#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rfu n GLU 2 N 0.00 2.00 -2.84 3.17 4.71 -1.26 -4.74 120.64 121.68 1rfu n GLU 2 Ca 0.00 -1.49 -0.20 0.00 -0.01 0.00 0.00 57.16 55.46 1rfu n GLU 2 Cb 0.00 -1.46 0.02 0.00 -1.01 0.00 0.00 31.44 29.00 1rfu n GLU 2 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 1rfu s GLU 3 N -1.84 2.74 -0.85 3.49 2.02 -1.26 -5.03 118.70 117.97 1rfu s GLU 3 Ca 0.34 -0.83 -0.19 0.00 0.02 0.00 0.00 54.97 54.31 1rfu s GLU 3 Cb 0.20 -2.58 0.12 0.00 0.10 0.00 0.00 34.13 31.97 1rfu s GLU 3 CO 0.30 -0.48 1.06 -1.21 0.02 0.00 0.00 175.26 174.95 1rfu s GLU 4 N -4.60 3.46 -0.27 1.61 0.41 -1.26 -4.97 118.70 113.08 1rfu s GLU 4 Ca 0.54 -1.56 -0.05 0.00 -0.41 0.00 0.00 54.97 53.50 1rfu s GLU 4 Cb -0.10 -4.72 0.02 0.00 -1.78 0.00 0.00 34.13 27.54 1rfu s GLU 4 CO 0.37 -1.76 0.02 0.00 -0.49 0.00 0.00 175.26 173.40 1rfu s ARG 6 N 1.43 3.21 -0.11 0.00 3.52 -1.26 -0.27 118.95 125.47 1rfu s ARG 6 Ca 0.02 -0.29 0.01 0.00 -0.13 0.00 0.00 55.73 55.34 1rfu s ARG 6 Cb -0.17 -2.97 0.02 0.00 -1.56 0.00 0.00 34.95 30.27 1rfu s ARG 6 CO -0.00 0.72 -0.14 0.08 -0.81 0.00 0.00 175.30 175.14 1rfu s VAL 7 N -0.90 1.44 -0.73 7.11 1.01 -0.01 -1.07 120.40 127.25 1rfu s VAL 7 Ca 0.14 -0.60 -0.16 0.00 0.00 0.00 0.00 61.98 61.36 1rfu s VAL 7 Cb -0.12 -1.33 0.17 0.00 0.00 0.00 0.00 36.38 35.10 1rfu s VAL 7 CO 0.03 0.43 0.73 -0.22 0.00 0.00 0.00 175.10 176.07 1rfu s LEU 8 N 1.09 6.18 -0.16 3.92 2.96 -1.08 -0.16 118.68 131.43 1rfu s LEU 8 Ca -0.05 -2.18 -0.19 0.00 -0.22 0.00 0.00 54.13 51.50 1rfu s LEU 8 Cb -0.14 -2.25 -0.04 0.00 0.50 0.00 0.00 46.19 44.26 1rfu s LEU 8 CO -0.03 -0.80 0.51 -0.55 -1.32 0.00 0.00 176.35 174.17 1rfu s SER 9 N 2.95 6.63 -0.35 3.68 0.15 0.33 -2.12 113.70 124.98 1rfu s SER 9 Ca 0.15 0.76 0.03 0.00 0.70 0.00 0.00 55.95 57.59 1rfu s SER 9 Cb -0.17 -2.30 0.10 0.00 -1.71 0.00 0.00 66.02 61.94 1rfu s SER 9 CO -0.03 -0.11 0.07 -0.63 1.20 0.00 0.00 173.24 173.73 1rfu s ILE 10 N 1.21 2.42 0.36 6.45 1.01 0.18 -1.00 121.20 131.83 1rfu s ILE 10 Ca 0.26 -2.28 -0.10 0.00 0.00 0.00 0.00 60.65 58.52 1rfu s ILE 10 Cb -0.15 -2.75 0.04 0.00 0.01 0.00 0.00 42.46 39.60 1rfu s ILE 10 CO 0.10 -0.59 0.65 0.00 0.00 0.00 0.00 174.94 175.10 1rfu n GLN 11 N 4.30 0.93 -1.69 2.79 6.02 -0.77 -1.33 117.38 127.63 1rfu n GLN 11 Ca 0.03 -2.31 -0.34 0.00 -0.01 0.00 0.00 57.00 54.36 1rfu n GLN 11 Cb 0.42 2.61 0.06 0.00 1.02 0.00 0.00 30.24 34.35 1rfu n GLN 11 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1rfu s SER 12 N -3.00 4.75 -0.03 1.08 1.04 -1.22 -0.83 113.70 115.48 1rfu s SER 12 Ca 0.20 2.26 0.03 0.00 0.48 0.00 0.00 55.95 58.92 1rfu s SER 12 Cb -0.03 -2.58 -0.00 0.00 0.10 0.00 0.00 66.02 63.51 1rfu s SER 12 CO 0.14 -1.89 -0.13 -2.28 0.98 0.00 0.00 173.24 170.07 1rfu s HIS 13 N -1.98 1.26 -0.01 5.02 2.46 0.37 0.12 115.29 122.53 1rfu s HIS 13 Ca 0.73 -0.32 0.07 0.00 0.47 0.00 0.00 55.06 56.00 1rfu s HIS 13 Cb -0.27 -0.86 -0.02 0.00 -0.13 0.00 0.00 32.58 31.30 1rfu s HIS 13 CO 0.40 -0.11 -0.22 0.14 -2.47 0.00 0.00 174.74 172.48 1rfu s VAL 14 N 0.07 1.73 0.07 0.89 -7.23 -1.26 -0.83 120.40 113.83 1rfu s VAL 14 Ca -0.02 -0.97 -0.26 0.00 -1.81 0.00 0.00 61.98 58.91 1rfu s VAL 14 Cb -0.09 -1.45 -0.17 0.00 0.56 0.00 0.00 36.38 35.23 1rfu s VAL 14 CO 0.01 0.46 1.61 0.58 -0.31 0.00 0.00 175.10 177.45 1rfu h VAL 15 N 4.56 0.80 -3.55 1.32 2.07 -0.12 -3.42 116.25 117.91 1rfu h VAL 15 Ca -0.40 -0.16 -0.68 0.00 0.82 0.00 0.00 66.70 66.27 1rfu h VAL 15 Cb 1.14 0.90 -0.17 0.00 -1.52 0.00 0.00 31.29 31.64 1rfu h VAL 15 CO 0.47 0.04 -0.67 -0.60 0.02 0.00 0.00 177.57 176.83 1rfu s ARG 16 N -5.81 2.79 0.00 1.57 3.52 -0.29 -5.04 118.95 115.68 1rfu s ARG 16 Ca -0.15 -0.54 0.00 0.00 -0.13 0.00 0.00 55.73 54.92 1rfu s ARG 16 Cb 0.04 -2.64 0.00 0.00 -1.56 0.00 0.00 34.95 30.80 1rfu s ARG 16 CO 0.64 0.66 0.00 0.41 -0.81 0.00 0.00 175.30 176.20 1rfu n GLY 17 N 2.06 0.95 3.01 8.12 0.00 -1.26 -4.52 105.19 113.55 1rfu n GLY 17 Ca -0.18 -2.06 -0.31 0.00 0.00 0.00 0.00 46.02 43.48 1rfu n GLY 17 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1rfu s TYR 18 N -1.56 3.16 -0.05 1.61 1.51 -1.26 -4.80 117.35 115.96 1rfu s TYR 18 Ca 0.00 -2.40 -0.29 0.00 -1.01 0.00 0.00 57.07 53.37 1rfu s TYR 18 Cb 0.00 -2.17 0.11 0.00 -0.11 0.00 0.00 41.96 39.79 1rfu s TYR 18 CO 0.00 -0.88 0.91 0.54 -1.11 0.00 0.00 175.55 175.01 1rfu s VAL 19 N 1.13 0.00 0.00 0.71 0.11 -1.26 -4.39 120.40 116.70 1rfu s VAL 19 Ca -0.01 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.04 1rfu s VAL 19 Cb -0.19 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.66 1rfu s VAL 19 CO -0.07 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.31 1rfu n GLY 20 N 0.04 1.70 0.29 6.54 0.00 -1.26 -2.01 105.19 110.50 1rfu n GLY 20 Ca -0.09 -0.52 0.12 0.00 0.00 0.00 0.00 46.02 45.52 1rfu n GLY 20 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1rfu h ASN 21 N 9.33 0.00 -0.86 1.61 -0.26 0.77 -0.84 115.58 125.33 1rfu h ASN 21 Ca 0.00 0.00 0.05 0.00 -0.56 0.00 0.00 56.30 55.79 1rfu h ASN 21 Cb 0.00 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.21 1rfu h ASN 21 CO 0.00 0.00 0.56 0.03 -1.06 0.00 0.00 177.43 176.96 1rfu h ARG 22 N 0.00 0.99 0.00 0.81 2.47 -1.55 0.22 114.38 117.32 1rfu h ARG 22 Ca 0.05 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 1rfu h ARG 22 Cb 0.21 -0.22 0.00 0.00 -1.65 0.00 0.00 29.97 28.31 1rfu h ARG 22 CO -0.00 0.65 -0.84 0.00 0.56 0.00 0.00 179.97 180.34 1rfu n ALA 23 N -2.41 2.85 -0.05 0.04 0.00 -0.38 -4.32 120.51 116.25 1rfu n ALA 23 Ca 0.12 -0.27 -0.16 0.00 0.00 0.00 0.00 53.44 53.14 1rfu n ALA 23 Cb 0.16 -1.11 -0.14 0.00 0.00 0.00 0.00 19.45 18.35 1rfu n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rfu n ALA 24 N -1.96 1.26 -0.06 0.00 0.00 -0.78 -4.42 120.51 114.54 1rfu n ALA 24 Ca 0.02 -0.87 -0.11 0.00 0.00 0.00 0.00 53.44 52.48 1rfu n ALA 24 Cb 0.48 -0.52 -0.05 0.00 0.00 0.00 0.00 19.45 19.37 1rfu n ALA 24 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1rfu h THR 25 N 0.03 1.21 0.43 0.00 2.02 -0.78 -2.92 112.91 112.89 1rfu h THR 25 Ca -0.44 -0.69 -0.01 0.00 0.77 0.00 0.00 66.41 66.04 1rfu h THR 25 Cb 2.03 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 69.72 1rfu h THR 25 CO 0.04 0.21 -0.37 0.15 0.37 0.00 0.00 175.52 175.92 1rfu h PHE 26 N 0.12 -1.00 -0.09 3.16 3.57 -1.80 -0.36 116.94 120.55 1rfu h PHE 26 Ca 0.06 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.59 1rfu h PHE 26 Cb 0.29 0.38 -0.05 0.00 2.79 0.00 0.00 35.95 39.35 1rfu h PHE 26 CO 0.01 -0.53 -0.45 -1.35 -2.23 0.00 0.00 178.31 173.76 1rfu h PRO 27 N -0.81 -0.48 -0.89 6.41 0.11 -1.78 0.59 132.00 135.15 1rfu h PRO 27 Ca -0.04 0.03 0.19 0.00 0.11 0.00 0.00 66.00 66.29 1rfu h PRO 27 Cb 0.70 0.11 -0.11 0.00 0.11 0.00 0.00 31.00 31.81 1rfu h PRO 27 CO -0.03 -0.32 0.44 -0.07 -0.21 0.00 0.00 178.00 177.81 1rfu h LEU 28 N -0.50 0.47 0.40 2.35 3.38 -1.48 0.62 115.31 120.55 1rfu h LEU 28 Ca 0.02 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1rfu h LEU 28 Cb 0.57 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1rfu h LEU 28 CO -0.35 0.12 -0.19 1.56 0.09 0.00 0.00 178.44 179.67 1rfu h GLN 29 N 0.54 -0.52 0.00 1.13 4.20 0.84 -1.09 115.11 120.20 1rfu h GLN 29 Ca 0.52 0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.27 1rfu h GLN 29 Cb 0.88 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.78 1rfu h GLN 29 CO -0.44 -0.21 0.04 1.33 -0.67 0.00 0.00 178.83 178.88 1rfu n VAL 30 N -5.18 1.21 0.75 -0.54 0.24 0.19 0.04 118.33 115.04 1rfu n VAL 30 Ca -0.10 0.68 0.12 0.00 -2.04 0.00 0.00 64.34 63.00 1rfu n VAL 30 Cb 0.29 -1.68 0.19 0.00 -1.47 0.00 0.00 33.84 31.16 1rfu n VAL 30 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1rfu n LEU 31 N -2.03 0.60 0.00 1.34 4.77 0.17 -4.89 117.00 116.96 1rfu n LEU 31 Ca -0.01 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1rfu n LEU 31 Cb 0.07 -0.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1rfu n LEU 31 CO 0.07 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 1rfu n GLY 32 N 1.41 0.94 3.84 -0.72 0.00 0.11 -2.05 105.19 108.73 1rfu n GLY 32 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1rfu n GLY 32 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rfu s PHE 33 N -2.00 3.40 -0.34 1.61 0.40 -0.51 -4.76 117.98 115.79 1rfu s PHE 33 Ca 0.00 1.37 -0.15 0.00 -0.60 0.00 0.00 56.93 57.54 1rfu s PHE 33 Cb 0.00 -2.68 -0.01 0.00 0.51 0.00 0.00 43.02 40.84 1rfu s PHE 33 CO 0.00 -0.14 0.37 -2.00 0.70 0.00 0.00 175.22 174.15 1rfu s GLU 34 N -3.53 3.61 -0.05 0.44 2.56 0.63 -4.26 118.70 118.10 1rfu s GLU 34 Ca 0.57 -0.36 -0.03 0.00 0.00 0.00 0.00 54.97 55.14 1rfu s GLU 34 Cb -0.10 -3.79 -0.04 0.00 2.00 0.00 0.00 34.13 32.20 1rfu s GLU 34 CO 0.23 -0.50 0.12 0.08 -0.56 0.00 0.00 175.26 174.63 1rfu s VAL 35 N 2.04 5.17 -0.23 3.70 1.01 -1.26 -0.83 120.40 129.99 1rfu s VAL 35 Ca 0.12 -0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.02 1rfu s VAL 35 Cb -0.16 -3.32 0.05 0.00 0.00 0.00 0.00 36.38 32.94 1rfu s VAL 35 CO 0.12 0.46 -0.14 -1.81 0.00 0.00 0.00 175.10 173.72 1rfu s ASP 36 N -1.47 3.97 -0.19 3.32 1.11 0.78 -4.92 116.67 119.26 1rfu s ASP 36 Ca 0.21 -1.13 -0.06 0.00 0.18 0.00 0.00 52.55 51.74 1rfu s ASP 36 Cb -0.12 -1.52 -0.03 0.00 1.07 0.00 0.00 42.92 42.31 1rfu s ASP 36 CO 0.11 -0.12 0.04 0.00 1.18 0.00 0.00 175.17 176.37 1rfu s ALA 37 N 1.17 3.22 -0.15 5.23 0.00 -1.26 -0.51 121.76 129.46 1rfu s ALA 37 Ca -0.04 -0.88 0.01 0.00 0.00 0.00 0.00 51.96 51.05 1rfu s ALA 37 Cb -0.18 -1.87 0.00 0.00 0.00 0.00 0.00 23.12 21.08 1rfu s ALA 37 CO -0.08 -0.01 -0.18 0.08 0.00 0.00 0.00 175.76 175.58 1rfu s VAL 38 N 0.74 2.43 -0.44 0.00 1.01 -0.17 -5.00 120.40 118.96 1rfu s VAL 38 Ca 0.02 -0.85 -0.17 0.00 0.00 0.00 0.00 61.98 60.98 1rfu s VAL 38 Cb -0.14 -2.01 0.04 0.00 0.00 0.00 0.00 36.38 34.27 1rfu s VAL 38 CO 0.02 0.53 0.43 0.20 0.00 0.00 0.00 175.10 176.28 1rfu s ASN 39 N 0.87 6.17 0.58 3.32 0.01 -1.25 -1.85 114.94 122.80 1rfu s ASN 39 Ca -0.05 -0.90 0.30 0.00 -0.71 0.00 0.00 52.86 51.50 1rfu s ASN 39 Cb -0.15 -2.21 1.80 0.00 0.41 0.00 0.00 41.25 41.10 1rfu s ASN 39 CO -0.02 -0.62 2.24 0.77 -1.51 0.00 0.00 177.10 177.96 1rfu h SER 40 N 8.76 0.00 -5.03 -1.22 4.64 -1.27 -3.45 113.55 115.98 1rfu h SER 40 Ca -0.27 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.00 1rfu h SER 40 Cb 1.11 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.06 1rfu h SER 40 CO 0.83 0.02 0.05 0.68 -0.87 0.00 0.00 176.83 177.54 1rfu s VAL 41 N -4.55 0.03 -0.24 0.95 -7.23 -1.26 -1.59 120.40 106.52 1rfu s VAL 41 Ca -0.05 -0.29 -0.02 0.00 -1.81 0.00 0.00 61.98 59.82 1rfu s VAL 41 Cb 0.15 -1.05 0.07 0.00 0.56 0.00 0.00 36.38 36.11 1rfu s VAL 41 CO 0.55 -0.16 0.04 -1.58 -0.31 0.00 0.00 