#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 3.99 -1.49 3.17 4.07 -1.26 -4.87 120.64 124.25 1rfu n GLU 2 Ca 0.00 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.81 1rfu n GLU 2 Cb 0.00 -0.49 0.17 0.00 -0.06 0.00 0.00 31.44 31.06 1rfu n GLU 2 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 1rfu s GLU 3 N -0.32 0.45 -0.33 5.31 2.02 -1.26 -4.99 118.70 119.58 1rfu s GLU 3 Ca 0.00 0.08 -0.22 0.00 0.02 0.00 0.00 54.97 54.85 1rfu s GLU 3 Cb 0.00 -1.78 0.00 0.00 0.10 0.00 0.00 34.13 32.45 1rfu s GLU 3 CO 0.00 -2.62 0.71 -1.21 0.02 0.00 0.00 175.26 172.15 1rfu s GLU 4 N -5.42 3.82 -0.10 1.61 0.41 -1.26 -4.98 118.70 112.77 1rfu s GLU 4 Ca 0.68 0.30 -0.02 0.00 -0.41 0.00 0.00 54.97 55.51 1rfu s GLU 4 Cb -0.12 -3.77 0.04 0.00 -1.78 0.00 0.00 34.13 28.50 1rfu s GLU 4 CO 0.54 -0.71 0.02 0.00 -0.49 0.00 0.00 175.26 174.62 1rfu s ARG 6 N 1.99 3.40 -0.10 0.00 3.52 -1.26 0.48 118.95 126.98 1rfu s ARG 6 Ca 0.03 -0.29 0.01 0.00 -0.13 0.00 0.00 55.73 55.35 1rfu s ARG 6 Cb -0.14 -3.04 0.02 0.00 -1.56 0.00 0.00 34.95 30.23 1rfu s ARG 6 CO -0.06 0.63 -0.10 0.08 -0.81 0.00 0.00 175.30 175.04 1rfu s VAL 7 N -0.63 1.11 -0.84 7.11 1.01 0.47 -1.05 120.40 127.57 1rfu s VAL 7 Ca 0.11 -0.39 -0.17 0.00 0.00 0.00 0.00 61.98 61.54 1rfu s VAL 7 Cb -0.12 -1.08 0.16 0.00 0.00 0.00 0.00 36.38 35.35 1rfu s VAL 7 CO 0.02 0.37 0.92 -0.22 0.00 0.00 0.00 175.10 176.19 1rfu s LEU 8 N 1.29 5.81 -0.23 3.92 2.96 -0.94 -0.22 118.68 131.26 1rfu s LEU 8 Ca -0.03 -2.23 -0.20 0.00 -0.22 0.00 0.00 54.13 51.45 1rfu s LEU 8 Cb -0.14 -2.31 -0.02 0.00 0.50 0.00 0.00 46.19 44.22 1rfu s LEU 8 CO -0.04 -0.87 0.62 -0.55 -1.32 0.00 0.00 176.35 174.19 1rfu s SER 9 N 3.02 6.62 -0.38 3.68 0.15 0.21 -2.08 113.70 124.91 1rfu s SER 9 Ca 0.24 0.75 -0.01 0.00 0.70 0.00 0.00 55.95 57.63 1rfu s SER 9 Cb -0.10 -2.34 0.10 0.00 -1.71 0.00 0.00 66.02 61.98 1rfu s SER 9 CO -0.07 -0.32 0.15 -0.63 1.20 0.00 0.00 173.24 173.57 1rfu s ILE 10 N 2.20 3.03 0.38 6.45 1.01 0.25 -1.34 121.20 133.18 1rfu s ILE 10 Ca 0.27 -2.04 -0.09 0.00 0.00 0.00 0.00 60.65 58.79 1rfu s ILE 10 Cb -0.16 -3.06 0.04 0.00 0.01 0.00 0.00 42.46 39.28 1rfu s ILE 10 CO 0.09 -0.60 0.66 -1.10 0.00 0.00 0.00 174.94 173.99 1rfu s GLN 11 N 1.10 2.16 0.71 2.79 -0.21 -0.75 -0.89 119.66 124.57 1rfu s GLN 11 Ca 0.07 -1.65 -0.14 0.00 0.02 0.00 0.00 55.36 53.66 1rfu s GLN 11 Cb -0.22 0.55 0.03 0.00 1.00 0.00 0.00 33.01 34.37 1rfu s GLN 11 CO -0.05 -0.97 1.14 -1.54 -2.12 0.00 0.00 175.29 171.75 1rfu s SER 12 N -3.17 4.65 -0.03 5.90 1.04 -1.22 -0.62 113.70 120.24 1rfu s SER 12 Ca 0.23 2.10 0.04 0.00 0.48 0.00 0.00 55.95 58.79 1rfu s SER 12 Cb -0.03 -2.56 -0.00 0.00 0.10 0.00 0.00 66.02 63.53 1rfu s SER 12 CO 0.17 -1.95 -0.13 -2.28 0.98 0.00 0.00 173.24 170.03 1rfu s HIS 13 N -2.31 1.29 -0.03 5.02 2.46 0.43 0.12 115.29 122.27 1rfu s HIS 13 Ca 0.69 -0.32 0.06 0.00 0.47 0.00 0.00 55.06 55.96 1rfu s HIS 13 Cb -0.23 -0.87 -0.01 0.00 -0.13 0.00 0.00 32.58 31.34 1rfu s HIS 13 CO 0.45 -0.10 -0.21 0.14 -2.47 0.00 0.00 174.74 172.55 1rfu s VAL 14 N -0.02 1.72 0.09 0.89 -7.23 -1.26 -1.00 120.40 113.59 1rfu s VAL 14 Ca -0.01 -0.91 -0.28 0.00 -1.81 0.00 0.00 61.98 58.98 1rfu s VAL 14 Cb -0.09 -1.44 -0.15 0.00 0.56 0.00 0.00 36.38 35.27 1rfu s VAL 14 CO 0.01 0.49 1.67 0.58 -0.31 0.00 0.00 175.10 177.54 1rfu h VAL 15 N 4.85 0.61 -3.36 1.32 2.07 -0.22 -3.42 116.25 118.10 1rfu h VAL 15 Ca -0.36 0.00 -0.67 0.00 0.82 0.00 0.00 66.70 66.49 1rfu h VAL 15 Cb 1.15 0.61 -0.14 0.00 -1.52 0.00 0.00 31.29 31.40 1rfu h VAL 15 CO 0.48 0.00 -0.64 -0.60 0.02 0.00 0.00 177.57 176.82 1rfu s ARG 16 N -6.11 2.79 0.00 1.57 3.52 -0.20 -5.04 118.95 115.47 1rfu s ARG 16 Ca -0.15 -0.61 0.00 0.00 -0.13 0.00 0.00 55.73 54.84 1rfu s ARG 16 Cb 0.06 -2.67 0.00 0.00 -1.56 0.00 0.00 34.95 30.77 1rfu s ARG 16 CO 0.64 0.63 0.00 0.41 -0.81 0.00 0.00 175.30 176.17 1rfu n GLY 17 N 1.41 0.98 3.00 8.12 0.00 -1.26 -4.53 105.19 112.92 1rfu n GLY 17 Ca -0.15 -2.01 -0.31 0.00 0.00 0.00 0.00 46.02 43.55 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 -1.74 3.36 -0.11 1.61 1.51 -1.26 -4.81 117.35 115.91 1rfu s TYR 18 Ca 0.00 -2.62 -0.30 0.00 -1.01 0.00 0.00 57.07 53.14 1rfu s TYR 18 Cb 0.00 -2.45 0.11 0.00 -0.11 0.00 0.00 41.96 39.50 1rfu s TYR 18 CO 0.00 -0.91 0.88 0.54 -1.11 0.00 0.00 175.55 174.95 1rfu s VAL 19 N 1.05 0.00 0.00 0.71 0.11 -1.26 -4.43 120.40 116.58 1rfu s VAL 19 Ca 0.04 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.09 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 -0.08 0.00 0.00 0.61 -3.33 0.00 0.00 175.10 172.30 1rfu n GLY 20 N 0.74 1.09 0.31 6.54 0.00 -1.26 -2.44 105.19 110.17 1rfu n GLY 20 Ca -0.13 -0.69 0.14 0.00 0.00 0.00 0.00 46.02 45.33 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 9.01 0.00 -0.50 1.61 -0.26 0.67 -0.80 115.58 125.30 1rfu h ASN 21 Ca 0.00 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1rfu h ASN 21 Cb 0.00 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.23 1rfu h ASN 21 CO 0.00 0.00 0.31 0.03 -1.06 0.00 0.00 177.43 176.71 1rfu h ARG 22 N 0.00 0.69 0.00 0.81 2.47 -1.63 0.98 114.38 117.70 1rfu h ARG 22 Ca 0.08 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.74 1rfu h ARG 22 Cb 0.35 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 1rfu h ARG 22 CO -0.00 0.48 -1.01 0.00 0.56 0.00 0.00 179.97 180.00 1rfu n ALA 23 N -2.46 2.72 -0.04 0.04 0.00 -0.36 -4.37 120.51 116.04 1rfu n ALA 23 Ca 0.05 -0.28 -0.13 0.00 0.00 0.00 0.00 53.44 53.08 1rfu n ALA 23 Cb 0.07 -1.08 -0.14 0.00 0.00 0.00 0.00 19.45 18.31 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 -2.08 1.33 -0.07 0.00 0.00 -0.86 -4.44 120.51 114.39 1rfu n ALA 24 Ca 0.00 -0.85 -0.14 0.00 0.00 0.00 0.00 53.44 52.45 1rfu n ALA 24 Cb 0.52 -0.62 -0.06 0.00 0.00 0.00 0.00 19.45 19.30 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 0.02 1.32 0.54 0.00 2.02 -1.02 -3.10 112.91 112.68 1rfu h THR 25 Ca -0.40 -1.59 -0.02 0.00 0.77 0.00 0.00 66.41 65.18 1rfu h THR 25 Cb 2.05 1.77 -0.01 0.00 -1.74 0.00 0.00 68.15 70.22 1rfu h THR 25 CO 0.06 0.50 -0.40 0.15 0.37 0.00 0.00 175.52 176.19 1rfu h PHE 26 N 0.37 -1.09 -0.27 3.16 3.57 -1.80 -0.42 116.94 120.46 1rfu h PHE 26 Ca 0.02 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.56 1rfu h PHE 26 Cb 0.97 0.40 -0.08 0.00 2.79 0.00 0.00 35.95 40.04 1rfu h PHE 26 CO 0.08 -0.59 -0.51 -1.35 -2.23 0.00 0.00 178.31 173.71 1rfu h PRO 27 N -0.92 -0.45 -0.82 6.41 0.11 -1.78 0.38 132.00 134.93 1rfu h PRO 27 Ca -0.06 0.03 0.10 0.00 0.11 0.00 0.00 66.00 66.18 1rfu h PRO 27 Cb 0.78 0.10 -0.06 0.00 0.11 0.00 0.00 31.00 31.93 1rfu h PRO 27 CO 0.02 -0.30 0.53 -0.07 -0.21 0.00 0.00 178.00 177.97 1rfu h LEU 28 N -0.47 0.66 0.42 2.35 3.38 -1.50 0.16 115.31 120.32 1rfu h LEU 28 Ca 0.07 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1rfu h LEU 28 Cb 0.63 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1rfu h LEU 28 CO -0.51 0.39 -0.20 1.56 0.09 0.00 0.00 178.44 179.77 1rfu h GLN 29 N 0.73 -0.54 0.00 1.13 4.20 0.90 -0.06 115.11 121.47 1rfu h GLN 29 Ca 0.38 0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.13 1rfu h GLN 29 Cb 0.49 0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.40 1rfu h GLN 29 CO -0.15 -0.27 0.00 1.33 -0.67 0.00 0.00 178.83 179.07 1rfu n VAL 30 N -5.16 1.53 0.57 -0.54 0.24 0.11 0.04 118.33 115.11 1rfu n VAL 30 Ca -0.08 0.60 0.12 0.00 -2.04 0.00 0.00 64.34 62.94 1rfu n VAL 30 Cb 0.27 -1.60 0.17 0.00 -1.47 0.00 0.00 33.84 31.21 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 -1.86 0.70 0.00 1.34 4.77 0.03 -4.89 117.00 117.09 1rfu n LEU 31 Ca -0.01 0.23 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1rfu n LEU 31 Cb 0.02 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 1rfu n LEU 31 CO 0.05 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.66 1rfu n GLY 32 N 1.34 1.35 3.81 -0.72 0.00 0.11 -1.14 105.19 109.92 1rfu n GLY 32 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.11 3.13 -0.30 1.61 0.40 -0.12 -4.78 117.98 115.82 1rfu s PHE 33 Ca 0.00 1.58 -0.18 0.00 -0.60 0.00 0.00 56.93 57.73 1rfu s PHE 33 Cb 0.00 -2.97 -0.02 0.00 0.51 0.00 0.00 43.02 40.54 1rfu s PHE 33 CO 0.00 -0.57 0.52 -2.00 0.70 0.00 0.00 175.22 173.87 1rfu s GLU 34 N -3.33 3.88 -0.09 0.44 2.56 0.18 -4.31 118.70 118.03 1rfu s GLU 34 Ca 0.65 0.12 -0.04 0.00 0.00 0.00 0.00 54.97 55.69 1rfu s GLU 34 Cb -0.13 -3.72 -0.04 0.00 2.00 0.00 0.00 34.13 32.24 1rfu s GLU 34 CO 0.19 -0.48 0.07 0.08 -0.56 0.00 0.00 175.26 174.56 1rfu s VAL 35 N 2.37 4.88 -0.22 3.70 1.01 -1.26 -0.39 120.40 130.48 1rfu s VAL 35 Ca 0.20 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.13 1rfu s VAL 35 Cb -0.15 -3.11 0.03 0.00 0.00 0.00 0.00 36.38 33.15 1rfu s VAL 35 CO 0.11 0.59 -0.13 -1.81 0.00 0.00 0.00 175.10 173.86 1rfu s ASP 36 N -1.03 3.86 -0.17 3.32 1.11 0.69 -4.93 116.67 119.53 1rfu s ASP 36 Ca 0.15 -0.91 -0.04 0.00 0.18 0.00 0.00 52.55 51.94 1rfu s ASP 36 Cb -0.12 -1.56 -0.02 0.00 1.07 0.00 0.00 42.92 42.29 1rfu s ASP 36 CO 0.04 -0.09 -0.04 0.00 1.18 0.00 0.00 175.17 176.26 1rfu s ALA 37 N 1.25 2.94 -0.18 5.23 0.00 -1.26 -0.62 121.76 129.12 1rfu s ALA 37 Ca -0.00 -0.89 -0.01 0.00 0.00 0.00 0.00 51.96 51.06 1rfu s ALA 37 Cb -0.16 -1.57 0.00 0.00 0.00 0.00 0.00 23.12 21.39 1rfu s ALA 37 CO -0.08 0.09 -0.13 0.08 0.00 0.00 0.00 175.76 175.71 1rfu s VAL 38 N 0.59 2.68 -0.46 0.00 1.01 -0.45 -5.01 120.40 118.76 1rfu s VAL 38 Ca -0.03 -0.74 -0.18 0.00 0.00 0.00 0.00 61.98 61.03 1rfu s VAL 38 Cb -0.14 -2.16 0.04 0.00 0.00 0.00 0.00 36.38 34.12 1rfu s VAL 38 CO 0.03 0.49 0.52 0.20 0.00 0.00 0.00 175.10 176.34 1rfu s ASN 39 N 1.20 6.21 0.58 3.32 0.01 -1.25 -1.81 114.94 123.21 1rfu s ASN 39 Ca 0.02 -0.82 0.31 0.00 -0.71 0.00 0.00 52.86 51.66 1rfu s ASN 39 Cb -0.14 -2.25 1.81 0.00 0.41 0.00 0.00 41.25 41.08 1rfu s ASN 39 CO -0.06 -0.73 2.22 0.77 -1.51 0.00 0.00 177.10 177.80 1rfu h SER 40 N 8.85 0.00 -5.05 -1.22 4.64 -1.16 -3.45 113.55 116.16 1rfu h SER 40 Ca -0.27 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.01 1rfu h SER 40 Cb 1.10 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.07 1rfu h SER 40 CO 0.88 0.03 0.03 0.68 -0.87 0.00 0.00 176.83 177.58 1rfu s VAL 41 N -4.43 0.04 -0.26 0.95 -7.23 -1.26 -1.89 120.40 106.32 1rfu s VAL 41 Ca -0.04 -0.39 -0.03 0.00 -1.81 0.00 0.00 61.98 59.71 1rfu s VAL 41 Cb 0.14 -1.13 0.09 0.00 0.56 0.00 0.00 36.38 36.04 