#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h5u s MET 2 N 0.00 4.66 0.32 -0.41 1.00 -1.26 -1.33 119.30 122.28 3h5u s MET 2 Ca 0.00 1.41 -0.00 0.00 0.00 0.00 0.00 55.69 57.10 3h5u s MET 2 Cb 0.00 -2.96 0.52 0.00 0.00 0.00 0.00 34.83 32.39 3h5u s MET 2 CO 0.00 0.34 1.97 0.66 0.00 0.00 0.00 175.02 177.99 3h5u h SER 3 N 3.49 0.83 -5.04 3.03 4.64 -1.40 -3.41 113.55 115.69 3h5u h SER 3 Ca -0.46 -0.04 -0.11 0.00 -0.47 0.00 0.00 61.79 60.71 3h5u h SER 3 Cb 1.20 -0.21 -0.18 0.00 -0.31 0.00 0.00 62.40 62.90 3h5u h SER 3 CO 0.66 0.63 -0.34 -0.31 -0.87 0.00 0.00 176.83 176.60 3h5u s TYR 4 N -5.73 -0.04 0.06 4.77 2.02 -1.26 -0.85 117.35 116.31 3h5u s TYR 4 Ca -0.11 -0.07 0.07 0.00 -0.37 0.00 0.00 57.07 56.60 3h5u s TYR 4 Cb 0.17 0.03 -0.03 0.00 -0.40 0.00 0.00 41.96 41.74 3h5u s TYR 4 CO 0.78 -0.42 -0.20 0.95 -1.57 0.00 0.00 175.55 175.09 3h5u s THR 5 N -2.12 1.64 0.04 -0.71 -4.23 -0.40 -4.85 115.64 105.01 3h5u s THR 5 Ca -0.08 -1.29 0.08 0.00 -1.18 0.00 0.00 61.69 59.21 3h5u s THR 5 Cb -0.03 -1.45 -0.02 0.00 1.34 0.00 0.00 72.50 72.33 3h5u s THR 5 CO -0.01 0.11 -0.22 0.26 -0.54 0.00 0.00 174.62 174.22 3h5u s TRP 6 N -0.92 1.93 -0.19 3.99 0.52 -1.26 -0.19 118.94 122.82 3h5u s TRP 6 Ca 0.07 -0.38 0.17 0.00 0.02 0.00 0.00 56.10 55.98 3h5u s TRP 6 Cb -0.09 -1.17 0.05 0.00 -1.15 0.00 0.00 33.47 31.11 3h5u s TRP 6 CO 0.02 0.08 1.29 1.79 0.02 0.00 0.00 176.95 180.16 3h5u h THR 7 N 4.36 0.60 0.00 2.01 1.35 -1.24 -3.47 112.91 116.52 3h5u h THR 7 Ca -0.43 -1.91 0.00 0.00 -0.55 0.00 0.00 66.41 63.52 3h5u h THR 7 Cb 1.15 2.20 0.00 0.00 -1.73 0.00 0.00 68.15 69.78 3h5u h THR 7 CO 0.44 0.34 0.00 0.61 -0.25 0.00 0.00 175.52 176.66 3h5u n GLY 8 N 1.24 0.39 3.76 5.82 0.00 -1.26 -5.07 105.19 110.07 3h5u n GLY 8 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3h5u n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h5u s ALA 9 N -2.14 2.98 0.45 4.61 0.00 -1.26 -4.98 121.76 121.42 3h5u s ALA 9 Ca 0.00 1.32 -0.20 0.00 0.00 0.00 0.00 51.96 53.09 3h5u s ALA 9 Cb 0.00 -3.55 -0.10 0.00 0.00 0.00 0.00 23.12 19.47 3h5u s ALA 9 CO 0.00 -1.22 0.96 -0.51 0.00 0.00 0.00 175.76 174.99 3h5u s LEU 10 N -3.17 3.85 -0.32 0.00 1.43 -1.26 -4.81 118.68 114.40 3h5u s LEU 10 Ca 0.67 1.65 -0.28 0.00 -1.03 0.00 0.00 54.13 55.14 3h5u s LEU 10 Cb -0.40 -4.52 0.01 0.00 0.03 0.00 0.00 46.19 41.31 3h5u s LEU 10 CO 0.49 -0.42 1.00 -0.63 0.23 0.00 0.00 176.35 177.02 3h5u s ILE 11 N -2.30 4.58 0.16 -0.59 1.01 -1.26 -4.78 121.20 118.02 3h5u s ILE 11 Ca 0.61 1.59 0.06 0.00 0.00 0.00 0.00 60.65 62.91 3h5u s ILE 11 Cb -0.09 -4.35 -0.04 0.00 0.01 0.00 0.00 42.46 37.99 3h5u s ILE 11 CO 0.18 -0.43 0.06 0.42 0.00 0.00 0.00 174.94 175.18 3h5u s THR 12 N 3.48 4.12 0.75 2.92 -4.23 -1.26 -4.85 115.64 116.58 3h5u s THR 12 Ca 0.42 -1.20 -0.12 0.00 -1.18 0.00 0.00 61.69 59.61 3h5u s THR 12 Cb -0.13 -3.07 0.04 0.00 1.34 0.00 0.00 72.50 70.68 3h5u s THR 12 CO 0.15 -0.08 1.13 -2.16 -0.54 0.00 0.00 174.62 173.12 3h5u s PRO 13 N -2.93 2.46 0.00 3.99 0.04 -1.26 -4.37 135.00 132.93 3h5u s PRO 13 Ca 0.29 0.31 0.08 0.00 0.04 0.00 0.00 61.00 61.72 3h5u s PRO 13 Cb -0.10 -1.99 0.19 0.00 0.04 0.00 0.00 34.50 32.64 3h5u s PRO 13 CO 0.21 -1.29 1.09 0.00 0.04 0.00 0.00 177.00 177.05 3h5u s ALA 15 N -0.93 -1.63 0.50 0.00 0.00 -1.26 -5.14 121.76 113.30 3h5u s ALA 15 Ca 0.16 0.05 -0.22 0.00 0.00 0.00 0.00 51.96 51.94 3h5u s ALA 15 Cb 0.09 0.65 -0.06 0.00 0.00 0.00 0.00 23.12 23.80 3h5u s ALA 15 CO 0.11 -1.05 1.27 0.00 0.00 0.00 0.00 175.76 176.10 3h5u s ALA 16 N -3.11 2.91 -0.01 0.00 0.00 -1.26 -5.01 121.76 115.28 3h5u s ALA 16 Ca 0.14 1.16 0.06 0.00 0.00 0.00 0.00 51.96 53.32 3h5u s ALA 16 Cb -0.02 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.60 3h5u s ALA 16 CO 0.03 -1.04 -0.20 -1.21 0.00 0.00 0.00 175.76 173.34 3h5u s