00 0.02 0.00 0.00 54.97 54.89 3hmx s GLU 199 Cb -0.11 0.42 0.01 0.00 0.10 0.00 0.00 34.13 34.55 3hmx s GLU 199 CO 0.11 -0.32 -0.04 0.54 0.02 0.00 0.00 175.26 175.57 3hmx s ASN 200 N -1.94 0.70 0.31 -0.19 2.20 -1.26 0.52 114.94 115.28 3hmx s ASN 200 Ca -0.06 -0.09 0.08 0.00 -0.94 0.00 0.00 52.86 51.84 3hmx s ASN 200 Cb -0.01 -0.24 -0.03 0.00 -2.00 0.00 0.00 41.25 38.96 3hmx s ASN 200 CO -0.02 -0.01 0.22 -0.31 -2.94 0.00 0.00 177.10 174.05 3hmx s TYR 201 N 0.49 2.91 -0.07 1.54 1.51 0.73 -4.95 117.35 119.51 3hmx s TYR 201 Ca -0.06 -0.26 -0.09 0.00 -1.01 0.00 0.00 57.07 55.66 3hmx s TYR 201 Cb -0.09 -1.63 0.02 0.00 -0.11 0.00 0.00 41.96 40.15 3hmx s TYR 201 CO -0.00 0.33 0.24 0.99 -1.11 0.00 0.00 175.55 175.99 3hmx s THR 202 N -2.28 0.02 -0.06 -0.71 2.01 -1.26 -1.44 115.64 111.92 3hmx s THR 202 Ca 0.38 -0.13 -0.05 0.00 0.31 0.00 0.00 61.69 62.19 3hmx s THR 202 Cb -0.06 -0.38 0.02 0.00 0.01 0.00 0.00 72.50 72.09 3hmx s THR 202 CO 0.25 -0.07 0.17 -0.55 -0.69 0.00 0.00 174.62 173.73 3hmx s SER 203 N -0.19 -0.17 -0.05 3.53 0.15 -0.58 -4.92 113.70 111.47 3hmx s SER 203 Ca -0.03 0.34 0.02 0.00 0.70 0.00 0.00 55.95 56.98 3hmx s SER 203 Cb -0.03 0.33 -0.03 0.00 -1.71 0.00 0.00 66.02 64.58 3hmx s SER 203 CO 0.01 -0.07 -0.08 -0.44 1.20 0.00 0.00 173.24 173.85 3hmx s SER 204 N 0.24 4.52 0.15 5.45 0.01 -1.26 -0.13 113.70 122.68 3hmx s SER 204 Ca -0.01 -0.08 -0.23 0.00 1.31 0.00 0.00 55.95 56.94 3hmx s SER 204 Cb -0.03 -1.09 0.07 0.00 0.21 0.00 0.00 66.02 65.19 3hmx s SER 204 CO -0.01 0.35 0.65 0.72 0.41 0.00 0.00 173.24 175.36 3hmx s PHE 205 N -0.82 -0.47 -0.13 2.43 -0.71 0.70 -4.96 117.98 114.02 3hmx s PHE 205 Ca 0.13 0.24 -0.07 0.00 -1.04 0.00 0.00 56.93 56.20 3hmx s PHE 205 Cb -0.11 0.58 -0.04 0.00 -1.21 0.00 0.00 43.02 42.24 3hmx s PHE 205 CO 0.02 -0.86 0.11 -0.06 -1.34 0.00 0.00 175.22 173.09 3hmx s PHE 206 N -3.69 3.47 0.29 3.49 0.40 -1.26 0.88 117.98 121.55 3hmx s PHE 206 Ca 0.03 0.40 0.02 0.00 -0.60 0.00 0.00 56.93 56.78 3hmx s PHE 206 Cb -0.02 -1.96 0.61 0.00 0.51 0.00 0.00 43.02 42.17 3hmx s PHE 206 CO -0.10 0.58 1.80 0.82 0.70 0.00 0.00 175.22 179.02 3hmx h ILE 207 N 4.18 0.82 0.00 0.64 2.04 -1.95 0.19 117.51 123.44 3hmx h ILE 207 Ca -0.51 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.06 3hmx h ILE 207 Cb 1.21 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.17 3hmx h ILE 207 CO 0.61 0.16 0.08 -2.11 0.00 0.00 0.00 178.15 176.89 3hmx n ARG 208 N -4.71 0.03 -0.01 2.37 1.85 -1.26 -1.62 116.66 113.32 3hmx n ARG 208 Ca 0.20 0.47 0.06 0.00 -1.00 0.00 0.00 57.85 57.58 3hmx n ARG 208 Cb 0.44 -1.67 -0.10 0.00 -1.05 0.00 0.00 32.46 30.08 3hmx n ARG 208 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3hmx n ASP 209 N -1.59 1.85 -2.34 2.89 10.43 0.66 -4.62 116.55 123.83 3hmx n ASP 209 Ca -0.00 -0.09 -0.27 0.00 2.57 0.00 0.00 54.79 56.99 3hmx n ASP 209 Cb 0.09 1.53 0.01 0.00 1.84 0.00 0.00 41.12 44.58 3hmx n ASP 209 CO 0.00 0.00 0.00 2.30 -1.07 0.00 0.00 177.20 178.43 3hmx n ILE 210 N -1.88 2.54 -3.70 0.53 -6.64 -0.64 -4.78 119.36 104.79 3hmx n ILE 210 Ca -0.02 -4.58 -0.36 0.00 -1.77 0.00 0.00 62.75 56.01 3hmx n ILE 210 Cb 0.32 -1.22 -0.10 0.00 -1.44 0.00 0.00 39.64 37.20 3hmx n ILE 210 CO 0.00 0.00 0.00 -0.63 -1.77 0.00 0.00 176.55 174.15 3hmx s ILE 211 N -5.16 5.18 -0.16 