1rfu s VAL 41 CO 0.54 -0.20 0.09 -1.58 -0.31 0.00 0.00 175.10 173.64 1rfu s GLN 42 N -3.79 0.43 0.42 4.82 0.74 0.12 -0.43 119.66 121.97 1rfu s GLN 42 Ca 0.03 -0.61 0.07 0.00 0.05 0.00 0.00 55.36 54.90 1rfu s GLN 42 Cb 0.01 -1.70 -0.04 0.00 1.10 0.00 0.00 33.01 32.38 1rfu s GLN 42 CO -0.12 -0.88 0.22 -0.06 -0.55 0.00 0.00 175.29 173.90 1rfu s PHE 43 N 1.91 2.58 0.09 1.67 0.08 -0.17 -0.50 117.98 123.64 1rfu s PHE 43 Ca 0.06 -0.59 -0.17 0.00 0.12 0.00 0.00 56.93 56.35 1rfu s PHE 43 Cb -0.17 -1.99 -0.07 0.00 -0.57 0.00 0.00 43.02 40.22 1rfu s PHE 43 CO -0.24 0.11 1.49 0.66 -0.10 0.00 0.00 175.22 177.14 1rfu h SER 44 N 1.33 0.56 -0.53 1.36 4.64 -1.22 0.18 113.55 119.86 1rfu h SER 44 Ca -0.42 -0.37 0.00 0.00 -0.47 0.00 0.00 61.79 60.53 1rfu h SER 44 Cb 1.26 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1rfu h SER 44 CO 0.67 0.79 0.00 -0.46 -0.87 0.00 0.00 176.83 176.97 1rfu n ASN 45 N -4.50 0.00 -4.86 4.97 0.23 -1.26 -1.04 115.26 108.80 1rfu n ASN 45 Ca -0.03 -0.40 -0.35 0.00 -0.53 0.00 0.00 54.58 53.28 1rfu n ASN 45 Cb 0.31 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 37.96 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 -4.06 3.58 -0.46 -2.53 -3.43 -1.26 -4.89 115.29 102.24 1rfu s HIS 46 Ca 0.00 0.81 0.01 0.00 -0.80 0.00 0.00 55.06 55.08 1rfu s HIS 46 Cb 0.00 -2.18 0.06 0.00 -1.43 0.00 0.00 32.58 29.03 1rfu s HIS 46 CO 0.00 0.51 0.80 0.25 -2.00 0.00 0.00 174.74 174.30 1rfu n THR 47 N 0.89 0.98 0.29 -5.38 -2.24 -1.26 -0.58 114.28 106.98 1rfu n THR 47 Ca -0.08 0.52 0.18 0.00 -2.27 0.00 0.00 64.05 62.41 1rfu n THR 47 Cb 0.52 -1.52 0.84 0.00 -2.10 0.00 0.00 70.33 68.07 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 -1.72 3.38 0.00 -1.93 -3.43 103.07 99.37 1rfu h GLY 48 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 1rfu h GLY 48 CO 0.00 0.00 0.38 -0.19 0.00 0.00 0.00 176.54 176.73 1rfu s TYR 49 N -3.87 3.19 0.26 5.60 2.02 0.26 -4.91 117.35 119.90 1rfu s TYR 49 Ca -0.01 1.49 -0.02 0.00 -0.37 0.00 0.00 57.07 58.15 1rfu s TYR 49 Cb 0.11 -2.91 0.48 0.00 -0.40 0.00 0.00 41.96 39.23 1rfu s TYR 49 CO 0.51 -0.80 1.78 0.77 -1.57 0.00 0.00 175.55 176.24 1rfu h SER 50 N 0.60 0.59 -3.67 2.29 0.02 -1.89 -3.41 113.55 108.08 1rfu h SER 50 Ca -0.47 0.07 -0.54 0.00 -0.84 0.00 0.00 61.79 60.02 1rfu h SER 50 Cb 1.20 -0.03 -0.19 0.00 0.14 0.00 0.00 62.40 63.53 1rfu h SER 50 CO 0.59 0.29 -0.79 -1.00 -1.14 0.00 0.00 176.83 174.78 1rfu s HIS 51 N -5.99 1.84 -0.28 3.45 3.76 -1.26 -5.13 115.29 111.67 1rfu s HIS 51 Ca -0.12 -0.45 -0.17 0.00 -0.15 0.00 0.00 55.06 54.17 1rfu s HIS 51 Cb 0.21 -0.94 0.11 0.00 1.11 0.00 0.00 32.58 33.07 1rfu s HIS 51 CO 0.78 0.31 0.82 1.67 -0.85 0.00 0.00 174.74 177.48 1rfu s TRP 52 N -1.83 -0.82 0.24 1.40 1.48 -1.26 -4.87 118.94 113.29 1rfu s TRP 52 Ca 0.14 1.68 0.04 0.00 -1.06 0.00 0.00 56.10 56.90 1rfu s TRP 52 Cb -0.07 0.49 -0.05 0.00 -1.16 0.00 0.00 33.47 32.67 1rfu s TRP 52 CO 0.06 -0.41 -0.01 0.15 -4.06 0.00 0.00 176.95 172.69 1rfu s LYS 53 N 1.36 1.39 0.00 3.25 1.02 -1.26 -4.98 119.74 120.53 1rfu s LYS 53 Ca -0.08 -1.71 0.00 0.00 0.02 0.00 0.00 55.97 54.20 1rfu s LYS 53 Cb -0.04 -0.72 0.00 0.00 -0.52 0.00 0.00 37.83 36.54 1rfu s LYS 53 CO -0.16 -0.08 0.00 0.41 -0.92 0.00 0.00 175.35 174.60 1rfu n GLY 54 N -0.46 -1.68 3.57 -3.33 0.00 -1.26 -0.69 105.19 101.34 1rfu n GLY 54 Ca -0.05 -1.41 -0.24 0.00 0.00 0.00 0.00 46.02 44.32 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 -1.90 1.97 0.16 1.61 0.00 0.34 -4.94 119.66 116.91 1rfu s GLN 55 Ca 0.00 -1.71 0.06 0.00 -0.00 0.00 0.00 55.36 53.71 1rfu s GLN 55 Cb 0.00 -1.90 -0.04 0.00 0.00 0.00 0.00 33.01 31.07 1rfu s GLN 55 CO 0.00 0.24 -0.13 0.08 0.00 0.00 0.00 175.29 175.49 1rfu s VAL 56 N -2.49 1.41 0.11 3.63 1.01 -1.26 -0.70 120.40 122.11 1rfu s VAL 56 Ca 0.32 -2.03 0.05 0.00 0.00 0.00 0.00 61.98 60.32 1rfu s VAL 56 Cb -0.03 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.47 1rfu s VAL 56 CO 0.18 -0.61 0.00 -0.76 0.00 0.00 0.00 175.10 173.91 1rfu s LEU 57 N -3.05 3.45 0.35 3.92 1.02 -0.79 -4.99 118.68 118.59 1rfu s LEU 57 Ca 0.17 -0.21 0.09 0.00 0.02 0.00 0.00 54.13 54.19 1rfu s LEU 57 Cb -0.00 -2.16 -0.06 0.00 0.02 0.00 0.00 46.19 43.98 1rfu s LEU 57 CO 0.03 0.16 -0.02 0.54 0.02 0.00 0.00 176.35 177.08 1rfu s ASN 58 N -2.44 3.98 0.39 2.29 2.20 -1.26 -4.78 114.94 115.32 1rfu s ASN 58 Ca 0.26 -1.11 0.28 0.00 -0.94 0.00 0.00 52.86 51.35 1rfu s ASN 58 Cb -0.11 -0.44 1.33 0.00 -2.00 0.00 0.00 41.25 40.03 1rfu s ASN 58 CO 0.18 -0.26 1.42 -1.54 -2.94 0.00 0.00 177.10 173.96 1rfu n SER 59 N -0.90 0.21 -0.05 3.54 3.41 -1.26 0.67 113.62 119.23 1rfu n SER 59 Ca -0.04 1.29 -0.15 0.00 -0.26 0.00 0.00 58.87 59.71 1rfu n SER 59 Cb 0.63 -0.63 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 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 0.68 -0.36 4.04 3.45 -1.96 -0.71 116.42 121.56 1rfu h ASP 60 Ca 0.79 -0.57 -0.06 0.00 0.43 0.00 0.00 57.03 57.62 1rfu h ASP 60 Cb 2.49 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 41.05 1rfu h ASP 60 CO -0.46 1.13 0.01 -0.33 -1.57 0.00 0.00 179.24 178.02 1rfu h GLU 61 N 0.27 0.72 -0.34 3.56 5.08 -0.15 -1.15 114.58 122.57 1rfu h GLU 61 Ca -0.00 -0.18 -0.14 0.00 -1.00 0.00 0.00 59.36 58.04 1rfu h GLU 61 Cb 1.03 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.19 1rfu h GLU 61 CO 0.09 0.72 -0.35 1.25 -1.00 0.00 0.00 179.01 179.73 1rfu h LEU 62 N 0.68 0.90 -0.20 1.33 5.85 -1.18 -3.08 115.31 119.61 1rfu h LEU 62 Ca 0.14 -0.47 0.05 0.00 0.84 0.00 0.00 57.88 58.43 1rfu h LEU 62 Cb 0.40 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.13 1rfu h LEU 62 CO 0.01 1.18 -0.11 -0.61 -0.34 0.00 0.00 178.44 178.58 1rfu h GLN 63 N 0.62 -0.09 -0.63 1.25 5.75 -0.72 -0.60 115.11 120.70 1rfu h GLN 63 Ca 0.05 0.01 0.08 0.00 -0.15 0.00 0.00 58.65 58.64 1rfu h GLN 63 Cb 0.94 0.02 -0.11 0.00 1.07 0.00 0.00 27.48 29.40 1rfu h GLN 63 CO 0.09 -0.06 -0.48 0.93 -2.65 0.00 0.00 178.83 176.66 1rfu h GLU 64 N -0.09 -0.21 0.44 1.69 5.08 -1.18 1.12 114.58 121.43 1rfu h GLU 64 Ca 0.11 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1rfu h GLU 64 Cb 0.25 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1rfu h GLU 64 CO -0.25 -0.14 -0.33 -0.07 -1.00 0.00 0.00 179.01 177.21 1rfu h LEU 65 N -0.22 -0.87 -0.49 1.33 3.38 -1.35 0.33 115.31 117.42 1rfu h LEU 65 Ca 0.16 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.27 1rfu h LEU 65 Cb 0.55 0.28 -0.06 0.00 0.09 0.00 0.00 40.66 41.52 1rfu h LEU 65 CO -0.73 -0.50 0.17 0.22 0.09 0.00 0.00 178.44 177.69 1rfu h TYR 66 N -0.76 0.29 -0.61 1.13 3.20 -0.22 0.13 116.97 120.12 1rfu h TYR 66 Ca -0.04 0.03 0.06 0.00 3.14 0.00 0.00 58.73 61.91 1rfu h TYR 66 Cb 0.65 -0.06 -0.05 0.00 1.54 0.00 0.00 36.73 38.81 1rfu h TYR 66 CO -0.15 0.09 0.32 -0.44 -1.64 0.00 0.00 178.16 176.34 1rfu h ASP 67 N 0.34 0.46 -0.10 -2.11 5.19 0.16 1.14 116.42 121.51 1rfu h ASP 67 Ca 0.24 0.03 0.04 0.00 -0.62 0.00 0.00 57.03 56.72 1rfu h ASP 67 Cb 0.26 -0.05 -0.06 0.00 0.18 0.00 0.00 39.33 39.65 1rfu h ASP 67 CO -0.25 0.30 -0.36 1.23 -3.12 0.00 0.00 179.24 177.05 1rfu h GLY 68 N 0.60 -0.55 0.98 2.75 0.00 0.21 1.23 103.07 108.28 1rfu h GLY 68 Ca 0.28 0.44 -0.00 0.00 0.00 0.00 0.00 47.33 48.04 1rfu h GLY 68 CO -0.19 -0.23 0.25 1.41 0.00 0.00 0.00 176.54 177.79 1rfu h LEU 69 N -0.45 0.52 0.16 3.11 3.38 -0.09 -2.80 115.31 119.14 1rfu h LEU 69 Ca 0.08 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1rfu h LEU 69 Cb 0.58 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1rfu h LEU 69 CO -0.35 0.44 -0.44 0.50 0.09 0.00 0.00 178.44 178.68 1rfu h LYS 70 N 0.56 -0.65 -1.44 1.13 1.63 0.26 -1.54 116.57 116.53 1rfu h LYS 70 Ca 0.15 0.04 0.43 0.00 -0.85 0.00 0.00 60.65 60.43 1rfu h LYS 70 Cb 0.02 0.15 -0.09 0.00 -0.60 0.00 0.00 32.23 31.70 1rfu h LYS 70 CO -0.03 -0.43 0.99 -0.07 -3.45 0.00 0.00 179.45 176.46 1rfu h LEU 71 N -0.67 0.14 -0.79 5.20 3.38 0.17 0.70 115.31 123.44 1rfu h LEU 71 Ca -0.01 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1rfu h LEU 71 Cb 0.66 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1rfu h LEU 71 CO -0.21 -0.06 -0.28 0.59 0.09 0.00 0.00 178.44 178.57 1rfu n ASN 72 N -4.36 1.51 -1.93 -0.43 3.02 -0.67 -4.95 115.26 107.44 1rfu n ASN 72 Ca 0.35 -1.22 -0.13 0.00 -0.03 0.00 0.00 54.58 53.56 1rfu n ASN 72 Cb 1.49 0.22 0.03 0.00 -0.61 0.00 0.00 39.78 40.91 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 -0.25 -1.27 -0.42 3.10 8.25 0.24 -4.91 115.22 119.96 1rfu n HIS 73 Ca 0.12 0.38 0.05 0.00 -0.26 0.00 0.00 57.72 58.01 1rfu n HIS 73 Cb 0.40 -3.06 0.09 0.00 1.12 0.00 0.00 29.99 28.54 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 -3.94 1.38 -1.91 1.59 0.24 -0.92 -4.80 118.33 109.97 1rfu n VAL 74 Ca -0.04 -1.43 -0.41 0.00 -2.04 0.00 0.00 64.34 60.42 1rfu n VAL 74 Cb 0.56 0.22 -0.01 0.00 -1.47 0.00 0.00 33.84 33.14 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 -0.55 6.32 -3.75 -1.34 6.94 -1.25 -4.83 115.26 116.79 1rfu n ASN 75 Ca 0.09 -2.95 -0.25 0.00 -0.02 0.00 0.00 54.58 51.45 1rfu n ASN 75 Cb 0.46 -1.50 -0.17 0.00 -2.36 0.00 0.00 39.78 36.20 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 0.96 0.60 0.45 -3.83 -0.21 -1.26 -5.00 119.66 111.37 1rfu s GLN 76 Ca 0.51 -0.10 0.03 0.00 0.02 0.00 0.00 55.36 55.82 1rfu s GLN 76 Cb 0.15 -1.44 -0.03 0.00 1.00 0.00 0.00 33.01 32.69 1rfu s GLN 76 CO -0.05 -0.45 0.06 0.71 -2.12 0.00 0.00 175.29 173.44 1rfu s TYR 77 N 1.94 1.88 0.00 0.91 1.51 -1.26 -4.94 117.35 117.39 1rfu s TYR 77 Ca 0.03 -1.07 0.00 0.00 -1.01 0.00 0.00 57.07 55.01 1rfu s TYR 77 Cb -0.14 -1.41 0.00 0.00 -0.11 0.00 0.00 41.96 40.29 1rfu s TYR 77 CO -0.06 0.01 0.00 -0.25 -1.11 0.00 0.00 175.55 174.14 1rfu n ASP 78 N -1.23 4.83 -4.17 2.29 8.00 -0.22 -4.82 116.55 121.24 1rfu n ASP 78 Ca -0.12 0.00 -0.10 0.00 0.71 0.00 0.00 54.79 55.28 1rfu n ASP 78 Cb 0.66 0.71 -0.10 0.00 -0.02 0.00 0.00 41.12 42.37 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 -1.95 0.94 -0.06 1.24 1.51 -0.87 -1.76 117.35 116.39 1rfu s TYR 79 Ca 0.00 -1.24 -0.04 0.00 -1.01 0.00 0.00 57.07 54.78 1rfu s TYR 79 Cb 0.00 -0.52 0.03 0.00 -0.11 0.00 0.00 41.96 41.36 1rfu s TYR 79 CO 0.00 -0.51 0.15 0.08 -1.11 0.00 0.00 175.55 174.15 1rfu s VAL 80 N -4.03 -0.03 -0.07 0.71 1.01 -0.04 -2.22 120.40 115.72 1rfu s VAL 80 Ca 0.27 0.12 0.01 0.00 0.00 0.00 0.00 61.98 62.37 1rfu s VAL 80 Cb 0.07 -0.23 0.02 0.00 0.00 