175.10 173.64 1rfu s GLN 42 N -3.27 0.83 0.35 4.82 0.74 -0.11 -0.48 119.66 122.54 1rfu s GLN 42 Ca -0.01 -0.75 0.09 0.00 0.05 0.00 0.00 55.36 54.74 1rfu s GLN 42 Cb 0.00 -2.14 -0.05 0.00 1.10 0.00 0.00 33.01 31.92 1rfu s GLN 42 CO -0.08 -0.76 0.03 -0.06 -0.55 0.00 0.00 175.29 173.86 1rfu s PHE 43 N 1.70 2.56 0.10 1.67 0.08 -0.01 -0.79 117.98 123.28 1rfu s PHE 43 Ca 0.02 -0.45 -0.20 0.00 0.12 0.00 0.00 56.93 56.42 1rfu s PHE 43 Cb -0.17 -1.53 -0.09 0.00 -0.57 0.00 0.00 43.02 40.66 1rfu s PHE 43 CO -0.14 0.45 1.67 0.66 -0.10 0.00 0.00 175.22 177.76 1rfu h SER 44 N 1.77 0.25 -0.75 1.36 4.64 -1.06 0.17 113.55 119.93 1rfu h SER 44 Ca -0.43 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 60.77 1rfu h SER 44 Cb 1.25 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1rfu h SER 44 CO 0.67 0.30 0.00 -0.46 -0.87 0.00 0.00 176.83 176.47 1rfu n ASN 45 N -4.87 0.00 -4.84 4.97 0.23 -1.26 -1.14 115.26 108.35 1rfu n ASN 45 Ca -0.04 -0.55 -0.37 0.00 -0.53 0.00 0.00 54.58 53.09 1rfu n ASN 45 Cb 0.10 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 37.74 1rfu n ASN 45 CO 0.00 0.00 0.00 -1.38 -0.93 0.00 0.00 177.26 174.95 1rfu s HIS 46 N -4.58 3.69 -0.66 -2.53 -3.43 -1.26 -4.89 115.29 101.64 1rfu s HIS 46 Ca 0.00 1.06 0.00 0.00 -0.80 0.00 0.00 55.06 55.32 1rfu s HIS 46 Cb 0.00 -2.35 0.00 0.00 -1.43 0.00 0.00 32.58 28.80 1rfu s HIS 46 CO 0.00 0.55 0.55 0.25 -2.00 0.00 0.00 174.74 174.09 1rfu n THR 47 N 1.36 0.60 0.25 -5.38 -2.24 -1.26 -0.90 114.28 106.70 1rfu n THR 47 Ca -0.10 0.31 0.13 0.00 -2.27 0.00 0.00 64.05 62.12 1rfu n THR 47 Cb 0.52 -1.31 0.61 0.00 -2.10 0.00 0.00 70.33 68.04 1rfu n THR 47 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1rfu h GLY 48 N 0.00 0.00 -1.80 3.38 0.00 -1.94 -3.43 103.07 99.29 1rfu h GLY 48 Ca 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 1rfu h GLY 48 CO 0.00 0.00 0.39 -0.19 0.00 0.00 0.00 176.54 176.74 1rfu s TYR 49 N -3.81 2.80 0.18 5.60 2.02 -0.08 -4.92 117.35 119.14 1rfu s TYR 49 Ca -0.00 1.54 -0.13 0.00 -0.37 0.00 0.00 57.07 58.10 1rfu s TYR 49 Cb 0.11 -3.11 0.18 0.00 -0.40 0.00 0.00 41.96 38.73 1rfu s TYR 49 CO 0.59 -1.37 1.74 0.77 -1.57 0.00 0.00 175.55 175.71 1rfu h SER 50 N 0.49 0.14 -3.19 2.29 0.02 -1.89 -3.42 113.55 107.99 1rfu h SER 50 Ca -0.47 0.07 -0.65 0.00 -0.84 0.00 0.00 61.79 59.89 1rfu h SER 50 Cb 1.24 0.06 -0.19 0.00 0.14 0.00 0.00 62.40 63.65 1rfu h SER 50 CO 0.56 0.11 -0.82 -1.00 -1.14 0.00 0.00 176.83 174.54 1rfu s HIS 51 N -6.13 2.28 -0.28 3.45 3.76 -1.26 -5.12 115.29 111.98 1rfu s HIS 51 Ca -0.13 -0.36 -0.17 0.00 -0.15 0.00 0.00 55.06 54.25 1rfu s HIS 51 Cb 0.15 -1.13 0.09 0.00 1.11 0.00 0.00 32.58 32.81 1rfu s HIS 51 CO 0.73 0.50 0.76 1.67 -0.85 0.00 0.00 174.74 177.55 1rfu s TRP 52 N -1.70 -0.92 0.21 1.40 1.48 -1.26 -4.88 118.94 113.27 1rfu s TRP 52 Ca 0.21 1.88 0.06 0.00 -1.06 0.00 0.00 56.10 57.18 1rfu s TRP 52 Cb -0.08 0.54 -0.05 0.00 -1.16 0.00 0.00 33.47 32.72 1rfu s TRP 52 CO 0.10 -0.46 -0.09 0.15 -4.06 0.00 0.00 176.95 172.60 1rfu s LYS 53 N 1.44 1.31 0.00 3.25 1.02 -1.26 -4.98 119.74 120.52 1rfu s LYS 53 Ca -0.09 -1.61 0.00 0.00 0.02 0.00 0.00 55.97 54.29 1rfu s LYS 53 Cb -0.05 -0.89 0.00 0.00 -0.52 0.00 0.00 37.83 36.37 1rfu s LYS 53 CO -0.17 0.07 0.00 0.41 -0.92 0.00 0.00 175.35 174.74 1rfu n GLY 54 N -0.38 -1.56 3.49 -3.33 0.00 -1.26 -0.42 105.19 101.71 1rfu n GLY 54 Ca -0.07 -1.30 -0.24 0.00 0.00 0.00 0.00 46.02 44.41 1rfu n GLY 54 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1rfu s GLN 55 N -1.98 1.69 0.12 1.61 0.00 0.03 -4.95 119.66 116.17 1rfu s GLN 55 Ca 0.00 -1.86 0.05 0.00 -0.00 0.00 0.00 55.36 53.56 1rfu s GLN 55 Cb 0.00 -1.47 -0.04 0.00 0.00 0.00 0.00 33.01 31.50 1rfu s GLN 55 CO 0.00 0.11 -0.13 0.08 0.00 0.00 0.00 175.29 175.35 1rfu s VAL 56 N -2.77 1.27 0.09 3.63 1.01 -1.26 -0.93 120.40 121.44 1rfu s VAL 56 Ca 0.31 -1.76 0.03 0.00 0.00 0.00 0.00 61.98 60.55 1rfu s VAL 56 Cb 0.02 -1.56 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 1rfu s VAL 56 CO 0.14 -0.48 0.11 -0.76 0.00 0.00 0.00 175.10 174.11 1rfu s LEU 57 N -2.57 3.90 0.37 3.92 1.02 -0.62 -4.98 118.68 119.71 1rfu s LEU 57 Ca 0.10 0.02 0.09 0.00 0.02 0.00 0.00 54.13 54.35 1rfu s LEU 57 Cb -0.04 -2.55 -0.07 0.00 0.02 0.00 0.00 46.19 43.55 1rfu s LEU 57 CO 0.02 0.16 -0.04 0.54 0.02 0.00 0.00 176.35 177.05 1rfu s ASN 58 N -2.52 3.85 0.35 2.29 2.20 -1.26 -4.80 114.94 115.05 1rfu s ASN 58 Ca 0.30 -1.23 0.19 0.00 -0.94 0.00 0.00 52.86 51.18 1rfu s ASN 58 Cb -0.12 -0.39 1.24 0.00 -2.00 0.00 0.00 41.25 39.98 1rfu s ASN 58 CO 0.23 -0.30 1.49 -1.54 -2.94 0.00 0.00 177.10 174.04 1rfu n SER 59 N -0.89 0.30 -0.09 3.54 3.41 -1.26 0.80 113.62 119.43 1rfu n SER 59 Ca -0.05 1.57 -0.13 0.00 -0.26 0.00 0.00 58.87 60.00 1rfu n SER 59 Cb 0.65 -0.75 -0.04 0.00 -0.26 0.00 0.00 64.21 63.80 1rfu n SER 59 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1rfu h ASP 60 N 0.00 0.65 -0.42 4.04 3.45 -1.97 0.70 116.42 122.86 1rfu h ASP 60 Ca 0.79 -0.45 -0.02 0.00 0.43 0.00 0.00 57.03 57.78 1rfu h ASP 60 Cb 2.06 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 40.62 1rfu h ASP 60 CO -0.74 0.96 0.19 -0.33 -1.57 0.00 0.00 179.24 177.75 1rfu h GLU 61 N 0.35 0.67 -0.24 3.56 5.08 0.01 0.19 114.58 124.19 1rfu h GLU 61 Ca 0.05 -0.09 -0.19 0.00 -1.00 0.00 0.00 59.36 58.13 1rfu h GLU 61 Cb 0.75 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.87 1rfu h GLU 61 CO 0.05 0.56 -0.60 1.25 -1.00 0.00 0.00 179.01 179.27 1rfu h LEU 62 N 0.67 0.91 -0.12 1.33 5.85 -0.93 -3.09 115.31 119.92 1rfu h LEU 62 Ca 0.16 -0.51 0.03 0.00 0.84 0.00 0.00 57.88 58.40 1rfu h LEU 62 Cb 0.13 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 1rfu h LEU 62 CO -0.02 1.30 -0.04 -0.61 -0.34 0.00 0.00 178.44 178.74 1rfu h GLN 63 N 0.61 -0.02 -0.64 1.25 5.75 0.16 -0.89 115.11 121.33 1rfu h GLN 63 Ca -0.00 0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.58 1rfu h GLN 63 Cb 1.20 0.00 -0.10 0.00 1.07 0.00 0.00 27.48 29.65 1rfu h GLN 63 CO 0.13 -0.01 -0.52 1.49 -2.65 0.00 0.00 178.83 177.26 1rfu h GLU 64 N -0.02 -0.22 0.08 1.69 4.81 -0.99 0.91 114.58 120.85 1rfu h GLU 64 Ca 0.06 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1rfu h GLU 64 Cb 0.11 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 1rfu h GLU 64 CO -0.14 -0.15 -0.19 -0.07 -0.73 0.00 0.00 179.01 177.74 1rfu h LEU 65 N -0.23 -0.53 -0.30 1.64 3.38 -1.40 0.29 115.31 118.16 1rfu h LEU 65 Ca 0.14 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.20 1rfu h LEU 65 Cb 0.54 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 1rfu h LEU 65 CO -0.73 -0.27 0.13 0.22 0.09 0.00 0.00 178.44 177.88 1rfu h TYR 66 N -0.35 0.24 -0.67 1.13 3.20 -0.19 0.27 116.97 120.60 1rfu h TYR 66 Ca 0.03 0.01 0.08 0.00 3.14 0.00 0.00 58.73 61.99 1rfu h TYR 66 Cb 0.38 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.52 1rfu h TYR 66 CO -0.20 0.12 0.34 -0.44 -1.64 0.00 0.00 178.16 176.35 1rfu h ASP 67 N 0.28 0.47 -0.04 -2.11 5.19 0.12 1.27 116.42 121.60 1rfu h ASP 67 Ca 0.13 0.05 0.03 0.00 -0.62 0.00 0.00 57.03 56.62 1rfu h ASP 67 Cb 0.07 -0.04 -0.06 0.00 0.18 0.00 0.00 39.33 39.48 1rfu h ASP 67 CO -0.11 0.29 -0.44 1.23 -3.12 0.00 0.00 179.24 177.09 1rfu h GLY 68 N 0.61 -0.80 1.01 2.75 0.00 0.15 0.84 103.07 107.62 1rfu h GLY 68 Ca 0.32 0.54 0.01 0.00 0.00 0.00 0.00 47.33 48.19 1rfu h GLY 68 CO -0.23 -0.24 0.44 1.41 0.00 0.00 0.00 176.54 177.92 1rfu h LEU 69 N -0.56 0.77 0.15 3.11 3.38 -0.12 -2.68 115.31 119.36 1rfu h LEU 69 Ca 0.05 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1rfu h LEU 69 Cb 0.66 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1rfu h LEU 69 CO -0.35 0.56 -0.31 0.50 0.09 0.00 0.00 178.44 178.92 1rfu h LYS 70 N 0.91 -0.49 -1.27 1.13 1.63 0.31 -1.36 116.57 117.43 1rfu h LYS 70 Ca 0.25 0.03 0.42 0.00 -0.85 0.00 0.00 60.65 60.49 1rfu h LYS 70 Cb -0.10 0.11 -0.13 0.00 -0.60 0.00 0.00 32.23 31.51 1rfu h LYS 70 CO -0.05 -0.33 0.81 -0.07 -3.45 0.00 0.00 179.45 176.36 1rfu h LEU 71 N -0.51 0.27 -0.66 5.20 3.38 0.88 0.96 115.31 124.84 1rfu h LEU 71 Ca -0.02 0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1rfu h LEU 71 Cb 0.48 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1rfu h LEU 71 CO -0.12 -0.17 -0.19 0.59 0.09 0.00 0.00 178.44 178.64 1rfu n ASN 72 N -4.73 1.21 -1.81 -0.43 3.02 -0.86 -4.95 115.26 106.72 1rfu n ASN 72 Ca 0.36 -1.09 -0.12 0.00 -0.03 0.00 0.00 54.58 53.70 1rfu n ASN 72 Cb 1.36 0.10 0.03 0.00 -0.61 0.00 0.00 39.78 40.66 1rfu n ASN 72 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1rfu n HIS 73 N -0.38 -1.16 -0.80 3.10 8.25 0.33 -4.91 115.22 119.65 1rfu n HIS 73 Ca 0.14 0.35 0.08 0.00 -0.26 0.00 0.00 57.72 58.02 1rfu n HIS 73 Cb 0.36 -2.91 0.12 0.00 1.12 0.00 0.00 29.99 28.68 1rfu n HIS 73 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1rfu n VAL 74 N -3.87 1.70 -2.14 1.59 0.24 -0.90 -4.81 118.33 110.14 1rfu n VAL 74 Ca -0.04 -1.92 -0.42 0.00 -2.04 0.00 0.00 64.34 59.92 1rfu n VAL 74 Cb 0.55 -0.06 0.00 0.00 -1.47 0.00 0.00 33.84 32.87 1rfu n VAL 74 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1rfu n ASN 75 N -1.11 5.61 -3.70 -1.34 6.94 -1.25 -4.84 115.26 115.57 1rfu n ASN 75 Ca 0.13 -3.05 -0.24 0.00 -0.02 0.00 0.00 54.58 51.39 1rfu n ASN 75 Cb 0.57 -1.49 -0.17 0.00 -2.36 0.00 0.00 39.78 36.33 1rfu n ASN 75 CO 0.00 0.00 0.00 -1.10 -1.03 0.00 0.00 177.26 175.13 1rfu s GLN 76 N 0.58 0.35 0.42 -3.83 -0.21 -1.26 -5.00 119.66 110.70 1rfu s GLN 76 Ca 0.44 0.01 0.04 0.00 0.02 0.00 0.00 55.36 55.87 1rfu s GLN 76 Cb 0.12 -1.32 -0.04 0.00 1.00 0.00 0.00 33.01 32.77 1rfu s GLN 76 CO -0.03 -0.47 0.05 0.71 -2.12 0.00 0.00 175.29 173.43 1rfu s TYR 77 N 2.03 2.04 -0.03 0.91 1.51 -1.26 -4.94 117.35 117.61 1rfu s TYR 77 Ca 0.03 -0.96 0.03 0.00 -1.01 0.00 0.00 57.07 55.16 1rfu s TYR 77 Cb -0.14 -1.48 -0.04 0.00 -0.11 0.00 0.00 41.96 40.19 1rfu s TYR 77 CO -0.06 0.12 0.02 -0.25 -1.11 0.00 0.00 175.55 174.27 1rfu n ASP 78 N -1.06 4.19 -4.13 2.29 8.00 -0.23 -4.82 116.55 120.79 1rfu n ASP 78 Ca -0.09 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.26 1rfu n ASP 78 Cb 0.66 0.70 -0.10 0.00 -0.02 0.00 0.00 41.12 42.36 1rfu n ASP 78 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1rfu s TYR 79 N -2.11 1.41 -0.11 1.24 1.51 -0.87 -1.90 117.35 116.51 1rfu s TYR 79 Ca -0.02 -1.34 -0.06 0.00 -1.01 0.00 0.00 57.07 54.65 1rfu s TYR 79 Cb 0.01 -0.74 0.05 0.00 -0.11 0.00 0.00 41.96 41.18 1rfu s TYR 79 CO 0.14 -0.54 0.26 0.08 -1.11 0.00 0.00 175.55 174.38 1rfu s VAL 80 N -3.87 -0.07 -0.08 0.71 1.01 -0.30 -2.64 120.40 115.15 1rfu s VAL 80 Ca 0.38 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.53 1rfu s VAL 80 Cb 0.07 -0.41 0.02 0.00 0.00 0.00 0.00 36.38 36.05 1rfu s VAL 80 