#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h2l s MET 2 N 0.00 4.50 0.39 4.33 -1.94 -1.26 -0.97 119.30 124.36 3h2l s MET 2 Ca 0.00 1.55 0.10 0.00 -1.71 0.00 0.00 55.69 55.63 3h2l s MET 2 Cb 0.00 -3.42 0.88 0.00 2.01 0.00 0.00 34.83 34.30 3h2l s MET 2 CO 0.00 -0.14 1.95 0.66 -0.01 0.00 0.00 175.02 177.48 3h2l h SER 3 N 6.82 0.54 -4.59 3.03 4.64 -1.14 -3.40 113.55 119.45 3h2l h SER 3 Ca -0.41 0.01 -0.16 0.00 -0.47 0.00 0.00 61.79 60.76 3h2l h SER 3 Cb 1.21 -0.10 -0.23 0.00 -0.31 0.00 0.00 62.40 62.98 3h2l h SER 3 CO 0.78 0.32 -0.52 -0.31 -0.87 0.00 0.00 176.83 176.23 3h2l s TYR 4 N -5.55 -0.01 -0.01 4.77 2.02 -1.26 -0.64 117.35 116.66 3h2l s TYR 4 Ca -0.09 0.02 0.06 0.00 -0.37 0.00 0.00 57.07 56.69 3h2l s TYR 4 Cb 0.20 -0.02 -0.03 0.00 -0.40 0.00 0.00 41.96 41.71 3h2l s TYR 4 CO 0.77 -0.21 -0.19 0.99 -1.57 0.00 0.00 175.55 175.34 3h2l s THR 5 N -0.91 2.72 0.01 -0.71 2.01 0.71 -4.85 115.64 114.62 3h2l s THR 5 Ca -0.10 -1.00 0.07 0.00 0.31 0.00 0.00 61.69 60.97 3h2l s THR 5 Cb -0.06 -2.07 -0.03 0.00 0.01 0.00 0.00 72.50 70.36 3h2l s THR 5 CO 0.01 0.49 -0.22 0.26 -0.69 0.00 0.00 174.62 174.46 3h2l s TRP 6 N -0.78 2.45 -0.15 4.92 0.52 -1.26 -0.02 118.94 124.61 3h2l s TRP 6 Ca 0.12 -0.34 0.18 0.00 0.02 0.00 0.00 56.10 56.08 3h2l s TRP 6 Cb -0.10 -1.48 -0.08 0.00 -1.15 0.00 0.00 33.47 30.65 3h2l s TRP 6 CO 0.02 0.12 0.95 1.79 0.02 0.00 0.00 176.95 179.85 3h2l h THR 7 N 4.25 0.45 0.00 2.01 1.35 -1.42 -3.47 112.91 116.07 3h2l h THR 7 Ca -0.46 -1.84 0.00 0.00 -0.55 0.00 0.00 66.41 63.57 3h2l h THR 7 Cb 1.14 1.99 0.00 0.00 -1.73 0.00 0.00 68.15 69.55 3h2l h THR 7 CO 0.47 0.26 0.00 0.61 -0.25 0.00 0.00 175.52 176.60 3h2l n GLY 8 N 1.33 0.55 3.77 5.82 0.00 -1.26 -5.07 105.19 110.34 3h2l n GLY 8 Ca -0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 3h2l n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2l s ALA 9 N -2.00 2.88 0.37 4.61 0.00 -1.26 -5.02 121.76 121.34 3h2l s ALA 9 Ca 0.00 0.91 -0.21 0.00 0.00 0.00 0.00 51.96 52.66 3h2l s ALA 9 Cb 0.00 -3.38 -0.10 0.00 0.00 0.00 0.00 23.12 19.64 3h2l s ALA 9 CO 0.00 -0.71 0.89 -0.51 0.00 0.00 0.00 175.76 175.43 3h2l s LEU 10 N -3.29 4.08 -0.16 0.00 1.43 -1.26 -4.82 118.68 114.67 3h2l s LEU 10 Ca 0.67 1.63 -0.29 0.00 -1.03 0.00 0.00 54.13 55.10 3h2l s LEU 10 Cb -0.27 -4.27 -0.01 0.00 0.03 0.00 0.00 46.19 41.66 3h2l s LEU 10 CO 0.32 -0.24 1.16 -0.63 0.23 0.00 0.00 176.35 177.19 3h2l s ILE 11 N -1.97 4.45 0.01 -0.59 1.01 -1.26 -4.85 121.20 118.00 3h2l s ILE 11 Ca 0.57 1.75 0.05 0.00 0.00 0.00 0.00 60.65 63.01 3h2l s ILE 11 Cb -0.12 -4.13 -0.03 0.00 0.01 0.00 0.00 42.46 38.19 3h2l s ILE 11 CO 0.17 -0.11 -0.13 0.42 0.00 0.00 0.00 174.94 175.29 3h2l s THR 12 N 3.02 3.16 0.78 2.92 -4.23 -1.26 -4.87 115.64 115.15 3h2l s THR 12 Ca 0.51 -0.95 -0.11 0.00 -1.18 0.00 0.00 61.69 59.95 3h2l s THR 12 Cb -0.20 -2.33 0.06 0.00 1.34 0.00 0.00 72.50 71.37 3h2l s THR 12 CO 0.14 0.40 1.09 -2.16 -0.54 0.00 0.00 174.62 173.55 3h2l s PRO 13 N -1.31 2.21 -0.10 3.99 0.04 -1.26 -4.32 135.00 134.25 3h2l s PRO 13 Ca 0.15 0.71 -0.08 0.00 0.04 0.00 0.00 61.00 61.82 3h2l s PRO 13 Cb -0.11 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.48 3h2l s PRO 13 CO 0.05 -1.55 -0.15 0.00 0.04 0.00 0.00 177.00 175.40 3h2l n ALA 15 N -3.33 0.03 -1.75 0.00 0.00 -1.26 -5.08 120.51 109.12 3h2l n ALA 15 Ca -0.06 -0.88 -0.33 0.00 0.00 0.00 0.00 53.44 52.16 3h2l n ALA 15 Cb 0.22 0.13 -0.02 0.00 0.00 0.00 0.00 19.45 19.78 3h2l n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3h2l s ALA 16 N -3.02 2.83 -0.11 0.00 0.00 -1.26 -5.06 121.76 115.14 3h2l s ALA 16 Ca 0.30 0.50 0.03 0.00 0.00 0.00 0.00 51.96 52.80 3h2l s ALA 16 Cb -0.02 -3.24 -0.01 0.00 0.00 0.00 0.00 23.12 19.86 3h2l s ALA 16 CO 0.20 -0.51 -0.21 -1.21 0.00 0.00 0.00 175.76 174.04 3h2l s GLU 17 N -3.61 3.11 -0.01 0.00 2.02 -1.26 -5.11 118.70 113.84 3h2l s GLU 17 Ca 0.65 -0.82 -0.17 0.00 0.02 0.00 0.00 54.97 54.66 3h2l s GLU 17 Cb -0.16 -2.39 -0.06 0.00 0.10 0.00 0.00 34.13 31.62 3h2l s GLU 17 CO 0.27 0.21 0.46 -1.21 0.02 0.00 0.00 175.26 175.02 3h2l s GLU 18 N 0.29 4.09 -0.03 1.61 2.02 -1.26 -4.96 118.70 120.45 3h2l s GLU 18 Ca -0.15 0.49 0.03 0.00 0.02 0.00 0.00 54.97 55.37 3h2l s GLU 18 Cb -0.17 -3.28 -0.04 0.00 0.10 0.00 0.00 34.13 30.74 3h2l s GLU 18 CO 0.07 0.55 0.01 -1.13 0.02 0.00 0.00 175.26 174.78 3h2l n SER 19 N 2.26 4.14 -4.74 -0.19 3.41 -1.26 -4.60 113.62 112.65 3h2l n SER 19 Ca -0.11 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.09 3h2l n SER 19 Cb 0.52 0.60 -0.04 0.00 -0.26 0.00 0.00 64.21 65.03 3h2l n SER 19 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3h2l s LYS 20 N -2.09 4.58 -0.07 4.33 -0.14 -1.26 -1.40 119.74 123.70 3h2l s LYS 20 Ca -0.02 1.78 -0.30 0.00 -1.36 0.00 0.00 55.97 56.06 3h2l s LYS 20 Cb 0.01 -3.24 -0.09 0.00 -1.68 0.00 0.00 37.83 32.83 3h2l s LYS 20 CO 0.14 0.08 2.04 -0.11 -0.76 0.00 0.00 175.35 176.74 3h2l n LEU 21 N 2.07 3.73 -4.77 3.17 7.94 -1.25 -4.88 117.00 123.01 3h2l n LEU 21 Ca 0.02 0.71 -0.41 0.00 -1.11 0.00 0.00 56.01 55.22 3h2l n LEU 21 Cb 0.45 -1.50 -0.02 0.00 0.53 0.00 0.00 43.42 42.89 3h2l n LEU 21 CO 0.54 -0.11 1.06 -2.84 -1.11 0.00 0.00 177.39 174.93 3h2l s PRO 22 N 4.99 4.26 -0.06 1.96 0.02 -1.26 -5.02 135.00 139.89 3h2l s PRO 22 Ca 0.94 2.35 0.03 0.00 0.02 0.00 0.00 61.00 64.34 3h2l s PRO 22 Cb -0.47 -3.05 -0.03 0.00 0.02 0.00 0.00 34.50 30.98 3h2l s PRO 22 CO 0.42 -0.35 -0.14 0.42 -0.33 0.00 0.00 177.00 177.02 3h2l s ILE 23 N -0.89 3.07 0.00 2.83 -1.09 -1.26 -4.68 121.20 119.18 3h2l s ILE 23 Ca 0.52 -0.72 0.00 0.00 -2.23 0.00 0.00 60.65 58.23 3h2l s ILE 23 Cb -0.42 -2.21 0.00 0.00 -1.58 0.00 0.00 42.46 38.25 3h2l s ILE 23 CO 0.54 0.59 0.00 -0.46 -1.23 0.00 0.00 174.94 174.38 3h2l n ASN 24 N 2.39 0.18 0.10 3.58 6.94 -1.26 -5.02 115.26 122.16 3h2l n ASN 24 Ca -0.17 -0.83 0.11 0.00 -0.02 0.00 0.00 54.58 53.67 3h2l n ASN 24 Cb 0.52 0.00 0.45 0.00 -2.36 0.00 0.00 39.78 38.39 3h2l n ASN 24 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3h2l n ALA 25 N -3.00 1.73 0.07 -2.53 0.00 -1.26 -2.83 120.51 112.69 3h2l n ALA 25 Ca 0.00 0.04 0.11 0.00 0.00 0.00 0.00 53.44 53.59 3h2l n ALA 25 Cb 0.00 -1.37 -0.14 0.00 0.00 0.00 0.00 19.45 17.94 3h2l n ALA 25 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3h2l n LEU 26 N -2.07 0.16 -0.02 0.00 4.77 -1.26 -4.65 117.00 113.94 3h2l n LEU 26 Ca 0.03 0.01 -0.09 0.00 -0.03 0.00 0.00 56.01 55.93 3h2l n LEU 26 Cb 0.24 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.29 3h2l n LEU 26 CO 0.20 -0.01 0.68 0.28 -1.33 0.00 0.00 177.39 177.21 3h2l h SER 27 N 0.00 -0.83 0.11 -1.43 0.02 -1.86 -2.82 113.55 106.74 3h2l h SER 27 Ca 0.00 0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 3h2l h SER 27 Cb 0.97 0.37 -0.00 0.00 0.14 0.00 0.00 62.40 63.88 3h2l h SER 27 CO 0.00 -0.30 -0.06 0.78 -1.14 0.00 0.00 176.83 176.11 3h2l h ASN 28 N -0.31 0.00 0.64 3.07 2.35 -1.79 -0.90 115.58 118.64 3h2l h ASN 28 Ca 0.11 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.81 3h2l h ASN 28 Cb 0.48 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 3h2l h ASN 28 CO -0.35 0.06 -0.28 0.77 -1.65 0.00 0.00 177.43 175.97 3h2l h SER 29 N 0.00 0.00 0.05 5.81 4.64 -1.80 -3.28 113.55 118.97 3h2l h SER 29 Ca -0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 3h2l h SER 29 Cb 0.13 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.18 3h2l h SER 29 CO 0.01 0.28 -2.00 -0.11 -0.87 0.00 0.00 176.83 174.14 3h2l n LEU 30 N -3.64 2.43 -3.68 5.97 7.94 -0.47 -4.65 117.00 120.91 3h2l n LEU 30 Ca -0.01 0.21 -0.10 0.00 -1.11 0.00 0.00 56.01 55.00 3h2l n LEU 30 Cb 0.40 -1.00 -0.10 0.00 0.53 0.00 0.00 43.42 43.25 3h2l n LEU 30 CO 0.35 0.70 0.12 -0.22 -1.11 0.00 0.00 177.39 177.23 3h2l s LEU 31 N -7.20 -0.30 -0.10 -1.96 0.20 -0.48 -4.18 118.68 104.66 3h2l s LEU 31 Ca -0.29 1.04 0.10 0.00 0.69 0.00 0.00 54.13 55.67 3h2l s LEU 31 Cb 0.08 1.59 -0.24 0.00 -0.43 0.00 0.00 46.19 47.20 3h2l s LEU 31 CO 0.65 -0.20 0.43 0.54 -0.29 0.00 0.00 176.35 177.48 3h2l n ARG 32 N 4.28 0.67 -2.34 1.98 5.12 0.34 -3.99 116.66 122.72 3h2l n ARG 32 Ca -0.23 0.22 -0.42 0.00 -1.93 0.00 0.00 57.85 55.49 3h2l n ARG 32 Cb 0.56 -1.70 0.00 0.00 -1.16 0.00 0.00 32.46 30.16 3h2l n ARG 32 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3h2l n HIS 33 N -3.07 2.87 0.06 -1.55 8.25 -0.49 -4.76 115.22 116.53 3h2l n HIS 33 Ca -0.25 -2.78 0.08 0.00 -0.26 0.00 0.00 57.72 54.52 3h2l n HIS 33 Cb 1.07 -1.91 0.52 0.00 1.12 0.00 0.00 29.99 30.79 3h2l n HIS 33 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3h2l h HIS 34 N 5.66 0.31 0.00 4.41 3.86 -1.84 -1.72 115.15 125.82 3h2l h HIS 34 Ca 0.40 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.62 3h2l h HIS 34 Cb 0.61 -0.10 -0.00 0.00 1.06 0.00 0.00 27.41 28.98 3h2l h HIS 34 CO 1.26 0.18 -0.00 -2.95 0.86 0.00 0.00 177.93 177.28 3h2l h ASN 35 N 0.32 0.00 1.53 2.45 7.08 -1.97 -2.64 115.58 122.34 3h2l h ASN 35 Ca 0.14 0.00 -0.03 0.00 -3.08 0.00 0.00 56.30 53.32 3h2l h ASN 35 Cb 0.15 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 36.39 3h2l h ASN 35 CO -0.03 0.00 -0.16 0.24 -2.08 0.00 0.00 177.43 175.40 3h2l h MET 36 N 0.00 0.00 -5.41 4.14 2.86 -1.71 -3.45 114.93 111.35 3h2l h MET 36 Ca -0.00 0.00 -0.63 0.00 -2.06 0.00 0.00 59.70 57.01 3h2l h MET 36 Cb 0.10 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 31.66 3h2l h MET 36 CO 0.00 0.16 -0.49 0.08 1.06 0.00 0.00 176.91 177.72 3h2l s VAL 37 N -3.30 5.38 0.09 -2.22 1.01 -1.00 -0.84 120.40 119.53 3h2l s VAL 37 Ca 0.04 0.17 -0.08 0.00 0.00 0.00 0.00 61.98 62.12 3h2l s VAL 37 Cb 0.07 -3.41 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 3h2l s VAL 37 CO 0.66 0.51 0.17 -0.72 0.00 0.00 0.00 175.10 175.72 3h2l s TYR 38 N -0.15 0.22 0.01 5.22 1.13 -0.56 -3.90 117.35 119.33 3h2l s TYR 38 Ca 0.10 -0.66 0.06 0.00 -1.41 0.00 0.00 57.07 55.16 3h2l s TYR 38 Cb -0.11 -0.10 -0.03 0.00 -1.10 0.00 0.00 41.96 40.61 3h2l s TYR 38 CO 0.00 -0.54 -0.17 0.00 -2.51 0.00 0.00 175.55 172.33 3h2l s ALA 39 N -3.88 2.62 0.42 9.51 0.00 -0.49 -0.75 121.76 129.19 3h2l s ALA 39 Ca 0.06 -1.13 -0.24 0.00 0.00 0.00 0.00 51.96 50.66 3h2l s ALA 39 Cb 0.05 -0.81 -0.08 0.00 0.00 0.00 0.00 23.12 22.28 3h2l s ALA 39 CO -0.10 0.57 1.11 0.95 0.00 0.00 0.00 175.76 178.29 3h2l s THR 40 N -0.87 3.42 0.24 0.00 -4.23 -0.08 -4.51 115.64 109.62 3h2l s THR 40 Ca 0.14 1.10 0.01 0.00 -1.18 0.00 0.00 61.69 61.76 3h2l s THR 40 Cb -0.11 -3.57 -0.05 0.00 1.34 0.00 0.00 72.50 70.11 3h2l s THR 40 CO 0.04 0.01 0.08 0.42 -0.54 0.00 0.00 174.62 174.64 3h2l s THR 41 N -1.58 0.54 0.61 3.99 -4.23 -1.26 -4.07 115.64 109.64 3h2l s THR 41 Ca 0.60 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.40 3h2l s THR 41 Cb -0.26 -2.55 0.36 0.00 1.34 0.00 0.00 72.50 71.39 3h2l s THR 41 CO 0.32 -0.07 1.98 0.77 -0.54 0.00 0.00 174.62 177.07 3h2l h SER 42 N 2.45 0.00 -0.82 3.99 4.64 -1.87 -2.10 113.55 119.84 3h2l h SER 42 Ca -0.38 0.00 0.21 0.00 -0.47 0.00 0.00 61.79 61.15 3h2l h SER 42 Cb 1.24 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.28 3h2l h SER 42 CO 0.61 0.00 0.56 -0.09 -0.87 0.00 0.00 176.83 177.04 3h2l h ARG 43 N 0.00 0.22 -0.22 4.77 9.65 -1.96 0.35 114.38 127.20 3h2l h ARG 43 Ca 0.12 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 3h2l h ARG 43 Cb 0.82 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.35 3h2l h ARG 43 CO -0.00 0.14 0.00 -1.13 2.80 0.00 0.00 179.97 181.78 3h2l n SER 44 N -4.42 2.52 -0.34 -3.80 3.41 -0.79 -4.53 113.62 105.67 3h2l n SER 44 Ca 0.17 -1.84 0.05 0.00 -0.26 0.00 0.00 58.87 56.99 3h2l n SER 44 Cb 0.74 -0.13 0.22 0.00 -0.26 0.00 0.00 64.21 64.78 3h2l n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h2l h ALA 45 N 4.35 1.49 -0.95 7.33 0.00 -1.04 -2.06 119.26 128.39 3h2l h ALA 45 Ca 0.00 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.00 3h2l h ALA 45 Cb 0.75 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 3h2l h ALA 45 CO 0.00 0.34 0.61 0.78 0.00 0.00 0.00 179.25 180.98 3h2l h GLY 46 N 1.07 1.44 1.05 0.00 0.00 -1.80 -0.38 103.07 104.45 3h2l h GLY 46 Ca 0.44 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 47.30 3h2l h GLY 46 CO -0.19 0.21 0.18 1.41 0.00 0.00 0.00 176.54 178.15 3h2l h LEU 47 N 0.97 1.03 -0.24 3.11 4.07 -1.71 -2.83 115.31 119.72 3h2l h LEU 47 Ca 0.44 -0.23 -0.13 0.00 0.08 0.00 0.00 57.88 58.04 3h2l h LEU 47 Cb 0.40 -0.27 -0.00 0.00 1.08 0.00 0.00 40.66 41.87 3h2l h LEU 47 CO -0.20 0.99 -0.38 -0.09 -1.08 0.00 0.00 178.44 177.68 3h2l h ARG 48 N 1.02 0.68 -0.62 1.13 9.65 -1.24 -2.73 114.38 122.27 3h2l h ARG 48 Ca 0.22 -0.41 0.12 0.00 -1.10 0.00 0.00 59.98 58.81 3h2l h ARG 48 Cb 0.36 0.04 -0.12 0.00 -1.39 0.00 0.00 29.97 28.86 3h2l h ARG 48 CO 0.00 1.03 -0.19 1.96 2.80 0.00 0.00 179.97 185.56 3h2l h GLN 49 N 0.39 -0.04 -0.23 0.20 4.20 -1.07 -0.20 115.11 118.37 3h2l h GLN 49 Ca 0.02 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.77 3h2l h GLN 49 Cb 0.97 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.72 3h2l h GLN 49 CO 0.09 -0.03 0.00 0.87 -0.67 0.00 0.00 178.83 179.10 3h2l h LYS 50 N -0.04 0.07 -0.90 1.46 1.57 -1.39 -2.17 116.57 115.17 3h2l h LYS 50 Ca 0.29 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 59.08 3h2l h LYS 50 Cb 0.49 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.73 3h2l h LYS 50 CO -0.66 0.05 0.60 0.87 -0.57 0.00 0.00 179.45 179.74 3h2l h LYS 51 N 0.08 1.17 -0.00 3.15 1.57 -0.95 -3.04 116.57 118.54 3h2l h LYS 51 Ca 0.11 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3h2l h LYS 51 Cb 0.13 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.18 3h2l h LYS 51 CO -0.18 0.77 -0.28 1.33 -0.57 0.00 0.00 179.45 180.53 3h2l n VAL 52 N -4.47 0.00 -3.35 0.50 0.24 -0.20 -4.78 118.33 106.27 3h2l n VAL 52 Ca 0.10 -0.08 -0.43 0.00 -2.04 0.00 0.00 64.34 61.90 3h2l n VAL 52 Cb 0.03 0.23 -0.09 0.00 -1.47 0.00 0.00 33.84 32.54 3h2l n VAL 52 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3h2l s THR 53 N -2.64 5.12 0.24 3.34 2.01 -0.83 -4.68 115.64 118.21 3h2l s THR 53 Ca 0.21 -0.33 -0.19 0.00 0.31 0.00 0.00 61.69 61.69 3h2l s THR 53 Cb 0.19 -3.99 0.02 0.00 0.01 0.00 0.00 72.50 68.73 3h2l s THR 53 CO 0.56 -0.36 0.62 0.72 -0.69 0.00 0.00 174.62 175.47 3h2l s PHE 54 N 2.05 -0.12 0.20 4.92 -0.71 -1.26 -4.96 117.98 118.11 3h2l s PHE 54 Ca 0.11 -0.27 -0.25 0.00 -1.04 0.00 0.00 56.93 55.48 3h2l s PHE 54 Cb -0.17 0.53 -0.08 0.00 -1.21 0.00 0.00 43.02 42.08 3h2l s PHE 54 CO 0.13 -1.08 0.81 0.34 -1.34 0.00 0.00 175.22 174.08 3h2l s ASP 55 N -2.91 7.36 -0.15 1.98 2.15 -1.26 -0.57 116.67 123.28 3h2l s ASP 55 Ca 0.11 1.67 -0.00 0.00 0.43 0.00 0.00 52.55 54.76 3h2l s ASP 55 Cb -0.03 -2.51 -0.01 0.00 -0.30 0.00 0.00 42.92 40.07 3h2l s ASP 55 CO 0.03 0.14 -0.14 -0.13 -0.17 0.00 0.00 175.17 174.90 3h2l s ARG 56 N -1.42 3.29 -0.02 4.34 3.00 -0.14 -4.94 118.95 123.06 3h2l s ARG 56 Ca 0.39 -0.72 0.04 0.00 0.00 0.00 0.00 55.73 55.45 3h2l s ARG 56 Cb -0.22 -2.65 -0.03 0.00 0.00 0.00 0.00 34.95 32.06 3h2l s ARG 56 CO 0.26 0.09 -0.14 -0.51 0.00 0.00 0.00 175.30 174.99 3h2l s LEU 57 N 0.66 2.76 -0.02 2.53 1.43 -1.26 -2.32 118.68 122.46 3h2l s LEU 57 Ca -0.07 -0.24 0.00 0.00 -1.03 0.00 0.00 54.13 52.79 3h2l s LEU 57 Cb -0.16 -1.58 0.02 0.00 0.03 0.00 0.00 46.19 44.51 3h2l s LEU 57 CO 0.02 0.32 0.01 -1.58 0.23 0.00 0.00 176.35 175.35 3h2l s GLN 58 N -0.98 0.08 -0.12 1.70 0.74 -1.26 -4.00 119.66 115.81 3h2l s GLN 58 Ca 0.13 0.11 -0.00 0.00 0.05 0.00 0.00 55.36 55.65 3h2l s GLN 58 Cb -0.11 -0.27 0.03 0.00 1.10 0.00 0.00 33.01 33.76 3h2l s GLN 58 CO 0.02 -0.12 -0.08 0.08 -0.55 0.00 0.00 175.29 174.65 3h2l s VAL 59 N 0.82 1.10 -0.18 1.34 1.01 0.80 -5.02 120.40 120.27 3h2l s VAL 59 Ca -0.07 -0.38 0.01 0.00 0.00 0.00 0.00 61.98 61.54 3h2l s VAL 59 Cb -0.10 -1.13 0.02 0.00 0.00 0.00 0.00 36.38 35.17 3h2l s VAL 59 CO -0.02 0.35 -0.20 -0.76 0.00 0.00 0.00 175.10 174.47 3h2l s LEU 60 N 1.67 2.12 0.00 3.92 1.43 -1.26 -4.24 118.68 122.32 3h2l s LEU 60 Ca 0.04 -0.65 0.02 0.00 -1.03 0.00 0.00 54.13 52.52 3h2l s LEU 60 Cb -0.13 -1.48 0.02 0.00 0.03 0.00 0.00 46.19 44.64 3h2l s LEU 60 CO -0.08 0.00 0.19 -0.90 0.23 0.00 0.00 176.35 175.78 3h2l n ASP 61 N 4.61 2.25 -0.24 2.29 5.75 -1.26 -4.98 116.55 124.97 3h2l n ASP 61 Ca -0.21 -2.19 -0.03 0.00 -0.01 0.00 0.00 54.79 52.35 3h2l n ASP 61 Cb 0.50 0.03 0.08 0.00 -1.03 0.00 0.00 41.12 40.70 3h2l n ASP 61 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 3h2l h ASP 62 N 0.48 0.66 -0.75 -1.12 3.32 -1.99 -2.21 116.42 114.81 3h2l h ASP 62 Ca -0.22 0.01 0.14 0.00 0.02 0.00 0.00 57.03 56.98 3h2l h ASP 62 Cb 0.77 -0.13 -0.09 0.00 0.22 0.00 0.00 39.33 40.09 3h2l h ASP 62 CO 0.35 0.45 0.29 0.45 -1.72 0.00 0.00 179.24 179.07 3h2l h HIS 63 N 0.79 0.50 0.35 4.55 3.86 -1.96 0.48 115.15 123.72 3h2l h HIS 63 Ca 0.28 0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.50 3h2l h HIS 63 Cb 0.05 -0.11 0.00 0.00 1.06 0.00 0.00 27.41 28.42 3h2l h HIS 63 CO -0.05 0.06 -0.17 -0.92 0.86 0.00 0.00 177.93 177.71 3h2l h TYR 64 N 0.43 -0.44 -0.32 2.45 3.20 -1.73 -1.80 116.97 118.77 3h2l h TYR 64 Ca 0.41 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.17 3h2l h TYR 64 Cb 0.62 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 3h2l h TYR 64 CO -0.17 -0.26 -0.23 0.00 -1.64 0.00 0.00 178.16 175.86 3h2l h ARG 65 N -0.49 0.62 -0.10 1.82 3.08 -0.93 -1.68 114.38 116.69 3h2l h ARG 65 Ca -0.05 -0.24 0.02 0.00 0.07 0.00 0.00 59.98 59.79 3h2l h ARG 65 Cb 0.38 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 3h2l h ARG 65 CO 0.08 0.80 -0.04 -0.44 -1.07 0.00 0.00 179.97 179.30 3h2l h ASP 66 N 0.54 -0.13 -0.25 7.04 3.32 0.06 -0.70 116.42 126.30 3h2l h ASP 66 Ca 0.08 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 3h2l h ASP 66 Cb 0.69 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 3h2l h ASP 66 CO 0.05 -0.05 0.11 0.58 -1.72 0.00 0.00 179.24 178.21 3h2l h VAL 67 N -0.03 1.16 -0.66 -1.35 2.07 -1.22 -2.62 116.25 113.60 3h2l h VAL 67 Ca 0.05 -0.46 0.10 0.00 0.82 0.00 0.00 66.70 67.21 3h2l h VAL 67 Cb 0.10 1.