0.00 0.00 36.38 36.24 1rfu s VAL 80 CO 0.04 0.05 -0.07 -0.22 0.00 0.00 0.00 175.10 174.89 1rfu s LEU 81 N 0.79 1.30 0.04 3.92 2.96 -0.88 0.45 118.68 127.26 1rfu s LEU 81 Ca -0.06 -0.22 0.04 0.00 -0.22 0.00 0.00 54.13 53.68 1rfu s LEU 81 Cb -0.08 -0.66 -0.02 0.00 0.50 0.00 0.00 46.19 45.93 1rfu s LEU 81 CO -0.04 -0.06 -0.13 0.42 -1.32 0.00 0.00 176.35 175.22 1rfu s THR 82 N 1.16 1.01 0.00 3.68 -4.23 -1.07 0.84 115.64 117.03 1rfu s THR 82 Ca -0.06 -1.01 0.00 0.00 -1.18 0.00 0.00 61.69 59.44 1rfu s THR 82 Cb -0.14 -0.94 0.00 0.00 1.34 0.00 0.00 72.50 72.76 1rfu s THR 82 CO -0.01 -0.07 0.00 0.61 -0.54 0.00 0.00 174.62 174.61 1rfu n GLY 83 N 1.82 4.58 3.65 3.99 0.00 -0.07 -2.10 105.19 117.05 1rfu n GLY 83 Ca -0.19 -0.54 -0.61 0.00 0.00 0.00 0.00 46.02 44.68 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 1.46 -3.66 1.61 9.36 -1.26 -4.75 117.16 119.91 1rfu n TYR 84 Ca 0.00 0.94 -0.14 0.00 3.32 0.00 0.00 57.90 62.03 1rfu n TYR 84 Cb 0.00 -2.25 -0.07 0.00 -0.63 0.00 0.00 39.34 36.40 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 1.91 0.05 0.00 2.97 2.01 -1.26 -3.44 115.64 117.87 1rfu s THR 85 Ca 0.97 -0.39 0.00 0.00 0.31 0.00 0.00 61.69 62.58 1rfu s THR 85 Cb -1.28 -0.89 0.00 0.00 0.01 0.00 0.00 72.50 70.33 1rfu s THR 85 CO 0.67 -0.22 0.31 0.54 -0.69 0.00 0.00 174.62 175.23 1rfu n ARG 86 N 0.69 1.29 -3.71 4.92 1.74 -1.26 -4.87 116.66 115.45 1rfu n ARG 86 Ca -0.19 -0.31 -0.38 0.00 -0.77 0.00 0.00 57.85 56.20 1rfu n ARG 86 Cb 0.59 -0.79 -0.12 0.00 -1.02 0.00 0.00 32.46 31.11 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 -0.27 5.32 0.23 0.55 3.68 -1.26 -4.63 116.67 120.28 1rfu s ASP 87 Ca 0.00 -0.68 -0.08 0.00 2.13 0.00 0.00 52.55 53.92 1rfu s ASP 87 Cb 0.00 -1.93 0.21 0.00 -1.45 0.00 0.00 42.92 39.75 1rfu s ASP 87 CO 0.00 -0.21 1.89 0.50 0.13 0.00 0.00 175.17 177.47 1rfu h LYS 88 N 8.29 1.21 -0.28 4.34 3.64 -1.93 0.12 116.57 131.95 1rfu h LYS 88 Ca -0.31 -0.10 0.02 0.00 -1.27 0.00 0.00 60.65 59.00 1rfu h LYS 88 Cb 1.13 -0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 32.66 1rfu h LYS 88 CO 0.61 0.83 0.12 0.77 -2.27 0.00 0.00 179.45 179.51 1rfu h SER 89 N 1.23 0.16 0.34 4.20 0.02 -1.96 0.74 113.55 118.28 1rfu h SER 89 Ca 0.32 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1rfu h SER 89 Cb -0.08 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 1rfu h SER 89 CO -0.06 0.13 -0.36 0.15 -1.14 0.00 0.00 176.83 175.54 1rfu h PHE 90 N 0.26 -0.98 -0.27 3.45 3.57 -1.63 -1.79 116.94 119.54 1rfu h PHE 90 Ca 0.12 0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.69 1rfu h PHE 90 Cb 0.07 0.38 -0.06 0.00 2.79 0.00 0.00 35.95 39.13 1rfu h PHE 90 CO -0.11 -0.50 -0.10 1.25 -2.23 0.00 0.00 178.31 176.61 1rfu h LEU 91 N -0.74 -0.36 -0.08 0.59 5.85 -0.48 -1.42 115.31 118.68 1rfu h LEU 91 Ca -0.02 0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.83 1rfu h LEU 91 Cb 0.67 0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.85 1rfu h LEU 91 CO -0.07 -0.13 -0.39 0.00 -0.34 0.00 0.00 178.44 177.50 1rfu h ALA 92 N 1.19 -0.56 -0.91 1.25 0.00 -0.68 -1.50 119.26 118.05 1rfu h ALA 92 Ca 0.14 -0.01 0.14 0.00 0.00 0.00 0.00 54.91 55.17 1rfu h ALA 92 Cb 0.26 0.72 -0.09 0.00 0.00 0.00 0.00 17.79 18.68 1rfu h ALA 92 CO -0.31 -0.90 0.52 1.98 0.00 0.00 0.00 179.25 180.54 1rfu h MET 93 N -0.50 0.75 -0.86 0.00 1.85 -1.04 0.16 114.93 115.30 1rfu h MET 93 Ca 0.07 -0.05 0.16 0.00 -0.61 0.00 0.00 59.70 59.27 1rfu h MET 93 Cb 0.62 -0.17 -0.10 0.00 0.43 0.00 0.00 31.60 32.38 1rfu h MET 93 CO -0.35 0.50 0.43 0.28 -0.40 0.00 0.00 176.91 177.37 1rfu h VAL 94 N 0.78 0.69 0.63 -5.77 2.07 -0.21 0.85 116.25 115.28 1rfu h VAL 94 Ca 0.48 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.77 1rfu h VAL 94 Cb 0.59 0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1rfu h VAL 94 CO -0.32 0.11 -0.36 0.58 0.02 0.00 0.00 177.57 177.61 1rfu h VAL 95 N 0.59 0.27 -0.68 2.57 2.07 -0.33 0.28 116.25 121.02 1rfu h VAL 95 Ca 0.48 0.00 0.15 0.00 0.82 0.00 0.00 66.70 68.15 1rfu h VAL 95 Cb 0.72 0.27 -0.12 0.00 -1.52 0.00 0.00 31.29 30.65 1rfu h VAL 95 CO -0.39 0.00 -0.01 0.44 0.02 0.00 0.00 177.57 177.63 1rfu h ASP 96 N -0.92 -0.34 0.13 0.57 3.45 -0.89 0.15 116.42 118.57 1rfu h ASP 96 Ca -0.08 0.18 0.02 0.00 0.43 0.00 0.00 57.03 57.58 1rfu h ASP 96 Cb 0.73 0.32 -0.04 0.00 -0.56 0.00 0.00 39.33 39.78 1rfu h ASP 96 CO 0.10 -0.15 -0.32 0.40 -1.57 0.00 0.00 179.24 177.70 1rfu h ILE 97 N 0.10 0.33 -0.70 0.35 2.04 -0.38 -0.25 117.51 119.00 1rfu h ILE 97 Ca 0.36 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.38 1rfu h ILE 97 Cb 0.61 0.33 -0.11 0.00 -0.74 0.00 0.00 36.82 36.90 1rfu h ILE 97 CO -0.61 0.00 0.09 0.58 0.00 0.00 0.00 178.15 178.21 1rfu h VAL 98 N -0.54 0.47 -0.52 1.67 2.07 0.22 -0.81 116.25 118.81 1rfu h VAL 98 Ca 0.03 -0.06 -0.08 0.00 0.82 0.00 0.00 66.70 67.40 1rfu h VAL 98 Cb 0.57 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1rfu h VAL 98 CO -0.18 0.03 -0.01 1.56 0.02 0.00 0.00 177.57 178.99 1rfu h GLN 99 N 0.18 0.92 -0.93 1.57 4.20 -0.35 0.61 115.11 121.32 1rfu h GLN 99 Ca 0.38 -0.30 0.10 0.00 0.06 0.00 0.00 58.65 58.90 1rfu h GLN 99 Cb 0.65 -0.08 -0.07 0.00 0.30 0.00 0.00 27.48 28.28 1rfu h GLN 99 CO -0.55 0.95 0.60 1.49 -0.67 0.00 0.00 178.83 180.64 1rfu h GLU 100 N 0.79 0.91 -0.17 1.46 4.81 0.31 -1.03 114.58 121.65 1rfu h GLU 100 Ca 0.15 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.21 1rfu h GLU 100 Cb 0.54 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1rfu h GLU 100 CO 0.03 0.60 -0.34 -0.07 -0.73 0.00 0.00 179.01 178.50 1rfu h LEU 101 N 0.93 0.60 -1.98 1.64 3.38 -0.71 -2.78 115.31 116.40 1rfu h LEU 101 Ca 0.43 -0.55 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1rfu h LEU 101 Cb 0.41 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1rfu h LEU 101 CO -0.20 1.04 0.03 0.11 0.09 0.00 0.00 178.44 179.52 1rfu h LYS 102 N 0.19 0.03 0.13 1.13 1.57 -0.10 0.26 116.57 119.77 1rfu h LYS 102 Ca 0.01 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1rfu h LYS 102 Cb 0.94 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.24 1rfu h LYS 102 CO 0.08 0.02 -0.06 1.96 -0.57 0.00 0.00 179.45 180.87 1rfu h GLN 103 N 0.03 -0.17 -0.50 3.15 7.50 -1.12 -2.48 115.11 121.52 1rfu h GLN 103 Ca 0.02 0.01 0.02 0.00 0.50 0.00 0.00 58.65 59.20 1rfu h GLN 103 Cb 0.04 0.04 -0.03 0.00 0.05 0.00 0.00 27.48 27.58 1rfu h GLN 103 CO -0.00 0.18 0.30 1.96 -1.50 0.00 0.00 178.83 179.77 1rfu h GLN 104 N -0.55 0.59 -4.06 1.46 4.20 -1.10 -3.37 115.11 112.28 1rfu h GLN 104 Ca -0.02 -0.04 -0.62 0.00 0.06 0.00 0.00 58.65 58.04 1rfu h GLN 104 Cb 0.43 -0.13 -0.40 0.00 0.30 0.00 0.00 27.48 27.68 1rfu h GLN 104 CO 0.03 0.39 -0.74 1.21 -0.67 0.00 0.00 178.83 179.05 1rfu s ASN 105 N -5.59 4.35 0.56 1.46 3.04 0.83 -4.97 114.94 114.62 1rfu s ASN 105 Ca -0.13 -1.85 0.33 0.00 0.04 0.00 0.00 52.86 51.25 1rfu s ASN 105 Cb 0.12 -1.20 1.64 0.00 -1.54 0.00 0.00 41.25 40.27 1rfu s ASN 105 CO 0.74 -0.40 2.11 -0.65 -3.04 0.00 0.00 177.10 175.86 1rfu h PRO 106 N 7.88 0.00 -0.00 0.43 0.11 -1.62 -2.30 132.00 136.50 1rfu h PRO 106 Ca -0.10 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.01 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 0.49 0.07 -0.05 0.54 -0.21 0.00 0.00 178.00 178.84 1rfu n ARG 107 N -3.36 0.98 -1.97 1.05 1.74 -1.26 -4.91 116.66 108.92 1rfu n ARG 107 Ca -0.01 -0.30 -0.40 0.00 -0.77 0.00 0.00 57.85 56.37 1rfu n ARG 107 Cb 0.22 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.17 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 -2.23 4.21 -0.12 0.55 0.20 -0.86 -4.97 118.68 115.45 1rfu s LEU 108 Ca 0.37 2.75 0.01 0.00 0.69 0.00 0.00 54.13 57.95 1rfu s LEU 108 Cb 0.21 -3.88 -0.01 0.00 -0.43 0.00 0.00 46.19 42.07 1rfu s LEU 108 CO 0.41 -0.92 -0.16 -0.69 -0.29 0.00 0.00 176.35 174.70 1rfu s VAL 109 N -1.23 2.77 -0.29 1.68 1.01 -0.73 -4.99 120.40 118.63 1rfu s VAL 109 Ca 0.57 -0.77 -0.05 0.00 0.00 0.00 0.00 61.98 61.74 1rfu s VAL 109 Cb -0.40 -2.13 0.02 0.00 0.00 0.00 0.00 36.38 33.87 1rfu s VAL 109 CO 0.52 0.54 0.03 -0.47 0.00 0.00 0.00 175.10 175.72 1rfu s TYR 110 N 0.28 3.16 -0.23 5.22 6.04 -1.26 -0.86 117.35 129.69 1rfu s TYR 110 Ca -0.12 -1.33 -0.16 0.00 0.04 0.00 0.00 57.07 55.50 1rfu s TYR 110 Cb -0.16 -2.18 -0.04 0.00 -1.04 0.00 0.00 41.96 38.54 1rfu s TYR 110 CO 0.06 -0.67 0.42 0.08 -1.54 0.00 0.00 175.55 173.90 1rfu s VAL 111 N 1.40 5.16 -0.20 3.14 1.01 0.17 -1.54 120.40 129.55 1rfu s VAL 111 Ca 0.00 0.71 -0.00 0.00 0.00 0.00 0.00 61.98 62.69 1rfu s VAL 111 Cb -0.18 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.48 1rfu s VAL 111 CO 0.00 0.19 -0.15 0.00 0.00 0.00 0.00 175.10 175.14 1rfu s ASP 113 N 1.32 6.17 -0.82 0.00 3.68 -0.89 -2.35 116.67 123.78 1rfu s ASP 113 Ca 0.04 -1.53 -0.19 0.00 2.13 0.00 0.00 52.55 52.99 1rfu s ASP 113 Cb -0.14 -2.21 -0.14 0.00 -1.45 0.00 0.00 42.92 38.99 1rfu s ASP 113 CO -0.09 -0.79 1.96 -0.81 0.13 0.00 0.00 175.17 175.57 1rfu n PRO 114 N 5.34 1.63 -2.33 4.34 -0.04 -1.26 -4.39 135.00 138.29 1rfu n PRO 114 Ca -0.13 -1.82 -0.43 0.00 -0.04 0.00 0.00 63.50 61.08 1rfu n PRO 114 Cb 0.42 -2.87 -0.02 0.00 -0.04 0.00 0.00 33.50 30.99 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 4.71 3.92 0.00 0.52 1.01 -1.26 -4.70 120.40 124.60 1rfu s VAL 115 Ca 0.54 0.97 0.00 0.00 0.00 0.00 0.00 61.98 63.50 1rfu s VAL 115 Cb 0.14 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.39 1rfu s VAL 115 CO 0.09 -0.64 0.00 0.23 0.00 0.00 0.00 175.10 174.78 1rfu n MET 116 N 7.88 0.00 -3.94 2.72 2.81 -1.26 -4.70 117.12 120.63 1rfu n MET 116 Ca 0.17 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.94 1rfu n MET 116 Cb 0.47 -0.30 -0.00 0.00 -0.71 0.00 0.00 33.22 32.68 1rfu n MET 116 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1rfu s GLY 117 N -4.00 0.98 -0.06 3.03 0.00 -1.26 0.64 107.32 106.65 1rfu s GLY 117 Ca 0.00 -1.17 0.04 0.00 0.00 0.00 0.00 44.72 43.59 1rfu s GLY 117 CO 0.00 -0.66 -0.19 -0.35 0.00 0.00 0.00 173.10 171.90 1rfu s ASP 118 N -3.17 3.59 -0.94 1.64 2.15 -1.05 -4.69 116.67 114.20 1rfu s ASP 118 Ca 0.23 -0.36 -0.01 0.00 0.43 0.00 0.00 52.55 52.84 1rfu s ASP 118 Cb -0.03 -0.92 0.33 0.00 -0.30 0.00 0.00 42.92 42.01 1rfu s ASP 118 CO 0.17 0.28 1.91 0.00 -0.17 0.00 0.00 175.17 177.35 1rfu n GLN 119 N 2.75 4.16 -4.04 4.34 10.64 -1.26 -3.12 117.38 130.85 1rfu n GLN 119 Ca -0.17 -4.13 -0.31 0.00 -1.83 0.00 0.00 