#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1j n PRO 19 N 0.00 0.00 0.00 0.00 -0.02 -1.26 -4.99 135.00 128.73 3h1j n PRO 19 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3h1j n PRO 19 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3h1j n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3h1j n GLY 20 N 0.00 1.73 2.70 -1.23 0.00 -1.26 -5.14 105.19 101.99 3h1j n GLY 20 Ca 0.00 -0.20 -0.18 0.00 0.00 0.00 0.00 46.02 45.64 3h1j n GLY 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1j s ALA 21 N -2.00 0.19 0.51 4.61 0.00 -1.26 -4.92 121.76 118.88 3h1j s ALA 21 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.19 3h1j s ALA 21 Cb 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.62 3h1j s ALA 21 CO 0.00 -0.36 0.00 0.39 0.00 0.00 0.00 175.76 175.79 3h1j n GLU 22 N 4.93 3.41 -3.75 0.00 -0.58 -1.26 -5.14 120.64 118.26 3h1j n GLU 22 Ca -0.11 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.50 3h1j n GLU 22 Cb 0.50 0.00 -0.13 0.00 -0.57 0.00 0.00 31.44 31.24 3h1j n GLU 22 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3h1j s ASP 23 N -1.00 -0.26 -0.97 1.62 1.01 -1.26 -5.06 116.67 110.75 3h1j s ASP 23 Ca 0.00 0.51 -0.24 0.00 0.71 0.00 0.00 52.55 53.53 3h1j s ASP 23 Cb 0.00 0.43 0.03 0.00 1.01 0.00 0.00 42.92 44.39 3h1j s ASP 23 CO 0.00 -0.14 1.51 -0.22 0.21 0.00 0.00 175.17 176.53 3h1j s LEU 24 N 0.89 3.41 0.95 1.23 2.96 -1.26 -4.64 118.68 122.22 3h1j s LEU 24 Ca -0.06 -1.20 -0.16 0.00 -0.22 0.00 0.00 54.13 52.49 3h1j s LEU 24 Cb -0.08 -2.57 0.19 0.00 0.50 0.00 0.00 46.19 44.24 3h1j s LEU 24 CO -0.06 -1.74 1.31 -1.61 -1.32 0.00 0.00 176.35 172.94 3h1j s GLU 25 N 5.39 0.74 -0.35 1.98 2.02 -1.22 -4.95 118.70 122.32 3h1j s GLU 25 Ca 0.49 -0.37 -0.05 0.00 0.02 0.00 0.00 54.97 55.06 3h1j s GLU 25 Cb -0.02 -1.85 0.22 0.00 0.10 0.00 0.00 34.13 32.58 3h1j s GLU 25 CO -0.06 -2.35 1.10 1.51 0.02 0.00 0.00 175.26 175.48 3h1j n ILE 26 N -3.73 0.00 -1.32 -1.63 3.06 -1.25 -3.21 119.36 111.27 3h1j n ILE 26 Ca 0.15 -0.33 -0.29 0.00 -2.50 0.00 0.00 62.75 59.78 3h1j n ILE 26 Cb 0.60 0.70 0.13 0.00 0.54 0.00 0.00 39.64 41.61 3h1j n ILE 26 CO 0.00 0.00 0.00 -0.89 -2.50 0.00 0.00 176.55 173.16 3h1j s THR 27 N 0.84 2.57 -0.33 9.51 2.01 -0.20 -4.82 115.64 125.23 3h1j s THR 27 Ca 0.24 0.19 0.02 0.00 0.31 0.00 0.00 61.69 62.45 3h1j s THR 27 Cb 0.14 -2.76 0.15 0.00 0.01 0.00 0.00 72.50 70.03 3h1j s THR 27 CO -0.10 -0.24 0.35 -0.75 -0.69 0.00 0.00 174.62 173.19 3h1j s LYS 28 N -5.03 0.48 0.88 4.92 2.20 -1.26 -1.29 119.74 120.64 3h1j s LYS 28 Ca 0.63 -0.40 -0.15 0.00 -0.36 0.00 0.00 55.97 55.69 3h1j s LYS 28 Cb -0.17 -0.62 -0.04 0.00 -1.51 0.00 0.00 37.83 35.49 3h1j s LYS 28 CO 0.56 -1.10 0.08 1.28 -0.36 0.00 0.00 175.35 175.80 3h1j n LEU 29 N 4.86 -1.76 -0.19 5.43 4.77 -0.84 -4.83 117.00 124.45 3h1j n LEU 29 Ca 0.04 0.37 0.07 0.00 -0.03 0.00 0.00 56.01 56.46 3h1j n LEU 29 Cb 0.46 -1.07 0.35 0.00 -2.33 0.00 0.00 43.42 40.84 3h1j n LEU 29 CO 0.03 -4.23 1.22 1.55 -1.33 0.00 0.00 177.39 174.63 3h1j h PRO 30 N -1.02 0.74 0.00 3.23 0.13 -2.01 -2.07 132.00 130.99 3h1j h PRO 30 Ca -0.44 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3h1j h PRO 30 Cb 1.31 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3h1j h PRO 30 CO 0.34 0.49 0.00 0.27 -0.23 0.00 0.00 178.00 178.86 3h1j n ASN 31 N -4.48 0.00 0.00 1.44 2.04 -1.26 -4.84 115.26 108.16 3h1j n ASN 31 Ca 0.11 0.03 0.00 0.00 -0.44 0.00 0.00 54.58 54.28 3h1j n ASN 31 Cb 0.23 -0.25 0.00 0.00 -2.53 0.00 0.00 39.78 37.24 3h1j n ASN 31 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3h1j n GLY 32 N -0.20 0.42 3.67 4.83 0.00 -0.78 -3.85 105.19 109.27 3h1j n GLY 32 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3h1j n GLY 32 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h1j s LEU 33 N 0.00 4.31 0.13 0.99 2.96 -0.82 -4.43 118.68 121.82 3h1j s LEU 33 Ca 0.00 2.16 -0.13 0.00 -0.22 0.00 0.00 54.13 55.94 3h1j s LEU 33 Cb 0.00 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 43.08 3h1j s LEU 33 CO 0.00 -0.87 0.52 -0.63 -1.32 0.00 0.00 176.35 174.05 3h1j s ILE 34 N 3.57 4.91 -0.16 6.68 1.01 -1.10 -1.98 121.20 134.12 3h1j s ILE 34 Ca 0.69 0.75 -0.02 0.00 0.00 0.00 0.00 60.65 62.07 3h1j s ILE 34 Cb -0.32 -3.72 0.05 0.00 0.01 0.00 0.00 42.46 38.48 3h1j s ILE 34 CO 0.27 0.26 0.01 -0.63 0.00 0.00 0.00 174.94 174.84 3h1j s ILE 35 N -1.45 0.65 -0.13 2.92 1.01 -0.41 0.18 121.20 123.98 3h1j s ILE 35 Ca 0.37 -0.45 -0.00 0.00 0.00 0.00 0.00 60.65 60.56 3h1j s ILE 35 Cb -0.15 -1.01 0.03 0.00 0.01 0.00 0.00 42.46 41.34 3h1j s ILE 35 CO 0.19 -0.03 -0.10 0.00 0.00 0.00 0.00 174.94 175.00 3h1j s ALA 36 N 1.82 1.54 0.47 9.38 0.00 -1.13 -1.03 121.76 132.80 3h1j s ALA 36 Ca 0.00 -0.71 0.03 0.00 0.00 0.00 0.00 51.96 51.28 3h1j s ALA 36 Cb -0.16 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 21.94 3h1j s ALA 36 CO -0.07 -0.45 0.01 -1.54 0.00 0.00 0.00 175.76 173.70 3h1j s SER 37 N 1.62 4.01 -0.30 0.00 1.04 -1.20 -1.37 113.70 117.51 3h1j s SER 37 Ca 0.04 -1.56 -0.06 0.00 0.48 0.00 0.00 55.95 54.85 3h1j s SER 37 Cb -0.13 0.23 0.19 0.00 0.10 0.00 0.00 66.02 66.40 3h1j s SER 37 CO -0.09 -0.72 0.89 -0.22 0.98 0.00 0.00 173.24 174.08 3h1j s LEU 38 N -3.82 -0.82 -0.32 2.42 2.96 -1.15 -3.37 118.68 114.59 3h1j s LEU 38 Ca 0.16 0.20 -0.29 0.00 -0.22 0.00 0.00 54.13 53.97 3h1j s LEU 38 Cb 0.04 1.56 0.00 0.00 0.50 0.00 0.00 46.19 48.30 3h1j s LEU 38 CO 0.08 -0.15 1.32 -0.70 -1.32 0.00 0.00 176.35 175.58 3h1j s GLU 39 N 2.92 3.86 -0.10 1.98 2.56 -1.02 -1.39 118.70 127.51 3h1j s GLU 39 Ca 0.17 1.19 0.13 0.00 0.00 0.00 0.00 54.97 56.46 3h1j s GLU 39 Cb -0.07 -3.90 0.27 0.00 2.00 0.00 0.00 34.13 32.43 3h1j s GLU 39 CO -0.21 -1.20 1.18 0.27 -0.56 0.00 0.00 175.26 174.74 3h1j n ASN 40 N 7.82 2.61 -0.81 -1.70 6.94 -1.26 -4.03 115.26 124.84 3h1j n ASN 40 Ca 0.15 -2.72 -0.05 0.00 -0.02 0.00 0.00 54.58 51.94 3h1j n ASN 40 Cb 0.47 -0.33 -0.02 0.00 -2.36 0.00 0.00 39.78 37.53 3h1j n ASN 40 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 3h1j n PHE 41 N -0.86 -0.41 -1.75 -2.53 3.01 -1.26 -4.90 117.46 108.76 3h1j n PHE 41 Ca 0.13 0.00 -0.38 0.00 1.01 0.00 0.00 57.45 58.21 3h1j n PHE 41 Cb 0.58 -1.64 0.05 0.00 -0.01 0.00 0.00 39.48 38.45 3h1j n PHE 41 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3h1j s SER 42 N -1.36 5.08 0.00 4.37 0.15 -1.26 -4.83 113.70 115.85 3h1j s SER 42 Ca 0.00 2.76 0.14 0.00 0.70 0.00 0.00 55.95 59.55 3h1j s SER 42 Cb 0.00 -2.63 0.77 0.00 -1.71 0.00 0.00 66.02 62.45 3h1j s SER 42 CO 0.00 -1.70 1.32 -0.81 1.20 0.00 0.00 173.24 173.25 3h1j n PRO 43 N -1.25 0.32 -4.46 5.44 -0.04 -1.26 -4.63 135.00 129.11 3h1j n PRO 43 Ca 0.12 0.08 -0.21 0.00 -0.04 0.00 0.00 63.50 63.45 3h1j n PRO 43 Cb 0.46 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.26 3h1j n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h1j s ALA 44 N -2.29 0.94 0.24 0.55 0.00 -1.26 -1.94 121.76 118.00 3h1j s ALA 44 Ca 0.17 -0.41 0.05 0.00 0.00 0.00 0.00 51.96 51.78 3h1j s ALA 44 Cb 0.09 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.87 3h1j s ALA 44 CO 0.19 0.18 0.34 -1.12 0.00 0.00 0.00 175.76 175.34 3h1j s SER 45 N 0.05 6.21 -0.35 0.00 0.01 -0.33 -4.63 113.70 114.66 3h1j s SER 45 Ca -0.01 0.03 0.04 0.00 1.31 0.00 0.00 55.95 57.31 3h1j s SER 45 Cb -0.08 -1.80 0.16 0.00 0.21 0.00 0.00 66.02 64.52 3h1j s SER 45 CO 0.00 -0.07 0.43 -0.60 0.41 0.00 0.00 173.24 173.42 3h1j s ARG 46 N -3.96 0.58 0.59 12.44 3.52 -0.99 -1.92 118.95 129.22 3h1j s ARG 46 Ca 0.34 -0.36 -0.05 0.00 -0.13 0.00 0.00 55.73 55.53 3h1j s ARG 46 Cb -0.09 -0.41 0.02 0.00 -1.56 0.00 0.00 34.95 32.91 3h1j s ARG 46 CO 0.28 -1.13 0.89 0.42 -0.81 0.00 0.00 175.30 174.95 3h1j s ILE 47 N 1.95 3.41 -0.29 4.11 1.09 -1.08 -2.87 121.20 127.51 3h1j s ILE 47 Ca 0.14 -0.13 -0.20 0.00 -1.10 0.00 0.00 60.65 59.37 3h1j s ILE 47 Cb -0.12 -3.36 0.17 0.00 -1.06 0.00 0.00 42.46 38.09 3h1j s ILE 47 CO -0.15 -0.35 1.16 -0.83 -0.10 0.00 0.00 174.94 174.67 3h1j s GLY 48 N -4.34 0.22 -0.54 6.18 0.00 -0.53 -2.22 107.32 106.09 3h1j s GLY 48 Ca 0.55 3.32 -0.19 0.00 0.00 0.00 0.00 44.72 48.39 3h1j s GLY 48 CO 0.44 2.35 0.67 0.14 0.00 0.00 0.00 173.10 176.70 3h1j s VAL 49 N 0.75 4.83 -0.07 1.40 1.01 0.25 -1.94 120.40 126.63 3h1j s VAL 49 Ca -0.03 -0.61 -0.23 0.00 0.00 0.00 0.00 61.98 61.11 3h1j s VAL 49 Cb -0.04 -4.37 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 3h1j s VAL 49 CO -0.12 -0.93 0.68 -0.36 0.00 0.00 0.00 175.10 174.38 3h1j s PHE 50 N 2.73 3.57 0.11 5.22 0.40 0.70 -1.81 117.98 128.92 3h1j s PHE 50 Ca 0.15 1.22 0.08 0.00 -0.60 0.00 0.00 56.93 57.78 3h1j s PHE 50 Cb -0.20 -2.79 -0.04 0.00 0.51 0.00 0.00 43.02 40.50 3h1j s PHE 50 CO 0.10 0.09 -0.21 0.42 0.70 0.00 0.00 175.22 176.33 3h1j s ILE 51 N 0.79 1.75 -0.34 0.64 1.01 0.55 -0.50 121.20 125.10 3h1j s ILE 51 Ca 0.37 -1.62 -0.04 0.00 0.00 0.00 0.00 60.65 59.36 3h1j s ILE 51 Cb -0.18 -1.62 0.02 0.00 0.01 0.00 0.00 42.46 40.69 3h1j s ILE 51 CO 0.18 -0.11 2.80 0.29 0.00 0.00 0.00 174.94 178.10 3h1j n LYS 52 N 0.93 2.21 -3.61 2.79 5.02 0.14 -2.33 118.16 123.31 3h1j n LYS 52 Ca -0.18 -1.93 -0.23 0.00 -2.02 0.00 0.00 58.31 53.95 3h1j n LYS 52 Cb 0.54 -2.01 -0.01 0.00 -0.02 0.00 0.00 35.03 33.53 3h1j n LYS 52 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h1j s ALA 53 N -1.20 4.33 0.00 7.82 0.00 -1.26 -4.91 121.76 126.54 3h1j s ALA 53 Ca 0.55 -1.67 0.00 0.00 0.00 0.00 0.00 51.96 50.83 3h1j s ALA 53 Cb 0.34 -0.97 0.00 0.00 0.00 0.00 0.00 23.12 22.49 3h1j s ALA 53 CO -0.15 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 175.60 3h1j n GLY 54 N -1.76 3.08 0.27 0.00 0.00 -1.26 -0.71 105.19 104.82 3h1j n GLY 54 Ca 0.03 -1.21 0.13 0.00 0.00 0.00 0.00 46.02 44.97 3h1j n GLY 54 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3h1j h SER 55 N 0.00 0.00 1.07 1.61 4.64 -1.64 -2.16 113.55 117.07 3h1j h SER 55 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 3h1j h SER 55 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3h1j h SER 55 CO 0.00 0.00 -0.25 0.08 -0.87 0.00 0.00 176.83 175.79 3h1j h ARG 56 N 0.00 0.00 -0.00 4.77 0.11 -1.39 -2.56 114.38 115.31 3h1j h ARG 56 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3h1j h ARG 56 Cb 0.57 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.65 3h1j h ARG 56 CO 0.00 0.25 -0.02 0.66 0.10 0.00 0.00 179.97 180.96 3h1j n TYR 57 N -3.34 0.00 -1.51 4.08 4.02 -0.81 -4.31 117.16 115.29 3h1j n TYR 57 Ca 0.01 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.59 3h1j n TYR 57 Cb 0.48 -0.22 0.08 0.00 -0.02 0.00 0.00 39.34 39.66 3h1j n TYR 57 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 3h1j s GLU 58 N -2.45 2.44 0.24 -0.72 2.02 -0.97 -5.03 118.70 114.23 3h1j s GLU 58 Ca 0.32 0.85 0.04 0.00 0.02 0.00 0.00 54.97 56.20 3h1j s GLU 58 Cb 0.21 -1.94 -0.05 0.00 0.10 0.00 0.00 34.13 32.44 3h1j s GLU 58 CO 0.45 -1.43 -0.02 0.99 0.02 0.00 0.00 175.26 175.27 3h1j s THR 59 N -3.06 1.22 0.44 3.63 2.01 -1.26 -4.83 115.64 113.78 3h1j s THR 59 Ca 0.60 -2.06 0.24 0.00 0.31 0.00 0.00 61.69 60.78 3h1j s THR 59 Cb -0.15 -2.36 0.44 0.00 0.01 0.00 0.00 72.50 70.45 3h1j s THR 59 CO 0.55 -0.33 1.77 0.00 -0.69 0.00 0.00 174.62 175.91 3h1j h THR 60 N 2.42 0.46 -0.40 -0.82 1.03 -1.99 -1.02 112.91 112.59 3h1j h THR 60 Ca -0.39 -0.09 0.03 0.00 -0.01 0.00 0.00 66.41 65.96 3h1j h THR 60 Cb 1.22 0.18 -0.04 0.00 -1.07 0.00 0.00 68.15 68.44 3h1j h THR 60 CO 0.65 0.05 0.19 0.00 -0.01 0.00 0.00 175.52 176.40 3h1j h ALA 61 N 1.56 0.50 -0.10 0.00 0.00 -2.02 -3.24 119.26 115.96 3h1j h ALA 61 Ca 0.60 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.51 3h1j h ALA 61 Cb 1.80 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.53 3h1j h ALA 61 CO -0.23 -0.17 -0.09 0.27 0.00 0.00 0.00 179.25 179.03 3h1j n ASN 62 N -4.93 2.64 -4.25 0.00 6.94 -0.49 -5.06 115.26 110.11 3h1j n ASN 62 Ca 0.02 -3.28 -0.57 0.00 -0.02 0.00 0.00 54.58 50.73 3h1j n ASN 62 Cb 0.10 -0.50 -0.08 0.00 -2.36 0.00 0.00 39.78 36.95 3h1j n ASN 62 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 3h1j n LEU 63 N -1.13 0.21 0.00 -4.53 4.77 -0.57 -0.45 117.00 115.31 3h1j n LEU 63 Ca 0.20 1.09 0.00 0.00 -0.03 0.00 0.00 56.01 57.27 3h1j n LEU 63 Cb 0.76 -0.85 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3h1j n LEU 63 CO 0.06 -1.59 0.00 0.61 -1.33 0.00 0.00 177.39 175.14 3h1j n GLY 64 N 1.85 3.27 0.28 -0.72 0.00 -1.26 -4.72 105.19 103.89 3h1j n GLY 64 Ca 0.21 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.30 3h1j n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1j h THR 65 N 0.00 0.47 -0.95 2.61 1.03 -1.17 0.13 112.91 115.04 3h1j h THR 65 Ca 0.00 -0.09 0.16 0.00 -0.01 0.00 0.00 66.41 66.47 3h1j h THR 65 Cb 0.00 0.18 -0.10 0.00 -1.07 0.00 0.00 68.15 67.16 3h1j h THR 65 CO 0.00 0.05 0.55 0.00 -0.01 0.00 0.00 175.52 176.11 3h1j h ALA 66 N 1.65 1.50 0.37 0.00 0.00 -1.90 0.18 119.26 121.06 3h1j h ALA 66 Ca 0.45 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.41 3h1j h ALA 66 Cb 0.80 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3h1j h ALA 66 CO -0.54 -0.01 -0.18 1.25 0.00 0.00 0.00 179.25 179.77 3h1j h HIS 67 N 0.76 -0.46 -0.34 0.00 6.17 -1.02 -2.59 115.15 117.67 3h1j h HIS 67 Ca 0.52 -0.01 0.05 0.00 0.71 0.00 0.00 60.37 61.64 3h1j h HIS 67 Cb 0.73 0.15 -0.02 0.00 2.52 0.00 0.00 27.41 30.80 3h1j h HIS 67 CO -0.04 -0.16 0.23 1.25 0.71 0.00 0.00 177.93 179.92 3h1j h LEU 68 N -0.73 0.21 -1.04 0.26 5.85 -0.83 0.20 115.31 119.23 3h1j h LEU 68 Ca -0.05 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.59 3h1j h LEU 68 Cb 0.50 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 3h1j h LEU 68 CO 0.08 0.14 -0.14 0.25 -0.34 0.00 0.00 178.44 178.44 3h1j h LEU 69 N 0.24 0.51 -1.30 2.25 5.85 -0.85 -1.96 115.31 120.05 3h1j h LEU 69 Ca 0.15 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 3h1j h LEU 69 Cb 0.28 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3h1j h LEU 69 CO -0.03 0.68 -0.09 -0.09 -0.34 0.00 0.00 178.44 178.57 3h1j h ARG 70 N 0.48 0.36 -0.22 1.25 2.43 -0.20 -1.76 114.38 116.72 3h1j h ARG 70 Ca 0.09 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3h1j h ARG 70 Cb 0.52 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 3h1j h ARG 70 CO 0.03 0.47 0.00 1.28 -1.51 0.00 0.00 179.97 180.24 3h1j n LEU 71 N -4.27 2.20 -0.17 3.80 4.77 -0.84 -3.85 117.00 118.65 3h1j n LEU 71 Ca 0.00 -0.92 0.12 0.00 -0.03 0.00 0.00 56.01 55.19 3h1j n LEU 71 Cb 0.27 -0.14 0.28 0.00 -2.33 0.00 0.00 43.42 41.49 3h1j n LEU 71 CO 0.39 0.46 0.52 0.00 -1.33 0.00 0.00 177.39 177.42 3h1j n ALA 72 N 0.68 3.37 -0.40 -1.18 0.00 -0.66 -4.40 120.51 117.91 3h1j n ALA 72 Ca 0.17 -0.42 0.33 0.00 0.00 0.00 0.00 53.44 53.52 3h1j n ALA 72 Cb 0.41 -1.08 0.61 0.00 0.00 0.00 0.00 19.45 19.39 3h1j n ALA 72 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3h1j h SER 73 N 0.82 0.31 -0.24 0.00 4.64 -1.67 0.12 113.55 117.53 3h1j h SER 73 Ca 0.00 0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 3h1j h SER 73 Cb 0.52 0.12 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 3h1j h SER 73 CO 0.00 -0.16 0.00 -0.81 -0.87 0.00 0.00 176.83 174.99 3h1j n PRO 74 N -4.76 1.87 -1.83 4.77 -0.04 -1.26 -4.91 135.00 128.83 3h1j n PRO 74 Ca 0.35 -1.32 -0.31 0.00 -0.04 0.00 0.00 63.50 62.18 3h1j n PRO 74 Cb 1.29 -1.39 0.02 0.00 -0.04 0.00 0.00 33.50 33.38 3h1j n PRO 74 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3h1j s LEU 75 N -1.45 3.25 0.55 1.53 1.43 0.40 -4.44 118.68 119.95 3h1j s LEU 75 Ca 0.32 1.51 -0.21 0.00 -1.03 0.00 0.00 54.13 54.72 3h1j s LEU 75 Cb 0.17 -4.48 -0.06 0.00 0.03 0.00 0.00 46.19 41.85 3h1j s LEU 75 CO 0.25 -1.03 1.17 0.35 0.23 0.00 0.00 176.35 177.32 3h1j n THR 76 N -2.73 3.60 -4.44 5.49 -2.24 -1.26 -4.55 114.28 108.15 3h1j n THR 76 Ca 0.07 -0.50 -0.22 0.00 -2.27 0.00 0.00 64.05 61.13 3h1j n THR 76 Cb 0.54 -1.41 -0.10 0.00 -2.10 0.00 0.00 70.33 67.26 3h1j n THR 76 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3h1j s THR 77 N -1.36 1.89 -0.96 4.28 -4.23 0.27 -2.62 115.64 112.90 3h1j s THR 77 Ca 0.72 -2.20 0.00 0.00 -1.18 0.00 0.00 61.69 59.03 3h1j s THR 77 Cb -0.44 -2.38 0.00 0.00 1.34 0.00 0.00 72.50 71.02 3h1j s THR 77 CO 0.49 -0.36 0.71 0.29 -0.54 0.00 0.00 174.62 175.21 3h1j n LYS 78 N -0.58 0.00 0.00 3.99 5.02 0.32 -2.26 118.16 124.65 3h1j n LYS 78 Ca -0.06 0.25 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 3h1j n LYS 78 Cb 0.62 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 34.04 3h1j n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h1j n GLY 79 N -1.21 0.85 2.95 0.72 0.00 -1.26 -5.06 105.19 102.18 3h1j n GLY 79 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 3h1j n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1j s ALA 80 N -0.12 -0.34 0.64 4.61 0.00 -0.96 -5.11 121.76 120.49 3h1j s ALA 80 Ca 0.00 0.76 -0.13 0.00 0.00 0.00 0.00 51.96 52.59 3h1j s ALA 80 Cb 0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 23.12 22.56 3h1j s ALA 80 CO 0.00 -0.21 1.05 -1.54 0.00 0.00 0.00 175.76 175.07 3h1j s SER 81 N 1.30 5.65 0.22 0.00 1.04 -1.26 -0.56 113.70 120.08 3h1j s SER 81 Ca -0.08 1.70 -0.14 0.00 0.48 0.00 0.00 55.95 57.91 3h1j s SER 81 Cb -0.11 -2.51 0.25 0.00 0.10 0.00 0.00 66.02 63.74 3h1j s SER 81 CO -0.07 -1.26 1.61 -1.28 0.98 0.00 0.00 173.24 173.23 3h1j h SER 82 N -0.11 -0.72 0.39 7.02 0.87 -1.80 0.58 113.55 119.78 3h1j h SER 82 Ca -0.45 0.21 -0.01 0.00 -1.23 0.00 0.00 61.79 60.30 3h1j h SER 82 Cb 1.21 0.45 -0.01 0.00 -0.44 0.00 0.00 62.40 63.61 3h1j h SER 82 CO 0.57 -0.24 -0.36 0.15 -0.53 0.00 0.00 176.83 176.43 3h1j h PHE 83 N -0.02 -0.98 -0.25 2.24 3.57 -1.91 -2.88 116.94 116.70 3h1j h PHE 83 Ca 0.32 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.89 3h1j h PHE 83 Cb 0.51 0.38 -0.01 0.00 2.79 0.00 0.00 35.95 39.62 3h1j h PHE 83 CO -0.57 -0.48 0.19 -0.09 -2.23 0.00 0.00 178.31 175.13 3h1j h ARG 84 N -0.73 0.00 0.54 1.11 2.43 -1.76 -0.30 114.38 115.67 3h1j h ARG 84 Ca -0.05 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 3h1j h ARG 84 Cb 0.63 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.18 3h1j h ARG 84 CO -0.03 0.00 -0.26 0.82 -1.51 0.00 0.00 179.97 178.99 3h1j h ILE 85 N 0.00 0.43 -0.15 1.20 2.04 -0.70 0.82 117.51 121.15 3h1j h ILE 85 Ca 0.12 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 3h1j h ILE 85 Cb 0.50 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 3h1j h ILE 85 CO -0.00 0.03 -0.02 0.74 0.00 0.00 0.00 178.15 178.90 3h1j h THR 86 N -0.85 1.27 -0.57 -0.27 2.02 -1.30 -2.18 112.91 111.04 3h1j h THR 86 Ca -0.07 -0.93 -0.03 0.00 0.77 0.00 0.00 66.41 66.15 3h1j h THR 86 Cb 0.61 1.59 -0.03 0.00 -1.74 0.00 0.00 68.15 68.59 3h1j h THR 86 CO 0.12 0.27 0.25 0.03 0.37 0.00 0.00 175.52 176.56 3h1j h ARG 87 N -0.01 0.84 -0.10 6.66 2.47 -1.07 -1.88 114.38 121.28 3h1j h ARG 87 Ca 0.04 -0.14 0.03 0.00 -1.26 0.00 0.00 59.98 58.64 3h1j h ARG 87 Cb 0.43 -0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 28.58 3h1j h ARG 87 CO 0.01 0.71 -0.06 0.78 0.56 0.00 0.00 179.97 181.97 3h1j h GLY 88 N 0.78 0.03 0.81 0.04 0.00 0.72 -0.29 103.07 105.16 3h1j h GLY 88 Ca 0.19 0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 3h1j h GLY 88 CO -0.02 -0.07 -0.08 -2.22 0.00 0.00 0.00 176.54 174.15 3h1j h ILE 89 N -0.06 0.91 -0.01 2.60 2.04 -1.33 -2.83 117.51 118.84 3h1j h ILE 89 Ca 0.06 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.52 3h1j h ILE 89 Cb 0.14 1.16 -0.00 0.00 -0.74 0.00 0.00 36.82 37.38 3h1j h ILE 89 CO -0.14 0.09 0.01 -0.33 0.00 0.00 0.00 178.15 177.79 3h1j h GLU 90 N -0.43 0.00 -0.17 2.37 5.08 -1.26 -1.37 114.58 118.82 3h1j h GLU 90 Ca -0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3h1j h GLU 90 Cb 0.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3h1j h GLU 90 CO 0.04 0.00 0.01 0.00 -1.00 0.00 0.00 179.01 178.06 3h1j h ALA 91 N 1.98 1.72 -0.19 3.43 0.00 -0.78 -2.64 119.26 122.79 3h1j h ALA 91 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3h1j h ALA 91 Cb 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3h1j h ALA 91 CO -0.00 0.22 0.00 1.33 0.00 0.00 0.00 179.25 180.80 3h1j n VAL 92 N -4.41 0.43 -2.46 0.00 0.24 -0.74 -4.96 118.33 106.42 3h1j n VAL 92 Ca -0.00 -0.71 -0.04 0.00 -2.04 0.00 0.00 64.34 61.54 3h1j n VAL 92 Cb 0.16 0.94 0.01 0.00 -1.47 0.00 0.00 33.84 33.48 3h1j n VAL 92 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3h1j n GLY 93 N 0.73 0.53 4.03 7.63 0.00 -0.99 -4.73 105.19 112.38 3h1j n GLY 93 Ca 0.10 -0.60 -0.20 0.00 0.00 0.00 0.00 46.02 45.32 3h1j n GLY 93 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h1j s GLY 94 N -2.98 1.74 0.06 -0.02 0.00 -0.59 -4.65 107.32 100.88 3h1j s GLY 94 Ca 0.06 -2.08 -0.06 0.00 0.00 0.00 0.00 44.72 42.64 3h1j s GLY 94 CO 0.08 -1.63 0.11 -1.35 0.00 0.00 0.00 173.10 170.31 3h1j s SER 95 N -4.65 0.21 -0.03 1.64 1.04 -0.80 -4.47 113.70 106.64 3h1j s SER 95 Ca 0.62 -0.67 -0.00 0.00 0.48 0.00 0.00 55.95 56.38 3h1j s SER 95 Cb -0.06 0.27 0.03 0.00 0.10 0.00 0.00 66.02 66.36 3h1j s SER 95 CO 0.39 -0.62 0.02 -0.22 0.98 0.00 0.00 173.24 173.79 3h1j s LEU 96 N -2.58 0.88 0.04 2.42 2.96 -1.26 -2.52 118.68 118.63 3h1j s LEU 96 Ca 0.01 0.00 -0.03 0.00 -0.22 0.00 0.00 54.13 53.89 3h1j s LEU 96 Cb 0.03 -0.20 -0.02 0.00 0.50 0.00 0.00 46.19 46.50 3h1j s LEU 96 CO -0.08 -0.15 0.03 -0.44 -1.32 0.00 0.00 176.35 174.40 3h1j s SER 97 N 1.36 0.30 -0.08 3.68 0.01 -0.92 -5.03 113.70 113.03 3h1j s SER 97 Ca -0.05 -0.71 -0.01 0.00 1.31 0.00 0.00 55.95 56.49 3h1j s SER 97 Cb -0.13 0.20 0.03 0.00 0.21 0.00 0.00 66.02 66.33 3h1j s SER 97 CO -0.03 -0.52 -0.02 -0.69 0.41 0.00 0.00 173.24 172.39 3h1j s VAL 98 N -2.98 0.55 0.05 3.43 1.01 -1.26 -1.89 120.40 119.30 3h1j s VAL 98 Ca -0.02 0.01 0.07 0.00 0.00 0.00 0.00 61.98 62.05 3h1j s VAL 98 Cb 0.01 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 3h1j s VAL 98 CO -0.06 0.29 -0.19 -0.31 0.00 0.00 0.00 175.10 174.83 3h1j s TYR 99 N 1.87 2.54 -0.18 5.22 1.51 -0.77 -4.96 117.35 122.57 3h1j s TYR 99 Ca 0.04 -0.27 -0.19 0.00 -1.01 0.00 0.00 57.07 55.65 3h1j s TYR 99 Cb -0.12 -1.45 0.05 0.00 -0.11 0.00 0.00 41.96 40.33 3h1j s TYR 99 CO -0.06 0.25 0.52 -1.54 -1.11 0.00 0.00 175.55 173.62 3h1j s SER 100 N -1.48 -0.54 0.56 2.29 1.04 -1.26 0.45 113.70 114.76 3h1j s SER 100 Ca 0.15 1.01 0.07 0.00 0.48 0.00 0.00 55.95 57.65 3h1j s SER 100 Cb -0.10 1.02 0.07 0.00 0.10 0.00 0.00 66.02 67.11 3h1j s SER 100 CO 0.05 -0.21 0.58 0.35 0.98 0.00 0.00 173.24 174.99 3h1j n THR 101 N 2.68 0.00 0.30 2.02 -2.24 0.73 -4.95 114.28 112.81 3h1j n THR 101 Ca -0.14 -2.08 0.17 0.00 -2.27 0.00 0.00 64.05 59.73 3h1j n THR 101 Cb 0.56 -0.23 0.91 0.00 -2.10 0.00 0.00 70.33 69.48 3h1j n THR 101 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3h1j h ARG 102 N 0.00 0.00 0.00 -0.78 -0.00 -1.96 -3.07 114.38 108.57 3h1j h ARG 102 Ca -0.32 0.00 -0.12 0.00 -0.50 0.00 0.00 59.98 59.04 3h1j h ARG 102 Cb 1.26 0.00 -0.24 0.00 0.00 0.00 0.00 29.97 30.99 3h1j h ARG 102 CO 0.48 0.00 -0.74 -0.85 0.00 0.00 0.00 179.97 178.86 3h1j n GLU 103 N -2.79 0.00 -3.68 0.04 0.28 -1.26 -1.67 120.64 111.55 3h1j n GLU 103 Ca -0.02 -1.51 -0.09 0.00 -0.16 0.00 0.00 57.16 55.38 3h1j n GLU 103 Cb 0.19 -0.02 -0.10 0.00 1.43 0.00 0.00 31.44 32.94 3h1j n GLU 103 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 3h1j s LYS 104 N 0.00 0.44 -0.11 3.44 2.20 0.11 -4.30 119.74 121.53 3h1j s LYS 104 Ca 0.19 0.93 0.04 0.00 -0.36 0.00 0.00 55.97 56.77 3h1j s LYS 104 Cb 0.22 0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.63 3h1j s LYS 104 CO -0.10 -0.17 -0.23 -1.64 -0.36 0.00 0.00 175.35 172.85 3h1j s MET 105 N 1.68 2.99 -0.29 4.03 -1.94 -0.98 -0.19 119.30 124.60 3h1j s MET 105 Ca -0.08 -0.86 0.01 0.00 -1.71 0.00 0.00 55.69 53.05 3h1j s MET 105 Cb -0.08 -2.29 0.08 0.00 2.01 0.00 0.00 34.83 34.55 3h1j s MET 105 CO -0.14 0.14 0.02 0.99 -0.01 0.00 0.00 175.02 176.02 3h1j s THR 106 N 0.44 1.59 0.13 2.05 2.01 0.17 -0.33 115.64 121.71 3h1j s THR 106 Ca -0.17 -1.63 -0.19 0.00 0.31 0.00 0.00 61.69 60.01 3h1j s THR 106 Cb -0.17 -2.05 -0.07 0.00 0.01 0.00 0.00 72.50 70.22 3h1j s THR 106 CO 0.07 -0.42 0.62 -0.31 -0.69 0.00 0.00 174.62 173.88 3h1j s TYR 107 N 1.30 3.73 -0.29 4.92 1.51 -0.75 -1.84 117.35 125.93 3h1j s TYR 107 Ca 0.04 1.28 -0.24 0.00 -1.01 0.00 0.00 57.07 57.14 3h1j s TYR 107 Cb -0.18 -2.51 0.15 0.00 -0.11 0.00 0.00 41.96 39.30 3h1j s TYR 107 CO -0.12 0.49 1.19 0.00 -1.11 0.00 0.00 175.55 176.00 3h1j s VAL 109 N 0.30 2.45 -0.28 0.00 -7.23 -0.94 -2.16 120.40 112.54 3h1j s VAL 109 Ca 0.03 -1.23 -0.17 0.00 -1.81 0.00 0.00 61.98 58.80 3h1j s VAL 109 Cb -0.05 -2.68 0.08 0.00 0.56 0.00 0.00 36.38 34.30 3h1j s VAL 109 CO -0.11 0.00 0.72 -0.70 -0.31 0.00 0.00 175.10 174.70 3h1j s GLU 110 N -4.31 0.70 0.23 4.82 2.12 -1.05 -2.62 118.70 118.60 3h1j s GLU 110 Ca 0.50 1.15 -0.22 0.00 0.36 0.00 0.00 54.97 56.75 3h1j s GLU 110 Cb -0.05 0.17 0.04 0.00 0.26 0.00 0.00 34.13 34.55 3h1j s GLU 110 CO 0.30 -0.14 0.82 0.00 -0.54 0.00 0.00 175.26 175.71 3h1j s LEU 112 N -2.94 3.77 0.12 0.00 1.43 -1.26 -1.19 118.68 118.61 3h1j s LEU 112 Ca 0.12 2.75 -0.23 0.00 -1.03 0.00 0.00 54.13 55.74 3h1j s LEU 112 Cb -0.04 -4.36 -0.05 0.00 0.03 0.00 0.00 46.19 41.77 3h1j s LEU 112 CO 0.05 -1.71 1.39 0.03 0.23 0.00 0.00 176.35 176.34 3h1j h ARG 113 N 1.20 -0.01 0.00 1.70 3.08 -1.71 -1.87 114.38 116.78 3h1j h ARG 113 Ca -0.51 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.54 3h1j h ARG 113 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.37 3h1j h ARG 113 CO 0.56 -0.01 0.00 -0.25 -1.07 0.00 0.00 179.97 179.20 3h1j n ASP 114 N -4.64 0.00 0.00 7.04 8.00 -1.26 -1.60 116.55 124.08 3h1j n ASP 114 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 3h1j n ASP 114 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 3h1j n ASP 114 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3h1j n HIS 115 N -0.50 0.00 -0.46 1.24 8.25 -0.70 -4.83 115.22 118.23 3h1j n HIS 115 Ca 0.00 0.00 0.37 0.00 -0.26 0.00 0.00 57.72 57.83 3h1j n HIS 115 Cb 0.00 0.00 0.67 0.00 1.12 0.00 0.00 29.99 31.78 3h1j n HIS 115 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3h1j h VAL 116 N 0.25 0.20 0.90 1.59 2.07 -1.42 0.24 116.25 120.08 3h1j h VAL 116 Ca 0.00 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 3h1j h VAL 116 Cb 0.12 0.08 0.01 0.00 -1.52 0.00 0.00 31.29 29.99 3h1j h VAL 116 CO 0.00 0.02 -0.43 0.44 0.02 0.00 0.00 177.57 177.61 3h1j h ASP 117 N 0.10 -1.03 -0.88 0.57 3.32 -1.88 -0.93 116.42 115.69 3h1j h ASP 117 Ca 0.78 0.04 0.08 0.00 0.02 0.00 0.00 57.03 57.94 3h1j h ASP 117 Cb 2.59 0.27 -0.11 0.00 0.22 0.00 0.00 39.33 42.29 3h1j h ASP 117 CO -0.28 -0.69 -0.56 0.74 -1.72 0.00 0.00 179.24 176.73 3h1j h THR 118 N -1.31 0.00 0.00 0.35 2.02 -1.32 0.15 112.91 112.80 3h1j h THR 118 Ca -0.12 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.06 3h1j h THR 118 Cb 0.93 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.34 3h1j h THR 118 CO 0.20 0.00 0.00 -0.37 0.37 0.00 0.00 175.52 175.72 3h1j h VAL 119 N -0.05 0.00 -0.12 3.16 -1.51 -1.50 -3.19 116.25 113.04 3h1j h VAL 119 Ca 0.14 -0.37 -0.02 0.00 -1.23 0.00 0.00 66.70 65.23 3h1j h VAL 119 Cb 0.42 1.37 -0.00 0.00 -2.13 0.00 0.00 31.29 30.94 3h1j h VAL 119 CO -0.86 0.00 0.01 -0.03 -1.23 0.00 0.00 177.57 175.46 3h1j h MET 120 N 0.00 0.20 -0.69 5.19 -1.53 0.77 -1.87 114.93 116.99 3h1j h MET 120 Ca 0.00 -0.06 0.14 0.00 -3.44 0.00 0.00 59.70 56.34 3h1j h MET 120 Cb 0.37 -0.02 -0.10 0.00 -0.55 0.00 0.00 31.60 31.30 3h1j h MET 120 CO 0.00 0.42 0.19 1.49 0.14 0.00 0.00 176.91 179.15 3h1j h GLU 121 N -0.05 0.30 -0.43 0.39 4.81 -1.50 0.57 114.58 118.66 3h1j h GLU 121 Ca 0.03 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.17 3h1j h GLU 121 Cb 0.32 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 3h1j h GLU 121 CO 0.00 0.20 -0.04 1.88 -0.73 0.00 0.00 179.01 180.32 3h1j h TYR 122 N 0.30 0.88 -0.24 0.92 0.99 -1.66 0.44 116.97 118.59 3h1j h TYR 122 Ca 0.38 -0.17 -0.01 0.00 2.00 0.00 0.00 58.73 60.93 3h1j h TYR 122 Cb 0.60 -0.22 -0.01 0.00 1.00 0.00 0.00 36.73 38.10 3h1j h TYR 122 CO -0.24 0.88 0.13 1.25 -0.00 0.00 0.00 178.16 180.18 3h1j h LEU 123 N 0.63 0.31 0.62 3.88 5.85 -0.26 -0.43 115.31 125.90 3h1j h LEU 123 Ca 0.12 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 3h1j h LEU 123 Cb 0.55 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.51 3h1j h LEU 123 CO 0.03 0.32 -0.34 0.25 -0.34 0.00 0.00 178.44 178.37 3h1j h LEU 124 N 0.27 -0.82 -0.89 2.25 5.85 0.23 -2.40 115.31 119.79 3h1j h LEU 124 Ca 0.09 0.04 0.25 0.00 0.84 0.00 0.00 57.88 59.09 3h1j h LEU 124 Cb 0.09 0.23 -0.15 0.00 0.37 0.00 0.00 40.66 41.20 3h1j h LEU 124 CO -0.01 -0.54 0.24 0.78 -0.34 0.00 0.00 178.44 178.56 3h1j h ASN 125 N -0.88 -0.01 -0.34 1.25 2.35 -0.09 -0.15 115.58 117.70 3h1j h ASN 125 Ca -0.08 0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 3h1j h ASN 125 Cb 0.69 0.28 -0.02 0.00 0.05 0.00 0.00 38.32 39.32 3h1j h ASN 125 CO 0.11 -0.18 0.19 0.58 -1.65 0.00 0.00 177.43 176.48 3h1j h VAL 126 N 0.19 1.14 0.00 2.81 2.07 -0.95 0.65 116.25 122.16 3h1j h VAL 126 Ca 0.57 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.71 