7.28 1.01 -1.23 -0.03 121.20 128.08 3hmx s ILE 211 Ca 0.50 0.12 0.00 0.00 0.00 0.00 0.00 60.65 61.27 3hmx s ILE 211 Cb 0.41 -3.42 0.03 0.00 0.01 0.00 0.00 42.46 39.50 3hmx s ILE 211 CO -0.12 0.34 -0.11 -0.75 0.00 0.00 0.00 174.94 174.31 3hmx s LYS 212 N 1.14 1.98 0.37 2.79 2.20 0.10 -2.12 119.74 126.21 3hmx s LYS 212 Ca 0.07 -0.59 -0.15 0.00 -0.36 0.00 0.00 55.97 54.94 3hmx s LYS 212 Cb -0.14 -2.10 -0.08 0.00 -1.51 0.00 0.00 37.83 33.99 3hmx s LYS 212 CO 0.05 -0.32 0.78 -2.14 -0.36 0.00 0.00 175.35 173.36 3hmx s PRO 213 N 1.52 3.97 0.77 4.03 0.02 -1.26 -3.70 135.00 140.33 3hmx s PRO 213 Ca 0.03 0.68 -0.14 0.00 0.02 0.00 0.00 61.00 61.59 3hmx s PRO 213 Cb -0.14 -2.37 0.06 0.00 0.02 0.00 0.00 34.50 32.06 3hmx s PRO 213 CO -0.09 0.06 1.20 -0.51 -0.33 0.00 0.00 177.00 177.32 3hmx s ASP 214 N -2.54 3.96 0.83 2.53 1.01 -1.26 -4.37 116.67 116.82 3hmx s ASP 214 Ca 0.55 2.32 -0.12 0.00 0.71 0.00 0.00 52.55 56.01 3hmx s ASP 214 Cb -0.10 -2.58 0.10 0.00 1.01 0.00 0.00 42.92 41.34 3hmx s ASP 214 CO 0.21 -2.42 1.17 -2.84 0.21 0.00 0.00 175.17 171.50 3hmx s PRO 215 N -4.07 1.56 0.51 8.23 0.02 -1.26 -4.79 135.00 135.19 3hmx s PRO 215 Ca 0.73 1.60 -0.20 0.00 0.02 0.00 0.00 61.00 63.15 3hmx s PRO 215 Cb -0.28 -1.78 -0.11 0.00 0.02 0.00 0.00 34.50 32.35 3hmx s PRO 215 CO 0.48 -2.24 0.49 -2.30 -0.33 0.00 0.00 177.00 173.10 3hmx n PRO 216 N -3.59 0.51 0.00 5.54 -0.02 -1.26 -4.65 135.00 131.53 3hmx n PRO 216 Ca 0.12 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.80 3hmx n PRO 216 Cb 0.51 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.41 3hmx n PRO 216 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3hmx n LYS 217 N 0.31 0.00 -4.98 -0.52 4.81 -0.89 -4.94 118.16 111.96 3hmx n LYS 217 Ca 0.11 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.28 3hmx n LYS 217 Cb 0.45 -0.07 -0.16 0.00 0.02 0.00 0.00 35.03 35.27 3hmx n LYS 217 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3hmx s ASN 218 N -1.81 2.40 0.26 3.14 2.20 -1.26 -4.95 114.94 114.92 3hmx s ASN 218 Ca 0.00 -0.38 0.08 0.00 -0.94 0.00 0.00 52.86 51.62 3hmx s ASN 218 Cb 0.00 -0.48 -0.04 0.00 -2.00 0.00 0.00 41.25 38.73 3hmx s ASN 218 CO 0.00 0.21 0.08 -0.76 -2.94 0.00 0.00 177.10 173.70 3hmx s LEU 219 N -0.24 3.46 0.00 3.54 1.02 -1.26 -4.10 118.68 121.11 3hmx s LEU 219 Ca 0.02 -0.47 0.04 0.00 0.02 0.00 0.00 54.13 53.74 3hmx s LEU 219 Cb -0.10 -1.99 -0.01 0.00 0.02 0.00 0.00 46.19 44.10 3hmx s LEU 219 CO 0.01 -0.01 0.27 0.00 0.02 0.00 0.00 176.35 176.64 3hmx n GLN 220 N -1.00 0.39 -4.41 1.70 3.00 -1.08 -4.98 117.38 111.00 3hmx n GLN 220 Ca -0.07 -2.54 -0.22 0.00 -0.01 0.00 0.00 57.00 54.16 3hmx n GLN 220 Cb 0.58 2.18 -0.08 0.00 0.00 0.00 0.00 30.24 32.92 3hmx n GLN 220 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3hmx s LEU 221 N 0.00 1.84 -0.37 1.08 1.02 -1.24 -3.95 118.68 117.07 3hmx s LEU 221 Ca 0.29 -1.66 -0.02 0.00 0.02 0.00 0.00 54.13 52.76 3hmx s LEU 221 Cb 0.01 0.14 0.25 0.00 0.02 0.00 0.00 46.19 46.62 3hmx s LEU 221 CO 0.21 -0.95 1.13 1.17 0.02 0.00 0.00 176.35 177.93 3hmx n LYS 222 N -0.75 0.24 0.25 1.70 4.81 -1.19 -4.87 118.16 118.35 3hmx n LYS 222 Ca -0.01 -0.94 0.16 0.00 -0.87 0.00 0.00 58.31 56.66 3hmx n LYS 222 Cb 0.64 -0.40 0.61 0.00 0.02 0.00 0.00 35.03 35.90 3hmx n LYS 222 