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.81 3h2l h VAL 67 CO -0.12 0.16 0.29 0.25 0.02 0.00 0.00 177.57 178.17 3h2l h LEU 68 N 0.26 0.34 -0.27 2.57 5.85 -1.17 0.33 115.31 123.21 3h2l h LEU 68 Ca 0.08 0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.93 3h2l h LEU 68 Cb 0.15 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 3h2l h LEU 68 CO -0.01 0.19 -0.08 0.50 -0.34 0.00 0.00 178.44 178.70 3h2l h LYS 69 N 0.50 -0.01 -0.80 1.25 3.64 -0.97 -0.74 116.57 119.44 3h2l h LYS 69 Ca 0.33 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.79 3h2l h LYS 69 Cb 0.39 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.15 3h2l h LYS 69 CO -0.30 -0.01 0.47 0.93 -2.27 0.00 0.00 179.45 178.27 3h2l h GLU 70 N -0.01 0.80 -0.50 1.90 5.08 -0.87 -1.71 114.58 119.26 3h2l h GLU 70 Ca 0.13 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.35 3h2l h GLU 70 Cb 0.21 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3h2l h GLU 70 CO -0.29 0.53 -0.06 0.52 -1.00 0.00 0.00 179.01 178.71 3h2l h MET 71 N 0.82 0.93 -0.72 2.33 2.86 -0.41 -2.67 114.93 118.08 3h2l h MET 71 Ca 0.37 -0.33 -0.05 0.00 -2.06 0.00 0.00 59.70 57.63 3h2l h MET 71 Cb 0.26 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 3h2l h MET 71 CO -0.21 0.98 0.27 0.87 1.06 0.00 0.00 176.91 179.89 3h2l h LYS 72 N 0.79 1.09 -0.54 1.72 1.57 -0.85 -0.35 116.57 120.01 3h2l h LYS 72 Ca 0.14 -0.21 0.05 0.00 -1.87 0.00 0.00 60.65 58.76 3h2l h LYS 72 Cb 0.60 -0.17 -0.05 0.00 0.08 0.00 0.00 32.23 32.69 3h2l h LYS 72 CO 0.04 0.91 0.26 0.00 -0.57 0.00 0.00 179.45 180.09 3h2l h ALA 73 N 1.13 0.70 -0.49 3.86 0.00 -1.22 -0.10 119.26 123.14 3h2l h ALA 73 Ca 0.24 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 3h2l h ALA 73 Cb 0.24 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3h2l h ALA 73 CO -0.02 -0.10 -0.16 0.87 0.00 0.00 0.00 179.25 179.84 3h2l h LYS 74 N 0.50 0.98 -0.00 0.00 1.57 -1.21 -2.99 116.57 115.43 3h2l h LYS 74 Ca 0.25 -0.40 -0.03 0.00 -1.87 0.00 0.00 60.65 58.60 3h2l h LYS 74 Cb 0.18 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 3h2l h LYS 74 CO -0.19 1.07 -0.12 0.00 -0.57 0.00 0.00 179.45 179.64 3h2l h ALA 75 N 0.88 1.80 0.00 3.86 0.00 -0.63 -2.16 119.26 123.01 3h2l h ALA 75 Ca 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3h2l h ALA 75 Cb 0.74 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3h2l h ALA 75 CO 0.06 0.15 0.00 0.66 0.00 0.00 0.00 179.25 180.12 3h2l h SER 76 N 0.00 0.00 0.87 0.00 4.64 -0.86 -1.87 113.55 116.33 3h2l h SER 76 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h2l h SER 76 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3h2l h SER 76 CO 0.02 0.00 -0.37 0.35 -0.87 0.00 0.00 176.83 175.96 3h2l n THR 77 N -2.87 0.21 -2.82 2.95 -2.24 -0.81 -4.57 114.28 104.14 3h2l n THR 77 Ca -0.01 -0.14 -0.41 0.00 -2.27 0.00 0.00 64.05 61.22 3h2l n THR 77 Cb 0.13 -0.16 -0.04 0.00 -2.10 0.00 0.00 70.33 68.17 3h2l n THR 77 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3h2l s VAL 78 N -3.07 4.84 -0.19 2.28 1.01 -0.70 -4.95 120.40 119.62 3h2l s VAL 78 Ca 0.10 1.88 -0.03 0.00 0.00 0.00 0.00 61.98 63.93 3h2l s VAL 78 Cb 0.16 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 32.29 3h2l s VAL 78 CO 0.66 0.22 -0.07 -0.75 0.00 0.00 0.00 175.10 175.17 3h2l s LYS 79 N 0.71 3.42 0.09 2.72 2.20 -1.26 -0.59 119.74 127.03 3h2l s LYS 79 Ca 0.47 -0.63 0.08 0.00 -0.36 0.00 0.00 55.97 55.53 3h2l s LYS 79 Cb -0.21 -2.90 -0.03 0.00 -1.51 0.00 0.00 37.83 33.18 3h2l s LYS 79 CO 0.26 -0.03 -0.20 0.00 -0.36 0.00 0.00 175.35 175.01 3h2l s ALA 80 N 1.04 1.76 0.10 3.13 0.00 -0.67 -4.97 121.76 122.16 3h2l s ALA 80 Ca 0.00 -1.21 0.07 0.00 0.00 0.00 0.00 51.96 50.82 3h2l s ALA 80 Cb -0.15 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 3h2l s ALA 80 CO -0.00 0.36 -0.09 -1.59 0.00 0.00 0.00 175.76 174.44 3h2l s LYS 81 N -1.80 2.18 0.42 0.00 -2.85 -1.26 -4.44 119.74 111.99 3h2l s LYS 81 Ca 0.06 -1.00 -0.26 0.00 -1.00 0.00 0.00 55.97 53.77 3h2l s LYS 81 Cb -0.10 -2.34 -0.09 0.00 -2.06 0.00 0.00 37.83 33.25 3h2l s LYS 81 CO 0.04 0.51 1.39 -0.51 0.10 0.00 0.00 175.35 176.88 3h2l s LEU 82 N -2.24 4.20 0.26 2.77 1.43 -1.26 -4.57 118.68 119.26 3h2l s LEU 82 Ca 0.22 2.84 -0.15 0.00 -1.03 0.00 0.00 54.13 56.01 3h2l s LEU 82 Cb -0.11 -3.87 -0.08 0.00 0.03 0.00 0.00 46.19 42.16 3h2l s LEU 82 CO 0.14 -0.99 0.67 -0.76 0.23 0.00 0.00 176.35 175.65 3h2l s LEU 83 N -2.47 4.19 0.68 1.79 1.02 -0.79 -5.06 118.68 118.04 3h2l s LEU 83 Ca 0.58 1.22 -0.12 0.00 0.02 0.00 0.00 54.13 55.83 3h2l s LEU 83 Cb -0.42 -3.77 0.00 0.00 0.02 0.00 0.00 46.19 42.02 3h2l s LEU 83 CO 0.55 -0.08 1.06 -0.94 0.02 0.00 0.00 176.35 176.96 3h2l s SER 84 N -2.06 5.36 0.24 2.29 1.04 -1.26 -4.69 113.70 114.62 3h2l s SER 84 Ca 0.48 1.69 -0.07 0.00 0.48 0.00 0.00 55.95 58.52 3h2l s SER 84 Cb -0.13 -2.51 0.41 0.00 0.10 0.00 0.00 66.02 63.90 3h2l s SER 84 CO 0.19 -1.45 1.65 0.58 0.98 0.00 0.00 173.24 175.19 3h2l h VAL 85 N -0.51 0.42 -0.12 5.02 2.07 -1.98 -1.34 116.25 119.81 3h2l h VAL 85 Ca -0.44 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.07 3h2l h VAL 85 Cb 1.21 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 3h2l h VAL 85 CO 0.56 0.03 -0.17 -0.33 0.02 0.00 0.00 177.57 177.67 3h2l h GLU 86 N 0.14 -0.22 -0.73 1.57 3.07 -1.98 0.20 114.58 116.64 3h2l h GLU 86 Ca 0.39 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.27 3h2l h GLU 86 Cb 0.68 0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.60 3h2l h GLU 86 CO -0.60 -0.14 0.46 0.93 -1.40 0.00 0.00 179.01 178.26 3h2l h GLU 87 N -0.23 0.97 -0.53 2.33 5.08 -1.77 -1.57 114.58 118.87 3h2l h GLU 87 Ca 0.09 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.26 3h2l h GLU 87 Cb 0.36 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 3h2l h GLU 87 CO -0.25 0.67 -0.12 0.00 -1.00 0.00 0.00 179.01 178.31 3h2l h ALA 88 N 1.25 0.79 -0.80 3.43 0.00 -0.84 -2.76 119.26 120.33 3h2l h ALA 88 Ca 0.26 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3h2l h ALA 88 Cb -0.07 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 3h2l h ALA 88 CO -0.05 0.67 0.48 0.00 0.00 0.00 0.00 179.25 180.34 3h2l n LYS 90 N -4.46 0.22 0.00 0.00 4.76 -0.63 -2.00 118.16 116.04 3h2l n LYS 90 Ca 0.08 0.40 0.14 0.00 -2.87 0.00 0.00 58.31 56.06 3h2l n LYS 90 Cb 0.06 -1.88 0.63 0.00 -1.84 0.00 0.00 35.03 32.00 3h2l n LYS 90 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3h2l n LEU 91 N -2.28 0.71 -4.68 -0.35 4.77 -0.93 -4.86 117.00 109.37 3h2l n LEU 91 Ca 0.03 -0.15 -0.40 0.00 -0.03 0.00 0.00 56.01 55.45 3h2l n LEU 91 Cb 0.26 -0.09 -0.05 0.00 -2.33 0.00 0.00 43.42 41.21 3h2l n LEU 91 CO 0.22 0.12 0.46 -0.89 -1.33 0.00 0.00 177.39 175.97 3h2l s THR 92 N -2.26 4.99 0.33 -5.08 2.01 -0.85 -0.60 115.64 114.17 3h2l s THR 92 Ca 0.34 1.41 -0.29 0.00 0.31 0.00 0.00 61.69 63.47 3h2l s THR 92 Cb 0.21 -4.04 -0.12 0.00 0.01 0.00 0.00 72.50 68.56 3h2l s THR 92 CO 0.42 0.13 1.40 -2.65 -0.69 0.00 0.00 174.62 173.23 3h2l n PRO 93 N 4.67 2.32 -0.11 4.92 -0.02 -1.26 -4.80 135.00 140.71 3h2l n PRO 93 Ca 0.00 0.82 0.25 0.00 -2.02 0.00 0.00 63.50 62.55 3h2l n PRO 93 Cb 0.50 -2.47 0.71 0.00 -0.02 0.00 0.00 33.50 32.22 3h2l n PRO 93 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3h2l h PRO 94 N 3.21 0.00 -0.31 0.52 0.11 -1.96 -2.17 132.00 131.41 3h2l h PRO 94 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3h2l h PRO 94 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3h2l h PRO 94 CO 0.67 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.18 3h2l n HIS 95 N -4.31 0.89 -1.68 0.65 8.25 -1.26 -3.99 115.22 113.77 3h2l n HIS 95 Ca 0.15 -0.77 -0.41 0.00 -0.26 0.00 0.00 57.72 56.43 3h2l n HIS 95 Cb 0.83 -0.25 0.01 0.00 1.12 0.00 0.00 29.99 31.70 3h2l n HIS 95 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3h2l n SER 96 N -0.17 2.27 -4.60 0.41 2.88 -0.82 -4.86 113.62 108.73 3h2l n SER 96 Ca 0.19 1.09 -0.52 0.00 -1.33 0.00 0.00 58.87 58.30 3h2l n SER 96 Cb 0.79 -1.47 -0.06 0.00 -0.75 0.00 0.00 64.21 62.72 3h2l n SER 96 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3h2l n ALA 97 N -0.30 -0.92 -1.07 -1.46 0.00 -1.26 -4.26 120.51 111.24 3h2l n ALA 97 Ca 0.07 0.51 -0.30 0.00 0.00 0.00 0.00 53.44 53.72 3h2l n ALA 97 Cb 0.40 -2.09 0.14 0.00 0.00 0.00 0.00 19.45 17.90 3h2l n ALA 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3h2l s LYS 98 N 0.73 1.26 0.54 0.00 -2.85 -1.26 -4.57 119.74 113.59 3h2l s LYS 98 Ca 0.86 1.03 -0.16 0.00 -1.00 0.00 0.00 55.97 56.69 3h2l s LYS 98 Cb -0.96 -1.79 -0.06 0.00 -2.06 0.00 0.00 37.83 32.95 3h2l s LYS 98 CO 0.48 -2.30 1.02 0.45 0.10 0.00 0.00 175.35 175.10 3h2l s SER 99 N -3.21 6.28 0.43 0.03 0.15 0.24 -4.62 113.70 112.99 3h2l s SER 99 Ca 0.64 1.68 0.30 0.00 0.70 0.00 0.00 55.95 59.27 3h2l s SER 99 Cb -0.19 -2.52 1.31 0.00 -1.71 0.00 0.00 66.02 62.91 3h2l s SER 99 CO 0.58 -0.83 1.89 0.11 1.20 0.00 0.00 173.24 176.19 3h2l h LYS 100 N 0.75 0.00 -0.77 5.44 1.57 -1.95 -3.35 116.57 118.26 3h2l h LYS 100 Ca -0.47 0.00 -0.45 0.00 -1.87 0.00 0.00 60.65 57.86 3h2l h LYS 100 Cb 1.20 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 33.26 3h2l h LYS 100 CO 0.60 0.00 0.32 1.19 -0.57 0.00 0.00 179.45 180.99 3h2l n PHE 101 N -2.67 2.45 -0.99 -1.35 3.72 -1.26 -4.91 117.46 112.45 3h2l n PHE 101 Ca 0.01 -2.10 0.00 0.00 -0.05 0.00 0.00 57.45 55.31 3h2l n PHE 101 Cb 0.23 -0.86 0.00 0.00 -0.94 0.00 0.00 39.48 37.90 3h2l n PHE 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h2l n GLY 102 N -1.04 0.86 3.38 1.37 0.00 -1.26 -5.02 105.19 103.48 3h2l n GLY 102 Ca 0.51 -0.59 -0.10 0.00 0.00 0.00 0.00 46.02 45.83 3h2l n GLY 102 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3h2l s TYR 103 N -2.00 -0.17 0.22 1.61 -0.85 -1.26 -4.97 117.35 109.93 3h2l s TYR 103 Ca 0.00 -0.15 0.00 0.00 -0.52 0.00 0.00 57.07 56.40 3h2l s TYR 103 Cb 0.00 0.30 -0.00 0.00 0.38 0.00 0.00 41.96 42.64 3h2l s TYR 103 CO 0.00 -0.78 0.01 0.41 -1.52 0.00 0.00 175.55 173.67 3h2l n GLY 104 N -0.27 3.90 0.34 5.49 0.00 -1.26 -0.60 105.19 112.80 3h2l n GLY 104 Ca -0.14 -2.26 -0.04 0.00 0.00 0.00 0.00 46.02 43.59 3h2l n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2l h ALA 105 N 1.13 1.12 -0.77 4.61 0.00 -1.82 -2.03 119.26 121.51 3h2l h ALA 105 Ca -0.18 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.65 3h2l h ALA 105 Cb 0.56 -0.36 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3h2l h ALA 105 CO 0.30 0.58 0.50 0.87 0.00 0.00 0.00 179.25 181.50 3h2l h LYS 106 N 1.21 0.97 -0.51 0.00 6.56 -1.88 -1.06 116.57 121.86 3h2l h LYS 106 Ca 0.32 -0.06 -0.04 0.00 -1.06 0.00 0.00 60.65 59.81 3h2l h LYS 106 Cb -0.06 -0.22 -0.02 0.00 -0.57 0.00 0.00 32.23 31.36 3h2l h LYS 106 CO -0.06 0.64 0.16 -0.44 -2.06 0.00 0.00 179.45 177.69 3h2l h ASP 107 N 1.00 0.69 0.16 0.86 3.32 -1.82 0.10 116.42 120.73 3h2l h ASP 107 Ca 0.29 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 3h2l h ASP 107 Cb -0.06 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.31 3h2l h ASP 107 CO -0.08 0.66 -0.08 0.58 -1.72 0.00 0.00 179.24 178.60 3h2l h VAL 108 N 0.74 0.95 -0.44 -1.35 2.07 -0.96 -0.27 116.25 116.98 3h2l h VAL 108 Ca 0.17 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 67.14 3h2l h VAL 108 Cb 0.22 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 3h2l h VAL 108 CO -0.01 0.12 0.22 0.03 0.02 0.00 0.00 177.57 177.95 3h2l h ARG 109 N -0.48 0.61 -0.00 1.57 3.08 -0.97 -0.40 114.38 117.80 3h2l h ARG 109 Ca -0.02 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.96 3h2l h ARG 109 Cb 0.37 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.30 3h2l h ARG 109 CO 0.04 0.48 -0.02 0.09 -1.07 0.00 0.00 179.97 179.49 3h2l n ASN 110 N -4.40 0.11 -3.81 7.04 3.02 0.33 -4.85 115.26 112.71 3h2l n ASN 110 Ca 0.03 -0.54 -0.27 0.00 -0.03 0.00 0.00 54.58 53.77 3h2l n ASN 110 Cb 0.12 -0.15 0.04 0.00 -0.61 0.00 0.00 39.78 39.18 3h2l n ASN 110 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3h2l n LEU 111 N -1.10 -2.85 -4.76 3.41 4.77 -0.16 -4.93 117.00 111.39 3h2l n LEU 111 Ca 0.18 -0.73 -0.39 0.00 -0.03 0.00 0.00 56.01 55.04 3h2l n LEU 111 Cb 0.20 -2.69 0.02 0.00 -2.33 0.00 0.00 43.42 38.62 3h2l n LEU 111 CO 0.21 0.50 1.02 -0.94 -1.33 0.00 0.00 177.39 176.86 3h2l s SER 112 N -3.47 5.83 0.26 -1.43 1.04 -0.19 -4.76 113.70 110.97 3h2l s SER 112 Ca 0.55 2.82 -0.02 0.00 0.48 0.00 0.00 55.95 59.78 3h2l s SER 112 Cb -0.27 -2.65 0.55 0.00 0.10 0.00 0.00 66.02 63.76 3h2l s SER 112 CO 0.80 -1.20 1.72 0.28 0.98 0.00 0.00 173.24 175.82 3h2l h SER 113 N 2.18 0.28 -0.27 7.02 0.02 -1.91 -0.44 113.55 120.42 3h2l h SER 113 Ca -0.51 0.13 -0.10 0.00 -0.84 0.00 0.00 61.79 60.47 3h2l h SER 113 Cb 1.27 0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.90 3h2l h SER 113 CO 0.60 0.06 -0.16 0.50 -1.14 0.00 0.00 176.83 176.70 3h2l h LYS 114 N 0.42 0.71 0.44 3.45 3.11 -1.96 1.00 116.57 123.75 3h2l h LYS 114 Ca 0.46 -0.25 -0.02 0.00 -2.81 0.00 0.00 60.65 58.03 3h2l h LYS 114 Cb 0.77 -0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.95 3h2l h LYS 114 CO -0.46 0.83 -0.21 0.00 -2.81 0.00 0.00 179.45 176.80 3h2l h ALA 115 N 1.19 -0.59 -0.63 5.00 0.00 -1.59 -2.57 119.26 120.06 3h2l h ALA 115 Ca 0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3h2l h ALA 115 Cb 0.63 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 3h2l h ALA 115 CO 0.04 -0.66 0.36 0.28 0.00 0.00 0.00 179.25 179.27 3h2l h VAL 116 N -0.92 1.19 -0.48 0.00 2.07 -1.08 -0.63 116.25 116.40 3h2l h VAL 116 Ca -0.06 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.00 3h2l h VAL 116 Cb 0.57 0.36 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 3h2l h VAL 116 CO 0.10 0.21 0.31 0.78 0.02 0.00 0.00 177.57 178.99 3h2l h ASN 117 N 0.86 0.55 -0.45 0.57 -0.26 -0.90 -0.96 115.58 114.99 3h2l h ASN 117 Ca 0.22 -0.02 -0.03 0.00 -0.56 0.00 0.00 56.30 55.91 3h2l h ASN 117 Cb 0.01 -0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 37.11 3h2l h ASN 117 CO -0.04 0.41 0.17 -0.74 -1.06 0.00 0.00 177.43 176.17 3h2l h HIS 118 N 0.65 0.70 -0.68 1.19 2.76 -1.12 -2.19 115.15 116.45 3h2l h HIS 118 Ca 0.17 -0.06 0.06 0.00 -2.20 0.00 0.00 60.37 58.35 3h2l h HIS 118 Cb -0.06 -0.21 -0.06 0.00 1.55 0.00 0.00 27.41 28.63 3h2l h HIS 118 CO -0.04 0.61 0.38 0.82 -1.30 0.00 0.00 177.93 178.40 3h2l h ILE 119 N 0.58 0.97 -0.98 6.26 2.04 -0.92 -0.16 117.51 125.30 3h2l h ILE 119 Ca 0.15 -0.24 0.07 0.00 1.00 0.00 0.00 64.86 65.83 3h2l h ILE 119 Cb 0.22 0.21 -0.07 0.00 -0.74 0.00 0.00 36.82 36.44 3h2l h ILE 119 CO -0.01 0.13 0.63 0.45 0.00 0.00 0.00 178.15 179.35 3h2l h HIS 120 N 0.70 1.17 -0.12 1.37 3.86 -1.00 -1.33 115.15 119.80 3h2l h HIS 120 Ca 0.30 0.03 -0.16 0.00 -1.16 0.00 0.00 60.37 59.38 3h2l h HIS 120 Cb 0.19 -0.38 -0.01 0.00 1.06 0.00 0.00 27.41 28.27 3h2l h HIS 120 CO -0.08 0.60 -0.61 0.66 0.86 0.00 0.00 177.93 179.36 3h2l h SER 121 N 1.15 0.46 -0.66 2.45 4.64 -0.60 -1.12 113.55 119.87 3h2l h SER 121 Ca 0.43 -0.27 -0.08 0.00 -0.47 0.00 0.00 61.79 61.40 3h2l h SER 121 Cb 0.17 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 62.10 3h2l h SER 121 CO -0.17 0.96 0.08 0.58 -0.87 0.00 0.00 176.83 177.41 3h2l h VAL 122 N 0.30 1.27 -0.04 0.95 2.07 -0.67 -2.03 116.25 118.10 3h2l h VAL 122 Ca -0.01 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 3h2l h VAL 122 Cb 1.15 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 31.59 3h2l h VAL 122 CO 0.11 0.40 -0.00 -0.25 0.02 0.00 0.00 177.57 177.85 3h2l h TRP 123 N 1.03 0.07 -0.58 1.57 2.91 -0.99 -0.20 115.95 119.75 3h2l h TRP 123 Ca 0.20 -0.01 0.10 0.00 1.13 0.00 0.00 58.89 60.31 3h2l h TRP 123 Cb 0.48 -0.02 -0.08 0.00 -0.51 0.00 0.00 29.16 29.03 3h2l h TRP 123 CO 0.04 0.36 0.14 -0.22 -1.03 0.00 0.00 178.44 177.73 3h2l h LYS 124 N -0.24 0.28 -0.46 2.65 3.64 -1.21 -1.09 116.57 120.15 3h2l h LYS 124 Ca 0.01 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 3h2l h LYS 124 Cb 0.33 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 3h2l h LYS 124 CO 0.00 0.18 0.13 0.22 -2.27 0.00 0.00 179.45 177.71 3h2l h ASP 125 N 0.29 0.62 -0.66 4.20 3.58 -1.14 -0.81 116.42 122.50 3h2l h ASP 125 Ca 0.30 -0.09 -0.08 0.00 0.42 0.00 0.00 57.03 57.58 3h2l h ASP 125 Cb 0.43 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.29 3h2l h ASP 125 CO -0.37 0.61 0.12 -0.07 -2.88 0.00 0.00 179.24 176.65 3h2l h LEU 126 N 0.66 1.04 -0.57 2.28 3.38 -0.02 -0.82 115.31 121.26 3h2l h LEU 126 Ca 0.15 -0.25 -0.15 0.00 0.09 0.00 0.00 57.88 57.72 3h2l h LEU 126 Cb 0.22 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3h2l h LEU 126 CO -0.01 1.03 -0.48 -0.07 0.09 0.00 0.00 178.44 179.01 3h2l h LEU 127 N 1.01 0.64 -0.05 1.67 3.38 -0.77 -3.30 115.31 117.88 3h2l h LEU 127 Ca 0.20 -0.31 -0.26 0.00 0.09 0.00 0.00 57.88 57.60 3h2l h LEU 127 Cb 0.42 -0.18 0.02 0.00 0.09 0.00 0.00 40.66 41.01 3h2l h LEU 127 CO 0.01 1.02 -1.00 -0.33 0.09 0.00 0.00 178.44 178.22 3h2l h GLU 128 N 0.47 0.65 -4.84 1.13 5.08 -1.04 -3.45 114.58 112.58 3h2l h GLU 128 Ca 0.03 -0.69 -0.65 0.00 -1.00 0.00 0.00 59.36 57.05 3h2l h GLU 128 Cb 1.01 0.19 -0.36 0.00 0.50 0.00 0.00 28.75 30.09 3h2l h GLU 128 CO 0.09 1.28 -0.83 0.34 -1.00 0.00 0.00 179.01 178.89 3h2l s ASP 129 N -7.24 3.45 -0.14 1.42 -1.08 -0.33 -4.99 116.67 107.77 3h2l s ASP 129 Ca -0.09 -0.87 0.15 0.00 -0.52 0.00 0.00 52.55 51.23 3h2l s ASP 129 Cb 0.07 -1.40 0.49 0.00 -1.46 0.00 0.00 42.92 40.63 3h2l s ASP 129 CO 0.91 -0.09 1.39 0.35 0.52 0.00 0.00 175.17 178.26 3h2l n THR 130 N 4.61 2.04 0.00 1.71 -2.24 -1.26 -4.61 114.28 114.53 3h2l n THR 130 Ca -0.17 -1.70 0.00 0.00 -2.27 0.00 0.00 64.05 59.91 3h2l n THR 130 Cb 0.47 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 3h2l n THR 130 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 3h2l n VAL 131 N -0.29 0.00 -2.37 2.28 0.24 -1.26 -4.63 118.33 112.31 3h2l n VAL 131 Ca 0.19 0.00 -0.43 0.00 -2.04 0.00 0.00 64.34 62.07 3h2l n VAL 131 Cb 0.81 -0.45 -0.02 0.00 -1.47 0.00 0.00 33.84 32.70 3h2l n VAL 131 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3h2l s THR 132 N -1.62 4.07 0.29 3.34 2.01 -1.26 -4.75 115.64 117.71 3h2l s THR 132 Ca 0.00 1.20 -0.29 0.00 0.31 0.00 0.00 61.69 62.91 3h2l s THR 132 Cb 0.00 -4.07 -0.13 0.00 0.01 0.00 0.00 72.50 68.30 3h2l s THR 132 CO 0.00 -0.44 1.27 -2.65 -0.69 0.00 0.00 174.62 172.11 3h2l n PRO 133 N 7.36 1.89 -3.41 4.92 -0.02 -1.26 -4.73 135.00 139.75 3h2l n PRO 133 Ca 0.15 0.67 -0.38 0.00 -2.02 0.00 0.00 63.50 61.92 3h2l n PRO 133 Cb 0.46 -2.23 -0.06 0.00 -0.02 0.00 0.00 33.50 31.66 3h2l n PRO 133 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3h2l s ILE 134 N -0.68 4.95 0.34 4.25 1.01 0.31 -4.94 121.20 126.44 3h2l s ILE 134 Ca 0.61 0.97 -0.28 0.00 0.00 0.00 0.00 60.65 61.95 3h2l s ILE 134 Cb -0.64 -3.78 -0.10 0.00 0.01 0.00 0.00 42.46 37.95 3h2l s ILE 134 CO 0.57 0.55 1.33 -0.62 0.00 0.00 0.00 174.94 176.77 3h2l s ASP 135 N -0.92 6.67 0.17 3.58 2.15 -1.26 -4.35 116.67 122.71 3h2l s ASP 135 Ca 0.26 2.73 0.08 0.00 0.43 0.00 0.00 52.55 56.05 3h2l s ASP 135 Cb -0.17 -2.65 -0.04 0.00 -0.30 0.00 0.00 42.92 39.75 3h2l s ASP 135 CO 0.15 -0.61 -0.17 0.42 -0.17 0.00 0.00 175.17 174.79 3h2l s THR 136 N -1.15 1.75 -0.13 1.71 -4.23 -1.12 -4.30 115.64 108.17 3h2l s THR 136 Ca 0.50 -1.98 -0.07 0.00 -1.18 0.00 0.00 61.69 58.97 3h2l s THR 136 Cb -0.40 -1.87 -0.04 0.00 1.34 0.00 0.00 72.50 71.53 3h2l s THR 136 CO 0.54 -0.40 0.10 -0.89 -0.54 0.00 0.00 174.62 173.43 3h2l s THR 137 N -2.30 5.17 -0.18 3.99 2.01 0.74 -1.34 115.64 123.73 3h2l s THR 137 Ca 0.17 0.09 -0.03 0.00 0.31 0.00 0.00 61.69 62.22 3h2l s THR 137 Cb -0.04 -3.27 -0.02 0.00 0.01 0.00 0.00 72.50 69.18 3h2l s THR 137 CO 0.06 0.57 -0.05 -0.51 -0.69 0.00 0.00 174.62 174.01 3h2l s ILE 138 N -0.60 3.62 0.11 1.82 2.07 -0.50 -1.12 121.20 126.59 3h2l s ILE 138 Ca 0.12 -0.44 0.06 0.00 -1.41 0.00 0.00 60.65 58.98 3h2l s ILE 138 Cb -0.12 -2.60 -0.04 0.00 0.13 