3h1j h VAL 126 Cb 1.17 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 3h1j h VAL 126 CO -0.68 0.15 -0.28 0.71 0.02 0.00 0.00 177.57 177.49 3h1j h THR 127 N 0.43 0.00 0.00 2.57 1.35 -0.73 -3.37 112.91 113.15 3h1j h THR 127 Ca 0.12 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 3h1j h THR 127 Cb 0.07 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 67.81 3h1j h THR 127 CO -0.02 0.00 -0.34 0.35 -0.25 0.00 0.00 175.52 175.27 3h1j n THR 128 N -2.24 0.00 -1.63 6.82 -2.24 -0.18 -4.86 114.28 109.95 3h1j n THR 128 Ca 0.04 -0.06 -0.03 0.00 -2.27 0.00 0.00 64.05 61.73 3h1j n THR 128 Cb 0.44 0.44 0.17 0.00 -2.10 0.00 0.00 70.33 69.28 3h1j n THR 128 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h1j n ALA 129 N -0.63 4.14 -1.54 6.98 0.00 0.23 -4.83 120.51 124.86 3h1j n ALA 129 Ca 0.00 -3.35 -0.35 0.00 0.00 0.00 0.00 53.44 49.74 3h1j n ALA 129 Cb 0.00 -0.49 0.06 0.00 0.00 0.00 0.00 19.45 19.03 3h1j n ALA 129 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3h1j s PRO 130 N -3.32 2.55 -0.05 0.00 0.04 -1.19 0.12 135.00 133.15 3h1j s PRO 130 Ca 0.43 1.74 0.05 0.00 0.04 0.00 0.00 61.00 63.26 3h1j s PRO 130 Cb 0.39 -1.89 -0.08 0.00 0.04 0.00 0.00 34.50 32.97 3h1j s PRO 130 CO -0.03 -1.52 0.04 0.39 0.04 0.00 0.00 177.00 175.92 3h1j n GLU 131 N -2.24 2.53 -3.73 4.56 1.02 -1.08 -4.63 120.64 117.06 3h1j n GLU 131 Ca 0.13 -0.01 -0.33 0.00 -0.02 0.00 0.00 57.16 56.93 3h1j n GLU 131 Cb 0.50 -1.15 0.04 0.00 -0.02 0.00 0.00 31.44 30.81 3h1j n GLU 131 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 3h1j n PHE 132 N -2.13 -1.86 -2.08 -0.32 0.99 -1.26 -4.84 117.46 105.97 3h1j n PHE 132 Ca -0.08 0.42 -0.42 0.00 -0.00 0.00 0.00 57.45 57.36 3h1j n PHE 132 Cb 0.60 -3.32 -0.03 0.00 -1.00 0.00 0.00 39.48 35.73 3h1j n PHE 132 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 3h1j s ARG 133 N -6.09 4.21 0.16 -1.08 0.52 -1.26 -4.82 118.95 110.59 3h1j s ARG 133 Ca 0.45 2.12 -0.10 0.00 -0.52 0.00 0.00 55.73 57.68 3h1j s ARG 133 Cb -0.18 -3.81 0.19 0.00 0.52 0.00 0.00 34.95 31.67 3h1j s ARG 133 CO 0.88 -0.76 1.00 -2.30 0.02 0.00 0.00 175.30 174.14 3h1j n PRO 134 N 6.45 -0.13 0.23 3.54 -0.02 -1.26 -0.73 135.00 143.08 3h1j n PRO 134 Ca 0.16 0.99 -0.14 0.00 -2.02 0.00 0.00 63.50 62.49 3h1j n PRO 134 Cb 0.43 -1.48 -0.08 0.00 -0.02 0.00 0.00 33.50 32.35 3h1j n PRO 134 CO 0.00 0.00 0.00 0.11 1.98 0.00 0.00 175.50 177.59 3h1j h TRP 135 N 0.00 -0.55 -1.04 6.00 0.09 -1.99 0.44 115.95 118.89 3h1j h TRP 135 Ca 0.24 -0.01 0.27 0.00 0.09 0.00 0.00 58.89 59.48 3h1j h TRP 135 Cb 0.40 0.18 -0.10 0.00 0.08 0.00 0.00 29.16 29.73 3h1j h TRP 135 CO -0.55 -0.24 0.67 0.93 0.09 0.00 0.00 178.44 179.34 3h1j h GLU 136 N -0.84 0.39 0.36 0.12 5.08 -1.32 0.69 114.58 119.06 3h1j h GLU 136 Ca -0.06 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 3h1j h GLU 136 Cb 0.56 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.73 3h1j h GLU 136 CO 0.10 0.26 -0.17 0.28 -1.00 0.00 0.00 179.01 178.48 3h1j h VAL 137 N 0.41 0.00 -0.50 3.13 2.07 -0.60 -2.75 116.25 118.01 3h1j h VAL 137 Ca 0.61 -0.43 0.13 0.00 0.82 0.00 0.00 66.70 67.83 3h1j h VAL 137 Cb 1.50 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.25 3h1j h VAL 137 CO -0.32 0.00 0.35 0.71 0.02 0.00 0.00 177.57 178.33 3h1j h THR 138 N -0.91 0.79 -0.19 2.57 1.35 -0.49 0.43 112.91 116.46 3h1j h THR 138 Ca -0.05 -0.03 -0.06 0.00 -0.55 0.00 0.00 66.41 65.72 3h1j h THR 138 Cb 0.37 0.70 -0.01 0.00 -1.73 0.00 0.00 68.15 67.47 3h1j h THR 138 CO 0.08 0.02 -0.13 0.44 -0.25 0.00 0.00 175.52 175.67 3h1j h ASP 139 N 0.08 0.30 0.22 5.36 3.32 -0.90 -3.19 116.42 121.62 3h1j h ASP 139 Ca 0.24 -0.07 -0.30 0.00 0.02 0.00 0.00 57.03 56.92 3h1j h ASP 139 Cb 0.83 -0.08 0.03 0.00 0.22 0.00 0.00 39.33 40.34 3h1j h ASP 139 CO -0.02 0.46 -1.31 0.25 -1.72 0.00 0.00 179.24 176.90 3h1j h LEU 140 N 0.29 0.74 -1.23 1.55 5.85 0.14 -3.37 115.31 119.29 3h1j h LEU 140 Ca 0.06 -0.93 0.27 0.00 0.84 0.00 0.00 57.88 58.12 3h1j h LEU 140 Cb 0.42 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 3h1j h LEU 140 CO 0.02 1.63 1.09 1.56 -0.34 0.00 0.00 178.44 182.40 3h1j h GLN 141 N 0.00 0.00 0.00 1.25 4.20 -1.31 0.60 115.11 119.85 3h1j h GLN 141 Ca -0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.48 3h1j h GLN 141 Cb 2.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.81 3h1j h GLN 141 CO 0.24 0.00 0.00 -2.30 -0.67 0.00 0.00 178.83 176.10 3h1j n PRO 142 N -3.33 0.13 0.17 1.46 -0.02 -1.26 -2.09 135.00 130.05 3h1j n PRO 142 Ca 0.21 0.34 0.02 0.00 -2.02 0.00 0.00 63.50 62.04 3h1j n PRO 142 Cb 1.38 -1.74 0.33 0.00 -0.02 0.00 0.00 33.50 33.45 3h1j n PRO 142 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3h1j h GLN 143 N 0.00 0.05 -0.35 -0.52 5.75 -0.09 -1.69 115.11 118.26 3h1j h GLN 143 Ca 0.00 -0.02 0.05 0.00 -0.15 0.00 0.00 58.65 58.54 3h1j h GLN 143 Cb 0.36 -0.00 -0.05 0.00 1.07 0.00 0.00 27.48 28.86 3h1j h GLN 143 CO 0.00 0.42 0.05 -0.07 -2.65 0.00 0.00 178.83 176.58 3h1j h LEU 144 N 0.04 -0.03 -0.50 -2.39 3.38 -1.59 1.35 115.31 115.58 3h1j h LEU 144 Ca 0.00 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.11 3h1j h LEU 144 Cb 0.69 0.10 -0.10 0.00 0.09 0.00 0.00 40.66 41.44 3h1j h LEU 144 CO 0.05 0.02 -0.46 0.50 0.09 0.00 0.00 178.44 178.64 3h1j h LYS 145 N 0.16 -0.28 0.64 1.13 1.63 -1.43 -0.27 116.57 118.16 3h1j h LYS 145 Ca 0.17 0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.95 3h1j h LYS 145 Cb 0.20 0.06 0.01 0.00 -0.60 0.00 0.00 32.23 31.90 3h1j h LYS 145 CO -0.24 -0.18 -0.31 0.28 -3.45 0.00 0.00 179.45 175.55 3h1j h VAL 146 N -0.29 0.00 -0.97 2.00 2.07 -0.97 -2.52 116.25 115.57 3h1j h VAL 146 Ca 0.15 -0.35 0.33 0.00 0.82 0.00 0.00 66.70 67.65 3h1j h VAL 146 Cb 0.57 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.18 3h1j h VAL 146 CO -0.64 0.00 0.33 -0.78 0.02 0.00 0.00 177.57 176.51 3h1j h ASP 147 N -1.20 0.05 0.01 0.57 3.58 0.19 0.31 116.42 119.93 3h1j h ASP 147 Ca -0.09 0.24 -0.00 0.00 0.42 0.00 0.00 57.03 57.61 3h1j h ASP 147 Cb 0.66 0.31 0.00 0.00 1.72 0.00 0.00 39.33 42.02 3h1j h ASP 147 CO 0.14 -0.31 -0.01 0.50 -2.88 0.00 0.00 179.24 176.68 3h1j h LYS 148 N 0.09 -0.02 -0.89 0.28 3.64 -1.04 -2.79 116.57 115.85 3h1j h LYS 148 Ca 0.70 0.00 0.19 0.00 -1.27 0.00 0.00 60.65 60.27 3h1j h LYS 148 Cb 1.64 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 33.35 3h1j h LYS 148 CO -0.77 0.29 0.43 0.00 -2.27 0.00 0.00 179.45 177.13 3h1j h ALA 149 N 0.66 1.40 0.03 5.00 0.00 0.06 -0.24 119.26 126.18 3h1j h ALA 149 Ca -0.00 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3h1j h ALA 149 Cb 0.31 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.17 3h1j h ALA 149 CO 0.00 -0.23 -0.02 -0.39 0.00 0.00 0.00 179.25 178.61 3h1j h VAL 150 N 0.51 1.37 -0.49 0.00 -1.51 -1.45 -3.17 116.25 111.50 3h1j h VAL 150 Ca 0.53 -1.37 0.10 0.00 -1.23 0.00 0.00 66.70 64.73 3h1j h VAL 150 Cb 0.91 2.26 -0.10 0.00 -2.13 0.00 0.00 31.29 32.24 3h1j h VAL 150 CO -0.46 0.34 -0.14 0.00 -1.23 0.00 0.00 177.57 176.08 3h1j h ALA 151 N 0.26 0.30 0.00 5.19 0.00 -1.15 0.19 119.26 124.04 3h1j h ALA 151 Ca -0.00 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3h1j h ALA 151 Cb 0.60 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3h1j h ALA 151 CO 0.01 -0.46 0.00 1.19 0.00 0.00 0.00 179.25 179.99 3h1j n PHE 152 N -5.37 0.00 0.21 0.00 3.01 -0.14 -2.81 117.46 112.36 3h1j n PHE 152 Ca 0.04 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.58 3h1j n PHE 152 Cb 0.27 0.00 0.47 0.00 -0.01 0.00 0.00 39.48 40.22 3h1j n PHE 152 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 3h1j h GLN 153 N 0.00 0.00 -4.47 -1.08 4.20 -0.59 -3.40 115.11 109.77 3h1j h GLN 153 Ca 0.00 0.00 -0.72 0.00 0.06 0.00 0.00 58.65 57.99 3h1j h GLN 153 Cb 0.00 0.00 -0.23 0.00 0.30 0.00 0.00 27.48 27.55 3h1j h GLN 153 CO 0.00 0.28 -0.44 -1.54 -0.67 0.00 0.00 178.83 176.46 3h1j s SER 154 N -6.44 5.96 0.50 1.46 1.04 -1.13 -4.94 113.70 110.15 3h1j s SER 154 Ca -0.01 -1.10 0.36 0.00 0.48 0.00 0.00 55.95 55.68 3h1j s SER 154 Cb 0.12 -2.11 1.51 0.00 0.10 0.00 0.00 66.02 65.65 3h1j s SER 154 CO 0.66 -0.49 1.68 -0.65 0.98 0.00 0.00 173.24 175.43 3h1j h PRO 155 N 8.58 0.07 -0.91 4.02 0.11 -1.90 0.28 132.00 142.26 3h1j h PRO 155 Ca -0.26 -0.00 0.20 0.00 0.11 0.00 0.00 66.00 66.04 3h1j h PRO 155 Cb 1.11 -0.02 -0.17 0.00 0.11 0.00 0.00 31.00 32.03 3h1j h PRO 155 CO 0.75 0.05 -0.15 0.94 -0.21 0.00 0.00 178.00 179.38 3h1j n GLN 156 N -4.32 -0.08 0.03 1.05 7.27 -1.26 -1.29 117.38 118.78 3h1j n GLN 156 Ca 0.34 1.40 -0.20 0.00 0.07 0.00 0.00 57.00 58.61 3h1j n GLN 156 Cb 1.47 -2.13 -0.11 0.00 2.41 0.00 0.00 30.24 31.89 3h1j n GLN 156 CO 0.00 0.00 0.00 -0.24 0.07 0.00 0.00 177.06 176.89 3h1j h VAL 157 N 0.00 1.31 -0.01 1.69 3.04 -0.75 -3.22 116.25 118.31 3h1j h VAL 157 Ca 0.47 -2.20 0.03 0.00 -1.01 0.00 0.00 66.70 63.99 3h1j h VAL 157 Cb 0.81 2.42 -0.04 0.00 -2.01 0.00 0.00 31.29 32.46 3h1j h VAL 157 CO -0.91 0.67 -0.22 1.23 -1.01 0.00 0.00 177.57 177.34 3h1j h GLY 158 N 0.30 -0.30 0.99 3.17 0.00 -1.27 -2.39 103.07 103.55 3h1j h GLY 158 Ca -0.12 0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 3h1j h GLY 158 CO 0.19 -0.19 0.30 -0.39 0.00 0.00 0.00 176.54 176.44 3h1j h VAL 159 N -0.34 1.17 -0.24 4.60 -1.51 -1.62 -2.56 116.25 115.75 3h1j h VAL 159 Ca 0.06 -0.42 0.03 0.00 -1.23 0.00 0.00 66.70 65.14 3h1j h VAL 159 Cb 0.43 0.50 -0.01 0.00 -2.13 0.00 0.00 31.29 30.07 3h1j h VAL 159 CO -0.21 0.18 0.16 -0.07 -1.23 0.00 0.00 177.57 176.40 3h1j h LEU 160 N 0.70 0.19 0.32 4.19 3.38 -1.52 0.56 115.31 123.12 3h1j h LEU 160 Ca 0.19 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3h1j h LEU 160 Cb 0.03 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3h1j h LEU 160 CO -0.03 0.13 -0.15 -0.33 0.09 0.00 0.00 178.44 178.15 3h1j h GLU 161 N 0.22 -0.41 -0.84 1.13 4.39 -1.03 -2.36 114.58 115.68 3h1j h GLU 161 Ca 0.10 0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.84 3h1j h GLU 161 Cb 0.13 0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.83 3h1j h GLU 161 CO -0.02 -0.17 0.55 -0.91 -1.16 0.00 0.00 179.01 177.30 3h1j h ASN 162 N -0.59 0.95 0.10 1.42 2.35 -1.04 -2.38 115.58 116.39 3h1j h ASN 162 Ca -0.04 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3h1j h ASN 162 Cb 0.43 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 3h1j h ASN 162 CO 0.07 0.69 -0.14 0.25 -1.65 0.00 0.00 177.43 176.65 3h1j h LEU 163 N 1.13 -0.39 -1.31 1.61 5.85 0.29 0.13 115.31 122.61 3h1j h LEU 163 Ca 0.31 0.04 0.36 0.00 0.84 0.00 0.00 57.88 59.43 3h1j h LEU 163 Cb -0.12 0.13 -0.12 0.00 0.37 0.00 0.00 40.66 40.92 3h1j h LEU 163 CO -0.07 -0.17 0.74 0.45 -0.34 0.00 0.00 178.44 179.05 3h1j h HIS 164 N -0.24 0.64 -0.85 1.25 3.86 -1.30 0.80 115.15 119.31 3h1j h HIS 164 Ca -0.01 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.19 3h1j h HIS 164 Cb 0.22 -0.17 -0.04 0.00 1.06 0.00 0.00 27.41 28.48 3h1j h HIS 164 CO -0.20 -0.13 0.41 0.00 0.86 0.00 0.00 177.93 178.88 3h1j h ALA 165 N 1.66 1.12 0.11 2.45 0.00 -0.72 -1.13 119.26 122.75 3h1j h ALA 165 Ca 0.74 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 55.30 3h1j h ALA 165 Cb 2.09 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 19.55 3h1j h ALA 165 CO -0.42 0.67 -0.87 0.00 0.00 0.00 0.00 179.25 178.62 3h1j h ALA 166 N 1.23 0.01 -0.70 0.00 0.00 0.22 -3.35 119.26 116.67 3h1j h ALA 166 Ca 0.29 -0.79 0.09 0.00 0.00 0.00 0.00 54.91 54.51 3h1j h ALA 166 Cb 0.11 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.07 3h1j h ALA 166 CO -0.04 0.45 0.46 0.00 0.00 0.00 0.00 179.25 180.13 3h1j h ALA 167 N 0.01 1.87 -1.20 0.00 0.00 0.33 0.46 119.26 120.74 3h1j h ALA 167 Ca -0.17 -0.01 -0.60 0.00 0.00 0.00 0.00 54.91 54.12 3h1j h ALA 167 Cb 1.56 -0.13 -0.13 0.00 0.00 0.00 0.00 17.79 19.09 3h1j h ALA 167 CO 0.09 -0.02 -0.54 0.71 0.00 0.00 0.00 179.25 179.49 3h1j s TYR 168 N -5.55 1.94 -0.03 0.00 1.51 -0.43 -1.44 117.35 113.35 3h1j s TYR 168 Ca -0.09 -1.03 0.07 0.00 -1.01 0.00 0.00 57.07 55.01 3h1j s TYR 168 Cb 0.20 -1.43 -0.11 0.00 -0.11 0.00 0.00 41.96 40.51 3h1j s TYR 168 CO 0.77 0.05 0.13 1.63 -1.11 0.00 0.00 175.55 177.01 3h1j n LYS 169 N -1.03 0.93 -3.25 -0.62 5.02 -0.41 -4.51 118.16 114.29 3h1j n LYS 169 Ca -0.11 -0.05 -0.09 0.00 -2.02 0.00 0.00 58.31 56.04 3h1j n LYS 169 Cb 0.66 -1.18 -0.01 0.00 -0.02 0.00 0.00 35.03 34.49 3h1j n LYS 169 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3h1j n THR 170 N -1.89 0.00 0.00 -0.18 -2.24 -1.26 -4.88 114.28 103.83 3h1j n THR 170 Ca -0.04 -1.13 0.00 0.00 -2.27 0.00 0.00 64.05 60.61 3h1j n THR 170 Cb 0.34 0.79 0.00 0.00 -2.10 0.00 0.00 70.33 69.35 3h1j n THR 170 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3h1j n ALA 171 N -1.26 0.00 1.39 6.98 0.00 -1.26 0.25 120.51 126.60 3h1j n ALA 171 Ca -0.11 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.47 3h1j n ALA 171 Cb 0.44 0.00 0.74 0.00 0.00 0.00 0.00 19.45 20.62 3h1j n ALA 171 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3h1j n LEU 172 N 0.00 0.00 -0.01 0.00 4.77 -1.26 -2.71 117.00 117.79 3h1j n LEU 172 Ca 0.00 0.28 0.13 0.00 -0.03 0.00 0.00 56.01 56.39 3h1j n LEU 172 Cb 0.00 -0.28 0.46 0.00 -2.33 0.00 0.00 43.42 41.27 3h1j n LEU 172 CO 0.00 -0.01 0.74 0.00 -1.33 0.00 0.00 177.39 176.79 3h1j n ALA 173 N -1.28 2.88 -1.82 -1.18 0.00 0.14 -4.67 120.51 114.59 3h1j n ALA 173 Ca 0.14 -0.22 -0.40 0.00 0.00 0.00 0.00 53.44 52.96 3h1j n ALA 173 Cb 0.23 -1.31 -0.04 0.00 0.00 0.00 0.00 19.45 18.33 3h1j n ALA 173 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3h1j s ASN 174 N -2.96 7.22 0.74 0.00 0.01 -1.10 -4.20 114.94 114.66 3h1j s ASN 174 Ca 0.14 2.27 -0.13 0.00 -0.71 0.00 0.00 52.86 54.43 3h1j s ASN 174 Cb 0.18 -2.62 0.04 0.00 0.41 0.00 0.00 41.25 39.26 3h1j s ASN 174 CO 0.60 -0.19 1.13 -2.16 -1.51 0.00 0.00 177.10 174.96 3h1j s PRO 175 N -1.24 2.29 0.22 -0.60 0.04 -1.26 -4.87 135.00 129.57 3h1j s PRO 175 Ca 0.46 1.41 0.23 0.00 0.04 0.00 0.00 61.00 63.14 3h1j s PRO 175 Cb -0.32 -1.89 0.18 0.00 0.04 0.00 0.00 34.50 32.51 3h1j s PRO 175 CO 0.41 -1.65 1.24 1.25 0.04 0.00 0.00 177.00 178.29 3h1j h LEU 176 N -0.62 0.00 -8.46 -3.56 5.85 -1.95 -3.44 115.31 103.13 3h1j h LEU 176 Ca -0.45 -0.06 -0.66 0.00 0.84 0.00 0.00 57.88 57.54 3h1j h LEU 176 Cb 1.25 0.00 -0.29 0.00 0.37 0.00 0.00 40.66 41.99 3h1j h LEU 176 CO 0.51 0.03 -0.78 -0.31 -0.34 0.00 0.00 178.44 177.55 3h1j s TYR 177 N -3.27 2.82 -0.08 1.25 1.51 -1.26 -4.66 117.35 113.66 3h1j s TYR 177 Ca 0.03 -0.90 -0.40 0.00 -1.01 0.00 0.00 57.07 54.79 3h1j s TYR 177 Cb 0.10 -1.90 -0.19 0.00 -0.11 0.00 0.00 41.96 