#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h1h s THR 3 N 0.00 5.02 0.24 0.00 -4.23 -1.26 -4.90 115.64 110.51 3h1h s THR 3 Ca 0.00 0.24 -0.12 0.00 -1.18 0.00 0.00 61.69 60.63 3h1h s THR 3 Cb 0.00 -3.64 0.32 0.00 1.34 0.00 0.00 72.50 70.52 3h1h s THR 3 CO 0.00 -0.09 1.59 0.22 -0.54 0.00 0.00 174.62 175.79 3h1h h TYR 4 N 2.44 -0.56 -0.67 3.99 3.20 -2.05 0.39 116.97 123.72 3h1h h TYR 4 Ca -0.47 0.08 0.12 0.00 3.14 0.00 0.00 58.73 61.60 3h1h h TYR 4 Cb 1.17 0.37 -0.12 0.00 1.54 0.00 0.00 36.73 39.69 3h1h h TYR 4 CO 0.60 -0.37 -0.32 0.00 -1.64 0.00 0.00 178.16 176.44 3h1h h ALA 5 N 1.70 0.07 0.08 1.82 0.00 -2.01 -1.58 119.26 119.34 3h1h h ALA 5 Ca 0.38 0.20 -0.00 0.00 0.00 0.00 0.00 54.91 55.48 3h1h h ALA 5 Cb 0.60 0.78 0.00 0.00 0.00 0.00 0.00 17.79 19.17 3h1h h ALA 5 CO -0.85 -0.63 -0.04 1.96 0.00 0.00 0.00 179.25 179.70 3h1h h GLN 6 N -0.12 -0.10 -0.65 0.00 4.20 -0.75 -2.87 115.11 114.84 3h1h h GLN 6 Ca 0.27 0.01 0.19 0.00 0.06 0.00 0.00 58.65 59.17 3h1h h GLN 6 Cb 0.56 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 3h1h h GLN 6 CO -0.73 0.30 0.78 1.79 -0.67 0.00 0.00 178.83 180.30 3h1h h THR 7 N -0.53 0.18 0.00 -0.54 1.35 -0.20 0.30 112.91 113.49 3h1h h THR 7 Ca -0.01 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.85 3h1h h THR 7 Cb 0.45 0.36 0.00 0.00 -1.73 0.00 0.00 68.15 67.23 3h1h h THR 7 CO 0.02 0.00 -0.00 -0.07 -0.25 0.00 0.00 175.52 175.22 3h1h h LEU 8 N 0.00 -0.00 -1.25 3.87 3.38 -1.09 -3.30 115.31 116.92 3h1h h LEU 8 Ca 0.31 -0.91 0.07 0.00 0.09 0.00 0.00 57.88 57.43 3h1h h LEU 8 Cb 1.87 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.57 3h1h h LEU 8 CO -0.00 0.92 0.54 1.56 0.09 0.00 0.00 178.44 181.55 3h1h h GLN 9 N -0.94 0.88 0.00 1.13 4.20 -0.29 -1.62 115.11 118.47 3h1h h GLN 9 Ca -0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3h1h h GLN 9 Cb 0.91 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.49 3h1h h GLN 9 CO 0.00 0.58 0.00 0.09 -0.67 0.00 0.00 178.83 178.83 3h1h n ASN 10 N -4.49 0.00 -4.66 1.46 4.13 -0.19 -4.75 115.26 106.76 3h1h n ASN 10 Ca 0.12 -1.07 -0.43 0.00 1.68 0.00 0.00 54.58 54.88 3h1h n ASN 10 Cb 0.22 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.43 3h1h n ASN 10 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3h1h s ILE 11 N -2.00 4.56 0.77 2.41 1.01 -0.61 -4.98 121.20 122.36 3h1h s ILE 11 Ca 0.21 1.88 -0.16 0.00 0.00 0.00 0.00 60.65 62.57 3h1h s ILE 11 Cb 0.09 -4.21 -0.07 0.00 0.01 0.00 0.00 42.46 38.28 3h1h s ILE 11 CO 0.16 -0.14 0.12 -0.81 0.00 0.00 0.00 174.94 174.27 3h1h n PRO 12 N 6.24 0.10 -1.99 2.79 -0.04 -1.26 -4.95 135.00 135.89 3h1h n PRO 12 Ca 0.12 0.06 -0.30 0.00 -0.04 0.00 0.00 63.50 63.35 3h1h n PRO 12 Cb 0.46 -1.51 0.03 0.00 -0.04 0.00 0.00 33.50 32.43 3h1h n PRO 12 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3h1h s GLU 13 N -2.40 3.20 -0.35 0.54 2.12 -1.26 -4.99 118.70 115.56 3h1h s GLU 13 Ca 0.58 0.50 -0.12 0.00 0.36 0.00 0.00 54.97 56.29 3h1h s GLU 13 Cb -0.32 -2.09 0.00 0.00 0.26 0.00 0.00 34.13 31.98 3h1h s GLU 13 CO 0.66 -0.76 0.22 0.99 -0.54 0.00 0.00 175.26 175.82 3h1h s THR 14 N -3.21 4.90 0.04 -1.70 2.01 -1.26 -4.59 115.64 111.83 3h1h s THR 14 Ca 0.56 -0.53 -0.30 0.00 0.31 0.00 0.00 61.69 61.73 3h1h s THR 14 Cb -0.11 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.75 3h1h s THR 14 CO 0.51 -0.10 0.98 0.20 -0.69 0.00 0.00 174.62 175.52 3h1h s ASN 15 N 1.64 7.41 -0.09 3.53 0.01 -0.98 -4.87 114.94 121.59 3h1h s ASN 15 Ca 0.04 1.71 -0.01 0.00 -0.71 0.00 0.00 52.86 53.89 3h1h s ASN 15 Cb -0.18 -2.58 0.03 0.00 0.41 0.00 0.00 41.25 38.93 3h1h s ASN 15 CO 0.08 -0.20 -0.04 -0.69 -1.51 0.00 0.00 177.10 174.74 3h1h s VAL 16 N 0.70 0.73 -0.01 1.60 1.01 -1.26 -2.33 120.40 120.84 3h1h s VAL 16 Ca 0.51 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.40 3h1h s VAL 16 Cb -0.22 -0.80 -0.00 0.00 0.00 0.00 0.00 36.38 35.35 3h1h s VAL 16 CO 0.29 0.32 -0.07 0.42 0.00 0.00 0.00 175.10 176.05 3h1h s THR 17 N 1.77 0.55 -0.15 3.92 -4.23 -0.61 -4.99 115.64 111.91 3h1h s THR 17 Ca 0.04 -0.30 -0.08 0.00 -1.18 0.00 0.00 61.69 60.17 3h1h s THR 17 Cb -0.13 -0.47 -0.04 0.00 1.34 0.00 0.00 72.50 73.20 3h1h s THR 17 CO -0.06 0.16 0.14 -0.89 -0.54 0.00 0.00 174.62 173.42 3h1h s THR 18 N -0.15 5.47 0.00 3.99 2.01 -1.26 -0.55 115.64 125.15 3h1h s THR 18 Ca 0.02 0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.22 3h1h s THR 18 Cb -0.03 -3.42 0.00 0.00 0.01 0.00 0.00 72.50 69.06 3h1h s THR 18 CO -0.00 0.56 0.00 0.18 -0.69 0.00 0.00 174.62 174.67 3h1h n LEU 19 N 2.50 0.00 -0.00 4.42 4.77 0.21 -4.97 117.00 123.92 3h1h n LEU 19 Ca -0.19 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.59 3h1h n LEU 19 Cb 0.54 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.49 3h1h n LEU 19 CO 0.33 -0.08 -0.81 0.47 -1.33 0.00 0.00 177.39 175.97 3h1h n ASP 20 N 0.00 2.03 0.00 -1.43 8.00 -1.26 -3.93 116.55 119.96 3h1h n ASP 20 Ca 0.00 0.21 0.07 0.00 0.71 0.00 0.00 54.79 55.78 3h1h n ASP 20 Cb 0.00 -0.78 0.44 0.00 -0.02 0.00 0.00 41.12 40.75 3h1h n ASP 20 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3h1h n ASN 21 N -3.44 0.00 0.00 -2.24 0.23 -1.26 -4.82 115.26 103.73 3h1h n ASN 21 Ca -0.31 -0.43 0.00 0.00 -0.53 0.00 0.00 54.58 53.31 3h1h n ASN 21 Cb 1.05 -0.02 0.00 0.00 -2.08 0.00 0.00 39.78 38.73 3h1h n ASN 21 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3h1h n GLY 22 N -0.07 1.29 3.76 4.83 0.00 -1.25 -3.90 105.19 109.85 3h1h n GLY 22 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 3h1h n GLY 22 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3h1h s LEU 23 N 0.00 4.04 -0.14 0.99 0.20 -1.15 -4.04 118.68 118.57 3h1h s LEU 23 Ca 0.00 2.61 -0.01 0.00 0.69 0.00 0.00 54.13 57.42 3h1h s LEU 23 Cb 0.00 -4.11 -0.02 0.00 -0.43 0.00 0.00 46.19 41.63 3h1h s LEU 23 CO 0.00 -1.11 -0.10 -0.13 -0.29 0.00 0.00 176.35 174.71 3h1h s ARG 24 N -2.59 3.47 -0.18 1.98 0.52 -1.20 -0.62 118.95 120.33 3h1h s ARG 24 Ca 0.64 -0.64 -0.03 0.00 -0.52 0.00 0.00 55.73 55.17 3h1h s ARG 24 Cb -0.36 -2.71 -0.02 0.00 0.52 0.00 0.00 34.95 32.38 3h1h s ARG 24 CO 0.45 0.23 -0.05 0.08 0.02 0.00 0.00 175.30 176.03 3h1h s VAL 25 N 0.34 3.55 0.07 3.52 1.01 0.29 -0.92 120.40 128.26 3h1h s VAL 25 Ca -0.09 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.45 3h1h s VAL 25 Cb -0.15 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 3h1h s VAL 25 CO 0.05 0.46 -0.06 0.00 0.00 0.00 0.00 175.10 175.55 3h1h s ALA 26 N 0.87 0.70 -0.18 5.51 0.00 0.50 -1.58 121.76 127.58 3h1h s ALA 26 Ca -0.01 -1.05 -0.31 0.00 0.00 0.00 0.00 51.96 50.59 3h1h s ALA 26 Cb -0.15 0.13 0.14 0.00 0.00 0.00 0.00 23.12 23.25 3h1h s ALA 26 CO 0.01 -0.16 1.13 -1.54 0.00 0.00 0.00 175.76 175.20 3h1h s SER 27 N -2.35 -0.22 -0.21 0.00 1.04 -0.98 -1.17 113.70 109.79 3h1h s SER 27 Ca 0.01 0.16 0.02 0.00 0.48 0.00 0.00 55.95 56.61 3h1h s SER 27 Cb -0.01 0.20 0.04 0.00 0.10 0.00 0.00 66.02 66.35 3h1h s SER 27 CO -0.03 -0.26 -0.13 -0.70 0.98 0.00 0.00 173.24 173.09 3h1h s GLU 28 N -1.65 2.33 -0.11 4.02 2.12 -0.46 -2.32 118.70 122.64 3h1h s GLU 28 Ca 0.05 -1.00 -0.23 0.00 0.36 0.00 0.00 54.97 54.14 3h1h s GLU 28 Cb -0.01 -2.61 -0.03 0.00 0.26 0.00 0.00 34.13 31.74 3h1h s GLU 28 CO -0.04 -0.42 0.70 -2.00 -0.54 0.00 0.00 175.26 172.96 3h1h s GLU 29 N 1.27 4.36 0.46 4.30 2.12 -1.26 -2.04 118.70 127.92 3h1h s GLU 29 Ca -0.02 0.83 0.03 0.00 0.36 0.00 0.00 54.97 56.17 3h1h s GLU 29 Cb -0.17 -3.49 -0.01 0.00 0.26 0.00 0.00 34.13 30.72 3h1h s GLU 29 CO -0.08 -0.06 0.08 -1.54 -0.54 0.00 0.00 175.26 173.12 3h1h s SER 30 N 0.93 3.42 -0.14 -1.70 1.04 0.40 -4.86 113.70 112.79 3h1h s SER 30 Ca 0.35 -1.71 0.04 0.00 0.48 0.00 0.00 55.95 55.11 3h1h s SER 30 Cb -0.17 0.60 0.30 0.00 0.10 0.00 0.00 66.02 66.85 3h1h s SER 30 CO 0.15 -0.95 1.20 -0.24 0.98 0.00 0.00 173.24 174.39 3h1h n SER 31 N -1.37 3.13 -4.70 7.02 2.88 -1.26 -3.84 113.62 115.48 3h1h n SER 31 Ca -0.12 -2.52 -0.38 0.00 -1.33 0.00 0.00 58.87 54.51 3h1h n SER 31 Cb 0.66 -0.61 -0.06 0.00 -0.75 0.00 0.00 64.21 63.45 3h1h n SER 31 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3h1h s GLN 32 N -1.52 4.29 0.59 -1.46 -0.21 -1.26 -4.91 119.66 115.19 3h1h s GLN 32 Ca 0.23 0.45 0.35 0.00 0.02 0.00 0.00 55.36 56.41 3h1h s GLN 32 Cb 0.18 -3.48 1.89 0.00 1.00 0.00 0.00 33.01 32.60 3h1h s GLN 32 CO 0.05 0.05 2.21 -1.00 -2.12 0.00 0.00 175.29 174.48 3h1h h PRO 33 N 6.98 0.00 -6.12 2.91 0.13 -1.93 0.31 132.00 134.29 3h1h h PRO 33 Ca -0.38 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.19 3h1h h PRO 33 Cb 1.17 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.21 3h1h h PRO 33 CO 0.75 0.03 -0.60 -0.08 -0.23 0.00 0.00 178.00 177.87 3h1h s THR 34 N -4.21 3.09 0.24 1.56 -1.32 -1.26 -0.58 115.64 113.16 3h1h s THR 34 Ca -0.04 -1.86 -0.07 0.00 -1.21 0.00 0.00 61.69 58.52 3h1h s THR 34 Cb 0.13 -2.87 0.03 0.00 -1.51 0.00 0.00 72.50 68.27 3h1h s THR 34 CO 0.51 -0.27 0.43 0.00 -2.21 0.00 0.00 174.62 173.09 3h1h s THR 36 N -2.51 -0.28 0.06 0.00 2.01 -0.39 -1.94 115.64 112.58 3h1h s THR 36 Ca 0.12 0.26 0.06 0.00 0.31 0.00 0.00 61.69 62.44 3h1h s THR 36 Cb -0.02 -0.38 -0.03 0.00 0.01 0.00 0.00 72.50 72.08 3h1h s THR 36 CO 0.09 0.08 -0.17 0.68 -0.69 0.00 0.00 174.62 174.60 3h1h s VAL 37 N 2.31 1.39 -0.03 3.82 -7.23 -0.36 -1.18 120.40 119.12 3h1h s VAL 37 Ca 0.03 -1.22 -0.31 0.00 -1.81 0.00 0.00 61.98 58.68 3h1h s VAL 37 Cb -0.13 -1.26 0.11 0.00 0.56 0.00 0.00 36.38 35.67 3h1h s VAL 37 CO -0.07 0.01 1.19 -0.83 -0.31 0.00 0.00 175.10 175.09 3h1h s GLY 38 N -1.40 -0.36 -0.20 2.32 0.00 0.13 0.19 107.32 107.99 3h1h s GLY 38 Ca 0.04 0.84 -0.06 0.00 0.00 0.00 0.00 44.72 45.53 3h1h s GLY 38 CO 0.02 0.21 0.03 0.54 0.00 0.00 0.00 173.10 173.90 3h1h s VAL 39 N -2.60 4.27 -0.29 1.40 0.11 -0.42 -0.54 120.40 122.32 3h1h s VAL 39 Ca 0.12 -0.21 -0.08 0.00 -2.93 0.00 0.00 61.98 58.88 3h1h s VAL 39 Cb 0.02 -2.94 -0.01 0.00 -1.53 0.00 0.00 36.38 31.92 3h1h s VAL 39 CO -0.03 0.42 0.12 0.26 -3.33 0.00 0.00 175.10 172.53 3h1h s TRP 40 N 0.92 3.15 -0.03 1.54 0.51 -0.17 -1.97 118.94 122.89 3h1h s TRP 40 Ca 0.02 -0.62 -0.03 0.00 -2.12 0.00 0.00 56.10 53.35 3h1h s TRP 40 Cb -0.14 -2.31 -0.04 0.00 -0.81 0.00 0.00 33.47 30.17 3h1h s TRP 40 CO 0.02 -0.46 0.13 0.42 -0.51 0.00 0.00 176.95 176.56 3h1h s ILE 41 N 1.59 5.17 -1.28 2.03 1.01 0.13 -2.32 121.20 127.54 3h1h s ILE 41 Ca 0.05 -0.17 -0.07 0.00 0.00 0.00 0.00 60.65 60.45 3h1h s ILE 41 Cb -0.17 -3.36 0.17 0.00 0.01 0.00 0.00 42.46 39.11 3h1h s ILE 41 CO 0.05 0.41 2.02 0.61 0.00 0.00 0.00 174.94 178.02 3h1h n GLY 42 N 1.29 4.99 3.27 6.18 0.00 -0.77 -1.07 105.19 119.06 3h1h n GLY 42 Ca -0.14 -2.14 -0.12 0.00 0.00 0.00 0.00 46.02 43.63 3h1h n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1h s ALA 43 N -0.48 0.98 0.00 4.61 0.00 -1.26 -4.95 121.76 120.67 3h1h s ALA 43 Ca 0.44 -1.59 0.00 0.00 0.00 0.00 0.00 51.96 50.81 3h1h s ALA 43 Cb 0.12 1.34 0.00 0.00 0.00 0.00 0.00 23.12 24.59 3h1h s ALA 43 CO -0.02 -0.64 0.00 0.41 0.00 0.00 0.00 175.76 175.51 3h1h n GLY 44 N -0.31 1.20 0.33 0.00 0.00 -1.26 -1.36 105.19 103.79 3h1h n GLY 44 Ca 0.02 -1.44 0.23 0.00 0.00 0.00 0.00 46.02 44.82 3h1h n GLY 44 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3h1h h SER 45 N 0.00 0.49 -1.00 1.61 4.64 -1.43 0.65 113.55 118.51 3h1h h SER 45 Ca 0.00 0.19 0.12 0.00 -0.47 0.00 0.00 61.79 61.63 3h1h h SER 45 Cb 0.00 0.14 -0.08 0.00 -0.31 0.00 0.00 62.40 62.15 3h1h h SER 45 CO 0.00 -0.12 0.63 -0.09 -0.87 0.00 0.00 176.83 176.38 3h1h h ARG 46 N 0.34 0.95 0.00 4.77 2.43 -0.75 0.75 114.38 122.87 3h1h h ARG 46 Ca 0.72 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.83 3h1h h ARG 46 Cb 1.60 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.94 3h1h h ARG 46 CO -0.60 0.63 0.00 0.66 -1.51 0.00 0.00 179.97 179.15 3h1h n TYR 47 N -4.61 0.00 -1.85 2.20 4.02 0.23 -4.77 117.16 112.38 3h1h n TYR 47 Ca 0.19 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.93 3h1h n TYR 47 Cb 0.36 -0.14 0.09 0.00 -0.02 0.00 0.00 39.34 39.62 3h1h n TYR 47 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3h1h n GLU 48 N -1.14 -0.35 -3.61 -0.72 1.02 0.26 -4.97 120.64 111.12 3h1h n GLU 48 Ca 0.14 -1.24 -0.14 0.00 -0.02 0.00 0.00 57.16 55.89 3h1h n GLU 48 Cb 0.13 -0.59 -0.06 0.00 -0.02 0.00 0.00 31.44 30.90 3h1h n GLU 48 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3h1h n ASN 49 N -3.27 -0.53 -0.03 1.62 6.94 -1.26 -4.94 115.26 113.78 3h1h n ASN 49 Ca 0.09 -2.59 0.12 0.00 -0.02 0.00 0.00 54.58 52.18 3h1h n ASN 49 Cb 0.31 1.24 0.53 0.00 -2.36 0.00 0.00 39.78 39.50 3h1h n ASN 49 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 3h1h h GLU 50 N 0.00 0.33 0.00 -3.83 4.81 -1.98 -0.63 114.58 113.28 3h1h h GLU 50 Ca -0.17 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 58.93 3h1h h GLU 50 Cb 0.87 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.16 3h1h h GLU 50 CO 0.25 0.22 -1.36 1.63 -0.73 0.00 0.00 179.01 179.01 3h1h n LYS 51 N -4.47 0.62 -0.08 1.92 5.02 -1.26 -4.28 118.16 115.64 3h1h n LYS 51 Ca 0.08 0.15 0.03 0.00 -2.02 0.00 0.00 58.31 56.55 3h1h n LYS 51 Cb 0.34 -1.78 0.07 0.00 -0.02 0.00 0.00 35.03 33.64 3h1h n LYS 51 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3h1h n ASN 52 N -2.77 2.35 -4.63 4.39 0.23 -1.13 -4.95 115.26 108.75 3h1h n ASN 52 Ca -0.07 -1.91 -0.49 0.00 -0.53 0.00 0.00 54.58 51.57 3h1h n ASN 52 Cb 0.74 -0.10 -0.05 0.00 -2.08 0.00 0.00 39.78 38.29 3h1h n ASN 52 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 3h1h n ASN 53 N 0.04 3.10 0.00 0.53 4.05 -0.26 -0.83 115.26 121.90 3h1h n ASN 53 Ca 0.06 0.79 0.00 0.00 0.45 0.00 0.00 54.58 55.88 3h1h n ASN 53 Cb 0.32 -1.35 0.00 0.00 1.23 0.00 0.00 39.78 39.98 3h1h n ASN 53 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3h1h n GLY 54 N 4.94 1.29 0.31 8.20 0.00 -1.26 -4.08 105.19 114.59 3h1h n GLY 54 Ca 0.27 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.12 3h1h n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1h h ALA 55 N 0.00 -0.73 -0.52 4.61 0.00 -1.29 -0.57 119.26 120.76 3h1h h ALA 55 Ca 0.00 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 54.90 3h1h h ALA 55 Cb 0.00 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3h1h h ALA 55 CO 0.00 -0.91 0.68 0.78 0.00 0.00 0.00 179.25 179.79 3h1h h GLY 56 N -0.73 0.00 0.80 0.00 0.00 -1.92 0.71 103.07 101.93 3h1h h GLY 56 Ca -0.07 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.91 3h1h h GLY 56 CO 0.11 0.00 -1.86 -1.82 0.00 0.00 0.00 176.54 172.98 3h1h h TYR 57 N 0.00 0.44 -0.45 5.60 3.20 -1.67 -2.70 116.97 121.39 3h1h h TYR 57 Ca 0.25 -0.32 -0.06 0.00 3.14 0.00 0.00 58.73 61.73 3h1h h TYR 57 Cb 1.60 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.83 3h1h h TYR 57 CO 0.00 1.60 0.02 0.35 -1.64 0.00 0.00 178.16 178.48 3h1h h PHE 58 N 0.07 0.76 -0.19 -3.82 3.57 0.14 -1.43 116.94 116.05 3h1h h PHE 58 Ca -0.37 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.02 3h1h h PHE 58 Cb 2.04 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 40.56 3h1h h PHE 58 CO 0.07 0.71 0.04 0.28 -2.23 0.00 0.00 178.31 177.17 3h1h h VAL 59 N 0.69 1.21 -0.95 1.41 2.07 