0.00 0.00 42.46 39.83 3h2l s ILE 138 CO 0.02 0.46 -0.14 -0.04 -1.91 0.00 0.00 174.94 173.33 3h2l s MET 139 N 0.80 0.98 -0.13 3.50 -1.94 0.10 -4.47 119.30 118.14 3h2l s MET 139 Ca -0.02 -1.17 -0.19 0.00 -1.71 0.00 0.00 55.69 52.60 3h2l s MET 139 Cb -0.15 -0.91 -0.04 0.00 2.01 0.00 0.00 34.83 35.74 3h2l s MET 139 CO 0.02 0.18 0.53 0.00 -0.01 0.00 0.00 175.02 175.74 3h2l s ALA 140 N -1.88 3.47 0.39 3.03 0.00 -1.26 -0.09 121.76 125.41 3h2l s ALA 140 Ca 0.06 -0.18 -0.25 0.00 0.00 0.00 0.00 51.96 51.59 3h2l s ALA 140 Cb -0.06 -2.75 -0.09 0.00 0.00 0.00 0.00 23.12 20.22 3h2l s ALA 140 CO 0.03 -0.13 1.14 0.15 0.00 0.00 0.00 175.76 176.95 3h2l s LYS 141 N 0.92 4.14 -0.42 0.00 1.02 0.13 -4.71 119.74 120.82 3h2l s LYS 141 Ca 0.28 1.78 -0.11 0.00 0.02 0.00 0.00 55.97 57.93 3h2l s LYS 141 Cb -0.16 -2.71 0.06 0.00 -0.52 0.00 0.00 37.83 34.50 3h2l s LYS 141 CO 0.11 -0.22 0.28 -0.80 -0.92 0.00 0.00 175.35 173.80 3h2l s ASN 142 N -1.18 5.80 0.08 2.83 0.01 -1.26 -4.40 114.94 116.82 3h2l s ASN 142 Ca 0.56 -1.31 0.05 0.00 -0.71 0.00 0.00 52.86 51.45 3h2l s ASN 142 Cb -0.29 -2.05 -0.03 0.00 0.41 0.00 0.00 41.25 39.29 3h2l s ASN 142 CO 0.37 -0.52 -0.14 -1.61 -1.51 0.00 0.00 177.10 173.69 3h2l s GLU 143 N 1.52 0.83 -0.15 -0.60 2.02 -1.26 -4.88 118.70 116.18 3h2l s GLU 143 Ca 0.03 -0.99 -0.10 0.00 0.02 0.00 0.00 54.97 53.93 3h2l s GLU 143 Cb -0.22 -0.79 -0.05 0.00 0.10 0.00 0.00 34.13 33.17 3h2l s GLU 143 CO 0.05 0.17 0.17 0.08 0.02 0.00 0.00 175.26 175.75 3h2l s VAL 144 N -1.45 5.42 0.22 2.63 1.01 -1.26 -0.90 120.40 126.06 3h2l s VAL 144 Ca -0.01 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.25 3h2l s VAL 144 Cb -0.09 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 3h2l s VAL 144 CO 0.02 0.52 0.14 -0.36 0.00 0.00 0.00 175.10 175.41 3h2l s PHE 145 N -0.28 1.26 -0.11 5.22 0.08 0.07 -4.76 117.98 119.47 3h2l s PHE 145 Ca 0.13 -1.38 -0.05 0.00 0.12 0.00 0.00 56.93 55.75 3h2l s PHE 145 Cb -0.12 -0.62 -0.04 0.00 -0.57 0.00 0.00 43.02 41.67 3h2l s PHE 145 CO 0.02 -0.61 0.07 0.00 -0.10 0.00 0.00 175.22 174.60 3h2l n VAL 147 N 2.22 2.96 0.00 0.00 0.24 -0.02 -5.00 118.33 118.74 3h2l n VAL 147 Ca -0.19 -0.50 0.00 0.00 -2.04 0.00 0.00 64.34 61.61 3h2l n VAL 147 Cb 0.54 -1.27 0.00 0.00 -1.47 0.00 0.00 33.84 31.65 3h2l n VAL 147 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3h2l n GLN 148 N -0.34 1.02 -3.77 7.34 6.02 -1.26 -5.07 117.38 121.32 3h2l n GLN 148 Ca 0.10 0.00 -0.33 0.00 -0.01 0.00 0.00 57.00 56.76 3h2l n GLN 148 Cb 0.42 -0.83 -0.05 0.00 1.02 0.00 0.00 30.24 30.80 3h2l n GLN 148 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3h2l s ARG 154 N -1.67 3.56 0.06 -1.09 0.52 -1.26 -5.29 118.95 113.78 3h2l s ARG 154 Ca 0.00 -0.15 -0.21 0.00 -0.52 0.00 0.00 55.73 54.85 3h2l s ARG 154 Cb 0.00 -3.02 -0.06 0.00 0.52 0.00 0.00 34.95 32.38 3h2l s ARG 154 CO 0.00 0.60 0.62 0.15 0.02 0.00 0.00 175.30 176.69 3h2l s LYS 155 N -2.09 4.31 0.55 3.54 1.02 -1.26 -5.07 119.74 120.75 3h2l s LYS 155 Ca 0.32 0.82 -0.19 0.00 0.02 0.00 0.00 55.97 56.94 3h2l s LYS 155 Cb -0.13 -3.28 -0.05 0.00 -0.52 0.00 0.00 37.83 33.84 3h2l s LYS 155 CO 0.20 0.52 1.10 -2.14 -0.92 0.00 0.00 175.35 174.11 3h2l s PRO 156 N -0.75 3.38 0.19 -1.68 0.02 -1.26 -4.84 135.00 130.06 3h2l s PRO 156 Ca 0.31 1.48 -0.32 0.00 0.02 0.00 0.00 61.00 62.49 3h2l s PRO 156 Cb -0.20 -2.02 -0.15 0.00 0.02 0.00 0.00 34.50 32.15 3h2l s PRO 156 CO 0.20 -0.80 1.22 0.00 -0.33 0.00 0.00 177.00 177.28 3h2l n ALA 157 N -1.45 -0.31 -1.67 -1.55 0.00 -1.26 -4.95 120.51 109.32 3h2l n ALA 157 Ca 0.11 0.45 -0.34 0.00 0.00 0.00 0.00 53.44 53.66 3h2l n ALA 157 Cb 0.52 -2.09 0.01 0.00 0.00 0.00 0.00 19.45 17.89 3h2l n ALA 157 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3h2l s ARG 158 N -0.43 3.27 -0.11 0.00 0.52 -1.26 -4.69 118.95 116.25 3h2l s ARG 158 Ca 0.71 1.37 -0.05 0.00 -0.52 0.00 0.00 55.73 57.24 3h2l s ARG 158 Cb -0.80 -2.01 -0.04 0.00 0.52 0.00 0.00 34.95 32.62 3h2l s ARG 158 CO 0.52 -0.87 0.09 -0.51 0.02 0.00 0.00 175.30 174.54 3h2l s LEU 159 N -4.27 4.06 -0.08 2.53 1.43 -1.26 0.18 118.68 121.26 3h2l s LEU 159 Ca 0.67 0.32 0.02 0.00 -1.03 0.00 0.00 54.13 54.11 3h2l s LEU 159 Cb -0.19 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 3h2l s LEU 159 CO 0.33 0.38 -0.13 -0.51 0.23 0.00 0.00 176.35 176.65 3h2l s ILE 160 N -0.86 3.12 -0.11 -0.59 1.10 0.86 -4.84 121.20 119.88 3h2l s ILE 160 Ca 0.14 -0.68 0.01 0.00 -0.51 0.00 0.00 60.65 59.61 3h2l s ILE 160 Cb -0.12 -2.26 0.02 0.00 0.15 0.00 0.00 42.46 40.25 3h2l s ILE 160 CO 0.03 0.57 -0.13 -0.69 -2.11 0.00 0.00 174.94 172.60 3h2l s VAL 161 N -0.32 1.40 -0.08 4.00 1.01 -1.26 -0.72 120.40 124.42 3h2l s VAL 161 Ca 0.03 -0.57 -0.15 0.00 0.00 0.00 0.00 61.98 61.29 3h2l s VAL 161 Cb -0.13 -1.30 0.03 0.00 0.00 0.00 0.00 36.38 34.99 3h2l s VAL 161 CO 0.02 0.42 0.38 0.72 0.00 0.00 0.00 175.10 176.64 3h2l s PHE 162 N 1.16 -0.34 0.75 5.22 -0.71 -0.28 -0.24 117.98 123.54 3h2l s PHE 162 Ca -0.03 0.71 -0.08 0.00 -1.04 0.00 0.00 56.93 56.49 3h2l s PHE 162 Cb -0.14 0.14 0.09 0.00 -1.21 0.00 0.00 43.02 41.90 3h2l s PHE 162 CO -0.04 -0.32 1.07 -1.25 -1.34 0.00 0.00 175.22 173.34 3h2l s PRO 163 N -0.58 1.91 0.71 1.99 0.04 -1.26 -0.18 135.00 137.62 3h2l s PRO 163 Ca -0.07 -0.34 -0.16 0.00 0.04 0.00 0.00 61.00 60.47 3h2l s PRO 163 Cb -0.04 -2.13 0.03 0.00 0.04 0.00 0.00 34.50 32.41 3h2l s PRO 163 CO 0.03 -1.45 1.22 0.34 0.04 0.00 0.00 177.00 177.18 3h2l s ASP 164 N -4.60 4.32 0.33 6.66 2.15 -1.26 -4.73 116.67 119.54 3h2l s ASP 164 Ca 0.63 2.39 0.11 0.00 0.43 0.00 0.00 52.55 56.11 3h2l s ASP 164 Cb -0.09 -2.59 0.98 0.00 -0.30 0.00 0.00 42.92 40.92 3h2l s ASP 164 CO 0.46 -2.18 1.68 0.25 -0.17 0.00 0.00 175.17 175.21 3h2l h LEU 165 N -0.10 0.48 -0.48 -1.34 5.85 -1.82 -1.24 115.31 116.66 3h2l h LEU 165 Ca -0.48 0.18 -0.04 0.00 0.84 0.00 0.00 57.88 58.38 3h2l h LEU 165 Cb 1.30 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.44 3h2l h LEU 165 CO 0.50 -0.08 0.15 1.23 -0.34 0.00 0.00 178.44 179.91 3h2l h GLY 166 N 0.37 0.80 1.00 3.75 0.00 -1.95 -1.62 103.07 105.41 3h2l h GLY 166 Ca 0.68 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 47.54 3h2l h GLY 166 CO -0.58 0.44 0.40 -2.08 0.00 0.00 0.00 176.54 174.72 3h2l h VAL 167 N 0.64 1.19 -0.95 4.60 2.07 -1.61 -2.42 116.25 119.77 3h2l h VAL 167 Ca 0.16 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.26 3h2l h VAL 167 Cb 0.27 0.27 -0.05 0.00 -1.52 0.00 0.00 31.29 30.26 3h2l h VAL 167 CO -0.01 0.20 0.63 0.03 0.02 0.00 0.00 177.57 178.44 3h2l h ARG 168 N 0.90 1.25 -0.62 1.57 3.08 -0.95 0.20 114.38 119.81 3h2l h ARG 168 Ca 0.24 -0.08 -0.09 0.00 0.07 0.00 0.00 59.98 60.13 3h2l h ARG 168 Cb -0.03 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 29.72 3h2l h ARG 168 CO -0.04 0.83 0.05 0.28 -1.07 0.00 0.00 179.97 180.01 3h2l h VAL 169 N 1.29 1.26 -0.62 2.04 2.07 -1.14 -2.70 116.25 118.45 3h2l h VAL 169 Ca 0.35 -1.09 -0.08 0.00 0.82 0.00 0.00 66.70 66.70 3h2l h VAL 169 Cb -0.15 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 3h2l h VAL 169 CO -0.08 0.40 0.09 0.00 0.02 0.00 0.00 177.57 178.00 3h2l h GLU 171 N 0.95 0.36 -0.58 0.00 5.08 -0.54 -1.22 114.58 118.64 3h2l h GLU 171 Ca 0.19 -0.02 0.09 0.00 -1.00 0.00 0.00 59.36 58.61 3h2l h GLU 171 Cb 0.45 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.55 3h2l h GLU 171 CO 0.02 0.24 0.21 0.87 -1.00 0.00 0.00 179.01 179.35 3h2l h LYS 172 N 0.38 0.38 -0.30 2.33 1.57 -1.14 0.16 116.57 119.95 3h2l h LYS 172 Ca 0.24 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 59.01 3h2l h LYS 172 Cb 0.24 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 3h2l h LYS 172 CO -0.24 0.25 0.18 0.52 -0.57 0.00 0.00 179.45 179.59 3h2l h MET 173 N 0.39 0.35 -0.21 3.15 2.86 -0.86 -1.96 114.93 118.65 3h2l h MET 173 Ca 0.29 -0.02 -0.19 0.00 -2.06 0.00 0.00 59.70 57.72 3h2l h MET 173 Cb 0.34 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 31.92 3h2l h MET 173 CO -0.29 0.23 -0.62 0.00 1.06 0.00 0.00 176.91 177.29 3h2l h ALA 174 N 1.13 0.51 0.00 6.32 0.00 -0.87 -2.09 119.26 124.26 3h2l h ALA 174 Ca 0.12 -0.54 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3h2l h ALA 174 Cb -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3h2l h ALA 174 CO -0.06 0.69 -0.05 1.28 0.00 0.00 0.00 179.25 181.12 3h2l n LEU 175 N -3.96 0.00 -0.06 0.00 4.77 0.54 -4.75 117.00 113.54 3h2l n LEU 175 Ca -0.05 -0.22 -0.08 0.00 -0.03 0.00 0.00 56.01 55.63 3h2l n LEU 175 Cb 0.66 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.73 3h2l n LEU 175 CO 0.50 0.00 0.81 0.22 -1.33 0.00 0.00 177.39 177.59 3h2l h TYR 176 N 0.00 -0.17 -0.86 -1.77 3.20 -1.43 0.14 116.97 116.09 3h2l h TYR 176 Ca 0.00 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 3h2l h TYR 176 Cb 0.00 0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.34 3h2l h TYR 176 CO 0.00 -0.12 0.53 0.22 -1.64 0.00 0.00 178.16 177.15 3h2l h ASP 177 N -0.02 1.02 0.55 -2.11 3.58 -1.80 -1.30 116.42 116.33 3h2l h ASP 177 Ca 0.12 -0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.49 3h2l h ASP 177 Cb 0.21 -0.26 0.01 0.00 1.72 0.00 0.00 39.33 41.01 3h2l h ASP 177 CO -0.27 0.77 -0.27 0.58 -2.88 0.00 0.00 179.24 177.18 3h2l h VAL 178 N 1.17 0.45 0.00 2.25 2.07 -1.56 -1.94 116.25 118.69 3h2l h VAL 178 Ca 0.31 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 67.76 3h2l h VAL 178 Cb -0.07 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 3h2l h VAL 178 CO -0.06 0.01 0.00 -0.37 0.02 0.00 0.00 177.57 177.17 3h2l h VAL 179 N -0.79 0.00 0.00 2.57 -1.51 -0.69 0.20 116.25 116.03 3h2l h VAL 179 Ca -0.08 -0.34 -0.17 0.00 -1.23 0.00 0.00 66.70 64.88 3h2l h VAL 179 Cb 0.59 1.34 -0.03 0.00 -2.13 0.00 0.00 31.29 31.06 3h2l h VAL 179 CO 0.12 0.00 -0.92 0.28 -1.23 0.00 0.00 177.57 175.83 3h2l h SER 180 N 0.00 0.00 0.00 4.19 0.02 -1.04 -3.42 113.55 113.30 3h2l h SER 180 Ca 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 3h2l h SER 180 Cb 0.34 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 3h2l h SER 180 CO 0.00 0.78 -1.21 0.41 -1.14 0.00 0.00 176.83 175.67 3h2l n THR 181 N -3.24 0.21 -0.18 -2.27 -1.04 -0.75 -4.63 114.28 102.38 3h2l n THR 181 Ca -0.02 -0.08 -0.06 0.00 -2.04 0.00 0.00 64.05 61.86 3h2l n THR 181 Cb 0.87 -0.65 0.03 0.00 -1.82 0.00 0.00 70.33 68.76 3h2l n THR 181 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3h2l h LEU 182 N -0.00 0.56 -0.84 -4.42 6.46 -0.82 -3.25 115.31 112.99 3h2l h LEU 182 Ca -0.08 -0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.62 3h2l h LEU 182 Cb 1.13 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 40.90 3h2l h LEU 182 CO -0.01 0.40 0.25 -0.65 -0.62 0.00 0.00 178.44 177.81 3h2l h PRO 183 N 0.67 1.11 -0.39 5.25 0.11 -1.82 -1.47 132.00 135.46 3h2l h PRO 183 Ca 0.21 -0.22 -0.09 0.00 0.11 0.00 0.00 66.00 66.01 3h2l h PRO 183 Cb -0.02 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 30.90 3h2l h PRO 183 CO -0.07 0.93 -0.12 0.37 -0.21 0.00 0.00 178.00 178.89 3h2l h GLN 184 N 1.08 0.70 -0.42 1.05 -0.00 -1.87 0.82 115.11 116.46 3h2l h GLN 184 Ca 0.24 -0.23 -0.02 0.00 -0.00 0.00 0.00 58.65 58.64 3h2l h GLN 184 Cb 0.26 -0.06 -0.02 0.00 0.00 0.00 0.00 27.48 27.66 3h2l h GLN 184 CO -0.01 0.80 0.19 0.28 0.00 0.00 0.00 178.83 180.09 3h2l h VAL 185 N 0.63 1.19 -0.04 2.39 2.07 -1.47 0.35 116.25 121.37 3h2l h VAL 185 Ca 0.11 -0.54 -0.24 0.00 0.82 0.00 0.00 66.70 66.84 3h2l h VAL 185 Cb 0.58 0.76 0.01 0.00 -1.52 0.00 0.00 31.29 31.12 3h2l h VAL 185 CO 0.04 0.20 -0.94 0.58 0.02 0.00 0.00 177.57 177.47 3h2l h VAL 186 N 0.54 1.32 -0.00 2.57 2.07 -1.08 -3.36 116.25 118.31 3h2l h VAL 186 Ca 0.14 -2.23 0.00 0.00 0.82 0.00 0.00 66.70 65.44 3h2l h VAL 186 Cb 0.14 2.28 0.00 0.00 -1.52 0.00 0.00 31.29 32.19 3h2l h VAL 186 CO -0.02 0.69 -0.47 0.23 0.02 0.00 0.00 177.57 178.01 3h2l n MET 187 N -3.84 2.87 0.00 1.57 2.81 0.26 -4.90 117.12 115.89 3h2l n MET 187 Ca -0.09 -0.17 0.00 0.00 -1.81 0.00 0.00 57.70 55.64 3h2l n MET 187 Cb 0.83 -1.07 0.00 0.00 -0.71 0.00 0.00 33.22 32.27 3h2l n MET 187 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3h2l n GLY 188 N 1.20 2.74 0.13 3.03 0.00 0.12 -1.55 105.19 110.88 3h2l n GLY 188 Ca 0.03 -0.30 0.08 0.00 0.00 0.00 0.00 46.02 45.83 3h2l n GLY 188 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h2l n SER 189 N 0.96 0.43 0.21 1.61 3.41 -1.26 -1.75 113.62 117.22 3h2l n SER 189 Ca 0.00 0.68 0.14 0.00 -0.26 0.00 0.00 58.87 59.43 3h2l n SER 189 Cb 0.00 -0.72 0.47 0.00 -0.26 0.00 0.00 64.21 63.70 3h2l n SER 189 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3h2l h SER 190 N 0.00 0.00 -3.48 4.04 0.02 -1.47 -3.43 113.55 109.22 3h2l h SER 190 Ca 0.00 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.39 3h2l h SER 190 Cb 0.11 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 62.58 3h2l h SER 190 CO 0.00 0.00 0.95 -0.47 -1.14 0.00 0.00 176.83 176.17 3h2l s TYR 191 N -3.39 2.77 0.23 3.45 5.04 -0.72 -1.36 117.35 123.38 3h2l s TYR 191 Ca 0.05 0.81 0.18 0.00 -2.44 0.00 0.00 57.07 55.67 3h2l s TYR 191 Cb 0.08 -4.22 0.74 0.00 0.35 0.00 0.00 41.96 38.92 3h2l s TYR 191 CO 0.56 -1.38 1.77 0.78 -1.34 0.00 0.00 175.55 175.94 3h2l h GLY 192 N 11.18 0.00 1.60 8.97 0.00 -1.49 -3.25 103.07 120.08 3h2l h GLY 192 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.09 3h2l h GLY 192 CO 1.09 0.00 0.00 0.69 0.00 0.00 0.00 176.54 178.32 3h2l n PHE 193 N -3.65 0.00 0.78 5.60 3.72 -1.26 -2.40 117.46 120.25 3h2l n PHE 193 Ca -0.01 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.51 3h2l n PHE 193 Cb 0.47 -0.30 0.50 0.00 -0.94 0.00 0.00 39.48 39.21 3h2l n PHE 193 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3h2l n GLN 194 N -1.30 0.04 -3.90 -1.08 10.64 -1.23 -3.14 117.38 117.41 3h2l n GLN 194 Ca 0.13 0.12 -0.35 0.00 -1.83 0.00 0.00 57.00 55.07 3h2l n GLN 194 Cb 0.23 -1.56 -0.08 0.00 -0.86 0.00 0.00 30.24 27.98 3h2l n GLN 194 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 3h2l s TYR 195 N -3.03 3.41 1.00 2.61 2.02 -1.01 -4.65 117.35 117.70 3h2l s TYR 195 Ca 0.11 0.32 -0.13 0.00 -0.37 0.00 0.00 57.07 57.00 3h2l s TYR 195 Cb 0.15 -2.04 0.19 0.00 -0.40 0.00 0.00 41.96 39.86 3h2l s TYR 195 CO 0.45 0.42 1.10 -1.54 -1.57 0.00 0.00 175.55 174.41 3h2l s SER 196 N -0.19 2.62 0.27 2.29 1.04 -1.26 -4.78 113.70 113.68 3h2l s SER 196 Ca 0.09 1.12 -0.04 0.00 0.48 0.00 0.00 55.95 57.60 3h2l s SER 196 Cb -0.12 -1.76 0.35 0.00 0.10 0.00 0.00 66.02 64.59 3h2l s SER 196 CO 0.01 -3.13 1.92 -0.65 0.98 0.00 0.00 173.24 172.38 3h2l h PRO 197 N -1.89 1.22 -0.58 4.02 0.11 -1.92 -0.84 132.00 132.13 3h2l h PRO 197 Ca -0.54 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 65.49 3h2l h PRO 197 Cb 1.33 -0.28 -0.03 0.00 0.11 0.00 0.00 31.00 32.14 3h2l h PRO 197 CO 0.58 0.81 0.35 0.78 -0.21 0.00 0.00 178.00 180.31 3h2l h GLY 198 N 1.26 0.84 1.47 -0.55 0.00 -1.42 -1.98 103.07 102.69 3h2l h GLY 198 Ca 0.38 -0.34 -0.08 0.00 0.00 0.00 0.00 47.33 47.28 3h2l h GLY 198 CO -0.10 0.33 -0.11 1.46 0.00 0.00 0.00 176.54 178.12 3h2l h GLN 199 N 0.78 0.64 -0.23 4.80 4.20 -1.74 -2.52 115.11 121.05 3h2l h GLN 199 Ca 0.21 -0.19 -0.10 0.00 0.06 0.00 0.00 58.65 58.62 3h2l h GLN 199 Cb -0.02 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 27.69 3h2l h GLN 199 CO -0.04 0.73 -0.27 -0.09 -0.67 0.00 0.00 178.83 178.50 3h2l h ARG 200 N 0.59 0.58 -0.56 1.46 2.43 -0.84 -1.24 114.38 116.79 3h2l h ARG 200 Ca 0.11 -0.32 -0.09 0.00 -0.81 0.00 0.00 59.98 58.86 3h2l h ARG 200 Cb 0.53 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.08 3h2l h ARG 200 CO 0.03 0.92 -0.01 0.28 -1.51 0.00 0.00 179.97 179.68 3h2l h VAL 201 N 0.27 1.26 -0.22 0.20 2.07 -1.40 -1.56 116.25 116.88 3h2l h VAL 201 Ca 0.03 -1.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 3h2l h VAL 201 Cb 0.84 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 3h2l h VAL 201 CO 0.06 0.40 0.13 -0.08 0.02 0.00 0.00 177.57 178.11 3h2l h GLU 202 N 0.89 0.31 -0.50 1.57 4.81 -1.39 -0.31 114.58 119.96 3h2l h GLU 202 Ca 0.16 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3h2l h GLU 202 Cb 0.54 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 3h2l h GLU 202 CO 0.03 0.27 0.29 0.35 -0.73 0.00 0.00 179.01 179.21 3h2l h PHE 203 N 0.26 0.68 0.12 0.92 3.57 -1.09 0.13 116.94 121.53 3h2l h PHE 203 Ca 0.08 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 3h2l h PHE 203 Cb 0.04 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.57 3h2l h PHE 203 CO -0.04 0.49 -0.06 -0.07 -2.23 0.00 0.00 178.31 176.40 3h2l h LEU 204 N 0.67 -0.13 -0.09 0.59 3.38 -1.08 -0.69 115.31 117.96 3h2l h LEU 204 Ca 0.18 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 58.04 3h2l h LEU 204 Cb 0.03 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3h2l h LEU 204 CO -0.03 0.04 0.03 0.58 0.09 0.00 0.00 178.44 179.15 3h2l h VAL 205 N -0.30 0.99 -0.62 1.22 2.07 -0.99 0.11 116.25 118.73 3h2l h VAL 205 Ca -0.02 -0.03 0.04 0.00 0.82 0.00 0.00 66.70 67.52 3h2l h VAL 205 Cb 0.25 0.90 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 3h2l h VAL 205 CO 0.03 0.01 0.36 0.78 0.02 0.00 0.00 177.57 178.77 3h2l h ASN 206 N 0.08 0.55 -0.63 0.57 2.35 -0.75 -0.08 115.58 117.67 3h2l h ASN 206 Ca 0.03 0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.74 3h2l h ASN 206 Cb 0.01 -0.10 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 3h2l h ASN 206 CO -0.03 0.37 0.17 0.74 -1.65 0.00 0.00 177.43 177.03 3h2l h THR 207 N 0.68 1.25 -0.50 2.81 2.02 -0.85 -1.00 112.91 117.32 3h2l h THR 207 Ca 0.26 -0.90 -0.00 0.00 0.77 0.00 0.00 66.41 66.54 3h2l h THR 207 Cb 0.10 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 3h2l h THR 207 CO -0.14 0.34 0.31 -0.25 0.37 0.00 0.00 175.52 176.15 3h2l h TRP 208 N 0.92 0.65 0.00 3.16 2.91 -0.31 -2.82 115.95 120.47 3h2l h TRP 208 Ca 0.20 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.22 3h2l h TRP 208 Cb 0.34 -0.22 0.00 0.00 -0.51 0.00 0.00 29.16 28.77 3h2l h TRP 208 CO 0.02 0.44 0.00 1.63 -1.03 0.00 0.00 178.44 179.51 3h2l n LYS 209 N -4.70 0.21 0.00 2.65 5.02 -0.09 -2.84 118.16 118.41 3h2l n LYS 209 Ca 0.02 0.30 0.15 0.00 -2.02 0.00 0.00 58.31 56.76 3h2l n LYS 209 Cb 0.05 -1.81 0.77 0.00 -0.02 0.00 0.00 35.03 34.01 3h2l n LYS 209 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 3h2l n SER 210 N -2.19 0.00 -4.77 4.39 3.41 -0.41 -4.79 113.62 109.26 3h2l n SER 210 Ca 0.04 -0.17 -0.36 0.00 -0.26 0.00 0.00 58.87 58.13 3h2l n SER 210 Cb 0.33 -0.28 -0.08 0.00 -0.26 0.00 0.00 64.21 63.92 3h2l n SER 210 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3h2l s LYS 211 N -2.56 3.18 0.07 4.33 -0.14 -1.13 -5.03 119.74 118.46 3h2l s LYS 211 Ca 0.29 -0.30 -0.32 0.00 -1.36 0.00 0.00 55.97 54.28 3h2l s LYS 211 Cb 0.20 -2.96 -0.18 0.00 -1.68 0.00 0.00 37.83 33.21 3h2l s LYS 211 CO 0.46 0.73 1.63 0.87 -0.76 0.00 0.00 175.35 178.28 3h2l h LYS 212 N 4.99 -0.80 -3.04 1.68 1.57 -1.88 -3.37 116.57 115.71 3h2l h LYS 212 Ca -0.52 0.05 -0.62 0.00 -1.87 0.00 0.00 60.65 57.69 