39.86 3h1j s TYR 177 CO 0.75 -0.40 1.26 0.00 -1.11 0.00 0.00 175.55 176.05 3h1j n PRO 179 N 2.40 1.28 0.08 0.00 -0.04 -1.26 -4.86 135.00 132.60 3h1j n PRO 179 Ca 0.22 0.49 -0.14 0.00 -0.04 0.00 0.00 63.50 64.03 3h1j n PRO 179 Cb 0.09 -2.53 -0.07 0.00 -0.04 0.00 0.00 33.50 30.94 3h1j n PRO 179 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3h1j h ASP 180 N 0.80 -1.25 -0.08 3.54 3.32 -1.98 -2.13 116.42 118.64 3h1j h ASP 180 Ca -0.51 0.15 0.02 0.00 0.02 0.00 0.00 57.03 56.71 3h1j h ASP 180 Cb 1.33 0.48 -0.00 0.00 0.22 0.00 0.00 39.33 41.36 3h1j h ASP 180 CO 0.54 -0.47 0.47 0.10 -1.72 0.00 0.00 179.24 178.16 3h1j h TYR 181 N -0.60 0.00 -0.03 4.55 -0.00 -2.02 0.27 116.97 119.14 3h1j h TYR 181 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.77 3h1j h TYR 181 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.39 3h1j h TYR 181 CO -0.40 0.00 -0.10 0.54 -0.00 0.00 0.00 178.16 178.20 3h1j n ARG 182 N -2.94 2.05 -1.90 0.10 1.74 -0.81 -4.79 116.66 110.11 3h1j n ARG 182 Ca 0.00 -1.67 -0.42 0.00 -0.77 0.00 0.00 57.85 54.98 3h1j n ARG 182 Cb 0.53 -1.47 -0.03 0.00 -1.02 0.00 0.00 32.46 30.48 3h1j n ARG 182 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3h1j s ILE 183 N -2.10 3.40 0.00 0.55 -1.09 0.94 -1.47 121.20 121.43 3h1j s ILE 183 Ca 0.27 0.46 0.00 0.00 -2.23 0.00 0.00 60.65 59.15 3h1j s ILE 183 Cb 0.20 -3.35 0.00 0.00 -1.58 0.00 0.00 42.46 37.72 3h1j s ILE 183 CO 0.36 -0.10 0.00 0.61 -1.23 0.00 0.00 174.94 174.58 3h1j n GLY 184 N 4.58 0.58 0.57 6.18 0.00 -1.26 -4.92 105.19 110.92 3h1j n GLY 184 Ca 0.20 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.27 3h1j n GLY 184 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3h1j n LYS 185 N -2.00 2.88 -3.00 1.61 5.02 -0.54 -4.94 118.16 117.19 3h1j n LYS 185 Ca 0.00 -2.04 -0.42 0.00 -2.02 0.00 0.00 58.31 53.83 3h1j n LYS 185 Cb 0.00 -1.28 -0.05 0.00 -0.02 0.00 0.00 35.03 33.68 3h1j n LYS 185 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3h1j s ILE 186 N -1.14 4.83 0.54 -0.18 1.01 -1.25 -5.05 121.20 119.95 3h1j s ILE 186 Ca 0.22 1.01 -0.06 0.00 0.00 0.00 0.00 60.65 61.82 3h1j s ILE 186 Cb 0.12 -4.12 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 3h1j s ILE 186 CO 0.13 -0.26 0.85 0.42 0.00 0.00 0.00 174.94 176.08 3h1j s THR 187 N 2.88 4.30 0.33 2.92 -4.23 -1.26 -4.93 115.64 115.65 3h1j s THR 187 Ca 0.30 0.14 0.03 0.00 -1.18 0.00 0.00 61.69 60.97 3h1j s THR 187 Cb -0.14 -3.67 0.17 0.00 1.34 0.00 0.00 72.50 70.20 3h1j s THR 187 CO 0.13 -0.68 1.88 0.28 -0.54 0.00 0.00 174.62 175.69 3h1j h SER 188 N 0.01 0.57 0.01 3.99 0.02 -1.95 -2.29 113.55 113.91 3h1j h SER 188 Ca -0.46 -0.10 0.02 0.00 -0.84 0.00 0.00 61.79 60.41 3h1j h SER 188 Cb 1.23 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 63.59 3h1j h SER 188 CO 0.61 0.59 -0.13 -0.33 -1.14 0.00 0.00 176.83 176.43 3h1j h GLU 189 N 0.59 -0.22 -0.80 3.45 3.07 -1.94 0.72 114.58 119.46 3h1j h GLU 189 Ca 0.13 0.01 0.11 0.00 -0.50 0.00 0.00 59.36 59.11 3h1j h GLU 189 Cb 0.28 0.05 -0.08 0.00 -0.84 0.00 0.00 28.75 28.16 3h1j h GLU 189 CO 0.00 -0.15 0.43 1.96 -1.40 0.00 0.00 179.01 179.85 3h1j h GLN 190 N -0.23 0.67 -0.02 2.33 4.20 -1.82 0.25 115.11 120.49 3h1j h GLN 190 Ca 0.04 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 3h1j h GLN 190 Cb 0.28 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 27.91 3h1j h GLN 190 CO -0.12 0.44 0.01 -0.07 -0.67 0.00 0.00 178.83 178.42 3h1j h LEU 191 N 0.69 0.02 0.75 1.46 3.38 -0.78 -0.42 115.31 120.42 3h1j h LEU 191 Ca 0.40 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.22 3h1j h LEU 191 Cb 0.43 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 3h1j h LEU 191 CO -0.28 0.13 -0.43 0.45 0.09 0.00 0.00 178.44 178.40 3h1j h HIS 192 N -0.09 -1.12 -0.94 1.13 3.86 0.16 -1.84 115.15 116.31 3h1j h HIS 192 Ca 0.01 -0.02 0.18 0.00 -1.16 0.00 0.00 60.37 59.38 3h1j h HIS 192 Cb 0.11 0.39 -0.08 0.00 1.06 0.00 0.00 27.41 28.89 3h1j h HIS 192 CO -0.04 -0.66 0.60 0.45 0.86 0.00 0.00 177.93 179.14 3h1j h HIS 193 N -1.10 0.82 -0.02 2.45 3.86 -0.56 0.23 115.15 120.84 3h1j h HIS 193 Ca -0.10 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 3h1j h HIS 193 Cb 0.87 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 29.09 3h1j h HIS 193 CO -0.07 0.24 0.01 0.35 0.86 0.00 0.00 177.93 179.32 3h1j h PHE 194 N 0.64 0.02 -0.06 2.45 3.57 -0.68 0.81 116.94 123.69 3h1j h PHE 194 Ca 0.50 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 62.00 3h1j h PHE 194 Cb 0.91 -0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.64 3h1j h PHE 194 CO -0.00 0.03 0.04 0.28 -2.23 0.00 0.00 178.31 176.42 3h1j h VAL 195 N 0.01 1.06 -0.45 1.41 2.07 -0.10 -1.60 116.25 118.64 3h1j h VAL 195 Ca 0.01 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 67.40 3h1j h VAL 195 Cb 0.01 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 3h1j h VAL 195 CO -0.00 0.05 0.20 1.56 0.02 0.00 0.00 177.57 179.40 3h1j h GLN 196 N 0.03 0.39 -0.00 1.57 4.20 -0.50 0.66 115.11 121.46 3h1j h GLN 196 Ca 0.02 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3h1j h GLN 196 Cb 0.05 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.75 3h1j h GLN 196 CO -0.00 0.26 -0.03 0.09 -0.67 0.00 0.00 178.83 178.47 3h1j n ASN 197 N -4.94 0.08 0.00 1.46 3.02 0.26 -4.44 115.26 110.71 3h1j n ASN 197 Ca 0.03 -0.08 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 3h1j n ASN 197 Cb 0.14 -0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.03 3h1j n ASN 197 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3h1j n ASN 198 N -1.29 1.71 -3.45 6.41 3.02 -0.61 -0.88 115.26 120.17 3h1j n ASN 198 Ca 0.13 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.28 3h1j n ASN 198 Cb 0.27 0.09 -0.02 0.00 -0.61 0.00 0.00 39.78 39.52 3h1j n ASN 198 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3h1j n PHE 199 N -1.49 2.64 -3.76 3.10 3.01 0.23 -4.70 117.46 116.48 3h1j n PHE 199 Ca 0.00 -2.98 -0.35 0.00 1.01 0.00 0.00 57.45 55.12 3h1j n PHE 199 Cb 0.19 -2.28 -0.05 0.00 -0.01 0.00 0.00 39.48 37.33 3h1j n PHE 199 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3h1j s THR 200 N 1.21 5.32 0.51 4.37 -4.23 -1.26 -4.52 115.64 117.03 3h1j s THR 200 Ca 0.61 0.24 0.37 0.00 -1.18 0.00 0.00 61.69 61.72 3h1j s THR 200 Cb 0.17 -3.55 0.57 0.00 1.34 0.00 0.00 72.50 71.03 3h1j s THR 200 CO -0.07 0.44 1.71 0.77 -0.54 0.00 0.00 174.62 176.93 3h1j h SER 201 N 4.26 0.10 0.73 3.99 4.64 -0.95 0.49 113.55 126.82 3h1j h SER 201 Ca -0.51 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3h1j h SER 201 Cb 1.21 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3h1j h SER 201 CO 0.64 -0.02 -0.15 0.00 -0.87 0.00 0.00 176.83 176.43 3h1j n ALA 202 N -2.72 2.74 0.05 5.18 0.00 -1.25 -1.95 120.51 122.55 3h1j n ALA 202 Ca 0.32 -0.20 0.05 0.00 0.00 0.00 0.00 53.44 53.62 3h1j n ALA 202 Cb 1.43 -1.36 0.10 0.00 0.00 0.00 0.00 19.45 19.62 3h1j n ALA 202 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3h1j n ARG 203 N -1.39 1.96 -4.27 0.00 1.74 0.17 -4.89 116.66 109.98 3h1j n ARG 203 Ca 0.08 -1.66 -0.27 0.00 -0.77 0.00 0.00 57.85 55.24 3h1j n ARG 203 Cb 0.32 -1.22 -0.09 0.00 -1.02 0.00 0.00 32.46 30.45 3h1j n ARG 203 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3h1j s MET 204 N -0.93 2.13 -0.09 5.56 -1.94 -0.90 -0.68 119.30 122.44 3h1j s MET 204 Ca 0.17 -1.24 -0.04 0.00 -1.71 0.00 0.00 55.69 52.88 3h1j s MET 204 Cb 0.10 -2.20 0.05 0.00 2.01 0.00 0.00 34.83 34.79 3h1j s MET 204 CO 0.13 0.44 0.19 0.00 -0.01 0.00 0.00 175.02 175.77 3h1j s ALA 205 N -1.72 -0.32 -0.77 3.03 0.00 0.35 -2.71 121.76 119.61 3h1j s ALA 205 Ca 0.25 0.73 -0.14 0.00 0.00 0.00 0.00 51.96 52.80 3h1j s ALA 205 Cb -0.09 -0.74 0.20 0.00 0.00 0.00 0.00 23.12 22.49 3h1j s ALA 205 CO 0.16 -0.43 0.72 -1.17 0.00 0.00 0.00 175.76 175.04 3h1j s LEU 206 N 1.90 6.62 0.31 0.00 2.96 0.13 -0.21 118.68 130.39 3h1j s LEU 206 Ca -0.02 -2.51 -0.03 0.00 -0.22 0.00 0.00 54.13 51.35 3h1j s LEU 206 Cb -0.12 -2.21 -0.04 0.00 0.50 0.00 0.00 46.19 44.31 3h1j s LEU 206 CO -0.07 -0.64 0.56 -0.69 -1.32 0.00 0.00 176.35 174.19 3h1j s VAL 207 N 0.49 5.05 0.16 1.68 1.01 -0.82 -2.85 120.40 125.13 3h1j s VAL 207 Ca 0.15 -0.10 -0.22 0.00 0.00 0.00 0.00 61.98 61.81 3h1j s VAL 207 Cb -0.14 -3.78 0.06 0.00 0.00 0.00 0.00 36.38 32.53 3h1j s VAL 207 CO -0.07 -0.41 0.59 -0.83 0.00 0.00 0.00 175.10 174.38 3h1j s GLY 208 N -3.46 -0.55 0.02 4.51 0.00 -0.47 -1.46 107.32 105.91 3h1j s GLY 208 Ca 0.43 0.38 0.01 0.00 0.00 0.00 0.00 44.72 45.54 3h1j s GLY 208 CO 0.32 0.10 -0.04 -0.42 0.00 0.00 0.00 173.10 173.07 3h1j s ILE 209 N -3.77 0.20 -0.88 0.90 1.01 -1.14 -2.91 121.20 114.61 3h1j s ILE 209 Ca 0.02 -0.68 -0.01 0.00 0.00 0.00 0.00 60.65 59.98 3h1j s ILE 209 Cb -0.01 -0.28 0.00 0.00 0.01 0.00 0.00 42.46 42.18 3h1j s ILE 209 CO -0.12 -0.31 0.14 0.61 0.00 0.00 0.00 174.94 175.27 3h1j n GLY 210 N 2.02 -0.02 3.13 6.18 0.00 -0.48 -2.34 105.19 113.67 3h1j n GLY 210 Ca -0.20 -0.37 -0.08 0.00 0.00 0.00 0.00 46.02 45.37 3h1j n GLY 210 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3h1j s VAL 211 N -2.69 0.18 0.04 1.61 -7.23 -1.25 -4.64 120.40 106.42 3h1j s VAL 211 Ca 0.07 -1.51 -0.18 0.00 -1.81 0.00 0.00 61.98 58.55 3h1j s VAL 211 Cb -0.03 -1.38 -0.06 0.00 0.56 0.00 0.00 36.38 35.47 3h1j s VAL 211 CO 0.09 -0.84 0.52 -0.54 -0.31 0.00 0.00 175.10 174.02 3h1j s LYS 212 N -3.73 4.12 0.32 4.82 1.02 -1.26 -2.43 119.74 122.60 3h1j s LYS 212 Ca 0.05 0.62 0.02 0.00 0.02 0.00 0.00 55.97 56.68 3h1j s LYS 212 Cb 0.06 -3.24 0.58 0.00 -0.52 0.00 0.00 37.83 34.70 3h1j s LYS 212 CO -0.10 0.63 1.94 1.25 -0.92 0.00 0.00 175.35 178.15 3h1j h HIS 213 N 4.72 0.95 -0.68 3.18 -0.00 -1.94 -2.10 115.15 119.27 3h1j h HIS 213 Ca -0.50 0.02 0.03 0.00 -0.00 0.00 0.00 60.37 59.93 3h1j h HIS 213 Cb 1.21 -0.32 -0.04 0.00 -0.00 0.00 0.00 27.41 28.27 3h1j h HIS 213 CO 0.69 0.53 0.45 0.66 -0.00 0.00 0.00 177.93 180.25 3h1j h SER 214 N 0.96 0.71 0.09 3.26 4.64 -1.99 0.68 113.55 121.91 3h1j h SER 214 Ca 0.34 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3h1j h SER 214 Cb 0.13 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3h1j h SER 214 CO -0.11 0.49 -0.04 0.44 -0.87 0.00 0.00 176.83 176.73 3h1j h ASP 215 N 0.82 -0.10 -0.72 4.97 3.32 -1.82 -2.40 116.42 120.48 3h1j h ASP 215 Ca 0.27 -0.31 0.14 0.00 0.02 0.00 0.00 57.03 57.15 3h1j h ASP 215 Cb 0.07 0.03 -0.05 0.00 0.22 0.00 0.00 39.33 39.60 3h1j h ASP 215 CO -0.08 0.51 0.48 0.25 -1.72 0.00 0.00 179.24 178.69 3h1j h LEU 216 N -0.98 0.38 0.07 1.55 5.85 -1.34 -1.03 115.31 119.81 3h1j h LEU 216 Ca -0.01 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3h1j h LEU 216 Cb 0.41 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.38 3h1j h LEU 216 CO 0.02 0.21 -0.03 0.50 -0.34 0.00 0.00 178.44 178.79 3h1j h LYS 217 N 0.41 -0.09 -1.15 1.25 3.64 -0.94 -2.84 116.57 116.86 3h1j h LYS 217 Ca 0.35 0.01 0.33 0.00 -1.27 0.00 0.00 60.65 60.06 3h1j h LYS 217 Cb 0.78 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.57 3h1j h LYS 217 CO -0.11 0.35 0.81 0.37 -2.27 0.00 0.00 179.45 178.61 3h1j h GLN 218 N -0.56 0.05 0.00 1.90 4.15 -0.66 -0.93 115.11 119.06 3h1j h GLN 218 Ca -0.01 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 3h1j h GLN 218 Cb 0.48 -0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.16 3h1j h GLN 218 CO 0.02 0.03 -0.13 0.28 -1.93 0.00 0.00 178.83 177.10 3h1j h VAL 219 N 0.05 1.29 -0.81 2.39 2.07 -1.44 -3.04 116.25 116.76 3h1j h VAL 219 Ca 0.56 -2.02 0.17 0.00 0.82 0.00 0.00 66.70 66.24 3h1j h VAL 219 Cb 2.13 2.49 -0.15 0.00 -1.52 0.00 0.00 31.29 34.23 3h1j h VAL 219 CO -0.05 0.44 -0.14 0.00 0.02 0.00 0.00 177.57 177.84 3h1j h ALA 220 N -0.28 0.63 -3.00 1.67 0.00 -0.96 0.94 119.26 118.26 3h1j h ALA 220 Ca -0.03 0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3h1j h ALA 220 Cb 0.81 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3h1j h ALA 220 CO -0.02 -0.42 0.00 -0.85 0.00 0.00 0.00 179.25 177.96 3h1j n GLU 221 N -5.49 0.00 0.00 0.00 0.28 -0.66 -1.99 120.64 112.79 3h1j n GLU 221 Ca 0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.13 3h1j n GLU 221 Cb 0.45 -0.02 0.00 0.00 1.43 0.00 0.00 31.44 33.30 3h1j n GLU 221 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 3h1j n GLN 222 N 0.00 0.00 0.00 3.44 7.27 -1.15 -1.74 117.38 125.20 3h1j n GLN 222 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3h1j n GLN 222 Cb 0.00 -1.46 0.00 0.00 2.41 0.00 0.00 30.24 31.19 3h1j n GLN 222 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32 3h1j n PHE 223 N -0.50 0.00 -0.08 3.69 0.99 0.29 -5.00 117.46 116.85 3h1j n PHE 223 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.42 3h1j n PHE 223 Cb 0.00 0.11 0.03 0.00 -1.00 0.00 0.00 39.48 38.62 3h1j n PHE 223 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 3h1j n LEU 224 N -2.72 0.00 0.00 4.37 4.77 -0.71 -5.02 117.00 117.68 3h1j n LEU 224 Ca 0.00 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 3h1j n LEU 224 Cb 0.36 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 3h1j n LEU 224 CO 0.00 -1.58 0.00 -3.20 -1.33 0.00 0.00 177.39 171.28 3h1j n ASN 225 N -3.28 0.00 -0.71 -1.43 5.15 -1.26 -4.95 115.26 108.78 3h1j n ASN 225 Ca 0.01 0.00 0.04 0.00 -0.60 0.00 0.00 54.58 54.03 3h1j n ASN 225 Cb 0.06 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.29 3h1j n ASN 225 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 3h1j n ILE 226 N 0.00 -0.09 -0.66 -1.44 5.41 -1.26 -4.61 119.36 116.72 3h1j n ILE 226 Ca 0.00 0.15 -0.30 0.00 1.00 0.00 0.00 62.75 63.60 3h1j n ILE 226 Cb 0.00 -0.26 0.16 0.00 -0.71 0.00 0.00 39.64 38.84 3h1j n ILE 226 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 3h1j n ARG 227 N -2.83 -1.72 -4.31 0.38 3.00 -1.26 -4.55 116.66 105.38 3h1j n ARG 227 Ca -0.01 -0.49 -0.16 0.00 -0.00 0.00 0.00 57.85 57.18 3h1j n ARG 227 Cb 0.38 -1.60 -0.10 0.00 0.00 0.00 0.00 32.46 31.14 3h1j n ARG 227 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 3h1j s SER 228 N -1.83 1.61 0.00 6.15 1.04 -1.26 -0.37 113.70 119.04 3h1j s SER 228 Ca 0.51 -1.22 0.00 0.00 0.48 0.00 0.00 55.95 55.71 3h1j s SER 228 Cb -0.09 0.05 0.00 0.00 0.10 0.00 0.00 66.02 66.09 3h1j s SER 228 CO 0.59 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.87 3h1j n GLY 229 N -0.38 -1.45 0.25 7.32 0.00 -1.26 -4.44 105.19 105.23 3h1j n GLY 229 Ca -0.05 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.53 3h1j n GLY 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1j n ALA 230 N -0.63 1.22 0.00 4.61 0.00 -1.26 -4.63 120.51 119.83 3h1j n ALA 230 