0.06 -2.40 116.25 118.34 3h1h h VAL 59 Ca 0.14 -0.69 0.17 0.00 0.82 0.00 0.00 66.70 67.14 3h1h h VAL 59 Cb 0.40 1.31 -0.08 0.00 -1.52 0.00 0.00 31.29 31.40 3h1h h VAL 59 CO 0.01 0.21 0.60 -0.08 0.02 0.00 0.00 177.57 178.34 3h1h h GLU 60 N 0.11 0.65 0.00 1.57 4.81 -1.02 0.24 114.58 120.95 3h1h h GLU 60 Ca 0.06 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3h1h h GLU 60 Cb 0.29 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.52 3h1h h GLU 60 CO 0.00 0.43 0.00 0.45 -0.73 0.00 0.00 179.01 179.16 3h1h h HIS 61 N 0.67 0.00 0.00 0.92 3.86 -0.77 -3.17 115.15 116.66 3h1h h HIS 61 Ca 0.50 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.71 3h1h h HIS 61 Cb 0.88 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.35 3h1h h HIS 61 CO -0.00 0.00 -0.56 1.28 0.86 0.00 0.00 177.93 179.51 3h1h n LEU 62 N -2.48 0.21 -0.26 2.43 4.77 0.60 -4.57 117.00 117.70 3h1h n LEU 62 Ca 0.01 -0.36 0.25 0.00 -0.03 0.00 0.00 56.01 55.88 3h1h n LEU 62 Cb 0.24 0.00 0.60 0.00 -2.33 0.00 0.00 43.42 41.93 3h1h n LEU 62 CO 0.21 0.05 1.25 0.00 -1.33 0.00 0.00 177.39 177.57 3h1h h ALA 63 N 0.78 2.50 0.00 -1.18 0.00 -0.82 -1.21 119.26 119.34 3h1h h ALA 63 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3h1h h ALA 63 Cb 0.18 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3h1h h ALA 63 CO 0.00 -0.82 -1.75 1.19 0.00 0.00 0.00 179.25 177.87 3h1h n PHE 64 N -4.44 0.08 0.43 0.00 0.99 -1.26 -4.41 117.46 108.85 3h1h n PHE 64 Ca 0.22 0.02 0.00 0.00 -0.00 0.00 0.00 57.45 57.69 3h1h n PHE 64 Cb 0.89 -0.46 0.00 0.00 -1.00 0.00 0.00 39.48 38.91 3h1h n PHE 64 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 3h1h n LYS 65 N -2.17 0.43 0.00 -1.08 4.76 -0.45 -4.80 118.16 114.85 3h1h n LYS 65 Ca -0.02 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.42 3h1h n LYS 65 Cb 0.53 -1.25 0.00 0.00 -1.84 0.00 0.00 35.03 32.47 3h1h n LYS 65 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3h1h n GLY 66 N 0.55 0.51 1.46 0.72 0.00 -1.26 -3.80 105.19 103.38 3h1h n GLY 66 Ca 0.00 -1.62 -0.09 0.00 0.00 0.00 0.00 46.02 44.31 3h1h n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h1h n THR 67 N 0.78 0.00 0.01 2.61 -2.24 -1.20 -1.23 114.28 113.02 3h1h n THR 67 Ca 0.00 -0.82 -0.18 0.00 -2.27 0.00 0.00 64.05 60.79 3h1h n THR 67 Cb 0.00 -0.42 -0.10 0.00 -2.10 0.00 0.00 70.33 67.71 3h1h n THR 67 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3h1h h LYS 68 N 0.00 0.50 -0.42 -0.78 1.57 -1.67 -3.10 116.57 112.66 3h1h h LYS 68 Ca -0.13 -0.51 -0.04 0.00 -1.87 0.00 0.00 60.65 58.10 3h1h h LYS 68 Cb 0.48 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 3h1h h LYS 68 CO 0.20 1.15 0.07 -0.22 -0.57 0.00 0.00 179.45 180.08 3h1h h LYS 69 N 0.05 0.63 -2.20 3.15 3.64 -1.96 -3.39 116.57 116.49 3h1h h LYS 69 Ca -0.08 -0.12 -0.40 0.00 -1.27 0.00 0.00 60.65 58.78 3h1h h LYS 69 Cb 1.38 -0.10 -0.34 0.00 -0.41 0.00 0.00 32.23 32.76 3h1h h LYS 69 CO 0.14 0.60 -0.70 -0.98 -2.27 0.00 0.00 179.45 176.24 3h1h s ARG 70 N -5.11 0.46 0.91 1.90 1.70 -1.24 -5.11 118.95 112.46 3h1h s ARG 70 Ca -0.08 -0.62 -0.14 0.00 -0.47 0.00 0.00 55.73 54.41 3h1h s ARG 70 Cb 0.16 -0.82 0.05 0.00 -0.57 0.00 0.00 34.95 33.76 3h1h s ARG 70 CO 0.77 -1.12 -0.19 -0.35 -1.08 0.00 0.00 175.30 173.34 3h1h n PRO 71 N 4.72 -1.20 0.00 3.89 -0.04 -1.17 -3.21 135.00 137.99 3h1h n PRO 71 Ca 0.05 -0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.15 3h1h n PRO 71 Cb 0.44 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.60 3h1h n PRO 71 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3h1h n ALA 73 N -1.66 -0.58 0.15 0.00 0.00 -1.26 -0.77 120.51 116.39 3h1h n ALA 73 Ca 0.00 0.77 -0.14 0.00 0.00 0.00 0.00 53.44 54.07 3h1h n ALA 73 Cb 0.00 -0.12 -0.06 0.00 0.00 0.00 0.00 19.45 19.27 3h1h n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h1h h ALA 74 N 0.44 -0.56 -0.34 0.00 0.00 -1.82 0.77 119.26 117.74 3h1h h ALA 74 Ca 0.15 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.06 3h1h h ALA 74 Cb 0.37 0.45 -0.07 0.00 0.00 0.00 0.00 17.79 18.54 3h1h h ALA 74 CO -0.85 -0.86 -0.15 0.35 0.00 0.00 0.00 179.25 177.74 3h1h h PHE 75 N -0.57 -0.36 0.53 0.00 3.57 0.49 0.33 116.94 120.94 3h1h h PHE 75 Ca 0.01 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 3h1h h PHE 75 Cb 0.56 0.21 0.00 0.00 2.79 0.00 0.00 35.95 39.51 3h1h h PHE 75 CO -0.23 -0.22 -0.27 0.93 -2.23 0.00 0.00 178.31 176.29 3h1h h GLU 76 N -0.09 -0.72 -0.80 1.11 5.08 -0.76 -2.63 114.58 115.77 3h1h h GLU 76 Ca 0.17 0.05 0.13 0.00 -1.00 0.00 0.00 59.36 58.71 3h1h h GLU 76 Cb 0.35 0.16 -0.09 0.00 0.50 0.00 0.00 28.75 29.68 3h1h h GLU 76 CO -0.40 -0.48 0.40 -0.22 -1.00 0.00 0.00 179.01 177.31 3h1h h LYS 77 N -0.74 0.59 -0.03 2.33 3.64 -0.30 -1.18 116.57 120.88 3h1h h LYS 77 Ca -0.07 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.24 3h1h h LYS 77 Cb 0.58 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 3h1h h LYS 77 CO 0.11 0.39 -0.16 1.49 -2.27 0.00 0.00 179.45 179.01 3h1h h GLU 78 N 0.61 0.04 0.01 1.90 4.81 -0.18 -2.14 114.58 119.63 3h1h h GLU 78 Ca 0.42 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.53 3h1h h GLU 78 Cb 0.55 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 3h1h h GLU 78 CO -0.34 0.21 -0.64 0.28 -0.73 0.00 0.00 179.01 177.79 3h1h h VAL 79 N 0.04 1.36 -0.32 0.32 2.07 -0.90 -3.34 116.25 115.48 3h1h h VAL 79 Ca 0.01 -2.27 0.07 0.00 0.82 0.00 0.00 66.70 65.32 3h1h h VAL 79 Cb 0.31 2.83 -0.07 0.00 -1.52 0.00 0.00 31.29 32.84 3h1h h VAL 79 CO 0.02 0.48 -0.17 -0.33 0.02 0.00 0.00 177.57 177.59 3h1h h GLU 80 N -0.97 -0.11 0.00 1.57 5.08 -1.29 -1.64 114.58 117.22 3h1h h GLU 80 Ca -0.17 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3h1h h GLU 80 Cb 1.17 0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.45 3h1h h GLU 80 CO -0.09 -0.08 0.09 -1.13 -1.00 0.00 0.00 179.01 176.81 3h1h n SER 81 N -5.34 0.16 -0.63 1.42 3.41 -0.81 -0.38 113.62 111.45 3h1h n SER 81 Ca 0.01 0.51 0.06 0.00 -0.26 0.00 0.00 58.87 59.18 3h1h n SER 81 Cb 0.25 -0.51 0.15 0.00 -0.26 0.00 0.00 64.21 63.84 3h1h n SER 81 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 3h1h n MET 82 N -1.67 2.88 -1.35 4.33 0.00 -0.62 -4.97 117.12 115.71 3h1h n MET 82 Ca -0.00 -2.08 -0.12 0.00 0.00 0.00 0.00 57.70 55.49 3h1h n MET 82 Cb 0.10 -1.30 -0.05 0.00 0.00 0.00 0.00 33.22 31.97 3h1h n MET 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3h1h n GLY 83 N 0.39 1.26 3.83 3.17 0.00 0.48 -4.85 105.19 109.48 3h1h n GLY 83 Ca 0.12 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.53 3h1h n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h1h s ALA 84 N -2.31 3.40 -0.20 4.61 0.00 -1.18 -4.83 121.76 121.25 3h1h s ALA 84 Ca 0.00 0.08 -0.06 0.00 0.00 0.00 0.00 51.96 51.98 3h1h s ALA 84 Cb 0.00 -2.76 -0.03 0.00 0.00 0.00 0.00 23.12 20.33 3h1h s ALA 84 CO 0.00 0.35 0.03 -1.01 0.00 0.00 0.00 175.76 175.13 3h1h s HIS 85 N -1.68 3.11 -0.26 0.00 0.09 0.87 -4.59 115.29 112.84 3h1h s HIS 85 Ca 0.46 -0.27 -0.04 0.00 -0.00 0.00 0.00 55.06 55.21 3h1h s HIS 85 Cb -0.14 -2.11 0.01 0.00 -0.00 0.00 0.00 32.58 30.34 3h1h s HIS 85 CO 0.20 -0.13 -0.00 0.12 -0.00 0.00 0.00 174.74 174.93 3h1h s PHE 86 N 0.90 3.06 0.18 1.40 2.19 -1.26 -0.34 117.98 124.11 3h1h s PHE 86 Ca 0.02 -1.12 0.01 0.00 0.33 0.00 0.00 56.93 56.17 3h1h s PHE 86 Cb -0.14 -2.15 -0.05 0.00 -1.31 0.00 0.00 43.02 39.38 3h1h s PHE 86 CO 0.02 -0.61 0.02 1.21 1.83 0.00 0.00 175.22 177.70 3h1h s ASN 87 N 1.44 1.06 0.03 6.13 2.47 -0.65 -5.03 114.94 120.40 3h1h s ASN 87 Ca 0.03 -1.21 -0.28 0.00 0.42 0.00 0.00 52.86 51.82 3h1h s ASN 87 Cb -0.16 0.15 0.10 0.00 -1.45 0.00 0.00 41.25 39.90 3h1h s ASN 87 CO -0.01 -0.62 1.21 -0.83 -3.72 0.00 0.00 177.10 173.13 3h1h s GLY 88 N -3.17 -0.30 0.40 1.21 0.00 -1.26 -0.47 107.32 103.72 3h1h s GLY 88 Ca 0.26 0.41 -0.14 0.00 0.00 0.00 0.00 44.72 45.25 3h1h s GLY 88 CO 0.05 1.00 0.79 -2.52 0.00 0.00 0.00 173.10 172.42 3h1h s TYR 89 N -2.51 0.20 -0.21 1.90 -0.85 0.42 -4.99 117.35 111.31 3h1h s TYR 89 Ca 0.16 -0.89 -0.11 0.00 -0.52 0.00 0.00 57.07 55.72 3h1h s TYR 89 Cb 0.02 0.82 0.07 0.00 0.38 0.00 0.00 41.96 43.25 3h1h s TYR 89 CO -0.02 -1.60 0.50 -0.08 -1.52 0.00 0.00 175.55 172.83 3h1h s THR 90 N -2.13 -0.09 0.00 -3.49 -1.32 -1.26 -1.14 115.64 106.21 3h1h s THR 90 Ca 0.17 0.07 0.00 0.00 -1.21 0.00 0.00 61.69 60.72 3h1h s THR 90 Cb -0.05 -0.74 0.00 0.00 -1.51 0.00 0.00 72.50 70.20 3h1h s THR 90 CO 0.12 0.03 0.00 -1.54 -2.21 0.00 0.00 174.62 171.02 3h1h n SER 91 N 4.39 1.75 -0.04 8.08 3.41 0.11 -4.98 113.62 126.35 3h1h n SER 91 Ca -0.21 -0.07 -0.17 0.00 -0.26 0.00 0.00 58.87 58.16 3h1h n SER 91 Cb 0.56 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.44 3h1h n SER 91 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3h1h h ARG 92 N 0.00 0.81 -0.02 4.33 3.08 -1.93 -3.10 114.38 117.56 3h1h h ARG 92 Ca 0.00 -0.63 0.00 0.00 0.07 0.00 0.00 59.98 59.42 3h1h h ARG 92 Cb 0.00 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.17 3h1h h ARG 92 CO 0.00 1.24 0.00 0.39 -1.07 0.00 0.00 179.97 180.53 3h1h n GLU 93 N -3.96 2.91 -3.66 0.04 1.02 -1.26 -0.09 120.64 115.64 3h1h n GLU 93 Ca -0.07 -1.59 -0.08 0.00 -0.02 0.00 0.00 57.16 55.40 3h1h n GLU 93 Cb 0.72 -1.04 -0.08 0.00 -0.02 0.00 0.00 31.44 31.02 3h1h n GLU 93 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 3h1h s GLN 94 N -1.09 0.58 0.24 3.49 0.74 -0.46 -4.01 119.66 119.15 3h1h s GLN 94 Ca 0.03 1.07 0.11 0.00 0.05 0.00 0.00 55.36 56.62 3h1h s GLN 94 Cb 0.02 0.10 -0.05 0.00 1.10 0.00 0.00 33.01 34.19 3h1h s GLN 94 CO 0.01 -0.16 -0.21 0.99 -0.55 0.00 0.00 175.29 175.38 3h1h s THR 95 N 1.61 2.35 -0.21 -0.34 2.01 -0.23 0.07 115.64 120.90 3h1h s THR 95 Ca -0.10 -2.25 -0.27 0.00 0.31 0.00 0.00 61.69 59.38 3h1h s THR 95 Cb -0.07 -2.20 0.10 0.00 0.01 0.00 0.00 72.50 70.34 3h1h s THR 95 CO -0.17 -0.32 0.88 0.00 -0.69 0.00 0.00 174.62 174.32 3h1h s ALA 96 N -2.25 -1.88 -0.08 7.40 0.00 -0.29 0.22 121.76 124.89 3h1h s ALA 96 Ca 0.26 1.74 0.01 0.00 0.00 0.00 0.00 51.96 53.97 3h1h s ALA 96 Cb -0.06 -0.93 0.02 0.00 0.00 0.00 0.00 23.12 22.15 3h1h s ALA 96 CO 0.12 -0.30 -0.09 -0.06 0.00 0.00 0.00 175.76 175.43 3h1h s PHE 97 N -0.32 1.30 0.04 0.00 0.40 -0.83 -0.44 117.98 118.13 3h1h s PHE 97 Ca -0.01 -0.52 -0.02 0.00 -0.60 0.00 0.00 56.93 55.77 3h1h s PHE 97 Cb -0.03 -1.04 -0.03 0.00 0.51 0.00 0.00 43.02 42.44 3h1h s PHE 97 CO 0.00 -0.34 0.00 1.52 0.70 0.00 0.00 175.22 177.11 3h1h s TYR 98 N 1.09 0.36 0.06 0.36 -0.85 0.38 -1.30 117.35 117.45 3h1h s TYR 98 Ca -0.07 -0.77 0.07 0.00 -0.52 0.00 0.00 57.07 55.78 3h1h s TYR 98 Cb -0.14 -0.27 -0.03 0.00 0.38 0.00 0.00 41.96 41.90 3h1h s TYR 98 CO -0.01 -0.32 -0.20 0.42 -1.52 0.00 0.00 175.55 173.91 3h1h s ILE 99 N -2.88 1.65 -0.28 -3.49 1.01 0.13 -1.64 121.20 115.70 3h1h s ILE 99 Ca -0.03 -1.31 -0.00 0.00 0.00 0.00 0.00 60.65 59.31 3h1h s ILE 99 Cb 0.00 -1.46 0.05 0.00 0.01 0.00 0.00 42.46 41.06 3h1h s ILE 99 CO -0.06 0.10 -0.05 -0.54 0.00 0.00 0.00 174.94 174.39 3h1h s LYS 100 N -1.44 2.40 0.35 2.79 1.02 0.54 -1.22 119.74 124.19 3h1h s LYS 100 Ca 0.07 -1.27 -0.08 0.00 0.02 0.00 0.00 55.97 54.71 3h1h s LYS 100 Cb -0.09 -3.05 0.02 0.00 -0.52 0.00 0.00 37.83 34.19 3h1h s LYS 100 CO 0.03 -0.58 0.60 0.00 -0.92 0.00 0.00 175.35 174.47 3h1h s ALA 101 N 1.21 0.13 0.42 5.17 0.00 -0.82 -0.09 121.76 127.77 3h1h s ALA 101 Ca -0.06 -1.18 -0.25 0.00 0.00 0.00 0.00 51.96 50.47 3h1h s ALA 101 Cb -0.19 0.97 -0.08 0.00 0.00 0.00 0.00 23.12 23.81 3h1h s ALA 101 CO -0.03 -0.87 1.21 -0.51 0.00 0.00 0.00 175.76 175.57 3h1h s LEU 102 N -3.16 4.16 0.40 0.00 1.43 -1.26 0.51 118.68 120.75 3h1h s LEU 102 Ca 0.24 2.45 0.13 0.00 -1.03 0.00 0.00 54.13 55.92 3h1h s LEU 102 Cb -0.02 -4.03 0.97 0.00 0.03 0.00 0.00 46.19 43.13 3h1h s LEU 102 CO 0.16 -0.80 1.89 0.28 0.23 0.00 0.00 176.35 178.11 3h1h h SER 103 N 2.50 0.49 -1.19 2.29 0.02 -1.08 -0.46 113.55 116.12 3h1h h SER 103 Ca -0.49 0.03 0.34 0.00 -0.84 0.00 0.00 61.79 60.83 3h1h h SER 103 Cb 1.24 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 63.66 3h1h h SER 103 CO 0.62 0.24 0.85 0.50 -1.14 0.00 0.00 176.83 177.90 3h1h h LYS 104 N 0.52 0.04 -0.56 3.45 3.64 -1.89 0.26 116.57 122.03 3h1h h LYS 104 Ca 0.41 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 3h1h h LYS 104 Cb 0.84 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 3h1h h LYS 104 CO -0.16 0.03 0.00 -0.25 -2.27 0.00 0.00 179.45 176.80 3h1h n ASP 105 N -4.23 3.72 -0.34 4.20 8.00 -0.18 -4.65 116.55 123.06 3h1h n ASP 105 Ca 0.26 -2.11 0.20 0.00 0.71 0.00 0.00 54.79 53.84 3h1h n ASP 105 Cb 1.23 -0.41 0.38 0.00 -0.02 0.00 0.00 41.12 42.29 3h1h n ASP 105 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 3h1h n MET 106 N 1.07 -0.07 -0.04 -1.24 0.00 0.92 -0.97 117.12 116.80 3h1h n MET 106 Ca 0.20 1.46 -0.14 0.00 -0.00 0.00 0.00 57.70 59.22 3h1h n MET 106 Cb 0.61 -2.40 -0.08 0.00 0.00 0.00 0.00 33.22 31.34 3h1h n MET 106 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 175.97 174.97 3h1h h PRO 107 N 0.00 0.35 -0.13 2.12 0.13 -1.82 -1.94 132.00 130.70 3h1h h PRO 107 Ca 0.67 -0.24 0.01 0.00 -0.87 0.00 0.00 66.00 65.58 3h1h h PRO 107 Cb 1.53 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.69 3h1h h PRO 107 CO -0.89 0.85 0.09 -0.22 -0.23 0.00 0.00 178.00 177.60 3h1h h LYS 108 N -0.10 0.13 0.42 0.86 1.63 -1.56 -1.14 116.57 116.81 3h1h h LYS 108 Ca -0.00 -0.01 -0.02 0.00 -0.85 0.00 0.00 60.65 59.77 3h1h h LYS 108 Cb 0.85 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.46 3h1h h LYS 108 CO 0.05 0.09 -0.20 0.28 -3.45 0.00 0.00 179.45 176.22 3h1h h VAL 109 N 0.14 0.00 -0.98 2.00 2.07 -0.99 -2.28 116.25 116.21 3h1h h VAL 109 Ca 0.05 -0.13 0.40 0.00 0.82 0.00 0.00 66.70 67.84 3h1h h VAL 109 Cb 0.04 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 29.64 3h1h h VAL 109 CO -0.01 0.00 0.51 0.52 0.02 0.00 0.00 177.57 178.61 3h1h n VAL 110 N -3.88 -0.41 0.20 2.57 0.31 -0.74 0.12 118.33 116.51 3h1h n VAL 110 Ca -0.07 1.99 -0.15 0.00 -0.01 0.00 0.00 64.34 66.10 3h1h n VAL 110 Cb 0.22 -3.22 -0.08 0.00 -0.91 0.00 0.00 33.84 29.85 3h1h n VAL 110 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3h1h h GLU 111 N 0.00 -0.44 -0.22 5.55 4.81 -1.07 -2.14 114.58 121.07 3h1h h GLU 111 Ca 0.82 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 60.14 3h1h h GLU 111 Cb 2.15 0.10 -0.07 0.00 0.63 0.00 0.00 28.75 31.57 3h1h h GLU 111 CO -0.76 -0.26 -0.26 -0.07 -0.73 0.00 0.00 179.01 176.93 3h1h h LEU 112 N -0.50 -0.83 -0.10 1.64 3.38 0.15 -0.37 115.31 118.69 3h1h h LEU 112 Ca -0.05 0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.08 3h1h h LEU 112 Cb 0.38 0.38 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 3h1h h LEU 112 CO 0.08 -0.30 -0.17 -0.07 0.09 0.00 0.00 178.44 178.07 3h1h h LEU 113 N -0.28 -0.57 -1.44 1.67 3.38 -1.09 0.24 115.31 117.22 3h1h h LEU 113 Ca 0.13 0.07 0.33 0.00 0.09 0.00 0.00 57.88 58.50 3h1h h LEU 113 Cb 0.48 0.23 -0.10 0.00 0.09 0.00 0.00 40.66 41.36 3h1h h LEU 113 CO -0.38 -0.14 0.75 0.00 0.09 0.00 0.00 178.44 178.77 3h1h h ALA 114 N -0.97 2.50 -0.00 1.53 0.00 -1.10 0.72 119.26 121.93 3h1h h ALA 114 Ca 