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3hmx h PRO 223 N 3.59 0.00 0.00 1.64 0.11 -1.85 -3.37 132.00 132.13 3hmx h PRO 223 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 3hmx h PRO 223 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3hmx h PRO 223 CO -0.09 0.00 0.00 -0.11 -0.21 0.00 0.00 178.00 177.59 3hmx n LEU 224 N -2.95 0.00 0.00 2.35 7.94 -1.26 -4.08 117.00 119.01 3hmx n LEU 224 Ca 0.01 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 3hmx n LEU 224 Cb 0.31 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.26 3hmx n LEU 224 CO 0.27 0.00 0.27 0.29 -1.11 0.00 0.00 177.39 177.11 3hmx n LYS 225 N 12.85 0.00 0.00 1.96 4.01 -1.26 -4.84 118.16 130.88 3hmx n LYS 225 Ca 0.00 0.16 0.00 0.00 -0.51 0.00 0.00 58.31 57.96 3hmx n LYS 225 Cb 0.00 -1.07 0.00 0.00 -0.51 0.00 0.00 35.03 33.45 3hmx n LYS 225 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 3hmx n ASN 226 N -0.97 0.00 -4.75 4.39 2.85 -1.26 -5.08 115.26 110.44 3hmx n ASN 226 Ca 0.00 -0.10 -0.41 0.00 -0.11 0.00 0.00 54.58 53.96 3hmx n ASN 226 Cb 0.00 0.00 -0.04 0.00 1.24 0.00 0.00 39.78 40.98 3hmx n ASN 226 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 3hmx s SER 227 N 0.00 7.27 -1.06 1.20 1.04 -1.26 -4.98 113.70 115.91 3hmx s SER 227 Ca 0.00 2.19 -0.05 0.00 0.48 0.00 0.00 55.95 58.58 3hmx s SER 227 Cb 0.00 -2.62 0.30 0.00 0.10 0.00 0.00 66.02 63.80 3hmx s SER 227 CO 0.00 -0.17 1.36 0.54 0.98 0.00 0.00 173.24 175.95 3hmx n ARG 228 N 1.70 4.16 -3.83 4.02 5.12 -1.26 -4.53 116.66 122.04 3hmx n ARG 228 Ca 0.01 -4.54 -0.34 0.00 -1.93 0.00 0.00 57.85 51.05 3hmx n ARG 228 Cb 0.45 -2.50 -0.12 0.00 -1.16 0.00 0.00 32.46 29.13 3hmx n ARG 228 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3hmx s GLN 229 N -2.45 2.20 -0.22 5.56 -0.21 -1.26 -4.13 119.66 119.15 3hmx s GLN 229 Ca 0.31 -2.44 -0.29 0.00 0.02 0.00 0.00 55.36 52.96 3hmx s GLN 229 Cb 0.02 -3.52 -0.06 0.00 1.00 0.00 0.00 33.01 30.44 3hmx s GLN 229 CO 0.06 -1.12 2.20 0.28 -2.12 0.00 0.00 175.29 174.59 3hmx n VAL 230 N 3.52 0.35 -3.67 1.09 0.31 -1.19 -4.34 118.33 114.40 3hmx n VAL 230 Ca 0.05 -0.41 -0.36 0.00 -0.01 0.00 0.00 64.34 63.62 3hmx n VAL 230 Cb 0.36 -2.41 -0.08 0.00 -0.91 0.00 0.00 33.84 30.80 3hmx n VAL 230 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 3hmx s GLU 231 N 6.20 4.15 -0.11 5.55 -6.30 -1.26 -0.52 118.70 126.42 3hmx s GLU 231 Ca 1.01 -0.19 0.04 0.00 -2.50 0.00 0.00 54.97 53.33 3hmx s GLU 231 Cb -0.42 -3.47 0.00 0.00 0.00 0.00 0.00 34.13 30.23 3hmx s GLU 231 CO 0.38 0.18 -0.23 0.08 0.02 0.00 0.00 175.26 175.69 3hmx s VAL 232 N 0.69 2.03 0.08 3.70 1.01 0.15 -3.18 120.40 124.89 3hmx s VAL 232 Ca 0.09 -0.99 0.04 0.00 0.00 0.00 0.00 61.98 61.11 3hmx s VAL 232 Cb -0.12 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.46 3hmx s VAL 232 CO 0.02 0.55 -0.10 -0.94 0.00 0.00 0.00 175.10 174.62 3hmx s SER 233 N 0.44 1.38 0.00 3.32 1.04 -1.25 -1.46 113.70 117.16 3hmx s SER 233 Ca -0.17 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.53 3hmx s SER 233 Cb -0.17 0.01 0.00 0.00 0.10 0.00 0.00 66.02 65.95 3hmx s SER 233 CO 0.07 -0.22 0.00 -2.67 0.98 0.00 0.00 173.24 171.39 3hmx n TRP 234 N 0.83 0.00 -3.62 5.02 2.14 -1.21 -2.65 117.44 117.96 3hmx n TRP 234 Ca -0.18 0.00 -0.15 0.00 2.07 0.00 0.00 57.50 59.24 3hmx n TRP 234 Cb 