GLU 17 N -2.78 1.61 -0.08 0.00 2.02 -1.26 -5.13 118.70 113.08 3h5u s GLU 17 Ca 0.67 -0.72 0.02 0.00 0.02 0.00 0.00 54.97 54.96 3h5u s GLU 17 Cb -0.35 -1.56 -0.02 0.00 0.10 0.00 0.00 34.13 32.29 3h5u s GLU 17 CO 0.42 0.43 -0.12 -1.21 0.02 0.00 0.00 175.26 174.80 3h5u s GLU 18 N -0.50 2.83 -0.16 1.61 2.02 -1.26 -5.01 118.70 118.23 3h5u s GLU 18 Ca 0.08 -0.65 0.10 0.00 0.02 0.00 0.00 54.97 54.52 3h5u s GLU 18 Cb -0.08 -2.52 -0.17 0.00 0.10 0.00 0.00 34.13 31.47 3h5u s GLU 18 CO -0.01 0.52 -0.01 -1.13 0.02 0.00 0.00 175.26 174.65 3h5u n SER 19 N 2.63 1.61 -4.77 -0.19 3.41 -1.26 -4.49 113.62 110.56 3h5u n SER 19 Ca -0.18 -0.03 -0.39 0.00 -0.26 0.00 0.00 58.87 58.01 3h5u n SER 19 Cb 0.52 0.54 -0.06 0.00 -0.26 0.00 0.00 64.21 64.95 3h5u n SER 19 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3h5u s LYS 20 N -2.37 4.63 -0.08 4.33 -0.14 -1.26 -1.09 119.74 123.75 3h5u s LYS 20 Ca -0.13 1.24 -0.32 0.00 -1.36 0.00 0.00 55.97 55.40 3h5u s LYS 20 Cb 0.05 -3.22 -0.10 0.00 -1.68 0.00 0.00 37.83 32.88 3h5u s LYS 20 CO 0.57 0.54 1.98 -0.11 -0.76 0.00 0.00 175.35 177.57 3h5u n LEU 21 N 1.47 3.60 -4.74 3.17 7.94 -1.25 -4.89 117.00 122.29 3h5u n LEU 21 Ca -0.04 0.80 -0.41 0.00 -1.11 0.00 0.00 56.01 55.25 3h5u n LEU 21 Cb 0.48 -1.44 -0.03 0.00 0.53 0.00 0.00 43.42 42.96 3h5u n LEU 21 CO 0.47 -0.09 0.90 -2.84 -1.11 0.00 0.00 177.39 174.71 3h5u s PRO 22 N 4.68 4.48 -0.14 1.96 0.02 -1.26 -5.02 135.00 139.72 3h5u s PRO 22 Ca 0.94 1.93 -0.03 0.00 0.02 0.00 0.00 61.00 63.86 3h5u s PRO 22 Cb -0.56 -3.21 -0.03 0.00 0.02 0.00 0.00 34.50 30.72 3h5u s PRO 22 CO 0.46 -0.09 -0.05 0.42 -0.33 0.00 0.00 177.00 177.42 3h5u s ILE 23 N -0.24 3.83 0.00 2.83 -1.09 -1.26 -4.64 121.20 120.64 3h5u s ILE 23 Ca 0.52 -0.39 0.00 0.00 -2.23 0.00 0.00 60.65 58.55 3h5u s ILE 23 Cb -0.34 -2.65 0.00 0.00 -1.58 0.00 0.00 42.46 37.89 3h5u s ILE 23 CO 0.39 0.52 0.00 -0.46 -1.23 0.00 0.00 174.94 174.16 3h5u n ASN 24 N 3.25 1.05 0.28 3.58 6.94 -1.26 -5.01 115.26 124.07 3h5u n ASN 24 Ca -0.18 -0.55 0.16 0.00 -0.02 0.00 0.00 54.58 54.00 3h5u n ASN 24 Cb 0.53 0.00 0.73 0.00 -2.36 0.00 0.00 39.78 38.68 3h5u n ASN 24 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3h5u h ALA 25 N 1.00 1.04 0.00 -2.53 0.00 -1.99 -3.05 119.26 113.73 3h5u h ALA 25 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3h5u h ALA 25 Cb 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 3h5u h ALA 25 CO 0.00 0.06 -1.09 1.28 0.00 0.00 0.00 179.25 179.50 3h5u n LEU 26 N -3.21 0.79 -0.08 0.00 4.77 -1.26 -4.59 117.00 113.42 3h5u n LEU 26 Ca -0.00 0.31 -0.07 0.00 -0.03 0.00 0.00 56.01 56.22 3h5u n LEU 26 Cb 0.28 -0.05 -0.01 0.00 -2.33 0.00 0.00 43.42 41.32 3h5u n LEU 26 CO 0.27 -0.16 0.81 0.28 -1.33 0.00 0.00 177.39 177.26 3h5u h SER 27 N 0.00 -0.27 0.74 -1.43 0.02 -1.88 -2.38 113.55 108.36 3h5u h SER 27 Ca -0.01 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3h5u h SER 27 Cb 1.03 0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.75 3h5u h SER 27 CO 0.00 -0.09 0.00 0.78 -1.14 0.00 0.00 176.83 176.38 3h5u h ASN 28 N 0.00 0.00 1.33 3.07 2.35 -1.80 -1.12 115.58 119.41 3h5u h ASN 28 Ca 0.14 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 3h5u h ASN 28 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 3h5u h ASN 28 CO -0.30 0.00 0.00 0.77 -1.65 0.00 0.00 177.43 176.25 3h5u h SER 29 N 0.00 0.00 0.00 5.81 4.64 -1.73 -3.32 113.55 118.95 3h5u h SER 29 Ca 0.00 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.93 3h5u h SER 29 Cb 0.37 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.40 3h5u h SER 29 CO 0.00 0.00 -2.18 -0.11 -0.87 0.00 0.00 176.83 173.67 3h5u n LEU 30 N -2.56 1.93 -3.69 5.97 7.94 -0.51 -4.71 117.00 121.37 3h5u n LEU 30 Ca 0.04 0.36 -0.11 0.00 -1.11 0.00 0.00 56.01 55.19 3h5u n LEU 30 Cb 0.38 -0.85 -0.11 0.00 0.53 0.00 0.00 43.42 43.37 3h5u n LEU 30 CO 0.28 0.46 -0.02 -0.22 -1.11 0.00 0.00 177.39 176.78 3h5u s LEU 31 N -7.62 -0.16 -0.12 -1.96 0.20 -0.67 -3.96 118.68 104.40 3h5u s LEU 31 Ca -0.36 0.80 0.19 0.00 0.69 0.00 0.00 54.13 55.45 3h5u s LEU 31 Cb 0.12 1.13 -0.28 0.00 -0.43 0.00 0.00 46.19 46.73 3h5u s LEU 31 CO 0.51 -0.20 0.24 0.54 -0.29 0.00 0.00 176.35 177.15 3h5u n ARG 32 N 4.69 0.72 -2.49 1.98 5.12 -0.13 -4.19 116.66 122.36 3h5u n ARG 32 Ca -0.18 -0.09 -0.43 0.00 -1.93 0.00 0.00 57.85 55.23 3h5u n ARG 32 Cb 0.53 -1.51 0.00 0.00 -1.16 0.00 0.00 32.46 30.32 3h5u n ARG 32 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3h5u n HIS 33 N -2.51 3.21 0.22 -1.55 8.25 -0.92 -4.81 115.22 117.11 3h5u n HIS 33 Ca -0.20 -2.87 0.06 0.00 -0.26 0.00 0.00 57.72 54.45 3h5u n HIS 33 Cb 0.88 -1.93 0.51 0.00 1.12 0.00 0.00 29.99 30.57 3h5u n HIS 33 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3h5u h HIS 34 N 5.93 0.00 0.00 4.41 3.86 -1.86 -2.34 115.15 125.15 3h5u h HIS 34 Ca 0.37 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.58 3h5u h HIS 34 Cb 0.67 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.14 3h5u h HIS 34 CO 1.21 0.19 0.00 -0.91 0.86 0.00 0.00 177.93 179.28 3h5u h ASN 35 N 0.00 0.00 0.85 2.45 2.35 -1.98 -2.26 115.58 116.99 3h5u h ASN 35 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3h5u h ASN 35 Cb 0.35 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.72 3h5u h ASN 35 CO 0.02 0.00 -0.28 0.23 -1.65 0.00 0.00 177.43 175.75 3h5u n MET 36 N -2.48 0.08 -4.57 0.81 2.81 -0.88 -4.81 117.12 108.09 3h5u n MET 36 Ca 0.00 0.04 -0.34 0.00 -1.81 0.00 0.00 57.70 55.60 3h5u n MET 36 Cb 0.16 -1.57 -0.12 0.00 -0.71 0.00 0.00 33.22 30.98 3h5u n MET 36 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3h5u s VAL 37 N -3.04 3.62 0.08 2.03 1.01 -0.85 -0.30 120.40 122.96 3h5u s VAL 37 Ca 0.11 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 61.54 3h5u s VAL 37 Cb 0.17 -2.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.00 3h5u s VAL 37 CO 0.63 0.54 0.16 -0.72 0.00 0.00 0.00 175.10 175.70 3h5u s TYR 38 N -0.03 0.20 0.02 5.22 1.13 -0.83 -3.87 117.35 119.18 3h5u s TYR 38 Ca -0.00 -0.64 0.04 0.00 -1.41 0.00 0.00 57.07 55.06 3h5u s TYR 38 Cb -0.13 -0.10 -0.03 0.00 -1.10 0.00 0.00 41.96 40.59 3h5u s TYR 38 CO 0.03 -0.52 -0.10 0.00 -2.51 0.00 0.00 175.55 172.45 3h5u s ALA 39 N -3.83 2.90 0.40 9.51 0.00 -0.25 -0.70 121.76 129.79 3h5u s ALA 39 Ca 0.05 -1.07 -0.23 0.00 0.00 0.00 0.00 51.96 50.70 3h5u s ALA 39 Cb 0.05 -1.01 -0.09 0.00 0.00 0.00 0.00 23.12 22.06 3h5u s ALA 39 CO -0.11 0.60 1.01 0.95 0.00 0.00 0.00 175.76 178.22 3h5u s THR 40 N -0.98 3.92 0.28 0.00 -4.23 -0.49 -4.38 115.64 109.76 3h5u s THR 40 Ca 0.17 1.41 0.04 0.00 -1.18 0.00 0.00 61.69 62.13 3h5u s THR 40 Cb -0.11 -3.70 -0.06 0.00 1.34 0.00 0.00 72.50 69.97 3h5u s THR 40 CO 0.07 -0.05 0.02 0.42 -0.54 0.00 0.00 174.62 174.55 3h5u s THR 41 N -1.77 1.18 0.30 3.99 -4.23 -1.26 -4.16 115.64 109.69 3h5u s THR 41 Ca 0.58 -2.03 0.27 0.00 -1.18 0.00 0.00 61.69 59.32 3h5u s THR 41 Cb -0.19 -2.59 0.27 0.00 1.34 0.00 0.00 72.50 71.33 3h5u s THR 41 CO 0.24 -0.15 1.79 0.77 -0.54 0.00 0.00 174.62 176.72 3h5u h SER 42 N 2.27 0.00 -0.30 3.99 4.64 -1.88 -2.16 113.55 120.11 3h5u h SER 42 Ca -0.40 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.95 3h5u h SER 42 Cb 1.24 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.31 3h5u h SER 42 CO 0.67 0.00 0.20 -0.09 -0.87 0.00 0.00 176.83 176.74 3h5u h ARG 43 N 0.00 0.31 -0.02 4.77 2.43 -1.95 -1.83 114.38 118.09 3h5u h ARG 43 Ca 0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3h5u h ARG 43 Cb 0.37 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 3h5u h ARG 43 CO 0.00 0.21 -0.05 -1.13 -1.51 0.00 0.00 179.97 177.48 3h5u n SER 