3h2l h LYS 212 Cb 1.21 0.18 -0.40 0.00 0.08 0.00 0.00 32.23 33.29 3h2l h LYS 212 CO 0.57 -0.53 -0.71 -0.80 -0.57 0.00 0.00 179.45 177.41 3h2l s ASN 213 N -4.47 3.81 0.17 0.86 -0.87 -1.26 -5.07 114.94 108.12 3h2l s ASN 213 Ca -0.17 -2.94 -0.30 0.00 -1.57 0.00 0.00 52.86 47.87 3h2l s ASN 213 Cb 0.04 -1.22 -0.08 0.00 -0.02 0.00 0.00 41.25 39.96 3h2l s ASN 213 CO 0.62 -0.22 1.33 -2.16 -2.57 0.00 0.00 177.10 174.10 3h2l s PRO 214 N -0.11 4.37 -0.01 -0.60 0.04 -1.26 -0.20 135.00 137.23 3h2l s PRO 214 Ca 0.20 2.05 0.05 0.00 0.04 0.00 0.00 61.00 63.33 3h2l s PRO 214 Cb -0.19 -3.21 -0.01 0.00 0.04 0.00 0.00 34.50 31.12 3h2l s PRO 214 CO -0.04 -0.30 -0.15 1.41 0.04 0.00 0.00 177.00 177.96 3h2l s MET 215 N 0.24 1.21 0.07 4.56 1.75 -0.03 -4.70 119.30 122.41 3h2l s MET 215 Ca 0.59 -0.55 -0.01 0.00 -1.25 0.00 0.00 55.69 54.47 3h2l s MET 215 Cb -0.36 -1.17 -0.04 0.00 2.84 0.00 0.00 34.83 36.10 3h2l s MET 215 CO 0.36 0.32 -0.01 0.20 -0.65 0.00 0.00 175.02 175.24 3h2l s GLY 216 N -0.39 0.62 -0.04 2.11 0.00 -0.58 0.46 107.32 109.50 3h2l s GLY 216 Ca 0.06 -1.28 -0.28 0.00 0.00 0.00 0.00 44.72 43.21 3h2l s GLY 216 CO -0.00 -1.34 0.62 -0.11 0.00 0.00 0.00 173.10 172.26 3h2l s PHE 217 N -3.93 -0.57 0.14 1.90 -0.71 -0.28 -0.14 117.98 114.39 3h2l s PHE 217 Ca 0.12 0.96 -0.04 0.00 -1.04 0.00 0.00 56.93 56.93 3h2l s PHE 217 Cb 0.08 0.36 -0.05 0.00 -1.21 0.00 0.00 43.02 42.20 3h2l s PHE 217 CO -0.07 -0.58 0.36 -1.54 -1.34 0.00 0.00 175.22 172.05 3h2l s SER 218 N -1.27 6.46 -0.21 1.98 1.04 -1.26 -0.96 113.70 119.48 3h2l s SER 218 Ca -0.11 0.52 0.02 0.00 0.48 0.00 0.00 55.95 56.86 3h2l s SER 218 Cb -0.01 -2.06 0.04 0.00 0.10 0.00 0.00 66.02 64.09 3h2l s SER 218 CO 0.08 0.05 -0.13 -0.47 0.98 0.00 0.00 173.24 173.75 3h2l s TYR 219 N -1.68 2.74 -0.46 5.02 5.04 -0.34 -4.67 117.35 123.01 3h2l s TYR 219 Ca 0.40 -1.82 -0.17 0.00 -2.44 0.00 0.00 57.07 53.04 3h2l s TYR 219 Cb -0.12 -1.78 0.05 0.00 0.35 0.00 0.00 41.96 40.46 3h2l s TYR 219 CO 0.26 -0.80 0.44 0.34 -1.34 0.00 0.00 175.55 174.45 3h2l s ASP 220 N 1.29 6.17 0.18 4.32 2.15 -1.26 -4.17 116.67 125.35 3h2l s ASP 220 Ca -0.02 -1.02 -0.30 0.00 0.43 0.00 0.00 52.55 51.63 3h2l s ASP 220 Cb -0.17 -2.21 -0.08 0.00 -0.30 0.00 0.00 42.92 40.17 3h2l s ASP 220 CO -0.08 -0.65 1.08 -0.89 -0.17 0.00 0.00 175.17 174.45 3h2l s THR 221 N 1.97 3.91 -0.18 1.71 2.01 -1.26 -0.11 115.64 123.69 3h2l s THR 221 Ca 0.08 1.67 -0.29 0.00 0.31 0.00 0.00 61.69 63.46 3h2l s THR 221 Cb -0.21 -4.06 -0.01 0.00 0.01 0.00 0.00 72.50 68.23 3h2l s THR 221 CO 0.10 0.30 1.24 -0.60 -0.69 0.00 0.00 174.62 174.97 3h2l s ARG 222 N -0.43 4.22 -1.12 4.92 3.52 -0.66 -4.02 118.95 125.37 3h2l s ARG 222 Ca 0.48 1.61 -0.22 0.00 -0.13 0.00 0.00 55.73 57.48 3h2l s ARG 222 Cb -0.29 -3.76 0.00 0.00 -1.56 0.00 0.00 34.95 29.34 3h2l s ARG 222 CO 0.35 -0.72 0.77 0.00 -0.81 0.00 0.00 175.30 174.89 3h2l h PHE 224 N -1.86 0.19 -0.68 0.00 3.57 -1.97 -0.44 116.94 115.75 3h2l h PHE 224 Ca -0.65 0.05 0.01 0.00 3.53 0.00 0.00 57.97 60.91 3h2l h PHE 224 Cb 1.36 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 40.11 3h2l h PHE 224 CO 0.33 -0.19 0.45 -0.44 -2.23 0.00 0.00 178.31 176.23 3h2l h ASP 225 N 0.19 0.79 0.94 0.41 3.32 -1.91 0.07 116.42 120.22 3h2l h ASP 225 Ca 0.47 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.47 3h2l h ASP 225 Cb 0.88 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 40.23 3h2l h ASP 225 CO -0.63 0.57 -0.14 0.28 -1.72 0.00 0.00 179.24 177.61 3h2l h SER 226 N 0.93 0.00 1.60 6.45 0.02 -1.39 -2.57 113.55 118.59 3h2l h SER 226 Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 3h2l h SER 226 Cb -0.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.44 3h2l h SER 226 CO -0.05 0.14 -0.17 0.71 -1.14 0.00 0.00 176.83 176.31 3h2l h THR 227 N 0.00 0.00 -2.76 -2.27 1.35 -0.64 -3.45 112.91 105.14 3h2l h THR 227 Ca -0.00 -0.77 -0.56 0.00 -0.55 0.00 0.00 66.41 64.53 3h2l h THR 227 Cb 0.64 1.67 -0.02 0.00 -1.73 0.00 0.00 68.15 68.71 3h2l h THR 227 CO 0.02 0.00 1.00 -0.69 -0.25 0.00 0.00 175.52 175.60 3h2l s VAL 228 N -3.19 3.92 0.57 6.82 1.01 -1.10 -4.81 120.40 123.64 3h2l s VAL 228 Ca 0.07 1.11 0.05 0.00 0.00 0.00 0.00 61.98 63.21 3h2l s VAL 228 Cb 0.09 -3.72 0.07 0.00 0.00 0.00 0.00 36.38 32.81 3h2l s VAL 228 CO 0.66 -0.10 0.79 0.42 0.00 0.00 0.00 175.10 176.87 3h2l s THR 229 N 3.81 2.45 0.22 3.92 -4.23 -1.26 -3.99 115.64 116.55 3h2l s THR 229 Ca 0.64 -0.81 -0.09 0.00 -1.18 0.00 0.00 61.69 60.26 3h2l s THR 229 Cb -0.27 -2.64 0.19 0.00 1.34 0.00 0.00 72.50 71.12 3h2l s THR 229 CO 0.22 0.00 1.89 -0.08 -0.54 0.00 0.00 174.62 176.11 3h2l h GLU 230 N 0.06 1.13 -0.53 3.99 4.81 -1.88 -2.60 114.58 119.57 3h2l h GLU 230 Ca -0.37 -0.08 0.09 0.00 -0.13 0.00 0.00 59.36 58.88 3h2l h GLU 230 Cb 1.28 -0.25 -0.08 0.00 0.63 0.00 0.00 28.75 30.34 3h2l h GLU 230 CO 0.44 0.77 0.10 -0.97 -0.73 0.00 0.00 179.01 178.62 3h2l h ASN 231 N 1.16 -0.02 -0.73 1.04 -1.24 -1.97 -1.23 115.58 112.59 3h2l h ASN 231 Ca 0.31 0.10 -0.02 0.00 0.71 0.00 0.00 56.30 57.40 3h2l h ASN 231 Cb -0.10 0.14 -0.03 0.00 0.73 0.00 0.00 38.32 39.05 3h2l h ASN 231 CO -0.06 0.01 0.38 0.44 -1.29 0.00 0.00 177.43 176.92 3h2l h ASP 232 N 0.23 0.93 0.45 1.15 3.32 -1.86 -0.24 116.42 120.40 3h2l h ASP 232 Ca 0.27 -0.11 -0.16 0.00 0.02 0.00 0.00 57.03 57.05 3h2l h ASP 232 Cb 0.37 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3h2l h ASP 232 CO -0.36 0.77 -0.68 0.40 -1.72 0.00 0.00 179.24 177.66 3h2l h ILE 233 N 1.01 1.42 -0.17 0.35 2.04 -1.17 -0.34 117.51 120.65 3h2l h ILE 233 Ca 0.26 -2.17 -0.20 0.00 1.00 0.00 0.00 64.86 63.75 3h2l h ILE 233 Cb 0.07 2.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.29 3h2l h ILE 233 CO -0.04 0.64 -0.67 0.03 0.00 0.00 0.00 178.15 178.10 3h2l h ARG 234 N 0.14 0.69 -0.37 2.37 3.08 -0.95 -2.25 114.38 117.08 3h2l h ARG 234 Ca -0.02 -0.51 -0.05 0.00 0.07 0.00 0.00 59.98 59.48 3h2l h ARG 234 Cb 1.21 0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.33 3h2l h ARG 234 CO 0.10 1.13 0.05 0.28 -1.07 0.00 0.00 179.97 180.46 3h2l h VAL 235 N 0.49 1.24 -0.40 2.04 2.07 -0.88 -0.67 116.25 120.14 3h2l h VAL 235 Ca -0.02 -0.86 0.08 0.00 0.82 0.00 0.00 66.70 66.72 3h2l h VAL 235 Cb 1.27 1.09 -0.09 0.00 -1.52 0.00 0.00 31.29 32.05 3h2l h VAL 235 CO 0.13 0.29 -0.20 -0.08 0.02 0.00 0.00 177.57 177.74 3h2l h GLU 236 N 0.45 -0.12 -0.98 1.57 4.81 -1.09 -1.78 114.58 117.43 3h2l h GLU 236 Ca 0.11 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.37 3h2l h GLU 236 Cb 0.37 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.73 3h2l h GLU 236 CO 0.01 -0.08 0.65 1.49 -0.73 0.00 0.00 179.01 180.35 3h2l h GLU 237 N -0.13 1.27 0.00 1.92 4.81 -1.09 -1.78 114.58 119.58 3h2l h GLU 237 Ca 0.20 -0.08 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 3h2l h GLU 237 Cb 0.43 -0.29 -0.00 0.00 0.63 0.00 0.00 28.75 29.52 3h2l h GLU 237 CO -0.48 0.84 -0.12 0.66 -0.73 0.00 0.00 179.01 179.18 3h2l h SER 238 N 1.31 0.00 -0.02 1.04 4.64 -0.37 0.71 113.55 120.85 3h2l h SER 238 Ca 0.37 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.60 3h2l h SER 238 Cb -0.11 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 61.98 3h2l h SER 238 CO -0.09 0.12 -0.33 0.40 -0.87 0.00 0.00 176.83 176.05 3h2l h ILE 239 N 0.00 1.48 -0.59 0.95 2.04 -0.63 -2.95 117.51 117.82 3h2l h ILE 239 Ca -0.00 -1.88 0.08 0.00 1.00 0.00 0.00 64.86 64.06 3h2l h ILE 239 Cb 0.27 2.58 -0.06 0.00 -0.74 0.00 0.00 36.82 38.86 3h2l h ILE 239 CO 0.02 0.53 0.25 1.88 0.00 0.00 0.00 178.15 180.82 3h2l h TYR 240 N -0.31 0.44 0.00 1.37 0.05 -0.80 -2.13 116.97 115.58 3h2l h TYR 240 Ca -0.03 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.77 3h2l h TYR 240 Cb 1.04 -0.11 0.00 0.00 1.01 0.00 0.00 36.73 38.67 3h2l h TYR 240 CO 0.15 0.15 0.00 1.96 -1.05 0.00 0.00 178.16 179.37 3h2l h GLN 241 N 0.45 0.00 0.00 4.88 1.08 -0.91 -1.90 115.11 118.72 3h2l h GLN 241 Ca 0.29 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.44 3h2l h GLN 241 Cb 0.31 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.73 3h2l h GLN 241 CO -0.26 0.00 -0.25 0.00 -0.95 0.00 0.00 178.83 177.37 3h2l s ASP 244 N -2.00 6.27 0.11 0.00 -1.08 0.24 -4.99 116.67 115.22 3h2l s ASP 244 Ca 0.75 0.55 0.06 0.00 -0.52 0.00 0.00 52.55 53.39 3h2l s ASP 244 Cb -0.30 -2.54 -0.03 0.00 -1.46 0.00 0.00 42.92 38.58 3h2l s ASP 244 CO 0.48 -1.54 -0.15 -0.76 0.52 0.00 0.00 175.17 173.71 3h2l s LEU 245 N 5.63 2.35 0.42 -1.34 1.43 -1.26 -1.66 118.68 124.25 3h2l s LEU 245 Ca 0.56 -0.74 -0.26 0.00 -1.03 0.00 0.00 54.13 52.67 3h2l s LEU 245 Cb -0.12 -0.61 -0.08 0.00 0.03 0.00 0.00 46.19 45.41 3h2l s LEU 245 CO 0.29 -0.09 1.34 0.00 0.23 0.00 0.00 176.35 178.12 3h2l s ALA 246 N -1.73 3.23 0.42 4.21 0.00 -1.26 -4.85 121.76 121.78 3h2l s ALA 246 Ca 0.06 1.30 0.14 0.00 0.00 0.00 0.00 51.96 53.45 3h2l s ALA 246 Cb -0.07 -3.52 1.00 0.00 0.00 0.00 0.00 23.12 20.53 3h2l s ALA 246 CO 0.03 -0.95 1.95 -1.35 0.00 0.00 0.00 175.76 175.44 3h2l h PRO 247 N 2.52 0.45 -0.56 0.00 0.11 -2.00 0.72 132.00 133.23 3h2l h PRO 247 Ca -0.50 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.61 3h2l h PRO 247 Cb 1.25 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.23 3h2l h PRO 247 CO 0.62 0.30 0.34 0.93 -0.21 0.00 0.00 178.00 179.97 3h2l h GLU 248 N 0.46 0.64 -0.30 1.05 5.08 -2.00 -2.00 114.58 117.52 3h2l h GLU 248 Ca 0.33 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.69 3h2l h GLU 248 Cb 0.66 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 3h2l h GLU 248 CO -0.10 0.43 0.05 0.00 -1.00 0.00 0.00 179.01 178.38 3h2l h ALA 249 N 1.25 0.31 -0.44 3.43 0.00 -1.24 -1.71 119.26 120.85 3h2l h ALA 249 Ca 0.23 0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.28 3h2l h ALA 249 Cb 0.03 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 3h2l h ALA 249 CO -0.10 -0.36 0.06 0.00 0.00 0.00 0.00 179.25 178.84 3h2l h ARG 250 N 0.15 0.17 -0.33 0.00 3.08 -1.04 -0.77 114.38 115.64 3h2l h ARG 250 Ca 0.14 -0.01 -0.14 0.00 0.07 0.00 0.00 59.98 60.04 3h2l h ARG 250 Cb 0.16 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3h2l h ARG 250 CO -0.20 0.11 -0.37 0.37 -1.07 0.00 0.00 179.97 178.82 3h2l h GLN 251 N 0.18 0.76 -0.28 0.04 5.75 -1.24 -2.11 115.11 118.21 3h2l h GLN 251 Ca 0.22 -0.38 -0.09 0.00 -0.15 0.00 0.00 58.65 58.24 3h2l h GLN 251 Cb 0.29 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.83 3h2l h GLN 251 CO -0.31 1.00 -0.21 0.00 -2.65 0.00 0.00 178.83 176.66 3h2l h ALA 252 N 0.95 1.11 -0.18 3.38 0.00 -0.96 -1.40 119.26 122.16 3h2l h ALA 252 Ca 0.06 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.51 3h2l h ALA 252 Cb 0.91 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3h2l h ALA 252 CO 0.08 0.55 -0.40 0.82 0.00 0.00 0.00 179.25 180.31 3h2l h ILE 253 N 0.46 1.34 -0.31 0.00 2.04 -1.01 0.24 117.51 120.26 3h2l h ILE 253 Ca 0.07 -1.64 0.00 0.00 1.00 0.00 0.00 64.86 64.29 3h2l h ILE 253 Cb 0.63 1.92 -0.02 0.00 -0.74 0.00 0.00 36.82 38.62 3h2l h ILE 253 CO 0.04 0.50 0.20 0.50 0.00 0.00 0.00 178.15 179.40 3h2l h LYS 254 N 0.25 0.41 -0.43 2.37 3.64 -1.31 -0.37 116.57 121.13 3h2l h LYS 254 Ca 0.00 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 3h2l h LYS 254 Cb 1.00 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.71 3h2l h LYS 254 CO 0.09 0.28 0.20 0.77 -2.27 0.00 0.00 179.45 178.52 3h2l h SER 255 N 0.42 0.57 -0.39 4.20 0.02 -1.19 0.13 113.55 117.31 3h2l h SER 255 Ca 0.11 -0.13 -0.07 0.00 -0.84 0.00 0.00 61.79 60.86 3h2l h SER 255 Cb -0.04 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 3h2l h SER 255 CO -0.02 0.55 -0.00 -0.07 -1.14 0.00 0.00 176.83 176.14 3h2l h LEU 256 N 0.56 0.74 0.18 5.07 3.38 -0.85 0.89 115.31 125.28 3h2l h LEU 256 Ca 0.15 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3h2l h LEU 256 Cb 0.13 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3h2l h LEU 256 CO -0.02 0.81 -0.09 0.74 0.09 0.00 0.00 178.44 179.97 3h2l h THR 257 N 0.72 0.91 -0.60 0.22 2.02 -0.63 0.56 112.91 116.11 3h2l h THR 257 Ca 0.14 -0.43 -0.09 0.00 0.77 0.00 0.00 66.41 66.80 3h2l h THR 257 Cb 0.44 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 68.00 3h2l h THR 257 CO 0.02 0.10 0.02 -0.33 0.37 0.00 0.00 175.52 175.70 3h2l h GLU 258 N -0.45 1.03 0.00 6.66 4.39 -0.58 -2.16 114.58 123.47 3h2l h GLU 258 Ca -0.02 -0.31 -0.22 0.00 0.34 0.00 0.00 59.36 59.15 3h2l h GLU 258 Cb 0.35 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.85 3h2l h GLU 258 CO 0.04 1.00 -1.88 0.54 -1.16 0.00 0.00 179.01 177.55 3h2l n ARG 259 N -4.19 0.65 0.03 2.33 1.74 0.29 -4.69 116.66 112.82 3h2l n ARG 259 Ca 0.03 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 3h2l n ARG 259 Cb 0.33 -1.66 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 3h2l n ARG 259 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3h2l n LEU 260 N -2.75 0.46 -0.13 0.55 7.94 -0.09 -0.53 117.00 122.45 3h2l n LEU 260 Ca -0.17 0.09 -0.12 0.00 -1.11 0.00 0.00 56.01 54.69 3h2l n LEU 260 Cb 0.92 -0.12 -0.02 0.00 0.53 0.00 0.00 43.42 44.74 3h2l n LEU 260 CO 0.44 -0.40 0.63 1.88 -1.11 0.00 0.00 177.39 178.82 3h2l h TYR 261 N 0.00 1.05 0.00 1.96 0.05 -0.91 -2.99 116.97 116.13 3h2l h TYR 261 Ca 0.00 -0.28 -0.05 0.00 0.05 0.00 0.00 58.73 58.45 3h2l h TYR 261 Cb 0.45 -0.24 -0.01 0.00 1.01 0.00 0.00 36.73 37.95 3h2l h TYR 261 CO 0.00 1.08 -0.24 0.82 -1.05 0.00 0.00 178.16 178.76 3h2l h ILE 262 N 0.72 0.94 0.00 -2.88 2.04 -1.65 -3.42 117.51 113.27 3h2l h ILE 262 Ca 0.08 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 65.04 3h2l h ILE 262 Cb 0.83 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.43 3h2l h ILE 262 CO 0.07 0.24 0.00 0.61 0.00 0.00 0.00 178.15 179.07 3h2l n GLY 263 N -0.57 -0.36 0.00 5.37 0.00 -1.13 -3.98 105.19 104.52 3h2l n GLY 263 Ca -0.02 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.59 3h2l n GLY 263 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h2l n GLY 264 N -1.17 1.38 3.77 -0.02 0.00 -0.93 -4.16 105.19 104.05 3h2l n GLY 264 Ca 0.00 -1.06 -0.38 0.00 0.00 0.00 0.00 46.02 44.58 3h2l n GLY 264 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h2l s PRO 265 N -2.00 3.81 -0.22 1.61 0.04 -1.26 -1.35 135.00 135.63 3h2l s PRO 265 Ca 0.00 1.92 -0.06 0.00 0.04 0.00 0.00 61.00 62.90 3h2l s PRO 265 Cb 0.00 -2.54 -0.03 0.00 0.04 0.00 0.00 34.50 31.98 3h2l s PRO 265 CO 0.00 -0.55 0.04 -0.51 0.04 0.00 0.00 177.00 176.02 3h2l s LEU 266 N -2.81 3.38 -0.07 -3.56 1.43 0.02 -2.79 118.68 114.27 3h2l s LEU 266 Ca 0.61 -0.19 0.05 0.00 -1.03 0.00 0.00 54.13 53.57 3h2l s LEU 266 Cb -0.32 -1.88 -0.01 0.00 0.03 0.00 0.00 46.19 44.00 3h2l s LEU 266 CO 0.40 0.02 -0.22 -0.89 0.23 0.00 0.00 176.35 175.90 3h2l s THR 267 N 1.27 2.36 0.80 5.49 2.01 -0.45 0.37 115.64 127.49 3h2l s THR 267 Ca 0.04 -0.95 -0.08 0.00 0.31 0.00 0.00 61.69 61.01 3h2l s THR 267 Cb -0.15 -1.89 0.13 0.00 0.01 0.00 0.00 72.50 70.60 3h2l s THR 267 CO 0.02 0.57 1.12 0.54 -0.69 0.00 0.00 174.62 176.18 3h2l s ASN 268 N -0.16 4.08 0.64 3.53 2.20 0.25 -1.41 114.94 124.07 3h2l s ASN 268 Ca -0.03 0.15 0.40 0.00 -0.94 0.00 0.00 52.86 52.45 3h2l s ASN 268 Cb -0.14 -0.51 2.22 0.00 -2.00 0.00 0.00 41.25 40.82 3h2l s ASN 268 CO 0.04 -2.08 2.32 0.77 -2.94 0.00 0.00 177.10 175.21 3h2l h SER 269 N -0.95 0.00 -0.52 3.54 4.64 -1.78 0.71 113.55 119.19 3h2l h SER 269 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 3h2l h SER 269 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3h2l h SER 269 CO 0.47 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.72 3h2l n LYS 270 N -3.27 3.17 -1.29 4.77 5.02 -1.26 -4.93 118.16 120.38 3h2l n LYS 270 Ca -0.03 -2.27 -0.10 0.00 -2.02 0.00 0.00 58.31 53.89 3h2l n LYS 270 Cb 0.09 -1.77 -0.04 0.00 -0.02 0.00 0.00 35.03 33.29 3h2l n LYS 270 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h2l n GLY 271 N 0.97 1.11 3.88 0.72 0.00 0.24 -5.01 105.19 107.10 3h2l n GLY 271 Ca 0.21 -0.37 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 3h2l n GLY 271 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h2l s GLN 272 N -2.67 3.71 -0.30 1.61 -0.21 -1.26 -4.81 119.66 115.73 3h2l s GLN 272 Ca 0.00 0.08 -0.29 0.00 0.02 0.00 0.00 55.36 55.17 3h2l s GLN 272 Cb 0.00 -2.87 0.00 0.00 1.00 0.00 0.00 33.01 31.15 3h2l s GLN 272 CO 0.00 0.47 1.26 1.21 -2.12 0.00 0.00 175.29 176.12 3h2l s ASN 273 N -2.16 6.73 0.13 5.90 3.04 -1.26 -0.58 114.94 126.74 3h2l s ASN 273 Ca 0.39 1.20 0.20 0.00 0.04 0.00 0.00 52.86 54.69 3h2l s ASN 273 Cb -0.13 -2.54 -0.07 0.00 -1.54 0.00 0.00 41.25 36.97 3h2l s ASN 273 CO 0.21 -1.03 0.92 0.00 -3.04 0.00 0.00 177.10 174.16 3h2l n GLY 275 N 1.27 0.15 2.94 0.00 0.00 -1.15 -1.14 105.19 107.27 3h2l n GLY 275 Ca -0.04 -1.10 -0.13 0.00 0.00 0.00 0.00 46.02 44.75 3h2l n GLY 275 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3h2l s TYR 276 N -4.00 -0.10 -0.14 1.61 5.04 0.97 -0.80 117.35 119.92 3h2l s TYR 276 Ca 0.00 0.28 -0.05 0.00 -2.44 0.00 0.00 57.07 54.86 3h2l s TYR 276 Cb 0.00 -0.01 -0.04 0.00 0.35 0.00 0.00 41.96 42.26 3h2l s TYR 276 CO 0.00 -0.07 0.06 0.50 -1.34 0.00 0.00 175.55 174.69 3h2l s ARG 277 N 0.35 3.52 -0.15 4.97 3.52 -0.45 -0.20 118.95 130.51 3h2l s ARG 277 Ca -0.03 -0.32 0.15 0.00 -0.13 0.00 0.00 55.73 55.40 3h2l s ARG 277 Cb -0.04 -3.06 0.39 0.00 -1.56 0.00 0.00 34.95 30.68 3h2l s ARG 277 CO -0.01 0.53 1.19 0.54 -0.81 0.00 0.00 175.30 176.74 3h2l n ARG 278 N 2.73 1.14 -2.60 5.12 1.74 0.18 -2.20 116.66 122.77 3h2l n ARG 278 Ca -0.18 -2.85 -0.05 0.00 -0.77 0.00 0.00 57.85 53.99 3h2l n ARG 278 Cb 0.53 -1.20 -0.02 0.00 -1.02 0.00 0.00 32.46 30.75 3h2l n ARG 278 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3h2l n ARG 280 N -0.18 2.44 -2.69 0.00 3.00 -0.98 -4.54 116.66 113.71 3h2l n ARG 280 Ca 0.02 0.88 -0.41 0.00 -0.00 0.00 0.00 57.85 58.34 3h2l n ARG 280 Cb 0.16 -2.71 -0.05 0.00 0.00 0.00 0.00 32.46 29.87 3h2l n ARG 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3h2l s ALA 281 N 1.65 3.30 0.02 5.13 0.00 -1.26 -4.77 121.76 125.82 3h2l s ALA 281 Ca 0.80 0.64 0.19 0.00 0.00 0.00 0.00 51.96 53.59 3h2l s ALA 281 Cb -0.60 -3.27 0.51 0.00 0.00 0.00 0.00 23.12 19.76 3h2l s ALA 281 CO 0.38 0.00 1.65 0.66 0.00 0.00 0.00 175.76 178.45 3h2l h SER 282 N 5.03 0.00 -1.54 0.00 4.64 -1.89 -3.37 113.55 116.43 3h2l h SER 282 Ca -0.44 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.22 3h2l h SER 282 Cb 1.21 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.94 3h2l h SER 282 CO 0.71 0.37 0.05 0.61 -0.87 0.00 0.00 176.83 177.70 3h2l n GLY 283 N 0.61 5.88 3.40 -0.77 0.00 0.66 -4.12 105.19 110.84 3h2l n GLY 283 Ca 0.01 -2.61 -0.21 0.00 0.00 0.00 0.00 46.02 43.21 3h2l n GLY 283 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3h2l s VAL 284 N -5.19 1.94 0.29 1.61 -7.23 -1.20 -4.28 120.40 106.34 3h2l s VAL 284 Ca 0.52 -2.25 -0.01 0.00 -1.81 0.00 0.00 61.98 58.42 3h2l s VAL 284 Cb 0.43 -2.20 0.27 0.00 0.56 0.00 0.00 36.38 35.44 3h2l s VAL 284 CO -0.22 -0.48 1.93 0.25 -0.31 0.00 0.00 175.10 176.26 