57.00 50.56 1rfu n GLN 119 Cb 0.52 -2.37 -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 -4.21 2.94 -1.19 2.61 1.70 -1.26 -4.57 118.95 114.98 1rfu s ARG 120 Ca 0.45 -0.66 -0.03 0.00 -0.47 0.00 0.00 55.73 55.02 1rfu s ARG 120 Cb 0.31 -2.76 0.00 0.00 -0.57 0.00 0.00 34.95 31.93 1rfu s ARG 120 CO -0.27 0.57 0.43 0.09 -1.08 0.00 0.00 175.30 175.05 1rfu n ASN 121 N 0.47 -5.00 0.00 -2.89 4.13 -1.26 -4.44 115.26 106.28 1rfu n ASN 121 Ca -0.08 -0.20 0.00 0.00 1.68 0.00 0.00 54.58 55.97 1rfu n ASN 121 Cb 0.52 -3.87 0.00 0.00 -1.54 0.00 0.00 39.78 34.89 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 -1.32 1.03 3.90 7.41 0.00 -1.26 -4.95 105.19 110.00 1rfu n GLY 122 Ca -0.09 -1.03 -0.31 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 3.34 0.00 1.61 -1.05 -1.26 -4.93 118.70 116.41 1rfu s GLU 123 Ca 0.00 -0.49 0.00 0.00 -0.15 0.00 0.00 54.97 54.33 1rfu s GLU 123 Cb 0.00 -2.98 0.00 0.00 -0.44 0.00 0.00 34.13 30.71 1rfu s GLU 123 CO 0.00 0.60 0.00 0.41 0.95 0.00 0.00 175.26 177.22 1rfu n GLY 124 N 0.30 3.93 3.13 -3.83 0.00 -1.26 -4.70 105.19 102.77 1rfu n GLY 124 Ca -0.06 -2.07 -0.11 0.00 0.00 0.00 0.00 46.02 43.79 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 -0.29 0.50 4.61 0.00 -1.18 -5.03 121.76 118.37 1rfu s ALA 125 Ca 0.00 -0.25 -0.19 0.00 0.00 0.00 0.00 51.96 51.51 1rfu s ALA 125 Cb 0.00 0.18 -0.08 0.00 0.00 0.00 0.00 23.12 23.22 1rfu s ALA 125 CO 0.00 -0.27 1.03 -1.64 0.00 0.00 0.00 175.76 174.88 1rfu s MET 126 N -1.95 3.76 -0.29 0.00 -1.94 -1.26 -2.52 119.30 115.10 1rfu s MET 126 Ca -0.10 1.31 0.09 0.00 -1.71 0.00 0.00 55.69 55.27 1rfu s MET 126 Cb -0.04 -2.09 0.51 0.00 2.01 0.00 0.00 34.83 35.22 1rfu s MET 126 CO -0.01 -0.45 1.48 2.48 -0.01 0.00 0.00 175.02 178.50 1rfu n TYR 127 N -1.12 1.14 -3.93 -0.03 0.18 0.21 -4.90 117.16 108.70 1rfu n TYR 127 Ca 0.09 -1.60 -0.09 0.00 1.88 0.00 0.00 57.90 58.18 1rfu n TYR 127 Cb 0.53 -0.50 -0.08 0.00 -0.38 0.00 0.00 39.34 38.91 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 -3.25 0.15 0.47 -3.48 -7.23 -1.17 -4.98 120.40 100.91 1rfu s VAL 128 Ca 0.45 -1.36 -0.24 0.00 -1.81 0.00 0.00 61.98 59.01 1rfu s VAL 128 Cb 0.41 -1.47 -0.08 0.00 0.56 0.00 0.00 36.38 35.80 1rfu s VAL 128 CO 0.00 -0.67 1.32 -2.65 -0.31 0.00 0.00 175.10 172.80 1rfu n PRO 129 N -0.05 1.92 -0.21 4.82 -0.02 -1.26 -4.91 135.00 135.29 1rfu n PRO 129 Ca -0.13 0.69 0.04 0.00 -2.02 0.00 0.00 63.50 62.08 1rfu n PRO 129 Cb 0.62 -2.49 0.30 0.00 -0.02 0.00 0.00 33.50 31.92 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 1.91 0.76 0.00 2.55 5.19 -1.98 -2.98 116.42 121.88 1rfu h ASP 130 Ca -0.49 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.91 1rfu h ASP 130 Cb 1.29 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.64 1rfu h ASP 130 CO 0.59 0.51 0.06 -0.90 -3.12 0.00 0.00 179.24 176.38 1rfu n ASP 131 N -4.47 0.00 -0.01 6.45 5.68 -1.26 -0.98 116.55 121.96 1rfu n ASP 131 Ca 0.11 0.17 -0.09 0.00 -0.50 0.00 0.00 54.79 54.48 1rfu n ASP 131 Cb 0.17 -0.17 -0.14 0.00 -1.14 0.00 0.00 41.12 39.85 1rfu n ASP 131 CO 0.00 0.00 0.00 -0.07 -1.33 0.00 0.00 177.20 175.80 1rfu h LEU 132 N 0.00 0.01 -0.21 -2.12 3.38 -1.91 -3.34 115.31 111.13 1rfu h LEU 132 Ca 0.00 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.01 1rfu h LEU 132 Cb 0.12 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 1rfu h LEU 132 CO 0.00 1.02 -0.20 0.25 0.09 0.00 0.00 178.44 179.59 1rfu h LEU 133 N 0.00 -0.64 -0.27 1.67 5.85 -1.29 0.30 115.31 120.94 1rfu h LEU 133 Ca -0.26 0.12 0.04 0.00 0.84 0.00 0.00 57.88 58.61 1rfu h LEU 133 Cb 1.99 0.31 -0.03 0.00 0.37 0.00 0.00 40.66 43.30 1rfu h LEU 133 CO 0.08 -0.24 0.05 1.55 -0.34 0.00 0.00 178.44 179.55 1rfu h PRO 134 N -0.22 0.15 -0.21 5.25 0.13 -1.73 0.28 132.00 135.66 1rfu h PRO 134 Ca 0.12 -0.01 0.03 0.00 -0.87 0.00 0.00 66.00 65.28 1rfu h PRO 134 Cb 0.41 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 31.47 1rfu h PRO 134 CO -0.33 0.10 0.03 0.28 -0.23 0.00 0.00 178.00 177.85 1rfu h VAL 135 N 0.16 0.89 -0.51 1.56 2.07 -1.47 0.32 116.25 119.27 1rfu h VAL 135 Ca 0.12 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.59 1rfu h VAL 135 Cb 0.12 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1rfu h VAL 135 CO -0.16 0.02 0.27 1.88 0.02 0.00 0.00 177.57 179.60 1rfu h TYR 136 N 0.11 0.70 -0.69 1.57 -1.99 -0.19 0.12 116.97 116.59 1rfu h TYR 136 Ca 0.10 -0.02 -0.06 0.00 2.00 0.00 0.00 58.73 60.74 1rfu h TYR 136 Cb 0.10 -0.22 -0.03 0.00 2.00 0.00 0.00 36.73 38.58 1rfu h TYR 136 CO -0.16 0.53 0.19 -0.09 -0.00 0.00 0.00 178.16 178.63 1rfu h ARG 137 N 0.67 1.09 0.00 4.88 2.43 0.28 -1.26 114.38 122.47 1rfu h ARG 137 Ca 0.18 -0.25 -0.25 0.00 -0.81 0.00 0.00 59.98 58.85 1rfu h ARG 137 Cb 0.06 -0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 29.42 1rfu h ARG 137 CO -0.03 0.96 -2.06 0.39 -1.51 0.00 0.00 179.97 177.72 1rfu n GLU 138 N -4.28 1.22 -0.07 0.20 1.02 0.11 -4.63 120.64 114.21 1rfu n GLU 138 Ca 0.05 -0.03 -0.08 0.00 -0.02 0.00 0.00 57.16 57.08 1rfu n GLU 138 Cb 0.24 -1.42 -0.09 0.00 -0.02 0.00 0.00 31.44 30.16 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 -2.52 1.51 -0.05 3.49 4.76 0.33 -4.66 118.16 121.02 1rfu n LYS 139 Ca -0.23 0.02 -0.02 0.00 -2.87 0.00 0.00 58.31 55.22 1rfu n LYS 139 Cb 0.93 -1.31 -0.01 0.00 -1.84 0.00 0.00 35.03 32.80 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 0.00 -0.96 -0.18 2.07 -1.25 -3.37 116.25 112.56 1rfu h VAL 140 Ca -0.34 -0.73 0.23 0.00 0.82 0.00 0.00 66.70 66.68 1rfu h VAL 140 Cb 1.68 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 31.33 1rfu h VAL 140 CO -0.00 0.00 0.52 0.58 0.02 0.00 0.00 177.57 178.69 1rfu h VAL 141 N -0.73 0.54 -0.66 2.57 2.07 -1.49 -0.56 116.25 117.99 1rfu h VAL 141 Ca 0.00 -0.18 0.14 0.00 0.82 0.00 0.00 66.70 67.47 1rfu h VAL 141 Cb 0.22 -0.04 -0.12 0.00 -1.52 0.00 0.00 31.29 29.83 1rfu h VAL 141 CO 0.00 0.10 -0.07 -0.65 0.02 0.00 0.00 177.57 176.97 1rfu h PRO 142 N 0.54 0.06 -0.03 1.57 0.11 -1.75 -0.88 132.00 131.62 1rfu h PRO 142 Ca 0.60 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.71 1rfu h PRO 142 Cb 1.12 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1rfu h PRO 142 CO -0.48 0.04 0.00 1.55 -0.21 0.00 0.00 178.00 178.90 1rfu n VAL 143 N -5.37 0.02 -2.97 3.15 3.14 -0.26 -4.30 118.33 111.74 1rfu n VAL 143 Ca 0.09 -0.16 -0.39 0.00 -2.96 0.00 0.00 64.34 60.93 1rfu n VAL 143 Cb 0.37 0.08 -0.06 0.00 -1.06 0.00 0.00 33.84 33.17 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 -1.98 3.42 -0.11 1.55 0.00 -0.33 -4.87 121.76 119.45 1rfu s ALA 144 Ca 0.40 0.36 0.22 0.00 0.00 0.00 0.00 51.96 52.94 1rfu s ALA 144 Cb 0.20 -2.96 -0.21 0.00 0.00 0.00 0.00 23.12 20.15 1rfu s ALA 144 CO 0.33 0.29 0.68 -0.25 0.00 0.00 0.00 175.76 176.81 1rfu n ASP 145 N 1.40 0.32 -3.67 0.00 8.00 -0.59 -1.70 116.55 120.32 1rfu n ASP 145 Ca -0.05 0.12 -0.09 0.00 0.71 0.00 0.00 54.79 55.49 1rfu n ASP 145 Cb 0.49 1.39 -0.10 0.00 -0.02 0.00 0.00 41.12 42.88 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 -3.44 -0.46 0.08 0.53 1.01 -1.09 -2.92 121.20 114.91 1rfu s ILE 146 Ca -0.05 0.15 0.08 0.00 0.00 0.00 0.00 60.65 60.82 1rfu s ILE 146 Cb 0.12 -0.65 -0.04 0.00 0.01 0.00 0.00 42.46 41.90 1rfu s ILE 146 CO 0.86 0.06 -0.17 0.27 0.00 0.00 0.00 174.94 175.97 1rfu s ILE 147 N 2.25 2.92 -0.51 2.92 -4.36 -0.94 0.81 121.20 124.29 1rfu s ILE 147 Ca -0.04 -1.33 0.08 0.00 -0.26 0.00 0.00 60.65 59.10 1rfu s ILE 147 Cb -0.11 -2.30 0.33 0.00 1.25 0.00 0.00 42.46 41.63 1rfu s ILE 147 CO -0.13 0.20 0.83 0.35 0.24 0.00 0.00 174.94 176.43 1rfu n THR 148 N 1.09 1.73 -1.43 8.37 -2.24 -0.99 -1.70 114.28 119.11 1rfu n THR 148 Ca -0.16 -5.13 -0.30 0.00 -2.27 0.00 0.00 64.05 56.19 1rfu n THR 148 Cb 0.52 -1.15 0.10 0.00 -2.10 0.00 0.00 70.33 67.70 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 -2.89 2.06 0.22 -0.78 0.04 -0.91 -4.53 135.00 128.20 1rfu s PRO 149 Ca 0.44 0.81 -0.15 0.00 0.04 0.00 0.00 61.00 62.14 1rfu s PRO 149 Cb 0.28 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 32.84 1rfu s PRO 149 CO -0.11 -1.68 0.63 1.21 0.04 0.00 0.00 177.00 177.09 1rfu s ASN 150 N -3.70 6.83 0.15 6.66 3.04 -1.26 -2.13 114.94 124.52 1rfu s ASN 150 Ca 0.61 1.17 -0.24 0.00 0.04 0.00 0.00 52.86 54.44 1rfu s ASN 150 Cb -0.16 -2.32 0.03 0.00 -1.54 0.00 0.00 41.25 37.26 1rfu s ASN 150 CO 0.55 -0.02 1.61 -0.61 -3.04 0.00 0.00 177.10 175.59 1rfu h GLN 151 N 3.04 -0.29 -0.08 0.43 4.15 -1.91 2.22 115.11 122.66 1rfu h GLN 151 Ca -0.48 0.02 0.01 0.00 0.77 0.00 0.00 58.65 58.97 1rfu h GLN 151 Cb 1.18 0.07 -0.03 0.00 0.21 0.00 0.00 27.48 28.91 1rfu h GLN 151 CO 0.66 -0.19 -0.20 0.35 -1.93 0.00 0.00 178.83 177.52 1rfu h PHE 152 N -0.30 -0.60 -0.55 3.99 3.57 -1.93 0.38 116.94 121.50 1rfu h PHE 152 Ca 0.14 0.02 0.11 0.00 3.53 0.00 0.00 57.97 61.77 1rfu h PHE 152 Cb 0.53 0.27 -0.09 0.00 2.79 0.00 0.00 35.95 39.45 1rfu h PHE 152 CO -0.47 -0.19 0.03 0.93 -2.23 0.00 0.00 178.31 176.38 1rfu h GLU 153 N -0.19 0.15 -0.46 1.11 5.08 -1.61 0.34 114.58 119.00 1rfu h GLU 153 Ca 0.02 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.46 1rfu h GLU 153 Cb 0.24 -0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.37 1rfu h GLU 153 CO -0.18 0.10 -0.09 0.00 -1.00 0.00 0.00 179.01 177.84 1rfu h ALA 154 N 1.48 0.33 0.27 3.43 0.00 0.44 0.28 119.26 125.49 1rfu h ALA 154 Ca 0.28 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.36 1rfu h ALA 154 Cb 0.43 0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1rfu h ALA 154 CO -0.43 -0.44 -0.19 0.93 0.00 0.00 0.00 179.25 179.12 1rfu h GLU 155 N 0.02 -0.44 -1.08 0.00 5.08 0.14 -2.31 114.58 116.00 1rfu h GLU 155 Ca 0.22 0.03 0.33 0.00 -1.00 0.00 0.00 59.36 58.94 1rfu h GLU 155 Cb 0.34 0.10 -0.13 0.00 0.50 0.00 0.00 28.75 29.56 1rfu h GLU 155 CO -0.46 -0.29 0.66 1.25 -1.00 0.00 0.00 179.01 179.17 1rfu h LEU 156 N -0.46 0.45 0.16 1.33 5.85 0.20 0.17 115.31 123.02 1rfu h LEU 156 Ca -0.02 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 1rfu h LEU 156 Cb 0.39 0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.52 1rfu h LEU 156 CO 0.01 -0.07 -0.08 -0.07 -0.34 0.00 0.00 178.44 177.89 1rfu h LEU 157 N 0.31 -0.18 0.00 2.25 3.38 -0.14 -3.25 115.31 117.68 1rfu h LEU 157 Ca 0.71 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.46 1rfu h LEU 157 Cb 1.79 0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.59 1rfu h LEU 157 CO -0.47 