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3h1j n ALA 230 Cb 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.47 3h1j n ALA 230 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h1j n GLY 231 N 0.01 2.25 3.73 0.00 0.00 -1.26 -3.93 105.19 105.99 3h1j n GLY 231 Ca 0.00 0.10 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 3h1j n GLY 231 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h1j s THR 232 N 0.00 4.96 0.38 2.61 2.01 -0.06 -5.04 115.64 120.50 3h1j s THR 232 Ca 0.00 1.47 0.01 0.00 0.31 0.00 0.00 61.69 63.48 3h1j s THR 232 Cb 0.00 -4.05 -0.02 0.00 0.01 0.00 0.00 72.50 68.44 3h1j s THR 232 CO 0.00 0.30 0.58 -0.44 -0.69 0.00 0.00 174.62 174.36 3h1j s SER 233 N 0.49 6.11 -0.04 3.53 0.01 -1.25 -4.86 113.70 117.69 3h1j s SER 233 Ca 0.37 0.33 -0.17 0.00 1.31 0.00 0.00 55.95 57.79 3h1j s SER 233 Cb -0.18 -1.79 -0.05 0.00 0.21 0.00 0.00 66.02 64.20 3h1j s SER 233 CO 0.19 -0.44 0.45 -0.55 0.41 0.00 0.00 173.24 173.31 3h1j s SER 234 N -4.11 6.79 -0.92 2.44 0.15 -1.26 -5.00 113.70 111.80 3h1j s SER 234 Ca 0.43 0.94 -0.25 0.00 0.70 0.00 0.00 55.95 57.78 3h1j s SER 234 Cb -0.10 -2.28 -0.07 0.00 -1.71 0.00 0.00 66.02 61.87 3h1j s SER 234 CO 0.36 0.19 2.01 0.00 1.20 0.00 0.00 173.24 177.00 3h1j s ALA 235 N -0.43 1.53 0.00 5.45 0.00 -1.26 -4.86 121.76 122.20 3h1j s ALA 235 Ca 0.25 -1.48 0.00 0.00 0.00 0.00 0.00 51.96 50.73 3h1j s ALA 235 Cb -0.16 -4.57 0.00 0.00 0.00 0.00 0.00 23.12 18.38 3h1j s ALA 235 CO 0.13 -5.04 0.00 1.63 0.00 0.00 0.00 175.76 172.48 3h1j n LYS 236 N 8.78 0.00 -1.95 0.00 5.02 -1.26 -4.52 118.16 124.24 3h1j n LYS 236 Ca 0.41 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 56.28 3h1j n LYS 236 Cb 0.46 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.45 3h1j n LYS 236 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h1j s ALA 237 N 0.00 3.44 0.03 7.82 0.00 -1.26 -4.86 121.76 126.93 3h1j s ALA 237 Ca 0.00 0.86 -0.17 0.00 0.00 0.00 0.00 51.96 52.64 3h1j s ALA 237 Cb 0.00 -3.82 -0.06 0.00 0.00 0.00 0.00 23.12 19.24 3h1j s ALA 237 CO 0.00 -1.69 0.50 0.99 0.00 0.00 0.00 175.76 175.56 3h1j s THR 238 N 4.79 4.88 0.06 0.00 2.01 -1.26 -4.98 115.64 121.14 3h1j s THR 238 Ca 0.78 1.05 -0.20 0.00 0.31 0.00 0.00 61.69 63.63 3h1j s THR 238 Cb -0.32 -3.82 -0.06 0.00 0.01 0.00 0.00 72.50 68.30 3h1j s THR 238 CO 0.32 0.55 0.60 -0.47 -0.69 0.00 0.00 174.62 174.92 3h1j s TYR 239 N -0.97 3.79 -0.04 4.92 5.04 -1.26 -1.29 117.35 127.54 3h1j s TYR 239 Ca 0.27 1.29 -0.09 0.00 -2.44 0.00 0.00 57.07 56.10 3h1j s TYR 239 Cb -0.18 -2.55 -0.03 0.00 0.35 0.00 0.00 41.96 39.55 3h1j s TYR 239 CO 0.16 0.52 -0.17 1.87 -1.34 0.00 0.00 175.55 176.59 3h1j n TRP 240 N 1.96 0.00 -1.12 4.97 -0.00 -0.52 -4.77 117.44 117.96 3h1j n TRP 240 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.41 3h1j n TRP 240 Cb 0.51 -0.25 0.00 0.00 -0.00 0.00 0.00 31.31 31.57 3h1j n TRP 240 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3h1j n GLY 241 N 2.50 0.59 1.84 5.87 0.00 -0.85 -5.01 105.19 110.14 3h1j n GLY 241 Ca -0.07 -0.28 -0.14 0.00 0.00 0.00 0.00 46.02 45.52 3h1j n GLY 241 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1j n GLY 242 N -0.47 -1.62 2.94 -0.02 0.00 0.16 -4.64 105.19 101.54 3h1j n GLY 242 Ca 0.00 -1.64 -0.08 0.00 0.00 0.00 0.00 46.02 44.30 3h1j n GLY 242 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3h1j s GLU 243 N -4.37 0.46 -0.21 1.61 2.12 -1.26 -2.07 118.70 114.99 3h1j s GLU 243 Ca 0.36 0.08 -0.06 0.00 0.36 0.00 0.00 54.97 55.72 3h1j s GLU 243 Cb -0.02 -0.26 -0.03 0.00 0.26 0.00 0.00 34.13 34.09 3h1j s GLU 243 CO 0.26 -1.06 0.02 0.42 -0.54 0.00 0.00 175.26 174.37 3h1j s ILE 244 N 2.47 4.17 -0.13 -3.70 1.01 -0.57 -5.00 121.20 119.44 3h1j s ILE 244 Ca 0.10 -0.24 0.02 0.00 0.00 0.00 0.00 60.65 60.54 3h1j s ILE 244 Cb -0.12 -2.90 0.01 0.00 0.01 0.00 0.00 42.46 39.46 3h1j s ILE 244 CO -0.27 0.42 -0.21 -0.13 0.00 0.00 0.00 174.94 174.74 3h1j s ARG 245 N 1.00 3.07 -0.45 2.79 0.52 -1.26 -2.15 118.95 122.45 3h1j s ARG 245 Ca 0.02 -0.84 -0.02 0.00 -0.52 0.00 0.00 55.73 54.38 3h1j s ARG 245 Cb -0.14 -2.44 0.12 0.00 0.52 0.00 0.00 34.95 33.01 3h1j s ARG 245 CO 0.02 0.04 0.24 -2.00 0.02 0.00 0.00 175.30 173.62 3h1j s GLU 246 N 0.70 2.07 -0.00 3.54 2.12 -0.69 -5.00 118.70 121.44 3h1j s GLU 246 Ca -0.09 -2.02 -0.30 0.00 0.36 0.00 0.00 54.97 52.91 3h1j s GLU 246 Cb -0.16 -3.57 -0.04 0.00 0.26 0.00 0.00 34.13 30.62 3h1j s GLU 246 CO 0.01 -1.08 1.23 -1.14 -0.54 0.00 0.00 175.26 173.73 3h1j s GLN 247 N 0.78 4.37 0.00 4.30 2.00 -1.26 -1.27 119.66 128.58 3h1j s GLN 247 Ca 0.11 1.75 0.00 0.00 -2.00 0.00 0.00 55.36 55.22 3h1j s GLN 247 Cb -0.22 -3.48 0.00 0.00 0.80 0.00 0.00 33.01 30.11 3h1j s GLN 247 CO -0.04 -0.39 0.22 0.27 -0.50 0.00 0.00 175.29 174.84 3h1j n ASN 248 N 4.75 0.00 0.00 6.67 2.04 -0.70 -4.85 115.26 123.17 3h1j n ASN 248 Ca 0.10 -1.00 0.00 0.00 -0.44 0.00 0.00 54.58 53.24 3h1j n ASN 248 Cb 0.46 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.71 3h1j n ASN 248 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3h1j n GLY 249 N 0.00 1.72 1.77 4.83 0.00 -1.25 -4.85 105.19 107.41 3h1j n GLY 249 Ca 0.00 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 3h1j n GLY 249 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3h1j n HIS 250 N 0.00 0.69 -0.33 1.61 -0.00 -1.26 -3.84 115.22 112.08 3h1j n HIS 250 Ca 0.00 0.45 0.03 0.00 -0.00 0.00 0.00 57.72 58.21 3h1j n HIS 250 Cb 0.00 -1.19 0.11 0.00 -0.00 0.00 0.00 29.99 28.90 3h1j n HIS 250 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 3h1j h SER 251 N 4.18 -0.96 -3.33 0.26 4.64 -1.96 -2.76 113.55 113.62 3h1j h SER 251 Ca -0.10 0.28 -0.53 0.00 -0.47 0.00 0.00 61.79 60.97 3h1j h SER 251 Cb 0.74 0.60 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 3h1j h SER 251 CO 0.56 -0.30 0.51 -0.76 -0.87 0.00 0.00 176.83 175.96 3h1j s LEU 252 N -11.12 4.40 -0.34 5.97 1.43 -1.26 -2.50 118.68 115.26 3h1j s LEU 252 Ca -0.15 1.98 -0.13 0.00 -1.03 0.00 0.00 54.13 54.81 3h1j s LEU 252 Cb 0.24 -3.58 -0.02 0.00 0.03 0.00 0.00 46.19 42.86 3h1j s LEU 252 CO 0.76 -0.37 0.24 -0.69 0.23 0.00 0.00 176.35 176.52 3h1j s VAL 253 N 0.69 5.27 0.00 -1.59 1.01 -0.38 -4.55 120.40 120.86 3h1j s VAL 253 Ca 0.55 -0.23 -0.10 0.00 0.00 0.00 0.00 61.98 62.20 3h1j s VAL 253 Cb -0.28 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.33 3h1j s VAL 253 CO 0.31 -0.02 0.33 -1.00 0.00 0.00 0.00 175.10 174.72 3h1j s HIS 254 N 1.72 3.63 -0.01 5.22 3.76 -0.82 -2.69 115.29 126.10 3h1j s HIS 254 Ca 0.06 0.76 -0.18 0.00 -0.15 0.00 0.00 55.06 55.55 3h1j s HIS 254 Cb -0.17 -2.13 0.03 0.00 1.11 0.00 0.00 32.58 31.42 3h1j s HIS 254 CO 0.10 0.62 0.39 0.00 -0.85 0.00 0.00 174.74 175.00 3h1j s ALA 255 N -1.21 -0.98 -0.16 -1.40 0.00 -0.21 -1.84 121.76 115.95 3h1j s ALA 255 Ca 0.26 0.49 -0.06 0.00 0.00 0.00 0.00 51.96 52.65 3h1j s ALA 255 Cb -0.14 0.10 0.07 0.00 0.00 0.00 0.00 23.12 23.15 3h1j s ALA 255 CO 0.14 -0.31 0.33 0.00 0.00 0.00 0.00 175.76 175.92 3h1j s ALA 256 N -1.47 -0.81 -0.12 0.00 0.00 -0.43 0.11 121.76 119.04 3h1j s ALA 256 Ca -0.12 1.18 0.01 0.00 0.00 0.00 0.00 51.96 53.03 3h1j s ALA 256 Cb -0.04 -1.12 -0.01 0.00 0.00 0.00 0.00 23.12 21.96 3h1j s ALA 256 CO 0.04 -0.65 -0.15 0.08 0.00 0.00 0.00 175.76 175.09 3h1j s VAL 257 N 2.40 2.91 0.29 0.00 1.01 -0.21 -1.97 120.40 124.82 3h1j s VAL 257 Ca -0.01 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.26 3h1j s VAL 257 Cb -0.12 -2.21 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 3h1j s VAL 257 CO -0.10 0.53 0.31 0.68 0.00 0.00 0.00 175.10 176.52 3h1j s VAL 258 N 0.30 0.00 0.15 2.92 -7.23 -0.74 -1.01 120.40 114.79 3h1j s VAL 258 Ca -0.11 -1.84 -0.05 0.00 -1.81 0.00 0.00 61.98 58.18 3h1j s VAL 258 Cb -0.16 -2.51 -0.02 0.00 0.56 0.00 0.00 36.38 34.25 3h1j s VAL 258 CO 0.06 0.00 0.17 -0.89 -0.31 0.00 0.00 175.10 174.13 3h1j s THR 259 N -3.61 0.08 0.41 5.32 2.01 0.51 -0.81 115.64 119.56 3h1j s THR 259 Ca 0.36 -1.66 -0.27 0.00 0.31 0.00 0.00 61.69 60.43 3h1j s THR 259 Cb 0.03 -1.95 -0.10 0.00 0.01 0.00 0.00 72.50 70.49 3h1j s THR 259 CO 0.19 -0.38 1.42 -0.70 -0.69 0.00 0.00 174.62 174.47 3h1j s GLU 260 N -4.01 3.94 0.00 4.92 2.12 -1.26 -1.41 118.70 123.00 3h1j s GLU 260 Ca 0.21 2.42 0.00 0.00 0.36 0.00 0.00 54.97 57.96 3h1j s GLU 260 Cb 0.05 -2.83 0.00 0.00 0.26 0.00 0.00 34.13 31.62 3h1j s GLU 260 CO 0.01 -0.61 0.00 0.41 -0.54 0.00 0.00 175.26 174.53 3h1j n GLY 261 N 0.56 5.17 3.92 -1.50 0.00 -0.63 -4.66 105.19 108.06 3h1j n GLY 261 Ca 0.03 -1.65 -0.27 0.00 0.00 0.00 0.00 46.02 44.13 3h1j n GLY 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1j s ALA 262 N -2.00 3.93 0.48 4.61 0.00 -1.26 -4.22 121.76 123.30 3h1j s ALA 262 Ca 0.00 -1.03 -0.01 0.00 0.00 0.00 0.00 51.96 50.92 3h1j s ALA 262 Cb 0.00 -1.74 -0.00 0.00 0.00 0.00 0.00 23.12 21.38 3h1j s ALA 262 CO 0.00 0.58 0.72 0.00 0.00 0.00 0.00 175.76 177.06 3h1j s ALA 263 N -1.71 3.66 0.51 0.00 0.00 -1.26 -3.88 121.76 119.08 3h1j s ALA 263 Ca 0.34 -0.97 -0.21 0.00 0.00 0.00 0.00 51.96 51.12 3h1j s ALA 263 Cb -0.11 -2.24 -0.08 0.00 0.00 0.00 0.00 23.12 20.68 3h1j s ALA 263 CO 0.28 -0.46 0.91 0.28 0.00 0.00 0.00 175.76 176.76 3h1j n VAL 264 N -2.19 2.84 0.00 0.00 0.31 -0.15 -2.67 118.33 116.48 3h1j n VAL 264 Ca 0.02 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.85 3h1j n VAL 264 Cb 0.58 -1.07 0.00 0.00 -0.91 0.00 0.00 33.84 32.44 3h1j n VAL 264 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3h1j n GLY 265 N 1.33 1.73 3.51 2.92 0.00 -1.26 -4.92 105.19 108.50 3h1j n GLY 265 Ca 0.11 -0.13 -0.55 0.00 0.00 0.00 0.00 46.02 45.46 3h1j n GLY 265 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h1j n SER 266 N 3.26 0.30 0.23 1.61 3.41 -1.09 -4.83 113.62 116.51 3h1j n SER 266 Ca 0.00 1.15 0.08 0.00 -0.26 0.00 0.00 58.87 59.84 3h1j n SER 266 Cb 0.00 -1.02 0.58 0.00 -0.26 0.00 0.00 64.21 63.51 3h1j n SER 266 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h1j h ALA 267 N 3.01 1.44 0.00 7.33 0.00 -1.93 -1.07 119.26 128.05 3h1j h ALA 267 Ca -0.46 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.28 3h1j h ALA 267 Cb 1.40 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.16 3h1j h ALA 267 CO 0.67 0.24 0.15 1.49 0.00 0.00 0.00 179.25 181.80 3h1j h GLU 268 N 0.00 0.00 0.31 0.00 4.81 -1.93 -1.30 114.58 116.48 3h1j h GLU 268 Ca -0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 3h1j h GLU 268 Cb 0.40 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.78 3h1j h GLU 268 CO 0.02 0.00 -0.15 0.00 -0.73 0.00 0.00 179.01 178.15 3h1j h ALA 269 N 1.67 -0.42 -0.83 2.92 0.00 -1.47 -3.12 119.26 118.01 3h1j h ALA 269 Ca 0.00 -0.16 0.27 0.00 0.00 0.00 0.00 54.91 55.02 3h1j h ALA 269 Cb 0.31 0.16 -0.15 0.00 0.00 0.00 0.00 17.79 18.11 3h1j h ALA 269 CO 0.00 -0.43 0.15 0.09 0.00 0.00 0.00 179.25 179.06 3h1j n ASN 270 N -5.06 0.02 0.25 0.00 3.02 -0.50 0.20 115.26 113.19 3h1j n ASN 270 Ca -0.07 1.40 -0.16 0.00 -0.03 0.00 0.00 54.58 55.72 3h1j n ASN 270 Cb 0.23 -0.56 -0.08 0.00 -0.61 0.00 0.00 39.78 38.76 3h1j n ASN 270 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h1j h ALA 271 N 1.66 -0.77 -0.99 5.41 0.00 -1.55 -1.07 119.26 121.95 3h1j h ALA 271 Ca 0.57 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.45 3h1j h ALA 271 Cb 1.29 0.46 -0.08 0.00 0.00 0.00 0.00 17.79 19.46 3h1j h ALA 271 CO -0.74 -0.96 0.63 0.74 0.00 0.00 0.00 179.25 178.92 3h1j h PHE 272 N -0.75 1.14 -0.73 0.00 -1.00 0.23 0.63 116.94 116.46 3h1j h PHE 272 Ca -0.04 0.03 0.04 0.00 2.81 0.00 0.00 57.97 60.82 3h1j h PHE 272 Cb 0.65 -0.36 -0.05 0.00 3.61 0.00 0.00 35.95 39.80 3h1j h PHE 272 CO -0.16 0.47 0.44 0.77 -1.61 0.00 0.00 178.31 178.22 3h1j h SER 273 N 1.01 0.70 -0.08 2.17 0.02 -0.37 0.83 113.55 117.83 3h1j h SER 273 Ca 0.48 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.40 3h1j h SER 273 Cb 0.43 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 3h1j h SER 273 CO -0.25 0.47 -0.12 0.58 -1.14 0.00 0.00 176.83 176.37 3h1j h VAL 274 N 0.84 1.39 -0.35 2.27 2.07 0.30 -2.16 116.25 120.62 3h1j h VAL 274 Ca 0.31 -1.36 0.05 0.00 0.82 0.00 0.00 66.70 66.52 3h1j h VAL 274 Cb 0.09 2.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 3h1j h VAL 274 CO -0.14 0.38 0.24 0.25 0.02 0.00 0.00 177.57 178.32 3h1j h LEU 275 N -0.23 0.22 0.00 2.57 5.85 0.60 0.40 115.31 124.72 3h1j h LEU 275 Ca 0.01 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 3h1j h LEU 275 Cb 0.67 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.66 3h1j h LEU 275 CO 0.03 0.15 -0.00 -0.61 -0.34 0.00 0.00 178.44 177.66 3h1j h GLN 276 N 0.25 -0.00 -0.14 1.25 4.15 0.94 -0.53 115.11 121.03 3h1j h GLN 276 Ca 0.15 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.61 3h1j h GLN 276 Cb 0.29 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 3h1j h GLN 276 CO -0.03 -0.00 0.27 0.45 -1.93 0.00 0.00 178.83 177.58 3h1j h HIS 277 N -0.00 0.00 -0.00 3.99 3.86 -1.05 0.56 115.15 122.51 3h1j h HIS 277 Ca -0.00 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3h1j h HIS 277 Cb 0.00 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 3h1j h HIS 277 CO 0.10 0.00 -0.00 0.28 0.86 0.00 0.00 177.93 179.17 3h1j h VAL 278 N 0.00 1.44 0.00 2.45 2.07 -0.59 -3.16 116.25 118.45 3h1j h VAL 278 Ca 0.07 -1.28 -0.06 0.00 0.82 0.00 0.00 66.70 66.24 3h1j h VAL 278 Cb 0.60 2.