CO 0.15 0.06 -0.12 -0.22 0.00 0.00 0.00 175.10 174.97 1rfu s LEU 81 N 1.37 1.60 0.03 3.92 2.96 -0.90 0.11 118.68 127.77 1rfu s LEU 81 Ca -0.08 -0.34 0.03 0.00 -0.22 0.00 0.00 54.13 53.52 1rfu s LEU 81 Cb -0.10 -0.91 -0.02 0.00 0.50 0.00 0.00 46.19 45.66 1rfu s LEU 81 CO -0.09 0.01 -0.10 0.42 -1.32 0.00 0.00 176.35 175.27 1rfu s THR 82 N 0.91 0.79 0.00 3.68 -4.23 -1.12 0.47 115.64 116.14 1rfu s THR 82 Ca -0.10 -0.82 0.00 0.00 -1.18 0.00 0.00 61.69 59.59 1rfu s THR 82 Cb -0.15 -0.74 0.00 0.00 1.34 0.00 0.00 72.50 72.95 1rfu s THR 82 CO 0.01 -0.07 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 1rfu n GLY 83 N 2.06 4.74 3.70 3.99 0.00 -0.44 -1.82 105.19 117.41 1rfu n GLY 83 Ca -0.18 -0.59 -0.62 0.00 0.00 0.00 0.00 46.02 44.63 1rfu n GLY 83 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1rfu n TYR 84 N 0.00 1.70 -3.73 1.61 9.36 -1.26 -4.75 117.16 120.09 1rfu n TYR 84 Ca 0.00 0.90 -0.14 0.00 3.32 0.00 0.00 57.90 61.99 1rfu n TYR 84 Cb 0.00 -2.29 -0.08 0.00 -0.63 0.00 0.00 39.34 36.33 1rfu n TYR 84 CO 0.00 0.00 0.00 0.99 0.22 0.00 0.00 176.86 178.07 1rfu s THR 85 N 2.63 0.05 0.00 2.97 2.01 -1.26 -3.43 115.64 118.61 1rfu s THR 85 Ca 1.00 -0.43 0.00 0.00 0.31 0.00 0.00 61.69 62.56 1rfu s THR 85 Cb -1.29 -0.69 0.00 0.00 0.01 0.00 0.00 72.50 70.52 1rfu s THR 85 CO 0.71 -0.24 0.48 0.54 -0.69 0.00 0.00 174.62 175.42 1rfu n ARG 86 N 1.15 -0.92 -3.83 4.92 1.74 -1.26 -4.87 116.66 113.59 1rfu n ARG 86 Ca -0.21 -0.48 -0.36 0.00 -0.77 0.00 0.00 57.85 56.02 1rfu n ARG 86 Cb 0.56 -0.98 -0.13 0.00 -1.02 0.00 0.00 32.46 30.90 1rfu n ARG 86 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1rfu s ASP 87 N -0.01 4.94 0.23 0.55 3.68 -1.26 -4.66 116.67 120.14 1rfu s ASP 87 Ca 0.00 -0.93 -0.07 0.00 2.13 0.00 0.00 52.55 53.68 1rfu s ASP 87 Cb 0.00 -1.80 0.28 0.00 -1.45 0.00 0.00 42.92 39.95 1rfu s ASP 87 CO 0.00 -0.22 1.86 0.50 0.13 0.00 0.00 175.17 177.45 1rfu h LYS 88 N 8.14 0.98 -0.25 4.34 3.64 -1.93 0.93 116.57 132.42 1rfu h LYS 88 Ca -0.28 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.06 1rfu h LYS 88 Cb 1.10 -0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 32.67 1rfu h LYS 88 CO 0.58 0.65 0.09 0.77 -2.27 0.00 0.00 179.45 179.28 1rfu h SER 89 N 1.01 0.11 0.05 4.20 0.02 -1.96 0.31 113.55 117.29 1rfu h SER 89 Ca 0.35 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.35 1rfu h SER 89 Cb 0.07 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 62.58 1rfu h SER 89 CO -0.14 0.10 -0.26 0.15 -1.14 0.00 0.00 176.83 175.54 1rfu h PHE 90 N 0.21 -0.70 -0.06 3.45 3.57 -1.62 -1.66 116.94 120.13 1rfu h PHE 90 Ca 0.11 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.67 1rfu h PHE 90 Cb 0.07 0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 1rfu h PHE 90 CO -0.12 -0.36 -0.20 1.25 -2.23 0.00 0.00 178.31 176.65 1rfu h LEU 91 N -0.43 -0.61 -0.18 0.59 5.85 -0.37 -1.36 115.31 118.79 1rfu h LEU 91 Ca 0.05 0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.91 1rfu h LEU 91 Cb 0.49 0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.71 1rfu h LEU 91 CO -0.19 -0.26 -0.38 0.00 -0.34 0.00 0.00 178.44 177.27 1rfu h ALA 92 N 0.65 -0.46 -0.97 1.25 0.00 -0.71 -0.64 119.26 118.38 1rfu h ALA 92 Ca 0.08 0.02 0.12 0.00 0.00 0.00 0.00 54.91 55.13 1rfu h ALA 92 Cb 0.40 0.73 -0.09 0.00 0.00 0.00 0.00 17.79 18.83 1rfu h ALA 92 CO -0.23 -0.85 0.60 1.98 0.00 0.00 0.00 179.25 180.74 1rfu h MET 93 N -0.42 0.90 -0.65 0.00 1.85 -1.09 0.18 114.93 115.70 1rfu h MET 93 Ca 0.10 -0.05 0.12 0.00 -0.61 0.00 0.00 59.70 59.26 1rfu h MET 93 Cb 0.59 -0.20 -0.09 0.00 0.43 0.00 0.00 31.60 32.32 1rfu h MET 93 CO -0.41 0.59 0.16 0.28 -0.40 0.00 0.00 176.91 177.13 1rfu h VAL 94 N 0.93 0.62 0.44 -5.77 2.07 0.03 1.00 116.25 115.57 1rfu h VAL 94 Ca 0.49 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.90 1rfu h VAL 94 Cb 0.52 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1rfu h VAL 94 CO -0.28 0.05 -0.42 0.58 0.02 0.00 0.00 177.57 177.53 1rfu h VAL 95 N 0.29 0.16 -0.78 2.57 2.07 -0.55 0.29 116.25 120.30 1rfu h VAL 95 Ca 0.35 0.00 0.18 0.00 0.82 0.00 0.00 66.70 68.05 1rfu h VAL 95 Cb 0.53 0.16 -0.13 0.00 -1.52 0.00 0.00 31.29 30.33 1rfu h VAL 95 CO -0.42 0.00 0.06 0.44 0.02 0.00 0.00 177.57 177.67 1rfu h ASP 96 N -0.87 -0.26 -0.09 0.57 3.45 -0.82 0.24 116.42 118.64 1rfu h ASP 96 Ca -0.04 0.19 0.02 0.00 0.43 0.00 0.00 57.03 57.63 1rfu h ASP 96 Cb 0.76 0.32 -0.02 0.00 -0.56 0.00 0.00 39.33 39.83 1rfu h ASP 96 CO -0.05 -0.17 -0.05 0.40 -1.57 0.00 0.00 179.24 177.80 1rfu h ILE 97 N 0.13 0.84 -0.43 0.35 2.04 0.10 -0.45 117.51 120.09 1rfu h ILE 97 Ca 0.44 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.39 1rfu h ILE 97 Cb 0.81 0.84 -0.07 0.00 -0.74 0.00 0.00 36.82 37.66 1rfu h ILE 97 CO -0.66 0.00 -0.04 0.58 0.00 0.00 0.00 178.15 178.03 1rfu h VAL 98 N -0.05 0.63 -0.16 1.67 2.07 0.26 -1.68 116.25 119.00 1rfu h VAL 98 Ca 0.05 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 1rfu h VAL 98 Cb 0.13 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1rfu h VAL 98 CO -0.12 0.01 0.09 1.56 0.02 0.00 0.00 177.57 179.14 1rfu h GLN 99 N 0.07 0.23 -0.96 1.57 4.20 -0.21 0.15 115.11 120.14 1rfu h GLN 99 Ca 0.21 -0.03 0.16 0.00 0.06 0.00 0.00 58.65 59.05 1rfu h GLN 99 Cb 0.31 -0.05 -0.09 0.00 0.30 0.00 0.00 27.48 27.96 1rfu h GLN 99 CO -0.39 0.23 0.61 1.49 -0.67 0.00 0.00 178.83 180.10 1rfu h GLU 100 N 0.17 0.75 -0.27 1.46 4.81 -0.62 -0.19 114.58 120.69 1rfu h GLU 100 Ca 0.06 -0.05 -0.16 0.00 -0.13 0.00 0.00 59.36 59.08 1rfu h GLU 100 Cb 0.06 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.28 1rfu h GLU 100 CO -0.01 0.50 -0.48 -0.07 -0.73 0.00 0.00 179.01 178.22 1rfu h LEU 101 N 0.77 0.88 -1.94 1.64 3.38 -0.52 -2.61 115.31 116.92 1rfu h LEU 101 Ca 0.51 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1rfu h LEU 101 Cb 0.76 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1rfu h LEU 101 CO -0.28 1.24 -0.05 0.11 0.09 0.00 0.00 178.44 179.56 1rfu h LYS 102 N 0.55 0.00 0.15 1.13 1.57 0.96 0.26 116.57 121.19 1rfu h LYS 102 Ca 0.02 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1rfu h LYS 102 Cb 1.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.39 1rfu h LYS 102 CO 0.11 0.05 -0.07 1.96 -0.57 0.00 0.00 179.45 180.92 1rfu h GLN 103 N 0.00 -0.20 -0.62 3.15 7.50 -1.00 -2.14 115.11 121.80 1rfu h GLN 103 Ca -0.00 0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.16 1rfu h GLN 103 Cb 0.09 0.05 -0.03 0.00 0.05 0.00 0.00 27.48 27.63 1rfu h GLN 103 CO 0.01 0.14 0.39 1.96 -1.50 0.00 0.00 178.83 179.83 1rfu h GLN 104 N -0.57 0.83 -3.97 1.46 4.20 -1.02 -3.37 115.11 112.67 1rfu h GLN 104 Ca -0.02 -0.06 -0.61 0.00 0.06 0.00 0.00 58.65 58.02 1rfu h GLN 104 Cb 0.43 -0.18 -0.40 0.00 0.30 0.00 0.00 27.48 27.63 1rfu h GLN 104 CO 0.03 0.57 -0.75 1.21 -0.67 0.00 0.00 178.83 179.23 1rfu s ASN 105 N -5.81 4.23 0.55 1.46 3.04 0.87 -4.97 114.94 114.31 1rfu s ASN 105 Ca -0.13 -1.75 0.33 0.00 0.04 0.00 0.00 52.86 51.35 1rfu s ASN 105 Cb 0.13 -1.12 1.55 0.00 -1.54 0.00 0.00 41.25 40.28 1rfu s ASN 105 CO 0.76 -0.39 2.07 -0.65 -3.04 0.00 0.00 177.10 175.85 1rfu h PRO 106 N 7.93 0.00 -0.00 0.43 0.11 -1.57 -2.17 132.00 136.73 1rfu h PRO 106 Ca -0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.00 1rfu h PRO 106 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 1rfu h PRO 106 CO 0.48 0.06 -0.07 0.54 -0.21 0.00 0.00 178.00 178.81 1rfu n ARG 107 N -3.29 0.87 -1.89 1.05 1.74 -1.26 -4.91 116.66 108.96 1rfu n ARG 107 Ca -0.01 -0.27 -0.39 0.00 -0.77 0.00 0.00 57.85 56.41 1rfu n ARG 107 Cb 0.25 -1.49 0.01 0.00 -1.02 0.00 0.00 32.46 30.21 1rfu n ARG 107 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1rfu s LEU 108 N -2.32 4.09 -0.09 0.55 0.20 -0.82 -4.98 118.68 115.32 1rfu s LEU 108 Ca 0.34 2.78 0.03 0.00 0.69 0.00 0.00 54.13 57.97 1rfu s LEU 108 Cb 0.21 -4.00 -0.02 0.00 -0.43 0.00 0.00 46.19 41.95 1rfu s LEU 108 CO 0.43 -1.14 -0.17 -0.69 -0.29 0.00 0.00 176.35 174.49 1rfu s VAL 109 N -1.26 2.71 -0.32 1.68 1.01 -0.80 -5.00 120.40 118.43 1rfu s VAL 109 Ca 0.62 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.75 1rfu s VAL 109 Cb -0.41 -2.07 0.05 0.00 0.00 0.00 0.00 36.38 33.95 1rfu s VAL 109 CO 0.51 0.56 0.04 -0.47 0.00 0.00 0.00 175.10 175.74 1rfu s TYR 110 N -0.07 3.29 -0.22 5.22 6.04 -1.26 -1.15 117.35 129.19 1rfu s TYR 110 Ca -0.04 -1.81 -0.20 0.00 0.04 0.00 0.00 57.07 55.07 1rfu s TYR 110 Cb -0.14 -2.23 -0.03 0.00 -1.04 0.00 0.00 41.96 38.52 1rfu s TYR 110 CO 0.04 -0.80 0.58 0.08 -1.54 0.00 0.00 175.55 173.92 1rfu s VAL 111 N 1.28 5.04 -0.19 3.14 1.01 0.12 -1.54 120.40 129.26 1rfu s VAL 111 Ca -0.03 1.07 -0.00 0.00 0.00 0.00 0.00 61.98 63.02 1rfu s VAL 111 Cb -0.20 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.29 1rfu s VAL 111 CO -0.00 0.11 -0.16 0.00 0.00 0.00 0.00 175.10 175.05 1rfu s ASP 113 N 1.33 6.11 -0.93 0.00 3.68 -0.76 -2.33 116.67 123.78 1rfu s ASP 113 Ca 0.05 -1.39 -0.14 0.00 2.13 0.00 0.00 52.55 53.20 1rfu s ASP 113 Cb -0.13 -2.17 -0.09 0.00 -1.45 0.00 0.00 42.92 39.07 1rfu s ASP 113 CO -0.10 -0.66 2.07 -0.81 0.13 0.00 0.00 175.17 175.80 1rfu n PRO 114 N 5.19 1.95 -2.07 4.34 -0.04 -1.26 -4.37 135.00 138.73 1rfu n PRO 114 Ca -0.12 -1.76 -0.42 0.00 -0.04 0.00 0.00 63.50 61.16 1rfu n PRO 114 Cb 0.43 -2.75 -0.03 0.00 -0.04 0.00 0.00 33.50 31.12 1rfu n PRO 114 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1rfu s VAL 115 N 4.06 3.53 0.00 0.52 1.01 -1.26 -4.72 120.40 123.54 1rfu s VAL 115 Ca 0.49 0.51 0.00 0.00 0.00 0.00 0.00 61.98 62.98 1rfu s VAL 115 Cb 0.13 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.69 1rfu s VAL 115 CO 0.03 -0.58 0.00 0.23 0.00 0.00 0.00 175.10 174.78 1rfu n MET 116 N 8.52 0.00 -2.13 2.72 2.81 -1.26 -4.71 117.12 123.07 1rfu n MET 116 Ca 0.21 0.00 -0.04 0.00 -1.81 0.00 0.00 57.70 56.06 1rfu n MET 116 Cb 0.48 -0.44 0.00 0.00 -0.71 0.00 0.00 33.22 32.56 1rfu n MET 116 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rfu n GLY 117 N 1.91 1.99 3.26 3.03 0.00 -1.26 0.90 105.19 115.01 1rfu n GLY 117 Ca 0.00 -1.21 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 1rfu n GLY 117 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rfu s ASP 118 N -1.75 2.83 -0.94 1.61 2.15 -1.01 -4.72 116.67 114.84 1rfu s ASP 118 Ca 0.07 -0.45 -0.02 0.00 0.43 0.00 0.00 52.55 52.58 1rfu s ASP 118 Cb -0.01 -0.54 0.29 0.00 -0.30 0.00 0.00 42.92 42.36 1rfu s ASP 118 CO 0.05 0.26 2.04 0.00 -0.17 0.00 0.00 175.17 177.35 1rfu n GLN 119 N 2.73 4.06 -4.07 4.34 10.64 -1.26 -2.99 117.38 130.83 1rfu n GLN 119 Ca -0.17 -3.91 -0.29 0.00 -1.83 0.00 0.00 57.00 50.81 1rfu n GLN 119 Cb 0.52 -2.38 -0.06 0.00 -0.86 0.00 0.00 30.24 27.46 1rfu n GLN 119 CO 0.00 0.00 0.00 -0.98 -1.83 