0.57 0.00 -0.07 0.00 -0.81 0.00 0.00 31.31 31.00 3hmx n TRP 234 CO 0.00 0.00 0.00 -2.00 2.07 0.00 0.00 177.69 177.76 3hmx s GLU 235 N 1.31 0.92 0.31 -2.67 2.12 -1.26 -4.92 118.70 114.51 3hmx s GLU 235 Ca 0.00 -0.08 -0.30 0.00 0.36 0.00 0.00 54.97 54.96 3hmx s GLU 235 Cb 0.00 0.42 -0.11 0.00 0.26 0.00 0.00 34.13 34.70 3hmx s GLU 235 CO 0.00 -0.30 1.58 0.71 -0.54 0.00 0.00 175.26 176.71 3hmx s TYR 236 N -1.71 2.70 0.55 5.30 4.12 -1.26 -2.10 117.35 124.95 3hmx s TYR 236 Ca -0.10 0.86 -0.20 0.00 0.02 0.00 0.00 57.07 57.66 3hmx s TYR 236 Cb -0.02 -4.07 -0.07 0.00 -1.52 0.00 0.00 41.96 36.28 3hmx s TYR 236 CO 0.04 -3.50 0.82 -2.30 0.02 0.00 0.00 175.55 170.63 3hmx n PRO 237 N 1.79 0.86 0.01 -1.71 -0.02 -1.26 -4.72 135.00 129.94 3hmx n PRO 237 Ca 0.07 0.32 -0.04 0.00 -2.02 0.00 0.00 63.50 61.83 3hmx n PRO 237 Cb 0.38 -1.97 0.19 0.00 -0.02 0.00 0.00 33.50 32.07 3hmx n PRO 237 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3hmx h ASP 238 N 0.64 0.50 1.28 2.55 3.45 -1.92 -3.00 116.42 119.92 3hmx h ASP 238 Ca -0.46 -0.18 -0.10 0.00 0.43 0.00 0.00 57.03 56.72 3hmx h ASP 238 Cb 1.37 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 39.99 3hmx h ASP 238 CO 0.51 0.76 -0.48 0.71 -1.57 0.00 0.00 179.24 179.17 3hmx h THR 239 N 0.43 0.89 -3.38 0.35 1.35 -1.91 -3.46 112.91 107.17 3hmx h THR 239 Ca 0.06 -2.04 -0.57 0.00 -0.55 0.00 0.00 66.41 63.31 3hmx h THR 239 Cb 0.71 2.28 0.13 0.00 -1.73 0.00 0.00 68.15 69.54 3hmx h THR 239 CO 0.05 0.47 0.35 1.87 -0.25 0.00 0.00 175.52 178.02 3hmx n TRP 240 N -3.31 1.71 -2.26 4.73 -0.00 -1.13 -4.76 117.44 112.42 3hmx n TRP 240 Ca 0.01 0.52 -0.36 0.00 -0.00 0.00 0.00 57.50 57.67 3hmx n TRP 240 Cb 0.67 -2.31 -0.00 0.00 -0.00 0.00 0.00 31.31 29.67 3hmx n TRP 240 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 177.69 178.14 3hmx s SER 241 N -0.67 5.92 0.24 5.87 0.15 -1.26 -4.99 113.70 118.97 3hmx s SER 241 Ca 0.63 2.24 0.12 0.00 0.70 0.00 0.00 55.95 59.63 3hmx s SER 241 Cb -0.52 -2.59 -0.05 0.00 -1.71 0.00 0.00 66.02 61.15 3hmx s SER 241 CO 0.57 -1.08 -0.20 0.42 1.20 0.00 0.00 173.24 174.14 3hmx s THR 242 N -1.67 2.51 0.12 6.45 -4.23 -1.26 -4.30 115.64 113.26 3hmx s THR 242 Ca 0.69 -2.22 -0.30 0.00 -1.18 0.00 0.00 61.69 58.68 3hmx s THR 242 Cb -0.26 -2.27 -0.07 0.00 1.34 0.00 0.00 72.50 71.24 3hmx s THR 242 CO 0.30 -0.28 1.17 -2.84 -0.54 0.00 0.00 174.62 172.44 3hmx s PRO 243 N -3.18 4.49 0.16 3.99 0.02 -1.26 -4.96 135.00 134.26 3hmx s PRO 243 Ca 0.26 1.78 0.08 0.00 0.02 0.00 0.00 61.00 63.15 3hmx s PRO 243 Cb -0.06 -3.30 0.42 0.00 0.02 0.00 0.00 34.50 31.58 3hmx s PRO 243 CO 0.13 -0.13 1.13 0.72 -0.33 0.00 0.00 177.00 178.53 3hmx n HIS 244 N 3.15 0.26 0.04 6.54 8.25 -1.26 -0.86 115.22 131.35 3hmx n HIS 244 Ca 0.06 0.14 -0.21 0.00 -0.26 0.00 0.00 57.72 57.45 3hmx n HIS 244 Cb 0.46 -0.58 -0.14 0.00 1.12 0.00 0.00 29.99 30.84 3hmx n HIS 244 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3hmx h SER 245 N 0.00 0.49 1.78 0.41 4.64 -1.97 -2.92 113.55 115.98 3hmx h SER 245 Ca 0.00 -0.84 0.00 0.00 -0.47 0.00 0.00 61.79 60.48 3hmx h SER 245 Cb 0.34 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3hmx h SER 245 CO 0.00 1.72 0.00 0.22 -0.87 0.00 0.00 176.83 177.90 3hmx h TYR 246 N 0.09 0.00 -2.17 4.77 5.03 -1.40 -3.33 116.97 119.95 3hmx h TYR 246 