0.38 0.00 0.35 0.09 0.00 0.00 178.44 178.79 1rfu n THR 158 N -4.90 0.00 -0.88 0.22 -2.24 -0.91 -4.85 114.28 100.72 1rfu n THR 158 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1rfu n THR 158 Cb 0.20 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.81 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 0.15 0.19 0.00 3.38 0.00 0.56 -4.96 105.19 104.52 1rfu n GLY 159 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.79 3.40 -3.72 1.61 1.74 -1.08 -4.96 116.66 112.85 1rfu n ARG 160 Ca 0.00 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.96 1rfu n ARG 160 Cb 0.23 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.56 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 2.37 0.32 0.11 5.56 2.20 -1.26 -4.46 119.74 124.58 1rfu s LYS 161 Ca 0.00 0.63 -0.18 0.00 -0.36 0.00 0.00 55.97 56.07 1rfu s LYS 161 Cb 0.00 -0.03 -0.07 0.00 -1.51 0.00 0.00 37.83 36.22 1rfu s LYS 161 CO 0.00 -0.14 0.57 0.42 -0.36 0.00 0.00 175.35 175.83 1rfu s ILE 162 N 1.16 4.77 0.00 5.43 -1.09 -1.26 -4.92 121.20 125.29 1rfu s ILE 162 Ca -0.08 1.08 0.00 0.00 -2.23 0.00 0.00 60.65 59.42 1rfu s ILE 162 Cb -0.08 -3.84 0.00 0.00 -1.58 0.00 0.00 42.46 36.96 1rfu s ILE 162 CO -0.09 0.43 0.59 0.00 -1.23 0.00 0.00 174.94 174.64 1rfu n HIS 163 N 1.35 0.00 -3.53 3.97 1.44 -1.26 -5.04 115.22 112.14 1rfu n HIS 163 Ca -0.08 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.54 1rfu n HIS 163 Cb 0.51 0.08 -0.03 0.00 0.12 0.00 0.00 29.99 30.67 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 -0.34 -0.34 0.16 4.39 1.04 -1.26 -4.99 113.70 112.35 1rfu s SER 164 Ca 0.00 0.11 -0.16 0.00 0.48 0.00 0.00 55.95 56.38 1rfu s SER 164 Cb 0.00 0.33 0.07 0.00 0.10 0.00 0.00 66.02 66.52 1rfu s SER 164 CO 0.00 -0.50 1.73 -0.61 0.98 0.00 0.00 173.24 174.84 1rfu h GLN 165 N 2.15 0.18 -0.00 4.02 4.15 -1.99 -1.37 115.11 122.26 1rfu h GLN 165 Ca -0.19 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.22 1rfu h GLN 165 Cb 1.21 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.86 1rfu h GLN 165 CO 0.30 0.12 -0.01 1.49 -1.93 0.00 0.00 178.83 178.80 1rfu h GLU 166 N 0.19 -0.01 -0.65 1.69 4.81 -1.98 0.38 114.58 119.00 1rfu h GLU 166 Ca 0.17 0.00 0.27 0.00 -0.13 0.00 0.00 59.36 59.67 1rfu h GLU 166 Cb 0.19 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 29.46 1rfu h GLU 166 CO -0.23 -0.01 0.34 0.39 -0.73 0.00 0.00 179.01 178.78 1rfu n GLU 167 N -2.61 -0.04 0.05 1.92 -0.58 -1.03 0.11 120.64 118.46 1rfu n GLU 167 Ca -0.00 0.90 -0.02 0.00 -0.42 0.00 0.00 57.16 57.62 1rfu n GLU 167 Cb 0.01 -1.62 -0.01 0.00 -0.57 0.00 0.00 31.44 29.25 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 1.31 -0.73 -1.41 0.62 0.00 0.73 -2.81 119.26 116.96 1rfu h ALA 168 Ca 0.55 -0.03 0.47 0.00 0.00 0.00 0.00 54.91 55.90 1rfu h ALA 168 Cb 1.45 0.05 -0.13 0.00 0.00 0.00 0.00 17.79 19.16 1rfu h ALA 168 CO -0.51 -0.72 0.92 -0.07 0.00 0.00 0.00 179.25 178.87 1rfu h LEU 169 N -0.17 0.20 0.47 0.00 3.38 0.40 0.24 115.31 119.82 1rfu h LEU 169 Ca -0.01 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1rfu h LEU 169 Cb 0.10 0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1rfu h LEU 169 CO 0.02 -0.22 -0.23 -0.33 0.09 0.00 0.00 178.44 177.78 1rfu h GLU 170 N 0.03 -0.61 -1.07 1.13 5.08 -0.72 -2.36 114.58 116.06 1rfu h GLU 170 Ca 0.87 0.04 0.29 0.00 -1.00 0.00 0.00 59.36 59.56 1rfu h GLU 170 Cb 2.82 0.14 -0.11 0.00 0.50 0.00 0.00 28.75 32.10 1rfu h GLU 170 CO -0.42 -0.30 0.66 0.28 -1.00 0.00 0.00 179.01 178.23 1rfu h VAL 171 N -0.91 0.44 -0.62 3.13 2.07 -0.27 1.34 116.25 121.44 1rfu h VAL 171 Ca -0.06 -0.13 -0.09 0.00 0.82 0.00 0.00 66.70 67.23 1rfu h VAL 171 Cb 0.58 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1rfu h VAL 171 CO 0.11 0.07 0.02 0.24 0.02 0.00 0.00 177.57 178.02 1rfu h MET 172 N 0.38 1.07 -0.43 1.57 2.86 -1.31 1.04 114.93 120.12 1rfu h MET 172 Ca 0.66 -0.33 -0.01 0.00 -2.06 0.00 0.00 59.70 57.95 1rfu h MET 172 Cb 1.62 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 33.15 1rfu h MET 172 CO -0.40 1.03 0.21 -0.44 1.06 0.00 0.00 176.91 178.37 1rfu h ASP 173 N 0.98 0.55 -0.54 1.22 3.45 0.20 0.30 116.42 122.59 1rfu h ASP 173 Ca 0.18 -0.12 -0.03 0.00 0.43 0.00 0.00 57.03 57.49 1rfu h ASP 173 Cb 0.54 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 39.14 1rfu h ASP 173 CO 0.03 0.52 0.24 0.24 -1.57 0.00 0.00 179.24 178.69 1rfu h MET 174 N 0.55 0.79 0.81 3.56 2.86 0.40 -0.40 114.93 123.50 1rfu h MET 174 Ca 0.15 -0.13 -0.04 0.00 -2.06 0.00 0.00 59.70 57.62 1rfu h MET 174 Cb 0.11 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.64 1rfu h MET 174 CO -0.02 0.67 -0.44 -0.07 1.06 0.00 0.00 176.91 178.11 1rfu h LEU 175 N 0.73 -1.08 -0.87 1.22 3.38 0.16 -1.98 115.31 116.86 1rfu h LEU 175 Ca 0.18 0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.29 1rfu h LEU 175 Cb 0.16 0.30 -0.12 0.00 0.09 0.00 0.00 40.66 41.09 1rfu h LEU 175 CO -0.02 -0.72 -0.54 0.45 0.09 0.00 0.00 178.44 177.70 1rfu h HIS 176 N -1.16 -1.70 -1.62 1.13 3.86 -0.30 0.78 115.15 116.14 1rfu h HIS 176 Ca -0.11 0.11 0.49 0.00 -1.16 0.00 0.00 60.37 59.70 1rfu h HIS 176 Cb 0.91 0.86 -0.09 0.00 1.06 0.00 0.00 27.41 30.15 1rfu h HIS 176 CO -0.06 -0.40 1.13 1.03 0.86 0.00 0.00 177.93 180.49 1rfu h SER 177 N -0.08 0.09 1.73 2.45 0.87 -0.52 1.98 113.55 120.06 1rfu h SER 177 Ca 0.17 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1rfu h SER 177 Cb 0.48 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1rfu h SER 177 CO -0.87 -0.07 0.00 0.24 -0.53 0.00 0.00 176.83 175.60 1rfu h MET 178 N 0.03 0.00 0.00 2.24 2.07 0.13 -3.48 114.93 115.92 1rfu h MET 178 Ca 0.84 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 58.47 1rfu h MET 178 Cb 3.11 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 32.84 1rfu h MET 178 CO -0.16 0.00 0.00 0.41 1.07 0.00 0.00 176.91 178.23 1rfu n GLY 179 N 1.07 0.10 3.53 8.32 0.00 0.67 -3.51 105.19 115.38 1rfu n GLY 179 Ca 0.04 0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 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 0.92 -0.00 1.61 -0.04 -0.69 -4.87 135.00 131.92 1rfu n PRO 180 Ca 0.00 0.33 0.07 0.00 -0.04 0.00 0.00 63.50 63.86 1rfu n PRO 180 Cb 0.00 -1.76 -0.10 0.00 -0.04 0.00 0.00 33.50 31.60 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 0.86 1.05 -4.03 3.54 8.00 -1.16 -3.93 116.55 120.87 1rfu n ASP 181 Ca 0.11 -0.48 -0.29 0.00 0.71 0.00 0.00 54.79 54.83 1rfu n ASP 181 Cb 0.39 1.30 -0.17 0.00 -0.02 0.00 0.00 41.12 42.63 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 -2.68 1.54 -0.03 -3.53 2.01 -1.15 -0.27 115.64 111.53 1rfu s THR 182 Ca 0.01 -0.63 0.03 0.00 0.31 0.00 0.00 61.69 61.41 1rfu s THR 182 Cb 0.11 -1.43 -0.00 0.00 0.01 0.00 0.00 72.50 71.18 1rfu s THR 182 CO 0.62 0.45 -0.12 -0.69 -0.69 0.00 0.00 174.62 174.19 1rfu s VAL 183 N 1.31 1.01 -0.03 3.82 1.01 0.12 -2.20 120.40 125.44 1rfu s VAL 183 Ca 0.01 -0.50 -0.00 0.00 0.00 0.00 0.00 61.98 61.49 1rfu s VAL 183 Cb -0.14 -0.88 0.03 0.00 0.00 0.00 0.00 36.38 35.39 1rfu s VAL 183 CO -0.07 0.30 0.02 -0.69 0.00 0.00 0.00 175.10 174.66 1rfu s VAL 184 N 0.07 0.08 -0.55 2.92 1.01 -0.69 0.37 120.40 123.63 1rfu s VAL 184 Ca -0.02 0.19 -0.17 0.00 0.00 0.00 0.00 61.98 61.98 1rfu s VAL 184 Cb -0.09 -0.23 0.11 0.00 0.00 0.00 0.00 36.38 36.17 1rfu s VAL 184 CO 0.01 0.15 0.56 -0.63 0.00 0.00 0.00 175.10 175.19 1rfu s ILE 185 N 1.38 5.07 0.64 2.22 -1.09 0.13 -2.15 121.20 127.40 1rfu s ILE 185 Ca -0.05 -1.23 0.24 0.00 -2.23 0.00 0.00 60.65 57.38 1rfu s ILE 185 Cb -0.13 -4.36 0.24 0.00 -1.58 0.00 0.00 42.46 36.63 1rfu s ILE 185 CO -0.03 -0.91 1.73 0.71 -1.23 0.00 0.00 174.94 175.22 1rfu h THR 186 N 5.88 0.00 0.00 2.92 1.35 -1.70 -2.22 112.91 119.14 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 0.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 1rfu h THR 186 CO 1.03 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.76 1rfu n SER 187 N -2.78 0.00 -3.64 5.36 3.41 -1.25 -4.57 113.62 110.16 1rfu n SER 187 Ca -0.02 0.00 -0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1rfu n SER 187 Cb 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 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 -0.05 0.45 4.04 1.04 -0.74 -3.05 113.70 115.38 1rfu s SER 188 Ca 0.00 -0.31 0.25 0.00 0.48 0.00 0.00 55.95 56.37 1rfu s SER 188 Cb 0.00 0.29 0.52 0.00 0.10 0.00 0.00 66.02 66.93 1rfu s SER 188 CO 0.00 -0.55 1.67 0.78 0.98 0.00 0.00 173.24 176.13 1rfu h ASN 189 N 2.00 0.00 -0.28 7.02 2.35 -1.96 -3.31 115.58 121.40 1rfu h ASN 189 Ca -0.27 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.23 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 0.30 0.03 0.20 0.18 -1.65 0.00 0.00 177.43 176.49 1rfu n LEU 190 N -3.11 0.34 -4.52 1.61 4.32 -1.26 -4.41 117.00 109.97 1rfu n LEU 190 Ca 0.03 0.33 -0.16 0.00 -0.02 0.00 0.00 56.01 56.20 1rfu n LEU 190 Cb 0.50 -0.25 -0.13 0.00 -1.62 0.00 0.00 43.42 41.93 1rfu n LEU 190 CO 0.33 -0.24 1.50 0.18 -1.22 0.00 0.00 177.39 177.95 1rfu n LEU 191 N 1.13 0.52 -4.52 2.23 4.77 -1.26 -4.80 117.00 115.07 1rfu n LEU 191 Ca 0.09 -1.21 -0.41 0.00 -0.03 0.00 0.00 56.01 54.44 1rfu n LEU 191 Cb -0.02 -1.24 0.01 0.00 -2.33 0.00 0.00 43.42 39.84 1rfu n LEU 191 CO 0.25 -2.25 0.28 -1.20 -1.33 0.00 0.00 177.39 173.15 1rfu n SER 192 N 13.77 -0.02 0.15 -1.43 7.64 -1.26 -4.81 113.62 127.66 1rfu n SER 192 Ca 0.53 0.95 0.19 0.00 1.01 0.00 0.00 58.87 61.54 1rfu n SER 192 Cb 0.33 -1.21 0.78 0.00 -1.01 0.00 0.00 64.21 63.10 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 1.04 0.00 -3.06 1.43 0.11 -1.98 -3.39 132.00 126.15 1rfu h PRO 193 Ca -0.42 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.40 1rfu h PRO 193 Cb 1.38 0.00 -0.36 0.00 0.11 0.00 0.00 31.00 32.13 1rfu h PRO 193 CO 0.53 0.00 -0.63 -0.98 -0.21 0.00 0.00 178.00 176.72 1rfu s ARG 194 N -4.57 0.04 0.23 1.05 1.70 -1.26 -5.11 118.95 111.04 1rfu s ARG 194 Ca -0.04 0.57 0.00 0.00 -0.47 0.00 0.00 55.73 55.79 1rfu s ARG 194 Cb 0.15 -0.27 0.00 0.00 -0.57 0.00 0.00 34.95 34.26 1rfu s ARG 194 CO 0.52 -0.31 0.00 0.41 -1.08 0.00 0.00 175.30 174.84 1rfu n GLY 195 N 5.33 -3.60 0.11 3.88 0.00 -1.26 -4.59 105.19 105.07 1rfu n GLY 195 Ca -0.05 -1.00 0.12 0.00 0.00 0.00 0.00 46.02 45.09 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 0.55 0.00 -0.51 1.61 0.87 -1.99 -3.29 113.55 110.78 1rfu h SER 196 Ca 0.00 -0.07 -0.32 0.00 -1.23 0.00 0.00 61.79 60.17 