0.00 0.00 177.06 174.25 1rfu s ARG 120 N -3.72 2.86 -1.27 2.61 1.70 -1.26 -4.56 118.95 115.31 1rfu s ARG 120 Ca 0.47 -0.77 -0.06 0.00 -0.47 0.00 0.00 55.73 54.91 1rfu s ARG 120 Cb 0.30 -2.68 0.01 0.00 -0.57 0.00 0.00 34.95 32.01 1rfu s ARG 120 CO -0.25 0.53 0.75 0.09 -1.08 0.00 0.00 175.30 175.35 1rfu n ASN 121 N 0.18 -5.64 0.00 -2.89 4.13 -1.26 -4.43 115.26 105.35 1rfu n ASN 121 Ca -0.09 -0.34 0.00 0.00 1.68 0.00 0.00 54.58 55.83 1rfu n ASN 121 Cb 0.53 -4.37 0.00 0.00 -1.54 0.00 0.00 39.78 34.39 1rfu n ASN 121 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1rfu n GLY 122 N -1.59 0.87 3.91 7.41 0.00 -1.26 -4.95 105.19 109.58 1rfu n GLY 122 Ca -0.05 -1.08 -0.30 0.00 0.00 0.00 0.00 46.02 44.59 1rfu n GLY 122 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1rfu s GLU 123 N 0.00 3.53 0.00 1.61 -1.05 -1.26 -4.92 118.70 116.61 1rfu s GLU 123 Ca 0.00 -0.27 0.00 0.00 -0.15 0.00 0.00 54.97 54.55 1rfu s GLU 123 Cb 0.00 -2.91 0.00 0.00 -0.44 0.00 0.00 34.13 30.78 1rfu s GLU 123 CO 0.00 0.50 0.00 0.41 0.95 0.00 0.00 175.26 177.12 1rfu n GLY 124 N -0.02 3.04 3.18 -3.83 0.00 -1.26 -4.66 105.19 101.65 1rfu n GLY 124 Ca -0.04 -2.10 -0.12 0.00 0.00 0.00 0.00 46.02 43.76 1rfu n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rfu s ALA 125 N -2.00 -0.58 0.46 4.61 0.00 -1.16 -5.02 121.76 118.07 1rfu s ALA 125 Ca 0.00 0.13 -0.22 0.00 0.00 0.00 0.00 51.96 51.87 1rfu s ALA 125 Cb 0.00 0.08 -0.08 0.00 0.00 0.00 0.00 23.12 23.12 1rfu s ALA 125 CO 0.00 -0.23 1.08 -1.64 0.00 0.00 0.00 175.76 174.97 1rfu s MET 126 N -1.32 3.84 -0.30 0.00 -1.94 -1.26 -2.40 119.30 115.93 1rfu s MET 126 Ca -0.14 1.53 0.09 0.00 -1.71 0.00 0.00 55.69 55.46 1rfu s MET 126 Cb -0.06 -2.29 0.52 0.00 2.01 0.00 0.00 34.83 35.02 1rfu s MET 126 CO 0.03 -0.42 1.50 2.48 -0.01 0.00 0.00 175.02 178.60 1rfu n TYR 127 N -0.63 1.24 -3.90 -0.03 0.18 0.26 -4.89 117.16 109.39 1rfu n TYR 127 Ca 0.08 -1.56 -0.09 0.00 1.88 0.00 0.00 57.90 58.21 1rfu n TYR 127 Cb 0.50 -0.52 -0.08 0.00 -0.38 0.00 0.00 39.34 38.87 1rfu n TYR 127 CO 0.00 0.00 0.00 0.14 -2.08 0.00 0.00 176.86 174.92 1rfu s VAL 128 N -3.22 0.15 0.47 -3.48 -7.23 -1.15 -4.97 120.40 100.97 1rfu s VAL 128 Ca 0.45 -1.22 -0.23 0.00 -1.81 0.00 0.00 61.98 59.17 1rfu s VAL 128 Cb 0.41 -1.23 -0.08 0.00 0.56 0.00 0.00 36.38 36.03 1rfu s VAL 128 CO 0.01 -0.68 1.17 -2.65 -0.31 0.00 0.00 175.10 172.65 1rfu n PRO 129 N 0.21 1.58 0.08 4.82 -0.02 -1.26 -4.88 135.00 135.52 1rfu n PRO 129 Ca -0.16 0.57 0.06 0.00 -2.02 0.00 0.00 63.50 61.95 1rfu n PRO 129 Cb 0.61 -2.29 0.50 0.00 -0.02 0.00 0.00 33.50 32.30 1rfu n PRO 129 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1rfu h ASP 130 N 1.58 0.30 0.00 2.55 5.19 -1.97 -2.97 116.42 121.10 1rfu h ASP 130 Ca -0.48 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 55.93 1rfu h ASP 130 Cb 1.32 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 40.75 1rfu h ASP 130 CO 0.57 0.22 0.03 -0.90 -3.12 0.00 0.00 179.24 176.03 1rfu n ASP 131 N -4.49 0.00 -0.01 6.45 5.68 -1.26 -0.99 116.55 121.92 1rfu n ASP 131 Ca 0.02 0.15 -0.06 0.00 -0.50 0.00 0.00 54.79 54.41 1rfu n ASP 131 Cb 0.10 -0.15 -0.12 0.00 -1.14 0.00 0.00 41.12 39.81 1rfu n ASP 131 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 1rfu n LEU 132 N -1.11 0.81 0.03 -2.12 4.77 -1.12 -3.95 117.00 114.32 1rfu n LEU 132 Ca 0.00 0.38 -0.11 0.00 -0.03 0.00 0.00 56.01 56.25 1rfu n LEU 132 Cb 0.03 0.15 -0.04 0.00 -2.33 0.00 0.00 43.42 41.23 1rfu n LEU 132 CO 0.00 0.31 0.69 0.25 -1.33 0.00 0.00 177.39 177.31 1rfu h LEU 133 N 0.00 -0.76 -0.30 2.23 5.85 -1.30 0.34 115.31 121.38 1rfu h LEU 133 Ca -0.26 0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.64 1rfu h LEU 133 Cb 1.87 0.32 -0.06 0.00 0.37 0.00 0.00 40.66 43.16 1rfu h LEU 133 CO 0.06 -0.31 -0.08 1.55 -0.34 0.00 0.00 178.44 179.33 1rfu h PRO 134 N -0.36 -0.01 -0.45 5.25 0.13 -1.73 0.40 132.00 135.24 1rfu h PRO 134 Ca 0.08 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.24 1rfu h PRO 134 Cb 0.47 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.56 1rfu h PRO 134 CO -0.26 -0.00 0.24 0.28 -0.23 0.00 0.00 178.00 178.02 1rfu h VAL 135 N -0.01 0.99 -0.60 1.56 2.07 -1.48 0.51 116.25 119.28 1rfu h VAL 135 Ca 0.14 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 1rfu h VAL 135 Cb 0.23 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1rfu h VAL 135 CO -0.31 0.09 0.23 1.88 0.02 0.00 0.00 177.57 179.47 1rfu h TYR 136 N 0.47 0.93 -0.33 1.57 -1.99 0.11 0.77 116.97 118.50 1rfu h TYR 136 Ca 0.19 -0.08 -0.10 0.00 2.00 0.00 0.00 58.73 60.74 1rfu h TYR 136 Cb 0.08 -0.28 -0.01 0.00 2.00 0.00 0.00 36.73 38.52 1rfu h TYR 136 CO -0.09 0.75 -0.22 -0.09 -0.00 0.00 0.00 178.16 178.51 1rfu h ARG 137 N 0.84 0.64 0.00 4.88 2.43 0.83 -0.78 114.38 123.22 1rfu h ARG 137 Ca 0.20 -0.24 -0.16 0.00 -0.81 0.00 0.00 59.98 58.97 1rfu h ARG 137 Cb 0.23 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.71 1rfu h ARG 137 CO -0.01 0.81 -1.77 0.39 -1.51 0.00 0.00 179.97 177.88 1rfu n GLU 138 N -4.12 1.51 -0.06 0.20 1.02 0.17 -4.63 120.64 114.72 1rfu n GLU 138 Ca 0.00 -0.04 -0.07 0.00 -0.02 0.00 0.00 57.16 57.03 1rfu n GLU 138 Cb 0.41 -1.32 -0.08 0.00 -0.02 0.00 0.00 31.44 30.44 1rfu n GLU 138 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1rfu n LYS 139 N -2.31 1.61 -0.06 3.49 4.76 0.18 -4.66 118.16 121.17 1rfu n LYS 139 Ca -0.15 0.02 -0.03 0.00 -2.87 0.00 0.00 58.31 55.28 1rfu n LYS 139 Cb 0.74 -1.28 -0.01 0.00 -1.84 0.00 0.00 35.03 32.63 1rfu n LYS 139 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1rfu h VAL 140 N 0.00 0.03 -1.00 -0.18 2.07 -1.22 -3.37 116.25 112.58 1rfu h VAL 140 Ca -0.30 -1.03 0.22 0.00 0.82 0.00 0.00 66.70 66.41 1rfu h VAL 140 Cb 1.62 0.05 -0.10 0.00 -1.52 0.00 0.00 31.29 31.34 1rfu h VAL 140 CO -0.00 0.01 0.62 0.58 0.02 0.00 0.00 177.57 178.80 1rfu h VAL 141 N -1.00 0.63 -0.53 2.57 2.07 -1.40 -1.46 116.25 117.13 1rfu h VAL 141 Ca -0.00 -0.20 0.10 0.00 0.82 0.00 0.00 66.70 67.42 1rfu h VAL 141 Cb 0.34 -0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 30.01 1rfu h VAL 141 CO -0.00 0.11 -0.23 -0.65 0.02 0.00 0.00 177.57 176.81 1rfu h PRO 142 N 0.58 -0.10 -0.02 1.57 0.11 -1.74 -1.79 132.00 130.61 1rfu h PRO 142 Ca 0.58 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.69 1rfu h PRO 142 Cb 1.16 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1rfu h PRO 142 CO -0.34 -0.07 0.00 1.55 -0.21 0.00 0.00 178.00 178.93 1rfu n VAL 143 N -5.42 0.01 -3.20 3.15 3.14 -0.58 -4.32 118.33 111.11 1rfu n VAL 143 Ca 0.04 -0.13 -0.38 0.00 -2.96 0.00 0.00 64.34 60.91 1rfu n VAL 143 Cb 0.33 0.01 -0.06 0.00 -1.06 0.00 0.00 33.84 33.05 1rfu n VAL 143 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1rfu s ALA 144 N -1.99 3.53 -0.16 1.55 0.00 -0.67 -4.85 121.76 119.17 1rfu s ALA 144 Ca 0.41 0.10 0.20 0.00 0.00 0.00 0.00 51.96 52.68 1rfu s ALA 144 Cb 0.21 -2.72 -0.11 0.00 0.00 0.00 0.00 23.12 20.50 1rfu s ALA 144 CO 0.34 0.37 0.83 -0.25 0.00 0.00 0.00 175.76 177.05 1rfu n ASP 145 N 1.41 0.67 -3.68 0.00 8.00 -0.59 -1.50 116.55 120.87 1rfu n ASP 145 Ca -0.07 0.27 -0.10 0.00 0.71 0.00 0.00 54.79 55.60 1rfu n ASP 145 Cb 0.50 0.64 -0.11 0.00 -0.02 0.00 0.00 41.12 42.14 1rfu n ASP 145 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1rfu s ILE 146 N -3.21 -0.28 0.06 0.53 1.01 -1.06 -2.86 121.20 115.40 1rfu s ILE 146 Ca -0.03 0.13 0.09 0.00 0.00 0.00 0.00 60.65 60.84 1rfu s ILE 146 Cb 0.10 -0.62 -0.03 0.00 0.01 0.00 0.00 42.46 41.92 1rfu s ILE 146 CO 0.82 0.06 -0.24 0.27 0.00 0.00 0.00 174.94 175.84 1rfu s ILE 147 N 1.90 2.36 -0.55 2.92 -4.36 -0.93 0.72 121.20 123.26 1rfu s ILE 147 Ca -0.06 -1.41 0.07 0.00 -0.26 0.00 0.00 60.65 58.99 1rfu s ILE 147 Cb -0.10 -1.97 0.30 0.00 1.25 0.00 0.00 42.46 41.95 1rfu s ILE 147 CO -0.12 0.30 0.81 0.35 0.24 0.00 0.00 174.94 176.52 1rfu n THR 148 N 1.53 2.01 -1.63 8.37 -2.24 -0.99 -1.47 114.28 119.86 1rfu n THR 148 Ca -0.17 -5.17 -0.31 0.00 -2.27 0.00 0.00 64.05 56.13 1rfu n THR 148 Cb 0.52 -1.51 0.05 0.00 -2.10 0.00 0.00 70.33 67.30 1rfu n THR 148 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1rfu s PRO 149 N -2.78 2.82 0.28 -0.78 0.04 -0.79 -4.54 135.00 129.25 1rfu s PRO 149 Ca 0.43 0.81 -0.19 0.00 0.04 0.00 0.00 61.00 62.10 1rfu s PRO 149 Cb 0.24 -1.99 -0.09 0.00 0.04 0.00 0.00 34.50 32.70 1rfu s PRO 149 CO -0.09 -1.14 0.76 1.21 0.04 0.00 0.00 177.00 177.78 1rfu s ASN 150 N -3.92 6.98 0.17 6.66 3.04 -1.26 -2.16 114.94 124.45 1rfu s ASN 150 Ca 0.58 1.42 -0.20 0.00 0.04 0.00 0.00 52.86 54.70 1rfu s ASN 150 Cb -0.13 -2.42 0.10 0.00 -1.54 0.00 0.00 41.25 37.25 1rfu s ASN 150 CO 0.54 -0.08 1.62 -0.61 -3.04 0.00 0.00 177.10 175.53 1rfu h GLN 151 N 2.91 -0.16 0.04 0.43 4.15 -1.89 1.34 115.11 121.94 1rfu h GLN 151 Ca -0.48 0.01 0.01 0.00 0.77 0.00 0.00 58.65 58.96 1rfu h GLN 151 Cb 1.19 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.89 1rfu h GLN 151 CO 0.65 -0.10 -0.20 0.35 -1.93 0.00 0.00 178.83 177.59 1rfu h PHE 152 N -0.16 -0.60 -0.66 3.99 3.57 -1.93 0.66 116.94 121.81 1rfu h PHE 152 Ca 0.20 0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.86 1rfu h PHE 152 Cb 0.48 0.25 -0.11 0.00 2.79 0.00 0.00 35.95 39.37 1rfu h PHE 152 CO -0.49 -0.23 0.04 0.93 -2.23 0.00 0.00 178.31 176.33 1rfu h GLU 153 N -0.29 0.14 -0.49 1.11 5.08 -1.60 0.25 114.58 118.79 1rfu h GLU 153 Ca -0.00 -0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.45 1rfu h GLU 153 Cb 0.29 -0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.43 1rfu h GLU 153 CO -0.12 0.09 -0.01 0.00 -1.00 0.00 0.00 179.01 177.98 1rfu h ALA 154 N 1.60 0.45 0.45 3.43 0.00 0.22 0.29 119.26 125.69 1rfu h ALA 154 Ca 0.36 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.40 1rfu h ALA 154 Cb 0.59 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1rfu h ALA 154 CO -0.55 -0.39 -0.28 0.93 0.00 0.00 0.00 179.25 178.96 1rfu h GLU 155 N 0.10 -0.67 -0.99 0.00 5.08 0.11 -1.97 114.58 116.24 1rfu h GLU 155 Ca 0.25 0.05 0.31 0.00 -1.00 0.00 0.00 59.36 58.96 1rfu h GLU 155 Cb 0.37 0.15 -0.15 0.00 0.50 0.00 0.00 28.75 29.63 1rfu h GLU 155 CO -0.42 -0.45 0.54 1.25 -1.00 0.00 0.00 179.01 178.94 1rfu h LEU 156 N -0.70 0.49 0.10 1.33 5.85 0.13 0.39 115.31 122.90 1rfu h LEU 156 Ca -0.05 0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1rfu h LEU 156 Cb 0.58 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.75 1rfu h LEU 156 CO 0.04 -0.11 -0.05 -0.07 -0.34 0.00 0.00 178.44 177.91 1rfu h LEU 157 N 0.34 -0.11 0.00 2.25 3.38 -0.10 -3.20 115.31 117.87 1rfu h LEU 157 Ca 0.71 -0.45 0.00 0.00 0.09 0.00 0.00 57.88 58.23 1rfu h LEU 157 Cb 1.58 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.36 1rfu h LEU 157 CO -0.60 0.53 0.00 0.35 0.09 0.00 0.00 