0.02 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 3h1h h ALA 114 Cb 0.20 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3h1h h ALA 114 CO -0.17 -0.97 -0.55 0.22 0.00 0.00 0.00 179.25 177.78 3h1h h ASP 115 N 0.25 0.01 0.01 0.00 3.58 0.76 -1.96 116.42 119.07 3h1h h ASP 115 Ca 0.67 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 58.11 3h1h h ASP 115 Cb 1.95 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 43.00 3h1h h ASP 115 CO -0.31 0.56 -0.01 0.58 -2.88 0.00 0.00 179.24 177.19 3h1h h VAL 116 N 0.01 1.49 -0.07 2.25 2.07 0.19 0.82 116.25 123.02 3h1h h VAL 116 Ca -0.01 -1.61 -0.13 0.00 0.82 0.00 0.00 66.70 65.77 3h1h h VAL 116 Cb 0.97 2.57 -0.01 0.00 -1.52 0.00 0.00 31.29 33.30 3h1h h VAL 116 CO 0.07 0.41 -0.52 -0.37 0.02 0.00 0.00 177.57 177.18 3h1h h VAL 117 N -0.72 1.36 0.02 2.57 -1.51 -1.47 -3.16 116.25 113.34 3h1h h VAL 117 Ca -0.00 -1.80 -0.33 0.00 -1.23 0.00 0.00 66.70 63.34 3h1h h VAL 117 Cb 0.69 1.90 -0.05 0.00 -2.13 0.00 0.00 31.29 31.69 3h1h h VAL 117 CO 0.00 0.53 -1.98 0.00 -1.23 0.00 0.00 177.57 174.89 3h1h n GLN 118 N -3.93 0.67 -2.34 5.19 6.02 -0.74 -4.68 117.38 117.58 3h1h n GLN 118 Ca -0.02 0.21 -0.17 0.00 -0.01 0.00 0.00 57.00 57.01 3h1h n GLN 118 Cb 0.56 -1.69 0.03 0.00 1.02 0.00 0.00 30.24 30.15 3h1h n GLN 118 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3h1h n ASN 119 N -3.07 3.77 -4.66 1.08 3.02 0.28 -5.06 115.26 110.62 3h1h n ASN 119 Ca -0.26 -3.21 -0.45 0.00 -0.03 0.00 0.00 54.58 50.64 3h1h n ASN 119 Cb 1.07 -0.40 -0.02 0.00 -0.61 0.00 0.00 39.78 39.81 3h1h n ASN 119 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h1h h ALA 121 N 3.83 -0.97 -3.40 0.00 0.00 -1.39 -3.43 119.26 113.90 3h1h h ALA 121 Ca -0.45 -0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.15 3h1h h ALA 121 Cb 1.28 0.45 0.07 0.00 0.00 0.00 0.00 17.79 19.59 3h1h h ALA 121 CO 0.73 -0.98 -0.35 1.28 0.00 0.00 0.00 179.25 179.93 3h1h n LEU 122 N -3.78 -2.64 -4.65 0.00 4.77 -1.26 -4.89 117.00 104.54 3h1h n LEU 122 Ca -0.06 -0.26 -0.43 0.00 -0.03 0.00 0.00 56.01 55.22 3h1h n LEU 122 Cb 0.22 -1.83 -0.03 0.00 -2.33 0.00 0.00 43.42 39.45 3h1h n LEU 122 CO 0.13 0.31 1.64 1.21 -1.33 0.00 0.00 177.39 179.36 3h1h n GLU 123 N -2.81 2.57 -0.39 3.23 4.07 -1.26 -4.82 120.64 121.23 3h1h n GLU 123 Ca -0.01 0.90 0.35 0.00 -0.06 0.00 0.00 57.16 58.35 3h1h n GLU 123 Cb 0.54 -2.99 0.63 0.00 -0.06 0.00 0.00 31.44 29.55 3h1h n GLU 123 CO 0.00 0.00 0.00 1.49 -0.06 0.00 0.00 177.13 178.56 3h1h h GLU 124 N 11.31 0.01 0.00 5.31 4.57 -2.01 0.54 114.58 134.30 3h1h h GLU 124 Ca -0.48 -0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 57.57 3h1h h GLU 124 Cb 1.25 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.82 3h1h h GLU 124 CO 0.95 0.01 -0.65 0.66 -1.18 0.00 0.00 179.01 178.79 3h1h h SER 125 N 0.01 0.00 -0.14 1.04 4.64 -2.02 -3.27 113.55 113.82 3h1h h SER 125 Ca 0.86 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 62.07 3h1h h SER 125 Cb 2.49 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.58 3h1h h SER 125 CO -0.64 0.65 -0.35 -0.61 -0.87 0.00 0.00 176.83 175.01 3h1h h GLN 126 N 0.00 0.48 -0.12 4.77 5.75 -0.29 -3.32 115.11 122.38 3h1h h GLN 126 Ca -0.01 -0.33 0.02 0.00 -0.15 0.00 0.00 58.65 58.18 3h1h h GLN 126 Cb 1.19 0.05 -0.04 0.00 1.07 0.00 0.00 27.48 29.75 3h1h h GLN 126 CO 0.08 0.94 -0.29 0.82 -2.65 0.00 0.00 178.83 177.73 3h1h h ILE 127 N 0.09 0.00 0.00 2.39 2.04 -1.52 0.25 117.51 120.75 3h1h h ILE 127 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 3h1h h ILE 127 Cb 0.96 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 3h1h h ILE 127 CO 0.08 0.00 0.48 -0.33 0.00 0.00 0.00 178.15 178.38 3h1h h GLU 128 N -0.28 0.00 0.00 2.37 4.39 -1.66 0.05 114.58 119.44 3h1h h GLU 128 Ca 0.02 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.47 3h1h h GLU 128 Cb 0.35 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.96 3h1h h GLU 128 CO -0.26 0.00 -1.39 1.17 -1.16 0.00 0.00 179.01 177.37 3h1h n LYS 129 N -2.28 0.56 0.33 2.33 4.81 -0.03 -3.80 118.16 120.07 3h1h n LYS 129 Ca -0.01 0.54 0.22 0.00 -0.87 0.00 0.00 58.31 58.19 3h1h n LYS 129 Cb 0.50 -1.71 1.14 0.00 0.02 0.00 0.00 35.03 34.98 3h1h n LYS 129 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3h1h h GLU 130 N -1.00 0.00 -0.23 1.64 4.39 -0.03 0.21 114.58 119.55 3h1h h GLU 130 Ca -0.38 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.27 3h1h h GLU 130 Cb 1.30 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.95 3h1h h GLU 130 CO -0.23 0.00 -0.08 -0.09 -1.16 0.00 0.00 179.01 177.45 3h1h h ARG 131 N 0.00 0.47 -0.30 2.33 2.43 -1.20 0.36 114.38 118.47 3h1h h ARG 131 Ca -0.00 -0.19 -0.09 0.00 -0.81 0.00 0.00 59.98 58.89 3h1h h ARG 131 Cb 0.08 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 3h1h h ARG 131 CO 0.00 0.72 -0.19 0.78 -1.51 0.00 0.00 179.97 179.77 3h1h h GLY 132 N 0.19 0.59 0.73 2.80 0.00 -1.09 -1.84 103.07 104.45 3h1h h GLY 132 Ca 0.06 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 3h1h h GLY 132 CO 0.03 0.41 -0.18 -2.08 0.00 0.00 0.00 176.54 174.72 3h1h h VAL 133 N 0.49 0.60 -0.40 4.60 2.07 -1.01 -2.31 116.25 120.29 3h1h h VAL 133 Ca 0.08 -0.46 0.06 0.00 0.82 0.00 0.00 66.70 67.20 3h1h h VAL 133 Cb 0.60 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 3h1h h VAL 133 CO 0.04 0.08 0.08 0.40 0.02 0.00 0.00 177.57 178.19 3h1h h ILE 134 N -0.78 0.80 -0.96 4.57 2.04 -0.27 0.23 117.51 123.13 3h1h h ILE 134 Ca -0.05 -0.07 0.26 0.00 1.00 0.00 0.00 64.86 65.99 3h1h h ILE 134 Cb 0.52 0.57 -0.06 0.00 -0.74 0.00 0.00 36.82 37.12 3h1h h ILE 134 CO 0.08 0.04 0.66 -0.07 0.00 0.00 0.00 178.15 178.87 3h1h h LEU 135 N 0.21 0.18 0.03 1.44 3.38 -1.26 0.21 115.31 119.50 3h1h h LEU 135 Ca 0.19 0.03 -0.19 0.00 0.09 0.00 0.00 57.88 58.00 3h1h h LEU 135 Cb 0.23 -0.01 0.02 0.00 0.09 0.00 0.00 40.66 40.99 3h1h h LEU 135 CO -0.25 0.05 -0.77 1.56 0.09 0.00 0.00 178.44 179.13 3h1h h GLN 136 N 0.17 0.47 -0.79 1.13 1.08 -0.07 -3.20 115.11 113.90 3h1h h GLN 136 Ca 0.48 -0.54 0.07 0.00 -1.45 0.00 0.00 58.65 57.22 3h1h h GLN 136 Cb 1.61 0.16 -0.05 0.00 -0.05 0.00 0.00 27.48 29.16 3h1h h GLN 136 CO -0.10 1.19 0.51 0.93 -0.95 0.00 0.00 178.83 180.41 3h1h h GLU 137 N -0.02 0.79 -0.41 1.46 5.08 0.13 -1.75 114.58 119.86 3h1h h GLU 137 Ca -0.10 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.20 3h1h h GLU 137 Cb 1.48 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 3h1h h GLU 137 CO 0.15 0.52 0.24 -0.07 -1.00 0.00 0.00 179.01 178.85 3h1h h LEU 138 N 0.81 0.50 -1.32 1.33 3.38 -1.12 -0.19 115.31 118.70 3h1h h LEU 138 Ca 0.35 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.23 3h1h h LEU 138 Cb 0.30 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3h1h h LEU 138 CO -0.13 0.42 0.27 0.11 0.09 0.00 0.00 178.44 179.20 3h1h h LYS 139 N 0.54 0.73 -0.28 1.13 1.57 -1.33 0.14 116.57 119.07 3h1h h LYS 139 Ca 0.15 -0.08 -0.19 0.00 -1.87 0.00 0.00 60.65 58.65 3h1h h LYS 139 Cb 0.02 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.19 3h1h h LYS 139 CO -0.03 0.56 -0.57 0.93 -0.57 0.00 0.00 179.45 179.77 3h1h h GLU 140 N 0.74 0.87 0.00 3.15 5.08 -0.99 -3.06 114.58 120.38 3h1h h GLU 140 Ca 0.19 -0.57 -0.05 0.00 -1.00 0.00 0.00 59.36 57.93 3h1h h GLU 140 Cb 0.06 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3h1h h GLU 140 CO -0.03 1.20 -0.25 0.52 -1.00 0.00 0.00 179.01 179.46 3h1h h MET 141 N 0.66 0.00 0.00 2.33 2.86 -0.53 -2.54 114.93 117.71 3h1h h MET 141 Ca 0.01 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3h1h h MET 141 Cb 1.18 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.84 3h1h h MET 141 CO 0.13 0.25 -0.02 0.22 1.06 0.00 0.00 176.91 178.55 3h1h h ASP 142 N 0.00 0.00 -0.54 1.22 3.58 -0.87 -1.27 116.42 118.54 3h1h h ASP 142 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 3h1h h ASP 142 Cb 0.75 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.80 3h1h h ASP 142 CO 0.03 0.02 0.00 0.59 -2.88 0.00 0.00 179.24 177.00 3h1h n ASN 143 N -3.15 3.83 -3.91 2.28 3.02 -0.96 -4.61 115.26 111.77 3h1h n ASN 143 Ca -0.01 -2.30 -0.37 0.00 -0.03 0.00 0.00 54.58 51.87 3h1h n ASN 143 Cb 0.20 -0.50 -0.04 0.00 -0.61 0.00 0.00 39.78 38.83 3h1h n ASN 143 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3h1h n ASP 144 N 0.95 4.96 -0.20 6.41 2.03 -0.48 -4.94 116.55 125.28 3h1h n ASP 144 Ca 0.21 -3.31 0.19 0.00 0.52 0.00 0.00 54.79 52.41 3h1h n ASP 144 Cb 0.71 -1.05 0.35 0.00 -0.72 0.00 0.00 41.12 40.41 3h1h n ASP 144 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 3h1h n MET 145 N 1.60 -0.03 -0.20 -0.67 2.81 -1.26 0.28 117.12 119.65 3h1h n MET 145 Ca 0.26 0.81 -0.04 0.00 -1.81 0.00 0.00 57.70 56.92 3h1h n MET 145 Cb 0.37 -1.47 0.15 0.00 -0.71 0.00 0.00 33.22 31.56 3h1h n MET 145 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3h1h h THR 146 N 0.00 1.24 0.00 2.03 2.02 -1.95 0.89 112.91 117.13 3h1h h THR 146 Ca 0.50 -0.78 -0.20 0.00 0.77 0.00 0.00 66.41 66.71 3h1h h THR 146 Cb 1.37 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 68.23 3h1h h THR 146 CO -0.44 0.31 -1.37 0.78 0.37 0.00 0.00 175.52 175.17 3h1h h ASN 147 N 0.95 0.00 -0.37 4.18 2.35 -0.52 -2.81 115.58 119.36 3h1h h ASN 147 Ca 0.22 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.92 3h1h h ASN 147 Cb 0.23 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 3h1h h ASN 147 CO -0.01 0.70 0.09 0.58 -1.65 0.00 0.00 177.43 177.13 3h1h h VAL 148 N 0.00 1.21 0.11 2.81 2.07 -1.13 -1.40 116.25 119.91 3h1h h VAL 148 Ca -0.17 -0.76 -0.01 0.00 0.82 0.00 0.00 66.70 66.58 3h1h h VAL 148 Cb 1.68 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 3h1h h VAL 148 CO 0.06 0.28 -0.05 0.74 0.02 0.00 0.00 177.57 178.62 3h1h h THR 149 N 0.66 1.09 -0.44 2.57 2.02 -0.85 -2.21 112.91 115.75 3h1h h THR 149 Ca 0.15 -0.90 0.01 0.00 0.77 0.00 0.00 66.41 66.44 3h1h h THR 149 Cb 0.29 1.65 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 3h1h h THR 149 CO 0.00 0.21 0.29 -0.26 0.37 0.00 0.00 175.52 176.14 3h1h h PHE 150 N -0.58 0.54 0.49 3.16 -1.00 -1.41 0.41 116.94 118.55 3h1h h PHE 150 Ca -0.01 0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.75 3h1h h PHE 150 Cb 0.46 -0.18 0.00 0.00 3.61 0.00 0.00 35.95 39.84 3h1h h PHE 150 CO 0.06 0.33 -0.24 -0.44 -1.61 0.00 0.00 178.31 176.42 3h1h h ASP 151 N 0.57 -0.56 -0.93 2.17 3.32 -1.21 -1.78 116.42 118.01 3h1h h ASP 151 Ca 0.17 -0.04 0.13 0.00 0.02 0.00 0.00 57.03 57.31 3h1h h ASP 151 Cb -0.03 0.14 -0.09 0.00 0.22 0.00 0.00 39.33 39.57 3h1h h ASP 151 CO -0.04 -0.30 0.55 1.88 -1.72 0.00 0.00 179.24 179.61 3h1h h TYR 152 N -0.79 0.98 -0.11 4.55 0.99 -0.69 0.25 116.97 122.14 3h1h h TYR 152 Ca -0.07 0.03 0.04 0.00 2.00 0.00 0.00 58.73 60.74 3h1h h TYR 152 Cb 0.56 -0.30 -0.06 0.00 1.00 0.00 0.00 36.73 37.94 3h1h h TYR 152 CO -0.01 0.32 -0.32 1.25 -0.00 0.00 0.00 178.16 179.40 3h1h h LEU 153 N 0.82 -0.99 -0.12 3.88 5.85 0.17 -1.54 115.31 123.38 3h1h h LEU 153 Ca 0.48 0.14 0.00 0.00 0.84 0.00 0.00 57.88 59.35 3h1h h LEU 153 Cb 0.58 0.42 -0.01 0.00 0.37 0.00 0.00 40.66 42.02 3h1h h LEU 153 CO -0.31 -0.36 0.07 0.45 -0.34 0.00 0.00 178.44 177.95 3h1h h HIS 154 N -0.41 0.13 -1.39 1.25 3.86 -0.39 0.30 115.15 118.50 3h1h h HIS 154 Ca 0.09 0.00 0.46 0.00 -1.16 0.00 0.00 60.37 59.76 3h1h h HIS 154 Cb 0.55 -0.04 -0.13 0.00 1.06 0.00 0.00 27.41 28.85 3h1h h HIS 154 CO -0.40 0.08 0.91 0.00 0.86 0.00 0.00 177.93 179.38 3h1h h ALA 155 N 1.05 2.87 0.00 2.45 0.00 0.38 0.52 119.26 126.54 3h1h h ALA 155 Ca 0.05 0.10 -0.23 0.00 0.00 0.00 0.00 54.91 54.83 3h1h h ALA 155 Cb -0.00 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3h1h h ALA 155 CO -0.02 -1.51 -1.87 -2.37 0.00 0.00 0.00 179.25 173.48 3h1h n THR 156 N -4.63 0.88 0.24 0.00 5.66 -0.68 -3.04 114.28 112.71 3h1h n THR 156 Ca 0.38 -0.42 0.07 0.00 -3.05 0.00 0.00 64.05 61.04 3h1h n THR 156 Cb 1.52 -0.89 0.59 0.00 -1.55 0.00 0.00 70.33 69.99 3h1h n THR 156 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3h1h h ALA 157 N 0.26 1.80 0.00 1.79 0.00 0.28 -2.45 119.26 120.93 3h1h h ALA 157 Ca -0.34 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 3h1h h ALA 157 Cb 1.63 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 3h1h h ALA 157 CO -0.02 0.12 -0.19 1.19 0.00 0.00 0.00 179.25 180.34 3h1h n PHE 158 N -4.36 0.00 -1.34 0.00 3.01 0.11 -1.62 117.46 113.26 3h1h n PHE 158 Ca -0.03 -0.95 -0.46 0.00 1.01 0.00 0.00 57.45 57.02 3h1h n PHE 158 Cb 0.17 -0.16 -0.02 0.00 -0.01 0.00 0.00 39.48 39.46 3h1h n PHE 158 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3h1h n GLN 159 N -1.14 0.00 -0.94 -1.08 10.64 -0.92 -1.58 117.38 122.36 3h1h n GLN 159 Ca 0.14 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.31 3h1h n GLN 159 Cb 0.67 -0.97 0.00 0.00 -0.86 0.00 0.00 30.24 29.08 3h1h n GLN 159 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 3h1h n GLY 160 N 1.99 0.54 3.64 2.61 0.00 -1.26 -4.88 105.19 107.84 3h1h n GLY 160 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3h1h n GLY 160 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h1h s THR 161 N -2.43 0.79 0.23 2.61 -4.23 -0.61 -5.03 115.64 106.96 3h1h s THR 161 Ca 0.00 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.43 3h1h s THR 161 Cb 0.00 -2.19 0.21 0.00 1.34 0.00 0.00 72.50 71.86 3h1h s THR 161 CO 0.00 0.00 1.91 0.00 -0.54 0.00 0.00 174.62 175.99 3h1h h ALA 162 N 1.53 1.12 0.00 3.99 0.00 -1.90 -2.37 119.26 121.63 3h1h h ALA 162 Ca -0.39 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3h1h h ALA 162 Cb 1.30 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3h1h h ALA 162 CO 0.64 0.53 0.00 1.28 0.00 0.00 0.00 179.25 181.69 3h1h n LEU 163 N -4.47 0.62 0.00 0.00 4.77 -1.26 -3.10 117.00 113.57 3h1h n LEU 163 Ca 0.10 0.65 0.08 0.00 -0.03 0.00 0.00 56.01 56.80 3h1h n LEU 163 Cb 0.01 -0.57 0.45 0.00 -2.33 0.00 0.00 43.42 40.99 3h1h n LEU 163 CO 0.37 -0.53 0.73 0.00 -1.33 0.00 0.00 177.39 176.62 3h1h n ALA 164 N -1.75 2.41 -2.74 -1.18 0.00 -0.89 -4.75 120.51 111.61 3h1h n ALA 164 Ca 0.02 -0.09 -0.34 0.00 0.00 0.00 0.00 53.44 53.03 3h1h n ALA 164 Cb 0.23 -1.25 -0.05 0.00 0.00 0.00 0.00 19.45 18.38 3h1h n ALA 164 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3h1h s ARG 165 N -2.00 3.60 0.50 0.00 0.52 -1.18 -4.18 118.95 116.21 3h1h s ARG 165 Ca 0.23 -0.06 -0.21 0.00 -0.52 0.00 0.00 55.73 55.17 3h1h s ARG 165 Cb 0.10 -3.05 -0.08 0.00 0.52 0.00 0.00 34.95 32.45 3h1h s ARG 165 CO 0.18 0.62 1.08 0.95 0.02 0.00 0.00 175.30 178.15 3h1h s THR 166 N -1.35 3.50 0.24 0.02 -4.23 -1.26 -4.90 115.64 107.67 3h1h s THR 166 Ca 0.29 0.97 -0.02 0.00 -1.18 0.00 0.00 61.69 61.76 3h1h s THR 166 Cb -0.13 -3.41 0.05 0.00 1.34 0.00 0.00 72.50 70.35 3h1h s THR 166 CO 0.18 -0.17 1.67 0.58 -0.54 0.00 0.00 174.62 176.34 3h1h h VAL 167 N 1.52 1.27 -0.12 2.29 2.07 -1.94 -3.03 116.25 118.29 3h1h h VAL 167 Ca -0.50 -1.30 -0.19 0.00 0.82 0.00 0.00 66.70 65.53 3h1h h VAL 167 Cb 1.24 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 32.27 3h1h h VAL 167 CO 0.59 0.43 -0.70 -0.33 0.02 0.00 0.00 177.57 177.57 3h1h h GLU 168 N 0.57 0.55 0.00 1.57 3.07 -1.93 -3.41 114.58 115.00 3h1h h GLU 168 Ca 0.08 -0.42 0.00 0.00 -0.50 0.00 0.00 59.36 58.52 3h1h h GLU 168 Cb 0.70 0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.69 3h1h h GLU 168 CO 0.05 1.05 0.00 0.41 -1.40 0.00 0.00 179.01 179.12 3h1h n GLY 169 N 0.53 1.14 3.74 -3.84 0.00 -1.15 -4.28 105.19 101.33 3h1h n GLY 169 Ca -0.05 -2.10 -0.30 0.00 0.00 0.00 0.00 46.02 43.57 3h1h n GLY 169 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3h1h s THR 170 N -1.55 2.85 -0.00 2.61 2.01 -1.26 -4.95 115.64 115.36 3h1h s THR 170 Ca 0.00 0.28 -0.21 0.00 0.31 0.00 0.00 61.69 62.07 3h1h s THR 170 Cb 0.00 -2.79 -0.21 0.00 0.01 0.00 0.00 72.50 69.51 3h1h s THR 170 CO 0.00 -0.36 1.14 0.74 -0.69 0.00 0.00 174.62 175.45 3h1h h THR 171 N -1.41 1.44 0.69 -0.82 2.02 -1.96 -2.89 112.91 109.98 3h1h h THR 171 Ca -0.48 -1.87 -0.03 0.00 0.77 0.00 0.00 66.41 64.80 3h1h h THR 171 Cb 1.27 2.47 -0.00 0.00 -1.74 0.00 0.00 68.15 70.14 3h1h h THR 171 CO 0.54 0.54 -0.42 -0.33 0.37 0.00 0.00 175.52 176.22 3h1h h GLU 172 N -0.17 -1.00 -0.90 6.66 4.39 -1.99 -1.56 114.58 120.01 3h1h h GLU 172 Ca -0.04 0.07 0.33 0.00 0.34 0.00 0.00 59.36 60.06 3h1h h GLU 172 Cb 1.09 0.23 -0.16 0.00 -0.10 0.00 0.00 28.75 29.80 3h1h h GLU 172 CO 0.08 -0.67 0.32 0.09 -1.16 0.00 0.00 179.01 177.68 3h1h n ASN 173 N -5.06 0.17 0.13 1.42 4.13 -1.24 0.18 115.26 114.98 3h1h n ASN 173 Ca -0.13 1.51 0.01 0.00 1.68 0.00 0.00 54.58 57.65 3h1h n ASN 173 Cb 0.43 -0.67 0.05 0.00 -1.54 0.00 0.00 39.78 38.05 3h1h n ASN 173 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 3h1h h ILE 174 N 0.00 1.09 0.00 2.41 2.04 -1.27 -0.72 117.51 121.06 3h1h h ILE 174 Ca 0.69 -2.39 -0.08 0.00 1.00 0.00 0.00 64.86 64.09 3h1h h ILE 174 Cb 1.71 2.43 -0.01 0.00 -0.74 0.00 0.00 36.82 40.22 3h1h h ILE 174 CO -0.75 0.59 -0.37 0.11 0.00 0.00 0.00 178.15 177.74 3h1h h LYS 175 N 0.00 0.00 0.00 2.37 1.57 0.29 -3.36 116.57 117.43 3h1h h LYS 175 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3h1h h LYS 175 Cb 1.