1rfu h SER 196 Cb 0.09 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 61.92 1rfu h SER 196 CO 0.00 0.04 0.33 -0.90 -0.53 0.00 0.00 176.83 175.77 1rfu n ASP 197 N -2.44 6.31 -3.74 6.23 5.68 -1.26 -4.81 116.55 122.52 1rfu n ASP 197 Ca 0.04 -3.00 -0.12 0.00 -0.50 0.00 0.00 54.79 51.20 1rfu n ASP 197 Cb 0.47 -1.12 -0.13 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 -1.49 -0.33 -0.05 2.11 1.51 -1.24 -3.08 117.35 114.79 1rfu s TYR 198 Ca 0.35 0.78 -0.15 0.00 -1.01 0.00 0.00 57.07 57.04 1rfu s TYR 198 Cb 0.25 0.06 -0.05 0.00 -0.11 0.00 0.00 41.96 42.11 1rfu s TYR 198 CO -0.04 -0.22 0.41 -0.51 -1.11 0.00 0.00 175.55 174.08 1rfu s LEU 199 N 1.10 4.40 -0.02 -1.29 1.43 0.13 -4.76 118.68 119.67 1rfu s LEU 199 Ca -0.08 0.87 0.01 0.00 -1.03 0.00 0.00 54.13 53.90 1rfu s LEU 199 Cb -0.09 -2.59 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 1rfu s LEU 199 CO -0.07 0.22 -0.00 -0.32 0.23 0.00 0.00 176.35 176.40 1rfu s MET 200 N -0.47 2.82 -0.00 1.70 -2.45 -1.25 0.15 119.30 119.80 1rfu s MET 200 Ca 0.23 -0.58 0.01 0.00 -1.25 0.00 0.00 55.69 54.11 1rfu s MET 200 Cb -0.16 -2.69 -0.00 0.00 1.25 0.00 0.00 34.83 33.23 1rfu s MET 200 CO 0.11 0.64 -0.04 0.00 1.05 0.00 0.00 175.02 176.78 1rfu s ALA 201 N -1.05 0.37 -0.06 4.11 0.00 -0.02 -1.79 121.76 123.33 1rfu s ALA 201 Ca 0.18 -0.19 0.05 0.00 0.00 0.00 0.00 51.96 52.01 1rfu s ALA 201 Cb -0.11 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 1rfu s ALA 201 CO 0.09 0.09 -0.23 -0.51 0.00 0.00 0.00 175.76 175.20 1rfu s LEU 202 N -0.09 2.03 -0.10 0.00 1.43 -0.84 -0.03 118.68 121.08 1rfu s LEU 202 Ca 0.02 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 1rfu s LEU 202 Cb -0.02 -1.28 0.02 0.00 0.03 0.00 0.00 46.19 44.94 1rfu s LEU 202 CO -0.00 0.20 -0.09 -0.83 0.23 0.00 0.00 176.35 175.86 1rfu s GLY 203 N 0.00 0.84 0.03 -3.19 0.00 0.73 0.22 107.32 105.95 1rfu s GLY 203 Ca -0.07 -0.54 0.05 0.00 0.00 0.00 0.00 44.72 44.16 1rfu s GLY 203 CO 0.04 0.61 -0.12 -0.45 0.00 0.00 0.00 173.10 173.19 1rfu s SER 204 N 1.43 4.27 -0.05 1.64 0.15 0.16 -1.36 113.70 119.94 1rfu s SER 204 Ca 0.00 -0.28 -0.04 0.00 0.70 0.00 0.00 55.95 56.33 1rfu s SER 204 Cb -0.13 -0.87 0.02 0.00 -1.71 0.00 0.00 66.02 63.32 1rfu s SER 204 CO -0.05 0.26 0.13 -1.58 1.20 0.00 0.00 173.24 173.19 1rfu s GLN 205 N -1.50 0.13 -0.07 5.44 0.74 0.45 0.14 119.66 124.99 1rfu s GLN 205 Ca 0.17 0.21 0.01 0.00 0.05 0.00 0.00 55.36 55.79 1rfu s GLN 205 Cb -0.11 0.02 0.02 0.00 1.10 0.00 0.00 33.01 34.04 1rfu s GLN 205 CO 0.07 -0.05 -0.07 0.50 -0.55 0.00 0.00 175.29 175.20 1rfu s ARG 206 N 0.29 1.18 0.04 1.67 3.52 0.63 0.48 118.95 126.76 1rfu s ARG 206 Ca -0.02 -0.20 0.07 0.00 -0.13 0.00 0.00 55.73 55.45 1rfu s ARG 206 Cb -0.03 -1.15 -0.02 0.00 -1.56 0.00 0.00 34.95 32.19 1rfu s ARG 206 CO -0.01 -0.11 -0.19 0.99 -0.81 0.00 0.00 175.30 175.18 1rfu s THR 207 N 1.11 1.49 -0.49 4.11 2.01 0.59 -4.80 115.64 119.65 1rfu s THR 207 Ca -0.07 -1.14 -0.10 0.00 0.31 0.00 0.00 61.69 60.69 1rfu s THR 207 Cb -0.14 -1.31 0.13 0.00 0.01 0.00 0.00 72.50 71.18 1rfu s THR 207 CO -0.01 0.14 0.38 -0.13 -0.69 0.00 0.00 174.62 174.30 1rfu s ARG 208 N -1.17 2.55 0.98 4.92 1.81 -1.26 0.36 118.95 127.14 1rfu s ARG 208 Ca 0.06 -1.82 -0.12 0.00 -1.72 0.00 0.00 55.73 52.13 1rfu s ARG 208 Cb -0.08 -3.96 0.14 0.00 -0.45 0.00 0.00 34.95 30.59 1rfu s ARG 208 CO 0.02 -1.21 0.86 0.00 -0.68 0.00 0.00 175.30 174.29 1rfu n ALA 209 N 4.85 -1.83 1.23 2.13 0.00 0.12 -4.82 120.51 122.19 1rfu n ALA 209 Ca -0.07 -0.72 0.10 0.00 0.00 0.00 0.00 53.44 52.75 1rfu n ALA 209 Cb 0.41 -2.02 0.59 0.00 0.00 0.00 0.00 19.45 18.42 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 -3.58 0.62 -0.21 0.00 -0.02 -1.26 -1.62 135.00 128.93 1rfu n PRO 210 Ca 0.08 0.00 0.08 0.00 -2.02 0.00 0.00 63.50 61.65 1rfu n PRO 210 Cb 0.53 -1.50 0.19 0.00 -0.02 0.00 0.00 33.50 32.71 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 -1.00 3.17 0.00 2.55 5.68 -1.26 -4.97 116.55 120.72 1rfu n ASP 211 Ca 0.15 -1.94 0.00 0.00 -0.50 0.00 0.00 54.79 52.50 1rfu n ASP 211 Cb 0.07 -0.27 0.00 0.00 -1.14 0.00 0.00 41.12 39.78 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 0.99 2.75 3.70 6.12 0.00 -0.64 -5.03 105.19 113.08 1rfu n GLY 212 Ca 0.16 -0.12 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1rfu n GLY 212 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rfu n SER 213 N 0.54 1.88 -4.16 1.61 3.41 -1.26 -4.62 113.62 111.01 1rfu n SER 213 Ca 0.00 0.87 -0.36 0.00 -0.26 0.00 0.00 58.87 59.13 1rfu n SER 213 Cb 0.00 -1.51 -0.12 0.00 -0.26 0.00 0.00 64.21 62.32 1rfu n SER 213 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1rfu s VAL 214 N -1.39 3.25 -0.13 -3.33 -7.23 -1.26 0.12 120.40 110.43 1rfu s VAL 214 Ca 0.77 -1.73 -0.29 0.00 -1.81 0.00 0.00 61.98 58.92 1rfu s VAL 214 Cb -0.41 -3.07 -0.01 0.00 0.56 0.00 0.00 36.38 33.46 1rfu s VAL 214 CO 0.45 -0.44 1.04 0.54 -0.31 0.00 0.00 175.10 176.38 1rfu s VAL 215 N 1.21 4.71 -0.06 1.32 0.11 0.16 -4.84 120.40 123.00 1rfu s VAL 215 Ca 0.03 2.00 0.02 0.00 -2.93 0.00 0.00 61.98 61.10 1rfu s VAL 215 Cb -0.21 -4.28 -0.03 0.00 -1.53 0.00 0.00 36.38 30.33 1rfu s VAL 215 CO -0.02 -0.04 -0.12 -0.89 -3.33 0.00 0.00 175.10 170.70 1rfu s THR 216 N 2.34 3.27 -0.13 5.04 2.01 -1.26 -0.30 115.64 126.62 1rfu s THR 216 Ca 0.48 -0.64 0.02 0.00 0.31 0.00 0.00 61.69 61.86 1rfu s THR 216 Cb -0.18 -2.31 -0.00 0.00 0.01 0.00 0.00 72.50 70.02 1rfu s THR 216 CO 0.15 0.59 -0.20 -1.10 -0.69 0.00 0.00 174.62 173.37 1rfu s GLN 217 N -0.66 3.13 -0.08 4.92 -0.21 0.18 -5.00 119.66 121.94 1rfu s GLN 217 Ca 0.10 -0.82 0.00 0.00 0.02 0.00 0.00 55.36 54.66 1rfu s GLN 217 Cb -0.11 -2.46 0.02 0.00 1.00 0.00 0.00 33.01 31.47 1rfu s GLN 217 CO 0.01 0.10 -0.06 1.03 -2.12 0.00 0.00 175.29 174.25 1rfu s ARG 218 N 0.56 1.26 -0.01 2.91 1.81 -1.26 -0.41 118.95 123.81 1rfu s ARG 218 Ca -0.12 -0.19 0.00 0.00 -1.72 0.00 0.00 55.73 53.71 1rfu s ARG 218 Cb -0.16 -1.30 0.01 0.00 -0.45 0.00 0.00 34.95 33.04 1rfu s ARG 218 CO 0.04 -0.19 -0.01 0.96 -0.68 0.00 0.00 175.30 175.42 1rfu s ILE 219 N 1.43 0.12 0.14 1.52 -4.36 -0.46 -1.41 121.20 118.18 1rfu s ILE 219 Ca -0.01 -0.03 0.09 0.00 -0.26 0.00 0.00 60.65 60.44 1rfu s ILE 219 Cb -0.13 -0.14 -0.04 0.00 1.25 0.00 0.00 42.46 43.40 1rfu s ILE 219 CO -0.04 0.06 -0.17 -0.60 0.24 0.00 0.00 174.94 174.43 1rfu s ARG 220 N 0.20 1.81 -0.01 0.37 3.52 -0.21 -0.20 118.95 124.44 1rfu s ARG 220 Ca -0.02 -1.24 -0.03 0.00 -0.13 0.00 0.00 55.73 54.31 1rfu s ARG 220 Cb -0.03 -2.09 -0.00 0.00 -1.56 0.00 0.00 34.95 31.26 1rfu s ARG 220 CO -0.01 0.46 0.07 -1.64 -0.81 0.00 0.00 175.30 173.37 1rfu s MET 221 N -2.36 0.27 -0.25 5.12 -1.94 0.96 -0.75 119.30 120.36 1rfu s MET 221 Ca 0.20 -0.24 -0.03 0.00 -1.71 0.00 0.00 55.69 53.91 1rfu s MET 221 Cb -0.10 0.11 0.01 0.00 2.01 0.00 0.00 34.83 36.86 1rfu s MET 221 CO 0.11 -0.05 -0.03 -1.21 -0.01 0.00 0.00 175.02 173.82 1rfu s GLU 222 N -0.80 3.06 0.08 2.03 2.02 -1.26 -0.84 118.70 122.99 1rfu s GLU 222 Ca -0.09 -0.84 0.03 0.00 0.02 0.00 0.00 54.97 54.09 1rfu s GLU 222 Cb -0.05 -3.05 -0.04 0.00 0.10 0.00 0.00 34.13 31.09 1rfu s GLU 222 CO 0.00 -0.33 0.10 -1.64 0.02 0.00 0.00 175.26 173.40 1rfu s MET 223 N 1.41 2.95 -0.34 1.61 -1.94 0.41 -4.87 119.30 118.52 1rfu s MET 223 Ca 0.03 -0.66 -0.26 0.00 -1.71 0.00 0.00 55.69 53.08 1rfu s MET 223 Cb -0.16 -2.76 0.01 0.00 2.01 0.00 0.00 34.83 33.93 1rfu s MET 223 CO -0.03 0.57 0.94 -1.58 -0.01 0.00 0.00 175.02 174.91 1rfu s HIS 224 N -1.41 3.13 0.22 -0.03 2.46 -1.26 0.17 115.29 118.57 1rfu s HIS 224 Ca 0.30 0.92 -0.30 0.00 0.47 0.00 0.00 55.06 56.45 1rfu s HIS 224 Cb -0.12 -3.56 -0.09 0.00 -0.13 0.00 0.00 32.58 28.67 1rfu s HIS 224 CO 0.23 -0.75 1.40 0.21 -2.47 0.00 0.00 174.74 173.36 1rfu s LYS 225 N 3.41 4.31 -0.11 2.88 2.20 -1.18 -4.81 119.74 126.43 1rfu s LYS 225 Ca 0.39 2.21 -0.10 0.00 -0.36 0.00 0.00 55.97 58.11 1rfu s LYS 225 Cb -0.13 -3.15 -0.05 0.00 -1.51 0.00 0.00 37.83 33.00 1rfu s LYS 225 CO 0.16 -0.38 0.22 0.08 -0.36 0.00 0.00 175.35 175.08 1rfu s VAL 226 N 0.17 5.35 -0.10 4.02 1.01 -1.26 -4.88 120.40 124.71 1rfu s VAL 226 Ca 0.59 0.41 -0.02 0.00 0.00 0.00 0.00 61.98 62.96 1rfu s VAL 226 Cb -0.40 -3.52 -0.07 0.00 0.00 0.00 0.00 36.38 32.39 1rfu s VAL 226 CO 0.40 0.55 1.52 -0.67 0.00 0.00 0.00 175.10 176.89 1rfu n ASP 227 N 2.44 1.88 -3.64 3.32 -0.08 -1.26 -4.72 116.55 114.48 1rfu n ASP 227 Ca -0.17 -1.89 -0.08 0.00 -1.51 0.00 0.00 54.79 51.15 1rfu n ASP 227 Cb 0.53 -0.53 -0.02 0.00 2.34 0.00 0.00 41.12 43.45 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 2.72 -1.56 -0.35 -1.67 0.00 -1.26 -5.03 121.76 114.62 1rfu s ALA 228 Ca 0.21 0.29 -0.04 0.00 0.00 0.00 0.00 51.96 52.42 1rfu s ALA 228 Cb 0.09 0.72 0.06 0.00 0.00 0.00 0.00 23.12 23.99 1rfu s ALA 228 CO -0.00 -0.90 0.10 0.08 0.00 0.00 0.00 175.76 175.04 1rfu s VAL 229 N -3.55 3.36 0.49 0.00 1.01 -1.26 -5.09 120.40 115.36 1rfu s VAL 229 Ca 0.07 -1.49 0.04 0.00 0.00 0.00 0.00 61.98 60.60 1rfu s VAL 229 Cb -0.02 -3.03 0.02 0.00 0.00 0.00 0.00 36.38 33.35 1rfu s VAL 229 CO -0.03 -0.30 0.69 -0.36 0.00 0.00 0.00 175.10 175.10 1rfu s PHE 230 N 1.28 2.86 -0.03 5.22 0.40 -1.26 -4.97 117.98 121.48 1rfu s PHE 230 Ca -0.00 -0.14 -0.01 0.00 -0.60 0.00 0.00 56.93 56.18 1rfu s PHE 230 Cb -0.21 -2.58 0.03 0.00 0.51 0.00 0.00 43.02 40.77 1rfu s PHE 230 CO -0.01 -0.67 0.05 0.08 0.70 0.00 0.00 175.22 175.37 1rfu s VAL 231 N -2.59 -0.05 0.00 -0.44 1.01 -1.26 -4.76 120.40 112.31 1rfu s VAL 231 Ca 0.56 0.17 0.00 0.00 0.00 0.00 0.00 61.98 62.71 1rfu s VAL 231 Cb -0.10 -0.10 0.00 0.00 0.00 0.00 0.00 36.38 36.18 1rfu s VAL 231 CO 0.36 0.07 0.00 0.61 0.00 0.00 0.00 175.10 176.14 1rfu n GLY 232 N 3.96 1.95 0.29 4.51 0.00 -1.26 -4.70 105.19 109.94 1rfu n GLY 232 Ca -0.25 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.69 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 0.37 -0.40 2.61 1.35 -1.86 -0.42 112.91 114.57 1rfu h THR 233 Ca 0.00 0.00 0.07 0.00 -0.55 0.00 0.00 66.41 65.93 1rfu h THR 233 Cb 0.00 0.37 -0.09 0.00 -1.73 0.00 0.00 68.15 66.70 1rfu h THR 233 CO 0.00 0.00 -0.45 1.23 -0.25 0.00 0.00 175.52 176.05 1rfu h GLY 234 N -0.29 -0.65 0.52 5.82 0.00 -1.95 0.54 103.07 107.07 1rfu h GLY 234 Ca 0.12 0.58 0.09 0.00 0.00 0.00 0.00 47.33 48.12 1rfu h GLY 234 CO -0.37 -0.17 0.42 -0.55 0.00 0.00 0.00 176.54 175.88 1rfu h ASP 235 N -0.35 0.59 -0.63 0.19 3.32 -1.81 -0.95 