44 N -4.49 1.57 -0.20 -3.80 3.41 -0.81 -4.46 113.62 104.84 3h5u n SER 44 Ca 0.02 -1.44 0.11 0.00 -0.26 0.00 0.00 58.87 57.29 3h5u n SER 44 Cb 0.14 0.03 0.41 0.00 -0.26 0.00 0.00 64.21 64.52 3h5u n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h5u h ALA 45 N 4.27 1.86 -0.27 7.33 0.00 -1.46 -0.68 119.26 130.30 3h5u h ALA 45 Ca 0.00 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.95 3h5u h ALA 45 Cb 0.55 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3h5u h ALA 45 CO 0.00 -0.03 0.19 0.78 0.00 0.00 0.00 179.25 180.18 3h5u h GLY 46 N 0.63 0.19 1.35 0.00 0.00 -1.78 -0.32 103.07 103.14 3h5u h GLY 46 Ca 0.36 -0.06 -0.24 0.00 0.00 0.00 0.00 47.33 47.39 3h5u h GLY 46 CO -0.14 0.05 -0.95 -2.00 0.00 0.00 0.00 176.54 173.51 3h5u h LEU 47 N 0.16 0.76 -0.42 3.11 6.46 -1.45 -2.98 115.31 120.96 3h5u h LEU 47 Ca 0.12 -0.58 -0.08 0.00 -0.12 0.00 0.00 57.88 57.22 3h5u h LEU 47 Cb 0.27 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 39.95 3h5u h LEU 47 CO -0.02 1.38 -0.06 -0.09 -0.62 0.00 0.00 178.44 179.03 3h5u h ARG 48 N 0.35 0.78 -0.66 1.25 9.65 -1.30 -2.41 114.38 122.04 3h5u h ARG 48 Ca -0.09 -0.28 0.14 0.00 -1.10 0.00 0.00 59.98 58.65 3h5u h ARG 48 Cb 1.58 -0.05 -0.10 0.00 -1.39 0.00 0.00 29.97 30.01 3h5u h ARG 48 CO 0.18 0.88 0.11 1.96 2.80 0.00 0.00 179.97 185.90 3h5u h GLN 49 N 0.60 0.21 -0.55 0.20 4.20 -1.10 0.11 115.11 118.78 3h5u h GLN 49 Ca 0.11 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3h5u h GLN 49 Cb 0.57 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.27 3h5u h GLN 49 CO 0.03 0.14 0.36 0.87 -0.67 0.00 0.00 178.83 179.57 3h5u h LYS 50 N 0.22 0.73 -0.25 1.46 1.57 -1.33 -3.08 116.57 115.90 3h5u h LYS 50 Ca 0.36 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.95 3h5u h LYS 50 Cb 0.59 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 3h5u h LYS 50 CO -0.49 0.49 -0.44 0.87 -0.57 0.00 0.00 179.45 179.32 3h5u h LYS 51 N 0.75 0.61 -0.03 3.15 1.57 -0.36 -3.11 116.57 119.16 3h5u h LYS 51 Ca 0.20 -0.33 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3h5u h LYS 51 Cb -0.08 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.25 3h5u h LYS 51 CO -0.04 0.93 0.00 1.33 -0.57 0.00 0.00 179.45 181.10 3h5u n VAL 52 N -4.02 0.02 -3.72 0.50 0.24 -0.28 -4.78 118.33 106.30 3h5u n VAL 52 Ca -0.02 -0.15 -0.38 0.00 -2.04 0.00 0.00 64.34 61.74 3h5u n VAL 52 Cb 0.54 0.08 -0.12 0.00 -1.47 0.00 0.00 33.84 32.86 3h5u n VAL 52 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3h5u s THR 53 N -1.98 4.04 0.22 3.34 2.01 -1.17 -4.68 115.64 117.43 3h5u s THR 53 Ca 0.40 -0.88 -0.22 0.00 0.31 0.00 0.00 61.69 61.30 3h5u s THR 53 Cb 0.20 -3.20 0.04 0.00 0.01 0.00 0.00 72.50 69.56 3h5u s THR 53 CO 0.33 -0.08 0.76 0.72 -0.69 0.00 0.00 174.62 175.65 3h5u s PHE 54 N 1.48 -0.24 0.01 4.92 -0.12 -1.26 -4.97 117.98 117.79 3h5u s PHE 54 Ca 0.01 -0.13 -0.20 0.00 -0.05 0.00 0.00 56.93 56.56 3h5u s PHE 54 Cb -0.18 0.66 -0.06 0.00 -0.63 0.00 0.00 43.02 42.81 3h5u s PHE 54 CO 0.04 -1.06 0.59 0.34 -0.05 0.00 0.00 175.22 175.07 3h5u s ASP 55 N -2.88 6.99 -0.18 1.98 2.15 -1.26 -1.10 116.67 122.37 3h5u s ASP 55 Ca 0.09 1.17 -0.03 0.00 0.43 0.00 0.00 52.55 54.22 3h5u s ASP 55 Cb -0.04 -2.36 -0.01 0.00 -0.30 0.00 0.00 42.92 40.21 3h5u s ASP 55 CO 0.02 0.13 -0.07 -0.13 -0.17 0.00 0.00 175.17 174.95 3h5u s ARG 56 N -0.34 3.41 -0.06 4.34 3.00 -0.45 -4.97 118.95 123.89 3h5u s ARG 56 Ca 0.31 -0.63 0.03 0.00 0.00 0.00 0.00 55.73 55.43 3h5u s ARG 56 Cb -0.18 -2.88 -0.02 0.00 0.00 0.00 0.00 34.95 31.87 3h5u s ARG 56 CO 0.17 -0.02 -0.14 -0.51 0.00 0.00 0.00 175.30 174.81 3h5u s LEU 57 N 0.99 2.73 -0.09 2.53 2.01 -1.26 -4.65 118.68 120.93 3h5u s LEU 57 Ca -0.00 -0.22 0.02 0.00 0.01 0.00 0.00 54.13 53.94 3h5u s LEU 57 Cb -0.15 -1.56 0.01 0.00 0.01 0.00 0.00 46.19 44.50 