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.70 3h1h h LYS 175 CO 0.08 0.37 -0.31 0.72 -0.57 0.00 0.00 179.45 179.73 3h1h n HIS 176 N -3.39 0.00 -1.37 -1.35 8.25 -0.52 -5.05 115.22 111.79 3h1h n HIS 176 Ca 0.01 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.09 3h1h n HIS 176 Cb 0.56 -0.01 0.03 0.00 1.12 0.00 0.00 29.99 31.69 3h1h n HIS 176 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3h1h n LEU 177 N -1.16 -0.48 -4.33 2.41 4.77 -0.28 -4.97 117.00 112.95 3h1h n LEU 177 Ca 0.00 0.68 -0.24 0.00 -0.03 0.00 0.00 56.01 56.43 3h1h n LEU 177 Cb 0.03 -1.09 -0.12 0.00 -2.33 0.00 0.00 43.42 39.92 3h1h n LEU 177 CO 0.04 -3.57 -0.51 -0.89 -1.33 0.00 0.00 177.39 171.13 3h1h s THR 178 N -1.82 1.88 0.39 -5.08 2.01 -1.26 -4.99 115.64 106.77 3h1h s THR 178 Ca 0.65 -1.77 0.25 0.00 0.31 0.00 0.00 61.69 61.13 3h1h s THR 178 Cb -0.44 -1.78 0.40 0.00 0.01 0.00 0.00 72.50 70.70 3h1h s THR 178 CO 0.58 -0.15 1.53 -1.14 -0.69 0.00 0.00 174.62 174.75 3h1h n ARG 179 N 0.66 -0.05 0.33 4.92 0.00 -1.26 0.23 116.66 121.48 3h1h n ARG 179 Ca -0.16 1.29 -0.13 0.00 -0.00 0.00 0.00 57.85 58.85 3h1h n ARG 179 Cb 0.55 -2.41 -0.06 0.00 0.00 0.00 0.00 32.46 30.54 3h1h n ARG 179 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3h1h h ALA 180 N 1.78 -1.00 -0.91 5.13 0.00 -1.98 -1.09 119.26 121.19 3h1h h ALA 180 Ca 0.84 -0.19 0.19 0.00 0.00 0.00 0.00 54.91 55.76 3h1h h ALA 180 Cb 2.43 0.33 -0.11 0.00 0.00 0.00 0.00 17.79 20.44 3h1h h ALA 180 CO -0.63 -0.94 0.47 -0.44 0.00 0.00 0.00 179.25 177.71 3h1h h ASP 181 N -1.03 0.51 0.07 0.00 5.19 -0.61 0.64 116.42 121.18 3h1h h ASP 181 Ca -0.09 0.12 -0.00 0.00 -0.62 0.00 0.00 57.03 56.44 3h1h h ASP 181 Cb 0.65 0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.21 3h1h h ASP 181 CO 0.14 0.13 -0.03 -0.07 -3.12 0.00 0.00 179.24 176.29 3h1h h LEU 182 N 0.56 -0.07 -0.05 1.55 3.38 -1.09 -0.31 115.31 119.26 3h1h h LEU 182 Ca 0.54 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 58.28 3h1h h LEU 182 Cb 0.92 0.02 -0.06 0.00 0.09 0.00 0.00 40.66 41.63 3h1h h LEU 182 CO -0.44 0.23 -0.33 0.00 0.09 0.00 0.00 178.44 177.99 3h1h h ALA 183 N 0.52 -0.45 -0.58 1.53 0.00 0.24 -1.78 119.26 118.74 3h1h h ALA 183 Ca -0.01 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.01 3h1h h ALA 183 Cb 0.34 0.60 -0.11 0.00 0.00 0.00 0.00 17.79 18.63 3h1h h ALA 183 CO 0.01 -0.83 -0.10 1.03 0.00 0.00 0.00 179.25 179.36 3h1h h SER 184 N -0.45 -0.46 -0.42 0.00 0.87 0.32 -0.56 113.55 112.85 3h1h h SER 184 Ca 0.07 0.16 0.08 0.00 -1.23 0.00 0.00 61.79 60.88 3h1h h SER 184 Cb 0.57 0.33 -0.07 0.00 -0.44 0.00 0.00 62.40 62.78 3h1h h SER 184 CO -0.31 -0.17 -0.02 0.22 -0.53 0.00 0.00 176.83 176.03 3h1h h TYR 185 N 0.03 -0.05 0.11 2.24 3.20 -0.23 0.22 116.97 122.48 3h1h h TYR 185 Ca 0.28 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 62.18 3h1h h TYR 185 Cb 0.44 0.09 0.00 0.00 1.54 0.00 0.00 36.73 38.80 3h1h h TYR 185 CO -0.44 -0.10 -0.05 0.82 -1.64 0.00 0.00 178.16 176.75 3h1h h ILE 186 N 0.09 0.93 0.00 1.81 2.04 -0.51 0.19 117.51 122.05 3h1h h ILE 186 Ca 0.21 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.93 3h1h h ILE 186 Cb 0.30 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 3h1h h ILE 186 CO -0.36 0.03 0.00 0.44 0.00 0.00 0.00 178.15 178.26 3h1h h ASP 187 N -0.21 0.00 0.15 1.72 3.32 -0.70 0.15 116.42 120.84 3h1h h ASP 187 Ca -0.02 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.68 3h1h h ASP 187 Cb 0.17 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 3h1h h ASP 187 CO 0.02 0.00 -2.11 0.41 -1.72 0.00 0.00 179.24 175.84 3h1h n THR 188 N -2.95 1.64 -0.11 0.35 -1.04 0.75 -4.77 114.28 108.15 3h1h n THR 188 Ca -0.00 -0.68 -0.18 0.00 -2.04 0.00 0.00 64.05 61.15 3h1h n THR 188 Cb 0.22 -1.40 -0.09 0.00 -1.82 0.00 0.00 70.33 67.23 3h1h n THR 188 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 3h1h n HIS 189 N -3.27 0.00 -2.17 -1.42 8.25 0.63 -4.82 115.22 112.41 3h1h n HIS 189 Ca -0.33 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 56.82 3h1h n HIS 189 Cb 1.05 -0.82 -0.05 0.00 1.12 0.00 0.00 29.99 31.28 3h1h n HIS 189 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3h1h s PHE 190 N -2.43 2.09 -0.02 4.41 2.99 0.03 -4.91 117.98 120.14 3h1h s PHE 190 Ca -0.30 0.09 0.03 0.00 0.00 0.00 0.00 56.93 56.75 3h1h s PHE 190 Cb 0.09 -4.16 -0.00 0.00 0.00 0.00 0.00 43.02 38.95 3h1h s PHE 190 CO 0.47 -1.42 -0.10 0.15 -0.00 0.00 0.00 175.22 174.32 3h1h s LYS 191 N 6.12 0.90 0.10 0.44 1.02 -1.26 -4.88 119.74 122.18 3h1h s LYS 191 Ca 0.65 -0.33 -0.09 0.00 0.02 0.00 0.00 55.97 56.22 3h1h s LYS 191 Cb -0.01 -0.85 0.09 0.00 -0.52 0.00 0.00 37.83 36.54 3h1h s LYS 191 CO 0.09 0.16 0.70 0.00 -0.92 0.00 0.00 175.35 175.38 3h1h n ALA 192 N 3.07 -0.09 0.32 5.17 0.00 -1.26 0.46 120.51 128.18 3h1h n ALA 192 Ca -0.16 0.44 0.20 0.00 0.00 0.00 0.00 53.44 53.92 3h1h n ALA 192 Cb 0.55 -0.18 1.04 0.00 0.00 0.00 0.00 19.45 20.87 3h1h n ALA 192 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3h1h h PRO 193 N 0.00 0.00 -0.43 0.00 0.13 -1.70 -1.17 132.00 128.83 3h1h h PRO 193 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3h1h h PRO 193 Cb 0.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.39 3h1h h PRO 193 CO -0.45 0.01 0.00 0.54 -0.23 0.00 0.00 178.00 177.88 3h1h n ARG 194 N -3.25 2.45 -4.40 0.86 1.74 0.17 -4.88 116.66 109.35 3h1h n ARG 194 Ca -0.02 -2.22 -0.24 0.00 -0.77 0.00 0.00 57.85 54.60 3h1h n ARG 194 Cb 0.13 -1.45 -0.09 0.00 -1.02 0.00 0.00 32.46 30.03 3h1h n ARG 194 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3h1h s MET 195 N -1.21 1.93 -0.07 5.56 -1.94 -0.45 -1.86 119.30 121.27 3h1h s MET 195 Ca 0.35 -1.62 -0.03 0.00 -1.71 0.00 0.00 55.69 52.68 3h1h s MET 195 Cb 0.20 -1.93 0.04 0.00 2.01 0.00 0.00 34.83 35.15 3h1h s MET 195 CO 0.27 0.35 0.13 0.08 -0.01 0.00 0.00 175.02 175.83 3h1h s VAL 196 N -2.42 -0.14 -0.45 -6.03 1.01 -0.98 -3.23 120.40 108.16 3h1h s VAL 196 Ca 0.30 0.29 -0.18 0.00 0.00 0.00 0.00 61.98 62.38 3h1h s VAL 196 Cb -0.06 -0.24 0.03 0.00 0.00 0.00 0.00 36.38 36.12 3h1h s VAL 196 CO 0.17 0.12 0.53 -0.22 0.00 0.00 0.00 175.10 175.69 3h1h s LEU 197 N 1.74 4.83 0.16 3.92 2.96 -0.10 -0.99 118.68 131.19 3h1h s LEU 197 Ca -0.03 -0.67 0.10 0.00 -0.22 0.00 0.00 54.13 53.31 3h1h s LEU 197 Cb -0.12 -2.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.05 3h1h s LEU 197 CO -0.05 -0.70 -0.18 0.00 -1.32 0.00 0.00 176.35 174.10 3h1h s ALA 198 N 2.39 2.69 0.10 5.97 0.00 0.29 -0.37 121.76 132.84 3h1h s ALA 198 Ca 0.15 -1.49 -0.25 0.00 0.00 0.00 0.00 51.96 50.37 3h1h s ALA 198 Cb -0.17 -0.56 0.07 0.00 0.00 0.00 0.00 23.12 22.46 3h1h s ALA 198 CO 0.14 0.50 0.62 0.00 0.00 0.00 0.00 175.76 177.02 3h1h s ALA 199 N -1.47 -1.64 -0.11 0.00 0.00 -0.32 -0.70 121.76 117.52 3h1h s ALA 199 Ca 0.21 0.72 -0.19 0.00 0.00 0.00 0.00 51.96 52.69 3h1h s ALA 199 Cb -0.09 0.64 0.05 0.00 0.00 0.00 0.00 23.12 23.71 3h1h s ALA 199 CO 0.11 -0.66 0.49 0.00 0.00 0.00 0.00 175.76 175.70 3h1h s ALA 200 N -3.04 -1.22 0.00 0.00 0.00 -0.33 -1.35 121.76 115.82 3h1h s ALA 200 Ca -0.02 1.10 0.00 0.00 0.00 0.00 0.00 51.96 53.04 3h1h s ALA 200 Cb -0.01 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.70 3h1h s ALA 200 CO -0.07 -0.27 0.00 0.41 0.00 0.00 0.00 175.76 175.83 3h1h n GLY 201 N 2.01 0.49 2.64 0.00 0.00 -0.87 -1.26 105.19 108.21 3h1h n GLY 201 Ca -0.17 -1.26 -0.38 0.00 0.00 0.00 0.00 46.02 44.22 3h1h n GLY 201 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h1h n GLY 202 N 0.00 5.43 3.47 -0.02 0.00 0.11 0.15 105.19 114.33 3h1h n GLY 202 Ca 0.00 -2.30 -0.31 0.00 0.00 0.00 0.00 46.02 43.41 3h1h n GLY 202 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3h1h s ILE 203 N -3.36 2.89 -0.26 -0.61 1.01 -1.26 -4.80 121.20 114.81 3h1h s ILE 203 Ca 0.50 -1.05 -0.20 0.00 0.00 0.00 0.00 60.65 59.90 3h1h s ILE 203 Cb 0.29 -2.19 -0.02 0.00 0.01 0.00 0.00 42.46 40.54 3h1h s ILE 203 CO -0.21 0.41 0.63 -0.55 0.00 0.00 0.00 174.94 175.22 3h1h s SER 204 N -1.25 6.58 0.24 3.58 0.15 -1.26 -4.52 113.70 117.22 3h1h s SER 204 Ca 0.14 0.70 -0.09 0.00 0.70 0.00 0.00 55.95 57.40 3h1h s SER 204 Cb -0.11 -2.34 0.39 0.00 -1.71 0.00 0.00 66.02 62.26 3h1h s SER 204 CO 0.04 -0.38 1.62 -0.74 1.20 0.00 0.00 173.24 174.98 3h1h h HIS 205 N 7.91 -0.21 0.17 3.44 2.76 -1.99 0.03 115.15 127.26 3h1h h HIS 205 Ca -0.27 0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 57.96 3h1h h HIS 205 Cb 1.12 0.21 0.00 0.00 1.55 0.00 0.00 27.41 30.30 3h1h h HIS 205 CO 0.76 -0.29 -0.08 -0.22 -1.30 0.00 0.00 177.93 176.80 3h1h h LYS 206 N 0.05 -0.22 -0.79 5.26 3.64 -1.98 0.60 116.57 123.14 3h1h h LYS 206 Ca 0.40 0.01 0.17 0.00 -1.27 0.00 0.00 60.65 59.96 3h1h h LYS 206 Cb 0.67 0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.49 3h1h h LYS 206 CO -0.73 -0.13 0.53 0.93 -2.27 0.00 0.00 179.45 177.78 3h1h h GLU 207 N -0.24 0.35 0.31 1.90 5.08 -1.57 0.15 114.58 120.56 3h1h h GLU 207 Ca -0.02 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 3h1h h GLU 207 Cb 0.18 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.36 3h1h h GLU 207 CO 0.04 0.23 -0.15 1.25 -1.00 0.00 0.00 179.01 179.38 3h1h h LEU 208 N 0.36 -0.36 -1.82 1.33 5.85 0.03 -2.47 115.31 118.23 3h1h h LEU 208 Ca 0.39 -0.08 0.10 0.00 0.84 0.00 0.00 57.88 59.13 3h1h h LEU 208 Cb 1.01 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 3h1h h LEU 208 CO -0.12 0.11 0.33 1.62 -0.34 0.00 0.00 178.44 180.04 3h1h h VAL 209 N -1.06 0.86 0.14 1.05 3.04 0.60 0.19 116.25 121.07 3h1h h VAL 209 Ca -0.04 -0.07 -0.01 0.00 -1.01 0.00 0.00 66.70 65.57 3h1h h VAL 209 Cb 0.42 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 30.34 3h1h h VAL 209 CO 0.07 0.04 -0.07 0.44 -1.01 0.00 0.00 177.57 177.04 3h1h h ASP 210 N 0.20 -0.16 0.30 3.17 3.32 -0.77 -1.76 116.42 120.73 3h1h h ASP 210 Ca 0.22 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3h1h h ASP 210 Cb 0.61 0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.20 3h1h h ASP 210 CO -0.04 0.22 0.00 0.00 -1.72 0.00 0.00 179.24 177.70 3h1h h ALA 211 N 0.23 1.00 0.22 3.45 0.00 -0.83 -2.55 119.26 120.78 3h1h h ALA 211 Ca -0.02 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3h1h h ALA 211 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3h1h h ALA 211 CO 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 179.25 179.17 3h1h h ALA 212 N 2.01 -0.30 -0.74 0.00 0.00 -0.23 -3.10 119.26 116.91 3h1h h ALA 212 Ca 0.00 -0.18 0.20 0.00 0.00 0.00 0.00 54.91 54.94 3h1h h ALA 212 Cb 0.15 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 3h1h h ALA 212 CO 0.00 -0.33 0.52 0.00 0.00 0.00 0.00 179.25 179.44 3h1h h ARG 213 N -0.97 0.07 -0.30 0.00 3.08 -0.96 -0.16 114.38 115.14 3h1h h ARG 213 Ca -0.03 -0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.86 3h1h h ARG 213 Cb 0.45 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 3h1h h ARG 213 CO 0.05 0.05 -0.42 0.37 -1.07 0.00 0.00 179.97 178.94 3h1h h GLN 214 N 0.07 0.81 0.00 0.04 4.15 -1.50 -3.38 115.11 115.30 3h1h h GLN 214 Ca 0.36 -0.48 0.00 0.00 0.77 0.00 0.00 58.65 59.30 3h1h h GLN 214 Cb 1.31 0.04 0.00 0.00 0.21 0.00 0.00 27.48 29.04 3h1h h GLN 214 CO -0.03 1.11 -1.63 0.72 -1.93 0.00 0.00 178.83 177.07 3h1h n HIS 215 N -4.12 0.00 -3.42 3.99 8.25 -0.79 -4.71 115.22 114.41 3h1h n HIS 215 Ca -0.04 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.99 3h1h n HIS 215 Cb 0.56 -0.32 -0.02 0.00 1.12 0.00 0.00 29.99 31.32 3h1h n HIS 215 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 3h1h s PHE 216 N -3.01 4.12 0.00 4.41 2.99 -0.14 -4.89 117.98 121.46 3h1h s PHE 216 Ca -0.05 -2.73 0.00 0.00 0.00 0.00 0.00 56.93 54.16 3h1h s PHE 216 Cb 0.10 -3.67 0.00 0.00 0.00 0.00 0.00 43.02 39.45 3h1h s PHE 216 CO 0.63 -0.90 0.00 -1.13 -0.00 0.00 0.00 175.22 173.83 3h1h n SER 217 N 2.72 0.00 -0.68 1.36 3.41 -1.26 -4.72 113.62 114.45 3h1h n SER 217 Ca 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.83 3h1h n SER 217 Cb 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 3h1h n SER 217 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h1h n GLY 218 N 2.90 0.00 3.78 5.00 0.00 -1.26 -4.78 105.19 110.83 3h1h n GLY 218 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3h1h n GLY 218 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h1h s VAL 219 N 0.00 4.62 0.31 1.61 1.01 -1.26 -4.92 120.40 121.77 3h1h s VAL 219 Ca 0.00 1.46 -0.25 0.00 0.00 0.00 0.00 61.98 63.19 3h1h s VAL 219 Cb 0.00 -4.02 -0.10 0.00 0.00 0.00 0.00 36.38 32.26 3h1h s VAL 219 CO 0.00 0.50 0.91 -0.94 0.00 0.00 0.00 175.10 175.57 3h1h s SER 220 N -0.87 7.27 -0.19 3.32 1.04 -1.26 -5.04 113.70 117.98 3h1h s SER 220 Ca 0.33 1.76 -0.15 0.00 0.48 0.00 0.00 55.95 58.37 3h1h s SER 220 Cb -0.21 -2.55 -0.07 0.00 0.10 0.00 0.00 66.02 63.29 3h1h s SER 220 CO 0.22 -0.07 -0.27 0.49 0.98 0.00 0.00 173.24 174.59 3h1h n PHE 221 N 0.52 0.30 -1.77 5.02 3.01 -1.26 -5.02 117.46 118.26 3h1h n PHE 221 Ca 0.02 0.13 -0.30 0.00 1.01 0.00 0.00 57.45 58.31 3h1h n PHE 221 Cb 0.50 -0.68 0.08 0.00 -0.01 0.00 0.00 39.48 39.37 3h1h n PHE 221 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3h1h s THR 