116.42 116.79 1rfu h ASP 235 Ca 0.12 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.24 1rfu h ASP 235 Cb 0.59 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.04 1rfu h ASP 235 CO -0.58 0.34 0.40 0.25 -1.72 0.00 0.00 179.24 177.94 1rfu h LEU 236 N 0.72 0.68 0.08 1.55 5.85 0.35 -2.42 115.31 122.13 1rfu h LEU 236 Ca 0.37 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.09 1rfu h LEU 236 Cb 0.35 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1rfu h LEU 236 CO -0.25 0.49 -0.18 0.15 -0.34 0.00 0.00 178.44 178.31 1rfu h PHE 237 N 0.81 -0.52 -0.51 1.25 3.57 0.36 -1.63 116.94 120.27 1rfu h PHE 237 Ca 0.24 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.85 1rfu h PHE 237 Cb -0.05 0.21 -0.10 0.00 2.79 0.00 0.00 35.95 38.80 1rfu h PHE 237 CO -0.04 -0.21 -0.27 0.00 -2.23 0.00 0.00 178.31 175.56 1rfu h ALA 238 N -1.29 0.04 -0.31 2.41 0.00 -1.30 1.39 119.26 120.21 1rfu h ALA 238 Ca -0.01 0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1rfu h ALA 238 Cb 0.27 0.64 -0.08 0.00 0.00 0.00 0.00 17.79 18.62 1rfu h ALA 238 CO -0.07 -0.61 -0.37 0.00 0.00 0.00 0.00 179.25 178.19 1rfu h ALA 239 N 1.09 -0.35 -0.47 0.00 0.00 -1.32 1.48 119.26 119.69 1rfu h ALA 239 Ca 0.23 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 1rfu h ALA 239 Cb 0.51 0.76 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1rfu h ALA 239 CO -0.60 -0.81 -0.10 0.52 0.00 0.00 0.00 179.25 178.26 1rfu h MET 240 N -0.34 0.86 -0.50 0.00 2.07 -0.25 -1.97 114.93 114.81 1rfu h MET 240 Ca 0.13 -0.29 0.04 0.00 -2.07 0.00 0.00 59.70 57.51 1rfu h MET 240 Cb 0.57 -0.07 -0.04 0.00 -1.87 0.00 0.00 31.60 30.19 1rfu h MET 240 CO -0.49 0.93 0.26 1.25 1.07 0.00 0.00 176.91 179.92 1rfu h LEU 241 N 0.78 0.37 -2.04 1.22 5.85 0.37 0.30 115.31 122.16 1rfu h LEU 241 Ca 0.13 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.98 1rfu h LEU 241 Cb 0.61 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 1rfu h LEU 241 CO 0.04 0.26 0.28 0.25 -0.34 0.00 0.00 178.44 178.93 1rfu h LEU 242 N 0.50 0.00 0.23 2.25 6.46 0.27 -2.30 115.31 122.73 1rfu h LEU 242 Ca 0.22 0.00 -0.34 0.00 -0.12 0.00 0.00 57.88 57.64 1rfu h LEU 242 Cb 0.12 0.00 0.03 0.00 -0.73 0.00 0.00 40.66 40.08 1rfu h LEU 242 CO -0.15 0.00 -1.57 0.00 -0.62 0.00 0.00 178.44 176.10 1rfu h ALA 243 N 1.78 -0.06 0.02 1.25 0.00 0.03 -3.27 119.26 119.01 1rfu h ALA 243 Ca 0.17 -0.95 -0.20 0.00 0.00 0.00 0.00 54.91 53.93 1rfu h ALA 243 Cb 0.73 0.27 0.02 0.00 0.00 0.00 0.00 17.79 18.80 1rfu h ALA 243 CO -0.00 0.80 -0.78 -1.49 0.00 0.00 0.00 179.25 177.78 1rfu h TRP 244 N 0.14 0.76 0.00 0.00 -0.00 -0.85 -3.06 115.95 112.93 1rfu h TRP 244 Ca -0.29 -0.42 -0.01 0.00 -0.00 0.00 0.00 58.89 58.17 1rfu h TRP 244 Cb 2.15 -0.08 -0.00 0.00 -0.00 0.00 0.00 29.16 31.23 1rfu h TRP 244 CO 0.12 1.26 -0.04 1.79 -0.00 0.00 0.00 178.44 181.56 1rfu h THR 245 N 0.05 0.57 -0.07 1.49 1.35 -1.61 0.84 112.91 115.53 1rfu h THR 245 Ca -0.10 -0.17 -0.11 0.00 -0.55 0.00 0.00 66.41 65.48 1rfu h THR 245 Cb 1.48 1.11 -0.01 0.00 -1.73 0.00 0.00 68.15 69.00 1rfu h THR 245 CO 0.15 0.04 -0.45 -0.74 -0.25 0.00 0.00 175.52 174.27 1rfu h HIS 246 N 0.00 0.21 0.23 4.73 -0.00 -1.60 0.24 115.15 118.97 1rfu h HIS 246 Ca -0.00 -0.06 -0.34 0.00 -0.00 0.00 0.00 60.37 59.97 1rfu h HIS 246 Cb 0.11 -0.04 0.03 0.00 -0.00 0.00 0.00 27.41 27.50 1rfu h HIS 246 CO 0.00 0.60 -1.55 -0.22 -0.00 0.00 0.00 177.93 176.76 1rfu h LYS 247 N 0.14 0.49 -2.55 5.26 1.63 0.33 -3.40 116.57 118.48 1rfu h LYS 247 Ca 0.01 -0.84 -0.60 0.00 -0.85 0.00 0.00 60.65 58.37 1rfu h LYS 247 Cb 0.86 0.31 -0.41 0.00 -0.60 0.00 0.00 32.23 32.40 1rfu h LYS 247 CO 0.07 1.40 -0.74 0.72 -3.45 0.00 0.00 179.45 177.45 1rfu n HIS 248 N -3.67 1.94 0.30 1.91 8.25 0.23 -4.94 115.22 119.24 1rfu n HIS 248 Ca -0.19 -3.95 0.18 0.00 -0.26 0.00 0.00 57.72 53.51 1rfu n HIS 248 Cb 1.10 -0.38 1.01 0.00 1.12 0.00 0.00 29.99 32.84 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 4.94 0.00 -0.64 -0.41 0.13 -1.17 -2.31 132.00 132.53 1rfu h PRO 249 Ca 0.18 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.84 1rfu h PRO 249 Cb 0.78 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.52 1rfu h PRO 249 CO 0.64 0.00 -0.83 0.09 -0.23 0.00 0.00 178.00 177.66 1rfu n ASN 250 N -3.50 4.23 -2.85 1.44 3.02 -1.26 -4.76 115.26 111.59 1rfu n ASN 250 Ca -0.02 -3.54 -0.12 0.00 -0.03 0.00 0.00 54.58 50.88 1rfu n ASN 250 Cb 0.14 -0.37 0.03 0.00 -0.61 0.00 0.00 39.78 38.97 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 -0.71 0.34 -0.32 6.41 2.85 -0.87 -4.95 115.26 118.00 1rfu n ASN 251 Ca 0.37 -2.88 0.20 0.00 -0.11 0.00 0.00 54.58 52.16 1rfu n ASN 251 Cb 0.93 -0.06 0.41 0.00 1.24 0.00 0.00 39.78 42.30 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 2.86 0.28 0.12 1.20 5.85 -1.86 0.24 115.31 123.99 1rfu h LEU 252 Ca -0.06 0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.86 1rfu h LEU 252 Cb 1.12 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 1rfu h LEU 252 CO 0.38 -0.17 -0.25 0.50 -0.34 0.00 0.00 178.44 178.56 1rfu h LYS 253 N 0.25 -0.38 -0.08 1.25 3.64 -1.95 0.31 116.57 119.61 1rfu h LYS 253 Ca 0.67 0.03 0.04 0.00 -1.27 0.00 0.00 60.65 60.12 1rfu h LYS 253 Cb 1.49 0.09 -0.05 0.00 -0.41 0.00 0.00 32.23 33.35 1rfu h LYS 253 CO -0.65 -0.25 -0.22 0.28 -2.27 0.00 0.00 179.45 176.34 1rfu h VAL 254 N -0.39 0.48 -0.42 2.00 2.07 -1.31 0.59 116.25 119.25 1rfu h VAL 254 Ca -0.01 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.59 1rfu h VAL 254 Cb 0.37 0.48 -0.07 0.00 -1.52 0.00 0.00 31.29 30.55 1rfu h VAL 254 CO -0.10 0.00 -0.01 0.00 0.02 0.00 0.00 177.57 177.47 1rfu h ALA 255 N 0.64 0.38 -0.66 1.67 0.00 -0.54 -0.06 119.26 120.70 1rfu h ALA 255 Ca 0.08 0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 1rfu h ALA 255 Cb 0.42 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1rfu h ALA 255 CO -0.25 -0.40 0.21 0.00 0.00 0.00 0.00 179.25 178.81 1rfu h GLU 257 N 0.95 -0.10 0.33 0.00 5.08 0.16 -0.91 114.58 120.09 1rfu h GLU 257 Ca 0.21 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 1rfu h GLU 257 Cb 0.28 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 1rfu h GLU 257 CO -0.01 -0.05 -0.44 0.87 -1.00 0.00 0.00 179.01 178.39 1rfu h LYS 258 N -0.11 -0.77 -0.26 2.33 1.57 -1.02 0.09 116.57 118.40 1rfu h LYS 258 Ca -0.01 0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1rfu h LYS 258 Cb 0.09 0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.54 1rfu h LYS 258 CO 0.02 -0.51 -0.18 1.15 -0.57 0.00 0.00 179.45 179.35 1rfu h THR 259 N -0.80 0.00 -0.95 -0.16 2.02 -1.38 0.57 112.91 112.22 1rfu h THR 259 Ca -0.04 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.32 1rfu h THR 259 Cb 0.72 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.04 1rfu h THR 259 CO -0.11 0.00 0.60 0.58 0.37 0.00 0.00 175.52 176.96 1rfu h VAL 260 N -0.04 0.74 0.75 3.16 2.07 -1.07 0.86 116.25 122.73 1rfu h VAL 260 Ca 0.04 -0.22 -0.04 0.00 0.82 0.00 0.00 66.70 67.30 1rfu h VAL 260 Cb 0.15 0.03 0.01 0.00 -1.52 0.00 0.00 31.29 29.96 1rfu h VAL 260 CO -0.26 0.12 -0.37 0.28 0.02 0.00 0.00 177.57 177.36 1rfu h SER 261 N 0.65 -0.87 -0.76 0.57 0.02 0.99 0.27 113.55 114.42 1rfu h SER 261 Ca 0.51 0.03 0.17 0.00 -0.84 0.00 0.00 61.79 61.66 1rfu h SER 261 Cb 0.92 0.23 -0.13 0.00 0.14 0.00 0.00 62.40 63.56 1rfu h SER 261 CO -0.26 -0.62 0.08 0.00 -1.14 0.00 0.00 176.83 174.89 1rfu h ALA 262 N -0.76 0.88 -0.25 3.77 0.00 0.43 0.32 119.26 123.65 1rfu h ALA 262 Ca -0.10 0.22 0.06 0.00 0.00 0.00 0.00 54.91 55.09 1rfu h ALA 262 Cb 0.78 0.35 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 1rfu h ALA 262 CO 0.17 -0.41 -0.25 1.98 0.00 0.00 0.00 179.25 180.74 1rfu h MET 263 N 0.16 -0.25 -0.12 0.00 4.05 0.06 0.08 114.93 118.91 1rfu h MET 263 Ca 0.43 0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.91 1rfu h MET 263 Cb 0.76 0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 31.57 1rfu h MET 263 CO -0.62 -0.17 -0.20 1.25 0.23 0.00 0.00 176.91 177.41 1rfu h HIS 264 N -0.26 -0.52 0.08 1.39 6.17 0.31 -0.30 115.15 122.02 1rfu h HIS 264 Ca 0.14 0.03 -0.00 0.00 0.71 0.00 0.00 60.37 61.24 1rfu h HIS 264 Cb 0.47 0.25 -0.01 0.00 2.52 0.00 0.00 27.41 30.65 1rfu h HIS 264 CO -0.41 -0.28 -0.10 0.45 0.71 0.00 0.00 177.93 178.30 1rfu h HIS 265 N -0.26 -0.28 -0.88 5.26 -0.00 -0.45 0.71 115.15 119.25 1rfu h HIS 265 Ca 0.10 0.00 0.08 0.00 -0.00 0.00 0.00 60.37 60.55 1rfu h HIS 265 Cb 0.40 0.11 -0.11 0.00 -0.00 0.00 0.00 27.41 27.82 1rfu h HIS 265 CO -0.30 -0.13 -0.52 0.28 -0.00 0.00 0.00 177.93 177.26 1rfu n VAL 266 N -2.93 -0.60 -0.02 2.45 0.31 -0.06 -0.46 118.33 117.01 1rfu n VAL 266 Ca -0.02 2.14 -0.09 0.00 -0.01 0.00 0.00 64.34 66.36 1rfu n VAL 266 Cb 0.09 -2.64 -0.02 0.00 -0.91 0.00 0.00 33.84 30.35 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 -0.40 -0.47 7.52 3.38 -0.75 0.19 115.31 124.78 1rfu h LEU 267 Ca 0.14 0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.28 1rfu h LEU 267 Cb 0.36 0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.25 1rfu h LEU 267 CO -0.82 -0.16 0.06 1.56 0.09 0.00 0.00 178.44 179.16 1rfu h GLN 268 N -0.13 0.18 -0.56 1.13 1.08 0.29 0.43 115.11 117.54 1rfu h GLN 268 Ca 0.10 -0.01 0.07 0.00 -1.45 0.00 0.00 58.65 57.36 1rfu h GLN 268 Cb 0.28 -0.04 -0.06 0.00 -0.05 0.00 0.00 27.48 27.62 1rfu h GLN 268 CO -0.25 0.12 0.25 -0.09 -0.95 0.00 0.00 178.83 177.91 1rfu h ARG 269 N 0.19 0.45 0.66 1.46 2.43 -0.06 -1.83 114.38 117.68 1rfu h ARG 269 Ca 0.24 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.35 1rfu h ARG 269 Cb 0.33 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 1rfu h ARG 269 CO -0.34 0.30 -0.34 1.15 -1.51 0.00 0.00 179.97 179.23 1rfu h THR 270 N 0.47 0.00 -0.96 0.20 2.02 0.65 -2.56 112.91 112.72 1rfu h THR 270 Ca 0.26 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.66 1rfu h THR 270 Cb 0.24 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.57 1rfu h THR 270 CO -0.22 0.00 0.62 -0.29 0.37 0.00 0.00 175.52 176.00 1rfu h ILE 271 N -0.92 0.64 0.30 3.11 6.09 -0.92 0.18 117.51 126.00 1rfu h ILE 271 Ca -0.09 -0.16 -0.01 0.00 -1.37 0.00 0.00 64.86 63.23 1rfu h ILE 271 Cb 0.72 0.13 -0.00 0.00 0.47 0.00 0.00 36.82 38.14 1rfu h ILE 271 CO 0.13 0.08 -0.18 0.50 -3.07 0.00 0.00 178.15 175.61 1rfu h LYS 272 N 0.47 -0.44 -0.70 2.19 3.64 -1.14 0.19 116.57 120.77 1rfu h LYS 272 Ca 0.52 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 