Ca -0.35 0.00 -0.57 0.00 2.58 0.00 0.00 58.73 60.39 3hmx h TYR 246 Cb 2.06 0.00 -0.41 0.00 1.55 0.00 0.00 36.73 39.93 3hmx h TYR 246 CO 0.08 0.00 -0.78 1.19 -1.32 0.00 0.00 178.16 177.33 3hmx n PHE 247 N -3.05 2.65 -1.11 -3.82 3.01 -0.46 -5.01 117.46 109.67 3hmx n PHE 247 Ca 0.03 -3.96 -0.34 0.00 1.01 0.00 0.00 57.45 54.20 3hmx n PHE 247 Cb 0.48 -0.48 0.12 0.00 -0.01 0.00 0.00 39.48 39.59 3hmx n PHE 247 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3hmx n SER 248 N 0.45 0.77 -4.57 4.37 7.64 -1.10 -4.64 113.62 116.53 3hmx n SER 248 Ca 0.28 0.58 -0.26 0.00 1.01 0.00 0.00 58.87 60.48 3hmx n SER 248 Cb 0.46 -1.48 -0.11 0.00 -1.01 0.00 0.00 64.21 62.07 3hmx n SER 248 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hmx s LEU 249 N -5.10 2.71 0.15 -3.43 2.01 -1.26 -2.88 118.68 110.87 3hmx s LEU 249 Ca 0.72 -1.36 0.02 0.00 0.01 0.00 0.00 54.13 53.52 3hmx s LEU 249 Cb -0.29 -0.78 -0.04 0.00 0.01 0.00 0.00 46.19 45.08 3hmx s LEU 249 CO 0.52 -0.47 -0.03 0.28 1.01 0.00 0.00 176.35 177.66 3hmx s THR 250 N -2.84 0.71 0.03 5.49 -1.32 0.18 -4.53 115.64 113.35 3hmx s THR 250 Ca 0.35 -1.97 -0.01 0.00 -1.21 0.00 0.00 61.69 58.85 3hmx s THR 250 Cb 0.09 -1.96 -0.03 0.00 -1.51 0.00 0.00 72.50 69.09 3hmx s THR 250 CO 0.17 -0.62 -0.01 -0.36 -2.21 0.00 0.00 174.62 171.59 3hmx s PHE 251 N -3.63 0.36 -0.17 9.09 0.40 -0.47 -0.68 117.98 122.88 3hmx s PHE 251 Ca 0.20 -0.75 0.00 0.00 -0.60 0.00 0.00 56.93 55.78 3hmx s PHE 251 Cb 0.06 -0.27 0.04 0.00 0.51 0.00 0.00 43.02 43.36 3hmx s PHE 251 CO 0.01 -0.29 -0.08 0.00 0.70 0.00 0.00 175.22 175.55 3hmx s VAL 253 N 1.55 5.16 0.00 0.00 1.01 -0.69 -0.91 120.40 126.53 3hmx s VAL 253 Ca 0.01 0.46 0.00 0.00 0.00 0.00 0.00 61.98 62.45 3hmx s VAL 253 Cb -0.15 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.50 3hmx s VAL 253 CO -0.08 0.09 0.00 1.67 0.00 0.00 0.00 175.10 176.78 3hmx n GLN 254 N 5.36 3.99 0.00 2.72 7.27 0.34 -2.77 117.38 134.30 3hmx n GLN 254 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.99 3hmx n GLN 254 Cb 0.50 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.15 3hmx n GLN 254 CO 0.00 0.00 0.00 1.55 0.07 0.00 0.00 177.06 178.68 3hmx n VAL 255 N 0.00 0.00 -1.52 1.69 3.14 -1.26 -4.12 118.33 116.26 3hmx n VAL 255 Ca 0.00 0.00 -0.26 0.00 -2.96 0.00 0.00 64.34 61.12 3hmx n VAL 255 Cb 0.00 0.00 0.10 0.00 -1.06 0.00 0.00 33.84 32.88 3hmx n VAL 255 CO 0.00 0.00 0.00 1.67 -6.46 0.00 0.00 176.83 172.04 3hmx n GLN 256 N 0.00 2.74 0.00 1.45 7.27 -0.99 -4.77 117.38 123.08 3hmx n GLN 256 Ca 0.00 -3.47 0.00 0.00 0.07 0.00 0.00 57.00 53.60 3hmx n GLN 256 Cb 0.00 -2.20 0.00 0.00 2.41 0.00 0.00 30.24 30.45 3hmx n GLN 256 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 3hmx n LYS 264 N -0.93 0.00 0.00 3.69 5.02 -1.26 -5.05 118.16 119.63 3hmx n LYS 264 Ca 0.53 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.82 3hmx n LYS 264 Cb 0.93 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.94 3hmx n LYS 264 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3hmx n ASP 265 N 3.66 0.00 -4.75 4.39 5.75 -1.26 -5.13 116.55 119.21 3hmx n ASP 265 Ca 0.00 -1.00 -0.41 0.00 -0.01 0.00 0.00 54.79 53.37 3hmx n ASP 265 Cb 0.00 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.05 3hmx n ASP 265 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3hmx