3h2l h LEU 285 N 2.42 0.96 -0.46 1.32 5.85 -1.79 -2.65 115.31 120.96 3h2l h LEU 285 Ca -0.39 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.32 3h2l h LEU 285 Cb 1.23 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.05 3h2l h LEU 285 CO 0.63 0.65 0.00 0.35 -0.34 0.00 0.00 178.44 179.73 3h2l n THR 286 N -4.45 0.07 0.03 1.05 -2.24 -1.26 -4.34 114.28 103.14 3h2l n THR 286 Ca 0.12 -0.14 -0.10 0.00 -2.27 0.00 0.00 64.05 61.66 3h2l n THR 286 Cb 0.13 -0.02 -0.04 0.00 -2.10 0.00 0.00 70.33 68.30 3h2l n THR 286 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3h2l h THR 287 N 0.97 0.67 0.30 4.28 2.02 -1.73 0.29 112.91 119.71 3h2l h THR 287 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3h2l h THR 287 Cb 0.21 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 3h2l h THR 287 CO 0.00 0.00 -0.14 -1.28 0.37 0.00 0.00 175.52 174.47 3h2l h SER 288 N -0.20 -0.34 -0.95 4.18 0.87 -1.76 -1.11 113.55 114.25 3h2l h SER 288 Ca 0.06 -0.19 0.03 0.00 -1.23 0.00 0.00 61.79 60.46 3h2l h SER 288 Cb 0.28 0.09 -0.05 0.00 -0.44 0.00 0.00 62.40 62.27 3h2l h SER 288 CO -0.16 0.05 0.63 0.00 -0.53 0.00 0.00 176.83 176.82 3h2l h GLY 290 N 1.24 0.75 1.03 0.00 0.00 -0.42 -1.68 103.07 103.98 3h2l h GLY 290 Ca 0.37 -0.91 -0.05 0.00 0.00 0.00 0.00 47.33 46.73 3h2l h GLY 290 CO -0.10 0.82 0.22 3.43 0.00 0.00 0.00 176.54 180.90 3h2l h ASN 291 N 0.38 0.99 -0.15 0.19 2.35 -1.05 -1.78 115.58 116.51 3h2l h ASN 291 Ca -0.00 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.54 3h2l h ASN 291 Cb 1.08 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 39.18 3h2l h ASN 291 CO 0.10 0.93 0.07 0.74 -1.65 0.00 0.00 177.43 177.62 3h2l h THR 292 N 0.99 1.14 -0.62 2.81 2.02 -1.02 0.52 112.91 118.76 3h2l h THR 292 Ca 0.22 -0.42 -0.03 0.00 0.77 0.00 0.00 66.41 66.95 3h2l h THR 292 Cb 0.30 1.14 -0.03 0.00 -1.74 0.00 0.00 68.15 67.82 3h2l h THR 292 CO -0.01 0.13 0.27 -0.07 0.37 0.00 0.00 175.52 176.21 3h2l h LEU 293 N 0.10 0.84 -0.15 2.58 3.38 -1.27 0.55 115.31 121.35 3h2l h LEU 293 Ca 0.05 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 3h2l h LEU 293 Cb 0.15 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.68 3h2l h LEU 293 CO -0.01 0.77 -0.31 0.74 0.09 0.00 0.00 178.44 179.72 3h2l h THR 294 N 0.86 1.36 -0.27 0.22 2.02 -1.23 -0.47 112.91 115.40 3h2l h THR 294 Ca 0.21 -1.58 0.03 0.00 0.77 0.00 0.00 66.41 65.84 3h2l h THR 294 Cb 0.17 2.00 -0.03 0.00 -1.74 0.00 0.00 68.15 68.56 3h2l h THR 294 CO -0.02 0.47 0.10 0.00 0.37 0.00 0.00 175.52 176.44 3h2l h TYR 296 N 0.23 1.08 0.15 0.00 3.20 -0.81 0.04 116.97 120.85 3h2l h TYR 296 Ca 0.12 -0.10 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 3h2l h TYR 296 Cb 0.08 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.03 3h2l h TYR 296 CO -0.12 0.86 -0.07 1.25 -1.64 0.00 0.00 178.16 178.44 3h2l h LEU 297 N 1.01 -0.17 0.17 2.82 5.85 -0.99 -0.53 115.31 123.48 3h2l h LEU 297 Ca 0.22 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 3h2l h LEU 297 Cb 0.29 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.36 3h2l h LEU 297 CO -0.01 0.19 -0.08 0.11 -0.34 0.00 0.00 178.44 178.31 3h2l h LYS 298 N -0.54 -0.22 -0.74 1.25 1.57 -1.16 -1.81 116.57 114.92 3h2l h LYS 298 Ca -0.02 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3h2l h LYS 298 Cb 0.42 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.74 3h2l h LYS 298 CO 0.03 -0.15 0.48 0.00 -0.57 0.00 0.00 179.45 179.25 3h2l h ALA 299 N 0.60 0.95 -0.14 3.86 0.00 -1.07 -0.95 119.26 122.52 3h2l h ALA 299 Ca -0.02 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.86 3h2l h ALA 299 Cb 0.18 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3h2l h ALA 299 CO 0.04 0.31 0.04 0.77 0.00 0.00 0.00 179.25 180.41 3h2l h SER 300 N 0.96 0.04 0.07 0.00 0.02 -0.96 0.84 113.55 114.52 3h2l h SER 300 Ca 0.28 0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 61.17 3h2l h SER 300 Cb -0.05 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 3h2l h SER 300 CO -0.08 0.05 -0.26 0.00 -1.14 0.00 0.00 176.83 175.39 3h2l h ALA 301 N 1.09 1.23 -0.01 3.77 0.00 -1.22 -2.63 119.26 121.50 3h2l h ALA 301 Ca 0.06 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.51 3h2l h ALA 301 Cb 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3h2l h ALA 301 CO -0.07 0.51 -0.66 0.00 0.00 0.00 0.00 179.25 179.03 3h2l h ALA 302 N 1.44 0.89 -0.78 0.00 0.00 -0.85 -1.02 119.26 118.95 3h2l h ALA 302 Ca 0.04 -0.59 -0.05 0.00 0.00 0.00 0.00 54.91 54.31 3h2l h ALA 302 Cb 0.62 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 3h2l h ALA 302 CO 0.04 0.81 0.27 0.00 0.00 0.00 0.00 179.25 180.38 3h2l h ARG 304 N 1.14 0.58 -0.83 0.00 3.08 -1.21 -1.88 114.38 115.26 3h2l h ARG 304 Ca 0.25 -0.21 0.04 0.00 0.07 0.00 0.00 59.98 60.14 3h2l h ARG 304 Cb 0.27 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.23 3h2l h ARG 304 CO -0.01 0.74 0.53 0.00 -1.07 0.00 0.00 179.97 180.16 3h2l h ALA 305 N 0.81 1.10 0.00 0.04 0.00 -1.07 -2.11 119.26 118.03 3h2l h ALA 305 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3h2l h ALA 305 Cb 0.51 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3h2l h ALA 305 CO 0.02 0.34 0.00 0.00 0.00 0.00 0.00 179.25 179.62 3h2l n ALA 306 N -2.34 2.20 -3.19 0.00 0.00 -0.48 -4.92 120.51 111.78 3h2l n ALA 306 Ca 0.10 -0.04 -0.23 0.00 0.00 0.00 0.00 53.44 53.27 3h2l n ALA 306 Cb 0.10 -1.45 0.04 0.00 0.00 0.00 0.00 19.45 18.15 3h2l n ALA 306 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3h2l n LYS 307 N -1.98 -5.58 -2.10 0.00 5.02 -0.75 -4.82 118.16 107.96 3h2l n LYS 307 Ca 0.06 0.87 -0.41 0.00 -2.02 0.00 0.00 58.31 56.80 3h2l n LYS 307 Cb 0.37 -5.77 -0.02 0.00 -0.02 0.00 0.00 35.03 29.58 3h2l n LYS 307 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3h2l s LEU 308 N -6.85 4.42 -0.15 -0.35 1.43 -0.97 -5.00 118.68 111.21 3h2l s LEU 308 Ca 0.38 2.68 -0.08 0.00 -1.03 0.00 0.00 54.13 56.09 3h2l s LEU 308 Cb -0.17 -3.64 -0.04 0.00 0.03 0.00 0.00 46.19 42.36 3h2l s LEU 308 CO 0.48 -0.57 0.13 -1.10 0.23 0.00 0.00 176.35 175.52 3h2l s GLN 309 N -1.53 3.68 -1.23 1.70 -1.52 -1.26 -4.45 119.66 115.04 3h2l s GLN 309 Ca 0.51 -0.17 -0.11 0.00 -1.95 0.00 0.00 55.36 53.63 3h2l s GLN 309 Cb -0.40 -3.25 -0.01 0.00 -0.22 0.00 0.00 33.01 29.13 3h2l s GLN 309 CO 0.51 0.61 0.68 -3.47 -0.25 0.00 0.00 175.29 173.38 3h2l n ASP 310 N 2.52 -3.32 -4.75 5.90 2.03 -1.26 -0.76 116.55 116.90 3h2l n ASP 310 Ca -0.19 -0.97 -0.41 0.00 0.52 0.00 0.00 54.79 53.75 3h2l n ASP 310 Cb 0.54 -3.49 -0.02 0.00 -0.72 0.00 0.00 41.12 37.43 3h2l n ASP 310 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h2l s THR 312 N -0.46 0.46 0.10 0.00 2.01 0.12 -5.00 115.64 112.86 3h2l s THR 312 Ca 0.55 -0.02 0.07 0.00 0.31 0.00 0.00 61.69 62.59 3h2l s THR 312 Cb -0.41 -0.54 -0.04 0.00 0.01 0.00 0.00 72.50 71.52 3h2l s THR 312 CO 0.47 0.23 -0.10 -0.04 -0.69 0.00 0.00 174.62 174.50 3h2l s MET 313 N 1.31 2.17 -0.13 4.92 -1.94 -1.26 -0.46 119.30 123.90 3h2l s MET 313 Ca -0.05 -1.00 -0.01 0.00 -1.71 0.00 0.00 55.69 52.92 3h2l s MET 313 Cb -0.13 -2.32 0.04 0.00 2.01 0.00 0.00 34.83 34.42 3h2l s MET 313 CO -0.02 0.52 -0.03 -1.17 -0.01 0.00 0.00 175.02 174.30 3h2l s LEU 314 N -2.14 1.18 -0.10 -0.03 2.96 -0.10 -4.32 118.68 116.13 3h2l s LEU 314 Ca 0.21 -0.46 0.02 0.00 -0.22 0.00 0.00 54.13 53.68 3h2l s LEU 314 Cb -0.11 -0.72 0.02 0.00 0.50 0.00 0.00 46.19 45.87 3h2l s LEU 314 CO 0.13 -0.19 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.14 3h2l s VAL 315 N 1.77 1.38 -0.35 1.68 1.01 -0.46 -1.64 120.40 123.79 3h2l s VAL 315 Ca 0.03 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.45 3h2l s VAL 315 Cb -0.14 -1.27 0.11 0.00 0.00 0.00 0.00 36.38 35.07 3h2l s VAL 315 CO -0.07 0.42 0.11 0.20 0.00 0.00 0.00 175.10 175.75 3h2l s ASN 316 N 1.01 4.33 1.58 3.32 -0.87 0.05 -1.34 114.94 123.03 3h2l s ASN 316 Ca -0.07 -2.08 0.00 0.00 -1.57 0.00 0.00 52.86 49.15 3h2l s ASN 316 Cb -0.15 -1.27 0.00 0.00 -0.02 0.00 0.00 41.25 39.81 3h2l s ASN 316 CO -0.01 -0.37 0.00 0.61 -2.57 0.00 0.00 177.10 174.76 3h2l n GLY 317 N 4.32 3.76 0.04 0.66 0.00 -1.26 -0.62 105.19 112.08 3h2l n GLY 317 Ca 0.02 0.10 0.15 0.00 0.00 0.00 0.00 46.02 46.30 3h2l n GLY 317 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3h2l n ASP 318 N 6.42 0.12 -4.64 1.61 5.68 -1.26 -3.67 116.55 120.80 3h2l n ASP 318 Ca 0.00 -1.08 -0.39 0.00 -0.50 0.00 0.00 54.79 52.82 3h2l n ASP 318 Cb 0.00 -0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 39.90 3h2l n ASP 318 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3h2l s ASP 319 N -1.96 6.42 -0.05 -1.12 -1.08 0.21 -4.69 116.67 114.41 3h2l s ASP 319 Ca 0.45 0.50 0.02 0.00 -0.52 0.00 0.00 52.55 53.00 3h2l s ASP 319 Cb 0.21 -2.25 0.02 0.00 -1.46 0.00 0.00 42.92 39.43 3h2l s ASP 319 CO 0.35 -0.18 -0.08 -0.22 0.52 0.00 0.00 175.17 175.57 3h2l s LEU 320 N 1.81 1.50 -0.01 -1.34 2.96 -1.26 -0.77 118.68 121.58 3h2l s LEU 320 Ca 0.20 -0.19 0.03 0.00 -0.22 0.00 0.00 54.13 53.95 3h2l s LEU 320 Cb -0.15 -0.59 -0.01 0.00 0.50 0.00 0.00 46.19 45.94 3h2l s LEU 320 CO 0.09 -0.01 -0.10 0.54 -1.32 0.00 0.00 176.35 175.55 3h2l s VAL 321 N 0.73 0.83 -0.09 1.68 0.11 -0.65 -1.20 120.40 121.81 3h2l s VAL 321 Ca -0.12 -0.45 0.03 0.00 -2.93 0.00 0.00 61.98 58.52 3h2l s VAL 321 Cb -0.14 -0.70 0.01 0.00 -1.53 0.00 0.00 36.38 34.02 3h2l s VAL 321 CO 0.02 0.24 -0.19 -0.69 -3.33 0.00 0.00 175.10 171.14 3h2l s VAL 322 N -0.22 1.72 -0.11 2.04 1.01 -0.13 -0.92 120.40 123.79 3h2l s VAL 322 Ca 0.04 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.22 3h2l s VAL 322 Cb -0.04 -1.52 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 3h2l s VAL 322 CO -0.00 0.49 -0.18 -0.63 0.00 0.00 0.00 175.10 174.77 3h2l s ILE 323 N 0.52 2.64 0.34 2.22 1.01 0.39 -1.13 121.20 127.20 3h2l s ILE 323 Ca -0.16 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 59.69 3h2l s ILE 323 Cb -0.17 -2.06 -0.01 0.00 0.01 0.00 0.00 42.46 40.23 3h2l s ILE 323 CO 0.06 0.55 0.39 0.00 0.00 0.00 0.00 174.94 175.94 3h2l s GLU 325 N -3.21 4.41 0.37 0.00 0.41 0.06 -0.85 118.70 119.90 3h2l s GLU 325 Ca 0.35 1.39 -0.26 0.00 -0.41 0.00 0.00 54.97 56.05 3h2l s GLU 325 Cb 0.01 -3.55 -0.09 0.00 -1.78 0.00 0.00 34.13 28.72 3h2l s GLU 325 CO 0.23 -0.34 1.10 0.45 -0.49 0.00 0.00 175.26 176.22 3h2l s SER 326 N 1.11 6.79 -0.20 -0.19 0.15 0.72 -4.42 113.70 117.65 3h2l s SER 326 Ca 0.48 2.20 0.15 0.00 0.70 0.00 0.00 55.95 59.48 3h2l s SER 326 Cb -0.18 -2.60 0.50 0.00 -1.71 0.00 0.00 66.02 62.03 3h2l s SER 326 CO 0.17 -0.48 1.41 0.00 1.20 0.00 0.00 173.24 175.54 3h2l n ALA 327 N 0.26 3.26 0.00 5.45 0.00 -1.26 -4.87 120.51 123.35 3h2l n ALA 327 Ca 0.03 -2.56 0.00 0.00 0.00 0.00 0.00 53.44 50.92 3h2l n ALA 327 Cb 0.47 -0.69 0.00 0.00 0.00 0.00 0.00 19.45 19.23 3h2l n ALA 327 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h2l n GLY 328 N -0.77 1.78 0.26 0.00 0.00 -1.26 -4.44 105.19 100.75 3h2l n GLY 328 Ca 0.24 -1.73 -0.06 0.00 0.00 0.00 0.00 46.02 44.47 3h2l n GLY 328 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3h2l h THR 329 N 0.00 0.40 -0.18 2.61 2.02 -1.99 -0.20 112.91 115.57 3h2l h THR 329 Ca 0.00 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 66.99 3h2l h THR 329 Cb 0.00 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 66.81 3h2l h THR 329 CO 0.00 0.00 -0.64 -0.61 0.37 0.00 0.00 175.52 174.64 3h2l h GLN 330 N -0.16 0.66 -0.49 6.66 4.15 -2.00 -2.26 115.11 121.68 3h2l h GLN 330 Ca 0.18 -0.47 -0.05 0.00 0.77 0.00 0.00 58.65 59.08 3h2l h GLN 330 Cb 0.44 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.18 3h2l h GLN 330 CO -0.46 1.09 0.12 0.93 -1.93 0.00 0.00 178.83 178.58 3h2l h GLU 331 N 0.49 0.78 -0.83 1.69 5.08 -1.72 -1.88 114.58 118.19 3h2l h GLU 331 Ca -0.01 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.15 3h2l h GLU 331 Cb 1.23 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.33 3h2l h GLU 331 CO 0.13 0.76 0.48 -0.44 -1.00 0.00 0.00 179.01 178.93 3h2l h ASP 332 N 0.66 1.00 -0.25 1.42 3.32 -0.98 0.16 116.42 121.76 3h2l h ASP 332 Ca 0.15 -0.07 -0.11 0.00 0.02 0.00 0.00 57.03 57.03 3h2l h ASP 332 Cb 0.33 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3h2l h ASP 332 CO 0.00 0.78 -0.21 0.00 -1.72 0.00 0.00 179.24 178.10 3h2l h ALA 333 N 1.39 0.95 -0.11 3.45 0.00 -1.20 -1.38 119.26 122.35 3h2l h ALA 333 Ca 0.30 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3h2l h ALA 333 Cb -0.02 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 3h2l h ALA 333 CO -0.05 0.61 -0.06 0.00 0.00 0.00 0.00 179.25 179.75 3h2l h ALA 334 N 1.15 0.16 -0.76 0.00 0.00 -0.78 -2.85 119.26 116.17 3h2l h ALA 334 Ca 0.09 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.80 3h2l h ALA 334 Cb 0.69 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.39 3h2l h ALA 334 CO 0.05 -0.06 0.46 0.77 0.00 0.00 0.00 179.25 180.47 3h2l h SER 335 N -0.12 0.71 -0.75 0.00 0.02 -0.59 -1.68 113.55 111.15 3h2l h SER 335 Ca 0.02 0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 60.98 3h2l h SER 335 Cb 0.51 -0.13 -0.04 0.00 0.14 0.00 0.00 62.40 62.89 3h2l h SER 335 CO 0.02 0.46 0.42 -0.07 -1.14 0.00 0.00 176.83 176.52 3h2l h LEU 336 N 0.85 0.93 -0.71 5.07 3.38 -1.28 0.82 115.31 124.38 3h2l h LEU 336 Ca 0.33 -0.09 -0.05 0.00 0.09 0.00 0.00 57.88 58.16 3h2l h LEU 336 Cb 0.15 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3h2l h LEU 336 CO -0.17 0.75 0.25 0.03 0.09 0.00 0.00 178.44 179.40 3h2l h ARG 337 N 1.03 1.08 -0.30 1.13 3.08 -1.15 0.91 114.38 120.16 3h2l h ARG 337 Ca 0.26 -0.22 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 3h2l h ARG 337 Cb 0.02 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 3h2l h ARG 337 CO -0.04 0.91 0.14 0.28 -1.07 0.00 0.00 179.97 180.19 3h2l h VAL 338 N 1.03 1.15 -0.81 2.04 2.07 -0.96 0.15 116.25 120.92 3h2l h VAL 338 Ca 0.23 -0.44 0.06 0.00 0.82 0.00 0.00 66.70 67.37 3h2l h VAL 338 Cb 0.26 0.90 -0.06 0.00 -1.52 0.00 0.00 31.29 30.87 3h2l h VAL 338 CO -0.01 0.16 0.49 0.15 0.02 0.00 0.00 177.57 178.37 3h2l h PHE 339 N 0.34 0.89 -0.17 1.57 3.57 -0.25 -0.52 116.94 122.37 3h2l h PHE 339 Ca 0.10 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.51 3h2l h PHE 339 Cb 0.12 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 3h2l h PHE 339 CO -0.02 0.44 -0.41 1.15 -2.23 0.00 0.00 178.31 177.24 3h2l h THR 340 N 0.88 1.31 -0.43 4.41 2.02 -0.62 -1.29 112.91 119.19 3h2l h THR 340 Ca 0.36 -1.55 -0.08 0.00 0.77 0.00 0.00 66.41 65.90 3h2l h THR 340 Cb 0.20 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 3h2l h THR 340 CO -0.18 0.48 -0.05 -0.33 0.37 0.00 0.00 175.52 175.80 3h2l h GLU 341 N 0.33 0.79 -0.37 6.66 5.08 0.33 -1.59 114.58 125.81 3h2l h GLU 341 Ca 0.03 -0.28 -0.10 0.00 -1.00 0.00 0.00 59.36 58.01 3h2l h GLU 341 Cb 0.86 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 3h2l h GLU 341 CO 0.07 0.89 -0.16 0.00 -1.00 0.00 0.00 179.01 178.81 3h2l h ALA 342 N 0.88 0.51 -1.00 3.43 0.00 -0.99 -1.97 119.26 120.12 3h2l h ALA 342 Ca 0.11 -0.35 0.05 0.00 0.00 0.00 0.00 54.91 54.73 3h2l h ALA 342 Cb 0.56 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 3h2l h ALA 342 CO 0.03 0.43 0.65 0.52 0.00 0.00 0.00 179.25 180.89 3h2l h MET 343 N 0.55 1.19 -0.44 0.00 2.86 -1.20 -1.72 114.93 116.16 3h2l h MET 343 Ca 0.08 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.58 3h2l h MET 343 Cb 0.70 -0.27 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 3h2l h MET 343 CO 0.05 0.79 0.00 1.15 1.06 0.00 0.00 176.91 179.96 3h2l h THR 344 N 1.22 1.26 -0.21 2.22 2.02 -1.08 -1.35 112.91 116.99 3h2l h THR 344 Ca 0.42 -1.03 0.02 0.00 0.77 0.00 0.00 66.41 66.59 3h2l h THR 344 Cb 0.08 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.55 3h2l h THR 344 CO -0.15 0.35 0.14 0.03 0.37 0.00 0.00 175.52 176.26 3h2l h ARG 345 N 0.61 0.18 -0.14 6.66 3.08 -0.96 -1.80 114.38 122.01 3h2l h ARG 345 Ca 0.12 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3h2l h ARG 345 Cb 0.49 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.50 3h2l h ARG 345 CO 0.02 0.12 0.00 0.66 -1.07 0.00 0.00 179.97 179.70 3h2l n TYR 346 N -4.50 0.18 -2.71 3.04 4.01 -0.68 -0.14 117.16 116.35 3h2l n TYR 346 Ca 0.01 -0.09 -0.08 0.00 -0.16 0.00 0.00 57.90 57.57 3h2l n TYR 346 Cb 0.15 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.21 3h2l n TYR 346 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3h2l n SER 347 N -0.10 -5.47 -2.71 7.72 3.41 -0.68 -4.89 113.62 110.90 3h2l n SER 347 Ca 0.08 -0.40 -0.08 0.00 -0.26 0.00 0.00 58.87 58.21 3h2l n SER 347 Cb 0.15 -3.88 0.10 0.00 -0.26 0.00 0.00 64.21 60.31 3h2l n SER 347 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h2l n ALA 348 N -2.47 -0.51 -1.61 7.33 0.00 -0.56 -4.62 120.51 118.08 3h2l n ALA 348 Ca -0.04 -1.25 -0.32 0.00 0.00 0.00 0.00 53.44 51.83 3h2l n ALA 348 Cb 0.57 -1.30 0.03 0.00 0.00 0.00 0.00 19.45 18.75 3h2l n ALA 348 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3h2l s PRO 349 N 0.21 3.12 0.59 0.00 0.04 -1.26 -4.07 135.00 133.63 3h2l s PRO 349 Ca 0.21 1.07 -0.10 0.00 0.04 0.00 0.00 61.00 62.22 3h2l s PRO 349 Cb 0.31 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.80 3h2l s PRO 349 CO -0.08 -0.96 0.98 -1.25 0.04 0.00 0.00 177.00 175.73 3h2l s PRO 350 N -4.58 3.60 0.00 0.56 0.04 -1.26 -1.65 135.00 131.71 3h2l s PRO 350 Ca 0.61 0.65 0.00 0.00 0.04 0.00 0.00 61.00 62.30 3h2l s PRO 350 Cb -0.15 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.25 3h2l s PRO 350 CO 0.46 -0.49 0.00 0.41 0.04 0.00 0.00 177.00 177.42 3h2l n GLY 351 N -2.61 1.64 3.69 0.56 0.00 0.84 -4.35 105.19 104.96 3h2l n GLY 351 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3h2l n GLY 351 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h2l s ASP 352 N -1.00 6.93 0.23 1.61 1.01 -1.26 -4.98 116.67 119.21 3h2l s ASP 352 Ca 0.00 2.03 -0.31 0.00 0.71 0.00 0.00 52.55 54.98 3h2l s ASP 352 Cb 0.00 -2.56 -0.11 0.00 1.01 0.00 0.00 42.92 41.26 3h2l s ASP 352 CO 0.00 -0.66 1.62 -2.16 0.21 0.00 0.00 175.17 174.19 3h2l s PRO 353 N 2.16 4.16 0.65 8.23 0.04 -1.26 -4.55 135.00 144.42 3h2l s PRO 353 Ca 0.61 2.51 -0.16 0.00 0.04 0.00 0.00 61.00 64.00 3h2l s PRO 353 Cb -0.30 -3.08 -0.01 0.00 0.04 0.00 0.00 34.50 31.16 3h2l s PRO 353 CO 0.26 -0.65 1.15 -1.25 0.04 0.00 0.00 177.00 176.54 3h2l s PRO 354 N 0.51 2.77 -0.02 0.56 0.04 -1.26 -5.05 135.00 132.55 3h2l s PRO 354 Ca 0.69 1.57 0.02 0.00 0.04 0.00 0.00 61.00 63.31 3h2l s PRO 354 Cb -0.47 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.14 3h2l s PRO 354 CO 0.38 -1.31 -0.06 -0.65 0.04 0.00 0.00 177.00 175.40 3h2l s GLN 355 N -3.81 0.66 0.31 4.56 -1.52 -1.26 -5.01 119.66 113.59 3h2l s GLN 355 Ca 0.71 -0.21 -0.29 0.00 -1.95 0.00 0.00 55.36 53.62 3h2l s GLN 355 Cb -0.24 -0.65 -0.10 0.00 -0.22 0.00 0.00 33.01 31.80 3h2l s GLN 355 CO 0.39 0.08 1.27 -1.25 -0.25 0.00 0.00 175.29 175.53 3h2l s PRO 356 N 0.17 4.41 0.09 2.91 0.04 -1.26 -4.67 135.00 136.70 3h2l s PRO 356 Ca -0.02 2.13 0.09 0.00 0.04 