178.44 178.81 1rfu n THR 158 N -4.83 0.00 -0.90 0.22 -2.24 -0.78 -4.87 114.28 100.89 1rfu n THR 158 Ca -0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1rfu n THR 158 Cb 0.27 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 1rfu n THR 158 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rfu n GLY 159 N 0.45 0.03 0.00 3.38 0.00 0.13 -4.94 105.19 104.24 1rfu n GLY 159 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1rfu n GLY 159 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rfu n ARG 160 N 0.23 3.42 -3.69 1.61 1.74 -0.99 -4.95 116.66 114.03 1rfu n ARG 160 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 1rfu n ARG 160 Cb 0.38 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.71 1rfu n ARG 160 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1rfu s LYS 161 N 2.57 0.32 0.24 5.56 2.20 -1.26 -4.41 119.74 124.97 1rfu s LYS 161 Ca 0.00 0.79 -0.20 0.00 -0.36 0.00 0.00 55.97 56.20 1rfu s LYS 161 Cb 0.00 0.03 -0.09 0.00 -1.51 0.00 0.00 37.83 36.27 1rfu s LYS 161 CO 0.00 -0.19 0.76 0.42 -0.36 0.00 0.00 175.35 175.98 1rfu s ILE 162 N 1.73 4.53 0.00 5.43 -1.09 -1.26 -4.93 121.20 125.61 1rfu s ILE 162 Ca -0.07 1.33 0.00 0.00 -2.23 0.00 0.00 60.65 59.69 1rfu s ILE 162 Cb -0.10 -3.86 0.00 0.00 -1.58 0.00 0.00 42.46 36.92 1rfu s ILE 162 CO -0.12 0.17 0.38 0.00 -1.23 0.00 0.00 174.94 174.14 1rfu n HIS 163 N 0.61 0.00 -3.52 3.97 1.44 -1.26 -5.04 115.22 111.42 1rfu n HIS 163 Ca -0.01 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.60 1rfu n HIS 163 Cb 0.51 0.10 -0.03 0.00 0.12 0.00 0.00 29.99 30.69 1rfu n HIS 163 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 1rfu s SER 164 N -0.15 -0.38 0.18 4.39 1.04 -1.26 -4.98 113.70 112.53 1rfu s SER 164 Ca 0.00 0.12 -0.14 0.00 0.48 0.00 0.00 55.95 56.41 1rfu s SER 164 Cb 0.00 0.38 0.14 0.00 0.10 0.00 0.00 66.02 66.64 1rfu s SER 164 CO 0.00 -0.57 1.72 -0.61 0.98 0.00 0.00 173.24 174.76 1rfu h GLN 165 N 2.17 0.21 0.02 4.02 4.15 -1.99 -1.25 115.11 122.44 1rfu h GLN 165 Ca -0.22 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.19 1rfu h GLN 165 Cb 1.22 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.86 1rfu h GLN 165 CO 0.31 0.14 -0.08 1.49 -1.93 0.00 0.00 178.83 178.77 1rfu h GLU 166 N 0.22 -0.11 -0.53 1.69 4.81 -1.98 0.41 114.58 119.09 1rfu h GLU 166 Ca 0.22 0.01 0.17 0.00 -0.13 0.00 0.00 59.36 59.63 1rfu h GLU 166 Cb 0.28 0.02 -0.10 0.00 0.63 0.00 0.00 28.75 29.58 1rfu h GLU 166 CO -0.29 -0.07 0.11 0.39 -0.73 0.00 0.00 179.01 178.42 1rfu n GLU 167 N -2.86 -0.04 0.11 1.92 -0.58 -0.98 0.18 120.64 118.39 1rfu n GLU 167 Ca -0.01 0.78 -0.04 0.00 -0.42 0.00 0.00 57.16 57.46 1rfu n GLU 167 Cb 0.06 -1.29 -0.02 0.00 -0.57 0.00 0.00 31.44 29.62 1rfu n GLU 167 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1rfu h ALA 168 N 1.06 -0.90 -1.85 0.62 0.00 0.48 -2.68 119.26 116.00 1rfu h ALA 168 Ca 0.37 -0.06 0.54 0.00 0.00 0.00 0.00 54.91 55.75 1rfu h ALA 168 Cb 0.85 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.68 1rfu h ALA 168 CO -0.47 -0.88 1.35 -0.07 0.00 0.00 0.00 179.25 179.18 1rfu h LEU 169 N -0.32 0.00 0.01 0.00 3.38 0.60 0.35 115.31 119.33 1rfu h LEU 169 Ca -0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1rfu h LEU 169 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1rfu h LEU 169 CO 0.05 0.00 -0.00 -0.33 0.09 0.00 0.00 178.44 178.24 1rfu h GLU 170 N 0.00 -0.01 -0.94 1.13 5.08 -0.82 -2.65 114.58 116.36 1rfu h GLU 170 Ca 0.88 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 59.39 1rfu h GLU 170 Cb 3.57 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 32.73 1rfu h GLU 170 CO -0.01 0.60 0.55 0.28 -1.00 0.00 0.00 179.01 179.43 1rfu h VAL 171 N -0.62 0.80 -0.78 3.13 2.07 0.03 0.64 116.25 121.51 1rfu h VAL 171 Ca -0.00 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 1rfu h VAL 171 Cb 0.61 -0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 1rfu h VAL 171 CO 0.00 0.15 0.39 0.24 0.02 0.00 0.00 177.57 178.37 1rfu h MET 172 N 0.80 1.12 -0.23 1.57 2.86 -1.42 1.12 114.93 120.74 1rfu h MET 172 Ca 0.50 -0.15 0.01 0.00 -2.06 0.00 0.00 59.70 58.00 1rfu h MET 172 Cb 0.66 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 1rfu h MET 172 CO -0.33 0.85 0.13 -0.44 1.06 0.00 0.00 176.91 178.19 1rfu h ASP 173 N 1.10 0.22 -0.45 1.22 3.45 0.15 0.32 116.42 122.43 1rfu h ASP 173 Ca 0.27 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.73 1rfu h ASP 173 Cb 0.09 -0.04 -0.02 0.00 -0.56 0.00 0.00 39.33 38.80 1rfu h ASP 173 CO -0.04 0.16 0.27 0.24 -1.57 0.00 0.00 179.24 178.30 1rfu h MET 174 N 0.28 0.62 0.38 3.56 2.86 0.86 -0.75 114.93 122.73 1rfu h MET 174 Ca 0.09 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.65 1rfu h MET 174 Cb -0.01 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.53 1rfu h MET 174 CO -0.04 0.46 -0.18 -0.07 1.06 0.00 0.00 176.91 178.14 1rfu h LEU 175 N 0.60 -0.44 -0.70 1.22 3.38 0.17 -1.94 115.31 117.61 1rfu h LEU 175 Ca 0.16 0.02 0.12 0.00 0.09 0.00 0.00 57.88 58.27 1rfu h LEU 175 Cb 0.01 0.11 -0.13 0.00 0.09 0.00 0.00 40.66 40.74 1rfu h LEU 175 CO -0.03 -0.31 -0.32 0.45 0.09 0.00 0.00 178.44 178.32 1rfu h HIS 176 N -0.51 -0.87 -1.16 1.13 3.86 -0.10 0.42 115.15 117.92 1rfu h HIS 176 Ca -0.05 0.08 0.33 0.00 -1.16 0.00 0.00 60.37 59.56 1rfu h HIS 176 Cb 0.39 0.49 -0.08 0.00 1.06 0.00 0.00 27.41 29.27 1rfu h HIS 176 CO -0.05 -0.38 0.78 1.03 0.86 0.00 0.00 177.93 180.17 1rfu h SER 177 N -0.10 0.24 1.52 2.45 0.87 -0.50 0.90 113.55 118.91 1rfu h SER 177 Ca 0.28 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 1rfu h SER 177 Cb 0.56 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.54 1rfu h SER 177 CO -0.76 0.01 0.00 0.24 -0.53 0.00 0.00 176.83 175.80 1rfu h MET 178 N 0.19 0.00 0.00 2.24 2.07 0.58 -3.48 114.93 116.53 1rfu h MET 178 Ca 0.62 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 58.25 1rfu h MET 178 Cb 2.00 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.73 1rfu h MET 178 CO -0.20 0.00 0.00 0.41 1.07 0.00 0.00 176.91 178.19 1rfu n GLY 179 N 1.18 -0.32 3.60 8.32 0.00 0.31 -3.47 105.19 114.81 1rfu n GLY 179 Ca 0.05 0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.93 1rfu n GLY 179 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rfu n PRO 180 N 0.00 1.37 -0.01 1.61 -0.04 -0.56 -4.87 135.00 132.51 1rfu n PRO 180 Ca 0.00 0.49 0.10 0.00 -0.04 0.00 0.00 63.50 64.05 1rfu n PRO 180 Cb 0.00 -1.94 -0.15 0.00 -0.04 0.00 0.00 33.50 31.38 1rfu n PRO 180 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1rfu n ASP 181 N 0.92 0.51 -4.10 3.54 8.00 -1.16 -3.96 116.55 120.30 1rfu n ASP 181 Ca 0.09 -0.24 -0.30 0.00 0.71 0.00 0.00 54.79 55.05 1rfu n ASP 181 Cb 0.35 1.70 -0.17 0.00 -0.02 0.00 0.00 41.12 42.99 1rfu n ASP 181 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1rfu s THR 182 N -3.27 1.74 -0.02 -3.53 2.01 -1.13 -0.39 115.64 111.06 1rfu s THR 182 Ca -0.04 -0.79 0.02 0.00 0.31 0.00 0.00 61.69 61.19 1rfu s THR 182 Cb 0.13 -1.57 0.00 0.00 0.01 0.00 0.00 72.50 71.08 1rfu s THR 182 CO 0.83 0.49 -0.07 -0.69 -0.69 0.00 0.00 174.62 174.49 1rfu s VAL 183 N 0.93 0.61 -0.03 3.82 1.01 0.15 -2.20 120.40 124.70 1rfu s VAL 183 Ca -0.06 -0.29 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 1rfu s VAL 183 Cb -0.15 -0.54 0.03 0.00 0.00 0.00 0.00 36.38 35.72 1rfu s VAL 183 CO -0.02 0.19 0.03 -0.69 0.00 0.00 0.00 175.10 174.61 1rfu s VAL 184 N 0.07 -0.03 -0.54 2.92 1.01 -0.54 0.49 120.40 123.78 1rfu s VAL 184 Ca -0.01 0.27 -0.18 0.00 0.00 0.00 0.00 61.98 62.06 1rfu s VAL 184 Cb -0.06 -0.14 0.10 0.00 0.00 0.00 0.00 36.38 36.28 1rfu s VAL 184 CO -0.00 0.13 0.58 -0.63 0.00 0.00 0.00 175.10 175.18 1rfu s ILE 185 N 1.45 5.01 0.62 2.22 -1.09 0.82 -1.88 121.20 128.36 1rfu s ILE 185 Ca -0.04 -1.06 0.31 0.00 -2.23 0.00 0.00 60.65 57.62 1rfu s ILE 185 Cb -0.13 -4.35 0.35 0.00 -1.58 0.00 0.00 42.46 36.76 1rfu s ILE 185 CO -0.03 -0.90 2.03 0.71 -1.23 0.00 0.00 174.94 175.52 1rfu h THR 186 N 5.87 0.24 0.00 2.92 1.35 -1.71 -1.82 112.91 119.77 1rfu h THR 186 Ca -0.29 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1rfu h THR 186 Cb 1.10 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.27 1rfu h THR 186 CO 1.02 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.75 1rfu n SER 187 N -3.39 0.00 -3.65 5.36 3.41 -1.25 -4.53 113.62 109.58 1rfu n SER 187 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 1rfu n SER 187 Cb 0.39 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.33 1rfu n SER 187 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1rfu s SER 188 N 0.00 -0.07 0.41 4.04 1.04 -0.84 -2.80 113.70 115.48 1rfu s SER 188 Ca 0.00 -0.26 0.22 0.00 0.48 0.00 0.00 55.95 56.39 1rfu s SER 188 Cb 0.00 0.26 0.64 0.00 0.10 0.00 0.00 66.02 67.02 1rfu s SER 188 CO 0.00 -0.50 1.70 0.78 0.98 0.00 0.00 173.24 176.20 1rfu h ASN 189 N 2.00 0.00 -0.12 7.02 2.35 -1.96 -3.31 115.58 121.55 1rfu h ASN 189 Ca -0.28 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.37 1rfu h ASN 189 Cb 1.21 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.58 1rfu h ASN 189 CO 0.29 0.25 0.07 0.18 -1.65 0.00 0.00 177.43 176.57 1rfu n LEU 190 N -3.28 0.12 -4.54 1.61 4.32 -1.26 -4.41 117.00 109.57 1rfu n LEU 190 Ca 0.01 0.14 -0.15 0.00 -0.02 0.00 0.00 56.01 56.00 1rfu n LEU 190 Cb 0.52 -0.11 -0.11 0.00 -1.62 0.00 0.00 43.42 42.10 1rfu n LEU 190 CO 0.35 -0.12 1.42 0.18 -1.22 0.00 0.00 177.39 178.00 1rfu n LEU 191 N 0.44 1.01 -4.55 2.23 4.77 -1.26 -4.80 117.00 114.84 1rfu n LEU 191 Ca 0.04 -1.28 -0.42 0.00 -0.03 0.00 0.00 56.01 54.32 1rfu n LEU 191 Cb -0.00 -1.39 0.01 0.00 -2.33 0.00 0.00 43.42 39.70 1rfu n LEU 191 CO 0.10 -2.36 0.38 -1.20 -1.33 0.00 0.00 177.39 172.98 1rfu n SER 192 N 15.58 0.42 0.08 -1.43 7.64 -1.26 -4.79 113.62 129.85 1rfu n SER 192 Ca 0.52 1.01 0.21 0.00 1.01 0.00 0.00 58.87 61.61 1rfu n SER 192 Cb 0.36 -1.25 0.71 0.00 -1.01 0.00 0.00 64.21 63.02 1rfu n SER 192 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1rfu h PRO 193 N 1.29 0.00 -2.99 1.43 0.11 -1.98 -3.38 132.00 126.49 1rfu h PRO 193 Ca -0.42 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.41 1rfu h PRO 193 Cb 1.36 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 32.12 1rfu h PRO 193 CO 0.55 0.00 -0.61 -0.98 -0.21 0.00 0.00 178.00 176.75 1rfu s ARG 194 N -4.54 0.07 0.27 1.05 1.70 -1.26 -5.11 118.95 111.12 1rfu s ARG 194 Ca -0.04 0.58 0.00 0.00 -0.47 0.00 0.00 55.73 55.80 1rfu s ARG 194 Cb 0.15 -0.30 0.00 0.00 -0.57 0.00 0.00 34.95 34.23 1rfu s ARG 194 CO 0.51 -0.33 0.00 0.41 -1.08 0.00 0.00 175.30 174.81 1rfu n GLY 195 N 5.33 -3.54 0.10 3.88 0.00 -1.26 -4.59 105.19 105.12 1rfu n GLY 195 Ca -0.05 -1.04 0.12 0.00 0.00 0.00 0.00 46.02 45.05 1rfu n GLY 195 