s ARG 266 N 0.00 4.54 -0.25 0.11 0.52 -1.26 -4.98 118.95 117.63 3hmx s ARG 266 Ca 0.00 1.87 0.01 0.00 -0.52 0.00 0.00 55.73 57.09 3hmx s ARG 266 Cb 0.00 -3.21 0.07 0.00 0.52 0.00 0.00 34.95 32.33 3hmx s ARG 266 CO 0.00 0.03 -0.04 0.08 0.02 0.00 0.00 175.30 175.39 3hmx s VAL 267 N -0.59 1.64 0.32 3.52 1.01 -1.11 -5.02 120.40 120.17 3hmx s VAL 267 Ca 0.49 -1.41 -0.10 0.00 0.00 0.00 0.00 61.98 60.97 3hmx s VAL 267 Cb -0.33 -1.94 -0.07 0.00 0.00 0.00 0.00 36.38 34.04 3hmx s VAL 267 CO 0.40 -0.19 0.66 -0.36 0.00 0.00 0.00 175.10 175.61 3hmx s PHE 268 N 1.32 3.44 -0.10 5.22 0.40 -1.26 -1.70 117.98 125.31 3hmx s PHE 268 Ca -0.03 0.94 -0.30 0.00 -0.60 0.00 0.00 56.93 56.94 3hmx s PHE 268 Cb -0.19 -2.34 0.12 0.00 0.51 0.00 0.00 43.02 41.12 3hmx s PHE 268 CO -0.08 0.08 0.98 -0.08 0.70 0.00 0.00 175.22 176.83 3hmx s THR 269 N -2.10 0.00 -0.23 0.64 -1.32 -0.81 -4.99 115.64 106.83 3hmx s THR 269 Ca 0.49 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.81 3hmx s THR 269 Cb -0.11 -1.00 -0.12 0.00 -1.51 0.00 0.00 72.50 69.76 3hmx s THR 269 CO 0.26 0.00 -0.16 0.47 -2.21 0.00 0.00 174.62 172.98 3hmx n ASP 270 N 0.18 1.91 -4.40 8.08 10.43 -1.26 -1.37 116.55 130.12 3hmx n ASP 270 Ca -0.08 0.40 -0.33 0.00 2.57 0.00 0.00 54.79 57.35 3hmx n ASP 270 Cb 0.60 -0.86 0.14 0.00 1.84 0.00 0.00 41.12 42.84 3hmx n ASP 270 CO 0.00 0.00 0.00 2.29 -1.07 0.00 0.00 177.20 178.42 3hmx n LYS 271 N -4.38 -0.69 -0.32 -1.24 2.85 -1.26 -4.76 118.16 108.36 3hmx n LYS 271 Ca -0.37 -0.16 0.04 0.00 -1.05 0.00 0.00 58.31 56.76 3hmx n LYS 271 Cb 0.70 -1.85 0.16 0.00 -0.65 0.00 0.00 35.03 33.40 3hmx n LYS 271 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 3hmx n THR 272 N -3.88 0.97 -3.50 0.58 5.66 -1.26 -4.86 114.28 107.99 3hmx n THR 272 Ca 0.05 -0.55 -0.16 0.00 -3.05 0.00 0.00 64.05 60.34 3hmx n THR 272 Cb 0.56 -0.24 -0.05 0.00 -1.55 0.00 0.00 70.33 69.05 3hmx n THR 272 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 3hmx s SER 273 N -0.51 -0.62 0.30 1.09 0.15 -1.26 -3.29 113.70 109.56 3hmx s SER 273 Ca 0.23 0.53 -0.18 0.00 0.70 0.00 0.00 55.95 57.22 3hmx s SER 273 Cb 0.16 0.53 0.06 0.00 -1.71 0.00 0.00 66.02 65.07 3hmx s SER 273 CO 0.09 -0.67 0.88 0.00 1.20 0.00 0.00 173.24 174.74 3hmx s ALA 274 N -1.79 -1.09 -0.02 5.45 0.00 -0.54 -5.03 121.76 118.73 3hmx s ALA 274 Ca -0.07 -0.57 -0.03 0.00 0.00 0.00 0.00 51.96 51.28 3hmx s ALA 274 Cb -0.00 0.71 0.01 0.00 0.00 0.00 0.00 23.12 23.83 3hmx s ALA 274 CO 0.04 -1.02 0.08 0.99 0.00 0.00 0.00 175.76 175.86 3hmx s THR 275 N -2.32 0.02 0.00 0.00 2.01 -1.26 -0.67 115.64 113.42 3hmx s THR 275 Ca 0.18 -0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.00 3hmx s THR 275 Cb -0.04 -0.18 0.00 0.00 0.01 0.00 0.00 72.50 72.29 3hmx s THR 275 CO 0.09 -0.10 0.00 1.33 -0.69 0.00 0.00 174.62 175.25 3hmx n VAL 276 N 2.70 0.00 -5.02 3.82 0.24 0.33 -4.96 118.33 115.44 3hmx n VAL 276 Ca -0.15 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 61.83 3hmx n VAL 276 Cb 0.58 0.00 -0.15 0.00 -1.47 0.00 0.00 33.84 32.81 3hmx n VAL 276 CO 0.00 0.00 0.00 -0.51 -2.14 0.00 0.00 176.83 174.18 3hmx s ILE 277 N -0.15 2.68 0.87 1.34 1.10 -1.26 -3.16 121.20 122.61 3hmx s ILE 277 Ca 0.00 -0.85 -0.12 0.00 -0.51 0.00 0.00 60.65 59.17 3hmx s ILE 277 Cb 0.00 -2.04 0.11 0.00 0.15 