60.01 1rfu h LYS 272 Cb 1.23 0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 33.08 1rfu h LYS 272 CO -0.24 -0.29 0.37 0.00 -2.27 0.00 0.00 179.45 177.02 1rfu h ALA 274 N 1.40 -0.59 -0.03 0.00 0.00 -0.47 0.49 119.26 120.07 1rfu h ALA 274 Ca 0.33 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.25 1rfu h ALA 274 Cb 0.30 0.82 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 1rfu h ALA 274 CO -0.23 -0.93 0.03 0.87 0.00 0.00 0.00 179.25 178.99 1rfu h LYS 275 N -0.47 0.00 -0.36 0.00 1.57 0.10 -1.77 116.57 115.64 1rfu h LYS 275 Ca 0.08 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.77 1rfu h LYS 275 Cb 0.62 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1rfu h LYS 275 CO -0.43 0.00 -0.12 0.00 -0.57 0.00 0.00 179.45 178.33 1rfu h ALA 276 N 1.96 0.50 0.00 3.86 0.00 0.73 -0.18 119.26 126.13 1rfu h ALA 276 Ca 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1rfu h ALA 276 Cb 0.08 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1rfu h ALA 276 CO -0.00 0.38 0.00 0.87 0.00 0.00 0.00 179.25 180.50 1rfu h LYS 277 N 0.50 0.00 0.00 0.00 1.57 -0.32 -3.28 116.57 115.05 1rfu h LYS 277 Ca 0.09 0.00 -0.34 0.00 -1.87 0.00 0.00 60.65 58.53 1rfu h LYS 277 Cb 0.64 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.89 1rfu h LYS 277 CO 0.04 0.00 -2.08 -1.13 -0.57 0.00 0.00 179.45 175.71 1rfu n SER 278 N -2.99 0.54 0.00 0.86 3.41 -0.84 -5.07 113.62 109.53 1rfu n SER 278 Ca 0.02 0.18 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 1rfu n SER 278 Cb 0.40 0.41 0.00 0.00 -0.26 0.00 0.00 64.21 64.76 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 1.70 0.77 3.76 5.00 0.00 -0.10 -4.68 105.19 111.63 1rfu n GLY 279 Ca -0.26 -1.74 -0.38 0.00 0.00 0.00 0.00 46.02 43.63 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 -3.15 3.35 -1.45 1.61 2.02 -1.26 -2.67 118.70 117.15 1rfu s GLU 280 Ca 0.00 2.17 -0.08 0.00 0.02 0.00 0.00 54.97 57.08 1rfu s GLU 280 Cb 0.00 -2.35 0.04 0.00 0.10 0.00 0.00 34.13 31.92 1rfu s GLU 280 CO 0.00 -1.00 0.68 0.41 0.02 0.00 0.00 175.26 175.37 1rfu n GLY 281 N 0.66 -0.51 3.08 -1.39 0.00 -1.26 -4.97 105.19 100.80 1rfu n GLY 281 Ca 0.09 0.14 -0.12 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.13 -0.03 -0.08 1.61 1.01 -1.09 -5.15 120.40 113.55 1rfu s VAL 282 Ca 0.42 0.09 -0.22 0.00 0.00 0.00 0.00 61.98 62.27 1rfu s VAL 282 Cb -0.20 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.77 1rfu s VAL 282 CO 0.52 0.04 0.66 -0.54 0.00 0.00 0.00 175.10 175.78 1rfu s LYS 283 N 0.84 4.41 0.28 2.72 -0.14 -1.26 -4.60 119.74 122.00 1rfu s LYS 283 Ca -0.06 0.79 -0.30 0.00 -1.36 0.00 0.00 55.97 55.05 1rfu s LYS 283 Cb -0.07 -3.45 -0.13 0.00 -1.68 0.00 0.00 37.83 32.50 1rfu s LYS 283 CO -0.05 0.07 1.31 -2.30 -0.76 0.00 0.00 175.35 173.62 1rfu n PRO 284 N 3.81 1.97 -2.38 -1.68 -0.02 -1.26 -4.97 135.00 130.48 1rfu n PRO 284 Ca -0.02 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 0.01 0.00 -0.02 0.00 0.00 33.50 31.72 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 -0.04 6.05 0.37 2.55 1.04 -1.26 -4.84 113.70 117.57 1rfu s SER 285 Ca 0.62 0.99 0.13 0.00 0.48 0.00 0.00 55.95 58.17 1rfu s SER 285 Cb -0.63 -2.15 0.94 0.00 0.10 0.00 0.00 66.02 64.28 1rfu s SER 285 CO 0.56 -0.80 1.82 1.55 0.98 0.00 0.00 173.24 177.35 1rfu h PRO 286 N -0.03 0.55 -0.51 4.02 0.13 -1.93 0.54 132.00 134.77 1rfu h PRO 286 Ca -0.46 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 1rfu h PRO 286 Cb 1.22 -0.12 -0.02 0.00 0.13 0.00 0.00 31.00 32.20 1rfu h PRO 286 CO 0.62 0.36 0.20 0.00 -0.23 0.00 0.00 178.00 178.95 1rfu h ALA 287 N 1.62 0.66 0.00 -0.56 0.00 -1.96 -1.45 119.26 117.57 1rfu h ALA 287 Ca 0.53 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1rfu h ALA 287 Cb 1.08 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1rfu h ALA 287 CO -0.27 0.27 0.00 1.04 0.00 0.00 0.00 179.25 180.29 1rfu n GLN 288 N -4.54 0.34 -0.05 0.00 6.02 0.16 -3.05 117.38 116.26 1rfu n GLN 288 Ca 0.02 0.07 0.10 0.00 -0.01 0.00 0.00 57.00 57.17 1rfu n GLN 288 Cb 0.16 -1.50 0.11 0.00 1.02 0.00 0.00 30.24 30.03 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 -1.28 2.81 -4.59 1.08 4.77 0.33 -4.18 117.00 115.94 1rfu n LEU 289 Ca 0.11 -1.15 -0.42 0.00 -0.03 0.00 0.00 56.01 54.52 1rfu n LEU 289 Cb 0.18 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 1rfu n LEU 289 CO 0.17 0.53 0.54 -0.62 -1.33 0.00 0.00 177.39 176.68 1rfu n GLU 290 N 1.15 1.29 -2.09 3.23 -0.58 -1.12 -4.79 120.64 117.74 1rfu n GLU 290 Ca 0.13 0.46 -0.40 0.00 -0.42 0.00 0.00 57.16 56.93 1rfu n GLU 290 Cb 0.51 -1.93 -0.01 0.00 -0.57 0.00 0.00 31.44 29.43 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 0.00 4.34 -1.21 -4.62 1.43 -1.26 -4.91 118.68 112.45 1rfu s LEU 291 Ca 0.61 2.68 -0.10 0.00 -1.03 0.00 0.00 54.13 56.29 1rfu s LEU 291 Cb -0.61 -3.76 0.21 0.00 0.03 0.00 0.00 46.19 42.06 1rfu s LEU 291 CO 0.58 -0.67 1.57 0.54 0.23 0.00 0.00 176.35 178.60 1rfu n ARG 292 N 0.51 3.66 0.00 1.70 1.74 -1.26 -4.72 116.66 118.30 1rfu n ARG 292 Ca 0.02 -3.92 0.00 0.00 -0.77 0.00 0.00 57.85 53.18 1rfu n ARG 292 Cb 0.42 -2.85 0.00 0.00 -1.02 0.00 0.00 32.46 29.01 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 3.90 0.00 -0.27 5.56 1.56 -1.26 -2.66 117.12 123.95 1rfu n MET 293 Ca 0.35 0.16 0.02 0.00 -0.27 0.00 0.00 57.70 57.95 1rfu n MET 293 Cb 0.38 -1.15 0.07 0.00 2.15 0.00 0.00 33.22 34.67 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 -0.97 -0.34 0.25 1.12 0.31 -1.26 0.21 118.33 117.65 1rfu n VAL 294 Ca 0.00 1.68 0.15 0.00 -0.01 0.00 0.00 64.34 66.16 1rfu n VAL 294 Cb 0.00 -2.28 0.84 0.00 -0.91 0.00 0.00 33.84 31.49 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 -1.25 115.11 124.24 1rfu h GLN 295 Ca 0.31 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.46 1rfu h GLN 295 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.02 1rfu h GLN 295 CO -0.74 0.00 0.00 0.43 -1.50 0.00 0.00 178.83 177.02 1rfu n SER 296 N -3.94 3.84 -0.32 1.46 7.64 0.58 -4.60 113.62 118.27 1rfu n SER 296 Ca -0.01 -2.05 -0.11 0.00 1.01 0.00 0.00 58.87 57.71 1rfu n SER 296 Cb 0.19 -0.48 -0.09 0.00 -1.01 0.00 0.00 64.21 62.82 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 4.08 -0.10 -0.67 1.43 3.64 -0.95 -0.46 116.57 123.54 1rfu h LYS 297 Ca 0.00 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 1rfu h LYS 297 Cb 0.99 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.77 1rfu h LYS 297 CO 0.02 -0.07 0.37 0.87 -2.27 0.00 0.00 179.45 178.38 1rfu h LYS 298 N -0.10 0.65 -0.32 1.90 1.79 -1.84 -1.64 116.57 117.01 1rfu h LYS 298 Ca 0.13 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.52 1rfu h LYS 298 Cb 0.43 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.92 1rfu h LYS 298 CO -0.80 0.43 0.05 -0.44 -1.08 0.00 0.00 179.45 177.62 1rfu h ASP 299 N 0.67 0.43 -0.33 0.86 3.45 -1.56 -1.80 116.42 118.15 1rfu h ASP 299 Ca 0.30 -0.06 -0.10 0.00 0.43 0.00 0.00 57.03 57.60 1rfu h ASP 299 Cb 0.20 -0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 38.85 1rfu h ASP 299 CO -0.19 0.46 -0.19 0.40 -1.57 0.00 0.00 179.24 178.15 1rfu h ILE 300 N 0.46 1.29 -0.60 0.35 2.04 -0.25 -0.20 117.51 120.60 1rfu h ILE 300 Ca 0.11 -1.31 0.02 0.00 1.00 0.00 0.00 64.86 64.68 1rfu h ILE 300 Cb 0.22 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 1rfu h ILE 300 CO 0.00 0.43 0.38 -0.33 0.00 0.00 0.00 178.15 178.63 1rfu h GLU 301 N 0.48 0.74 -2.02 2.37 5.08 -0.79 -3.38 114.58 117.06 1rfu h GLU 301 Ca 0.07 -0.04 -0.45 0.00 -1.00 0.00 0.00 59.36 57.93 1rfu h GLU 301 Cb 0.73 -0.17 -0.32 0.00 0.50 0.00 0.00 28.75 29.49 1rfu h GLU 301 CO 0.05 0.49 -0.81 -1.12 -1.00 0.00 0.00 179.01 176.62 1rfu s SER 302 N -5.69 0.92 -0.03 1.42 0.01 -0.72 -5.05 113.70 104.56 1rfu s SER 302 Ca -0.13 -2.41 -0.30 0.00 1.31 0.00 0.00 55.95 54.42 1rfu s SER 302 Cb 0.14 0.25 -0.03 0.00 0.21 0.00 0.00 66.02 66.58 1rfu s SER 302 CO 0.75 -0.18 1.13 -2.16 0.41 0.00 0.00 173.24 173.20 1rfu s PRO 303 N 0.60 4.42 0.42 12.44 0.04 -0.09 -4.65 135.00 148.18 1rfu s PRO 303 Ca 0.28 1.61 -0.25 0.00 0.04 0.00 0.00 61.00 62.67 1rfu s PRO 303 Cb -0.03 -3.49 -0.08 0.00 0.04 0.00 0.00 34.50 30.94 1rfu s PRO 303 CO -0.11 -0.31 1.28 -2.00 0.04 0.00 0.00 177.00 175.90 1rfu s GLU 304 N 1.69 3.90 -0.54 4.56 2.56 -1.26 -4.83 118.70 124.78 1rfu s GLU 304 Ca 0.55 2.10 -0.28 0.00 0.00 0.00 0.00 54.97 57.34 1rfu s GLU 304 Cb -0.24 -2.69 0.02 0.00 2.00 0.00 0.00 34.13 33.22 1rfu s GLU 304 CO 0.24 -0.53 1.28 0.42 -0.56 0.00 0.00 175.26 176.11 1rfu s ILE 305 N -1.30 3.96 -1.57 -3.70 1.09 -1.26 -4.65 121.20 113.76 1rfu s ILE 305 Ca 0.58 0.88 0.13 0.00 -1.10 0.00 0.00 60.65 61.15 1rfu s ILE 305 Cb -0.37 -4.55 0.13 0.00 -1.06 0.00 0.00 42.46 36.61 1rfu s ILE 305 CO 0.47 -1.16 0.95 1.33 -0.10 0.00 0.00 174.94 176.43 1rfu n VAL 306 N 6.82 0.10 -4.18 2.92 0.24 -1.26 -4.92 118.33 118.04 1rfu n VAL 306 Ca 0.11 -0.55 -0.21 0.00 -2.04 0.00 0.00 64.34 61.65 1rfu n VAL 306 Cb 0.49 1.19 -0.16 0.00 -1.47 0.00 0.00 33.84 33.89 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 -1.08 0.63 -0.28 3.34 -7.23 -1.26 -5.06 120.40 109.46 1rfu s VAL 307 Ca 0.16 -0.16 -0.07 0.00 -1.81 0.00 0.00 61.98 60.10 1rfu s VAL 307 Cb 0.11 -0.64 -0.01 0.00 0.56 0.00 0.00 36.38 36.40 1rfu s VAL 307 CO 0.16 0.25 0.08 -1.10 -0.31 0.00 0.00 175.10 174.18 1rfu s GLN 308 N 1.00 3.35 0.24 4.82 -1.52 -1.26 -4.86 119.66 121.43 1rfu s GLN 308 Ca -0.10 -0.69 -0.30 0.00 -1.95 0.00 0.00 55.36 52.33 1rfu s GLN 308 Cb -0.14 -3.35 -0.09 0.00 -0.22 0.00 0.00 33.01 29.20 1rfu s GLN 308 CO -0.00 -0.33 1.24 0.00 -0.25 0.00 0.00 175.29 175.95 1rfu s ALA 309 N 1.55 3.48 -0.11 6.09 0.00 -1.26 -4.75 121.76 126.75 1rfu s ALA 309 Ca 0.04 1.06 -0.13 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 19.48 1rfu s ALA 309 CO 0.03 -0.45 0.32 0.95 0.00 0.00 0.00 175.76 176.61 1rfu s THR 310 N -0.47 5.25 -0.36 0.00 -4.23 0.07 -4.94 115.64 110.96 1rfu s THR 310 Ca 0.51 0.61 -0.19 0.00 -1.18 0.00 0.00 61.69 61.45 1rfu s THR 310 Cb -0.35 -3.64 0.00 0.00 1.34 0.00 0.00 72.50 69.85 1rfu s THR 310 CO 0.42 0.47 0.56 -0.69 -0.54 0.00 0.00 174.62 174.84 1rfu s VAL 311 N -0.13 4.96 -2.13 2.29 1.01 -1.26 -1.05 120.40 124.09 1rfu s VAL 311 Ca 0.19 0.38 0.31 0.00 0.00 0.00 0.00 61.98 62.86 1rfu s VAL 311 Cb -0.14 -4.03 0.82 0.00 0.00 0.00 0.00 36.38 33.03 1rfu s VAL 311 CO 0.07 -0.29 2.11 0.18 0.00 0.00 0.00 175.10 177.17