0.00 0.00 61.00 63.24 3h2l s PRO 356 Cb -0.07 -3.10 -0.03 0.00 0.04 0.00 0.00 34.50 31.34 3h2l s PRO 356 CO -0.00 -0.11 -0.24 -1.21 0.04 0.00 0.00 177.00 175.47 3h2l s GLU 357 N -1.62 1.39 0.00 4.56 0.41 0.80 -4.98 118.70 119.26 3h2l s GLU 357 Ca 0.49 -1.19 0.00 0.00 -0.41 0.00 0.00 54.97 53.86 3h2l s GLU 357 Cb -0.38 -1.70 0.00 0.00 -1.78 0.00 0.00 34.13 30.27 3h2l s GLU 357 CO 0.50 0.41 0.45 0.66 -0.49 0.00 0.00 175.26 176.79 3h2l n TYR 358 N 1.27 0.00 -4.08 1.61 4.01 -1.26 -1.53 117.16 117.18 3h2l n TYR 358 Ca -0.18 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.24 3h2l n TYR 358 Cb 0.53 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.41 3h2l n TYR 358 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3h2l s ASP 359 N -0.07 4.11 0.54 7.72 2.15 -1.26 -4.98 116.67 124.87 3h2l s ASP 359 Ca 0.00 -1.19 0.31 0.00 0.43 0.00 0.00 52.55 52.10 3h2l s ASP 359 Cb 0.00 -1.54 1.48 0.00 -0.30 0.00 0.00 42.92 42.56 3h2l s ASP 359 CO 0.00 -0.14 1.90 0.25 -0.17 0.00 0.00 175.17 177.01 3h2l h LEU 360 N 7.82 0.00 -0.39 -1.34 5.85 -1.96 -1.67 115.31 123.63 3h2l h LEU 360 Ca -0.26 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.46 3h2l h LEU 360 Cb 1.07 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.10 3h2l h LEU 360 CO 0.51 0.00 0.00 -0.62 -0.34 0.00 0.00 178.44 177.99 3h2l n GLU 361 N -4.25 0.17 -0.00 1.25 1.02 -1.26 -2.65 120.64 114.91 3h2l n GLU 361 Ca 0.17 0.32 0.12 0.00 -0.02 0.00 0.00 57.16 57.76 3h2l n GLU 361 Cb 0.92 -1.78 0.20 0.00 -0.02 0.00 0.00 31.44 30.76 3h2l n GLU 361 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3h2l n LEU 362 N -2.09 2.67 -4.68 -4.62 4.77 -0.63 -4.57 117.00 107.86 3h2l n LEU 362 Ca 0.03 -0.90 -0.39 0.00 -0.03 0.00 0.00 56.01 54.73 3h2l n LEU 362 Cb 0.28 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.30 3h2l n LEU 362 CO 0.22 0.45 0.23 -0.63 -1.33 0.00 0.00 177.39 176.33 3h2l s ILE 363 N -1.99 5.12 -0.25 -0.08 1.01 -1.09 -5.06 121.20 118.87 3h2l s ILE 363 Ca 0.30 0.97 -0.09 0.00 0.00 0.00 0.00 60.65 61.83 3h2l s ILE 363 Cb 0.20 -3.85 -0.04 0.00 0.01 0.00 0.00 42.46 38.78 3h2l s ILE 363 CO 0.31 0.21 0.13 -0.89 0.00 0.00 0.00 174.94 174.70 3h2l s THR 364 N 1.41 4.98 -0.05 2.92 2.01 -1.26 -4.34 115.64 121.31 3h2l s THR 364 Ca 0.25 0.05 -0.04 0.00 0.31 0.00 0.00 61.69 62.26 3h2l s THR 364 Cb -0.15 -3.33 0.02 0.00 0.01 0.00 0.00 72.50 69.04 3h2l s THR 364 CO 0.10 0.33 0.13 -0.94 -0.69 0.00 0.00 174.62 173.55 3h2l s SER 365 N 1.34 -0.13 -1.41 3.53 1.04 0.30 -4.70 113.70 113.66 3h2l s SER 365 Ca 0.06 0.27 -0.02 0.00 0.48 0.00 0.00 55.95 56.74 3h2l s SER 365 Cb -0.15 0.26 0.01 0.00 0.10 0.00 0.00 66.02 66.24 3h2l s SER 365 CO 0.06 -0.06 0.52 0.00 0.98 0.00 0.00 173.24 174.74 3h2l n SER 367 N -2.98 -4.72 -4.29 0.00 7.64 -1.26 -4.91 113.62 103.10 3h2l n SER 367 Ca -0.27 0.21 -0.16 0.00 1.01 0.00 0.00 58.87 59.66 3h2l n SER 367 Cb 0.67 -3.51 -0.10 0.00 -1.01 0.00 0.00 64.21 60.25 3h2l n SER 367 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3h2l s SER 368 N -2.04 2.11 0.05 6.43 0.01 -0.80 -4.64 113.70 114.82 3h2l s SER 368 Ca 0.00 -1.03 0.02 0.00 1.31 0.00 0.00 55.95 56.26 3h2l s SER 368 Cb 0.00 -0.06 -0.03 0.00 0.21 0.00 0.00 66.02 66.14 3h2l s SER 368 CO 0.00 -0.28 -0.08 0.54 0.41 0.00 0.00 173.24 173.84 3h2l s ASN 369 N -3.23 0.89 0.22 2.44 4.22 0.05 -0.54 114.94 118.99 3h2l s ASN 369 Ca 0.20 -0.62 -0.30 0.00 -2.14 0.00 0.00 52.86 50.00 3h2l s ASN 369 Cb 0.01 0.05 -0.09 0.00 1.28 0.00 0.00 41.25 42.50 3h2l s ASN 369 CO 0.03 -0.24 1.21 -0.69 -2.04 0.00 0.00 177.10 175.37 3h2l s VAL 370 N -1.71 3.41 0.24 3.54 1.01 -1.26 -1.25 120.40 124.38 3h2l s VAL 370 Ca -0.07 1.24 -0.02 0.00 0.00 0.00 0.00 61.98 63.14 3h2l s VAL 370 Cb -0.08 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.48 3h2l s VAL 370 CO -0.00 0.22 0.23 -0.55 0.00 0.00 0.00 175.10 175.00 3h2l s SER 371 N -0.08 0.42 0.00 3.32 0.15 -0.40 -4.24 113.70 112.88 3h2l s SER 371 Ca 0.52 -1.39 0.06 0.00 0.70 0.00 0.00 55.95 55.84 3h2l s SER 371 Cb -0.34 0.46 -0.02 0.00 -1.71 0.00 0.00 66.02 64.42 3h2l s SER 371 CO 0.39 -0.96 -0.19 0.54 1.20 0.00 0.00 173.24 174.22 3h2l s VAL 372 N -3.94 1.51 0.00 4.45 0.11 -1.26 -1.27 120.40 120.01 3h2l s VAL 372 Ca 0.36 -0.91 0.00 0.00 -2.93 0.00 0.00 61.98 58.50 3h2l s VAL 372 Cb 0.05 -1.28 0.00 0.00 -1.53 0.00 0.00 36.38 33.62 3h2l s VAL 372 CO 0.15 0.35 0.00 0.00 -3.33 0.00 0.00 175.10 172.27 3h2l n ALA 373 N 2.39 0.00 -2.76 1.54 0.00 -0.45 -3.52 120.51 117.71 3h2l n ALA 373 Ca -0.16 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.06 3h2l n ALA 373 Cb 0.53 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.83 3h2l n ALA 373 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3h2l s HIS 374 N -1.57 1.29 0.21 0.00 3.76 -0.06 -1.15 115.29 117.77 3h2l s HIS 374 Ca 0.00 -0.30 -0.03 0.00 -0.15 0.00 0.00 55.06 54.59 3h2l s HIS 374 Cb 0.00 -0.86 0.05 0.00 1.11 0.00 0.00 32.58 32.87 3h2l s HIS 374 CO 0.00 -0.08 0.28 -0.40 -0.85 0.00 0.00 174.74 173.70 3h2l n ASP 375 N 2.97 0.12 0.27 1.40 3.85 0.15 -0.50 116.55 124.81 3h2l n ASP 375 Ca -0.16 -1.16 0.12 0.00 -0.71 0.00 0.00 54.79 52.87 3h2l n ASP 375 Cb 0.54 -0.21 0.76 0.00 -1.35 0.00 0.00 41.12 40.87 3h2l n ASP 375 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3h2l h ALA 376 N -1.48 1.62 -0.21 2.12 0.00 -1.89 -0.17 119.26 119.26 3h2l h ALA 376 Ca -0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3h2l h ALA 376 Cb 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3h2l h ALA 376 CO 0.07 0.06 0.00 -1.13 0.00 0.00 0.00 179.25 178.25 3h2l n SER 377 N -4.05 1.85 0.00 0.00 3.41 -1.26 -4.92 113.62 108.66 3h2l n SER 377 Ca -0.03 -1.77 0.00 0.00 -0.26 0.00 0.00 58.87 56.81 3h2l n SER 377 Cb 0.13 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3h2l n SER 377 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h2l n GLY 378 N 1.15 0.82 3.72 5.00 0.00 -0.08 -5.03 105.19 110.77 3h2l n GLY 378 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3h2l n GLY 378 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h2l s LYS 379 N -0.21 4.67 0.28 1.61 2.20 -1.26 -4.65 119.74 122.37 3h2l s LYS 379 Ca 0.00 1.45 -0.30 0.00 -0.36 0.00 0.00 55.97 56.75 3h2l s LYS 379 Cb 0.00 -3.40 -0.11 0.00 -1.51 0.00 0.00 37.83 32.81 3h2l s LYS 379 CO 0.00 0.15 1.59 1.03 -0.36 0.00 0.00 175.35 177.76 3h2l s ARG 380 N 0.23 4.14 -0.09 4.03 0.52 -1.26 -0.68 118.95 125.84 3h2l s ARG 380 Ca 0.48 2.55 -0.00 0.00 -0.52 0.00 0.00 55.73 58.24 3h2l s ARG 380 Cb -0.23 -3.04 0.02 0.00 0.52 0.00 0.00 34.95 32.23 3h2l s ARG 380 CO 0.29 -0.62 -0.05 0.08 0.02 0.00 0.00 175.30 175.02 3h2l s VAL 381 N 0.14 0.77 0.26 3.52 1.01 -0.30 -4.88 120.40 120.92 3h2l s VAL 381 Ca 0.64 -0.15 -0.23 0.00 0.00 0.00 0.00 61.98 62.24 3h2l s VAL 381 Cb -0.47 -0.83 -0.09 0.00 0.00 0.00 0.00 36.38 34.99 3h2l s VAL 381 CO 0.46 0.32 0.83 -0.31 0.00 0.00 0.00 175.10 176.39 3h2l s TYR 382 N 1.67 3.70 0.10 5.22 2.02 -1.26 -1.34 117.35 127.45 3h2l s TYR 382 Ca 0.02 1.59 -0.14 0.00 -0.37 0.00 0.00 57.07 58.18 3h2l s TYR 382 Cb -0.13 -2.77 0.02 0.00 -0.40 0.00 0.00 41.96 38.68 3h2l s TYR 382 CO -0.06 0.30 0.33 1.52 -1.57 0.00 0.00 175.55 176.07 3h2l s TYR 383 N -1.53 -0.10 -0.06 2.71 1.13 -0.40 -4.98 117.35 114.14 3h2l s TYR 383 Ca 0.45 -0.20 -0.15 0.00 -1.41 0.00 0.00 57.07 55.77 3h2l s TYR 383 Cb -0.18 0.14 -0.05 0.00 -1.10 0.00 0.00 41.96 40.77 3h2l s TYR 383 CO 0.23 -0.62 0.39 -0.51 -2.51 0.00 0.00 175.55 172.53 3h2l s LEU 384 N -2.64 4.39 0.00 -3.49 1.43 -1.26 -1.27 118.68 115.84 3h2l s LEU 384 Ca 0.02 0.83 0.06 0.00 -1.03 0.00 0.00 54.13 54.00 3h2l s LEU 384 Cb 0.02 -2.54 -0.02 0.00 0.03 0.00 0.00 46.19 43.68 3h2l s LEU 384 CO -0.10 0.23 0.20 1.07 0.23 0.00 0.00 176.35 177.98 3h2l n THR 385 N 2.48 0.00 -3.85 5.49 5.66 -0.38 -4.75 114.28 118.93 3h2l n THR 385 Ca -0.13 -1.92 -0.07 0.00 -3.05 0.00 0.00 64.05 58.88 3h2l n THR 385 Cb 0.52 0.90 -0.01 0.00 -1.55 0.00 0.00 70.33 70.19 3h2l n THR 385 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3h2l s ARG 386 N -3.11 1.85 0.11 1.09 1.70 -1.26 -0.77 118.95 118.56 3h2l s ARG 386 Ca 0.28 -1.06 -0.31 0.00 -0.47 0.00 0.00 55.73 54.18 3h2l s ARG 386 Cb 0.01 0.61 -0.10 0.00 -0.57 0.00 0.00 34.95 34.90 3h2l s ARG 386 CO 0.20 -0.85 1.80 0.34 -1.08 0.00 0.00 175.30 175.71 3h2l s ASP 387 N -2.95 6.46 0.00 -2.89 -1.08 -1.26 -4.90 116.67 110.06 3h2l s ASP 387 Ca 0.12 2.70 0.24 0.00 -0.52 0.00 0.00 52.55 55.08 3h2l s ASP 387 Cb -0.06 -2.56 1.32 0.00 -1.46 0.00 0.00 42.92 40.16 3h2l s ASP 387 CO 0.08 -0.98 1.87 -0.81 0.52 0.00 0.00 175.17 175.84 3h2l n PRO 388 N 5.76 1.15 0.16 4.34 -0.04 -1.26 -4.38 135.00 140.73 3h2l n PRO 388 Ca 0.17 -0.22 -0.16 0.00 -0.04 0.00 0.00 63.50 63.26 3h2l n PRO 388 Cb 0.39 -1.39 -0.08 0.00 -0.04 0.00 0.00 33.50 32.38 3h2l n PRO 388 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3h2l h THR 389 N 0.49 0.12 -0.33 0.52 2.02 -1.95 0.84 112.91 114.62 3h2l h THR 389 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 3h2l h THR 389 Cb 0.10 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.62 3h2l h THR 389 CO 0.00 0.00 0.08 0.74 0.37 0.00 0.00 175.52 176.71 3h2l h THR 390 N -0.75 1.22 -0.75 3.16 2.02 -1.95 0.17 112.91 116.03 3h2l h THR 390 Ca -0.00 -0.75 0.14 0.00 0.77 0.00 0.00 66.41 66.57 3h2l h THR 390 Cb 0.73 1.08 -0.10 0.00 -1.74 0.00 0.00 68.15 68.13 3h2l h THR 390 CO -0.19 0.25 0.29 -0.65 0.37 0.00 0.00 175.52 175.58 3h2l h PRO 391 N 0.38 0.41 -0.01 6.66 0.11 -1.80 -1.48 132.00 136.27 3h2l h PRO 391 Ca 0.10 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 66.02 3h2l h PRO 391 Cb 0.30 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.30 3h2l h PRO 391 CO 0.00 0.27 -0.78 -0.07 -0.21 0.00 0.00 178.00 177.22 3h2l h LEU 392 N 0.42 0.11 -0.29 2.35 3.38 -0.35 -0.69 115.31 120.25 3h2l h LEU 392 Ca 0.41 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 3h2l h LEU 392 Cb 0.64 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3h2l h LEU 392 CO -0.41 0.84 0.12 0.00 0.09 0.00 0.00 178.44 179.08 3h2l h ALA 393 N 1.15 0.37 -0.16 1.53 0.00 -0.34 -1.92 119.26 119.90 3h2l h ALA 393 Ca -0.02 -0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 3h2l h ALA 393 Cb 1.36 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3h2l h ALA 393 CO 0.11 -0.03 -0.45 0.00 0.00 0.00 0.00 179.25 178.87 3h2l h ARG 394 N 0.32 0.41 -0.66 0.00 3.08 -1.20 -2.59 114.38 113.73 3h2l h ARG 394 Ca 0.10 -0.22 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 3h2l h ARG 394 Cb 0.17 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 3h2l h ARG 394 CO -0.01 0.78 0.26 0.00 -1.07 0.00 0.00 179.97 179.93 3h2l h ALA 395 N 1.19 1.20 -0.54 0.04 0.00 -1.05 -1.42 119.26 118.67 3h2l h ALA 395 Ca 0.02 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 3h2l h ALA 395 Cb 0.93 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 3h2l h ALA 395 CO 0.08 0.58 0.07 0.00 0.00 0.00 0.00 179.25 179.97 3h2l h ALA 396 N 1.32 1.09 -0.58 0.00 0.00 -1.14 -0.76 119.26 119.20 3h2l h ALA 396 Ca 0.22 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3h2l h ALA 396 Cb 0.20 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3h2l h ALA 396 CO -0.02 0.59 -0.04 2.35 0.00 0.00 0.00 179.25 182.13 3h2l h TRP 397 N 0.83 1.16 0.00 0.00 2.91 -1.24 -2.87 115.95 116.74 3h2l h TRP 397 Ca 0.17 -0.21 0.00 0.00 1.13 0.00 0.00 58.89 59.97 3h2l h TRP 397 Cb 0.40 -0.30 0.00 0.00 -0.51 0.00 0.00 29.16 28.75 3h2l h TRP 397 CO 0.02 1.04 -0.05 0.39 -1.03 0.00 0.00 178.44 178.81 3h2l n GLU 398 N -4.18 0.15 0.09 2.65 1.02 -0.56 -1.38 120.64 118.44 3h2l n GLU 398 Ca 0.02 0.11 -0.03 0.00 -0.02 0.00 0.00 57.16 57.24 3h2l n GLU 398 Cb 0.37 -1.67 0.18 0.00 -0.02 0.00 0.00 31.44 30.30 3h2l n GLU 398 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3h2l h THR 399 N 0.00 1.34 0.00 2.62 2.02 -0.90 -3.33 112.91 114.66 3h2l h THR 399 Ca 0.00 -1.70 0.00 0.00 0.77 0.00 0.00 66.41 65.48 3h2l h THR 399 Cb 0.64 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.85 3h2l h THR 399 CO 0.00 0.51 -1.57 0.00 0.37 0.00 0.00 175.52 174.82 3h2l n ALA 400 N -2.47 2.73 -3.36 6.16 0.00 -1.08 -4.87 120.51 117.61 3h2l n ALA 400 Ca -0.02 -0.37 -0.19 0.00 0.00 0.00 0.00 53.44 52.86 3h2l n ALA 400 Cb 0.53 -0.52 -0.16 0.00 0.00 0.00 0.00 19.45 19.30 3h2l n ALA 400 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3h2l s ARG 401 N -2.98 0.81 0.09 0.00 1.81 -0.48 -4.93 118.95 113.28 3h2l s ARG 401 Ca -0.04 -0.17 -0.30 0.00 -1.72 0.00 0.00 55.73 53.49 3h2l s ARG 401 Cb 0.10 -0.79 -0.06 0.00 -0.45 0.00 0.00 34.95 33.75 3h2l s ARG 401 CO 0.63 -0.00 1.20 -1.01 -0.68 0.00 0.00 175.30 175.44 3h2l s HIS 402 N 0.57 3.44 0.28 -0.53 3.76 -1.26 -4.25 115.29 117.30 3h2l s HIS 402 Ca -0.08 1.33 0.10 0.00 -0.15 0.00 0.00 55.06 56.26 3h2l s HIS 402 Cb -0.11 -3.42 -0.05 0.00 1.11 0.00 0.00 32.58 30.10 3h2l s HIS 402 CO 0.00 -1.27 -0.16 0.95 -0.85 0.00 0.00 174.74 173.42 3h2l s THR 403 N 0.79 2.21 0.27 1.30 -4.23 -1.26 -5.05 115.64 109.68 3h2l s THR 403 Ca 0.57 -2.31 0.02 0.00 -1.18 0.00 0.00 61.69 58.80 3h2l s THR 403 Cb -0.30 -2.33 0.06 0.00 1.34 0.00 0.00 72.50 71.26 3h2l s THR 403 CO 0.31 -0.39 1.70 -0.65 -0.54 0.00 0.00 174.62 175.05 3h2l h PRO 404 N 2.28 0.48 -5.20 3.99 0.11 -1.96 -3.41 132.00 128.29 3h2l h PRO 404 Ca -0.40 -0.19 -0.66 0.00 0.11 0.00 0.00 66.00 64.85 3h2l h PRO 404 Cb 1.25 -0.02 -0.30 0.00 0.11 0.00 0.00 31.00 32.03 3h2l h PRO 404 CO 0.63 0.72 -0.80 0.08 -0.21 0.00 0.00 178.00 178.42 3h2l s VAL 405 N -4.45 2.72 -0.98 3.15 1.01 -1.26 -4.60 120.40 115.98 3h2l s VAL 405 Ca -0.07 -0.75 -0.17 0.00 0.00 0.00 0.00 61.98 60.99 3h2l s VAL 405 Cb 0.14 -2.15 0.15 0.00 0.00 0.00 0.00 36.38 34.52 3h2l s VAL 405 CO 0.79 0.51 1.16 0.20 0.00 0.00 0.00 175.10 177.76 3h2l s ASN 406 N 0.78 6.76 0.37 3.32 0.01 -0.88 -4.88 114.94 120.41 3h2l s ASN 406 Ca -0.06 -2.35 0.13 0.00 -0.71 0.00 0.00 52.86 49.87 3h2l s ASN 406 Cb -0.15 -2.38 0.95 0.00 0.41 0.00 0.00 41.25 40.08 3h2l s ASN 406 CO 0.00 -0.93 1.80 0.77 -1.51 0.00 0.00 177.10 177.24 3h2l h SER 407 N 8.32 0.57 -0.53 -1.22 4.64 -1.92 -1.62 113.55 121.79 3h2l h SER 407 Ca 0.19 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3h2l h SER 407 Cb 0.99 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 63.03 3h2l h SER 407 CO 1.10 0.19 0.35 4.11 -0.87 0.00 0.00 176.83 181.70 3h2l h TRP 408 N 0.55 0.67 -0.02 4.77 5.08 -1.90 0.92 115.95 126.03 3h2l h TRP 408 Ca 0.55 0.01 -0.22 0.00 1.08 0.00 0.00 58.89 60.31 3h2l h TRP 408 Cb 1.16 -0.23 0.02 0.00 -3.00 0.00 0.00 29.16 27.11 3h2l h TRP 408 CO -0.00 0.43 -0.86 1.25 -1.28 0.00 0.00 178.44 177.98 3h2l h LEU 409 N 0.73 0.78 -1.14 0.11 5.85 -1.70 -1.67 115.31 118.27 3h2l h LEU 409 Ca 0.20 -0.73 -0.03 0.00 0.84 0.00 0.00 57.88 58.15 3h2l h LEU 409 Cb -0.07 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.69 3h2l h LEU 409 CO -0.04 1.41 0.20 1.23 -0.34 0.00 0.00 178.44 180.90 3h2l h GLY 410 N 0.23 0.86 1.09 3.75 0.00 -1.32 -2.07 103.07 105.62 3h2l h GLY 410 Ca -0.10 -0.44 -0.14 0.00 0.00 0.00 0.00 47.33 46.65 3h2l h GLY 410 CO 0.17 0.42 -0.28 3.43 0.00 0.00 0.00 176.54 180.29 3h2l h ASN 411 N 0.79 0.97 -0.03 0.19 2.35 -0.76 -1.14 115.58 117.96 3h2l h ASN 411 Ca 0.19 -0.43 0.01 0.00 -0.55 0.00 0.00 56.30 55.52 3h2l h ASN 411 Cb 0.19 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 3h2l h ASN 411 CO -0.01 1.19 -0.02 0.40 -1.65 0.00 0.00 177.43 177.33 3h2l h ILE 412 N 0.76 0.94 -0.39 2.81 2.04 -1.23 0.17 117.51 122.61 3h2l h ILE 412 Ca 0.08 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.01 3h2l h ILE 412 Cb 0.86 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.82 3h2l h ILE 412 CO 0.08 0.00 0.03 0.40 0.00 0.00 0.00 178.15 178.65 3h2l h ILE 413 N -0.03 0.74 0.00 -0.67 2.04 -1.27 -0.29 117.51 118.04 3h2l h ILE 413 Ca 0.02 -0.05 -0.14 0.00 1.00 0.00 0.00 64.86 65.69 3h2l h ILE 413 Cb 0.05 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 3h2l h ILE 413 CO -0.04 0.03 -1.09 0.24 0.00 0.00 0.00 178.15 177.28 3h2l h MET 414 N 0.14 0.00 -0.08 2.37 2.86 -1.13 -3.35 114.93 115.74 3h2l h MET 414 Ca 0.19 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.80 3h2l h MET 414 Cb 0.25 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 3h2l h MET 414 CO -0.29 0.34 -0.28 0.66 1.06 0.00 0.00 176.91 178.40 3h2l n TYR 415 N -2.99 0.24 -0.12 -0.22 4.01 0.58 -4.85 117.16 113.81 3h2l n TYR 415 Ca -0.05 -1.37 0.12 0.00 -0.16 0.00 0.00 57.90 56.44 3h2l n TYR 415 Cb 0.79 -0.27 0.48 0.00 -0.31 0.00 0.00 39.34 40.03 3h2l n TYR 415 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3h2l h ALA 416 N 0.81 2.01 0.00 -0.72 0.00 -1.19 -0.98 119.26 119.19 3h2l h ALA 416 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3h2l h ALA 416 Cb 1.14 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3h2l h ALA 416 CO 0.08 -0.16 0.00 -2.30 0.00 0.00 0.00 179.25 176.87 3h2l n PRO 417 N -4.48 0.12 -2.39 0.00 -0.02 -1.26 -4.47 135.00 122.50 3h2l n PRO 417 Ca 0.11 0.08 -0.32 0.00 -2.02 0.00 0.00 63.50 61.35 3h2l n PRO 417 Cb 0.40 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.35 3h2l n PRO 417 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3h2l s THR 418 N -2.85 4.42 0.17 3.45 -4.23 -0.37 -4.92 115.64 111.30 3h2l s THR 418 Ca 0.15 1.19 -0.15 0.00 -1.18 0.00 0.00 61.69 61.71 3h2l s THR 418 Cb 0.16 -3.66 0.04 0.00 1.34 0.00 0.00 72.50 70.38 3h2l s THR 418 CO 0.41 -0.63 1.82 0.25 -0.54 0.00 0.00 174.62 175.93 3h2l h LEU 419 N 0.95 0.49 -0.19 4.79 5.85 -1.90 -2.70 115.31 122.59 3h2l h LEU 419 Ca -0.47 -0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.03 3h2l h LEU 419 Cb 1.19 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.11 3h2l h LEU 419 CO 0.61 0.35 -0.94 4.11 -0.34 0.00 0.00 178.44 182.23 3h2l h TRP 420 N 0.59 0.47 -0.34 1.25 5.08 -1.94 -1.93 115.95 119.13 3h2l h TRP 420 Ca 0.18 -0.27 -0.15 0.00 1.08 0.00 0.00 58.89 59.73 3h2l h TRP 420 Cb -0.02 -0.05 -0.01 0.00 -3.00 0.00 0.00 29.16 26.08 3h2l h TRP 420 CO -0.06 1.09 -0.39 0.00 -1.28 0.00 0.00 178.44 177.80 3h2l h ALA 421 N 0.82 0.66 0.27 0.11 0.00 -1.79 -1.82 119.26 117.51 3h2l h ALA 421 Ca -0.07 -0.45 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 3h2l h ALA 421 Cb 1.58 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.26 3h2l h ALA 421 CO 0.15 0.67 -0.13 0.00 0.00 0.00 0.00 179.25 179.94 3h2l h ARG 422 N 0.68 -0.35 -0.06 0.00 3.08 -1.52 -0.29 114.38 115.91 3h2l h ARG 422 Ca 0.06 0.02 -0.20 0.00 0.07 0.00 0.00 59.98 59.93 3h2l h ARG 422 Cb 0.96 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.08 3h2l h ARG 422 CO 0.09 -0.01 -0.79 0.52 -1.07 0.00 0.00 179.97 178.71 3h2l h MET 423 N -0.78 0.41 0.00 0.04 2.86 -1.42 -3.33 114.93 112.71 3h2l h MET 423 Ca -0.04 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.24 3h2l h MET 423 Cb 0.50 0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.25 3h2l h MET 423 CO 0.06 1.01 -0.43 -0.89 1.06 0.00 0.00 176.91 177.73 3h2l n ILE 424 N -3.81 0.84 -0.04 -1.22 5.41 -0.70 -4.24 119.36 115.60 3h2l n ILE 424 Ca -0.05 0.28 -0.09 0.00 1.00 0.00 0.00 62.75 63.89 3h2l n ILE 424 Cb 0.75 -1.82 -0.02 0.00 -0.71 0.00 0.00 39.64 37.83 3h2l n ILE 424 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3h2l h LEU 425 N -0.43 -0.02 -0.03 1.39 3.38 -1.45 0.20 115.31 118.34 3h2l h LEU 425 Ca 0.00 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3h2l h LEU 425 Cb 0.43 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 3h2l h LEU 425 CO 0.00 0.02 0.02 0.24 0.09 0.00 0.00 178.44 178.80 3h2l h MET 426 N 0.10 0.04 0.18 1.13 2.86 -1.17 -2.27 114.93 115.79 3h2l h MET 426 Ca 0.09 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 3h2l h MET 426 Cb 0.10 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.76 3h2l h MET 426 CO -0.14 0.08 -0.09 1.15 1.06 0.00 0.00 176.91 178.97 3h2l h THR 427 N -0.02 0.87 0.03 2.22 2.02 -1.61 -1.55 112.91 114.88 3h2l h THR 427 Ca 0.01 -0.22 0.01 0.00 0.77 0.00 0.00 66.41 66.98 3h2l h THR 427 Cb 0.05 1.