0.00 0.00 42.46 40.69 3hmx s ILE 277 CO 0.00 0.57 1.16 0.00 -2.11 0.00 0.00 174.94 174.57 3hmx n ARG 279 N -3.56 0.00 -1.38 0.00 -4.01 -1.26 -5.07 116.66 101.38 3hmx n ARG 279 Ca 0.08 0.00 -0.43 0.00 -1.04 0.00 0.00 57.85 56.45 3hmx n ARG 279 Cb 0.60 0.00 -0.01 0.00 -3.04 0.00 0.00 32.46 30.01 3hmx n ARG 279 CO 0.00 0.00 0.00 0.43 -3.04 0.00 0.00 177.63 175.02 3hmx n SER 283 N 0.00 -1.79 -4.40 2.89 7.64 -1.26 -5.06 113.62 111.63 3hmx n SER 283 Ca 0.00 0.93 -0.22 0.00 1.01 0.00 0.00 58.87 60.59 3hmx n SER 283 Cb 0.00 -0.98 -0.10 0.00 -1.01 0.00 0.00 64.21 62.12 3hmx n SER 283 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3hmx s ILE 284 N -1.43 2.11 -0.06 0.44 1.09 -0.99 -2.36 121.20 120.01 3hmx s ILE 284 Ca 0.61 -2.24 -0.31 0.00 -1.10 0.00 0.00 60.65 57.62 3hmx s ILE 284 Cb -0.70 -2.13 0.11 0.00 -1.06 0.00 0.00 42.46 38.68 3hmx s ILE 284 CO 0.60 -0.43 0.99 -0.94 -0.10 0.00 0.00 174.94 175.05 3hmx s SER 285 N -3.24 -0.29 -0.12 3.58 1.04 -1.25 -2.43 113.70 110.98 3hmx s SER 285 Ca 0.24 -0.01 -0.07 0.00 0.48 0.00 0.00 55.95 56.60 3hmx s SER 285 Cb -0.04 0.31 0.05 0.00 0.10 0.00 0.00 66.02 66.44 3hmx s SER 285 CO 0.10 -0.51 0.30 0.54 0.98 0.00 0.00 173.24 174.65 3hmx s VAL 286 N -2.91 -0.03 0.55 5.02 0.11 -1.22 -0.50 120.40 121.41 3hmx s VAL 286 Ca 0.06 0.12 0.06 0.00 -2.93 0.00 0.00 61.98 59.30 3hmx s VAL 286 Cb -0.01 -0.45 0.06 0.00 -1.53 0.00 0.00 36.38 34.46 3hmx s VAL 286 CO -0.08 0.05 0.76 -0.13 -3.33 0.00 0.00 175.10 172.37 3hmx s ARG 287 N 1.23 2.39 -0.05 1.54 0.52 -0.09 -3.60 118.95 120.89 3hmx s ARG 287 Ca -0.09 -1.34 -0.05 0.00 -0.52 0.00 0.00 55.73 53.74 3hmx s ARG 287 Cb -0.09 -2.61 0.01 0.00 0.52 0.00 0.00 34.95 32.78 3hmx s ARG 287 CO -0.09 -0.76 0.14 0.00 0.02 0.00 0.00 175.30 174.60 3hmx s ALA 288 N -2.66 -0.34 0.02 2.13 0.00 -1.26 -2.51 121.76 117.14 3hmx s ALA 288 Ca 0.60 0.38 0.01 0.00 0.00 0.00 0.00 51.96 52.94 3hmx s ALA 288 Cb -0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 3hmx s ALA 288 CO 0.38 -0.07 -0.03 -1.14 0.00 0.00 0.00 175.76 174.90 3hmx s GLN 289 N 0.06 0.29 -0.00 0.00 0.74 0.14 -1.34 119.66 119.55 3hmx s GLN 289 Ca -0.00 -0.48 -0.35 0.00 0.05 0.00 0.00 55.36 54.58 3hmx s GLN 289 Cb -0.01 -0.03 -0.14 0.00 1.10 0.00 0.00 33.01 33.93 3hmx s GLN 289 CO 0.00 -0.01 1.68 -3.47 -0.55 0.00 0.00 175.29 172.94 3hmx n ASP 290 N 1.99 2.92 -0.21 6.67 -0.08 -1.26 -0.65 116.55 125.93 3hmx n ASP 290 Ca -0.20 1.05 0.01 0.00 -1.51 0.00 0.00 54.79 54.13 3hmx n ASP 290 Cb 0.56 -1.33 0.12 0.00 2.34 0.00 0.00 41.12 42.81 3hmx n ASP 290 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 3hmx h ARG 291 N 7.10 0.36 0.01 -0.67 2.43 -1.76 -3.26 114.38 118.59 3hmx h ARG 291 Ca -0.47 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 58.68 3hmx h ARG 291 Cb 1.28 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 3hmx h ARG 291 CO 0.90 0.24 -0.01 1.88 -1.51 0.00 0.00 179.97 181.47 3hmx h TYR 292 N 0.37 -0.01 -3.06 2.20 -1.99 -1.88 -3.47 116.97 109.13 3hmx h TYR 292 Ca 0.33 -0.00 -0.62 0.00 2.00 0.00 0.00 58.73 60.44 3hmx h TYR 292 Cb 0.45 0.00 -0.09 0.00 2.00 0.00 0.00 36.73 39.09 3hmx h TYR 292 CO -0.19 0.76 -0.61 0.71 -0.00 0.00 0.00 178.16 178.82 3hmx s TYR 293 N -2.95 3.11 -0.81 4.88 2.02 -1.23 -5.00 117.35 117.37 3hmx s TYR 293 Ca -0.17 0.01 -0.07 0.00 -0.37 0.00 0.00 57.07 56.46 3hmx s TYR 293 Cb -0.01 -1.55 -0.16 0.00 -0.40 0.00 0.00 41.96 39.84 3hmx s TYR 293 CO 0.65 0.51 3.06 0.43 -1.57 0.00 0.00 175.55 178.64 3hmx n SER 294 N 0.21 6.57 -3.63 2.29 7.64 -1.26 -4.40 113.62 121.04 3hmx n SER 294 Ca -0.09 -2.47 0.00 0.00 1.01 0.00 0.00 58.87 57.32 3hmx n SER 294 Cb 0.53 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 3hmx n SER 294 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3hmx n SER 295 N 3.17 0.00 -4.79 6.43 7.64 -1.26 -4.98 113.62 119.83 3hmx n SER 295 Ca 0.57 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 60.07 3hmx n SER 295 Cb 0.50 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.64 3hmx n SER 295 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3hmx s SER 296 N -1.63 6.96 0.56 6.43 0.01 -0.90 -4.94 113.70 120.19 3hmx s SER 296 Ca 0.00 1.14 -0.19 0.00 1.31 0.00 0.00 55.95 58.21 3hmx s SER 296 Cb 0.00 -2.33 -0.05 0.00 0.21 0.00 0.00 66.02 63.85 3hmx s SER 296 CO 0.00 0.21 1.17 0.26 0.41 0.00 0.00 173.24 175.30 3hmx s TRP 297 N -0.71 2.53 0.83 2.43 0.52 -1.26 -4.46 118.94 118.82 3hmx s TRP 297 Ca 0.28 1.53 -0.12 0.00 0.02 0.00 0.00 56.10 57.81 3hmx s TRP 297 Cb -0.18 -3.40 0.09 0.00 -1.15 0.00 0.00 33.47 28.82 3hmx s TRP 297 CO 0.17 -1.92 1.15 -1.54 0.02 0.00 0.00 176.95 174.83 3hmx s SER 298 N -1.64 4.31 1.15 2.95 1.04 -0.45 -4.83 113.70 116.23 3hmx s SER 298 Ca 0.75 0.95 -0.15 0.00 0.48 0.00 0.00 55.95 57.98 3hmx s SER 298 Cb -0.28 -1.53 0.27 0.00 0.10 0.00 0.00 66.02 64.58 3hmx s SER 298 CO 0.31 -2.04 1.05 -1.61 0.98 0.00 0.00 173.24 171.92 3hmx s GLU 299 N -5.41 -0.83 0.39 4.02 0.41 -1.26 -4.54 118.70 111.48 3hmx s GLU 299 Ca 0.62 0.50 -0.06 0.00 -0.41 0.00 0.00 54.97 55.62 3hmx s GLU 299 Cb -0.13 -1.59 -0.05 0.00 -1.78 0.00 0.00 34.13 30.58 3hmx s GLU 299 CO 0.51 -3.58 0.69 -1.58 -0.49 0.00 0.00 175.26 170.82 3hmx s TRP 300 N -2.68 3.50 -0.26 1.61 0.52 -1.26 -4.57 118.94 115.80 3hmx s TRP 300 Ca 0.68 0.78 0.00 0.00 0.02 0.00 0.00 56.10 57.59 3hmx s TRP 300 Cb -0.20 -2.24 0.07 0.00 -1.15 0.00 0.00 33.47 29.95 3hmx s TRP 300 CO 0.60 -0.05 0.00 0.00 0.02 0.00 0.00 176.95 177.52 3hmx s ALA 301 N -2.40 1.89 0.79 0.98 0.00 -1.24 -4.94 121.76 116.85 3hmx s ALA 301 Ca 0.47 -1.50 -0.09 0.00 0.00 0.00 0.00 51.96 50.84 3hmx s ALA 301 Cb -0.10 -1.51 0.11 0.00 0.00 0.00 0.00 23.12 21.62 3hmx s ALA 301 CO 0.35 -1.35 1.12 -1.12 0.00 0.00 0.00 175.76 174.77 3hmx s SER 302 N 1.43 4.25 -0.20 0.00 0.01 -1.25 -3.40 113.70 114.54 3hmx s SER 302 Ca 0.00 0.35 -0.30 0.00 1.31 0.00 0.00 55.95 57.31 3hmx s SER 302 Cb -0.18 -0.78 0.15 0.00 0.21 0.00 0.00 66.02 65.42 3hmx s SER 302 CO -0.10 -1.99 1.12 0.54 0.41 0.00 0.00 173.24 173.22 3hmx s VAL 303 N -3.46 0.00 0.77 3.43 0.11 -1.02 -4.91 120.40 115.32 3hmx s VAL 303 Ca 0.65 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 59.56 3hmx s VAL 303 Cb -0.08 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 33.83 3hmx s VAL 303 CO 0.48 0.00 1.21 -2.16 -3.33 0.00 0.00 175.10 171.29 3hmx s PRO 304 N -1.23 1.88 0.00 1.54 0.04 -1.26 -2.35 135.00 133.62 3hmx s PRO 304 Ca 0.02 1.76 0.32 0.00 0.04 0.00 0.00 61.00 63.14 3hmx s PRO 304 Cb -0.01 -1.80 1.88 0.00 0.04 0.00 0.00 34.50 34.61 3hmx s PRO 304 CO -0.02 -2.04 2.20 0.00 0.04 0.00 0.00 177.00 177.19