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1rfu h SER 196 N 0.34 0.00 -0.51 1.61 0.87 -1.99 -3.32 113.55 110.54 1rfu h SER 196 Ca 0.00 -0.11 -0.32 0.00 -1.23 0.00 0.00 61.79 60.14 1rfu h SER 196 Cb 0.29 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 62.12 1rfu h SER 196 CO 0.00 0.05 0.33 -0.90 -0.53 0.00 0.00 176.83 175.78 1rfu n ASP 197 N -2.39 6.30 -3.72 6.23 5.68 -1.26 -4.81 116.55 122.58 1rfu n ASP 197 Ca 0.03 -3.00 -0.12 0.00 -0.50 0.00 0.00 54.79 51.20 1rfu n ASP 197 Cb 0.48 -1.12 -0.12 0.00 -1.14 0.00 0.00 41.12 39.21 1rfu n ASP 197 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 1rfu s TYR 198 N -1.47 -0.40 -0.04 2.11 1.51 -1.25 -2.89 117.35 114.92 1rfu s TYR 198 Ca 0.35 0.92 -0.16 0.00 -1.01 0.00 0.00 57.07 57.17 1rfu s TYR 198 Cb 0.25 0.10 -0.05 0.00 -0.11 0.00 0.00 41.96 42.15 1rfu s TYR 198 CO -0.04 -0.26 0.42 -0.51 -1.11 0.00 0.00 175.55 174.04 1rfu s LEU 199 N 1.32 4.42 0.01 -1.29 1.43 0.19 -4.75 118.68 119.99 1rfu s LEU 199 Ca -0.09 0.90 0.01 0.00 -1.03 0.00 0.00 54.13 53.93 1rfu s LEU 199 Cb -0.10 -2.60 -0.04 0.00 0.03 0.00 0.00 46.19 43.48 1rfu s LEU 199 CO -0.10 0.23 0.03 -0.32 0.23 0.00 0.00 176.35 176.42 1rfu s MET 200 N -0.58 2.85 -0.01 1.70 -2.45 -1.25 0.16 119.30 119.73 1rfu s MET 200 Ca 0.24 -0.60 0.01 0.00 -1.25 0.00 0.00 55.69 54.09 1rfu s MET 200 Cb -0.16 -2.71 0.01 0.00 1.25 0.00 0.00 34.83 33.21 1rfu s MET 200 CO 0.12 0.62 -0.01 0.00 1.05 0.00 0.00 175.02 176.80 1rfu s ALA 201 N -1.15 0.18 -0.09 4.11 0.00 0.69 -1.99 121.76 123.52 1rfu s ALA 201 Ca 0.21 -0.01 0.04 0.00 0.00 0.00 0.00 51.96 52.20 1rfu s ALA 201 Cb -0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 1rfu s ALA 201 CO 0.12 0.01 -0.23 -0.51 0.00 0.00 0.00 175.76 175.16 1rfu s LEU 202 N 0.21 2.17 -0.10 0.00 1.43 -0.68 -0.28 118.68 121.43 1rfu s LEU 202 Ca -0.02 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.58 1rfu s LEU 202 Cb -0.04 -1.42 0.02 0.00 0.03 0.00 0.00 46.19 44.78 1rfu s LEU 202 CO -0.01 0.20 -0.09 -0.83 0.23 0.00 0.00 176.35 175.85 1rfu s GLY 203 N 0.12 0.82 0.01 -3.19 0.00 0.13 -0.12 107.32 105.08 1rfu s GLY 203 Ca -0.11 -0.51 0.04 0.00 0.00 0.00 0.00 44.72 44.13 1rfu s GLY 203 CO 0.06 0.60 -0.08 -0.45 0.00 0.00 0.00 173.10 173.23 1rfu s SER 204 N 1.39 4.51 -0.07 1.64 0.15 0.18 -1.04 113.70 120.46 1rfu s SER 204 Ca -0.01 -0.18 -0.05 0.00 0.70 0.00 0.00 55.95 56.41 1rfu s SER 204 Cb -0.13 -1.01 0.03 0.00 -1.71 0.00 0.00 66.02 63.19 1rfu s SER 204 CO -0.05 0.28 0.18 -1.58 1.20 0.00 0.00 173.24 173.27 1rfu s GLN 205 N -1.43 0.18 -0.10 5.44 0.74 0.17 0.32 119.66 124.99 1rfu s GLN 205 Ca 0.17 0.34 0.01 0.00 0.05 0.00 0.00 55.36 55.93 1rfu s GLN 205 Cb -0.11 -0.02 0.02 0.00 1.10 0.00 0.00 33.01 34.00 1rfu s GLN 205 CO 0.07 -0.09 -0.11 0.50 -0.55 0.00 0.00 175.29 175.12 1rfu s ARG 206 N 0.62 1.71 0.06 1.67 3.52 0.48 0.40 118.95 127.40 1rfu s ARG 206 Ca -0.04 -0.36 0.09 0.00 -0.13 0.00 0.00 55.73 55.28 1rfu s ARG 206 Cb -0.06 -1.58 -0.03 0.00 -1.56 0.00 0.00 34.95 31.73 1rfu s ARG 206 CO -0.03 -0.13 -0.25 0.99 -0.81 0.00 0.00 175.30 175.07 1rfu s THR 207 N 1.22 1.99 -0.45 4.11 2.01 -0.06 -4.80 115.64 119.66 1rfu s THR 207 Ca -0.04 -1.40 -0.08 0.00 0.31 0.00 0.00 61.69 60.48 1rfu s THR 207 Cb -0.14 -1.73 0.11 0.00 0.01 0.00 0.00 72.50 70.75 1rfu s THR 207 CO -0.03 0.26 0.30 -0.13 -0.69 0.00 0.00 174.62 174.32 1rfu s ARG 208 N -1.38 2.45 0.98 4.92 1.81 -1.26 -0.57 118.95 125.90 1rfu s ARG 208 Ca 0.10 -1.67 -0.12 0.00 -1.72 0.00 0.00 55.73 52.32 1rfu s ARG 208 Cb -0.10 -3.83 0.13 0.00 -0.45 0.00 0.00 34.95 30.71 1rfu s ARG 208 CO 0.03 -1.10 0.82 0.00 -0.68 0.00 0.00 175.30 174.37 1rfu n ALA 209 N 4.87 -1.87 1.47 2.13 0.00 0.13 -4.83 120.51 122.40 1rfu n ALA 209 Ca -0.08 -0.71 0.07 0.00 0.00 0.00 0.00 53.44 52.72 1rfu n ALA 209 Cb 0.41 -2.00 0.41 0.00 0.00 0.00 0.00 19.45 18.27 1rfu n ALA 209 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1rfu n PRO 210 N -3.41 0.73 -0.18 0.00 -0.02 -1.26 -1.69 135.00 129.17 1rfu n PRO 210 Ca 0.08 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.62 1rfu n PRO 210 Cb 0.53 -1.29 0.15 0.00 -0.02 0.00 0.00 33.50 32.87 1rfu n PRO 210 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1rfu n ASP 211 N -0.79 2.92 0.00 2.55 5.68 -1.26 -4.97 116.55 120.68 1rfu n ASP 211 Ca 0.10 -2.05 0.00 0.00 -0.50 0.00 0.00 54.79 52.34 1rfu n ASP 211 Cb 0.05 -0.23 0.00 0.00 -1.14 0.00 0.00 41.12 39.79 1rfu n ASP 211 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1rfu n GLY 212 N 0.41 2.83 3.76 6.12 0.00 -0.68 -5.02 105.19 112.60 1rfu n GLY 212 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 1rfu n GLY 212 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rfu s SER 213 N 0.22 5.46 -0.40 1.61 1.04 -1.26 -4.66 113.70 115.71 1rfu s SER 213 Ca 0.00 2.84 -0.04 0.00 0.48 0.00 0.00 55.95 59.23 1rfu s SER 213 Cb 0.00 -2.64 0.10 0.00 0.10 0.00 0.00 66.02 63.57 1rfu s SER 213 CO 0.00 -1.45 0.19 0.68 0.98 0.00 0.00 173.24 173.64 1rfu s VAL 214 N -1.26 3.45 -0.14 5.02 -7.23 -1.26 0.20 120.40 119.19 1rfu s VAL 214 Ca 0.68 -1.83 -0.29 0.00 -1.81 0.00 0.00 61.98 58.73 1rfu s VAL 214 Cb -0.42 -3.26 -0.01 0.00 0.56 0.00 0.00 36.38 33.25 1rfu s VAL 214 CO 0.51 -0.58 1.09 0.54 -0.31 0.00 0.00 175.10 176.36 1rfu s VAL 215 N 1.22 4.58 -0.09 1.32 0.11 0.26 -4.86 120.40 122.94 1rfu s VAL 215 Ca 0.05 1.88 -0.00 0.00 -2.93 0.00 0.00 61.98 60.98 1rfu s VAL 215 Cb -0.23 -4.21 -0.03 0.00 -1.53 0.00 0.00 36.38 30.39 1rfu s VAL 215 CO -0.02 -0.07 -0.06 -0.89 -3.33 0.00 0.00 175.10 170.72 1rfu s THR 216 N 2.58 3.73 -0.09 5.04 2.01 -1.26 -0.89 115.64 126.76 1rfu s THR 216 Ca 0.49 -0.46 0.04 0.00 0.31 0.00 0.00 61.69 62.08 1rfu s THR 216 Cb -0.19 -2.55 -0.01 0.00 0.01 0.00 0.00 72.50 69.76 1rfu s THR 216 CO 0.15 0.57 -0.22 -1.10 -0.69 0.00 0.00 174.62 173.33 1rfu s GLN 217 N -0.51 2.95 -0.04 4.92 -0.21 0.16 -5.00 119.66 121.93 1rfu s GLN 217 Ca 0.08 -0.85 0.01 0.00 0.02 0.00 0.00 55.36 54.61 1rfu s GLN 217 Cb -0.12 -2.31 0.02 0.00 1.00 0.00 0.00 33.01 31.60 1rfu s GLN 217 CO 0.02 0.25 -0.03 1.03 -2.12 0.00 0.00 175.29 174.45 1rfu s ARG 218 N 0.17 0.66 -0.01 2.91 1.81 -1.26 -0.65 118.95 122.57 1rfu s ARG 218 Ca -0.13 -0.04 -0.01 0.00 -1.72 0.00 0.00 55.73 53.83 1rfu s ARG 218 Cb -0.16 -0.73 0.01 0.00 -0.45 0.00 0.00 34.95 33.61 1rfu s ARG 218 CO 0.07 -0.11 0.03 0.96 -0.68 0.00 0.00 175.30 175.57 1rfu s ILE 219 N 0.99 -0.01 0.08 1.52 -4.36 -0.21 -1.93 121.20 117.29 1rfu s ILE 219 Ca -0.10 0.03 0.08 0.00 -0.26 0.00 0.00 60.65 60.40 1rfu s ILE 219 Cb -0.14 -0.05 -0.04 0.00 1.25 0.00 0.00 42.46 43.48 1rfu s ILE 219 CO -0.01 0.01 -0.20 -0.60 0.24 0.00 0.00 174.94 174.39 1rfu s ARG 220 N 0.15 1.86 -0.00 0.37 3.52 -0.26 0.20 118.95 124.79 1rfu s ARG 220 Ca -0.01 -1.11 -0.00 0.00 -0.13 0.00 0.00 55.73 54.48 1rfu s ARG 220 Cb -0.02 -2.11 -0.00 0.00 -1.56 0.00 0.00 34.95 31.26 1rfu s ARG 220 CO -0.00 0.50 0.01 -1.64 -0.81 0.00 0.00 175.30 173.36 1rfu s MET 221 N -1.77 0.03 -0.29 5.12 -1.94 0.61 -0.76 119.30 120.30 1rfu s MET 221 Ca 0.16 -0.03 -0.06 0.00 -1.71 0.00 0.00 55.69 54.04 1rfu s MET 221 Cb -0.10 0.01 0.01 0.00 2.01 0.00 0.00 34.83 36.76 1rfu s MET 221 CO 0.07 -0.00 0.06 -1.21 -0.01 0.00 0.00 175.02 173.92 1rfu s GLU 222 N -0.10 3.02 0.09 2.03 2.02 -1.26 -0.22 118.70 124.27 1rfu s GLU 222 Ca -0.01 -0.90 0.04 0.00 0.02 0.00 0.00 54.97 54.12 1rfu s GLU 222 Cb -0.01 -3.31 -0.04 0.00 0.10 0.00 0.00 34.13 30.87 1rfu s GLU 222 CO -0.00 -0.45 0.04 -1.64 0.02 0.00 0.00 175.26 173.23 1rfu s MET 223 N 1.46 2.70 -0.35 1.61 -1.94 0.43 -4.88 119.30 118.33 1rfu s MET 223 Ca 0.02 -0.78 -0.28 0.00 -1.71 0.00 0.00 55.69 52.94 1rfu s MET 223 Cb -0.17 -2.62 0.02 0.00 2.01 0.00 0.00 34.83 34.06 1rfu s MET 223 CO 0.01 0.55 1.02 -1.58 -0.01 0.00 0.00 175.02 175.02 1rfu s HIS 224 N -1.36 3.09 0.29 -0.03 2.46 -1.26 0.52 115.29 118.99 1rfu s HIS 224 Ca 0.28 0.98 -0.29 0.00 0.47 0.00 0.00 55.06 56.49 1rfu s HIS 224 Cb -0.12 -3.76 -0.10 0.00 -0.13 0.00 0.00 32.58 28.47 1rfu s HIS 224 CO 0.20 -0.84 1.39 0.21 -2.47 0.00 0.00 174.74 173.23 1rfu s LYS 225 N 3.67 4.29 -0.13 2.88 2.20 -1.14 -4.81 119.74 126.70 1rfu s LYS 225 Ca 0.43 2.28 -0.07 0.00 -0.36 0.00 0.00 55.97 58.25 1rfu s LYS 225 Cb -0.11 -3.09 -0.04 0.00 -1.51 0.00 0.00 37.83 33.08 1rfu s LYS 225 CO 0.18 -0.34 0.12 0.08 -0.36 0.00 0.00 175.35 175.04 1rfu s VAL 226 N -0.51 5.32 -0.40 4.02 1.01 -1.26 -4.88 120.40 123.69 1rfu s VAL 226 Ca 0.55 0.14 -0.03 0.00 0.00 0.00 0.00 61.98 62.64 1rfu s VAL 226 Cb -0.41 -3.33 -0.07 0.00 0.00 0.00 0.00 36.38 32.57 1rfu s VAL 226 CO 0.48 0.59 1.80 -0.67 0.00 0.00 0.00 175.10 177.30 1rfu n ASP 227 N 2.27 3.03 -3.70 3.32 -0.08 -1.26 -4.74 116.55 115.38 1rfu n ASP 227 Ca -0.19 -2.10 -0.02 0.00 -1.51 0.00 0.00 54.79 50.96 1rfu n ASP 227 Cb 0.54 -0.79 -0.01 0.00 2.34 0.00 0.00 41.12 43.20 1rfu n ASP 227 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1rfu s ALA 228 N 3.18 -1.84 -0.39 -1.67 0.00 -1.26 -5.03 121.76 114.75 1rfu s ALA 228 Ca 0.28 0.35 -0.03 0.00 0.00 0.00 0.00 51.96 52.57 1rfu s ALA 228 Cb 0.10 0.54 0.10 0.00 0.00 0.00 0.00 23.12 23.85 1rfu s ALA 228 CO -0.01 -1.02 0.17 0.08 0.00 0.00 0.00 175.76 174.97 1rfu s VAL 229 N -3.02 3.26 0.51 0.00 1.01 -1.26 -5.10 120.40 115.80 1rfu s VAL 229 Ca 0.12 -1.93 0.02 0.00 0.00 0.00 0.00 61.98 60.19 1rfu s VAL 229 Cb 0.00 -3.18 0.02 0.00 0.00 0.00 0.00 36.38 33.23 1rfu s VAL 229 CO -0.00 -0.59 0.72 -0.36 0.00 0.00 0.00 175.10 174.87 1rfu s PHE 230 N 1.17 2.95 -0.03 5.22 0.40 -1.26 -4.98 117.98 121.44 1rfu s PHE 230 Ca 0.06 0.00 0.01 0.00 -0.60 0.00 0.00 56.93 56.40 1rfu s PHE 230 Cb -0.22 -2.59 0.03 0.00 0.51 0.00 0.00 43.02 40.75 1rfu s PHE 230 CO -0.03 -0.68 -0.01 0.08 0.70 0.00 0.00 175.22 175.28 1rfu s VAL 231 N -2.65 0.25 0.00 -0.44 1.01 -1.26 -4.73 120.40 112.58 1rfu s VAL 231 Ca 0.54 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.57 1rfu s VAL 231 Cb -0.10 -0.33 0.00 0.00 0.00 0.00 0.00 36.38 35.95 1rfu s VAL 231 CO 0.38 0.16 0.00 0.61 0.00 0.00 0.00 175.10 176.25 1rfu n GLY 232 N 4.11 1.87 0.14 4.51 0.00 -1.26 -4.67 105.19 109.90 1rfu n GLY 232 Ca -0.26 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.67 1rfu n GLY 232 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1rfu h THR 233 N 0.00 0.71 -0.36 2.61 1.35 -1.86 -1.24 112.91 114.11 1rfu h THR 233 Ca 0.00 0.00 0.06 0.00 -0.55 0.00 0.00 66.41 65.92 1rfu h THR 233 Cb 0.00 0.71 -0.08 0.00 -1.73 0.00 0.00 68.15 67.05 1rfu h THR 233 CO 0.00 0.00 -0.48 1.23 -0.25 0.00 0.00 175.52 176.02 1rfu h GLY 234 N -0.08 -0.77 0.38 5.82 0.00 -1.94 0.09 103.07 106.57 1rfu h GLY 234 Ca 0.10 0.62 0.12 0.00 0.00 0.00 0.00 47.33 48.17 1rfu h GLY 234 CO -0.22 -0.17 0.48 -0.55 0.00 0.00 0.00 