3h5u s LEU 57 CO -0.00 0.32 -0.16 -1.10 1.01 0.00 0.00 176.35 176.42 3h5u s GLN 58 N -0.57 2.18 -0.25 1.70 -0.21 -1.26 -4.23 119.66 117.02 3h5u s GLN 58 Ca 0.08 -0.56 -0.01 0.00 0.02 0.00 0.00 55.36 54.89 3h5u s GLN 58 Cb -0.11 -1.80 0.04 0.00 1.00 0.00 0.00 33.01 32.14 3h5u s GLN 58 CO 0.01 0.00 -0.07 0.08 -2.12 0.00 0.00 175.29 173.19 3h5u s VAL 59 N 0.79 2.69 -0.18 1.09 1.01 0.15 -5.02 120.40 120.92 3h5u s VAL 59 Ca -0.11 -1.19 -0.05 0.00 0.00 0.00 0.00 61.98 60.63 3h5u s VAL 59 Cb -0.16 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.78 3h5u s VAL 59 CO 0.02 0.14 -0.01 -0.76 0.00 0.00 0.00 175.10 174.49 3h5u s LEU 60 N 1.27 3.29 0.00 3.92 1.43 -1.26 -4.32 118.68 123.01 3h5u s LEU 60 Ca -0.02 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 52.92 3h5u s LEU 60 Cb -0.17 -1.82 0.00 0.00 0.03 0.00 0.00 46.19 44.23 3h5u s LEU 60 CO -0.05 0.11 0.00 -0.90 0.23 0.00 0.00 176.35 175.74 3h5u n ASP 61 N 3.94 1.60 0.04 2.29 5.68 -1.26 -5.00 116.55 123.85 3h5u n ASP 61 Ca -0.17 -0.81 -0.12 0.00 -0.50 0.00 0.00 54.79 53.19 3h5u n ASP 61 Cb 0.52 0.00 -0.01 0.00 -1.14 0.00 0.00 41.12 40.49 3h5u n ASP 61 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3h5u h ASP 62 N 0.00 0.57 -0.58 -1.12 3.32 -1.99 -2.48 116.42 114.14 3h5u h ASP 62 Ca 0.00 -0.39 0.12 0.00 0.02 0.00 0.00 57.03 56.78 3h5u h ASP 62 Cb 0.00 -0.17 -0.10 0.00 0.22 0.00 0.00 39.33 39.28 3h5u h ASP 62 CO 0.00 1.16 -0.04 0.45 -1.72 0.00 0.00 179.24 179.09 3h5u h HIS 63 N 0.30 -0.12 0.03 4.55 3.86 -1.97 0.76 115.15 122.57 3h5u h HIS 63 Ca -0.05 0.05 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3h5u h HIS 63 Cb 1.40 0.14 0.00 0.00 1.06 0.00 0.00 27.41 30.01 3h5u h HIS 63 CO 0.05 -0.18 -0.02 -0.92 0.86 0.00 0.00 177.93 177.73 3h5u h TYR 64 N 0.08 -0.04 -0.19 2.45 5.03 -1.81 -1.37 116.97 121.12 3h5u h TYR 64 Ca 0.30 -0.00 -0.13 0.00 2.58 0.00 0.00 58.73 61.48 3h5u h TYR 64 Cb 0.47 0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.75 3h5u h TYR 64 CO -0.39 -0.00 -0.42 0.00 -1.32 0.00 0.00 178.16 176.03 3h5u h ARG 65 N -0.07 0.46 0.17 1.82 3.08 -1.24 -1.68 114.38 116.91 3h5u h ARG 65 Ca -0.00 -0.23 0.01 0.00 0.07 0.00 0.00 59.98 59.82 3h5u h ARG 65 Cb 0.06 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3h5u h ARG 65 CO 0.01 0.80 -0.20 -0.44 -1.07 0.00 0.00 179.97 179.07 3h5u h ASP 66 N 0.37 -0.54 -0.49 7.04 3.32 -0.68 0.17 116.42 125.62 3h5u h ASP 66 Ca 0.03 0.05 0.01 0.00 0.02 0.00 0.00 57.03 57.15 3h5u h ASP 66 Cb 0.90 0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.61 3h5u h ASP 66 CO 0.08 -0.29 0.31 0.58 -1.72 0.00 0.00 179.24 178.20 3h5u h VAL 67 N -0.41 1.09 -0.18 -1.35 2.07 -1.15 -2.09 116.25 114.23 3h5u h VAL 67 Ca 0.01 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.31 3h5u h VAL 67 Cb 0.40 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 3h5u h VAL 67 CO -0.07 0.12 0.12 0.25 0.02 0.00 0.00 177.57 178.00 3h5u h LEU 68 N 0.63 0.21 -0.75 2.57 5.85 -1.13 0.17 115.31 122.88 3h5u h LEU 68 Ca 0.19 -0.03 0.13 0.00 0.84 0.00 0.00 57.88 59.02 3h5u h LEU 68 Cb -0.03 -0.05 -0.09 0.00 0.37 0.00 0.00 40.66 40.85 3h5u h LEU 68 CO -0.06 0.18 0.31 0.50 -0.34 0.00 0.00 178.44 179.03 3h5u h LYS 69 N 0.23 0.46 -0.50 1.25 3.64 -0.76 0.79 116.57 121.68 3h5u h LYS 69 Ca 0.07 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.40 3h5u h LYS 69 Cb -0.00 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 3h5u h LYS 69 CO -0.01 0.30 0.25 0.93 -2.27 0.00 0.00 179.45 178.65 3h5u h GLU 70 N 0.47 0.71 -0.74 1.90 5.08 -0.52 -0.98 114.58 120.51 3h5u h GLU 70 Ca 0.40 -0.10 0.02 0.00 -1.00 0.00 0.00 59.36 58.69 3h5u h GLU 70 Cb 0.58 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 3h5u h GLU 70 CO -0.38 0.58 0.48 0.52 -1.00 0.00 0.00 179.01 179.21 3h5u h MET 71 N 0.66 0.92 -0.23 