222 N -2.65 2.78 0.21 4.37 -4.23 -1.26 -4.98 115.64 109.88 3h1h s THR 222 Ca -0.27 0.25 0.13 0.00 -1.18 0.00 0.00 61.69 60.63 3h1h s THR 222 Cb 0.05 -3.16 0.02 0.00 1.34 0.00 0.00 72.50 70.75 3h1h s THR 222 CO 0.40 -0.33 1.63 0.10 -0.54 0.00 0.00 174.62 175.87 3h1h h TYR 223 N -0.98 0.00 -0.54 3.99 -0.00 -2.00 -3.14 116.97 114.30 3h1h h TYR 223 Ca -0.46 0.00 0.02 0.00 0.00 0.00 0.00 58.73 58.29 3h1h h TYR 223 Cb 1.29 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.98 3h1h h TYR 223 CO 0.41 0.55 0.33 0.87 -0.00 0.00 0.00 178.16 180.32 3h1h h LYS 224 N 0.00 0.63 -0.05 0.10 1.57 -1.94 -2.83 116.57 114.05 3h1h h LYS 224 Ca -0.01 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 3h1h h LYS 224 Cb 1.08 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 33.25 3h1h h LYS 224 CO 0.07 0.42 0.11 0.93 -0.57 0.00 0.00 179.45 180.41 3h1h h GLU 225 N 0.65 0.00 -0.00 3.15 5.08 -1.94 -3.14 114.58 118.38 3h1h h GLU 225 Ca 0.21 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.57 3h1h h GLU 225 Cb 0.01 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 3h1h h GLU 225 CO -0.09 0.00 -0.11 -0.40 -1.00 0.00 0.00 179.01 177.41 3h1h n ASP 226 N -3.43 2.22 -4.39 1.42 5.75 -1.07 -4.84 116.55 112.21 3h1h n ASP 226 Ca -0.02 -3.27 -0.33 0.00 -0.01 0.00 0.00 54.79 51.17 3h1h n ASP 226 Cb 0.19 -0.45 -0.14 0.00 -1.03 0.00 0.00 41.12 39.68 3h1h n ASP 226 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3h1h s ALA 227 N -2.96 2.61 -0.29 2.12 0.00 -1.19 -4.97 121.76 117.08 3h1h s ALA 227 Ca 0.33 -0.91 -0.28 0.00 0.00 0.00 0.00 51.96 51.10 3h1h s ALA 227 Cb 0.30 -1.14 0.01 0.00 0.00 0.00 0.00 23.12 22.29 3h1h s ALA 227 CO 0.01 0.32 1.01 0.54 0.00 0.00 0.00 175.76 177.64 3h1h s VAL 228 N 0.10 4.61 0.11 0.00 0.11 -1.26 -4.99 120.40 119.07 3h1h s VAL 228 Ca -0.06 1.73 -0.31 0.00 -2.93 0.00 0.00 61.98 60.40 3h1h s VAL 228 Cb -0.15 -4.34 -0.09 0.00 -1.53 0.00 0.00 36.38 30.28 3h1h s VAL 228 CO 0.05 -0.35 1.54 -2.16 -3.33 0.00 0.00 175.10 170.84 3h1h s PRO 229 N 3.40 4.24 0.01 1.54 0.04 -1.26 -5.00 135.00 137.97 3h1h s PRO 229 Ca 0.43 2.25 -0.26 0.00 0.04 0.00 0.00 61.00 63.46 3h1h s PRO 229 Cb -0.13 -3.36 -0.05 0.00 0.04 0.00 0.00 34.50 31.01 3h1h s PRO 229 CO 0.12 -0.61 0.80 0.42 0.04 0.00 0.00 177.00 177.78 3h1h s ILE 230 N 1.73 4.82 0.31 0.56 1.01 -1.26 -5.05 121.20 123.32 3h1h s ILE 230 Ca 0.69 1.69 -0.23 0.00 0.00 0.00 0.00 60.65 62.80 3h1h s ILE 230 Cb -0.40 -4.15 -0.10 0.00 0.01 0.00 0.00 42.46 37.83 3h1h s ILE 230 CO 0.31 0.30 0.88 -0.76 0.00 0.00 0.00 174.94 175.67 3h1h s LEU 231 N 0.35 4.28 0.38 2.97 1.43 -1.26 -5.02 118.68 121.82 3h1h s LEU 231 Ca 0.41 1.69 -0.27 0.00 -1.03 0.00 0.00 54.13 54.94 3h1h s LEU 231 Cb -0.20 -3.97 -0.09 0.00 0.03 0.00 0.00 46.19 41.95 3h1h s LEU 231 CO 0.23 -0.08 1.29 -2.16 0.23 0.00 0.00 176.35 175.85 3h1h s PRO 232 N -2.20 4.08 0.67 1.29 0.04 -1.26 -4.94 135.00 132.68 3h1h s PRO 232 Ca 0.50 2.13 -0.17 0.00 0.04 0.00 0.00 61.00 63.50 3h1h s PRO 232 Cb -0.17 -2.83 0.00 0.00 0.04 0.00 0.00 34.50 31.55 3h1h s PRO 232 CO 0.22 -0.39 1.23 0.50 0.04 0.00 0.00 177.00 178.59 3h1h s ARG 233 N -2.13 2.49 -0.22 4.56 3.52 -1.26 -4.96 118.95 120.95 3h1h s ARG 233 Ca 0.55 1.84 -0.07 0.00 -0.13 0.00 0.00 55.73 57.92 3h1h s ARG 233 Cb -0.38 -1.87 -0.03 0.00 -1.56 0.00 0.00 34.95 31.12 3h1h s ARG 233 CO 0.49 -1.59 0.06 0.00 -0.81 0.00 0.00 175.30 173.44 3h1h s ARG 235 N 1.17 4.33 0.49 0.00 3.52 -1.26 -5.02 118.95 122.18 3h1h s ARG 235 Ca 0.04 0.79 -0.18 0.00 -0.13 0.00 0.00 55.73 56.25 3h1h s ARG 235 Cb -0.14 -3.52 -0.09 0.00 -1.56 0.00 0.00 34.95 29.64 3h1h s ARG 235 CO 0.03 -0.11 0.98 0.12 -0.81 0.00 0.00 175.30 175.51 3h1h s PHE 236 N 1.43 3.37 -0.13 5.12 5.36 -1.26 -4.41 117.98 127.46 3h1h s PHE 236 Ca 0.34 1.52 -0.04 0.00 -0.96 0.00 0.00 56.93 57.78 3h1h s PHE 236 Cb -0.17 -2.83 0.07 0.00 -0.34 0.00 0.00 43.02 39.75 3h1h s PHE 236 CO 0.14 -0.33 0.24 0.99 -1.46 0.00 0.00 175.22 174.80 3h1h s THR 237 N -2.45 -0.39 -0.22 0.12 2.01 -0.64 -4.99 115.64 109.09 3h1h s THR 237 Ca 0.60 0.24 -0.28 0.00 0.31 0.00 0.00 61.69 62.56 3h1h s THR 237 Cb -0.10 -0.45 -0.04 0.00 0.01 0.00 0.00 72.50 71.91 3h1h s THR 237 CO 0.25 0.08 2.02 -0.83 -0.69 0.00 0.00 174.62 175.45 3h1h s GLY 238 N 2.39 0.76 0.22 4.40 0.00 -1.26 -4.54 107.32 109.29 3h1h s GLY 238 Ca 0.02 0.67 -0.21 0.00 0.00 0.00 0.00 44.72 45.20 3h1h s GLY 238 CO -0.09 3.55 0.96 -1.35 0.00 0.00 0.00 173.10 176.17 3h1h s SER 239 N 6.89 -0.05 0.05 1.64 1.04 -0.73 -4.92 113.70 117.61 3h1h s SER 239 Ca 0.91 -0.70 0.01 0.00 0.48 0.00 0.00 55.95 56.64 3h1h s SER 239 Cb -0.30 0.58 -0.03 0.00 0.10 0.00 0.00 66.02 66.36 3h1h s SER 239 CO 0.35 -1.13 -0.05 -1.83 0.98 0.00 0.00 173.24 171.56 3h1h s GLU 240 N -2.53 0.56 -0.03 4.02 -1.05 -1.26 -0.10 118.70 118.32 3h1h s GLU 240 Ca 0.18 -0.98 -0.00 0.00 -0.15 0.00 0.00 54.97 54.02 3h1h s GLU 240 Cb -0.03 -0.02 0.03 0.00 -0.44 0.00 0.00 34.13 33.67 3h1h s GLU 240 CO 0.06 -0.04 0.02 -1.50 0.95 0.00 0.00 175.26 174.75 3h1h s ILE 241 N -2.64 0.03 -0.22 1.83 2.07 -0.45 -4.96 121.20 116.85 3h1h s ILE 241 Ca -0.02 0.19 0.00 0.00 -1.41 0.00 0.00 60.65 59.42 3h1h s ILE 241 Cb -0.01 -0.16 0.06 0.00 0.13 0.00 0.00 42.46 42.47 3h1h s ILE 241 CO -0.04 0.12 -0.06 -0.13 -1.91 0.00 0.00 174.94 172.92 3h1h s ARG 242 N 1.19 1.62 -0.59 3.50 0.52 -1.26 -1.39 118.95 122.54 3h1h s ARG 242 Ca -0.08 -0.91 -0.12 0.00 -0.52 0.00 0.00 55.73 54.11 3h1h s ARG 242 Cb -0.13 -2.50 0.15 0.00 0.52 0.00 0.00 34.95 32.99 3h1h s ARG 242 CO -0.03 -0.56 0.51 0.00 0.02 0.00 0.00 175.30 175.24 3h1h s ALA 243 N 1.43 3.66 0.12 2.13 0.00 0.68 -4.98 121.76 124.81 3h1h s ALA 243 Ca -0.04 -2.79 -0.12 0.00 0.00 0.00 0.00 51.96 49.01 3h1h s ALA 243 Cb -0.18 -3.13 -0.06 0.00 0.00 0.00 0.00 23.12 19.74 3h1h s ALA 243 CO -0.07 -2.05 0.48 0.50 0.00 0.00 0.00 175.76 174.62 3h1h s ARG 244 N 1.03 3.86 -0.42 0.00 3.52 -1.26 -1.28 118.95 124.41 3h1h s ARG 244 Ca 0.09 0.33 0.04 0.00 -0.13 0.00 0.00 55.73 56.05 3h1h s ARG 244 Cb -0.23 -2.93 0.19 0.00 -1.56 0.00 0.00 34.95 30.41 3h1h s ARG 244 CO -0.02 0.50 0.77 0.34 -0.81 0.00 0.00 175.30 176.08 3h1h s ASP 245 N -1.80 -1.20 0.02 -2.12 -1.08 0.29 -4.82 116.67 105.96 3h1h s ASP 245 Ca 0.37 -0.87 0.01 0.00 -0.52 0.00 0.00 52.55 51.53 3h1h s ASP 245 Cb -0.14 1.55 0.07 0.00 -1.46 0.00 0.00 42.92 42.93 3h1h s ASP 245 CO 0.19 -0.10 0.95 0.47 0.52 0.00 0.00 175.17 177.20 3h1h n ASP 246 N 3.78 0.03 0.24 -0.34 8.00 -1.26 -0.97 116.55 126.03 3h1h n ASP 246 Ca 0.12 0.43 0.13 0.00 0.71 0.00 0.00 54.79 56.18 3h1h n ASP 246 Cb 0.59 -0.43 0.39 0.00 -0.02 0.00 0.00 41.12 41.64 3h1h n ASP 246 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h1h h ALA 247 N 1.65 0.98 -2.60 2.24 0.00 -1.95 -3.44 119.26 116.14 3h1h h ALA 247 Ca 0.00 -0.04 -0.48 0.00 0.00 0.00 0.00 54.91 54.39 3h1h h ALA 247 Cb 0.18 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3h1h h ALA 247 CO 0.00 0.05 0.39 -0.51 0.00 0.00 0.00 179.25 179.18 3h1h s LEU 248 N -6.26 4.40 0.33 0.00 1.43 -0.14 -4.96 118.68 113.48 3h1h s LEU 248 Ca 0.04 2.00 0.06 0.00 -1.03 0.00 0.00 54.13 55.20 3h1h s LEU 248 Cb 0.07 -3.89 0.58 0.00 0.03 0.00 0.00 46.19 42.98 3h1h s LEU 248 CO 0.62 -0.13 1.82 1.55 0.23 0.00 0.00 176.35 180.44 3h1h h PRO 249 N 3.36 0.39 -4.90 1.29 0.13 -1.89 -3.40 132.00 126.98 3h1h h PRO 249 Ca -0.47 -0.11 -0.33 0.00 -0.87 0.00 0.00 66.00 64.22 3h1h h PRO 249 Cb 1.20 -0.04 -0.14 0.00 0.13 0.00 0.00 31.00 32.15 3h1h h PRO 249 CO 0.65 0.55 -0.64 0.14 -0.23 0.00 0.00 178.00 178.47 3h1h s VAL 250 N -4.65 0.72 0.08 1.56 -7.23 -1.26 -4.64 120.40 104.97 3h1h s VAL 250 Ca -0.06 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.17 3h1h s VAL 250 Cb 0.15 -2.35 -0.04 0.00 0.56 0.00 0.00 36.38 34.69 3h1h s VAL 250 CO 0.76 -0.27 -0.12 0.00 -0.31 0.00 0.00 175.10 175.16 3h1h s ALA 251 N -3.64 2.87 -0.10 1.32 0.00 0.67 -4.28 121.76 118.60 3h1h s ALA 251 Ca 0.30 -1.21 0.03 0.00 0.00 0.00 0.00 51.96 51.08 3h1h s ALA 251 Cb 0.07 -0.88 -0.01 0.00 0.00 0.00 0.00 23.12 22.30 3h1h s ALA 251 CO 0.08 0.62 -0.20 -1.01 0.00 0.00 0.00 175.76 175.25 3h1h s HIS 252 N -1.11 2.62 -0.03 0.00 3.76 0.06 -1.28 115.29 119.31 3h1h s HIS 252 Ca 0.19 -0.79 0.02 0.00 -0.15 0.00 0.00 55.06 54.33 3h1h s HIS 252 Cb -0.11 -1.72 0.00 0.00 1.11 0.00 0.00 32.58 31.87 3h1h s HIS 252 CO 0.11 -0.27 -0.08 0.08 -0.85 0.00 0.00 174.74 173.73 3h1h s VAL 253 N 0.15 0.71 -0.03 -0.90 1.01 -0.39 -1.25 120.40 119.68 3h1h s VAL 253 Ca -0.11 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 61.58 3h1h s VAL 253 Cb -0.16 -0.64 0.01 0.00 0.00 0.00 0.00 36.38 35.59 3h1h s VAL 253 CO 0.06 0.23 -0.07 0.00 0.00 0.00 0.00 175.10 175.32 3h1h s ALA 254 N 0.25 0.76 -0.02 5.51 0.00 -0.70 -0.76 121.76 126.80 3h1h s ALA 254 Ca -0.04 -0.20 0.03 0.00 0.00 0.00 0.00 51.96 51.75 3h1h s ALA 254 Cb -0.09 -0.35 -0.00 0.00 0.00 0.00 0.00 23.12 22.68 3h1h s ALA 254 CO 0.00 0.07 -0.09 -1.17 0.00 0.00 0.00 175.76 174.58 3h1h s LEU 255 N 0.49 1.89 0.05 0.00 2.96 0.20 -1.60 118.68 122.68 3h1h s LEU 255 Ca -0.07 -0.18 -0.24 0.00 -0.22 0.00 0.00 54.13 53.42 3h1h s LEU 255 Cb -0.11 -0.52 0.06 0.00 0.50 0.00 0.00 46.19 46.12 3h1h s LEU 255 CO 0.01 0.09 0.56 0.00 -1.32 0.00 0.00 176.35 175.68 3h1h s ALA 256 N 0.01 -1.44 0.38 5.97 0.00 0.06 -0.86 121.76 125.88 3h1h s ALA 256 Ca -0.00 0.70 0.08 0.00 0.00 0.00 0.00 51.96 52.74 3h1h s ALA 256 Cb -0.06 0.40 -0.05 0.00 0.00 0.00 0.00 23.12 23.41 3h1h s ALA 256 CO 0.00 -0.52 0.16 0.14 0.00 0.00 0.00 175.76 175.53 3h1h s VAL 257 N -2.43 2.58 0.26 0.00 -7.23 -0.46 -0.33 120.40 112.78 3h1h s VAL 257 Ca -0.05 -1.72 -0.29 0.00 -1.81 0.00 0.00 61.98 58.11 3h1h s VAL 257 Cb -0.01 -2.96 -0.09 0.00 0.56 0.00 0.00 36.38 33.88 3h1h s VAL 257 CO -0.01 -0.08 1.18 -0.70 -0.31 0.00 0.00 175.10 175.18 3h1h s GLU 258 N -3.87 4.53 0.52 4.82 2.12 -1.26 -1.79 118.70 123.76 3h1h s GLU 258 Ca 0.40 1.92 -0.03 0.00 0.36 0.00 0.00 54.97 57.62 3h1h s GLU 258 Cb 0.01 -3.18 0.00 0.00 0.26 0.00 0.00 34.13 31.22 3h1h s GLU 258 CO 0.22 0.02 0.78 0.20 -0.54 0.00 0.00 175.26 175.94 3h1h s GLY 259 N -0.44 1.59 0.14 -1.50 0.00 0.24 -4.70 107.32 102.64 3h1h s GLY 259 Ca 0.48 -0.89 0.03 0.00 0.00 0.00 0.00 44.72 44.34 3h1h s GLY 259 CO 0.42 -0.67 1.31 -0.56 0.00 0.00 0.00 173.10 173.60 3h1h h PRO 260 N 0.13 0.15 0.00 2.90 0.13 -1.88 -3.05 132.00 130.37 3h1h h PRO 260 Ca -0.46 -0.20 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 3h1h h PRO 260 Cb 1.25 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.45 3h1h h PRO 260 CO 0.59 1.01 0.00 0.41 -0.23 0.00 0.00 178.00 179.78 3h1h n GLY 261 N 1.13 2.40 0.06 1.56 0.00 -1.20 -4.40 105.19 104.74 3h1h n GLY 261 Ca -0.03 -1.57 -0.02 0.00 0.00 0.00 0.00 46.02 44.40 3h1h n GLY 261 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3h1h n TRP 262 N 1.61 -0.07 -0.32 1.61 5.03 -0.12 -1.10 117.44 124.08 3h1h n TRP 262 Ca 0.00 0.19 0.11 0.00 3.03 0.00 0.00 57.50 60.83 3h1h n TRP 262 Cb 0.00 -0.39 0.32 0.00 -1.03 0.00 0.00 31.31 30.21 3h1h n TRP 262 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 3h1h h ALA 263 N 0.01 1.70 -2.65 6.99 0.00 -1.84 -3.44 119.26 120.03 3h1h h ALA 263 Ca 0.02 0.03 -0.52 0.00 0.00 0.00 0.00 54.91 54.44 3h1h h ALA 263 Cb 0.06 -0.15 0.06 0.00 0.00 0.00 0.00 17.79 17.77 3h1h h ALA 263 CO -0.14 0.03 1.02 -3.47 0.00 0.00 0.00 179.25 176.69 3h1h n ASP 264 N -4.62 4.02 -0.08 0.00 -0.08 -0.25 -4.91 116.55 110.63 3h1h n ASP 264 Ca 0.19 1.06 -0.01 0.00 -1.51 0.00 0.00 54.79 54.52 3h1h n ASP 264 Cb 0.46 -1.58 0.25 0.00 2.34 0.00 0.00 41.12 42.59 3h1h n ASP 264 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3h1h h PRO 265 N 6.87 0.71 -1.08 -0.67 0.11 -1.88 -2.84 132.00 133.21 3h1h h PRO 265 Ca -0.43 -0.13 0.30 0.00 0.11 0.00 0.00 66.00 65.84 3h1h h PRO 265 Cb 1.20 -0.11 -0.10 0.00 0.11 0.00 0.00 31.00 32.10 3h1h h PRO 265 CO 0.96 0.64 0.69 -0.44 -0.21 0.00 0.00 178.00 179.64 3h1h h ASP 266 N 0.69 0.42 -1.50 -2.05 3.32 -1.96 0.22 116.42 115.56 3h1h h ASP 266 Ca 0.16 0.10 0.46 0.00 0.02 0.00 0.00 57.03 57.77 3h1h h ASP 266 Cb 0.25 0.04 -0.10 0.00 0.22 0.00 0.00 39.33 39.74 3h1h h ASP 266 CO -0.00 0.03 1.02 0.78 -1.72 0.00 0.00 179.24 179.35 3h1h h ASN 267 N 0.34 0.15 0.16 6.45 2.35 -1.85 0.83 115.58 124.01 3h1h h ASN 267 Ca 0.64 0.08 -0.01 0.00 -0.55 0.00 0.00 56.30 56.46 3h1h h ASN 267 Cb 1.68 0.07 0.00 0.00 0.05 0.00 0.00 38.32 40.12 3h1h h ASN 267 CO -0.33 -0.10 -0.08 0.58 -1.65 0.00 0.00 177.43 175.85 3h1h h VAL 268 N 0.05 0.95 -0.69 2.81 2.07 -0.80 -0.35 116.25 120.30 3h1h h VAL 268 Ca 0.82 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.83 3h1h h VAL 268 Cb 2.89 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 33.89 3h1h h VAL 268 CO -0.25 0.12 0.44 0.58 0.02 0.00 0.00 177.57 178.49 3h1h h VAL 269 N -0.46 1.19 -0.74 2.57 2.07 0.39 0.06 116.25 121.32 3h1h h VAL 269 Ca -0.02 -0.37 0.09 0.00 0.82 0.00 0.00 66.70 67.22 3h1h h VAL 269 Cb 0.36 0.19 -0.07 0.00 -1.52 0.00 0.00 31.29 30.25 3h1h h VAL 269 CO 0.04 0.19 0.39 -0.07 0.02 0.00 0.00 177.57 178.13 3h1h h LEU 270 N 0.94 0.52 -0.56 2.57 3.38 -0.52 0.21 115.31 121.85 3h1h h LEU 270 Ca 0.25 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.21 3h1h h LEU 270 Cb -0.08 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3h1h h LEU 270 CO -0.05 0.29 0.08 0.45 0.09 0.00 0.00 178.44 179.30 3h1h h HIS 271 N 0.65 1.00 -0.76 1.13 3.86 -0.22 -1.47 115.15 119.34 3h1h h HIS 271 Ca 0.36 -0.14 0.08 0.00 -1.16 0.00 0.00 60.37 59.51 3h1h h HIS 271 Cb 0.37 -0.27 -0.05 0.00 1.06 0.00 0.00 27.41 28.52 3h1h h HIS 271 CO -0.10 0.88 0.50 0.28 0.86 0.00 0.00 177.93 180.35 3h1h h VAL 272 N 0.83 0.98 0.68 2.45 2.07 0.71 -1.20 116.25 122.77 3h1h h VAL 272 Ca 0.17 -0.25 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 3h1h h VAL 272 Cb 0.43 0.19 0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3h1h h VAL 272 CO 0.01 0.13 -0.33 0.00 0.02 0.00 0.00 177.57 177.41 3h1h h ALA 273 N 1.61 -0.92 -0.34 1.67 0.00 0.04 -2.72 119.26 118.60 3h1h h ALA 273 Ca 0.34 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 55.14 3h1h h ALA 273 Cb 0.37 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3h1h h ALA 273 CO -0.12 -0.88 0.44 -0.91 0.00 0.00 0.00 179.25 177.78 3h1h h ASN 274 N -1.19 0.00 0.14 0.00 -0.26 -0.89 0.48 115.58 113.86 3h1h h ASN 274 Ca -0.09 0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.59 3h1h h ASN 274 Cb 0.72 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.97 3h1h h ASN 274 CO 0.15 0.00 -0.22 0.00 -1.06 0.00 0.00 177.43 176.30 3h1h h ALA 275 N 1.43 1.46 0.21 -0.83 0.00 -0.91 0.97 119.26 121.60 3h1h h ALA 275 Ca 0.16 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3h1h h ALA 275 Cb 1.05 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3h1h h ALA 275 CO -0.00 0.39 -0.10 0.82 0.00 0.00 0.00 179.25 180.35 3h1h h ILE 276 N 0.14 0.74 -0.61 0.00 2.04 0.04 -3.29 117.51 116.57 3h1h h ILE 276 Ca 0.02 -0.98 -0.09 0.00 1.00 0.00 0.00 64.86 64.82 3h1h h ILE 276 Cb 0.48 1.21 -0.02 0.00 -0.74 0.00 0.00 36.82 37.75 3h1h h ILE 276 CO 0.03 0.18 0.04 0.40 0.00 0.00 0.00 178.15 