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.67 3h1j h VAL 278 CO -0.00 0.33 -0.31 -0.07 0.02 0.00 0.00 177.57 177.55 3h1j h LEU 279 N -0.54 0.00 0.00 2.57 3.38 0.39 -3.15 115.31 117.96 3h1j h LEU 279 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h1j h LEU 279 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3h1j h LEU 279 CO 0.00 0.31 0.00 0.61 0.09 0.00 0.00 178.44 179.45 3h1j n GLY 280 N -0.22 2.32 2.68 0.83 0.00 0.04 0.67 105.19 111.52 3h1j n GLY 280 Ca -0.01 -1.12 -0.29 0.00 0.00 0.00 0.00 46.02 44.60 3h1j n GLY 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1j n ALA 281 N 1.45 4.53 -1.03 4.61 0.00 -1.26 -1.99 120.51 126.82 3h1j n ALA 281 Ca 0.00 -4.74 0.00 0.00 0.00 0.00 0.00 53.44 48.70 3h1j n ALA 281 Cb 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.41 3h1j n ALA 281 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h1j n GLY 282 N 0.40 -3.76 0.80 0.00 0.00 -1.26 -4.97 105.19 96.41 3h1j n GLY 282 Ca 0.31 -0.56 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 3h1j n GLY 282 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3h1j n PRO 283 N 0.39 0.00 0.00 1.61 -0.04 -1.26 -4.97 135.00 130.73 3h1j n PRO 283 Ca 0.00 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.48 3h1j n PRO 283 Cb 0.00 -0.25 -0.02 0.00 -0.04 0.00 0.00 33.50 33.20 3h1j n PRO 283 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3h1j n LEU 284 N 0.61 0.25 -4.17 1.53 4.77 -1.26 -4.98 117.00 113.75 3h1j n LEU 284 Ca 0.02 -0.54 -0.32 0.00 -0.03 0.00 0.00 56.01 55.14 3h1j n LEU 284 Cb 0.11 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.04 3h1j n LEU 284 CO 0.13 0.06 -0.54 0.27 -1.33 0.00 0.00 177.39 175.98 3h1j s ILE 285 N -1.22 1.97 -0.34 -0.08 -4.36 -1.26 -5.06 121.20 110.84 3h1j s ILE 285 Ca 0.01 -0.94 -0.40 0.00 -0.26 0.00 0.00 60.65 59.07 3h1j s ILE 285 Cb 0.02 -1.73 -0.16 0.00 1.25 0.00 0.00 42.46 41.85 3h1j s ILE 285 CO 0.13 0.53 1.87 1.17 0.24 0.00 0.00 174.94 178.88 3h1j n LYS 286 N 3.93 0.90 -2.22 0.37 4.81 -1.26 0.16 118.16 124.85 3h1j n LYS 286 Ca -0.20 0.31 -0.20 0.00 -0.87 0.00 0.00 58.31 57.35 3h1j n LYS 286 Cb 0.52 -2.05 -0.03 0.00 0.02 0.00 0.00 35.03 33.49 3h1j n LYS 286 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3h1j n ARG 287 N 6.11 -1.57 0.00 1.64 1.74 -1.26 -4.97 116.66 118.35 3h1j n ARG 287 Ca 0.33 1.03 0.00 0.00 -0.77 0.00 0.00 57.85 58.45 3h1j n ARG 287 Cb 0.11 -5.60 0.00 0.00 -1.02 0.00 0.00 32.46 25.95 3h1j n ARG 287 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3h1j n GLY 288 N -0.91 -3.21 0.00 -0.13 0.00 0.42 -5.03 105.19 96.33 3h1j n GLY 288 Ca -0.23 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.59 3h1j n GLY 288 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3h1j n SER 289 N 0.00 2.70 -2.96 1.61 2.88 -1.26 -5.05 113.62 111.53 3h1j n SER 289 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 3h1j n SER 289 Cb 0.00 0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 3h1j n SER 289 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3h1j n SER 290 N -1.05 -7.60 0.08 -3.46 7.64 -1.26 -4.74 113.62 103.23 3h1j n SER 290 Ca 0.00 0.04 -0.21 0.00 1.01 0.00 0.00 58.87 59.72 3h1j n SER 290 Cb 0.13 -5.16 -0.12 0.00 -1.01 0.00 0.00 64.21 58.05 3h1j n SER 290 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3h1j h VAL 291 N 0.72 1.31 0.00 0.44 2.07 -2.01 -3.01 116.25 115.77 3h1j h VAL 291 Ca 0.00 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 65.05 3h1j h VAL 291 Cb 0.99 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 33.40 3h1j h VAL 291 CO 0.27 0.75 0.00 0.41 0.02 0.00 0.00 177.57 179.02 3h1j n THR 292 N -3.77 0.00 -3.63 2.57 -1.04 -1.26 -4.38 114.28 102.76 3h1j n THR 292 Ca -0.12 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.50 3h1j n THR 292 Cb 0.96 -0.60 -0.10 0.00 -1.82 0.00 0.00 70.33 68.78 3h1j n THR 292 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3h1j s SER 293 N -1.84 5.55 0.11 8.00 0.15 -1.14 -4.62 113.70 119.91 3h1j s SER 293 Ca 0.09 -1.89 -0.30 0.00 0.70 0.00 0.00 55.95 54.55 3h1j s SER 293 Cb 0.04 -1.95 -0.10 0.00 -1.71 0.00 0.00 66.02 62.31 3h1j s SER 293 CO 0.07 -0.62 1.60 0.11 1.20 0.00 0.00 173.24 175.59 3h1j h LYS 294 N 8.32 -0.60 0.26 5.44 1.79 -1.38 -1.49 116.57 128.89 3h1j h LYS 294 Ca -0.19 0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.32 3h1j h LYS 294 Cb 1.07 0.14 -0.02 0.00 -1.58 0.00 0.00 32.23 31.83 3h1j h LYS 294 CO 0.79 -0.40 -0.38 1.25 -1.08 0.00 0.00 179.45 179.63 3h1j h LEU 295 N -0.63 -1.08 -0.19 2.94 5.85 -0.03 0.23 115.31 122.40 3h1j h LEU 295 Ca 0.02 0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.86 3h1j h LEU 295 Cb 0.65 0.38 -0.03 0.00 0.37 0.00 0.00 40.66 42.02 3h1j h LEU 295 CO -0.21 -0.46 -0.21 0.22 -0.34 0.00 0.00 178.44 177.44 3h1j h TYR 296 N -0.67 -0.66 -0.92 1.25 5.03 -1.66 0.73 116.97 120.08 3h1j h TYR 296 Ca -0.03 0.03 0.26 0.00 2.58 0.00 0.00 58.73 61.57 3h1j h TYR 296 Cb 0.61 0.31 -0.16 0.00 1.55 0.00 0.00 36.73 39.04 3h1j h TYR 296 CO -0.29 -0.18 0.21 1.96 -1.32 0.00 0.00 178.16 178.54 3h1j h GLN 297 N -0.13 0.13 -0.26 1.82 1.08 -1.19 0.14 115.11 116.71 3h1j h GLN 297 Ca 0.03 -0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.23 3h1j h GLN 297 Cb 0.21 -0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 27.60 3h1j h GLN 297 CO -0.24 0.09 0.15 0.78 -0.95 0.00 0.00 178.83 178.66 3h1j h GLY 298 N 0.14 0.36 1.72 3.46 0.00 0.17 -2.76 103.07 106.16 3h1j h GLY 298 Ca 0.59 -0.11 -0.10 0.00 0.00 0.00 0.00 47.33 47.71 3h1j h GLY 298 CO -0.73 0.11 -0.32 -2.08 0.00 0.00 0.00 176.54 173.51 3h1j h VAL 299 N 0.31 1.28 0.16 4.60 2.07 0.69 -3.05 116.25 122.31 3h1j h VAL 299 Ca 0.10 -1.33 -0.01 0.00 0.82 0.00 0.00 66.70 66.28 3h1j h VAL 299 Cb -0.01 1.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.27 3h1j h VAL 299 CO -0.05 0.41 -0.09 0.00 0.02 0.00 0.00 177.57 177.86 3h1j h ALA 300 N 1.39 -0.23 0.00 1.67 0.00 -1.11 0.11 119.26 121.10 3h1j h ALA 300 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3h1j h ALA 300 Cb 0.70 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3h1j h ALA 300 CO 0.05 -0.63 0.00 1.63 0.00 0.00 0.00 179.25 180.30 3h1j n LYS 301 N -5.20 0.00 -0.03 0.00 5.02 -1.06 -2.23 118.16 114.67 3h1j n LYS 301 Ca -0.08 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.17 3h1j n LYS 301 Cb 0.12 -1.42 -0.03 0.00 -0.02 0.00 0.00 35.03 33.68 3h1j n LYS 301 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3h1j n ALA 302 N -0.92 1.88 -2.36 7.82 0.00 -0.09 -5.08 120.51 121.77 3h1j n ALA 302 Ca 0.00 -0.27 -0.23 0.00 0.00 0.00 0.00 53.44 52.94 3h1j n ALA 302 Cb 0.00 0.28 -0.06 0.00 0.00 0.00 0.00 19.45 19.68 3h1j n ALA 302 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3h1j s THR 303 N -2.11 2.48 -0.20 0.00 -1.32 -0.51 -4.93 115.64 109.04 3h1j s THR 303 Ca -0.06 -1.57 -0.04 0.00 -1.21 0.00 0.00 61.69 58.82 3h1j s THR 303 Cb 0.02 -3.00 -0.11 0.00 -1.51 0.00 0.00 72.50 67.90 3h1j s THR 303 CO 0.15 -0.01 -0.21 0.35 -2.21 0.00 0.00 174.62 172.69 3h1j n THR 304 N -1.35 1.12 -1.97 5.08 -2.24 -1.26 -4.84 114.28 108.82 3h1j n THR 304 Ca 0.01 -0.36 -0.29 0.00 -2.27 0.00 0.00 64.05 61.14 3h1j n THR 304 Cb 0.63 -1.45 0.11 0.00 -2.10 0.00 0.00 70.33 67.52 3h1j n THR 304 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3h1j s GLN 305 N -2.38 1.67 0.66 -0.78 -1.52 -1.26 -5.05 119.66 111.00 3h1j s GLN 305 Ca -0.27 -0.11 -0.17 0.00 -1.95 0.00 0.00 55.36 52.85 3h1j s GLN 305 Cb 0.09 -1.97 -0.00 0.00 -0.22 0.00 0.00 33.01 30.91 3h1j s GLN 305 CO 0.41 -1.74 1.27 -2.14 -0.25 0.00 0.00 175.29 172.84 3h1j s PRO 306 N -5.59 2.48 0.12 2.91 0.02 -1.26 -4.98 135.00 128.70 3h1j s PRO 306 Ca 0.65 1.97 -0.24 0.00 0.02 0.00 0.00 61.00 63.40 3h1j s PRO 306 Cb -0.09 -1.85 0.08 0.00 0.02 0.00 0.00 34.50 32.66 3h1j s PRO 306 CO 0.49 -1.63 1.12 -0.59 -0.33 0.00 0.00 177.00 176.07 3h1j s PHE 307 N -1.55 0.07 -0.24 6.54 -0.12 -1.26 -4.05 117.98 117.36 3h1j s PHE 307 Ca 0.80 -0.38 -0.18 0.00 -0.05 0.00 0.00 56.93 57.12 3h1j s PHE 307 Cb -0.35 0.66 0.07 0.00 -0.63 0.00 0.00 43.02 42.76 3h1j s PHE 307 CO 0.40 -0.71 0.61 0.34 -0.05 0.00 0.00 175.22 175.81 3h1j s ASP 308 N -3.59 -0.71 -0.10 1.98 2.15 0.30 -5.00 116.67 111.70 3h1j s ASP 308 Ca 0.25 1.27 -0.07 0.00 0.43 0.00 0.00 52.55 54.43 3h1j s ASP 308 Cb -0.02 1.22 0.03 0.00 -0.30 0.00 0.00 42.92 43.85 3h1j s ASP 308 CO 0.04 -0.22 0.25 0.00 -0.17 0.00 0.00 175.17 175.07 3h1j s ALA 309 N 0.88 -0.61 0.26 3.66 0.00 -1.26 0.64 121.76 125.33 3h1j s ALA 309 Ca -0.04 0.86 -0.02 0.00 0.00 0.00 0.00 51.96 52.75 3h1j s ALA 309 Cb -0.05 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.53 3h1j s ALA 309 CO -0.07 -0.16 0.29 -1.12 0.00 0.00 0.00 175.76 174.70 3h1j s SER 310 N 0.64 0.51 -0.41 0.00 0.01 -0.26 -4.42 113.70 109.76 3h1j s SER 310 Ca -0.04 -1.37 -0.20 0.00 1.31 0.00 0.00 55.95 55.64 3h1j s SER 310 Cb -0.05 0.51 0.02 0.00 0.21 0.00 0.00 66.02 66.70 3h1j s SER 310 CO -0.04 -1.03 0.63 0.00 0.41 0.00 0.00 173.24 173.21 3h1j s ALA 311 N -3.80 3.39 0.15 1.44 0.00 -0.84 -1.44 121.76 120.65 3h1j s ALA 311 Ca 0.34 -1.11 -0.22 0.00 0.00 0.00 0.00 51.96 50.97 3h1j s ALA 311 Cb 0.03 -3.24 -0.08 0.00 0.00 0.00 0.00 23.12 19.84 3h1j s ALA 311 CO 0.16 -1.62 0.70 0.12 0.00 0.00 0.00 175.76 175.11 3h1j s PHE 312 N 2.74 3.82 -0.30 0.00 5.36 0.25 -4.83 117.98 125.02 3h1j s PHE 312 Ca 0.22 1.46 -0.10 0.00 -0.96 0.00 0.00 56.93 57.56 3h1j s PHE 312 Cb -0.14 -2.64 0.16 0.00 -0.34 0.00 0.00 43.02 40.05 3h1j s PHE 312 CO 0.17 0.50 0.80 1.21 -1.46 0.00 0.00 175.22 176.45 3h1j s ASN 313 N -1.25 -0.93 0.04 6.13 2.47 -1.26 -1.68 114.94 118.46 3h1j s ASN 313 Ca 0.35 1.00 0.07 0.00 0.42 0.00 0.00 52.86 54.70 3h1j s ASN 313 Cb -0.21 1.95 -0.02 0.00 -1.45 0.00 0.00 41.25 41.52 3h1j s ASN 313 CO 0.23 -0.18 -0.19 -0.69 -3.72 0.00 0.00 177.10 172.55 3h1j s VAL 314 N 2.76 1.52 -0.26 -5.21 1.01 0.08 -5.02 120.40 115.27 3h1j s VAL 314 Ca 0.02 -1.14 0.00 0.00 0.00 0.00 0.00 61.98 60.86 3h1j s VAL 314 Cb -0.11 -1.33 0.07 0.00 0.00 0.00 0.00 36.38 35.02 3h1j s VAL 314 CO -0.18 0.16 0.01 0.20 0.00 0.00 0.00 175.10 175.28 3h1j s ASN 315 N -1.15 3.89 0.38 3.32 0.01 -1.26 -1.91 114.94 118.21 3h1j s ASN 315 Ca 0.06 -1.36 0.07 0.00 -0.71 0.00 0.00 52.86 50.92 3h1j s ASN 315 Cb -0.08 -1.09 -0.00 0.00 0.41 0.00 0.00 41.25 40.48 3h1j s ASN 315 CO 0.02 -0.30 0.49 -0.31 -1.51 0.00 0.00 177.10 175.48 3h1j s TYR 316 N 1.44 2.94 0.07 2.20 4.12 0.25 -4.20 117.35 124.17 3h1j s TYR 316 Ca 0.00 -0.32 -0.18 0.00 0.02 0.00 0.00 57.07 56.60 3h1j s TYR 316 Cb -0.18 -2.15 -0.06 0.00 -1.52 0.00 0.00 41.96 38.05 3h1j s TYR 316 CO -0.11 -0.17 1.29 0.66 0.02 0.00 0.00 175.55 177.24 3h1j h SER 317 N 0.83 -0.98 -0.68 2.29 4.64 -1.94 -0.35 113.55 117.35 3h1j h SER 317 Ca -0.43 0.13 -0.30 0.00 -0.47 0.00 0.00 61.79 60.72 3h1j h SER 317 Cb 1.27 0.40 -0.18 0.00 -0.31 0.00 0.00 62.40 63.58 3h1j h SER 317 CO 0.50 -0.23 0.29 -0.90 -0.87 0.00 0.00 176.83 175.62 3h1j n ASP 318 N -4.12 3.71 0.00 4.97 5.68 -1.26 -4.21 116.55 121.33 3h1j n ASP 318 Ca -0.02 -3.50 0.00 0.00 -0.50 0.00 0.00 54.79 50.77 3h1j n ASP 318 Cb 0.19 -0.73 0.00 0.00 -1.14 0.00 0.00 41.12 39.43 3h1j n ASP 318 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63 3h1j n SER 319 N -0.81 0.00 -3.43 -1.12 2.88 -1.18 -4.74 113.62 105.22 3h1j n SER 319 Ca 0.44 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.92 3h1j n SER 319 Cb 1.35 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.82 3h1j n SER 319 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 3h1j s GLY 320 N 0.00 0.06 0.00 0.46 0.00 -1.25 -0.58 107.32 106.01 3h1j s GLY 320 Ca 0.00 -0.34 0.01 0.00 0.00 0.00 0.00 44.72 44.39 3h1j s GLY 320 CO 0.00 0.51 -0.04 1.08 0.00 0.00 0.00 173.10 174.64 3h1j s LEU 321 N -3.09 2.04 -0.10 0.66 1.43 -0.80 -1.61 118.68 117.20 3h1j s LEU 321 Ca 0.15 -0.12 -0.10 0.00 -1.03 0.00 0.00 54.13 53.03 3h1j s LEU 321 Cb -0.04 -0.20 0.03 0.00 0.03 0.00 0.00 46.19 46.01 3h1j s LEU 321 CO 0.07 0.02 0.29 0.12 0.23 0.00 0.00 176.35 177.07 3h1j s PHE 322 N -0.24 -0.30 -2.10 0.29 5.36 -0.50 -0.74 117.98 119.75 3h1j s PHE 322 Ca 0.00 0.72 0.00 0.00 -0.96 0.00 0.00 56.93 56.69 3h1j s PHE 322 Cb -0.02 0.10 0.00 0.00 -0.34 0.00 0.00 43.02 42.76 3h1j s PHE 322 CO -0.00 -0.17 0.00 0.41 -1.46 0.00 0.00 175.22 174.00 3h1j n GLY 323 N 2.78 -0.66 3.06 13.12 0.00 -0.68 -0.36 105.19 122.45 3h1j n GLY 323 Ca -0.14 -0.46 -0.14 0.00 0.00 0.00 0.00 46.02 45.28 3h1j n GLY 323 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h1j s PHE 324 N -4.00 0.73 -0.12 1.61 -0.12 -0.18 0.87 117.98 116.77 3h1j s PHE 324 Ca 0.00 -0.42 0.02 0.00 -0.05 0.00 0.00 56.93 56.48 3h1j s PHE 324 Cb 0.00 -0.44 -0.00 0.00 -0.63 0.00 0.00 43.02 41.95 3h1j s PHE 324 CO 0.00 -0.05 -0.20 -0.47 -0.05 0.00 0.00 175.22 174.45 3h1j s TYR 325 N -1.13 2.67 0.15 3.49 6.04 -0.52 -1.05 117.35 127.00 3h1j s TYR 325 Ca -0.06 -1.05 0.09 0.00 0.04 0.00 0.00 57.07 56.09 3h1j s TYR 325 Cb -0.09 -1.79 -0.04 0.00 -1.04 0.00 0.00 41.96 39.01 3h1j s TYR 325 CO 0.01 -0.44 -0.20 0.95 -1.54 0.00 0.00 175.55 174.33 3h1j s THR 326 N 0.53 1.85 -0.03 4.34 -4.23 0.12 -1.10 115.64 117.12 3h1j s THR 326 Ca -0.12 -1.84 0.01 0.00 -1.18 0.00 0.00 61.69 58.55 3h1j s THR 326 Cb -0.17 -1.81 0.02 0.00 1.34 0.00 0.00 72.50 71.88 3h1j s THR 326 CO 0.04 -0.23 -0.03 -0.63 -0.54 0.00 0.00 174.62 173.23 3h1j s ILE 327 N -1.80 0.39 0.21 2.99 1.01 0.21 -1.05 121.20 123.16 3h1j s ILE 327 Ca 0.14 -0.09 -0.22 0.00 0.00 0.00 0.00 60.65 60.48 3h1j s ILE 327 Cb -0.07 -0.41 0.06 0.00 0.01 0.00 0.00 42.46 42.05 3h1j s ILE 327 CO 0.06 0.17 0.94 -0.94 0.00 0.00 0.00 174.94 175.17 3h1j s SER 328 N 0.64 -0.10 0.74 3.58 1.04 -1.09 -0.54 113.70 117.98 3h1j s SER 328 Ca -0.08 -0.63 -0.13 0.00 0.48 0.00 0.00 55.95 55.60 3h1j s SER 328 Cb -0.11 0.57 0.04 0.00 0.10 0.00 0.00 66.02 66.63 3h1j s SER 328 CO -0.00 -1.09 1.14 -1.10 0.98 0.00 0.00 173.24 173.16 3h1j s GLN 329 N -2.84 2.22 0.12 4.02 -0.21 -1.26 -1.24 119.66 120.47 3h1j s GLN 329 Ca 0.16 1.49 -0.21 0.00 0.02 0.00 0.00 55.36 56.82 3h1j s GLN 329 Cb -0.03 -1.87 -0.05 0.00 1.00 0.00 0.00 33.01 32.06 3h1j s GLN 329 CO 0.05 -1.72 1.71 0.00 -2.12 0.00 0.00 175.29 173.22 3h1j h ALA 330 N -0.58 0.11 -0.82 6.09 0.00 -1.80 -2.77 119.26 119.49 3h1j h ALA 330 Ca -0.46 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 3h1j h ALA 330 Cb 1.26 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 19.13 3h1j h ALA 330 CO 0.50 -0.48 0.47 0.00 0.00 0.00 0.00 179.25 179.74 3h1j h ALA 331 N 1.16 1.05 -0.20 0.00 0.00 -1.89 -2.42 119.26 116.95 3h1j h ALA 331 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3h1j h ALA 331 Cb 0.11 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3h1j h ALA 331 CO -0.16 0.54 0.00 0.72 0.00 0.00 0.00 179.25 180.35 3h1j n HIS 332 N -4.42 0.65 -0.13 0.00 8.25 -1.13 -4.14 115.22 114.30 3h1j n HIS 332 Ca 0.08 -0.23 -0.10 0.00 -0.26 0.00 0.00 57.72 57.21 3h1j n HIS 332 Cb 0.08 -0.21 -0.02 0.00 1.12 0.00 0.00 29.99 30.97 3h1j n HIS 332 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3h1j h ALA 333 N 2.79 0.50 0.49 -1.41 0.00 -1.15 -1.47 119.26 119.01 3h1j h ALA 333 Ca 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3h1j h ALA 333 Cb 0.90 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 3h1j h ALA 333 CO 0.14 0.23 -0.32 0.78 0.00 0.00 0.00 179.25 180.08 3h1j h GLY 334 N 0.47 -0.84 0.97 0.00 0.00 -1.48 -1.48 103.07 100.71 3h1j h GLY 334 Ca 0.11 0.36 -0.00 0.00 0.00 0.00 0.00 47.33 47.80 3h1j h GLY 334 CO 0.01 -0.31 -0.01 1.05 0.00 0.00 0.00 176.54 177.28 3h1j h GLU 335 N -0.78 -0.03 -0.55 4.80 4.11 -1.84 -1.12 114.58 119.17 3h1j h GLU 335 Ca -0.05 0.00 0.08 0.00 0.07 0.00 0.00 59.36 59.45 3h1j h GLU 335 Cb 0.65 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.84 3h1j h