2.33 2.86 -0.01 -2.77 114.93 118.69 3h5u h MET 71 Ca 0.17 -0.06 -0.10 0.00 -2.06 0.00 0.00 59.70 57.66 3h5u h MET 71 Cb 0.09 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 3h5u h MET 71 CO -0.02 0.61 -0.29 0.87 1.06 0.00 0.00 176.91 179.14 3h5u h LYS 72 N 0.95 0.46 -0.53 1.72 1.57 -0.49 -1.45 116.57 118.80 3h5u h LYS 72 Ca 0.28 -0.19 0.03 0.00 -1.87 0.00 0.00 60.65 58.90 3h5u h LYS 72 Cb -0.05 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 3h5u h LYS 72 CO -0.08 0.71 0.32 0.00 -0.57 0.00 0.00 179.45 179.82 3h5u h ALA 73 N 1.29 0.69 -0.35 3.86 0.00 -0.93 -1.04 119.26 122.78 3h5u h ALA 73 Ca 0.05 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3h5u h ALA 73 Cb 0.71 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3h5u h ALA 73 CO 0.05 0.03 0.08 0.87 0.00 0.00 0.00 179.25 180.28 3h5u h LYS 74 N 0.63 0.56 -0.52 0.00 1.57 -1.23 -2.94 116.57 114.63 3h5u h LYS 74 Ca 0.22 -0.14 0.08 0.00 -1.87 0.00 0.00 60.65 58.94 3h5u h LYS 74 Cb 0.03 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 3h5u h LYS 74 CO -0.10 0.61 0.35 0.00 -0.57 0.00 0.00 179.45 179.74 3h5u h ALA 75 N 0.92 1.97 0.00 3.86 0.00 -1.04 -1.95 119.26 123.02 3h5u h ALA 75 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3h5u h ALA 75 Cb 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3h5u h ALA 75 CO 0.00 -0.07 0.00 0.77 0.00 0.00 0.00 179.25 179.95 3h5u h SER 76 N 0.40 0.00 0.94 0.00 0.02 -1.00 -1.22 113.55 112.70 3h5u h SER 76 Ca 0.23 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 3h5u h SER 76 Cb 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 3h5u h SER 76 CO -0.06 0.00 -0.20 0.35 -1.14 0.00 0.00 176.83 175.78 3h5u n THR 77 N -2.69 0.15 -2.78 -2.27 -2.24 -0.73 -4.63 114.28 99.08 3h5u n THR 77 Ca -0.00 -0.08 -0.41 0.00 -2.27 0.00 0.00 64.05 61.28 3h5u n THR 77 Cb 0.17 -0.28 -0.04 0.00 -2.10 0.00 0.00 70.33 68.08 3h5u n THR 77 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3h5u s VAL 78 N -3.04 4.67 -0.11 2.28 1.01 -0.46 -4.96 120.40 119.79 3h5u s VAL 78 Ca 0.12 1.96 0.01 0.00 0.00 0.00 0.00 61.98 64.07 3h5u s VAL 78 Cb 0.17 -4.27 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 3h5u s VAL 78 CO 0.61 0.28 -0.13 -0.75 0.00 0.00 0.00 175.10 175.10 3h5u s LYS 79 N 0.30 3.19 0.01 2.72 2.20 -1.26 -1.06 119.74 125.84 3h5u s LYS 79 Ca 0.46 -0.69 0.03 0.00 -0.36 0.00 0.00 55.97 55.42 3h5u s LYS 79 Cb -0.22 -2.57 -0.01 0.00 -1.51 0.00 0.00 37.83 33.52 3h5u s LYS 79 CO 0.28 0.31 -0.11 0.00 -0.36 0.00 0.00 175.35 175.46 3h5u s ALA 80 N 0.11 0.88 0.36 3.13 0.00 -0.58 -4.95 121.76 120.71 3h5u s ALA 80 Ca -0.06 -0.56 0.08 0.00 0.00 0.00 0.00 51.96 51.41 3h5u s ALA 80 Cb -0.15 -0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 3h5u s ALA 80 CO 0.05 0.18 0.26 -1.59 0.00 0.00 0.00 175.76 174.66 3h5u s LYS 81 N -0.60 2.56 -0.00 0.00 -2.85 -1.26 -4.45 119.74 113.13 3h5u s LYS 81 Ca 0.02 -1.44 -0.19 0.00 -1.00 0.00 0.00 55.97 53.36 3h5u s LYS 81 Cb -0.05 -2.34 -0.06 0.00 -2.06 0.00 0.00 37.83 33.32 3h5u s LYS 81 CO 0.00 0.04 0.53 -1.17 0.10 0.00 0.00 175.35 174.85 3h5u s LEU 82 N -3.97 4.43 0.44 2.77 2.96 -1.26 -4.52 118.68 119.53 3h5u s LEU 82 Ca 0.41 1.09 -0.20 0.00 -0.22 0.00 0.00 54.13 55.22 3h5u s LEU 82 Cb -0.04 -2.81 -0.10 0.00 0.50 0.00 0.00 46.19 43.74 3h5u s LEU 82 CO 0.25 0.17 0.95 -0.76 -1.32 0.00 0.00 176.35 175.65 3h5u s LEU 83 N -0.47 3.88 0.82 -0.68 1.02 -0.69 -5.06 118.68 117.51 3h5u s LEU 83 Ca 0.28 1.65 -0.11 0.00 0.02 0.00 0.00 54.13 55.97 3h5u s LEU 83 Cb -0.18 -4.51 0.08 0.00 0.02 0.00 0.00 46.19 41.60 3h5u s LEU 83 CO 0.16 -0.40 1.09 -0.94 0.02 0.00 0.00 176.35 176.28 3h5u s SER 84 N -2.36 4.25 0.20 2.29 1.04 -1.26 -4.75 113.70 113.12 3h5u s SER 84 Ca 0.61 1.39 -0.10 0.00 0.48 0.00 0.00 55.95 58.33 3h5u s SER 84 Cb -0.09 -2.11 0.25 