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.45 3h2l h THR 427 CO -0.00 0.05 -0.08 -0.74 0.37 0.00 0.00 175.52 175.12 3h2l h HIS 428 N -0.35 -0.21 0.00 3.16 6.17 -0.65 -2.50 115.15 120.78 3h2l h HIS 428 Ca -0.02 0.00 -0.20 0.00 0.71 0.00 0.00 60.37 60.86 3h2l h HIS 428 Cb 0.27 0.09 -0.03 0.00 2.52 0.00 0.00 27.41 30.26 3h2l h HIS 428 CO -0.03 -0.13 -1.01 0.74 0.71 0.00 0.00 177.93 178.21 3h2l h PHE 429 N -0.16 0.00 -0.38 5.26 0.04 -1.39 -2.41 116.94 117.90 3h2l h PHE 429 Ca 0.02 0.00 -0.08 0.00 2.80 0.00 0.00 57.97 60.71 3h2l h PHE 429 Cb 0.18 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 3h2l h PHE 429 CO -0.13 0.94 -0.11 0.74 -0.60 0.00 0.00 178.31 179.15 3h2l h PHE 430 N 0.00 0.71 -0.17 -0.55 0.04 -1.34 -0.61 116.94 115.02 3h2l h PHE 430 Ca -0.03 -0.12 0.04 0.00 2.80 0.00 0.00 57.97 60.66 3h2l h PHE 430 Cb 1.74 -0.19 -0.04 0.00 2.20 0.00 0.00 35.95 39.67 3h2l h PHE 430 CO 0.00 0.74 -0.08 1.03 -0.60 0.00 0.00 178.31 179.39 3h2l h SER 431 N 0.60 -0.28 -0.43 2.17 0.87 -1.28 -0.10 113.55 115.11 3h2l h SER 431 Ca 0.11 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.74 3h2l h SER 431 Cb 0.54 0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.63 3h2l h SER 431 CO 0.03 -0.11 0.28 0.40 -0.53 0.00 0.00 176.83 176.90 3h2l h ILE 432 N -0.07 1.11 -0.63 2.23 2.04 -1.19 -1.60 117.51 119.39 3h2l h ILE 432 Ca 0.09 -0.20 -0.07 0.00 1.00 0.00 0.00 64.86 65.68 3h2l h ILE 432 Cb 0.21 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 3h2l h ILE 432 CO -0.21 0.11 0.10 -0.07 0.00 0.00 0.00 178.15 178.08 3h2l h LEU 433 N 0.58 0.99 0.09 1.44 3.38 -0.87 -1.65 115.31 119.27 3h2l h LEU 433 Ca 0.16 -0.23 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 3h2l h LEU 433 Cb -0.07 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.42 3h2l h LEU 433 CO -0.03 0.99 -0.05 -0.07 0.09 0.00 0.00 178.44 179.37 3h2l h LEU 434 N 0.97 -0.11 -1.59 1.67 3.38 -0.85 0.13 115.31 118.91 3h2l h LEU 434 Ca 0.20 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3h2l h LEU 434 Cb 0.42 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3h2l h LEU 434 CO 0.01 0.02 0.28 0.00 0.09 0.00 0.00 178.44 178.83 3h2l h ALA 435 N 0.67 1.70 -0.08 1.53 0.00 -1.08 -2.22 119.26 119.79 3h2l h ALA 435 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3h2l h ALA 435 Cb 0.19 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3h2l h ALA 435 CO 0.02 0.28 0.00 1.04 0.00 0.00 0.00 179.25 180.59 3h2l n GLN 436 N -4.47 2.07 -3.86 0.00 1.13 -0.64 -4.96 117.38 106.64 3h2l n GLN 436 Ca 0.03 -1.56 -0.25 0.00 -1.94 0.00 0.00 57.00 53.28 3h2l n GLN 436 Cb 0.06 -1.47 -0.00 0.00 0.11 0.00 0.00 30.24 28.94 3h2l n GLN 436 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3h2l n GLU 437 N 0.87 -3.44 -0.48 -1.09 1.02 -0.59 -4.93 120.64 112.00 3h2l n GLU 437 Ca 0.17 0.46 0.07 0.00 -0.02 0.00 0.00 57.16 57.84 3h2l n GLU 437 Cb 0.49 -4.63 0.17 0.00 -0.02 0.00 0.00 31.44 27.45 3h2l n GLU 437 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3h2l n GLN 438 N -4.34 1.34 -0.07 3.49 6.02 0.34 -4.74 117.38 119.41 3h2l n GLN 438 Ca -0.29 -2.92 0.01 0.00 -0.01 0.00 0.00 57.00 53.79 3h2l n GLN 438 Cb 0.67 -1.45 0.30 0.00 1.02 0.00 0.00 30.24 30.79 3h2l n GLN 438 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3h2l h LEU 439 N 0.64 0.62 0.00 1.08 3.38 -1.92 -2.60 115.31 116.52 3h2l h LEU 439 Ca -0.01 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3h2l h LEU 439 Cb 1.07 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3h2l h LEU 439 CO 0.01 0.55 -0.21 -0.62 0.09 0.00 0.00 178.44 178.26 3h2l n GLU 440 N -4.37 0.08 -2.23 1.13 1.02 -1.26 -3.85 120.64 111.15 3h2l n GLU 440 Ca 0.04 0.04 -0.43 0.00 -0.02 0.00 0.00 57.16 56.80 3h2l n GLU 440 Cb 0.14 -1.57 -0.02 0.00 -0.02 0.00 0.00 31.44 29.96 3h2l n GLU 440 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3h2l s LYS 441 N -3.04 4.21 0.36 3.49 2.20 -0.98 -4.93 119.74 121.05 3h2l s LYS 441 Ca 0.12 1.91 -0.28 0.00 -0.36 0.00 0.00 55.97 57.36 3h2l s LYS 441 Cb 0.17 -3.86 -0.10 0.00 -1.51 0.00 0.00 37.83 32.53 3h2l s LYS 441 CO 0.61 -0.76 1.39 0.00 -0.36 0.00 0.00 175.35 176.22 3h2l s ALA 442 N 3.69 3.52 0.03 3.13 0.00 -1.26 -4.50 121.76 126.37 3h2l s ALA 442 Ca 0.63 1.40 0.06 0.00 0.00 0.00 0.00 51.96 54.06 3h2l s ALA 442 Cb -0.27 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 19.29 3h2l s ALA 442 CO 0.22 -0.84 -0.18 -0.51 0.00 0.00 0.00 175.76 174.46 3h2l s LEU 443 N -1.96 2.15 0.13 0.00 1.43 0.90 -4.86 118.68 116.46 3h2l s LEU 443 Ca 0.51 -0.46 -0.27 0.00 -1.03 0.00 0.00 54.13 52.88 3h2l s LEU 443 Cb -0.43 -0.81 -0.07 0.00 0.03 0.00 0.00 46.19 44.91 3h2l s LEU 443 CO 0.57 0.12 0.85 -1.81 0.23 0.00 0.00 176.35 176.32 3h2l s ASP 444 N -1.03 7.42 0.14 2.29 1.01 -1.26 0.06 116.67 125.29 3h2l s ASP 444 Ca 0.05 1.69 -0.16 0.00 0.71 0.00 0.00 52.55 54.84 3h2l s ASP 444 Cb -0.08 -2.54 0.03 0.00 1.01 0.00 0.00 42.92 41.34 3h2l s ASP 444 CO 0.01 0.07 0.41 0.00 0.21 0.00 0.00 175.17 175.87 3h2l s GLN 446 N -3.83 3.58 -0.19 0.00 -0.21 -1.26 0.07 119.66 117.82 3h2l s GLN 446 Ca 0.05 -0.53 0.00 0.00 0.02 0.00 0.00 55.36 54.91 3h2l s GLN 446 Cb 0.02 -3.16 0.02 0.00 1.00 0.00 0.00 33.01 30.88 3h2l s GLN 446 CO -0.10 -0.11 -0.16 0.42 -2.12 0.00 0.00 175.29 173.22 3h2l s ILE 447 N 1.35 2.33 -1.31 1.08 1.01 -0.69 -4.66 121.20 120.31 3h2l s ILE 447 Ca 0.04 -0.90 -0.06 0.00 0.00 0.00 0.00 60.65 59.73 3h2l s ILE 447 Cb -0.15 -2.02 0.04 0.00 0.01 0.00 0.00 42.46 40.34 3h2l s ILE 447 CO 0.01 0.48 0.41 -1.22 0.00 0.00 0.00 174.94 174.63 3h2l n TYR 448 N 4.64 -1.75 0.00 3.97 4.01 -1.26 -2.36 117.16 124.42 3h2l n TYR 448 Ca -0.20 0.38 0.00 0.00 -0.16 0.00 0.00 57.90 57.92 3h2l n TYR 448 Cb 0.50 -3.29 0.00 0.00 -0.31 0.00 0.00 39.34 36.24 3h2l n TYR 448 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3h2l n GLY 449 N -1.18 2.40 3.87 2.72 0.00 -1.26 -0.80 105.19 110.93 3h2l n GLY 449 Ca -0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.64 3h2l n GLY 449 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h2l s ALA 450 N -2.25 3.51 -0.14 4.61 0.00 -0.99 -4.37 121.76 122.13 3h2l s ALA 450 Ca 0.00 -0.23 -0.10 0.00 0.00 0.00 0.00 51.96 51.63 3h2l s ALA 450 Cb 0.00 -2.51 -0.05 0.00 0.00 0.00 0.00 23.12 20.57 3h2l s ALA 450 CO 0.00 0.42 0.21 0.00 0.00 0.00 0.00 175.76 176.39 3h2l s TYR 452 N -0.33 1.40 -0.21 0.00 2.02 0.11 -0.59 117.35 119.75 3h2l s TYR 452 Ca 0.15 -0.41 -0.24 0.00 -0.37 0.00 0.00 57.07 56.20 3h2l s TYR 452 Cb -0.13 -0.97 -0.01 0.00 -0.40 0.00 0.00 41.96 40.45 3h2l s TYR 452 CO 0.04 -0.16 0.79 0.45 -1.57 0.00 0.00 175.55 175.10 3h2l s SER 453 N 0.20 6.84 -0.03 2.29 0.15 -1.26 -0.72 113.70 121.17 3h2l s SER 453 Ca -0.05 1.04 0.03 0.00 0.70 0.00 0.00 55.95 57.66 3h2l s SER 453 Cb -0.11 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 3h2l s SER 453 CO 0.02 -0.44 -0.11 -0.63 1.20 0.00 0.00 173.24 173.28 3h2l s ILE 454 N 2.47 0.95 -0.27 6.45 1.01 0.11 -4.88 121.20 127.04 3h2l s ILE 454 Ca 0.35 -0.44 -0.20 0.00 0.00 0.00 0.00 60.65 60.36 3h2l s ILE 454 Cb -0.16 -0.84 -0.02 0.00 0.01 0.00 0.00 42.46 41.45 3h2l s ILE 454 CO 0.09 0.29 0.63 -1.61 0.00 0.00 0.00 174.94 174.35 3h2l s GLU 455 N 0.26 4.05 0.59 2.79 2.02 -1.26 -0.07 118.70 127.08 3h2l s GLU 455 Ca -0.05 0.49 0.29 0.00 0.02 0.00 0.00 54.97 55.71 3h2l s GLU 455 Cb -0.10 -3.67 1.60 0.00 0.10 0.00 0.00 34.13 32.05 3h2l s GLU 455 CO 0.01 -0.46 2.04 -1.35 0.02 0.00 0.00 175.26 175.52 3h2l h PRO 456 N 7.97 0.00 0.00 0.39 0.11 -1.79 -0.02 132.00 138.66 3h2l h PRO 456 Ca -0.27 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.84 3h2l h PRO 456 Cb 1.12 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3h2l h PRO 456 CO 0.78 0.00 -0.01 -0.07 -0.21 0.00 0.00 178.00 178.49 3h2l h LEU 457 N 0.00 0.00 -0.05 2.35 3.38 -1.93 -2.52 115.31 116.54 3h2l h LEU 457 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3h2l h LEU 457 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3h2l h LEU 457 CO -0.00 0.01 -0.02 0.47 0.09 0.00 0.00 178.44 178.99 3h2l n ASP 458 N -3.10 0.09 -0.25 -0.43 10.43 -0.02 -4.39 116.55 118.88 3h2l n ASP 458 Ca 0.01 -0.42 0.06 0.00 2.57 0.00 0.00 54.79 57.01 3h2l n ASP 458 Cb 0.32 -0.18 0.19 0.00 1.84 0.00 0.00 41.12 43.29 3h2l n ASP 458 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 3h2l h LEU 459 N 0.12 0.08 -0.75 0.64 3.38 -1.54 -2.16 115.31 115.08 3h2l h LEU 459 Ca 0.00 0.14 0.02 0.00 0.09 0.00 0.00 57.88 58.13 3h2l h LEU 459 Cb 0.24 0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 3h2l h LEU 459 CO 0.00 -0.01 0.48 -0.65 0.09 0.00 0.00 178.44 178.35 3h2l h PRO 460 N 0.31 0.92 -0.47 1.13 0.11 -1.84 -0.13 132.00 132.02 3h2l h PRO 460 Ca 0.42 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.44 3h2l h PRO 460 Cb 0.71 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.59 3h2l h PRO 460 CO -0.49 0.61 0.17 1.96 -0.21 0.00 0.00 178.00 180.04 3h2l h GLN 461 N 0.94 0.71 -0.11 1.05 7.50 -1.77 -1.51 115.11 121.93 3h2l h GLN 461 Ca 0.29 -0.14 0.00 0.00 0.50 0.00 0.00 58.65 59.30 3h2l h GLN 461 Cb -0.02 -0.11 -0.01 0.00 0.05 0.00 0.00 27.48 27.40 3h2l h GLN 461 CO -0.10 0.66 0.07 0.82 -1.50 0.00 0.00 178.83 178.78 3h2l h ILE 462 N 0.62 1.04 -0.64 2.54 2.04 -1.09 -2.43 117.51 119.58 3h2l h ILE 462 Ca 0.15 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 3h2l h ILE 462 Cb 0.23 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 3h2l h ILE 462 CO -0.01 0.04 0.31 0.40 0.00 0.00 0.00 178.15 178.89 3h2l h ILE 463 N 0.13 1.22 -0.91 -0.67 2.04 -0.90 -1.55 117.51 116.87 3h2l h ILE 463 Ca 0.04 -0.61 0.10 0.00 1.00 0.00 0.00 64.86 65.39 3h2l h ILE 463 Cb 0.00 0.43 -0.08 0.00 -0.74 0.00 0.00 36.82 36.44 3h2l h ILE 463 CO -0.01 0.25 0.55 -0.08 0.00 0.00 0.00 178.15 178.87 3h2l h GLU 464 N 0.89 0.90 -0.23 2.37 4.81 -1.15 -0.33 114.58 121.83 3h2l h GLU 464 Ca 0.22 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.27 3h2l h GLU 464 Cb 0.11 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 3h2l h GLU 464 CO -0.03 0.59 -0.34 0.00 -0.73 0.00 0.00 179.01 178.50 3h2l h ARG 465 N 0.92 0.64 0.00 1.92 2.47 -0.85 0.13 114.38 119.61 3h2l h ARG 465 Ca 0.44 -0.38 -0.07 0.00 -1.26 0.00 0.00 59.98 58.71 3h2l h ARG 465 Cb 0.37 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.71 3h2l h ARG 465 CO -0.24 0.99 -1.04 -0.07 0.56 0.00 0.00 179.97 180.17 3h2l h LEU 466 N 0.35 0.00 0.00 3.04 3.38 -1.20 -3.40 115.31 117.48 3h2l h LEU 466 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3h2l h LEU 466 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3h2l h LEU 466 CO 0.08 0.25 -0.57 1.41 0.09 0.00 0.00 178.44 179.69 3h2l n HIS 467 N -2.83 0.00 0.00 1.13 8.25 -0.15 -0.99 115.22 120.64 3h2l n HIS 467 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 3h2l n HIS 467 Cb 0.67 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.78 3h2l n HIS 467 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h2l n GLY 468 N 1.62 -0.95 0.26 -1.41 0.00 0.45 -4.51 105.19 100.65 3h2l n GLY 468 Ca 0.00 -1.63 0.13 0.00 0.00 0.00 0.00 46.02 44.52 3h2l n GLY 468 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3h2l h LEU 469 N 0.00 0.00 -2.29 0.99 3.38 -1.88 -2.79 115.31 112.73 3h2l h LEU 469 Ca 0.00 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3h2l h LEU 469 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3h2l h LEU 469 CO 0.00 0.13 0.12 0.77 0.09 0.00 0.00 178.44 179.55 3h2l h SER 470 N 0.00 0.00 -0.53 -0.43 4.64 -1.96 -1.79 113.55 113.48 3h2l h SER 470 Ca -0.00 0.00 0.15 0.00 -0.47 0.00 0.00 61.79 61.47 3h2l h SER 470 Cb 0.37 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 3h2l h SER 470 CO 0.02 0.00 0.42 0.00 -0.87 0.00 0.00 176.83 176.39 3h2l h ALA 471 N 1.86 2.42 -0.09 5.18 0.00 -1.72 -0.68 119.26 126.23 3h2l h ALA 471 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3h2l h ALA 471 Cb 0.30 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3h2l h ALA 471 CO -0.00 -0.69 0.00 1.19 0.00 0.00 0.00 179.25 179.75 3h2l n PHE 472 N -4.18 0.11 -0.99 0.00 3.72 -0.67 -4.28 117.46 111.16 3h2l n PHE 472 Ca 0.10 -0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 3h2l n PHE 472 Cb 0.64 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.18 3h2l n PHE 472 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3h2l n SER 473 N 0.44 0.26 -4.72 4.37 3.41 -0.32 -4.51 113.62 112.54 3h2l n SER 473 Ca 0.18 -1.24 -0.42 0.00 -0.26 0.00 0.00 58.87 57.13 3h2l n SER 473 Cb 0.39 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.28 3h2l n SER 473 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3h2l s LEU 474 N -0.15 4.38 0.33 1.04 1.43 -0.86 -3.83 118.68 121.02 3h2l s LEU 474 Ca 0.00 2.40 0.05 0.00 -1.03 0.00 0.00 54.13 55.56 3h2l s LEU 474 Cb 0.00 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.60 3h2l s LEU 474 CO 0.00 -0.64 0.22 -1.38 0.23 0.00 0.00 176.35 174.78 3h2l s HIS 475 N 0.74 1.67 -1.20 0.29 -3.43 0.34 -4.92 115.29 108.78 3h2l s HIS 475 Ca 0.62 -1.52 -0.06 0.00 -0.80 0.00 0.00 55.06 53.30 3h2l s HIS 475 Cb -0.38 -0.80 -0.02 0.00 -1.43 0.00 0.00 32.58 29.95 3h2l s HIS 475 CO 0.34 -0.69 0.80 0.43 -2.00 0.00 0.00 174.74 173.62 3h2l n SER 476 N -1.26 -3.53 -4.73 7.38 7.64 -1.26 -0.88 113.62 116.98 3h2l n SER 476 Ca 0.03 -0.82 -0.34 0.00 1.01 0.00 0.00 58.87 58.75 3h2l n SER 476 Cb 0.64 -4.27 0.09 0.00 -1.01 0.00 0.00 64.21 59.65 3h2l n SER 476 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3h2l s TYR 477 N -3.53 2.11 0.53 1.43 2.02 -1.26 -4.31 117.35 114.35 3h2l s TYR 477 Ca 0.22 1.59 -0.21 0.00 -0.37 0.00 0.00 57.07 58.30 3h2l s TYR 477 Cb -0.05 -3.45 -0.05 0.00 -0.40 0.00 0.00 41.96 38.00 3h2l s TYR 477 CO 0.80 -2.52 1.22 -1.54 -1.57 0.00 0.00 175.55 171.93 3h2l s SER 478 N -2.04 5.60 0.25 2.29 1.04 -1.23 -4.83 113.70 114.78 3h2l s SER 478 Ca 0.74 2.41 -0.02 0.00 0.48 0.00 0.00 55.95 59.56 3h2l s SER 478 Cb -0.29 -2.61 0.49 0.00 0.10 0.00 0.00 66.02 63.72 3h2l s SER 478 CO 0.44 -1.32 1.75 -0.65 0.98 0.00 0.00 173.24 174.44 3h2l h PRO 479 N 1.43 0.53 -0.52 4.02 0.11 -1.96 -0.86 132.00 134.76 3h2l h PRO 479 Ca -0.50 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.59 3h2l h PRO 479 Cb 1.28 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 3h2l h PRO 479 CO 0.57 0.35 0.33 0.78 -0.21 0.00 0.00 178.00 179.82 3h2l h GLY 480 N 0.54 0.73 0.84 -0.55 0.00 -1.99 0.39 103.07 103.04 3h2l h GLY 480 Ca 0.44 -0.25 -0.00 0.00 0.00 0.00 0.00 47.33 47.51 3h2l h GLY 480 CO -0.38 0.23 -0.01 -2.09 0.00 0.00 0.00 176.54 174.30 3h2l h GLU 481 N 0.66 -0.02 -0.66 4.80 4.57 -1.79 -2.00 114.58 120.15 3h2l h GLU 481 Ca 0.20 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.44 3h2l h GLU 481 Cb -0.03 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.50 3h2l h GLU 481 CO -0.07 0.15 0.36 0.82 -1.18 0.00 0.00 179.01 179.09 3h2l h ILE 482 N -0.18 0.95 -0.66 2.32 2.04 -1.06 -1.95 117.51 118.97 3h2l h ILE 482 Ca -0.00 -0.23 -0.05 0.00 1.00 0.00 0.00 64.86 65.58 3h2l h ILE 482 Cb 0.18 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 36.46 3h2l h ILE 482 CO 0.00 0.12 0.19 0.78 0.00 0.00 0.00 178.15 179.25 3h2l h ASN 483 N 0.66 0.94 -0.39 1.72 2.35 -0.87 -1.26 115.58 118.74 3h2l h ASN 483 Ca 0.30 -0.17 -0.06 0.00 -0.55 0.00 0.00 56.30 55.82 3h2l h ASN 483 Cb 0.20 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 3h2l h ASN 483 CO -0.19 0.89 0.02 -0.09 -1.65 0.00 0.00 177.43 176.41 3h2l h ARG 484 N 0.97 0.67 -0.00 0.81 2.43 -0.84 -0.65 114.38 117.76 3h2l h ARG 484 Ca 0.21 -0.20 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3h2l h ARG 484 Cb 0.29 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3h2l h ARG 484 CO -0.01 0.75 0.00 0.28 -1.51 0.00 0.00 179.97 179.48 3h2l h VAL 485 N 0.50 1.14 -0.73 0.20 2.07 -1.24 -2.36 116.25 115.83 3h2l h VAL 485 Ca 0.11 -0.41 0.15 0.00 0.82 0.00 0.00 66.70 67.37 3h2l h VAL 485 Cb 0.43 1.42 -0.10 0.00 -1.52 0.00 0.00 31.29 31.51 3h2l h VAL 485 CO 0.02 0.11 0.22 0.00 0.02 0.00 0.00 177.57 177.93 3h2l h ALA 486 N 0.83 0.97 -0.79 1.67 0.00 -1.15 -1.17 119.26 119.62 3h2l h ALA 486 Ca 0.00 0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3h2l h ALA 486 Cb 0.17 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3h2l h ALA 486 CO -0.00 -0.30 0.36 1.03 0.00 0.00 0.00 179.25 180.34 3h2l h SER 487 N 0.32 1.05 -0.54 0.00 0.87 -0.94 -2.61 113.55 111.70 3h2l h SER 487 Ca 0.41 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.79 3h2l h SER 487 Cb 0.67 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 62.33 3h2l h SER 487 CO -0.47 0.91 0.21 0.00 -0.53 0.00 0.00 176.83 176.95 3h2l h LEU 489 N 0.74 1.09 -0.34 0.00 3.38 -1.14 -0.99 115.31 118.06 3h2l h LEU 489 Ca 0.18 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3h2l h LEU 489 Cb 0.21 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3h2l h LEU 489 CO -0.01 0.97 0.17 0.03 0.09 0.00 0.00 178.44 179.69 3h2l h ARG 490 N 1.14 0.48 0.17 1.13 3.08 -1.32 0.30 114.38 119.36 3h2l h ARG 490 Ca 0.26 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.25 3h2l h ARG 490 Cb 0.23 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 3h2l h ARG 490 CO -0.02 0.43 -0.17 -0.22 -1.07 0.00 0.00 179.97 178.91 3h2l h LYS 491 N 0.41 -0.36 0.00 0.04 3.64 -0.94 -3.08 116.57 116.27 3h2l h LYS 491 Ca 0.12 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3h2l h LYS 491 Cb 0.10 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3h2l h LYS 491 CO -0.02 -0.24 -0.11 -0.07 -2.27 0.00 0.00 179.45 176.74 3h2l h LEU 492 N -0.38 0.00 -1.43 5.20 3.38 -1.18 -3.46 115.31 117.45 3h2l h LEU 492 Ca 0.00 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 3h2l h LEU 492 Cb 0.36 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.16 3h2l h LEU 492 CO -0.05 0.00 -0.25 0.61 0.09 0.00 0.00 178.44 178.85 3h2l n GLY 493 N 1.17 0.31 3.82 0.83 0.00 0.91 -1.39 105.19 110.82 3h2l n GLY 493 Ca 0.04 -0.32 -0.38 0.00 0.00 0.00 0.00 46.02 45.35 3h2l n GLY 493 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h2l s VAL 494 N -3.12 4.79 0.48 1.61 1.01 -0.34 -0.51 120.40 124.33 3h2l s VAL 494 Ca 0.10 1.14 -0.22 0.00 0.00 0.00 0.00 61.98 63.00 3h2l s VAL 494 Cb -0.04 -3.86 -0.09 0.00 0.00 0.00 0.00 36.38 32.38 3h2l s VAL 494 CO 0.25 0.55 0.82 -2.65 0.00 0.00 0.00 175.10 174.07 3h2l n PRO 495 N 1.71 0.96 -0.74 2.72 -0.02 -1.26 -4.65 135.00 133.72 3h2l n PRO 495 Ca -0.11 0.35 -0.31 0.00 -2.02 0.00 0.00 63.50 61.41 3h2l n PRO 495 Cb 0.51 -1.90 0.16 0.00 -0.02 0.00 0.00 33.50 32.25 3h2l n PRO 495 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3h2l s PRO 496 N -2.08 1.11 0.60 0.52 0.04 -1.26 -4.81 135.00 129.12 3h2l s PRO 496 Ca 0.67 1.52 0.37 0.00 0.04 0.00 0.00 61.00 63.60 3h2l s PRO 496 Cb -0.52 -1.74 1.90 0.00 0.04 0.00 0.00 34.50 34.18 3h2l s PRO 496 CO 0.55 -2.56 2.20 -0.07 0.04 0.00 0.00 177.00 177.16 3h2l h LEU 497 N -1.82 0.00 -1.20 -3.56 3.38 -2.00 -1.35 115.31 108.76 3h2l h LEU 497 Ca -0.43 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.49 3h2l h LEU 497 Cb 1.