176.54 176.08 1rfu h ASP 235 N -0.39 0.65 -0.32 0.19 3.32 -1.83 -0.48 116.42 117.56 1rfu h ASP 235 Ca 0.10 0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.22 1rfu h ASP 235 Cb 0.60 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.09 1rfu h ASP 235 CO -0.56 0.33 0.19 0.25 -1.72 0.00 0.00 179.24 177.72 1rfu h LEU 236 N 0.74 0.39 -0.01 1.55 5.85 -0.17 -2.52 115.31 121.15 1rfu h LEU 236 Ca 0.44 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.10 1rfu h LEU 236 Cb 0.52 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.44 1rfu h LEU 236 CO -0.30 0.34 -0.04 0.15 -0.34 0.00 0.00 178.44 178.25 1rfu h PHE 237 N 0.40 -0.11 -0.69 1.25 3.57 0.58 -0.80 116.94 121.15 1rfu h PHE 237 Ca 0.11 0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.75 1rfu h PHE 237 Cb 0.03 0.05 -0.13 0.00 2.79 0.00 0.00 35.95 38.69 1rfu h PHE 237 CO -0.04 -0.04 -0.19 0.00 -2.23 0.00 0.00 178.31 175.81 1rfu h ALA 238 N -1.35 0.41 -0.18 2.41 0.00 -1.33 1.40 119.26 120.61 1rfu h ALA 238 Ca 0.00 0.26 0.05 0.00 0.00 0.00 0.00 54.91 55.22 1rfu h ALA 238 Cb 0.05 0.56 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 1rfu h ALA 238 CO -0.03 -0.44 -0.16 0.00 0.00 0.00 0.00 179.25 178.62 1rfu h ALA 239 N 1.63 -0.04 -0.64 0.00 0.00 -1.20 1.45 119.26 120.47 1rfu h ALA 239 Ca 0.32 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.21 1rfu h ALA 239 Cb 0.51 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1rfu h ALA 239 CO -0.72 -0.59 0.05 0.52 0.00 0.00 0.00 179.25 178.51 1rfu h MET 240 N -0.17 1.10 -0.43 0.00 2.07 0.63 -1.89 114.93 116.24 1rfu h MET 240 Ca 0.11 -0.33 0.05 0.00 -2.07 0.00 0.00 59.70 57.47 1rfu h MET 240 Cb 0.34 -0.11 -0.05 0.00 -1.87 0.00 0.00 31.60 29.91 1rfu h MET 240 CO -0.28 1.04 0.17 1.25 1.07 0.00 0.00 176.91 180.16 1rfu h LEU 241 N 1.01 0.21 -2.03 1.22 5.85 0.33 0.43 115.31 122.32 1rfu h LEU 241 Ca 0.19 0.04 0.11 0.00 0.84 0.00 0.00 57.88 59.06 1rfu h LEU 241 Cb 0.51 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 1rfu h LEU 241 CO 0.02 0.15 0.29 0.25 -0.34 0.00 0.00 178.44 178.81 1rfu h LEU 242 N 0.35 0.00 0.06 2.25 6.46 0.27 -2.25 115.31 122.46 1rfu h LEU 242 Ca 0.20 0.00 -0.28 0.00 -0.12 0.00 0.00 57.88 57.68 1rfu h LEU 242 Cb 0.17 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.07 1rfu h LEU 242 CO -0.18 0.00 -1.42 0.00 -0.62 0.00 0.00 178.44 176.21 1rfu h ALA 243 N 1.78 0.40 0.15 1.25 0.00 0.38 -3.23 119.26 119.99 1rfu h ALA 243 Ca 0.18 -1.13 -0.22 0.00 0.00 0.00 0.00 54.91 53.74 1rfu h ALA 243 Cb 0.75 0.20 0.02 0.00 0.00 0.00 0.00 17.79 18.77 1rfu h ALA 243 CO -0.00 1.27 -0.95 -1.49 0.00 0.00 0.00 179.25 178.08 1rfu h TRP 244 N 0.03 0.66 -0.10 0.00 -0.00 -0.71 -3.16 115.95 112.68 1rfu h TRP 244 Ca -0.19 -0.47 0.03 0.00 -0.00 0.00 0.00 58.89 58.26 1rfu h TRP 244 Cb 1.95 -0.03 -0.00 0.00 -0.00 0.00 0.00 29.16 31.07 1rfu h TRP 244 CO 0.03 1.36 0.08 1.79 -0.00 0.00 0.00 178.44 181.69 1rfu h THR 245 N -0.22 0.89 -0.04 1.49 1.35 -1.59 1.23 112.91 116.03 1rfu h THR 245 Ca -0.16 0.00 -0.08 0.00 -0.55 0.00 0.00 66.41 65.62 1rfu h THR 245 Cb 1.73 0.95 -0.01 0.00 -1.73 0.00 0.00 68.15 69.09 1rfu h THR 245 CO 0.18 0.00 -0.34 -0.74 -0.25 0.00 0.00 175.52 174.37 1rfu h HIS 246 N 0.00 0.08 0.23 4.73 -0.00 -1.58 0.18 115.15 118.79 1rfu h HIS 246 Ca 0.05 -0.02 -0.34 0.00 -0.00 0.00 0.00 60.37 60.07 1rfu h HIS 246 Cb 0.20 -0.02 0.03 0.00 -0.00 0.00 0.00 27.41 27.62 1rfu h HIS 246 CO 0.00 0.41 -1.52 -0.22 -0.00 0.00 0.00 177.93 176.59 1rfu h LYS 247 N 0.06 0.48 -2.56 5.26 1.63 0.12 -3.39 116.57 118.17 1rfu h LYS 247 Ca 0.01 -0.82 -0.60 0.00 -0.85 0.00 0.00 60.65 58.38 1rfu h LYS 247 Cb 0.64 0.31 -0.41 0.00 -0.60 0.00 0.00 32.23 32.17 1rfu h LYS 247 CO 0.05 1.39 -0.75 0.72 -3.45 0.00 0.00 179.45 177.41 1rfu n HIS 248 N -3.67 1.83 0.30 1.91 8.25 0.24 -4.94 115.22 119.14 1rfu n HIS 248 Ca -0.18 -3.93 0.18 0.00 -0.26 0.00 0.00 57.72 53.54 1rfu n HIS 248 Cb 1.09 -0.36 0.92 0.00 1.12 0.00 0.00 29.99 32.76 1rfu n HIS 248 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1rfu h PRO 249 N 4.98 0.00 -0.71 -0.41 0.13 -0.86 -2.66 132.00 132.48 1rfu h PRO 249 Ca 0.18 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.85 1rfu h PRO 249 Cb 0.79 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.50 1rfu h PRO 249 CO 0.63 0.00 -0.91 0.09 -0.23 0.00 0.00 178.00 177.57 1rfu n ASN 250 N -2.86 3.83 -2.81 1.44 3.02 -1.26 -4.77 115.26 111.85 1rfu n ASN 250 Ca -0.01 -3.21 -0.11 0.00 -0.03 0.00 0.00 54.58 51.22 1rfu n ASN 250 Cb 0.14 -0.39 0.04 0.00 -0.61 0.00 0.00 39.78 38.95 1rfu n ASN 250 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1rfu n ASN 251 N -0.65 0.32 -0.31 6.41 2.85 -1.00 -4.95 115.26 117.92 1rfu n ASN 251 Ca 0.32 -2.84 0.17 0.00 -0.11 0.00 0.00 54.58 52.12 1rfu n ASN 251 Cb 0.90 -0.04 0.35 0.00 1.24 0.00 0.00 39.78 42.23 1rfu n ASN 251 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1rfu h LEU 252 N 2.82 0.03 0.25 1.20 5.85 -1.86 0.34 115.31 123.94 1rfu h LEU 252 Ca -0.08 0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1rfu h LEU 252 Cb 1.14 0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.44 1rfu h LEU 252 CO 0.36 -0.22 -0.30 0.50 -0.34 0.00 0.00 178.44 178.45 1rfu h LYS 253 N 0.17 -0.54 0.05 1.25 3.64 -1.95 0.31 116.57 119.50 1rfu h LYS 253 Ca 0.62 0.04 0.02 0.00 -1.27 0.00 0.00 60.65 60.06 1rfu h LYS 253 Cb 1.34 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 33.24 1rfu h LYS 253 CO -0.71 -0.36 -0.23 0.28 -2.27 0.00 0.00 179.45 176.17 1rfu h VAL 254 N -0.56 0.48 -0.66 2.00 2.07 -1.25 0.81 116.25 119.15 1rfu h VAL 254 Ca -0.03 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.61 1rfu h VAL 254 Cb 0.49 0.48 -0.09 0.00 -1.52 0.00 0.00 31.29 30.66 1rfu h VAL 254 CO -0.06 0.00 0.20 0.00 0.02 0.00 0.00 177.57 177.73 1rfu h ALA 255 N 0.44 0.85 -0.35 1.67 0.00 -0.36 0.29 119.26 121.81 1rfu h ALA 255 Ca 0.05 0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 1rfu h ALA 255 Cb 0.44 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1rfu h ALA 255 CO -0.17 -0.26 -0.27 0.00 0.00 0.00 0.00 179.25 178.55 1rfu h GLU 257 N 0.62 -0.43 0.29 0.00 5.08 0.42 -1.18 114.58 119.38 1rfu h GLU 257 Ca 0.08 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1rfu h GLU 257 Cb 0.77 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.09 1rfu h GLU 257 CO 0.06 -0.29 -0.46 0.87 -1.00 0.00 0.00 179.01 178.20 1rfu h LYS 258 N -0.45 -0.78 -0.18 2.33 1.57 -1.06 -0.51 116.57 117.49 1rfu h LYS 258 Ca -0.04 0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1rfu h LYS 258 Cb 0.35 0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 1rfu h LYS 258 CO 0.06 -0.52 -0.15 1.15 -0.57 0.00 0.00 179.45 179.43 1rfu h THR 259 N -0.81 0.00 -0.72 -0.16 2.02 -1.36 0.70 112.91 112.59 1rfu h THR 259 Ca -0.02 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.33 1rfu h THR 259 Cb 0.76 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.13 1rfu h THR 259 CO -0.16 0.00 0.49 0.58 0.37 0.00 0.00 175.52 176.81 1rfu h VAL 260 N -0.05 0.73 0.34 3.16 2.07 -1.12 0.41 116.25 121.81 1rfu h VAL 260 Ca 0.03 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 1rfu h VAL 260 Cb 0.13 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1rfu h VAL 260 CO -0.20 0.04 -0.17 0.28 0.02 0.00 0.00 177.57 177.55 1rfu h SER 261 N 0.24 -0.39 -0.62 0.57 0.02 0.75 0.61 113.55 114.72 1rfu h SER 261 Ca 0.35 -0.11 0.13 0.00 -0.84 0.00 0.00 61.79 61.33 1rfu h SER 261 Cb 1.04 0.10 -0.11 0.00 0.14 0.00 0.00 62.40 63.58 1rfu h SER 261 CO -0.08 -0.12 -0.04 0.00 -1.14 0.00 0.00 176.83 175.46 1rfu h ALA 262 N -0.09 0.57 -0.50 3.77 0.00 0.06 0.16 119.26 123.23 1rfu h ALA 262 Ca -0.05 0.21 0.10 0.00 0.00 0.00 0.00 54.91 55.16 1rfu h ALA 262 Cb 0.47 0.37 -0.10 0.00 0.00 0.00 0.00 17.79 18.53 1rfu h ALA 262 CO 0.08 -0.41 -0.27 1.98 0.00 0.00 0.00 179.25 180.63 1rfu h MET 263 N 0.08 -0.15 0.20 0.00 4.05 -0.56 0.15 114.93 118.71 1rfu h MET 263 Ca 0.32 0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.76 1rfu h MET 263 Cb 0.52 0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.32 1rfu h MET 263 CO -0.56 -0.10 -0.31 1.25 0.23 0.00 0.00 176.91 177.42 1rfu h HIS 264 N -0.16 -0.84 0.07 1.39 6.17 0.16 0.85 115.15 122.81 1rfu h HIS 264 Ca 0.22 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.31 1rfu h HIS 264 Cb 0.51 0.34 -0.01 0.00 2.52 0.00 0.00 27.41 30.77 1rfu h HIS 264 CO -0.54 -0.43 -0.14 0.45 0.71 0.00 0.00 177.93 177.99 1rfu h HIS 265 N -0.58 -0.38 -0.95 5.26 -0.00 -0.51 0.75 115.15 118.73 1rfu h HIS 265 Ca 0.01 0.01 0.13 0.00 -0.00 0.00 0.00 60.37 60.52 1rfu h HIS 265 Cb 0.57 0.16 -0.14 0.00 -0.00 0.00 0.00 27.41 28.00 1rfu h HIS 265 CO -0.24 -0.16 -0.42 0.28 -0.00 0.00 0.00 177.93 177.39 1rfu n VAL 266 N -3.17 -0.53 -0.11 2.45 0.31 0.45 -0.35 118.33 117.38 1rfu n VAL 266 Ca -0.03 2.24 -0.08 0.00 -0.01 0.00 0.00 64.34 66.46 1rfu n VAL 266 Cb 0.11 -2.91 -0.01 0.00 -0.91 0.00 0.00 33.84 30.13 1rfu n VAL 266 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1rfu h LEU 267 N 0.00 0.42 -0.23 7.52 3.38 -0.31 -1.07 115.31 125.02 1rfu h LEU 267 Ca 0.29 -0.02 0.04 0.00 0.09 0.00 0.00 57.88 58.28 1rfu h LEU 267 Cb 0.52 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 1rfu h LEU 267 CO -0.93 0.31 -0.04 1.56 0.09 0.00 0.00 178.44 179.43 1rfu h GLN 268 N 0.49 0.02 -0.63 1.13 1.08 0.35 -0.47 115.11 117.07 1rfu h GLN 268 Ca 0.13 -0.00 0.11 0.00 -1.45 0.00 0.00 58.65 57.44 1rfu h GLN 268 Cb -0.05 -0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 27.30 1rfu h GLN 268 CO -0.03 0.01 0.20 -0.09 -0.95 0.00 0.00 178.83 177.97 1rfu h ARG 269 N 0.02 0.34 0.76 1.46 2.43 -0.55 -1.87 114.38 116.97 1rfu h ARG 269 Ca 0.11 -0.02 -0.04 0.00 -0.81 0.00 0.00 59.98 59.22 1rfu h ARG 269 Cb 0.16 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1rfu h ARG 269 CO -0.23 0.23 -0.37 1.15 -1.51 0.00 0.00 179.97 179.25 1rfu h THR 270 N 0.35 0.00 -0.91 0.20 2.02 0.02 -2.62 112.91 111.97 1rfu h THR 270 Ca 0.33 -0.05 0.24 0.00 0.77 0.00 0.00 66.41 67.70 1rfu h THR 270 Cb 0.46 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.82 1rfu h THR 270 CO -0.36 0.00 0.63 -0.29 0.37 0.00 0.00 175.52 175.87 1rfu h ILE 271 N -1.08 0.58 0.49 3.11 6.09 -0.96 0.25 117.51 126.00 1rfu h ILE 271 Ca -0.10 -0.05 -0.02 0.00 -1.37 0.00 0.00 64.86 63.31 1rfu h ILE 271 Cb 0.78 0.42 0.00 0.00 0.47 0.00 0.00 36.82 38.50 1rfu h ILE 271 CO 0.17 0.03 -0.24 0.50 -3.07 0.00 0.00 178.15 175.54 1rfu h LYS 272 N 0.15 -0.64 -0.61 2.19 3.64 -1.11 0.14 116.57 120.33 1rfu h LYS 272 Ca 0.45 0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.98 1rfu h LYS 272 Cb 1.54 0.14 -0.08 0.00 -0.41 0.00 0.00 32.23 33.43 1rfu h LYS 272 CO -0.08 -0.42 0.21 0.00 -2.27 