0.00 0.10 0.00 0.00 66.02 64.17 3h5u s SER 84 CO 0.17 -2.13 1.76 0.58 0.98 0.00 0.00 173.24 174.59 3h5u h VAL 85 N -1.20 0.83 -0.47 5.02 2.07 -1.98 -1.93 116.25 118.59 3h5u h VAL 85 Ca -0.47 -0.16 -0.11 0.00 0.82 0.00 0.00 66.70 66.78 3h5u h VAL 85 Cb 1.27 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 3h5u h VAL 85 CO 0.58 0.09 -0.14 1.05 0.02 0.00 0.00 177.57 179.16 3h5u h GLU 86 N 0.47 0.89 0.05 1.57 9.09 -1.98 0.22 114.58 124.89 3h5u h GLU 86 Ca 0.29 -0.33 -0.00 0.00 0.05 0.00 0.00 59.36 59.38 3h5u h GLU 86 Cb 0.32 -0.06 0.00 0.00 -1.65 0.00 0.00 28.75 27.36 3h5u h GLU 86 CO -0.26 0.97 -0.02 0.93 0.05 0.00 0.00 179.01 180.68 3h5u h GLU 87 N 0.79 -0.06 -0.36 1.06 5.08 -1.88 -1.91 114.58 117.31 3h5u h GLU 87 Ca 0.12 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.53 3h5u h GLU 87 Cb 0.66 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.88 3h5u h GLU 87 CO 0.05 0.00 0.10 0.00 -1.00 0.00 0.00 179.01 178.16 3h5u h ALA 88 N 0.84 0.40 -1.00 3.43 0.00 -1.10 -2.18 119.26 119.65 3h5u h ALA 88 Ca -0.01 0.05 0.13 0.00 0.00 0.00 0.00 54.91 55.09 3h5u h ALA 88 Cb 0.09 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.84 3h5u h ALA 88 CO 0.01 -0.30 0.63 0.00 0.00 0.00 0.00 179.25 179.59 3h5u n LYS 90 N -4.64 0.21 0.00 0.00 4.76 -0.73 -1.98 118.16 115.78 3h5u n LYS 90 Ca 0.20 0.27 0.15 0.00 -2.87 0.00 0.00 58.31 56.05 3h5u n LYS 90 Cb 0.39 -1.80 0.71 0.00 -1.84 0.00 0.00 35.03 32.49 3h5u n LYS 90 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3h5u n LEU 91 N -2.18 0.54 -4.71 -0.35 4.77 -0.75 -4.86 117.00 109.46 3h5u n LEU 91 Ca 0.04 -0.11 -0.40 0.00 -0.03 0.00 0.00 56.01 55.51 3h5u n LEU 91 Cb 0.35 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.32 3h5u n LEU 91 CO 0.26 0.09 0.48 -0.89 -1.33 0.00 0.00 177.39 176.00 3h5u s THR 92 N -2.20 4.99 0.28 -5.08 2.01 -0.84 -0.42 115.64 114.39 3h5u s THR 92 Ca 0.38 1.58 -0.30 0.00 0.31 0.00 0.00 61.69 63.65 3h5u s THR 92 Cb 0.21 -4.10 -0.12 0.00 0.01 0.00 0.00 72.50 68.50 3h5u s THR 92 CO 0.41 0.20 1.55 -2.65 -0.69 0.00 0.00 174.62 173.44 3h5u n PRO 93 N 4.00 2.56 -0.32 4.92 -0.02 -1.26 -4.80 135.00 140.09 3h5u n PRO 93 Ca 0.01 0.91 0.24 0.00 -2.02 0.00 0.00 63.50 62.63 3h5u n PRO 93 Cb 0.51 -2.66 0.53 0.00 -0.02 0.00 0.00 33.50 31.86 3h5u n PRO 93 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3h5u h PRO 94 N 4.60 0.34 -0.55 0.52 0.11 -1.95 -2.05 132.00 133.02 3h5u h PRO 94 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3h5u h PRO 94 Cb 1.24 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3h5u h PRO 94 CO 0.78 0.23 0.00 0.72 -0.21 0.00 0.00 178.00 179.52 3h5u n HIS 95 N -4.58 1.03 -1.32 0.65 8.25 -1.26 -4.08 115.22 113.92 3h5u n HIS 95 Ca 0.25 -0.58 -0.37 0.00 -0.26 0.00 0.00 57.72 56.76 3h5u n HIS 95 Cb 0.90 -0.14 0.06 0.00 1.12 0.00 0.00 29.99 31.94 3h5u n HIS 95 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3h5u n SER 96 N 0.91 -0.96 -4.73 0.41 2.88 -0.77 -4.88 113.62 106.48 3h5u n SER 96 Ca 0.21 0.63 -0.42 0.00 -1.33 0.00 0.00 58.87 57.96 3h5u n SER 96 Cb 0.70 -1.23 -0.02 0.00 -0.75 0.00 0.00 64.21 62.91 3h5u n SER 96 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3h5u n ALA 97 N -2.25 2.28 -1.29 -1.46 0.00 -1.26 -4.36 120.51 112.17 3h5u n ALA 97 Ca 0.11 0.38 -0.32 0.00 0.00 0.00 0.00 53.44 53.61 3h5u n ALA 97 Cb 0.49 -2.43 0.09 0.00 0.00 0.00 0.00 19.45 17.60 3h5u n ALA 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 3h5u s LYS 98 N -0.30 2.27 0.42 0.00 -2.85 -1.26 -4.59 119.74 113.43 3h5u s LYS 98 Ca 0.66 1.39 -0.24 0.00 -1.00 0.00 0.00 55.97 56.78 3h5u s LYS 98 Cb -0.53 -1.88 -0.08 0.00 -2.06 0.00 0.00 37.83 33.28 3h5u s LYS 98 CO 0.47 -1.67 1.16 0.45 0.10 0.00 0.00 175.35 175.86 3h5u s SER 99 N -2.79 6.42 0.61 0.03 0.15 0.17 -4.62 113.70 113.69 3h5u