178.80 3h1h h ILE 277 N -0.86 1.26 0.00 -0.67 2.04 -1.41 -3.43 117.51 114.44 3h1h h ILE 277 Ca -0.03 -1.10 0.00 0.00 1.00 0.00 0.00 64.86 64.73 3h1h h ILE 277 Cb 0.51 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 37.37 3h1h h ILE 277 CO 0.05 0.40 0.00 0.61 0.00 0.00 0.00 178.15 179.21 3h1h n GLY 278 N -0.47 3.17 3.38 5.37 0.00 0.34 -4.70 105.19 112.28 3h1h n GLY 278 Ca 0.03 -0.26 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 3h1h n GLY 278 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3h1h s ARG 279 N 0.00 1.21 0.17 1.61 1.70 -1.26 -3.12 118.95 119.26 3h1h s ARG 279 Ca 0.00 -0.56 -0.01 0.00 -0.47 0.00 0.00 55.73 54.69 3h1h s ARG 279 Cb 0.00 0.55 -0.04 0.00 -0.57 0.00 0.00 34.95 34.89 3h1h s ARG 279 CO 0.00 -0.51 0.11 -0.47 -1.08 0.00 0.00 175.30 173.35 3h1h s TYR 280 N -3.77 1.01 -0.30 5.89 5.04 -0.88 -4.93 117.35 119.41 3h1h s TYR 280 Ca 0.02 -1.30 -0.20 0.00 -2.44 0.00 0.00 57.07 53.15 3h1h s TYR 280 Cb 0.00 -0.50 0.20 0.00 0.35 0.00 0.00 41.96 42.00 3h1h s TYR 280 CO -0.13 -0.60 1.32 0.34 -1.34 0.00 0.00 175.55 175.15 3h1h s ASP 281 N -3.11 -0.02 0.00 4.32 2.15 -1.26 -2.17 116.67 116.58 3h1h s ASP 281 Ca 0.32 0.02 0.00 0.00 0.43 0.00 0.00 52.55 53.32 3h1h s ASP 281 Cb 0.07 1.02 0.00 0.00 -0.30 0.00 0.00 42.92 43.71 3h1h s ASP 281 CO 0.07 -0.00 0.22 0.54 -0.17 0.00 0.00 175.17 175.83 3h1h n ARG 282 N 4.46 0.00 -0.25 4.34 1.74 -1.00 0.44 116.66 126.39 3h1h n ARG 282 Ca -0.07 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.09 3h1h n ARG 282 Cb 0.56 -0.91 0.21 0.00 -1.02 0.00 0.00 32.46 31.30 3h1h n ARG 282 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3h1h n THR 283 N -0.45 1.05 -2.71 0.55 -2.24 -1.26 -4.91 114.28 104.32 3h1h n THR 283 Ca 0.00 -1.03 -0.42 0.00 -2.27 0.00 0.00 64.05 60.33 3h1h n THR 283 Cb 0.22 0.47 -0.03 0.00 -2.10 0.00 0.00 70.33 68.90 3h1h n THR 283 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3h1h s PHE 284 N -1.07 3.58 -0.27 4.78 0.40 0.17 -4.90 117.98 120.67 3h1h s PHE 284 Ca 0.32 1.63 0.25 0.00 -0.60 0.00 0.00 56.93 58.53 3h1h s PHE 284 Cb 0.17 -3.15 0.58 0.00 0.51 0.00 0.00 43.02 41.14 3h1h s PHE 284 CO 0.21 -0.12 1.69 0.78 0.70 0.00 0.00 175.22 178.48 3h1h h GLY 285 N 7.43 0.00 0.19 4.36 0.00 -1.90 -3.22 103.07 109.93 3h1h h GLY 285 Ca -0.36 0.00 0.23 0.00 0.00 0.00 0.00 47.33 47.20 3h1h h GLY 285 CO 0.80 0.00 0.62 -1.33 0.00 0.00 0.00 176.54 176.64 3h1h h GLY 286 N 3.44 0.80 0.00 4.60 0.00 -1.99 -3.45 103.07 106.47 3h1h h GLY 286 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.17 3h1h h GLY 286 CO 0.01 -0.03 0.00 0.61 0.00 0.00 0.00 176.54 177.13 3h1h n GLY 287 N -1.54 1.79 0.00 4.60 0.00 -1.22 -1.63 105.19 107.18 3h1h n GLY 287 Ca 0.20 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.88 3h1h n GLY 287 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3h1h n LYS 288 N 12.57 0.00 0.00 1.61 2.85 -1.26 -0.83 118.16 133.10 3h1h n LYS 288 Ca 0.00 0.23 0.08 0.00 -1.05 0.00 0.00 58.31 57.57 3h1h n LYS 288 Cb 0.00 -1.61 -0.04 0.00 -0.65 0.00 0.00 35.03 32.72 3h1h n LYS 288 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 3h1h n HIS 289 N -1.18 0.00 -1.29 5.58 8.25 -0.65 -4.90 115.22 121.03 3h1h n HIS 289 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 3h1h n HIS 289 Cb 0.11 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.26 3h1h n HIS 289 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3h1h n LEU 290 N -0.65 -1.47 0.10 2.41 4.77 -0.01 -4.86 117.00 117.29 3h1h n LEU 290 Ca 0.06 0.61 -0.02 0.00 -0.03 0.00 0.00 56.01 56.63 3h1h n LEU 290 Cb 0.32 -1.03 -0.04 0.00 -2.33 0.00 0.00 43.42 40.35 3h1h n LEU 290 CO 0.27 -3.99 0.32 0.28 -1.33 0.00 0.00 177.39 172.94 3h1h h SER 291 N -0.14 0.00 -2.93 -1.43 0.02 -1.93 -3.44 113.55 103.70 3h1h h SER 291 Ca -0.44 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 59.94 3h1h h SER 291 Cb 1.39 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.90 3h1h h SER 291 CO 0.42 0.72 1.17 -0.55 -1.14 0.00 0.00 176.83 177.45 3h1h s SER 292 N -6.56 6.15 0.23 3.07 0.15 -1.26 -4.91 113.70 110.56 3h1h s SER 292 Ca 0.03 1.16 -0.11 0.00 0.70 0.00 0.00 55.95 57.73 3h1h s SER 292 Cb 0.09 -2.53 0.31 0.00 -1.71 0.00 0.00 66.02 62.17 3h1h s SER 292 CO 0.78 -1.53 1.62 0.03 1.20 0.00 0.00 173.24 175.35 3h1h h ARG 293 N 11.65 0.03 -0.46 5.44 3.08 -1.86 0.17 114.38 132.44 3h1h h ARG 293 Ca -0.31 -0.00 0.02 0.00 0.07 0.00 0.00 59.98 59.76 3h1h h ARG 293 Cb 1.14 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.15 3h1h h ARG 293 CO 1.05 0.02 0.27 1.25 -1.07 0.00 0.00 179.97 181.49 3h1h h LEU 294 N 0.03 0.44 -0.66 3.04 5.85 -1.91 -0.79 115.31 121.31 3h1h h LEU 294 Ca 0.35 0.01 0.05 0.00 0.84 0.00 0.00 57.88 59.12 3h1h h LEU 294 Cb 0.56 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.45 3h1h h LEU 294 CO -0.68 0.31 0.38 0.00 -0.34 0.00 0.00 178.44 178.11 3h1h h ALA 295 N 1.21 0.88 0.60 1.25 0.00 -1.03 0.18 119.26 122.35 3h1h h ALA 295 Ca 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 3h1h h ALA 295 Cb 0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3h1h h ALA 295 CO -0.09 0.09 -0.37 0.00 0.00 0.00 0.00 179.25 178.88 3h1h h ALA 296 N 1.33 -1.18 -0.78 0.00 0.00 -0.35 -0.14 119.26 118.13 3h1h h ALA 296 Ca 0.29 -0.19 0.18 0.00 0.00 0.00 0.00 54.91 55.19 3h1h h ALA 296 Cb 0.13 0.49 -0.12 0.00 0.00 0.00 0.00 17.79 18.29 3h1h h ALA 296 CO -0.16 -1.15 0.20 -0.07 0.00 0.00 0.00 179.25 178.08 3h1h h LEU 297 N -0.91 0.02 -1.02 0.00 3.38 -0.98 1.32 115.31 117.12 3h1h h LEU 297 Ca -0.08 0.16 0.18 0.00 0.09 0.00 0.00 57.88 58.23 3h1h h LEU 297 Cb 0.73 0.21 -0.10 0.00 0.09 0.00 0.00 40.66 41.59 3h1h h LEU 297 CO 0.08 -0.06 0.62 0.00 0.09 0.00 0.00 178.44 179.16 3h1h h ALA 298 N 1.66 1.67 0.00 1.53 0.00 -0.06 0.14 119.26 124.20 3h1h h ALA 298 Ca 0.46 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.44 3h1h h ALA 298 Cb 0.82 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3h1h h ALA 298 CO -0.55 -0.03 -0.00 0.28 0.00 0.00 0.00 179.25 178.95 3h1h h VAL 299 N 0.78 1.53 -0.76 0.00 2.07 0.31 0.12 116.25 120.30 3h1h h VAL 299 Ca 0.57 -2.14 0.15 0.00 0.82 0.00 0.00 66.70 66.10 3h1h h VAL 299 Cb 0.87 2.89 -0.10 0.00 -1.52 0.00 0.00 31.29 33.42 3h1h h VAL 299 CO -0.36 0.52 0.27 -0.08 0.02 0.00 0.00 177.57 177.93 3h1h h GLU 300 N -1.00 0.37 -0.34 1.57 4.81 0.10 -2.78 114.58 117.32 3h1h h GLU 300 Ca -0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3h1h h GLU 300 Cb 0.85 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.15 3h1h h GLU 300 CO 0.00 0.24 0.00 0.72 -0.73 0.00 0.00 179.01 179.24 3h1h n HIS 301 N -5.06 0.81 -4.01 0.92 8.25 0.46 -4.98 115.22 111.62 3h1h n HIS 301 Ca 0.15 -0.69 -0.30 0.00 -0.26 0.00 0.00 57.72 56.62 3h1h n HIS 301 Cb 0.45 -0.19 -0.00 0.00 1.12 0.00 0.00 29.99 31.36 3h1h n HIS 301 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3h1h n LYS 302 N 0.11 -4.08 0.24 -0.41 4.76 -0.58 -4.87 118.16 113.33 3h1h n LYS 302 Ca 0.18 0.47 0.12 0.00 -2.87 0.00 0.00 58.31 56.21 3h1h n LYS 302 Cb 0.70 -5.06 0.59 0.00 -1.84 0.00 0.00 35.03 29.41 3h1h n LYS 302 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 3h1h h LEU 303 N -1.80 0.00 -7.54 -0.35 3.38 -1.01 -3.48 115.31 104.51 3h1h h LEU 303 Ca -0.60 0.00 0.24 0.00 0.09 0.00 0.00 57.88 57.61 3h1h h LEU 303 Cb 1.38 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 42.04 3h1h h LEU 303 CO 0.68 0.17 0.64 0.00 0.09 0.00 0.00 178.44 180.03 3h1h h HIS 305 N 2.00 0.00 0.00 0.00 3.86 -1.46 -3.44 115.15 116.11 3h1h h HIS 305 Ca -0.27 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.94 3h1h h HIS 305 Cb 1.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.69 3h1h h HIS 305 CO 0.50 0.13 0.00 -1.13 0.86 0.00 0.00 177.93 178.29 3h1h n SER 306 N -2.77 0.00 -3.56 2.45 3.41 -1.23 -2.36 113.62 109.55 3h1h n SER 306 Ca -0.02 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.49 3h1h n SER 306 Cb 0.61 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.52 3h1h n SER 306 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3h1h s PHE 307 N -2.00 -0.39 -0.07 7.33 -0.12 -0.92 -2.16 117.98 119.66 3h1h s PHE 307 Ca 0.00 0.61 -0.10 0.00 -0.05 0.00 0.00 56.93 57.38 3h1h s PHE 307 Cb 0.00 0.46 0.02 0.00 -0.63 0.00 0.00 43.02 42.87 3h1h s PHE 307 CO 0.00 -0.39 0.26 1.14 -0.05 0.00 0.00 175.22 176.17 3h1h s GLN 308 N -1.43 0.41 0.18 1.99 -2.07 -0.24 -2.06 119.66 116.43 3h1h s GLN 308 Ca -0.01 0.14 0.03 0.00 -1.82 0.00 0.00 55.36 53.70 3h1h s GLN 308 Cb -0.00 0.19 -0.03 0.00 -1.09 0.00 0.00 33.01 32.07 3h1h s GLN 308 CO 0.01 -0.08 0.31 0.95 -1.32 0.00 0.00 175.29 175.15 3h1h s THR 309 N -0.39 5.31 0.06 3.63 -4.23 -1.18 -1.14 115.64 117.69 3h1h s THR 309 Ca -0.05 -0.77 -0.18 0.00 -1.18 0.00 0.00 61.69 59.51 3h1h s THR 309 Cb -0.03 -3.78 0.04 0.00 1.34 0.00 0.00 72.50 70.06 3h1h s THR 309 CO 0.01 -0.16 0.42 0.72 -0.54 0.00 0.00 174.62 175.07 3h1h s PHE 310 N -1.81 -0.26 -0.41 3.99 -0.71 -0.73 -4.98 117.98 113.07 3h1h s PHE 310 Ca 0.34 0.19 0.08 0.00 -1.04 0.00 0.00 56.93 56.50 3h1h s PHE 310 Cb -0.10 0.23 0.26 0.00 -1.21 0.00 0.00 43.02 42.20 3h1h s PHE 310 CO 0.29 -0.60 0.57 -1.71 -1.34 0.00 0.00 175.22 172.43 3h1h n ASN 311 N 0.38 0.63 -4.60 1.98 5.15 -1.26 -2.65 115.26 114.89 3h1h n ASN 311 Ca -0.18 -2.80 -0.43 0.00 -0.60 0.00 0.00 54.58 50.57 3h1h n ASN 311 Cb 0.60 -0.64 -0.03 0.00 -0.53 0.00 0.00 39.78 39.19 3h1h n ASN 311 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3h1h s THR 312 N -1.46 3.54 0.23 -0.44 2.01 -0.75 -4.89 115.64 113.89 3h1h s THR 312 Ca 0.36 0.55 0.03 0.00 0.31 0.00 0.00 61.69 62.95 3h1h s THR 312 Cb 0.19 -3.69 -0.03 0.00 0.01 0.00 0.00 72.50 68.97 3h1h s THR 312 CO -0.10 -0.42 0.37 -0.44 -0.69 0.00 0.00 174.62 173.34 3h1h s SER 313 N 5.64 6.33 0.24 3.53 0.01 -1.26 0.32 113.70 128.51 3h1h s SER 313 Ca 0.77 0.18 0.01 0.00 1.31 0.00 0.00 55.95 58.23 3h1h s SER 313 Cb -0.22 -1.91 -0.03 0.00 0.21 0.00 0.00 66.02 64.06 3h1h s SER 313 CO 0.33 -0.07 0.20 -0.31 0.41 0.00 0.00 173.24 173.80 3h1h s TYR 314 N -1.96 1.30 0.14 2.43 1.51 0.71 -4.88 117.35 116.59 3h1h s TYR 314 Ca 0.35 -1.43 -0.27 0.00 -1.01 0.00 0.00 57.07 54.71 3h1h s TYR 314 Cb -0.10 -0.56 -0.02 0.00 -0.11 0.00 0.00 41.96 41.17 3h1h s TYR 314 CO 0.30 -0.74 1.59 0.66 -1.11 0.00 0.00 175.55 176.25 3h1h h SER 315 N 2.45 -1.17 -0.05 2.29 4.64 -1.97 -0.29 113.55 119.44 3h1h h SER 315 Ca -0.32 0.17 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 3h1h h SER 315 Cb 1.24 0.49 0.00 0.00 -0.31 0.00 0.00 62.40 63.83 3h1h h SER 315 CO 0.47 -0.39 0.00 -0.90 -0.87 0.00 0.00 176.83 175.14 3h1h n ASP 316 N -5.42 1.75 -0.41 4.97 5.75 -1.26 -4.16 116.55 117.77 3h1h n ASP 316 Ca -0.03 -1.44 0.00 0.00 -0.01 0.00 0.00 54.79 53.31 3h1h n ASP 316 Cb 0.35 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 3h1h n ASP 316 CO 0.00 0.00 0.00 1.07 -0.11 0.00 0.00 177.20 178.16 3h1h n THR 317 N 0.27 0.00 -0.99 2.12 5.66 -1.23 -4.73 114.28 115.38 3h1h n THR 317 Ca 0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 3h1h n THR 317 Cb 0.20 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.98 3h1h n THR 317 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3h1h n GLY 318 N 0.00 -1.24 2.69 1.09 0.00 -1.15 -0.21 105.19 106.37 3h1h n GLY 318 Ca 0.00 -0.97 -0.24 0.00 0.00 0.00 0.00 46.02 44.81 3h1h n GLY 318 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h1h s LEU 319 N 0.00 0.51 -0.30 0.99 1.43 0.15 -0.60 118.68 120.86 3h1h s LEU 319 Ca 0.00 -0.32 -0.03 0.00 -1.03 0.00 0.00 54.13 52.75 3h1h s LEU 319 Cb 0.00 -0.33 0.04 0.00 0.03 0.00 0.00 46.19 45.93 3h1h s LEU 319 CO 0.00 -0.27 0.02 0.12 0.23 0.00 0.00 176.35 176.44 3h1h s PHE 320 N 2.05 3.24 0.00 0.29 5.36 -0.74 -1.80 117.98 126.38 3h1h s PHE 320 Ca 0.03 -1.71 0.00 0.00 -0.96 0.00 0.00 56.93 54.29 3h1h s PHE 320 Cb -0.14 -2.14 0.00 0.00 -0.34 0.00 0.00 43.02 40.40 3h1h s PHE 320 CO -0.06 -0.77 0.00 0.41 -1.46 0.00 0.00 175.22 173.34 3h1h n GLY 321 N 4.68 2.82 3.38 13.12 0.00 -1.08 -1.35 105.19 126.74 3h1h n GLY 321 Ca -0.13 -0.39 -0.10 0.00 0.00 0.00 0.00 46.02 45.40 3h1h n GLY 321 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3h1h s PHE 322 N -0.91 -0.12 0.01 1.61 -0.12 -0.04 -1.77 117.98 116.65 3h1h s PHE 322 Ca 0.00 -0.21 0.01 0.00 -0.05 0.00 0.00 56.93 56.68 3h1h s PHE 322 Cb 0.00 0.27 -0.01 0.00 -0.63 0.00 0.00 43.02 42.65 3h1h s PHE 322 CO 0.00 -0.77 -0.03 -1.58 -0.05 0.00 0.00 175.22 172.79 3h1h s HIS 323 N -3.84 0.26 -0.00 3.49 2.46 -0.29 -0.63 115.29 116.74 3h1h s HIS 323 Ca 0.06 -0.20 -0.17 0.00 0.47 0.00 0.00 55.06 55.23 3h1h s HIS 323 Cb 0.01 -0.17 0.03 0.00 -0.13 0.00 0.00 32.58 32.32 3h1h s HIS 323 CO -0.08 -0.05 0.36 -0.59 -2.47 0.00 0.00 174.74 171.91 3h1h s PHE 324 N -0.51 -0.23 -0.12 3.88 -0.12 0.06 -1.08 117.98 119.85 3h1h s PHE 324 Ca -0.04 0.32 0.00 0.00 -0.05 0.00 0.00 56.93 57.16 3h1h s PHE 324 Cb -0.04 0.15 -0.02 0.00 -0.63 0.00 0.00 43.02 42.48 3h1h s PHE 324 CO -0.00 -0.46 -0.14 0.08 -0.05 0.00 0.00 175.22 174.66 3h1h s VAL 325 N -1.64 3.02 0.28 -2.49 1.01 -0.92 -1.27 120.40 118.39 3h1h s VAL 325 Ca -0.11 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.13 3h1h s VAL 325 Cb -0.03 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 3h1h s VAL 325 CO 0.03 0.53 0.41 0.00 0.00 0.00 0.00 175.10 176.07 3h1h s ALA 326 N 0.23 0.46 0.33 5.51 0.00 -0.40 -1.06 121.76 126.84 3h1h s ALA 326 Ca -0.09 -1.31 -0.15 0.00 0.00 0.00 0.00 51.96 50.42 3h1h s ALA 326 Cb -0.15 1.17 -0.09 0.00 0.00 0.00 0.00 23.12 24.05 3h1h s ALA 326 CO 0.05 -0.78 0.74 -0.51 0.00 0.00 0.00 175.76 175.27 3h1h s ASP 327 N -3.14 6.75 0.42 0.00 1.01 -1.26 -0.24 116.67 120.21 3h1h s ASP 327 Ca 0.29 1.27 0.28 0.00 0.71 0.00 0.00 52.55 55.10 3h1h s ASP 327 Cb 0.01 -2.37 1.41 0.00 1.01 0.00 0.00 42.92 42.98 3h1h s ASP 327 CO 0.14 -0.23 1.60 1.55 0.21 0.00 0.00 175.17 178.44 3h1h h PRO 328 N 2.13 0.06 -0.38 8.23 0.13 -1.82 -0.36 132.00 139.98 3h1h h PRO 328 Ca -0.48 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3h1h h PRO 328 Cb 1.18 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3h1h h PRO 328 CO 0.65 0.04 0.00 1.28 -0.23 0.00 0.00 178.00 179.74 3h1h n LEU 329 N -4.87 2.83 -0.06 1.56 4.77 -1.26 -4.03 117.00 115.93 3h1h n LEU 329 Ca 0.38 -1.27 0.03 0.00 -0.03 0.00 0.00 56.01 55.12 3h1h n LEU 329 Cb 1.41 -0.25 0.05 0.00 -2.33 0.00 0.00 43.42 42.30 3h1h n LEU 329 CO 0.14 0.64 0.48 -1.54 -1.33 0.00 0.00 177.39 175.78 3h1h n SER 330 N 1.07 1.76 0.06 -1.43 3.41 -0.15 -4.76 113.62 113.57 3h1h n SER 330 Ca 0.18 -2.26 -0.13 0.00 -0.26 0.00 0.00 58.87 56.40 3h1h n SER 330 Cb 0.49 -0.16 -0.08 0.00 -0.26 0.00 0.00 64.21 64.20 3h1h n SER 330 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3h1h h ILE 331 N 0.83 1.02 0.26 -1.33 2.04 -1.68 -2.71 117.51 115.95 3h1h h ILE 331 Ca 0.00 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 3h1h h ILE 331 Cb 0.79 1.23 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 3h1h h ILE 331 CO 0.00 0.08 -0.21 -0.78 0.00 0.00 0.00 178.15 177.24 3h1h h ASP 332 N -0.24 -0.56 -0.67 1.72 3.58 -1.86 -0.31 116.42 118.09 3h1h h ASP 332 Ca -0.01 0.05 0.09 0.00 0.42 0.00 0.00 57.03 57.58 3h1h h ASP 332 Cb 0.20 0.18 -0.07 0.00 1.72 0.00 0.00 39.33 41.37 3h1h h ASP 332 CO 0.02 -0.32 0.31 0.44 -2.88 0.00 0.00 179.24 176.80 3h1h h ASP 333 N -0.49 0.38 0.50 2.28 3.32 -1.90 0.41 116.42 120.92 3h1h h ASP 333 Ca -0.01 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3h1h h ASP 333 Cb 0.43 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 3h1h h ASP 333 CO -0.02 0.22 -0.45 -0.03 -1.72 0.00 0.00 179.24 177.24 3h1h h MET 334 N 0.53 -0.91 -0.43 3.56 4.05 -1.15 -0.09 114.93 120.50 3h1h h MET 334 Ca 0.33 0.06 0.07 0.00 -0.28 0.00 0.00 59.70 59.89 3h1h h MET 334 Cb 0.36 0.21 -0.06 0.00 -0.80 0.00 0.00 31.60 31.31 3h1h h MET 334 CO -0.28 -0.61 0.05 1.98 0.23 0.00 0.00 176.91 178.29 3h1h h MET 335 N -0.95 0.17 -0.30 0.39 1.85 -0.44 -0.18 114.93 115.46 3h1h h MET 335 Ca -0.06 -0.01 0.07 0.00 -0.61 0.00 0.00 59.70 59.09 3h1h h MET 335 Cb 0.82 -0.04 -0.07 0.00 0.43 0.00 0.00 31.60 32.74 3h1h h MET 335 CO -0.04 0.11 -0.17 0.35 -0.40 0.00 0.00 176.91 176.77 3h1h h PHE 336 N 0.18 -0.42 -0.28 1.39 3.57 0.14 -1.00 116.94 120.51 3h1h h PHE 336 Ca 0.21 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 3h1h h PHE 336 Cb 0.28 0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 3h1h h PHE 336 CO -0.23 -0.24 0.14 0.00 -2.23 0.00 0.00 178.31 175.74 3h1h h ALA 338 N 1.00 -0.82 -0.90 0.00 0.00 -0.59 0.11 119.26 118.06 3h1h h ALA 338 Ca 0.10 -0.06 0.26 0.00 0.00 0.00 0.00 54.91 55.21 3h1h h ALA 338 Cb 0.10 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 3h1h h ALA 338 CO -0.01 -0.85 0.78 1.96 0.00 0.00 0.00 179.25 181.12 3h1h h GLN 339 N -0.37 0.00 -0.08 0.00 4.20 -1.21 0.50 115.11 118.16 3h1h h GLN 339 Ca -0.01 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 3h1h h GLN 339 Cb 0.34 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 3h1h h GLN 339 CO -0.09 0.00 0.04 0.78 -0.67 0.00 0.00 178.83 178.90 3h1h h GLY 340 N 0.00 0.12 1.01 3.46 0.00 -0.24 -2.04 103.07 105.38 3h1h h GLY 340 Ca 0.43 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.71 3h1h h GLY 340 CO -0.00 0.05 0.52 0.83 0.00 0.00 0.00 176.54 177.94 3h1h h GLU 341 N 0.05 1.12 -0.81 4.80 4.39 0.84 0.71 114.58 125.68 3h1h h GLU 341 Ca 0.03 -0.09 0.06 0.00 0.34 0.00 0.00 59.36 59.70 3h1h h GLU 341 Cb 0.07 -0.24 -0.06 0.00 -0.10 0.00 0.00 28.75 28.41 3h1h h GLU 341 CO -0.00 0.77 0.49 -1.49 -1.16 0.00 0.00 179.01 177.62 3h1h h TRP 342 N 1.14 0.91 -0.70 4.33 4.06 -1.26 0.72 115.95 125.14 3h1h h TRP 342 Ca 0.30 0.03 -0.05 0.00 2.06 0.00 0.00 58.89 61.22 3h1h h TRP 342 Cb -0.08 -0.29 -0.03 0.00 -1.00 0.00 0.00 29.16 27.76 3h1h h TRP 342 CO -0.01 0.46 0.23 0.52 -3.56 0.00 0.00 178.44 176.07 3h1h h MET 343 N 0.90 1.09 -0.51 0.49 2.86 -0.43 -2.48 114.93 116.84 3h1h h MET 343 Ca 0.35 -0.23 0.04 0.00 -2.06 0.00 0.00 59.70 57.80 3h1h h MET 343 Cb 0.17 -0.16 -0.04 0.00 0.06 0.00 0.00 31.60 31.63 3h1h h MET 343 CO -0.17 0.93 0.28 0.00 1.06 0.00 0.00 176.91 179.01 3h1h h ARG 344 N 1.03 0.53 -0.38 1.72 3.08 0.86 -1.37 114.38 119.85 3h1h h ARG 344 Ca 0.23 -0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.33 3h1h h ARG 344 Cb 0.29 -0.12 -0.09 0.00 0.08 0.00 0.00 29.97 30.14 3h1h h ARG 344 CO -0.01 0.35 -0.24 -0.07 -1.07 0.00 0.00 179.97 178.93 3h1h h LEU 345 N 0.54 -0.80 -1.03 3.04 3.38 -0.50 0.41 115.31 120.35 3h1h h LEU 345 Ca 0.22 0.16 -0.08 0.00 0.09 0.00 0.00 57.88 58.27 3h1h h LEU 345 Cb 0.08 0.41 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3h1h h LEU 345 CO -0.13 -0.26 -0.13 0.00 0.09 0.00 0.00 178.44 178.01 3h1h n THR 347 N -4.19 0.34 -2.73 0.00 -2.24 -0.56 -4.72 114.28 100.18 3h1h n THR 347 Ca 0.01 -0.35 -0.05 0.00 -2.27 0.00 0.00 64.05 61.39 3h1h n THR 347 Cb 0.33 -0.21 0.07 0.00 -2.10 0.00 0.00 70.33 68.43 3h1h n THR 347 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3h1h n SER 348 N -2.13 0.44 -4.78 3.42 3.41 0.14 -5.07 113.62 109.05 3h1h n SER 348 Ca -0.09 -2.36 -0.34 0.00 -0.26 0.00 0.00 58.87 55.81 3h1h n SER 348 Cb 0.56 -0.05 0.01 0.00 -0.26 0.00 0.00 64.21 64.47 3h1h n SER 348 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3h1h s THR 349 N -2.25 3.29 0.20 6.66 2.01 -1.17 -4.90 115.64 119.49 3h1h s THR 349 Ca 0.23 0.72 0.08 0.00 0.31 0.00 0.00 61.69 63.04 3h1h s THR 349 Cb 0.40 -3.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.62 3h1h s THR 349 CO -0.04 -0.25 0.00 -0.89 -0.69 0.00 0.00 174.62 172.76 3h1h s THR 350 N -2.02 3.66 0.20 -0.82 2.01 -1.26 -4.88 115.64 112.53 3h1h s THR 350 Ca 0.70 -1.56 -0.08 0.00 0.31 0.00 0.00 61.69 61.05 3h1h s THR 350 Cb -0.22 -2.88 0.13 0.00 0.01 0.00 0.00 72.50 69.55 3h1h s THR 350 CO 0.32 -0.19 1.75 -0.33 -0.69 0.00 0.00 174.62 175.47 3h1h h GLU 351 N 2.43 1.15 -0.52 4.92 4.39 -1.98 -2.34 114.58 122.65 3h1h h GLU 351 Ca -0.46 -0.24 0.08 0.00 0.34 0.00 0.00 59.36 59.07 3h1h h GLU 351 Cb 1.22 -0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 29.63 3h1h h GLU 351 CO 0.58 0.97 0.17 0.77 -1.16 0.00 0.00 179.01 180.34 3h1h h SER 352 N 1.11 0.14 0.54 1.42 0.02 -1.99 0.36 113.55 115.15 3h1h h SER 352 Ca 0.24 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.25 3h1h h SER 352 Cb 0.29 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 3h1h h SER 352 CO -0.01 0.10 -0.36 -0.33 -1.14 0.00 0.00 176.83 175.09 3h1h h GLU 353 N 0.33 -0.84 -0.66 3.45 5.08 -1.84 -2.90 114.58 117.20 3h1h h GLU 353 Ca 0.25 0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.70 3h1h h GLU 353 Cb 0.30 0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 3h1h h GLU 353 CO -0.28 -0.56 0.42 -0.39 -1.00 0.00 0.00 179.01 177.20 3h1h h VAL 354 N -0.87 1.10 -0.66 3.13 -1.51 -1.11 -0.60 116.25 115.73 3h1h h VAL 354 Ca -0.06 -0.28 0.14 0.00 -1.23 0.00 0.00 66.70 65.27 3h1h h VAL 354 Cb 0.72 0.20 -0.11 0.00 -2.13 0.00 0.00 31.29 29.98 3h1h h VAL 354 CO 0.04 0.15 0.05 0.50 -1.23 0.00 0.00 177.57 177.08 3h1h h LYS 355 N 0.83 0.15 0.32 5.19 3.64 -0.85 0.30 116.57 126.14 3h1h h LYS 355 Ca 0.26 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.62 3h1h h LYS 355 Cb -0.00 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.79 3h1h h LYS 355 CO -0.10 0.10 -0.15 -0.09 -2.27 0.00 0.00 179.45 176.94 3h1h h ARG 356 N 0.15 -0.41 -0.94 1.90 2.43 -1.23 -2.90 114.38 113.38 3h1h h ARG 356 Ca 0.36 0.03 0.28 0.00 -0.81 0.00 0.00 59.98 59.84 3h1h h ARG 356 Cb 0.59 0.09 -0.16 0.00 -0.42 0.00 0.00 29.97 30.08 3h1h h ARG 356 CO -0.54 -0.08 0.27 0.00 -1.51 0.00 0.00 179.97 178.11 3h1h h ALA 357 N -0.39 1.47 0.55 2.80 0.00 -0.10 0.17 119.26 123.77 3h1h h ALA 357 Ca -0.04 0.26 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 3h1h h ALA 357 Cb 0.52 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3h1h h ALA 357 CO 0.07 -0.58 -0.35 0.87 0.00 0.00 0.00 179.25 179.26 3h1h h LYS 358 N 0.14 -0.83 -0.98 0.00 1.57 -0.39 0.24 116.57 116.33 3h1h h LYS 358 Ca 0.63 0.06 0.12 0.00 -1.87 0.00 0.00 60.65 59.59 3h1h h LYS 358 Cb 1.39 0.19 -0.08 0.00 0.08 0.00 0.00 32.23 33.81 3h1h h LYS 358 CO -0.73 -0.55 0.62 -0.91 -0.57 0.00 0.00 179.45 177.31 3h1h h ASN 359 N -0.86 0.89 -0.54 0.86 2.35 -0.57 0.60 115.58 118.32 3h1h h ASN 359 Ca -0.07 0.04 -0.07 0.00 -0.55 0.00 0.00 56.30 55.65 3h1h h ASN 359 Cb 0.70 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.91 3h1h h ASN 359 CO 0.06 0.48 0.07 -0.74 -1.65 0.00 0.00 177.43 175.65 3h1h h HIS 360 N 0.96 1.00 -0.30 1.19 2.76 -0.49 -1.61 115.15 118.66 3h1h h HIS 360 Ca 0.48 -0.13 -0.09 0.00 -2.20 0.00 0.00 60.37 58.43 3h1h h HIS 360 Cb 0.49 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 3h1h h HIS 360 CO -0.00 0.87 -0.15 1.25 -1.30 0.00 0.00 177.93 178.59 3h1h h LEU 361 N 0.89 0.66 0.28 0.26 5.85 0.30 -1.91 115.31 121.63 3h1h h LEU 361 Ca 0.18 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 58.49 3h1h h LEU 361 Cb 0.43 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 3h1h h LEU 361 CO 0.01 0.92 -0.26 0.03 -0.34 0.00 0.00 178.44 178.81 3h1h h ARG 362 N 0.40 -0.54 -0.77 1.25 3.08 0.20 -0.25 114.38 117.74 3h1h h ARG 362 Ca 0.07 0.04 0.18 0.00 0.07 0.00 0.00 59.98 60.33 3h1h h ARG 362 Cb 0.68 0.12 -0.05 0.00 0.08 0.00 0.00 29.97 30.80 3h1h h ARG 362 CO 0.05 -0.36 0.53 0.77 -1.07 0.00 0.00 179.97 179.88 3h1h h SER 363 N -0.56 0.27 0.21 7.04 0.02 -1.28 -1.85 113.55 117.40 3h1h h SER 363 Ca -0.01 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 3h1h h SER 363 Cb 0.51 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.02 3h1h h SER 363 CO -0.04 0.13 -0.10 0.00 -1.14 0.00 0.00 176.83 175.67 3h1h h ALA 364 N 1.64 -0.29 -0.83 3.77 0.00 -0.26 -1.37 119.26 121.92 3h1h h ALA 364 Ca 0.38 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.15 3h1h h ALA 364 Cb 1.08 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 3h1h h ALA 364 CO -0.10 -0.51 0.54 0.00 0.00 0.00 0.00 179.25 179.18 3h1h h MET 365 N -0.59 1.04 -0.46 0.00 -0.00 -0.42 -1.44 114.93 113.06 3h1h h MET 365 Ca -0.03 -0.06 -0.01 0.00 -0.00 0.00 0.00 59.70 59.60 3h1h h MET 365 Cb 0.43 -0.23 -0.02 0.00 -0.00 0.00 0.00 31.60 31.77 3h1h h MET 365 CO 0.05 0.69 0.26 0.28 -0.00 0.00 0.00 176.91 178.19 3h1h h VAL 366 N 1.07 1.16 0.00 -0.10 2.07 -1.35 -1.55 116.25 117.55 3h1h h VAL 366 Ca 0.32 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.46 3h1h h VAL 366 Cb -0.04 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.31 3h1h h VAL 366 CO -0.10 0.16 0.00 0.00 0.02 0.00 0.00 177.57 177.65 3h1h h ALA 367 N 1.11 1.00 0.00 1.67 0.00 -0.56 -1.72 119.26 120.77 3h1h h ALA 367 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3h1h h ALA 367 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3h1h h ALA 367 CO -0.03 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.26 3h1h n GLN 368 N -2.69 0.01 -2.77 0.00 6.02 -0.58 -2.91 117.38 114.46 3h1h n GLN 368 Ca 0.00 0.21 -0.26 0.00 -0.01 0.00 0.00 57.00 56.95 3h1h n GLN 368 Cb 0.22 -1.52 -0.02 0.00 1.02 0.00 0.00 30.24 29.93 3h1h n GLN 368 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3h1h n LEU 369 N -1.54 4.25 -4.04 1.08 4.77 -0.64 -4.44 117.00 116.44 3h1h n LEU 369 Ca 0.04 -5.39 -0.36 0.00 -0.03 0.00 0.00 56.01 50.27 3h1h n LEU 369 Cb 0.21 -0.41 -0.05 0.00 -2.33 0.00 0.00 43.42 40.83 3h1h n LEU 369 CO 0.16 2.28 0.44 -0.67 -1.33 0.00 0.00 177.39 178.27 3h1h n ASP 370 N -0.30 4.49 0.00 -1.43 2.03 -1.15 -4.84 116.55 115.36 3h1h n ASP 370 Ca 0.33 -3.19 0.00 0.00 0.52 0.00 0.00 54.79 52.45 3h1h n ASP 370 Cb 0.53 -1.06 0.00 0.00 -0.72 0.00 0.00 41.12 39.87 3h1h n ASP 370 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3h1h n GLY 371 N 2.05 0.77 0.12 0.27 0.00 -1.26 -4.79 105.19 102.36 3h1h n GLY 371 Ca 0.23 -2.03 -0.23 0.00 0.00 0.00 0.00 46.02 43.99 3h1h n GLY 371 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3h1h n THR 372 N 6.35 1.58 -0.03 2.61 -2.24 -1.26 -3.67 114.28 117.62 3h1h n THR 372 Ca 0.00 -0.28 -0.09 0.00 -2.27 0.00 0.00 64.05 61.40 3h1h n THR 372 Cb 0.00 -1.89 -0.03 0.00 -2.10 0.00 0.00 70.33 66.31 3h1h n THR 372 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3h1h h THR 373 N -0.71 0.33 -0.82 4.28 2.02 -1.90 0.84 112.91 116.95 3h1h h THR 373 Ca -0.47 0.00 0.09 0.00 0.77 0.00 0.00 66.41 66.79 3h1h h THR 373 Cb 1.57 0.33 -0.06 0.00 -1.74 0.00 0.00 68.15 68.26 3h1h h THR 373 CO -0.20 0.00 0.54 1.55 0.37 0.00 0.00 175.52 177.78 3h1h h PRO 374 N -0.32 0.80 0.10 6.66 0.13 -1.86 0.11 132.00 137.61 3h1h h PRO 374 Ca 0.12 -0.05 -0.00 0.00 -0.87 0.00 0.00 66.00 65.19 3h1h h PRO 374 Cb 0.51 -0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.46 3h1h h PRO 374 CO -0.38 0.53 -0.05 0.28 -0.23 0.00 0.00 178.00 178.15 3h1h h VAL 375 N 0.82 1.08 -0.93 1.56 2.07 -1.31 -1.64 116.25 117.90 3h1h h VAL 375 Ca 0.37 -0.69 0.14 0.00 0.82 0.00 0.00 66.70 67.34 3h1h h VAL 375 Cb 0.37 1.52 -0.08 0.00 -1.52 0.00 0.00 31.29 31.59 3h1h h VAL 375 CO -0.14 0.17 0.59 0.00 0.02 0.00 0.00 177.57 178.21 3h1h h GLU 377 N 0.76 0.00 0.15 0.00 4.57 -0.52 0.51 114.58 120.06 3h1h h GLU 377 Ca 0.47 0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 58.37 3h1h h GLU 377 Cb 0.69 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.29 3h1h h GLU 377 CO -0.23 0.32 -1.28 1.15 -1.18 0.00 0.00 179.01 177.78 3h1h h THR 378 N 0.00 1.47 0.01 0.32 2.02 0.52 -2.86 112.91 114.38 3h1h h THR 378 Ca -0.00 -3.01 -0.00 0.00 0.77 0.00 0.00 66.41 64.16 3h1h h THR 378 Cb 0.65 2.96 0.00 0.00 -1.74 0.00 0.00 68.15 70.03 3h1h h THR 378 CO 0.04 0.88 -0.01 0.40 0.37 0.00 0.00 175.52 177.21 3h1h h ILE 379 N 0.09 1.41 -0.37 3.11 2.04 -0.84 0.39 117.51 123.34 3h1h h ILE 379 Ca -0.15 -1.30 0.11 0.00 1.00 0.00 0.00 64.86 64.52 3h1h h ILE 379 Cb 2.00 2.28 -0.01 0.00 -0.74 0.00 0.00 36.82 40.35 3h1h h ILE 379 CO 0.22 0.33 0.32 1.23 0.00 0.00 0.00 178.15 180.25 3h1h h GLY 380 N -0.58 0.00 0.00 5.37 0.00 -1.00 -2.75 103.07 104.11 3h1h h GLY 380 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.19 3h1h h GLY 380 CO 0.00 0.00 -0.92 1.76 0.00 0.00 0.00 176.54 177.38 3h1h h SER 381 N 0.00 0.00 -0.96 0.19 0.02 -1.39 -3.24 113.55 108.17 3h1h h SER 381 Ca 0.18 -0.32 0.22 0.00 -0.84 0.00 0.00 61.79 61.03 3h1h h SER 381 Cb 0.82 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.24 3h1h h SER 381 CO -0.00 1.18 0.53 0.45 -1.14 0.00 0.00 176.83 177.85 3h1h h HIS 382 N -1.00 0.91 0.51 3.45 -0.00 -0.79 0.22 115.15 118.44 3h1h h HIS 382 Ca -0.20 0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 60.18 3h1h h HIS 382 Cb 0.97 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 28.13 3h1h h HIS 382 CO -0.02 0.07 -0.24 -0.07 -0.00 0.00 0.00 177.93 177.67 3h1h h LEU 383 N 0.56 -0.58 -1.52 2.43 3.38 -1.25 1.09 115.31 119.43 3h1h h LEU 383 Ca 0.60 -0.07 0.18 0.00 0.09 0.00 0.00 57.88 58.68 3h1h h LEU 383 Cb 1.09 0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.93 3h1h h LEU 383 CO -0.47 -0.23 0.57 0.25 0.09 0.00 0.00 178.44 178.65 3h1h h LEU 384 N -0.96 0.41 0.00 1.67 5.85 -1.32 0.14 115.31 121.10 3h1h h LEU 384 Ca -0.07 0.04 -0.40 0.00 0.84 0.00 0.00 57.88 58.28 3h1h h LEU 384 Cb 0.61 -0.04 -0.06 0.00 0.37 0.00 0.00 40.66 41.54 3h1h h LEU 384 CO 0.11 0.18 -2.33 0.59 -0.34 0.00 0.00 178.44 176.66 3h1h n ASN 385 N -4.50 1.70 0.06 1.25 3.02 0.68 -4.66 115.26 112.81 3h1h n ASN 385 Ca 0.18 0.29 0.12 0.00 -0.03 0.00 0.00 54.58 55.14 3h1h n ASN 385 Cb 0.64 -0.71 0.09 0.00 -0.61 0.00 0.00 39.78 39.19 3h1h n ASN 385 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3h1h n TYR 386 N -4.08 0.52 -0.85 3.10 4.01 0.35 -4.70 117.16 115.51 3h1h n TYR 386 Ca -0.47 0.15 0.00 0.00 -0.16 0.00 0.00 57.90 57.42 3h1h n TYR 386 Cb 0.83 -0.63 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 3h1h n TYR 386 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3h1h n GLY 387 N 1.32 0.70 0.00 2.72 0.00 0.49 -4.95 105.19 105.48 3h1h n GLY 387 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3h1h n GLY 387 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3h1h n ARG 388 N -2.53 0.00 -4.87 1.61 1.85 -1.17 -4.85 116.66 106.69 3h1h n ARG 388 Ca 0.00 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.52 3h1h n ARG 388 Cb 0.00 