GLU 335 CO 0.04 0.01 0.20 0.28 0.07 0.00 0.00 179.01 179.61 3h1j h VAL 336 N -0.06 0.81 0.06 -1.06 2.07 -1.27 0.28 116.25 117.09 3h1j h VAL 336 Ca -0.00 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 3h1j h VAL 336 Cb 0.05 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 3h1j h VAL 336 CO 0.00 0.07 -0.03 0.40 0.02 0.00 0.00 177.57 178.04 3h1j h ILE 337 N 0.39 1.13 -0.30 4.57 2.04 -1.13 -2.46 117.51 121.74 3h1j h ILE 337 Ca 0.27 -0.63 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 3h1j h ILE 337 Cb 0.30 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 3h1j h ILE 337 CO -0.27 0.16 0.10 0.03 0.00 0.00 0.00 178.15 178.17 3h1j h ARG 338 N -0.36 0.47 -0.24 2.37 3.08 -1.00 -1.94 114.38 116.76 3h1j h ARG 338 Ca -0.01 -0.10 0.07 0.00 0.07 0.00 0.00 59.98 60.01 3h1j h ARG 338 Cb 0.32 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 3h1j h ARG 338 CO 0.01 0.51 0.27 0.00 -1.07 0.00 0.00 179.97 179.69 3h1j h ALA 339 N 0.94 1.87 0.00 0.04 0.00 -0.48 0.55 119.26 122.18 3h1j h ALA 339 Ca 0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 3h1j h ALA 339 Cb 0.23 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3h1j h ALA 339 CO -0.00 -0.40 -0.34 0.00 0.00 0.00 0.00 179.25 178.51 3h1j h ALA 340 N 1.68 0.82 0.06 0.00 0.00 -0.86 -2.62 119.26 118.35 3h1j h ALA 340 Ca 0.11 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3h1j h ALA 340 Cb 0.66 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3h1j h ALA 340 CO -0.00 0.26 -0.03 0.52 0.00 0.00 0.00 179.25 180.00 3h1j h MET 341 N 0.00 -0.08 -0.99 0.00 2.07 0.45 -2.98 114.93 113.40 3h1j h MET 341 Ca -0.01 0.01 0.06 0.00 -2.07 0.00 0.00 59.70 57.68 3h1j h MET 341 Cb 1.16 0.02 -0.06 0.00 -1.87 0.00 0.00 31.60 30.84 3h1j h MET 341 CO 0.02 0.44 0.64 -0.91 1.07 0.00 0.00 176.91 178.18 3h1j h ASN 342 N -0.94 1.04 0.05 1.22 2.35 -1.49 0.49 115.58 118.30 3h1j h ASN 342 Ca -0.01 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3h1j h ASN 342 Cb 0.56 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.71 3h1j h ASN 342 CO 0.01 0.67 -0.02 -0.61 -1.65 0.00 0.00 177.43 175.84 3h1j h GLN 343 N 1.18 0.00 0.00 0.81 5.75 -1.54 0.19 115.11 121.50 3h1j h GLN 343 Ca 0.42 0.00 -0.20 0.00 -0.15 0.00 0.00 58.65 58.72 3h1j h GLN 343 Cb 0.14 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.65 3h1j h GLN 343 CO -0.16 0.02 -1.44 1.25 -2.65 0.00 0.00 178.83 175.85 3h1j h LEU 344 N 0.00 0.00 0.06 -2.39 5.85 0.04 -3.32 115.31 115.55 3h1j h LEU 344 Ca -0.00 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.53 3h1j h LEU 344 Cb 0.05 0.00 0.02 0.00 0.37 0.00 0.00 40.66 41.10 3h1j h LEU 344 CO 0.00 0.70 -0.78 0.11 -0.34 0.00 0.00 178.44 178.13 3h1j h LYS 345 N 0.00 0.42 -0.58 1.25 1.57 0.10 -2.76 116.57 116.57 3h1j h LYS 345 Ca -0.19 -0.54 0.17 0.00 -1.87 0.00 0.00 60.65 58.23 3h1j h LYS 345 Cb 1.70 0.17 -0.02 0.00 0.08 0.00 0.00 32.23 34.16 3h1j h LYS 345 CO 0.06 1.20 0.47 0.00 -0.57 0.00 0.00 179.45 180.61 3h1j h ALA 346 N 0.25 2.46 0.00 3.86 0.00 -0.83 0.80 119.26 125.80 3h1j h ALA 346 Ca -0.12 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 3h1j h ALA 346 Cb 1.52 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.33 3h1j h ALA 346 CO 0.15 -0.77 -0.98 0.00 0.00 0.00 0.00 179.25 177.65 3h1j h ALA 347 N 1.61 0.60 0.00 0.00 0.00 -1.64 0.10 119.26 119.93 3h1j h ALA 347 Ca 0.28 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3h1j h ALA 347 Cb 1.21 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3h1j h ALA 347 CO -0.00 0.95 0.00 0.00 0.00 0.00 0.00 179.25 180.19 3h1j h ALA 348 N 1.31 1.00 -1.86 0.00 0.00 0.73 -3.30 119.26 117.14 3h1j h ALA 348 Ca -0.07 0.00 -0.70 0.00 0.00 0.00 0.00 54.91 54.13 3h1j h ALA 348 Cb 1.59 0.00 -0.35 0.00 0.00 0.00 0.00 17.79 19.03 3h1j h ALA 348 CO 0.08 0.00 0.17 1.04 0.00 0.00 0.00 179.25 180.54 3h1j n GLN 349 N -2.67 4.08 -0.96 0.00 6.02 0.81 -4.67 117.38 119.99 3h1j n GLN 349 Ca 0.04 -4.72 -0.03 0.00 -0.01 0.00 0.00 57.00 52.29 3h1j n GLN 349 Cb 0.45 -2.37 -0.01 0.00 1.02 0.00 0.00 30.24 29.33 3h1j n GLN 349 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3h1j n GLY 350 N 0.26 0.25 1.19 1.08 0.00 -1.25 -4.84 105.19 101.89 3h1j n GLY 350 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 3h1j n GLY 350 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1j n GLY 351 N 0.69 1.60 3.05 -0.02 0.00 0.35 -4.71 105.19 106.14 3h1j n GLY 351 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 3h1j n GLY 351 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h1j s VAL 352 N 0.36 1.56 0.31 1.61 1.01 -1.26 -4.64 120.40 119.35 3h1j s VAL 352 Ca 0.00 -0.65 -0.12 0.00 0.00 0.00 0.00 61.98 61.20 3h1j s VAL 352 Cb 0.00 -1.44 -0.08 0.00 0.00 0.00 0.00 36.38 34.87 3h1j s VAL 352 CO 0.00 0.45 0.69 -0.89 0.00 0.00 0.00 175.10 175.35 3h1j s THR 353 N 1.19 4.78 0.23 3.92 2.01 -1.26 -4.94 115.64 121.57 3h1j s THR 353 Ca -0.02 0.72 0.36 0.00 0.31 0.00 0.00 61.69 63.06 3h1j s THR 353 Cb -0.14 -3.64 0.39 0.00 0.01 0.00 0.00 72.50 69.11 3h1j s THR 353 CO -0.05 -0.23 2.08 -0.08 -0.69 0.00 0.00 174.62 175.64 3h1j h GLU 354 N 2.09 0.00 0.07 4.92 4.57 -1.99 -0.63 114.58 123.62 3h1j h GLU 354 Ca -0.47 0.00 -0.27 0.00 -1.18 0.00 0.00 59.36 57.44 3h1j h GLU 354 Cb 1.18 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.75 3h1j h GLU 354 CO 0.66 0.00 -1.32 1.49 -1.18 0.00 0.00 179.01 178.66 3h1j h GLU 355 N 0.00 0.16 0.15 1.92 4.81 -1.99 -2.82 114.58 116.80 3h1j h GLU 355 Ca 0.00 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 58.95 3h1j h GLU 355 Cb 0.27 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.75 3h1j h GLU 355 CO 0.00 1.04 -0.07 -0.44 -0.73 0.00 0.00 179.01 178.81 3h1j h ASP 356 N 0.04 -0.17 -0.31 1.04 3.32 -1.53 -1.90 116.42 116.91 3h1j h ASP 356 Ca -0.15 -0.15 0.09 0.00 0.02 0.00 0.00 57.03 56.83 3h1j h ASP 356 Cb 1.93 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 41.52 3h1j h ASP 356 CO 0.15 0.06 0.26 0.58 -1.72 0.00 0.00 179.24 178.58 3h1j h VAL 357 N -0.39 0.64 0.14 -1.35 2.07 -1.36 -1.46 116.25 114.53 3h1j h VAL 357 Ca -0.02 0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.21 3h1j h VAL 357 Cb 0.31 0.80 0.00 0.00 -1.52 0.00 0.00 31.29 30.89 3h1j h VAL 357 CO 0.03 0.00 -1.38 0.71 0.02 0.00 0.00 177.57 176.95 3h1j h THR 358 N 0.00 1.34 0.08 2.57 1.35 -1.21 -2.96 112.91 114.07 3h1j h THR 358 Ca 0.15 -2.92 -0.00 0.00 -0.55 0.00 0.00 66.41 63.08 3h1j h THR 358 Cb 0.67 2.88 0.00 0.00 -1.73 0.00 0.00 68.15 69.97 3h1j h THR 358 CO -0.00 0.86 -0.04 0.11 -0.25 0.00 0.00 175.52 176.20 3h1j h LYS 359 N 0.08 -0.10 -0.97 4.72 1.57 -0.50 -2.85 116.57 118.51 3h1j h LYS 359 Ca -0.19 0.01 0.14 0.00 -1.87 0.00 0.00 60.65 58.74 3h1j h LYS 359 Cb 2.01 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 34.26 3h1j h LYS 359 CO 0.19 0.20 0.61 0.00 -0.57 0.00 0.00 179.45 179.88 3h1j h ALA 360 N 0.49 1.63 0.00 3.86 0.00 -1.44 0.28 119.26 124.08 3h1j h ALA 360 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3h1j h ALA 360 Cb 0.35 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3h1j h ALA 360 CO 0.02 0.10 0.00 0.87 0.00 0.00 0.00 179.25 180.24 3h1j h LYS 361 N 0.88 0.00 0.00 0.00 1.57 -1.33 0.14 116.57 117.83 3h1j h LYS 361 Ca 0.50 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 59.16 3h1j h LYS 361 Cb 0.62 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 3h1j h LYS 361 CO -0.27 0.00 -0.81 -0.91 -0.57 0.00 0.00 179.45 176.89 3h1j h ASN 362 N 0.00 0.00 -0.73 0.86 2.35 -0.36 -2.73 115.58 114.96 3h1j h ASN 362 Ca 0.00 -0.34 0.16 0.00 -0.55 0.00 0.00 56.30 55.57 3h1j h ASN 362 Cb 0.16 0.00 -0.13 0.00 0.05 0.00 0.00 38.32 38.40 3h1j h ASN 362 CO 0.00 1.13 0.00 1.56 -1.65 0.00 0.00 177.43 178.47 3h1j h GLN 363 N -1.00 0.10 0.13 0.81 4.20 -0.96 1.42 115.11 119.81 3h1j h GLN 363 Ca -0.18 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.53 3h1j h GLN 363 Cb 0.92 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.67 3h1j h GLN 363 CO -0.11 0.07 -0.11 1.25 -0.67 0.00 0.00 178.83 179.26 3h1j h LEU 364 N 0.10 -0.28 -1.26 1.46 5.85 -0.87 0.37 115.31 120.69 3h1j h LEU 364 Ca 0.40 0.03 0.02 0.00 0.84 0.00 0.00 57.88 59.16 3h1j h LEU 364 Cb 0.69 0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.77 3h1j h LEU 364 CO -0.65 -0.17 0.51 0.11 -0.34 0.00 0.00 178.44 177.90 3h1j h LYS 365 N -0.25 0.97 0.16 1.25 1.57 -0.27 -1.64 116.57 118.36 3h1j h LYS 365 Ca -0.00 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 3h1j h LYS 365 Cb 0.23 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.32 3h1j h LYS 365 CO -0.02 0.64 -0.08 0.00 -0.57 0.00 0.00 179.45 179.43 3h1j h ALA 366 N 1.53 -0.74 -0.14 3.86 0.00 0.24 -2.07 119.26 121.94 3h1j h ALA 366 Ca 0.29 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.17 3h1j h ALA 366 Cb -0.04 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3h1j h ALA 366 CO -0.07 -0.73 -0.08 2.41 0.00 0.00 0.00 179.25 180.77 3h1j n THR 367 N -2.77 -0.10 -0.16 0.00 -1.04 0.13 -0.36 114.28 109.97 3h1j n THR 367 Ca -0.03 1.32 -0.07 0.00 -2.04 0.00 0.00 64.05 63.23 3h1j n THR 367 Cb 0.08 -1.72 -0.06 0.00 -1.82 0.00 0.00 70.33 66.81 3h1j n THR 367 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 3h1j h TYR 368 N 0.00 -1.03 -1.02 -1.42 3.20 -1.40 0.13 116.97 115.42 3h1j h TYR 368 Ca 0.02 0.06 0.26 0.00 3.14 0.00 0.00 58.73 62.21 3h1j h TYR 368 Cb 0.06 0.50 -0.12 0.00 1.54 0.00 0.00 36.73 38.72 3h1j h TYR 368 CO -0.76 -0.24 0.63 -0.07 -1.64 0.00 0.00 178.16 176.07 3h1j h LEU 369 N -0.11 0.58 0.20 2.82 3.38 -0.38 -1.91 115.31 119.90 3h1j h LEU 369 Ca 0.07 0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3h1j h LEU 369 Cb 0.28 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3h1j h LEU 369 CO -0.44 0.08 -0.10 0.24 0.09 0.00 0.00 178.44 178.31 3h1j h MET 370 N 0.50 -0.26 0.00 1.13 2.86 0.79 -3.23 114.93 116.71 3h1j h MET 370 Ca 0.64 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 58.29 3h1j h MET 370 Cb 1.37 0.06 0.00 0.00 0.06 0.00 0.00 31.60 33.09 3h1j h MET 370 CO -0.42 0.13 0.92 -1.13 1.06 0.00 0.00 176.91 177.47 3h1j n SER 371 N -4.97 0.00 -1.52 1.22 3.41 0.29 0.38 113.62 112.43 3h1j n SER 371 Ca -0.08 0.44 0.08 0.00 -0.26 0.00 0.00 58.87 59.05 3h1j n SER 371 Cb 0.26 0.00 0.35 0.00 -0.26 0.00 0.00 64.21 64.56 3h1j n SER 371 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3h1j n VAL 372 N -2.29 2.45 0.12 -3.33 0.24 -1.20 -4.21 118.33 110.11 3h1j n VAL 372 Ca 0.00 -1.51 -0.24 0.00 -2.04 0.00 0.00 64.34 60.55 3h1j n VAL 372 Cb 0.92 -0.19 -0.16 0.00 -1.47 0.00 0.00 33.84 32.94 3h1j n VAL 372 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3h1j h GLU 373 N 3.31 0.49 -6.82 7.34 5.08 -0.26 -3.35 114.58 120.37 3h1j h GLU 373 Ca 0.00 -0.84 -0.50 0.00 -1.00 0.00 0.00 59.36 57.02 3h1j h GLU 373 Cb 1.72 0.31 0.02 0.00 0.50 0.00 0.00 28.75 31.29 3h1j h GLU 373 CO 0.36 1.40 0.46 0.95 -1.00 0.00 0.00 179.01 181.19 3h1j s THR 374 N -2.56 3.53 0.30 1.13 -4.23 -1.26 -4.88 115.64 107.66 3h1j s THR 374 Ca -0.10 1.51 0.05 0.00 -1.18 0.00 0.00 61.69 61.96 3h1j s THR 374 Cb 0.04 -3.95 0.34 0.00 1.34 0.00 0.00 72.50 70.26 3h1j s THR 374 CO 0.92 0.34 1.62 0.00 -0.54 0.00 0.00 174.62 176.96 3h1j h ALA 375 N 3.73 1.38 -0.09 3.99 0.00 -1.95 0.14 119.26 126.45 3h1j h ALA 375 Ca -0.47 0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3h1j h ALA 375 Cb 1.21 0.38 -0.00 0.00 0.00 0.00 0.00 17.79 19.38 3h1j h ALA 375 CO 0.67 -0.55 -0.06 0.37 0.00 0.00 0.00 179.25 179.68 3h1j h GLN 376 N 0.14 0.20 -0.49 0.00 4.15 -1.95 -2.07 115.11 115.09 3h1j h GLN 376 Ca 0.60 -0.09 0.10 0.00 0.77 0.00 0.00 58.65 60.03 3h1j h GLN 376 Cb 1.29 -0.00 -0.09 0.00 0.21 0.00 0.00 27.48 28.88 3h1j h GLN 376 CO -0.73 0.58 -0.10 0.78 -1.93 0.00 0.00 178.83 177.43 3h1j h GLY 377 N -0.19 0.38 0.89 2.39 0.00 -0.95 0.14 103.07 105.72 3h1j h GLY 377 Ca 0.02 0.14 -0.05 0.00 0.00 0.00 0.00 47.33 47.45 3h1j h GLY 377 CO 0.02 -0.18 0.01 -2.00 0.00 0.00 0.00 176.54 174.39 3h1j h LEU 378 N 0.02 0.52 -1.57 3.11 5.85 -1.28 -1.23 115.31 120.74 3h1j h LEU 378 Ca 0.24 -0.30 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 3h1j h LEU 378 Cb 0.36 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 3h1j h LEU 378 CO -0.49 0.69 -0.05 0.25 -0.34 0.00 0.00 178.44 178.51 3h1j h LEU 379 N 0.34 0.20 -0.02 2.25 5.85 -0.70 -0.72 115.31 122.51 3h1j h LEU 379 Ca 0.09 -0.03 -0.14 0.00 0.84 0.00 0.00 57.88 58.64 3h1j h LEU 379 Cb 0.42 -0.05 0.01 0.00 0.37 0.00 0.00 40.66 41.41 3h1j h LEU 379 CO 0.01 0.29 -0.52 -1.13 -0.34 0.00 0.00 178.44 176.75 3h1j h ASN 380 N 0.22 0.50 0.01 1.25 -1.24 -0.57 -2.34 115.58 113.40 3h1j h ASN 380 Ca 0.05 -0.73 0.03 0.00 0.71 0.00 0.00 56.30 56.36 3h1j h ASN 380 Cb 0.23 -0.15 -0.04 0.00 0.73 0.00 0.00 38.32 39.09 3h1j h ASN 380 CO 0.01 1.16 -0.23 -0.08 -1.29 0.00 0.00 177.43 177.00 3h1j h GLU 381 N -0.11 -0.36 0.00 6.67 4.57 -0.83 0.24 114.58 124.76 3h1j h GLU 381 Ca -0.06 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3h1j h GLU 381 Cb 1.22 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.89 3h1j h GLU 381 CO 0.10 -0.24 0.00 -0.89 -1.18 0.00 0.00 179.01 176.81 3h1j n ILE 382 N -5.36 0.00 -0.12 2.32 5.41 -0.31 -3.20 119.36 118.10 3h1j n ILE 382 Ca -0.05 1.38 0.24 0.00 1.00 0.00 0.00 62.75 65.32 3h1j n ILE 382 Cb 0.27 -2.25 0.67 0.00 -0.71 0.00 0.00 39.64 37.63 3h1j n ILE 382 CO 0.00 0.00 0.00 1.23 0.00 0.00 0.00 176.55 177.78 3h1j h GLY 383 N 0.00 0.14 0.94 7.39 0.00 -1.44 -0.49 103.07 109.60 3h1j h GLY 383 Ca 0.00 -0.03 0.02 0.00 0.00 0.00 0.00 47.33 47.31 3h1j h GLY 383 CO 0.00 0.00 0.35 1.76 0.00 0.00 0.00 176.54 178.65 3h1j h SER 384 N 0.07 0.59 0.08 0.19 0.02 -0.90 -0.65 113.55 112.94 3h1j h SER 384 Ca 0.36 -0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 61.30 3h1j h SER 384 Cb 1.34 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3h1j h SER 384 CO -0.03 0.42 -0.04 -0.08 -1.14 0.00 0.00 176.83 175.96 3h1j h GLU 385 N 0.71 -0.10 0.00 3.45 4.81 -1.32 -2.40 114.58 119.73 3h1j h GLU 385 Ca 0.21 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 3h1j h GLU 385 Cb -0.03 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.37 3h1j h GLU 385 CO -0.07 0.46 0.33 0.00 -0.73 0.00 0.00 179.01 179.00 3h1j n ALA 386 N -2.54 0.59 -0.12 2.92 0.00 -0.27 -0.54 120.51 120.54 3h1j n ALA 386 Ca -0.08 0.12 -0.17 0.00 0.00 0.00 0.00 53.44 53.31 3h1j n ALA 386 Cb 0.30 -0.74 -0.13 0.00 0.00 0.00 0.00 19.45 18.88 3h1j n ALA 386 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3h1j n LEU 387 N -2.05 2.59 0.08 0.00 7.94 -0.27 -2.93 