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 3h2l h LEU 497 CO 0.42 0.03 0.05 0.08 0.09 0.00 0.00 178.44 179.11 3h2l h ARG 498 N 0.00 0.60 -0.21 1.13 0.11 -2.00 -0.55 114.38 113.46 3h2l h ARG 498 Ca -0.00 -0.12 -0.07 0.00 0.10 0.00 0.00 59.98 59.89 3h2l h ARG 498 Cb 0.20 -0.09 -0.00 0.00 1.11 0.00 0.00 29.97 31.19 3h2l h ARG 498 CO 0.00 0.59 -0.13 0.28 0.10 0.00 0.00 179.97 180.81 3h2l h VAL 499 N 0.58 1.31 -0.91 0.08 2.07 -1.59 -2.49 116.25 115.31 3h2l h VAL 499 Ca 0.13 -1.23 0.03 0.00 0.82 0.00 0.00 66.70 66.45 3h2l h VAL 499 Cb 0.30 1.67 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 3h2l h VAL 499 CO 0.00 0.37 0.59 -0.50 0.02 0.00 0.00 177.57 178.06 3h2l h TRP 500 N 0.15 1.11 -0.76 1.57 4.06 -1.42 -0.80 115.95 119.87 3h2l h TRP 500 Ca 0.04 0.03 0.02 0.00 2.06 0.00 0.00 58.89 61.04 3h2l h TRP 500 Cb 0.64 -0.37 -0.04 0.00 -1.00 0.00 0.00 29.16 28.39 3h2l h TRP 500 CO 0.07 0.65 0.49 -0.09 -3.56 0.00 0.00 178.44 176.00 3h2l h ARG 501 N 1.16 0.96 0.33 0.49 2.43 -1.07 -0.59 114.38 118.09 3h2l h ARG 501 Ca 0.36 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.46 3h2l h ARG 501 Cb -0.02 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.32 3h2l h ARG 501 CO -0.11 0.64 -0.17 1.25 -1.51 0.00 0.00 179.97 180.06 3h2l h HIS 502 N 0.99 -0.45 -0.57 2.20 2.76 -0.84 -2.04 115.15 117.21 3h2l h HIS 502 Ca 0.29 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.44 3h2l h HIS 502 Cb -0.07 0.15 -0.03 0.00 1.55 0.00 0.00 27.41 29.02 3h2l h HIS 502 CO -0.03 -0.28 0.32 0.00 -1.30 0.00 0.00 177.93 176.65 3h2l h ARG 503 N -0.47 0.78 -0.77 5.26 3.08 -1.12 -2.72 114.38 118.42 3h2l h ARG 503 Ca -0.04 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.89 3h2l h ARG 503 Cb 0.37 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 3h2l h ARG 503 CO 0.06 0.56 0.31 0.00 -1.07 0.00 0.00 179.97 179.84 3h2l h ALA 504 N 1.57 1.00 -0.67 0.04 0.00 -0.82 0.70 119.26 121.08 3h2l h ALA 504 Ca 0.20 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.00 3h2l h ALA 504 Cb 0.00 -0.30 -0.07 0.00 0.00 0.00 0.00 17.79 17.43 3h2l h ALA 504 CO -0.04 0.63 0.34 0.00 0.00 0.00 0.00 179.25 180.18 3h2l h ARG 505 N 1.12 0.57 0.16 0.00 3.08 -1.05 0.19 114.38 118.45 3h2l h ARG 505 Ca 0.26 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 3h2l h ARG 505 Cb 0.21 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.13 3h2l h ARG 505 CO -0.02 0.38 -0.08 1.03 -1.07 0.00 0.00 179.97 180.21 3h2l h SER 506 N 0.59 -0.19 -0.59 7.04 0.87 -1.29 -1.93 113.55 118.05 3h2l h SER 506 Ca 0.32 -0.12 0.02 0.00 -1.23 0.00 0.00 61.79 60.78 3h2l h SER 506 Cb 0.31 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.28 3h2l h SER 506 CO -0.24 0.01 0.37 0.58 -0.53 0.00 0.00 176.83 177.02 3h2l h VAL 507 N -0.38 1.10 -0.17 2.23 2.07 -0.55 -0.54 116.25 120.02 3h2l h VAL 507 Ca -0.02 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.27 3h2l h VAL 507 Cb 0.30 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 3h2l h VAL 507 CO 0.04 0.14 0.00 -0.09 0.02 0.00 0.00 177.57 177.68 3h2l h ARG 508 N 0.74 0.06 -0.74 1.57 2.43 -0.63 -0.26 114.38 117.55 3h2l h ARG 508 Ca 0.23 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.39 3h2l h ARG 508 Cb -0.03 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.48 3h2l h ARG 508 CO -0.08 0.04 0.43 0.00 -1.51 0.00 0.00 179.97 178.85 3h2l h ALA 509 N 1.14 0.95 -0.29 2.80 0.00 -0.93 0.10 119.26 123.03 3h2l h ALA 509 Ca 0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3h2l h ALA 509 Cb 0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3h2l h ALA 509 CO -0.13 0.44 0.16 0.00 0.00 0.00 0.00 179.25 179.72 3h2l h ARG 510 N 1.02 0.40 -0.33 0.00 3.08 -0.95 -0.39 114.38 117.21 3h2l h ARG 510 Ca 0.26 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.28 3h2l h ARG 510 Cb -0.01 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 3h2l h ARG 510 CO -0.05 0.35 0.19 -0.07 -1.07 0.00 0.00 179.97 179.33 3h2l h LEU 511 N 0.35 0.32 -0.74 3.04 3.38 -0.55 -2.82 115.31 118.28 3h2l h LEU 511 Ca 0.10 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.09 3h2l h LEU 511 Cb 0.06 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3h2l h LEU 511 CO -0.02 0.23 0.48 -0.07 0.09 0.00 0.00 178.44 179.16 3h2l h LEU 512 N 0.40 0.82 -1.89 1.67 3.38 -0.66 -2.64 115.31 116.38 3h2l h LEU 512 Ca 0.13 -0.01 0.37 0.00 0.09 0.00 0.00 57.88 58.46 3h2l h LEU 512 Cb -0.00 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.49 3h2l h LEU 512 CO -0.06 0.58 0.92 0.28 0.09 0.00 0.00 178.44 180.25 3h2l h SER 513 N 0.96 0.07 0.04 -0.43 0.02 -0.80 -2.47 113.55 110.94 3h2l h SER 513 Ca 0.29 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 3h2l h SER 513 Cb -0.05 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.50 3h2l h SER 513 CO -0.08 -0.00 -0.15 0.00 -1.14 0.00 0.00 176.83 175.45 3h2l n GLN 514 N -4.23 1.57 -0.50 3.45 6.02 -1.01 -5.07 117.38 117.62 3h2l n GLN 514 Ca 0.29 -1.13 0.07 0.00 -0.01 0.00 0.00 57.00 56.21 3h2l n GLN 514 Cb 1.33 -1.48 -0.02 0.00 1.02 0.00 0.00 30.24 31.09 3h2l n GLN 514 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3h2l n GLY 515 N 1.31 -1.25 7.00 1.08 0.00 -0.93 -4.81 105.19 107.59 3h2l n GLY 515 Ca 0.14 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.12 3h2l n GLY 515 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h2l n GLY 516 N -1.46 1.19 0.37 -0.02 0.00 -1.26 -2.11 105.19 101.90 3h2l n GLY 516 Ca 0.00 -0.56 0.08 0.00 0.00 0.00 0.00 46.02 45.54 3h2l n GLY 516 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3h2l h ARG 517 N 0.00 0.87 -0.68 1.61 3.08 -1.94 -0.97 114.38 116.35 3h2l h ARG 517 Ca 0.00 -0.05 0.09 0.00 0.07 0.00 0.00 59.98 60.09 3h2l h ARG 517 Cb 0.00 -0.20 -0.07 0.00 0.08 0.00 0.00 29.97 29.78 3h2l h ARG 517 CO 0.00 0.57 0.32 0.00 -1.07 0.00 0.00 179.97 179.80 3h2l h ALA 518 N 1.56 0.93 -0.59 0.04 0.00 -1.84 -1.02 119.26 118.34 3h2l h ALA 518 Ca 0.45 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.33 3h2l h ALA 518 Cb 0.50 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3h2l h ALA 518 CO -0.22 -0.08 -0.01 0.00 0.00 0.00 0.00 179.25 178.94 3h2l h ALA 519 N 1.42 0.86 -0.38 0.00 0.00 -0.64 -0.50 119.26 120.02 3h2l h ALA 519 Ca 0.34 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3h2l h ALA 519 Cb 0.37 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3h2l h ALA 519 CO -0.28 0.66 0.13 1.15 0.00 0.00 0.00 179.25 180.92 3h2l h THR 520 N 0.95 0.88 -0.18 0.00 2.02 -1.06 0.26 112.91 115.78 3h2l h THR 520 Ca 0.17 -0.10 0.04 0.00 0.77 0.00 0.00 66.41 67.29 3h2l h THR 520 Cb 0.56 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 3h2l h THR 520 CO 0.03 0.05 -0.08 0.00 0.37 0.00 0.00 175.52 175.89 3h2l h GLY 522 N -0.06 0.97 1.01 0.00 0.00 -0.61 -1.87 103.07 102.51 3h2l h GLY 522 Ca 0.10 -0.23 -0.03 0.00 0.00 0.00 0.00 47.33 47.17 3h2l h GLY 522 CO -0.22 0.11 -0.28 1.70 0.00 0.00 0.00 176.54 177.85 3h2l h LYS 523 N 0.63 -0.77 0.01 4.80 3.64 -0.08 -3.13 116.57 121.68 3h2l h LYS 523 Ca 0.31 0.05 -0.08 0.00 -1.27 0.00 0.00 60.65 59.66 3h2l h LYS 523 Cb 0.24 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 3h2l h LYS 523 CO -0.21 -0.51 -0.44 1.88 -2.27 0.00 0.00 179.45 177.90 3h2l h TYR 524 N -0.80 0.05 0.00 1.91 0.05 -1.10 -3.09 116.97 113.99 3h2l h TYR 524 Ca -0.08 -0.04 -0.03 0.00 0.05 0.00 0.00 58.73 58.63 3h2l h TYR 524 Cb 0.61 -0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.34 3h2l h TYR 524 CO -0.03 1.17 -0.16 -0.07 -1.05 0.00 0.00 178.16 178.02 3h2l h LEU 525 N -0.93 0.00 -2.74 3.88 3.38 -1.51 -3.28 115.31 114.11 3h2l h LEU 525 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3h2l h LEU 525 Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3h2l h LEU 525 CO -0.04 0.16 -0.03 0.49 0.09 0.00 0.00 178.44 179.11 3h2l n PHE 526 N -3.27 0.00 0.24 1.13 3.72 -1.18 -4.67 117.46 113.42 3h2l n PHE 526 Ca 0.01 -0.58 0.17 0.00 -0.05 0.00 0.00 57.45 57.00 3h2l n PHE 526 Cb 0.43 -0.08 0.88 0.00 -0.94 0.00 0.00 39.48 39.77 3h2l n PHE 526 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 3h2l h ASN 527 N 0.00 0.00 0.67 4.37 -1.24 -1.60 0.82 115.58 118.61 3h2l h ASN 527 Ca 0.00 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.00 3h2l h ASN 527 Cb 0.76 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.81 3h2l h ASN 527 CO 0.00 0.00 -0.05 4.11 -1.29 0.00 0.00 177.43 180.20 3h2l h TRP 528 N 0.00 0.00 0.00 0.67 5.08 -1.83 -3.18 115.95 116.69 3h2l h TRP 528 Ca 0.06 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.03 3h2l h TRP 528 Cb 0.42 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.58 3h2l h TRP 528 CO 0.00 0.05 -0.05 0.00 -1.28 0.00 0.00 178.44 177.16 3h2l n ALA 529 N -2.14 2.35 -2.45 0.11 0.00 0.28 -4.86 120.51 113.81 3h2l n ALA 529 Ca -0.01 -0.06 -0.25 0.00 0.00 0.00 0.00 53.44 53.12 3h2l n ALA 529 Cb 0.26 -1.45 -0.11 0.00 0.00 0.00 0.00 19.45 18.15 3h2l n ALA 529 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3h2l s VAL 530 N -3.08 2.41 -0.14 0.00 -7.23 -1.20 -4.74 120.40 106.41 3h2l s VAL 530 Ca 0.11 -2.24 -0.07 0.00 -1.81 0.00 0.00 61.98 57.97 3h2l s VAL 530 Cb 0.14 -2.22 -0.25 0.00 0.56 0.00 0.00 36.38 34.61 3h2l s VAL 530 CO 0.59 -0.28 0.30 0.29 -0.31 0.00 0.00 175.10 175.70 3h2l n LYS 531 N -0.23 0.74 -2.54 4.82 5.02 -1.26 -4.54 118.16 120.17 3h2l n LYS 531 Ca -0.08 0.27 -0.42 0.00 -2.02 0.00 0.00 58.31 56.06 3h2l n LYS 531 Cb 0.58 -1.69 -0.01 0.00 -0.02 0.00 0.00 35.03 33.89 3h2l n LYS 531 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3h2l s THR 532 N -2.54 4.05 0.59 -0.18 -1.32 -1.26 -4.97 115.64 110.00 3h2l s THR 532 Ca -0.24 -1.69 -0.19 0.00 -1.21 0.00 0.00 61.69 58.36 3h2l s THR 532 Cb 0.07 -5.13 -0.04 0.00 -1.51 0.00 0.00 72.50 65.89 3h2l s THR 532 CO 0.74 -1.95 1.18 -0.54 -2.21 0.00 0.00 174.62 171.84 3h2l s LYS 533 N 4.49 3.04 0.50 7.08 -0.14 -1.26 -5.06 119.74 128.39 3h2l s LYS 533 Ca 0.54 1.73 -0.02 0.00 -1.36 0.00 0.00 55.97 56.86 3h2l s LYS 533 Cb 0.03 -1.95 0.00 0.00 -1.68 0.00 0.00 37.83 34.23 3h2l s LYS 533 CO 0.06 -1.12 0.75 -0.51 -0.76 0.00 0.00 175.35 173.76 3h2l s LEU 534 N -4.08 3.50 -0.31 3.17 1.43 -1.26 -5.06 118.68 116.06 3h2l s LEU 534 Ca 0.75 0.41 -0.22 0.00 -1.03 0.00 0.00 54.13 54.04 3h2l s LEU 534 Cb -0.28 -3.27 -0.00 0.00 0.03 0.00 0.00 46.19 42.67 3h2l s LEU 534 CO 0.32 -0.84 0.73 -0.75 0.23 0.00 0.00 176.35 176.05 3h2l s LYS 535 N -4.70 3.93 -0.61 1.70 2.47 -1.26 -5.01 119.74 116.25 3h2l s LYS 535 Ca 0.51 0.48 -0.17 0.00 -1.56 0.00 0.00 55.97 55.23 3h2l s LYS 535 Cb -0.10 -3.73 0.14 0.00 -1.46 0.00 0.00 37.83 32.67 3h2l s LYS 535 CO 0.40 -0.65 0.62 -0.51 0.16 0.00 0.00 175.35 175.38 3h2l s LEU 536 N 2.85 6.00 0.37 5.43 1.43 -1.26 -5.05 118.68 128.45 3h2l s LEU 536 Ca 0.30 -1.83 0.02 0.00 -1.03 0.00 0.00 54.13 51.59 3h2l s LEU 536 Cb -0.14 -2.24 -0.02 0.00 0.03 0.00 0.00 46.19 43.81 3h2l s LEU 536 CO 0.12 -0.90 0.56 0.42 0.23 0.00 0.00 176.35 176.78 3h2l s THR 537 N 1.75 4.55 0.14 5.49 -4.23 -1.26 -5.04 115.64 117.03 3h2l s THR 537 Ca 0.09 -0.62 -0.34 0.00 -1.18 0.00 0.00 61.69 59.64 3h2l s THR 537 Cb -0.24 -3.65 -0.14 0.00 1.34 0.00 0.00 72.50 69.81 3h2l s THR 537 CO 0.02 -0.39 1.55 -2.65 -0.54 0.00 0.00 174.62 172.60 3h2l n PRO 538 N -1.83 1.97 -2.68 3.99 -0.02 -1.26 -4.93 135.00 130.24 3h2l n PRO 538 Ca -0.02 0.71 -0.43 0.00 -2.02 0.00 0.00 63.50 61.74 3h2l n PRO 538 Cb 0.57 -2.46 -0.02 0.00 -0.02 0.00 0.00 33.50 31.57 3h2l n PRO 538 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3h2l s ILE 539 N 0.94 4.74 0.26 4.25 1.01 -1.26 -4.95 121.20 126.19 3h2l s ILE 539 Ca 0.80 2.03 -0.02 0.00 0.00 0.00 0.00 60.65 63.46 3h2l s ILE 539 Cb -0.73 -4.31 0.23 0.00 0.01 0.00 0.00 42.46 37.66 3h2l s ILE 539 CO 0.40 -0.07 1.79 -0.65 0.00 0.00 0.00 174.94 176.41 3h2l h PRO 540 N 7.25 0.71 0.00 2.79 0.11 -2.03 -1.94 132.00 138.88 3h2l h PRO 540 Ca -0.26 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.80 3h2l h PRO 540 Cb 1.11 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 3h2l h PRO 540 CO 0.91 0.47 -0.06 0.00 -0.21 0.00 0.00 178.00 179.11 3h2l h ALA 541 N 1.51 1.46 -0.41 -0.75 0.00 -2.01 -2.94 119.26 116.13 3h2l h ALA 541 Ca 0.44 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.32 3h2l h ALA 541 Cb 0.52 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 3h2l h ALA 541 CO -0.30 0.07 0.24 0.00 0.00 0.00 0.00 179.25 179.26 3h2l h ALA 542 N 1.94 0.52 -0.85 0.00 0.00 -1.66 -2.60 119.26 116.62 3h2l h ALA 542 Ca -0.00 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.02 3h2l h ALA 542 Cb 0.15 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 3h2l h ALA 542 CO 0.01 -0.09 0.55 0.66 0.00 0.00 0.00 179.25 180.38 3h2l h SER 543 N 0.49 0.68 0.02 0.00 4.64 -1.65 -2.50 113.55 115.23 3h2l h SER 543 Ca 0.16 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 3h2l h SER 543 Cb 0.01 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 61.99 3h2l h SER 543 CO -0.08 0.38 -0.18 1.67 -0.87 0.00 0.00 176.83 177.76 3h2l n GLN 544 N -4.53 1.63 -1.93 4.77 7.27 -1.10 -4.93 117.38 118.57 3h2l n GLN 544 Ca 0.15 -1.24 -0.42 0.00 0.07 0.00 0.00 57.00 55.56 3h2l n GLN 544 Cb 0.37 -1.47 -0.03 0.00 2.41 0.00 0.00 30.24 31.52 3h2l n GLN 544 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 3h2l s LEU 545 N -2.22 4.37 -0.69 1.69 0.20 -0.94 -4.94 118.68 116.15 3h2l s LEU 545 Ca 0.27 2.54 -0.24 0.00 0.69 0.00 0.00 54.13 57.39 3h2l s LEU 545 Cb 0.20 -3.58 0.06 0.00 -0.43 0.00 0.00 46.19 42.44 3h2l s LEU 545 CO 0.42 -0.86 1.07 -0.62 -0.29 0.00 0.00 176.35 176.07 3h2l s ASP 546 N 1.89 6.18 -0.08 3.68 -1.08 -1.26 -4.81 116.67 121.18 3h2l s ASP 546 Ca 0.72 -0.84 0.13 0.00 -0.52 0.00 0.00 52.55 52.04 3h2l s ASP 546 Cb -0.41 -2.46 0.37 0.00 -1.46 0.00 0.00 42.92 38.96 3h2l s ASP 546 CO 0.32 -1.56 1.30 0.18 0.52 0.00 0.00 175.17 175.92 3h2l n LEU 547 N 8.21 3.21 -4.68 -1.34 4.77 -1.26 -4.98 117.00 120.93 3h2l n LEU 547 Ca -0.01 -2.50 -0.42 0.00 -0.03 0.00 0.00 56.01 53.05 3h2l n LEU 547 Cb 0.47 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 3h2l n LEU 547 CO 0.66 0.69 1.34 -0.94 -1.33 0.00 0.00 177.39 177.80 3h2l s SER 548 N -1.52 6.64 0.00 -1.43 1.04 -1.26 -2.01 113.70 115.16 3h2l s SER 548 Ca 0.30 2.39 0.00 0.00 0.48 0.00 0.00 55.95 59.12 3h2l s SER 548 Cb 0.21 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.78 3h2l s SER 548 CO 0.11 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 174.04 3h2l n GLY 549 N 4.03 1.80 0.07 7.32 0.00 -1.26 -4.97 105.19 112.19 3h2l n GLY 549 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 3h2l n GLY 549 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3h2l h TRP 550 N 0.00 -0.06 -2.21 1.61 4.06 -1.79 -3.37 115.95 114.19 3h2l h TRP 550 Ca 0.00 -0.00 -0.58 0.00 2.06 0.00 0.00 58.89 60.37 3h2l h TRP 550 Cb 0.00 0.02 -0.42 0.00 -1.00 0.00 0.00 29.16 27.76 3h2l h TRP 550 CO 0.00 0.31 -0.71 1.19 -3.56 0.00 0.00 178.44 175.66 3h2l n PHE 551 N -4.94 3.25 -0.03 0.49 3.72 -1.26 -4.75 117.46 113.93 3h2l n PHE 551 Ca -0.08 -4.00 -0.08 0.00 -0.05 0.00 0.00 57.45 53.24 3h2l n PHE 551 Cb 0.21 -0.50 -0.03 0.00 -0.94 0.00 0.00 39.48 38.23 3h2l n PHE 551 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3h2l n VAL 552 N 0.25 1.16 -4.11 -4.37 0.31 -1.19 -4.24 118.33 106.14 3h2l n VAL 552 Ca 0.29 0.13 -0.11 0.00 -0.01 0.00 0.00 64.34 64.64 3h2l n VAL 552 Cb 0.43 -1.87 -0.08 0.00 -0.91 0.00 0.00 33.84 31.42 3h2l n VAL 552 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h2l s ALA 553 N -2.37 0.53 0.06 3.52 0.00 -1.25 -3.85 121.76 118.39 3h2l s ALA 553 Ca -0.16 -1.33 -0.05 0.00 0.00 0.00 0.00 51.96 50.43 3h2l s ALA 553 Cb 0.04 1.24 -0.05 0.00 0.00 0.00 0.00 23.12 24.35 3h2l s ALA 553 CO 0.22 -0.71 0.29 0.20 0.00 0.00 0.00 175.76 175.75 3h2l s GLY 554 N -3.09 2.23 -0.01 0.00 0.00 -1.26 -4.91 107.32 100.27 3h2l s GLY 554 Ca 0.31 -0.63 0.17 0.00 0.00 0.00 0.00 44.72 44.58 3h2l s GLY 554 CO 0.11 -0.51 1.12 -1.72 0.00 0.00 0.00 173.10 172.10 3h2l n TYR 555 N 0.65 0.00 -1.63 1.90 4.01 0.02 -4.50 117.16 117.60 3h2l n TYR 555 Ca -0.07 -0.41 -0.49 0.00 -0.16 0.00 0.00 57.90 56.77 3h2l n TYR 555 Cb 0.52 -0.13 -0.05 0.00 -0.31 0.00 0.00 39.34 39.37 3h2l n TYR 555 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3h2l n SER 556 N 0.23 2.40 0.00 7.72 2.88 -1.25 0.58 113.62 126.18 3h2l n SER 556 Ca 0.05 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 3h2l n SER 556 Cb 0.98 -1.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.14 3h2l n SER 556 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3h2l n GLY 557 N 3.02 1.32 0.17 0.46 0.00 -1.26 -4.18 105.19 104.72 3h2l n GLY 557 Ca 0.18 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.33 3h2l n GLY 557 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h2l n GLY 558 N -2.00 -0.63 3.58 -0.02 0.00 0.20 -3.26 105.19 103.05 3h2l n GLY 558 Ca 0.00 -0.26 -0.21 0.00 0.00 0.00 0.00 46.02 45.55 3h2l n GLY 558 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3h2l n ASP 559 N -0.55 -3.49 -4.62 1.61 2.03 -1.26 -4.52 116.55 105.76 3h2l n ASP 559 Ca 0.20 -0.65 -0.34 0.00 0.52 0.00 0.00 54.79 54.52 3h2l n ASP 559 Cb 0.18 -4.78 -0.10 0.00 -0.72 0.00 0.00 41.12 35.70 3h2l n ASP 559 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3h2l s ILE 560 N -3.40 4.54 -0.09 5.18 -1.09 -1.26 -4.37 121.20 120.72 3h2l s ILE 560 Ca 0.25 -0.13 0.04 0.00 -2.23 0.00 0.00 60.65 58.57 3h2l s ILE 560 Cb -0.11 -3.01 0.00 0.00 -1.58 0.00 0.00 42.46 37.76 3h2l s ILE 560 CO 0.76 0.50 -0.21 -0.47 -1.23 0.00 0.00 174.94 174.28 3h2l s TYR 561 N 0.13 2.24 0.00 3.97 5.04 0.23 -0.19 117.35 128.77 3h2l s TYR 561 Ca 0.03 -0.89 0.00 0.00 -2.44 0.00 0.00 57.07 53.77 3h2l s TYR 561 Cb -0.13 -1.52 0.00 0.00 0.35 0.00 0.00 41.96 40.66 3h2l s TYR 561 CO 0.01 -0.37 0.43 0.72 -1.34 0.00 0.00 175.55 175.00