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.27 3h1h n ARG 388 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 3h1h s ARG 389 N -0.78 2.93 -0.30 2.89 6.06 -1.26 -2.64 118.95 125.85 3h1h s ARG 389 Ca 0.00 -0.71 -0.06 0.00 -2.50 0.00 0.00 55.73 52.46 3h1h s ARG 389 Cb 0.00 -2.48 0.02 0.00 0.06 0.00 0.00 34.95 32.55 3h1h s ARG 389 CO 0.00 0.40 0.07 0.42 -2.50 0.00 0.00 175.30 173.69 3h1h s ILE 390 N -0.16 3.79 0.44 4.11 1.01 -1.26 -5.08 121.20 124.05 3h1h s ILE 390 Ca -0.01 -0.85 -0.21 0.00 0.00 0.00 0.00 60.65 59.59 3h1h s ILE 390 Cb -0.13 -3.01 -0.11 0.00 0.01 0.00 0.00 42.46 39.22 3h1h s ILE 390 CO 0.03 0.02 0.96 -0.94 0.00 0.00 0.00 174.94 175.01 3h1h s SER 391 N 1.45 6.89 0.35 3.58 1.04 -1.26 -4.83 113.70 120.92 3h1h s SER 391 Ca 0.01 1.68 0.12 0.00 0.48 0.00 0.00 55.95 58.25 3h1h s SER 391 Cb -0.18 -2.54 0.96 0.00 0.10 0.00 0.00 66.02 64.36 3h1h s SER 391 CO 0.02 -0.39 1.74 -0.07 0.98 0.00 0.00 173.24 175.52 3h1h h LEU 392 N 1.80 0.60 -0.95 2.42 3.38 -1.98 0.99 115.31 121.57 3h1h h LEU 392 Ca -0.49 0.12 0.14 0.00 0.09 0.00 0.00 57.88 57.74 3h1h h LEU 392 Cb 1.18 0.02 -0.09 0.00 0.09 0.00 0.00 40.66 41.86 3h1h h LEU 392 CO 0.61 0.10 0.57 -0.08 0.09 0.00 0.00 178.44 179.73 3h1h h GLU 393 N 0.52 0.80 0.29 1.13 4.81 -1.92 0.21 114.58 120.42 3h1h h GLU 393 Ca 0.63 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.80 3h1h h GLU 393 Cb 1.32 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.52 3h1h h GLU 393 CO -0.41 0.53 -0.14 1.49 -0.73 0.00 0.00 179.01 179.75 3h1h h GLU 394 N 0.83 -0.37 -0.87 1.92 4.81 0.60 -3.12 114.58 118.37 3h1h h GLU 394 Ca 0.50 0.03 0.14 0.00 -0.13 0.00 0.00 59.36 59.90 3h1h h GLU 394 Cb 0.63 0.08 -0.14 0.00 0.63 0.00 0.00 28.75 29.95 3h1h h GLU 394 CO -0.32 -0.25 -0.34 0.91 -0.73 0.00 0.00 179.01 178.29 3h1h n TRP 395 N -4.99 0.04 -0.24 0.92 5.03 -0.49 0.11 117.44 117.82 3h1h n TRP 395 Ca -0.05 1.08 0.03 0.00 3.03 0.00 0.00 57.50 61.59 3h1h n TRP 395 Cb 0.15 -0.83 0.16 0.00 -1.03 0.00 0.00 31.31 29.76 3h1h n TRP 395 CO 0.00 0.00 0.00 0.22 -0.03 0.00 0.00 177.69 177.88 3h1h h ASP 396 N 0.00 0.21 -0.77 -0.99 1.82 -1.05 0.14 116.42 115.77 3h1h h ASP 396 Ca 0.31 0.10 -0.03 0.00 -0.39 0.00 0.00 57.03 57.03 3h1h h ASP 396 Cb 0.53 0.10 -0.04 0.00 0.68 0.00 0.00 39.33 40.60 3h1h h ASP 396 CO -0.87 0.09 0.38 -1.28 -1.61 0.00 0.00 179.24 175.95 3h1h h SER 397 N 0.40 1.01 -0.18 2.28 0.87 0.79 0.49 113.55 119.21 3h1h h SER 397 Ca 0.37 -0.13 -0.10 0.00 -1.23 0.00 0.00 61.79 60.71 3h1h h SER 397 Cb 0.55 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 3h1h h SER 397 CO -0.39 0.85 -0.21 0.03 -0.53 0.00 0.00 176.83 176.59 3h1h h ARG 398 N 1.09 0.62 -0.00 2.24 3.08 -0.24 -2.57 114.38 118.60 3h1h h ARG 398 Ca 0.27 -0.23 -0.26 0.00 0.07 0.00 0.00 59.98 59.83 3h1h h ARG 398 Cb 0.11 -0.04 0.02 0.00 0.08 0.00 0.00 29.97 30.14 3h1h h ARG 398 CO -0.04 0.79 -1.01 0.82 -1.07 0.00 0.00 179.97 179.46 3h1h h ILE 399 N 0.55 1.29 0.00 2.04 2.04 -0.33 -3.20 117.51 119.90 3h1h h ILE 399 Ca 0.08 -2.23 -0.02 0.00 1.00 0.00 0.00 64.86 63.70 3h1h h ILE 399 Cb 0.66 2.39 -0.00 0.00 -0.74 0.00 0.00 36.82 39.12 3h1h h ILE 399 CO 0.05 0.69 -0.07 0.28 0.00 0.00 0.00 178.15 179.09 3h1h h SER 400 N 0.36 0.00 1.17 1.72 0.02 0.11 -2.50 113.55 114.44 3h1h h SER 400 Ca -0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 3h1h h SER 400 Cb 1.67 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.21 3h1h h SER 400 CO 0.20 0.07 0.00 0.00 -1.14 0.00 0.00 176.83 175.96 3h1h n ALA 401 N -2.29 2.29 -2.15 3.77 0.00 -0.98 -4.83 120.51 116.33 3h1h n ALA 401 Ca -0.02 -0.07 -0.41 0.00 0.00 0.00 0.00 53.44 52.94 3h1h n ALA 401 Cb 0.18 -1.47 -0.04 0.00 0.00 0.00 0.00 19.45 18.13 3h1h n ALA 401 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3h1h s VAL 402 N -3.04 3.86 0.21 0.00 1.01 -0.94 -5.04 120.40 116.45 3h1h s VAL 402 Ca 0.12 1.54 0.02 0.00 0.00 0.00 0.00 61.98 63.66 3h1h s VAL 402 Cb 0.16 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 3h1h s VAL 402 CO 0.55 0.23 0.03 1.51 0.00 0.00 0.00 175.10 177.43 3h1h s ASP 403 N 0.19 1.23 0.00 3.32 -4.77 -1.26 -4.96 116.67 110.42 3h1h s ASP 403 Ca 0.52 -1.25 0.00 0.00 -3.30 0.00 0.00 52.55 48.52 3h1h s ASP 403 Cb -0.30 0.13 0.00 0.00 -1.09 0.00 0.00 42.92 41.66 3h1h s ASP 403 CO 0.34 -0.62 0.92 0.00 0.70 0.00 0.00 175.17 176.51 3h1h n ALA 404 N -0.33 -0.12 -0.44 2.11 0.00 -1.26 -0.48 120.51 119.99 3h1h n ALA 404 Ca -0.04 0.00 0.36 0.00 0.00 0.00 0.00 53.44 53.75 3h1h n ALA 404 Cb 0.64 0.33 0.55 0.00 0.00 0.00 0.00 19.45 20.97 3h1h n ALA 404 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3h1h n ARG 405 N -2.42 0.00 0.02 0.00 0.00 -1.26 0.11 116.66 113.10 3h1h n ARG 405 Ca 0.00 0.82 -0.21 0.00 -0.00 0.00 0.00 57.85 58.46 3h1h n ARG 405 Cb 0.00 -1.93 -0.14 0.00 0.00 0.00 0.00 32.46 30.39 3h1h n ARG 405 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.63 179.61 3h1h h MET 406 N 0.00 0.24 -0.65 -0.14 4.05 -1.18 -3.05 114.93 114.20 3h1h h MET 406 Ca 0.62 -0.41 0.02 0.00 -0.28 0.00 0.00 59.70 59.66 3h1h h MET 406 Cb 2.72 0.15 -0.04 0.00 -0.80 0.00 0.00 31.60 33.64 3h1h h MET 406 CO -0.01 1.20 0.41 0.28 0.23 0.00 0.00 176.91 179.02 3h1h h VAL 407 N -0.40 1.10 0.37 -5.77 2.07 0.19 -2.30 116.25 111.50 3h1h h VAL 407 Ca -0.23 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 3h1h h VAL 407 Cb 1.65 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 3h1h h VAL 407 CO 0.08 0.15 -0.33 0.03 0.02 0.00 0.00 177.57 177.52 3h1h h ARG 408 N 0.80 -0.66 -0.79 1.57 3.08 -1.34 -2.02 114.38 115.02 3h1h h ARG 408 Ca 0.26 0.05 0.18 0.00 0.07 0.00 0.00 59.98 60.54 3h1h h ARG 408 Cb 0.00 0.15 -0.14 0.00 0.08 0.00 0.00 29.97 30.06 3h1h h ARG 408 CO -0.10 -0.44 0.00 -0.44 -1.07 0.00 0.00 179.97 177.93 3h1h h ASP 409 N -0.69 -0.37 0.08 7.04 3.32 -1.39 -0.34 116.42 124.06 3h1h h ASP 409 Ca -0.05 0.21 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 3h1h h ASP 409 Cb 0.59 0.37 0.00 0.00 0.22 0.00 0.00 39.33 40.51 3h1h h ASP 409 CO -0.02 -0.20 -0.04 0.58 -1.72 0.00 0.00 179.24 177.84 3h1h h VAL 410 N 0.09 1.10 -0.78 -1.35 2.07 -1.31 -0.38 116.25 115.69 3h1h h VAL 410 Ca 0.44 -0.66 0.06 0.00 0.82 0.00 0.00 66.70 67.36 3h1h h VAL 410 Cb 0.79 1.53 -0.06 0.00 -1.52 0.00 0.00 31.29 32.03 3h1h h VAL 410 CO -0.71 0.16 0.47 0.00 0.02 0.00 0.00 177.57 177.52 3h1h h SER 412 N 0.86 -0.41 -0.54 0.00 0.02 -0.99 1.25 113.55 113.74 3h1h h SER 412 Ca 0.34 0.05 0.13 0.00 -0.84 0.00 0.00 61.79 61.47 3h1h h SER 412 Cb 0.18 0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.85 3h1h h SER 412 CO -0.18 -0.21 0.37 0.50 -1.14 0.00 0.00 176.83 176.18 3h1h h LYS 413 N -0.27 0.15 0.00 3.45 3.64 0.74 -2.53 116.57 121.74 3h1h h LYS 413 Ca 0.03 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.36 3h1h h LYS 413 Cb 0.31 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 3h1h h LYS 413 CO -0.10 0.10 -1.69 0.66 -2.27 0.00 0.00 179.45 176.15 3h1h n TYR 414 N -4.43 0.00 -0.07 1.91 4.02 0.23 -4.85 117.16 113.97 3h1h n TYR 414 Ca 0.09 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.83 3h1h n TYR 414 Cb 0.50 -0.38 -0.05 0.00 -0.02 0.00 0.00 39.34 39.39 3h1h n TYR 414 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 3h1h n ILE 415 N -2.08 0.84 -1.70 -0.72 5.41 0.42 -4.71 119.36 116.83 3h1h n ILE 415 Ca -0.06 -0.18 -0.55 0.00 1.00 0.00 0.00 62.75 62.96 3h1h n ILE 415 Cb 0.47 -1.72 -0.06 0.00 -0.71 0.00 0.00 39.64 37.62 3h1h n ILE 415 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3h1h n TYR 416 N -3.68 2.12 -3.74 1.39 9.36 -0.96 -2.06 117.16 119.59 3h1h n TYR 416 Ca -0.28 0.39 -0.28 0.00 3.32 0.00 0.00 57.90 61.05 3h1h n TYR 416 Cb 0.68 -2.51 0.04 0.00 -0.63 0.00 0.00 39.34 36.92 3h1h n TYR 416 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 3h1h n ASP 417 N 5.61 -5.40 -4.76 2.98 4.64 0.15 -4.94 116.55 114.84 3h1h n ASP 417 Ca 0.25 -0.66 -0.32 0.00 -1.38 0.00 0.00 54.79 52.69 3h1h n ASP 417 Cb 0.18 -4.29 -0.07 0.00 -1.04 0.00 0.00 41.12 35.90 3h1h n ASP 417 CO 0.00 0.00 0.00 -0.54 -0.82 0.00 0.00 177.20 175.84 3h1h s LYS 418 N -6.45 2.90 -0.30 -0.67 -0.14 -0.87 -5.06 119.74 109.14 3h1h s LYS 418 Ca 0.61 -0.62 -0.27 0.00 -1.36 0.00 0.00 55.97 54.33 3h1h s LYS 418 Cb -0.30 -2.75 0.01 0.00 -1.68 0.00 0.00 37.83 33.12 3h1h s LYS 418 CO 0.76 0.60 0.99 0.00 -0.76 0.00 0.00 175.35 176.94 3h1h s PRO 420 N 3.40 2.80 -0.14 0.00 0.04 -1.26 -4.18 135.00 135.65 3h1h s PRO 420 Ca 0.42 -0.18 -0.04 0.00 0.04 0.00 0.00 61.00 61.23 3h1h s PRO 420 Cb -0.13 -2.32 -0.03 0.00 0.04 0.00 0.00 34.50 32.06 3h1h s PRO 420 CO 0.13 -0.72 0.01 0.00 0.04 0.00 0.00 177.00 176.47 3h1h s ALA 421 N -2.95 3.24 0.00 8.56 0.00 0.55 -1.78 121.76 129.40 3h1h s ALA 421 Ca 0.54 -0.78 0.01 0.00 0.00 0.00 0.00 51.96 51.73 3h1h s ALA 421 Cb -0.10 -1.66 -0.01 0.00 0.00 0.00 0.00 23.12 21.35 3h1h s ALA 421 CO 0.43 0.33 -0.04 -1.17 0.00 0.00 0.00 175.76 175.31 3h1h s LEU 422 N -0.05 2.05 -0.07 0.00 2.96 0.86 -0.76 118.68 123.67 3h1h s LEU 422 Ca 0.04 -0.15 0.01 0.00 -0.22 0.00 0.00 54.13 53.81 3h1h s LEU 422 Cb -0.13 -0.18 0.02 0.00 0.50 0.00 0.00 46.19 46.40 3h1h s LEU 422 CO 0.02 0.00 -0.08 0.00 -1.32 0.00 0.00 176.35 174.97 3h1h s ALA 423 N -0.30 1.03 -0.02 5.97 0.00 -0.62 -1.34 121.76 126.47 3h1h s ALA 423 Ca -0.01 -0.29 0.06 0.00 0.00 0.00 0.00 51.96 51.72 3h1h s ALA 423 Cb -0.03 -0.60 -0.01 0.00 0.00 0.00 0.00 23.12 22.47 3h1h s ALA 423 CO -0.00 -0.09 -0.18 0.00 0.00 0.00 0.00 175.76 175.49 3h1h s ALA 424 N 1.07 1.54 0.01 0.00 0.00 -0.49 -1.72 121.76 122.17 3h1h s ALA 424 Ca -0.08 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.10 3h1h s ALA 424 Cb -0.14 -0.40 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 3h1h s ALA 424 CO -0.01 0.37 -0.05 0.08 0.00 0.00 0.00 175.76 176.16 3h1h s VAL 425 N -0.42 0.34 0.00 0.00 1.01 -0.38 -0.23 120.40 120.72 3h1h s VAL 425 Ca 0.07 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.59 3h1h s VAL 425 Cb -0.07 -0.35 0.00 0.00 0.00 0.00 0.00 36.38 35.96 3h1h s VAL 425 CO -0.01 -0.08 0.00 0.61 0.00 0.00 0.00 175.10 175.62 3h1h n GLY 426 N 2.48 0.50 2.36 4.51 0.00 -0.40 -0.76 105.19 113.87 3h1h n GLY 426 Ca -0.16 -1.77 -0.28 0.00 0.00 0.00 0.00 46.02 43.81 3h1h n GLY 426 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3h1h n PRO 427 N 0.00 2.99 0.00 1.61 -0.04 -1.20 0.11 135.00 138.46 3h1h n PRO 427 Ca 0.00 -2.30 0.00 0.00 -0.04 0.00 0.00 63.50 61.16 3h1h n PRO 427 Cb 0.00 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.16 3h1h n PRO 427 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3h1h n ILE 428 N 1.73 0.00 -0.22 0.52 -5.35 -1.26 -4.47 119.36 110.32 3h1h n ILE 428 Ca 0.54 0.00 0.03 0.00 -0.27 0.00 0.00 62.75 63.05 3h1h n ILE 428 Cb 0.52 -0.40 0.28 0.00 -1.74 0.00 0.00 39.64 38.30 3h1h n ILE 428 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 3h1h h GLU 429 N 0.19 0.90 0.00 6.28 4.81 -1.89 -2.18 114.58 122.69 3h1h h GLU 429 Ca 0.00 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 3h1h h GLU 429 Cb 0.40 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.57 3h1h h GLU 429 CO 0.00 0.60 -0.26 0.37 -0.73 0.00 0.00 179.01 178.99 3h1h h GLN 430 N 0.93 0.00 -6.03 1.92 4.15 -1.78 -3.41 115.11 110.89 3h1h h GLN 430 Ca 0.30 0.00 -0.57 0.00 0.77 0.00 0.00 58.65 59.15 3h1h h GLN 430 Cb 0.05 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.68 3h1h h GLN 430 CO -0.09 0.26 0.50 -1.17 -1.93 0.00 0.00 178.83 176.40 3h1h s LEU 431 N -6.75 4.18 0.21 -2.39 2.96 -0.82 -4.54 118.68 111.53 3h1h s LEU 431 Ca 0.01 1.28 -0.14 0.00 -0.22 0.00 0.00 54.13 55.07 3h1h s LEU 431 Cb 0.10 -3.35 0.01 0.00 0.50 0.00 0.00 46.19 43.44 3h1h s LEU 431 CO 0.65 -0.46 0.46 -0.22 -1.32 0.00 0.00 176.35 175.46 3h1h s LEU 432 N 2.31 0.36 0.05 -0.68 2.96 -1.26 -4.99 118.68 117.43 3h1h s LEU 432 Ca 0.41 -0.74 0.00 0.00 -0.22 0.00 0.00 54.13 53.58 3h1h s LEU 432 Cb -0.17 1.80 0.00 0.00 0.50 0.00 0.00 46.19 48.33 3h1h s LEU 432 CO 0.12 -1.06 0.00 -0.67 -1.32 0.00 0.00 176.35 173.42 3h1h n ASP 433 N -0.33 -8.05 -0.15 3.68 4.64 -1.26 -4.52 116.55 110.55 3h1h n ASP 433 Ca -0.06 1.68 -0.03 0.00 -1.38 0.00 0.00 54.79 55.00 3h1h n ASP 433 Cb 0.62 -4.66 0.06 0.00 -1.04 0.00 0.00 41.12 36.10 3h1h n ASP 433 CO 0.00 0.00 0.00 0.22 -0.82 0.00 0.00 177.20 176.60 3h1h h TYR 434 N 4.28 0.25 -0.66 -0.67 3.20 -1.98 -1.68 116.97 119.69 3h1h h TYR 434 Ca 0.00 0.03 0.12 0.00 3.14 0.00 0.00 58.73 62.01 3h1h h TYR 434 Cb 0.00 -0.04 -0.12 0.00 1.54 0.00 0.00 36.73 38.11 3h1h h TYR 434 CO 0.00 0.06 -0.31 -0.91 -1.64 0.00 0.00 178.16 175.36 3h1h h ASN 435 N 0.30 -1.10 -0.45 -2.11 2.35 -1.99 0.61 115.58 113.20 3h1h h ASN 435 Ca 0.24 0.23 0.00 0.00 -0.55 0.00 0.00 56.30 56.22 3h1h h ASN 435 Cb 0.27 0.57 -0.02 0.00 0.05 0.00 0.00 38.32 39.20 3h1h h ASN 435 CO -0.27 -0.29 0.29 0.03 -1.65 0.00 0.00 177.43 175.54 3h1h h ARG 436 N -0.12 0.60 -0.64 0.81 2.47 -1.60 -1.89 114.38 114.02 3h1h h ARG 436 Ca 0.27 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.93 3h1h h ARG 436 Cb 0.55 -0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 28.71 3h1h h ARG 436 CO -0.73 0.41 0.32 0.82 0.56 0.00 0.00 179.97 181.35 3h1h h ILE 437 N 0.61 1.20 -0.29 2.04 2.04 -0.30 -2.25 117.51 120.56 3h1h h ILE 437 Ca 0.16 -0.55 -0.04 0.00 1.00 0.00 0.00 64.86 65.44 3h1h h ILE 437 Cb -0.05 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 3h1h h ILE 437 CO -0.03 0.23 0.02 -0.09 0.00 0.00 0.00 178.15 178.27 3h1h h ARG 438 N 0.89 0.44 -0.00 2.37 9.65 0.90 -1.63 114.38 127.00 3h1h h ARG 438 Ca 0.22 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 59.02 3h1h h ARG 438 Cb 0.07 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 3h1h h ARG 438 CO -0.03 0.45 -0.08 0.43 2.80 0.00 0.00 179.97 183.54 3h1h n SER 439 N -4.32 0.14 -0.34 -3.80 7.64 -0.84 -2.17 113.62 109.92 3h1h n SER 439 Ca 0.01 0.07 0.03 0.00 1.01 0.00 0.00 58.87 59.99 3h1h n SER 439 Cb 0.21 -0.28 0.08 0.00 -1.01 0.00 0.00 64.21 63.21 3h1h n SER 439 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h1h n GLY 440 N 1.41 -0.11 1.48 0.23 0.00 -0.61 -3.40 105.19 104.18 3h1h n GLY 440 Ca 0.10 -0.20 0.09 0.00 0.00 0.00 0.00 46.02 46.02 3h1h n GLY 440 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3h1h n MET 441 N 0.03 3.38 -3.55 1.61 2.00 -0.92 -4.80 117.12 114.86 3h1h n MET 441 Ca 0.06 -2.68 -0.15 0.00 0.00 0.00 0.00 57.70 54.93 3h1h n MET 441 Cb 0.16 -1.80 -0.06 0.00 0.00 0.00 0.00 33.22 31.52 3h1h n MET 441 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 175.97 177.49 3h1h s TYR 442 N -1.66 -0.60 -0.00 2.03 -0.85 -1.22 -0.67 117.35 114.38 3h1h s TYR 442 Ca 0.48 1.11 -0.00 0.00 -0.52 0.00 0.00 57.07 58.15 3h1h s TYR 442 Cb 0.30 0.40 0.00 0.00 0.38 0.00 0.00 41.96 43.04 3h1h s TYR 442 CO 0.25 -0.50 0.00 1.87 -1.52 0.00 0.00 175.55 175.66 3h1h n TRP 443 N 1.17 -0.10 0.00 -3.49 -0.00 -1.26 -5.04 117.44 108.72 3h1h n TRP 443 Ca -0.16 0.06 0.00 0.00 -0.00 0.00 0.00 57.50 57.40 3h1h n TRP 443 Cb 0.57 -1.65 0.00 0.00 -0.00 0.00 0.00 31.31 30.22 3h1h n TRP 443 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 177.69 178.13