117.00 122.37 3h1j n LEU 387 Ca -0.01 -0.11 -0.10 0.00 -1.11 0.00 0.00 56.01 54.67 3h1j n LEU 387 Cb 0.35 -0.73 -0.02 0.00 0.53 0.00 0.00 43.42 43.54 3h1j n LEU 387 CO 0.06 0.88 0.23 -0.07 -1.11 0.00 0.00 177.39 177.37 3h1j h LEU 388 N 0.00 0.37 -2.58 -1.96 3.38 -0.29 -3.40 115.31 110.84 3h1j h LEU 388 Ca -0.57 -0.29 -0.16 0.00 0.09 0.00 0.00 57.88 56.95 3h1j h LEU 388 Cb 1.95 -0.11 -0.28 0.00 0.09 0.00 0.00 40.66 42.31 3h1j h LEU 388 CO -0.07 1.09 -0.72 -1.54 0.09 0.00 0.00 178.44 177.29 3h1j n SER 389 N -3.70 0.16 -1.87 -0.43 3.41 -0.00 -5.02 113.62 106.17 3h1j n SER 389 Ca -0.05 -2.00 -0.05 0.00 -0.26 0.00 0.00 58.87 56.52 3h1j n SER 389 Cb 0.82 -0.05 -0.01 0.00 -0.26 0.00 0.00 64.21 64.71 3h1j n SER 389 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h1j n GLY 390 N 0.29 -0.25 0.00 5.00 0.00 -1.15 -4.81 105.19 104.27 3h1j n GLY 390 Ca -0.08 0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.94 3h1j n GLY 390 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h1j n THR 391 N -1.54 0.00 -3.14 2.61 -2.24 -1.26 -4.93 114.28 103.78 3h1j n THR 391 Ca 0.01 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.82 3h1j n THR 391 Cb 0.26 0.00 -0.00 0.00 -2.10 0.00 0.00 70.33 68.48 3h1j n THR 391 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3h1j s HIS 392 N -0.19 -1.54 0.41 4.78 2.46 -1.26 -3.76 115.29 116.19 3h1j s HIS 392 Ca 0.00 0.48 -0.26 0.00 0.47 0.00 0.00 55.06 55.74 3h1j s HIS 392 Cb 0.00 0.28 -0.09 0.00 -0.13 0.00 0.00 32.58 32.64 3h1j s HIS 392 CO 0.00 -0.99 1.38 0.99 -2.47 0.00 0.00 174.74 173.65 3h1j s THR 393 N 2.22 2.32 0.13 0.89 2.01 -1.26 -4.98 115.64 116.97 3h1j s THR 393 Ca 0.15 0.29 -0.19 0.00 0.31 0.00 0.00 61.69 62.25 3h1j s THR 393 Cb -0.05 -3.17 -0.07 0.00 0.01 0.00 0.00 72.50 69.22 3h1j s THR 393 CO -0.14 0.05 0.62 0.00 -0.69 0.00 0.00 174.62 174.45 3h1j s ALA 394 N -1.21 3.53 -0.21 7.40 0.00 -1.26 -4.91 121.76 125.11 3h1j s ALA 394 Ca 0.57 0.06 0.03 0.00 0.00 0.00 0.00 51.96 52.62 3h1j s ALA 394 Cb -0.42 -2.68 0.16 0.00 0.00 0.00 0.00 23.12 20.18 3h1j s ALA 394 CO 0.54 0.39 0.83 -0.35 0.00 0.00 0.00 175.76 177.17 3h1j n PRO 395 N 1.28 0.02 0.00 0.00 -0.04 -1.26 0.23 135.00 135.23 3h1j n PRO 395 Ca -0.07 0.31 -0.11 0.00 -0.04 0.00 0.00 63.50 63.59 3h1j n PRO 395 Cb 0.51 -1.93 -0.09 0.00 -0.04 0.00 0.00 33.50 31.95 3h1j n PRO 395 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3h1j h SER 396 N 0.00 -0.09 -0.05 3.54 0.87 -2.00 -2.98 113.55 112.83 3h1j h SER 396 Ca 0.00 -0.50 -0.00 0.00 -1.23 0.00 0.00 61.79 60.05 3h1j h SER 396 Cb 0.72 0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.70 3h1j h SER 396 CO 0.00 0.57 0.03 0.58 -0.53 0.00 0.00 176.83 177.47 3h1j h VAL 397 N -0.87 1.09 -0.93 2.23 2.07 -0.60 -2.44 116.25 116.81 3h1j h VAL 397 Ca -0.01 -0.27 0.17 0.00 0.82 0.00 0.00 66.70 67.41 3h1j h VAL 397 Cb 0.59 1.18 -0.10 0.00 -1.52 0.00 0.00 31.29 31.44 3h1j h VAL 397 CO 0.02 0.08 0.51 1.62 0.02 0.00 0.00 177.57 179.82 3h1j h VAL 398 N -0.02 0.69 -0.95 2.57 3.04 -1.60 0.20 116.25 120.17 3h1j h VAL 398 Ca 0.02 -0.23 0.07 0.00 -1.01 0.00 0.00 66.70 65.55 3h1j h VAL 398 Cb 0.10 -0.03 -0.06 0.00 -2.01 0.00 0.00 31.29 29.29 3h1j h VAL 398 CO -0.00 0.12 0.62 0.00 -1.01 0.00 0.00 177.57 177.30 3h1j h ALA 399 N 1.62 1.47 0.45 3.17 0.00 -1.28 -2.68 119.26 122.00 3h1j h ALA 399 Ca 0.53 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.39 3h1j h ALA 399 Cb 0.81 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3h1j h ALA 399 CO -0.39 0.39 -0.21 1.96 0.00 0.00 0.00 179.25 180.99 3h1j h GLN 400 N 1.09 -0.58 -0.74 0.00 4.20 -0.38 -2.75 115.11 115.95 3h1j h GLN 400 Ca 0.41 0.04 0.21 0.00 0.06 0.00 0.00 58.65 59.38 3h1j h GLN 400 Cb 0.19 0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 3h1j h GLN 400 CO -0.16 -0.30 0.76 0.87 -0.67 0.00 0.00 178.83 179.33 3h1j h LYS 401 N -0.79 0.00 0.09 1.46 1.79 -1.11 -1.16 116.57 116.85 3h1j h LYS 401 Ca -0.06 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.40 3h1j h LYS 401 Cb 0.55 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.20 3h1j h LYS 401 CO 0.10 0.00 -0.04 0.82 -1.08 0.00 0.00 179.45 179.25 3h1j h ILE 402 N 0.00 0.00 0.00 1.86 2.04 -1.20 -3.33 117.51 116.88 3h1j h ILE 402 Ca 0.35 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.97 3h1j h ILE 402 Cb 1.86 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.94 3h1j h ILE 402 CO -0.00 0.00 0.00 -0.90 0.00 0.00 0.00 178.15 177.25 3h1j n ASP 403 N -2.99 0.00 0.00 1.72 5.68 -0.85 -0.98 116.55 119.13 3h1j n ASP 403 Ca -0.01 0.27 0.12 0.00 -0.50 0.00 0.00 54.79 54.67 3h1j n ASP 403 Cb 0.05 -0.33 0.60 0.00 -1.14 0.00 0.00 41.12 40.29 3h1j n ASP 403 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3h1j n SER 404 N -1.33 0.00 -4.71 -1.12 3.41 -0.50 -4.71 113.62 104.66 3h1j n SER 404 Ca 0.02 0.21 -0.42 0.00 -0.26 0.00 0.00 58.87 58.42 3h1j n SER 404 Cb 0.05 -0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 63.58 3h1j n SER 404 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3h1j s VAL 405 N -2.78 3.94 0.31 -3.33 1.01 -0.16 -5.02 120.40 114.37 3h1j s VAL 405 Ca 0.18 1.38 0.05 0.00 0.00 0.00 0.00 61.98 63.59 3h1j s VAL 405 Cb 0.17 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 3h1j s VAL 405 CO 0.43 0.09 0.46 0.42 0.00 0.00 0.00 175.10 176.49 3h1j s THR 406 N 1.27 4.64 0.36 3.92 -4.23 -1.26 -4.98 115.64 115.35 3h1j s THR 406 Ca 0.60 -0.88 0.11 0.00 -1.18 0.00 0.00 61.69 60.33 3h1j s THR 406 Cb -0.30 -3.64 0.33 0.00 1.34 0.00 0.00 72.50 70.23 3h1j s THR 406 CO 0.28 -0.29 1.84 -1.28 -0.54 0.00 0.00 174.62 174.64 3h1j h SER 407 N 0.93 0.62 0.67 3.99 0.87 -1.95 -2.45 113.55 116.22 3h1j h SER 407 Ca -0.49 0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.09 3h1j h SER 407 Cb 1.24 -0.06 0.01 0.00 -0.44 0.00 0.00 62.40 63.14 3h1j h SER 407 CO 0.57 0.28 -0.32 0.00 -0.53 0.00 0.00 176.83 176.83 3h1j h ALA 408 N 1.61 -1.08 -0.70 6.23 0.00 -1.97 -2.88 119.26 120.46 3h1j h ALA 408 Ca 0.48 -0.20 0.14 0.00 0.00 0.00 0.00 54.91 55.34 3h1j h ALA 408 Cb 0.89 0.35 -0.13 0.00 0.00 0.00 0.00 17.79 18.89 3h1j h ALA 408 CO -0.24 -1.02 -0.19 -0.25 0.00 0.00 0.00 179.25 177.56 3h1j n ASP 409 N -4.75 -0.27 0.34 0.00 8.00 -0.94 0.02 116.55 118.94 3h1j n ASP 409 Ca -0.11 1.21 -0.17 0.00 0.71 0.00 0.00 54.79 56.42 3h1j n ASP 409 Cb 0.35 -0.36 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 3h1j n ASP 409 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3h1j h VAL 410 N 0.00 0.00 -0.02 2.53 2.07 -1.47 -0.22 116.25 119.14 3h1j h VAL 410 Ca 0.33 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.85 3h1j h VAL 410 Cb 0.50 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 3h1j h VAL 410 CO -0.72 0.00 0.03 0.58 0.02 0.00 0.00 177.57 177.48 3h1j h VAL 411 N -1.02 0.32 0.72 2.57 2.07 -0.29 0.14 116.25 120.75 3h1j h VAL 411 Ca -0.08 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 3h1j h VAL 411 Cb 0.85 0.98 0.01 0.00 -1.52 0.00 0.00 31.29 31.60 3h1j h VAL 411 CO 0.02 0.00 -0.34 0.78 0.02 0.00 0.00 177.57 178.05 3h1j h ASN 412 N 0.00 -0.82 -0.69 0.57 2.35 0.42 -0.94 115.58 116.48 3h1j h ASN 412 Ca 0.01 0.02 0.15 0.00 -0.55 0.00 0.00 56.30 55.92 3h1j h ASN 412 Cb 0.06 0.21 -0.11 0.00 0.05 0.00 0.00 38.32 38.53 3h1j h ASN 412 CO -0.00 -0.44 0.09 0.00 -1.65 0.00 0.00 177.43 175.43 3h1j h ALA 413 N -1.19 0.79 -0.98 -0.83 0.00 -0.10 0.63 119.26 117.58 3h1j h ALA 413 Ca -0.10 0.18 0.22 0.00 0.00 0.00 0.00 54.91 55.21 3h1j h ALA 413 Cb 0.75 0.29 -0.12 0.00 0.00 0.00 0.00 17.79 18.71 3h1j h ALA 413 CO 0.16 -0.37 0.56 0.00 0.00 0.00 0.00 179.25 179.61 3h1j h ALA 414 N 1.60 1.67 -0.00 0.00 0.00 -0.81 -1.22 119.26 120.49 3h1j h ALA 414 Ca 0.38 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.40 3h1j h ALA 414 Cb 0.63 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.42 3h1j h ALA 414 CO -0.53 -0.19 -0.00 0.87 0.00 0.00 0.00 179.25 179.40 3h1j h LYS 415 N 0.62 0.00 -0.14 0.00 1.57 0.16 -3.06 116.57 115.72 3h1j h LYS 415 Ca 0.60 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.42 3h1j h LYS 415 Cb 1.05 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 3h1j h LYS 415 CO -0.44 0.69 0.66 -0.22 -0.57 0.00 0.00 179.45 179.57 3h1j h LYS 416 N -0.69 0.00 0.00 3.15 3.64 0.31 0.29 116.57 123.28 3h1j h LYS 416 Ca -0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 3h1j h LYS 416 Cb 0.69 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.51 3h1j h LYS 416 CO 0.00 0.00 -0.22 0.35 -2.27 0.00 0.00 179.45 177.31 3h1j h PHE 417 N 0.00 0.00 0.00 1.91 3.57 -1.34 -2.51 116.94 118.57 3h1j h PHE 417 Ca 0.07 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 3h1j h PHE 417 Cb 1.39 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 40.13 3h1j h PHE 417 CO 0.00 0.49 -0.00 0.28 -2.23 0.00 0.00 178.31 176.84 3h1j h VAL 418 N -1.00 0.70 0.00 1.41 2.07 -0.42 -3.21 116.25 115.80 3h1j h VAL 418 Ca -0.04 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3h1j h VAL 418 Cb 0.54 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 3h1j h VAL 418 CO -0.02 0.00 -0.26 0.77 0.02 0.00 0.00 177.57 178.08 3h1j h SER 419 N 0.00 0.00 -2.56 0.57 4.64 -1.16 -3.49 113.55 111.56 3h1j h SER 419 Ca -0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 3h1j h SER 419 Cb 0.01 0.00 0.23 0.00 -0.31 0.00 0.00 62.40 62.33 3h1j h SER 419 CO 0.00 0.58 -1.34 0.61 -0.87 0.00 0.00 176.83 175.81 3h1j n GLY 420 N 1.70 -3.47 3.75 -0.77 0.00 -0.94 -4.91 105.19 100.55 3h1j n GLY 420 Ca -0.04 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.82 3h1j n GLY 420 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h1j s LYS 421 N -2.71 4.63 0.34 1.61 2.20 -1.26 -4.94 119.74 119.61 3h1j s LYS 421 Ca 0.47 1.74 0.07 0.00 -0.36 0.00 0.00 55.97 57.90 3h1j s LYS 421 Cb -0.18 -3.24 -0.02 0.00 -1.51 0.00 0.00 37.83 32.88 3h1j s LYS 421 CO 0.76 0.17 0.32 0.15 -0.36 0.00 0.00 175.35 176.38 3h1j s LYS 422 N -0.89 2.74 0.15 4.03 1.02 -1.26 -4.23 119.74 121.30 3h1j s LYS 422 Ca 0.47 -1.29 0.06 0.00 0.02 0.00 0.00 55.97 55.23 3h1j s LYS 422 Cb -0.30 -2.50 -0.04 0.00 -0.52 0.00 0.00 37.83 34.47 3h1j s LYS 422 CO 0.37 0.06 -0.14 -1.12 -0.92 0.00 0.00 175.35 173.60 3h1j s SER 423 N -4.03 2.20 -0.17 2.83 0.01 0.01 -4.29 113.70 110.27 3h1j s SER 423 Ca 0.42 -0.89 -0.14 0.00 1.31 0.00 0.00 55.95 56.64 3h1j s SER 423 Cb -0.06 -0.09 0.05 0.00 0.21 0.00 0.00 66.02 66.13 3h1j s SER 423 CO 0.27 -0.16 0.44 -0.32 0.41 0.00 0.00 173.24 173.88 3h1j s MET 424 N -3.07 0.50 -0.03 12.44 1.75 -0.88 -1.79 119.30 128.22 3h1j s MET 424 Ca 0.14 0.65 0.03 0.00 -1.25 0.00 0.00 55.69 55.26 3h1j s MET 424 Cb -0.03 0.20 0.00 0.00 2.84 0.00 0.00 34.83 37.85 3h1j s MET 424 CO 0.04 -0.08 -0.10 0.00 -0.65 0.00 0.00 175.02 174.23 3h1j s ALA 425 N 0.46 0.97 0.19 4.11 0.00 -0.83 -1.52 121.76 125.13 3h1j s ALA 425 Ca -0.02 -0.37 -0.06 0.00 0.00 0.00 0.00 51.96 51.51 3h1j s ALA 425 Cb -0.04 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 3h1j s ALA 425 CO -0.02 0.15 0.24 0.00 0.00 0.00 0.00 175.76 176.13 3h1j s ALA 426 N 0.24 0.46 -0.27 0.00 0.00 -0.91 -1.31 121.76 119.97 3h1j s ALA 426 Ca -0.04 -1.24 -0.26 0.00 0.00 0.00 0.00 51.96 50.42 3h1j s ALA 426 Cb -0.10 1.07 0.12 0.00 0.00 0.00 0.00 23.12 24.22 3h1j s ALA 426 CO 0.01 -0.65 1.04 -1.54 0.00 0.00 0.00 175.76 174.62 3h1j s SER 427 N -3.05 -0.43 0.00 0.00 1.04 -0.77 -1.71 113.70 108.78 3h1j s SER 427 Ca 0.26 0.78 0.00 0.00 0.48 0.00 0.00 55.95 57.47 3h1j s SER 427 Cb 0.04 0.78 0.00 0.00 0.10 0.00 0.00 66.02 66.94 3h1j s SER 427 CO 0.06 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.72 3h1j n GLY 428 N 1.99 0.73 3.57 7.32 0.00 -0.40 -1.95 105.19 116.45 3h1j n GLY 428 Ca -0.12 -2.08 -0.38 0.00 0.00 0.00 0.00 46.02 43.43 3h1j n GLY 428 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3h1j s ASP 429 N -4.00 6.25 0.00 1.61 -1.08 -1.04 -1.72 116.67 116.69 3h1j s ASP 429 Ca 0.00 -1.61 0.00 0.00 -0.52 0.00 0.00 52.55 50.42 3h1j s ASP 429 Cb 0.00 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.89 3h1j s ASP 429 CO 0.00 -1.75 0.32 0.18 0.52 0.00 0.00 175.17 174.44 3h1j n LEU 430 N 10.03 0.43 -0.27 -1.34 4.77 -1.26 -4.39 117.00 124.96 3h1j n LEU 430 Ca 0.39 -0.21 0.04 0.00 -0.03 0.00 0.00 56.01 56.20 3h1j n LEU 430 Cb 0.49 -0.21 0.12 0.00 -2.33 0.00 0.00 43.42 41.49 3h1j n LEU 430 CO 0.68 0.11 0.74 1.23 -1.33 0.00 0.00 177.39 178.82 3h1j h GLY 431 N 3.14 0.68 -2.72 -0.72 0.00 -1.88 -1.21 103.07 100.36 3h1j h GLY 431 Ca 0.00 0.21 -0.18 0.00 0.00 0.00 0.00 47.33 47.36 3h1j h GLY 431 CO 0.00 -0.31 0.15 1.44 0.00 0.00 0.00 176.54 177.82 3h1j n SER 432 N -5.47 3.82 -4.75 0.19 7.64 -1.26 -4.98 113.62 108.82 3h1j n SER 432 Ca 0.12 -3.37 -0.37 0.00 1.01 0.00 0.00 58.87 56.27 3h1j n SER 432 Cb 0.44 -0.67 -0.07 0.00 -1.01 0.00 0.00 64.21 62.90 3h1j n SER 432 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 3h1j s THR 433 N -3.06 5.27 0.47 0.44 2.01 -0.46 -1.69 115.64 118.63 3h1j s THR 433 Ca 0.49 0.63 -0.16 0.00 0.31 0.00 0.00 61.69 62.96 3h1j s THR 433 Cb 0.41 -3.66 -0.08 0.00 0.01 0.00 0.00 72.50 69.18 3h1j s THR 433 CO 0.08 0.41 0.93 -2.16 -0.69 0.00 0.00 174.62 173.19 3h1j s PRO 434 N 0.24 3.95 0.46 4.92 0.04 -1.26 -5.00 135.00 138.34 3h1j s PRO 434 Ca 0.19 0.86 -0.08 0.00 0.04 0.00 0.00 61.00 62.01 3h1j s PRO 434 Cb -0.14 -2.21 -0.05 0.00 0.04 0.00 0.00 34.50 32.15 3h1j s PRO 434 CO 0.06 -0.17 0.80 -0.06 0.04 0.00 0.00 177.00 177.66 3h1j s PHE 435 N -2.49 3.52 0.30 0.56 0.40 -1.26 -4.97 117.98 114.05 3h1j s PHE 435 Ca 0.58 0.96 0.07 0.00 -0.60 0.00 0.00 56.93 57.93 3h1j s PHE 435 Cb -0.10 -2.40 0.82 0.00 0.51 0.00 0.00 43.02 41.85 3h1j s PHE 435 CO 0.28 -0.23 1.69 1.25 0.70 0.00 0.00 175.22 178.92 3h1j h LEU 436 N 0.68 0.41 -4.44 -0.37 5.85 -1.97 -1.73 115.31 113.73 3h1j h LEU 436 Ca -0.47 0.16 -0.39 0.00 0.84 0.00 0.00 57.88 58.02 3h1j h LEU 436 Cb 1.20 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 42.28 3h1j h LEU 436 CO 0.63 -0.01 0.88 -0.90 -0.34 0.00 0.00 178.44 178.70 3h1j n ASP 437 N -5.03 6.44 0.00 1.25 5.75 -1.26 -2.67 116.55 121.04 3h1j n ASP 437 Ca 0.25 -2.69 0.00 0.00 -0.01 0.00 0.00 54.79 52.34 3h1j n ASP 437 Cb 0.73 -1.41 0.00 0.00 -1.03 0.00 0.00 41.12 39.41 3h1j n ASP 437 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3h1j n GLU 438 N 2.36 0.00 0.00 0.11 1.02 -0.65 -5.21 120.64 118.27 3h1j n GLU 438 Ca 0.53 -0.01 0.09 0.00 -0.02 0.00 0.00 57.16 57.75 3h1j n GLU 438 Cb 0.65 -0.05 0.07 0.00 -0.02 0.00 0.00 31.44 32.10 3h1j n GLU 438 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59