0.00 0.00 179.45 176.89 1rfu h ALA 274 N 1.43 -0.62 -0.03 0.00 0.00 -0.41 0.31 119.26 119.94 1rfu h ALA 274 Ca 0.31 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.24 1rfu h ALA 274 Cb 0.40 0.93 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 1rfu h ALA 274 CO -0.33 -0.96 0.05 0.87 0.00 0.00 0.00 179.25 178.88 1rfu h LYS 275 N -0.43 0.00 -0.07 0.00 1.57 -0.31 -1.80 116.57 115.54 1rfu h LYS 275 Ca 0.09 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1rfu h LYS 275 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1rfu h LYS 275 CO -0.51 0.00 -0.13 0.00 -0.57 0.00 0.00 179.45 178.24 1rfu h ALA 276 N 1.93 0.10 0.00 3.86 0.00 0.27 0.62 119.26 126.05 1rfu h ALA 276 Ca 0.02 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1rfu h ALA 276 Cb 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1rfu h ALA 276 CO -0.00 -0.00 0.00 0.87 0.00 0.00 0.00 179.25 180.12 1rfu h LYS 277 N -0.28 0.00 0.00 0.00 1.57 -0.43 -3.17 116.57 114.26 1rfu h LYS 277 Ca 0.00 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.44 1rfu h LYS 277 Cb 0.72 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.97 1rfu h LYS 277 CO 0.03 0.00 -2.15 -1.13 -0.57 0.00 0.00 179.45 175.63 1rfu n SER 278 N -2.57 0.29 0.00 0.86 3.41 -0.75 -5.08 113.62 109.79 1rfu n SER 278 Ca 0.02 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1rfu n SER 278 Cb 0.30 0.66 0.00 0.00 -0.26 0.00 0.00 64.21 64.91 1rfu n SER 278 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rfu n GLY 279 N 1.68 -0.14 3.77 5.00 0.00 0.20 -4.66 105.19 111.03 1rfu n GLY 279 Ca -0.27 -1.69 -0.40 0.00 0.00 0.00 0.00 46.02 43.67 1rfu n GLY 279 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rfu s GLU 280 N -2.94 3.76 -1.53 1.61 2.02 -1.26 -2.76 118.70 117.60 1rfu s GLU 280 Ca 0.00 2.32 -0.03 0.00 0.02 0.00 0.00 54.97 57.28 1rfu s GLU 280 Cb 0.00 -2.67 0.01 0.00 0.10 0.00 0.00 34.13 31.57 1rfu s GLU 280 CO 0.00 -0.72 0.29 0.41 0.02 0.00 0.00 175.26 175.26 1rfu n GLY 281 N 0.61 -0.51 2.88 -1.39 0.00 -1.26 -4.97 105.19 100.55 1rfu n GLY 281 Ca 0.05 0.06 -0.13 0.00 0.00 0.00 0.00 46.02 46.00 1rfu n GLY 281 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rfu s VAL 282 N -3.02 -0.02 -0.12 1.61 1.01 -1.11 -5.14 120.40 113.61 1rfu s VAL 282 Ca 0.16 0.07 -0.20 0.00 0.00 0.00 0.00 61.98 62.01 1rfu s VAL 282 Cb -0.08 -0.09 -0.04 0.00 0.00 0.00 0.00 36.38 36.18 1rfu s VAL 282 CO 0.20 0.03 0.58 -0.54 0.00 0.00 0.00 175.10 175.37 1rfu s LYS 283 N 0.41 4.35 0.30 2.72 -0.14 -1.26 -4.63 119.74 121.48 1rfu s LYS 283 Ca -0.03 0.62 -0.29 0.00 -1.36 0.00 0.00 55.97 54.90 1rfu s LYS 283 Cb -0.05 -3.47 -0.13 0.00 -1.68 0.00 0.00 37.83 32.51 1rfu s LYS 283 CO -0.01 0.06 1.30 -2.30 -0.76 0.00 0.00 175.35 173.63 1rfu n PRO 284 N 3.95 2.00 -2.57 -1.68 -0.02 -1.26 -4.98 135.00 130.44 1rfu n PRO 284 Ca -0.04 0.70 -0.28 0.00 -2.02 0.00 0.00 63.50 61.87 1rfu n PRO 284 Cb 0.51 -2.29 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 1rfu n PRO 284 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1rfu s SER 285 N -0.11 6.25 0.35 2.55 1.04 -1.26 -4.86 113.70 117.67 1rfu s SER 285 Ca 0.61 0.97 0.14 0.00 0.48 0.00 0.00 55.95 58.14 1rfu s SER 285 Cb -0.62 -2.26 0.98 0.00 0.10 0.00 0.00 66.02 64.23 1rfu s SER 285 CO 0.57 -0.61 1.75 1.55 0.98 0.00 0.00 173.24 177.48 1rfu h PRO 286 N 0.17 0.49 -0.69 4.02 0.13 -1.93 0.61 132.00 134.80 1rfu h PRO 286 Ca -0.47 -0.03 -0.08 0.00 -0.87 0.00 0.00 66.00 64.56 1rfu h PRO 286 Cb 1.20 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.20 1rfu h PRO 286 CO 0.62 0.32 0.13 0.00 -0.23 0.00 0.00 178.00 178.84 1rfu h ALA 287 N 1.68 0.91 0.00 -0.56 0.00 -1.96 -1.88 119.26 117.44 1rfu h ALA 287 Ca 0.62 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.26 1rfu h ALA 287 Cb 1.35 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1rfu h ALA 287 CO -0.39 0.67 0.00 1.04 0.00 0.00 0.00 179.25 180.57 1rfu n GLN 288 N -4.22 0.25 -0.18 0.00 6.02 0.19 -3.11 117.38 116.32 1rfu n GLN 288 Ca 0.05 0.05 0.11 0.00 -0.01 0.00 0.00 57.00 57.19 1rfu n GLN 288 Cb 0.29 -1.50 0.20 0.00 1.02 0.00 0.00 30.24 30.25 1rfu n GLN 288 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1rfu n LEU 289 N -1.36 3.35 -4.66 1.08 4.77 0.01 -4.19 117.00 116.00 1rfu n LEU 289 Ca 0.10 -1.53 -0.41 0.00 -0.03 0.00 0.00 56.01 54.14 1rfu n LEU 289 Cb 0.24 -0.24 0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1rfu n LEU 289 CO 0.21 0.73 0.74 -0.62 -1.33 0.00 0.00 177.39 177.13 1rfu n GLU 290 N 1.36 1.66 -2.08 3.23 -0.58 -1.16 -4.77 120.64 118.30 1rfu n GLU 290 Ca 0.18 0.59 -0.40 0.00 -0.42 0.00 0.00 57.16 57.11 1rfu n GLU 290 Cb 0.57 -2.21 -0.01 0.00 -0.57 0.00 0.00 31.44 29.22 1rfu n GLU 290 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1rfu s LEU 291 N -1.09 4.31 -1.20 -4.62 1.43 -1.26 -4.90 118.68 111.36 1rfu s LEU 291 Ca 0.62 2.68 -0.12 0.00 -1.03 0.00 0.00 54.13 56.28 1rfu s LEU 291 Cb -0.54 -3.78 0.20 0.00 0.03 0.00 0.00 46.19 42.10 1rfu s LEU 291 CO 0.58 -0.70 1.44 0.54 0.23 0.00 0.00 176.35 178.43 1rfu n ARG 292 N 0.44 3.49 0.00 1.70 1.74 -1.26 -4.75 116.66 118.02 1rfu n ARG 292 Ca 0.02 -3.96 0.00 0.00 -0.77 0.00 0.00 57.85 53.14 1rfu n ARG 292 Cb 0.43 -2.90 0.00 0.00 -1.02 0.00 0.00 32.46 28.96 1rfu n ARG 292 CO 0.00 0.00 0.00 -0.12 -1.52 0.00 0.00 177.63 175.99 1rfu n MET 293 N 4.60 0.00 -0.28 5.56 1.56 -1.26 -2.81 117.12 124.49 1rfu n MET 293 Ca 0.34 0.12 0.03 0.00 -0.27 0.00 0.00 57.70 57.91 1rfu n MET 293 Cb 0.41 -1.11 0.08 0.00 2.15 0.00 0.00 33.22 34.74 1rfu n MET 293 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 1rfu n VAL 294 N -0.85 -0.34 0.27 1.12 0.31 -1.26 0.21 118.33 117.78 1rfu n VAL 294 Ca 0.00 1.73 0.16 0.00 -0.01 0.00 0.00 64.34 66.21 1rfu n VAL 294 Cb 0.00 -2.35 0.89 0.00 -0.91 0.00 0.00 33.84 31.46 1rfu n VAL 294 CO 0.00 0.00 0.00 1.56 -1.32 0.00 0.00 176.83 177.07 1rfu h GLN 295 N 0.00 0.00 -0.70 5.55 7.50 -1.97 -1.36 115.11 124.14 1rfu h GLN 295 Ca 0.32 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.47 1rfu h GLN 295 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.04 1rfu h GLN 295 CO -0.76 0.00 0.00 0.43 -1.50 0.00 0.00 178.83 177.00 1rfu n SER 296 N -3.84 4.50 -0.28 1.46 7.64 0.56 -4.61 113.62 119.05 1rfu n SER 296 Ca -0.01 -2.27 -0.11 0.00 1.01 0.00 0.00 58.87 57.48 1rfu n SER 296 Cb 0.16 -0.55 -0.08 0.00 -1.01 0.00 0.00 64.21 62.73 1rfu n SER 296 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1rfu h LYS 297 N 4.25 -0.18 -0.79 1.43 3.64 -1.00 0.29 116.57 124.20 1rfu h LYS 297 Ca 0.00 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1rfu h LYS 297 Cb 1.29 0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 33.10 1rfu h LYS 297 CO 0.14 -0.12 0.50 0.87 -2.27 0.00 0.00 179.45 178.58 1rfu h LYS 298 N -0.19 0.94 -0.62 1.90 1.79 -1.84 -1.35 116.57 117.20 1rfu h LYS 298 Ca 0.14 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.52 1rfu h LYS 298 Cb 0.52 -0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 30.92 1rfu h LYS 298 CO -0.77 0.62 0.23 -0.44 -1.08 0.00 0.00 179.45 178.01 1rfu h ASP 299 N 0.97 0.84 -0.48 0.86 3.45 -1.53 -1.51 116.42 119.03 1rfu h ASP 299 Ca 0.32 -0.12 -0.07 0.00 0.43 0.00 0.00 57.03 57.59 1rfu h ASP 299 Cb 0.03 -0.22 -0.02 0.00 -0.56 0.00 0.00 39.33 38.56 1rfu h ASP 299 CO -0.12 0.77 0.01 0.40 -1.57 0.00 0.00 179.24 178.73 1rfu h ILE 300 N 0.90 1.26 -0.85 0.35 2.04 -0.30 -0.52 117.51 120.39 1rfu h ILE 300 Ca 0.21 -1.04 -0.00 0.00 1.00 0.00 0.00 64.86 65.03 1rfu h ILE 300 Cb 0.20 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.23 1rfu h ILE 300 CO -0.02 0.36 0.52 -0.33 0.00 0.00 0.00 178.15 178.69 1rfu h GLU 301 N 0.69 1.15 -1.79 2.37 5.08 -0.75 -3.38 114.58 117.95 1rfu h GLU 301 Ca 0.14 -0.10 -0.37 0.00 -1.00 0.00 0.00 59.36 58.02 1rfu h GLU 301 Cb 0.49 -0.24 -0.29 0.00 0.50 0.00 0.00 28.75 29.20 1rfu h GLU 301 CO 0.02 0.81 -0.72 -1.12 -1.00 0.00 0.00 179.01 177.00 1rfu s SER 302 N -6.07 0.43 -0.03 1.42 0.01 -0.62 -5.06 113.70 103.78 1rfu s SER 302 Ca -0.13 -2.09 -0.30 0.00 1.31 0.00 0.00 55.95 54.74 1rfu s SER 302 Cb 0.16 0.65 -0.03 0.00 0.21 0.00 0.00 66.02 67.01 1rfu s SER 302 CO 0.81 -0.17 1.08 -2.16 0.41 0.00 0.00 173.24 173.21 1rfu s PRO 303 N 0.83 4.45 0.41 12.44 0.04 -0.21 -4.65 135.00 148.32 1rfu s PRO 303 Ca 0.26 1.54 -0.25 0.00 0.04 0.00 0.00 61.00 62.58 1rfu s PRO 303 Cb -0.05 -3.48 -0.08 0.00 0.04 0.00 0.00 34.50 30.93 1rfu s PRO 303 CO -0.09 -0.25 1.20 -2.00 0.04 0.00 0.00 177.00 175.90 1rfu s GLU 304 N 1.57 3.98 -0.47 4.56 2.56 -1.26 -4.85 118.70 124.79 1rfu s GLU 304 Ca 0.53 1.90 -0.29 0.00 0.00 0.00 0.00 54.97 57.12 1rfu s GLU 304 Cb -0.23 -2.65 0.03 0.00 2.00 0.00 0.00 34.13 33.28 1rfu s GLU 304 CO 0.24 -0.40 1.17 0.42 -0.56 0.00 0.00 175.26 176.13 1rfu s ILE 305 N -1.39 4.17 -1.08 -3.70 1.09 -1.26 -4.63 121.20 114.40 1rfu s ILE 305 Ca 0.58 1.18 0.10 0.00 -1.10 0.00 0.00 60.65 61.41 1rfu s ILE 305 Cb -0.32 -4.57 0.15 0.00 -1.06 0.00 0.00 42.46 36.66 1rfu s ILE 305 CO 0.40 -1.00 0.97 1.33 -0.10 0.00 0.00 174.94 176.54 1rfu n VAL 306 N 6.88 0.38 -4.11 2.92 0.24 -1.26 -4.92 118.33 118.45 1rfu n VAL 306 Ca 0.12 -0.69 -0.21 0.00 -2.04 0.00 0.00 64.34 61.53 1rfu n VAL 306 Cb 0.49 0.94 -0.17 0.00 -1.47 0.00 0.00 33.84 33.63 1rfu n VAL 306 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 1rfu s VAL 307 N -0.89 0.56 -0.27 3.34 -7.23 -1.26 -5.06 120.40 109.60 1rfu s VAL 307 Ca 0.15 -0.11 -0.07 0.00 -1.81 0.00 0.00 61.98 60.14 1rfu s VAL 307 Cb 0.09 -0.60 -0.01 0.00 0.56 0.00 0.00 36.38 36.42 1rfu s VAL 307 CO 0.13 0.24 0.06 -1.10 -0.31 0.00 0.00 175.10 174.12 1rfu s GLN 308 N 1.09 3.38 0.23 4.82 -1.52 -1.26 -4.86 119.66 121.54 1rfu s GLN 308 Ca -0.08 -0.66 -0.30 0.00 -1.95 0.00 0.00 55.36 52.37 1rfu s GLN 308 Cb -0.14 -3.32 -0.09 0.00 -0.22 0.00 0.00 33.01 29.25 1rfu s GLN 308 CO -0.01 -0.30 1.23 0.00 -0.25 0.00 0.00 175.29 175.96 1rfu s ALA 309 N 1.55 3.47 -0.15 6.09 0.00 -1.26 -4.78 121.76 126.68 1rfu s ALA 309 Ca 0.05 1.04 -0.11 0.00 0.00 0.00 0.00 51.96 52.93 1rfu s ALA 309 Cb -0.16 -3.43 -0.05 0.00 0.00 0.00 0.00 23.12 19.49 1rfu s ALA 309 CO 0.02 -0.42 0.22 0.95 0.00 0.00 0.00 175.76 176.53 1rfu s THR 310 N -0.39 5.36 -0.82 0.00 -4.23 0.06 -4.95 115.64 110.67 1rfu s THR 310 Ca 0.52 0.38 -0.19 0.00 -1.18 0.00 0.00 61.69 61.22 1rfu s THR 310 Cb -0.35 -3.53 0.12 0.00 1.34 0.00 0.00 72.50 70.08 1rfu s THR 310 CO 0.41 0.48 1.01 -0.69 -0.54 0.00 0.00 174.62 175.29 1rfu s VAL 311 N -0.06 4.71 -1.89 2.29 1.01 -1.26 -1.10 120.40 124.10 1rfu s VAL 311 Ca 0.14 -1.30 0.00 0.00 0.00 0.00 0.00 61.98 60.82 1rfu s VAL 311 Cb -0.12 -4.70 0.00 0.00 0.00 0.00 0.00 36.38 31.55 1rfu s VAL 311 CO 0.03 -1.42 0.47 0.18 0.00 0.00 0.00 175.10 174.37