s SER 99 Ca 0.66 2.30 0.38 0.00 0.70 0.00 0.00 55.95 60.00 3h5u s SER 99 Cb -0.21 -2.61 2.09 0.00 -1.71 0.00 0.00 66.02 63.59 3h5u s SER 99 CO 0.49 -0.74 2.18 0.11 1.20 0.00 0.00 173.24 176.48 3h5u h LYS 100 N 2.41 0.00 -0.89 5.44 1.57 -1.94 -3.19 116.57 119.97 3h5u h LYS 100 Ca -0.49 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 57.86 3h5u h LYS 100 Cb 1.24 0.00 -0.26 0.00 0.08 0.00 0.00 32.23 33.29 3h5u h LYS 100 CO 0.62 0.00 0.51 1.19 -0.57 0.00 0.00 179.45 181.20 3h5u n PHE 101 N -2.91 2.76 -2.22 -1.35 3.72 -1.26 -4.93 117.46 111.26 3h5u n PHE 101 Ca -0.03 -1.70 -0.01 0.00 -0.05 0.00 0.00 57.45 55.66 3h5u n PHE 101 Cb 0.13 -0.85 0.00 0.00 -0.94 0.00 0.00 39.48 37.81 3h5u n PHE 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3h5u n GLY 102 N -0.97 0.58 3.28 1.37 0.00 -1.20 -5.06 105.19 103.18 3h5u n GLY 102 Ca 0.54 -0.78 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 3h5u n GLY 102 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3h5u s TYR 103 N -2.43 0.34 0.22 1.61 1.13 -1.26 -4.99 117.35 111.97 3h5u s TYR 103 Ca 0.01 -0.73 0.01 0.00 -1.41 0.00 0.00 57.07 54.95 3h5u s TYR 103 Cb -0.00 -0.09 -0.00 0.00 -1.10 0.00 0.00 41.96 40.77 3h5u s TYR 103 CO 0.01 -0.64 0.02 0.41 -2.51 0.00 0.00 175.55 172.84 3h5u n GLY 104 N -0.15 3.84 0.32 5.49 0.00 -1.26 -0.65 105.19 112.78 3h5u n GLY 104 Ca -0.10 -2.20 -0.03 0.00 0.00 0.00 0.00 46.02 43.69 3h5u n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h5u h ALA 105 N 1.18 1.06 -0.02 4.61 0.00 -1.82 -1.62 119.26 122.65 3h5u h ALA 105 Ca -0.18 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.57 3h5u h ALA 105 Cb 0.58 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 3h5u h ALA 105 CO 0.30 0.41 -0.50 0.87 0.00 0.00 0.00 179.25 180.32 3h5u h LYS 106 N 1.08 0.06 -0.44 0.00 1.57 -1.87 0.14 116.57 117.12 3h5u h LYS 106 Ca 0.31 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 59.00 3h5u h LYS 106 Cb -0.07 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 3h5u h LYS 106 CO -0.09 0.55 0.03 -0.44 -0.57 0.00 0.00 179.45 178.94 3h5u h ASP 107 N 0.05 0.73 -0.09 0.86 3.32 -1.90 -1.25 116.42 118.14 3h5u h ASP 107 Ca -0.00 -0.29 0.01 0.00 0.02 0.00 0.00 57.03 56.77 3h5u h ASP 107 Cb 0.91 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 3h5u h ASP 107 CO 0.07 0.83 0.03 0.58 -1.72 0.00 0.00 179.24 179.03 3h5u h VAL 108 N 0.60 0.98 -0.10 -1.35 2.07 -0.63 -0.31 116.25 117.50 3h5u h VAL 108 Ca 0.13 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.61 3h5u h VAL 108 Cb 0.44 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 3h5u h VAL 108 CO 0.02 0.01 0.00 0.03 0.02 0.00 0.00 177.57 177.65 3h5u h ARG 109 N 0.07 0.14 -0.16 1.57 3.08 -0.70 -2.01 114.38 116.38 3h5u h ARG 109 Ca 0.04 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3h5u h ARG 109 Cb 0.02 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3h5u h ARG 109 CO -0.04 0.16 0.00 0.09 -1.07 0.00 0.00 179.97 179.11 3h5u n ASN 110 N -4.45 1.61 -2.89 7.04 3.02 -0.48 -4.81 115.26 114.30 3h5u n ASN 110 Ca -0.01 -1.70 -0.22 0.00 -0.03 0.00 0.00 54.58 52.62 3h5u n ASN 110 Cb 0.14 -0.10 0.02 0.00 -0.61 0.00 0.00 39.78 39.23 3h5u n ASN 110 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3h5u n LEU 111 N 0.28 -2.46 -4.72 3.41 4.77 -0.76 -4.91 117.00 112.61 3h5u n LEU 111 Ca 0.16 -0.23 -0.43 0.00 -0.03 0.00 0.00 56.01 55.49 3h5u n LEU 111 Cb 0.32 -2.93 -0.02 0.00 -2.33 0.00 0.00 43.42 38.46 3h5u n LEU 111 CO 0.13 0.13 1.22 -1.54 -1.33 0.00 0.00 177.39 175.99 3h5u n SER 112 N -2.40 3.64 -0.02 -1.43 3.41 -0.17 -4.79 113.62 111.86 3h5u n SER 112 Ca -0.14 1.13 0.11 0.00 -0.26 0.00 0.00 58.87 59.71 3h5u n SER 112 Cb 0.63 -1.55 0.52 0.00 -0.26 0.00 0.00 64.21 63.55 3h5u n SER 112 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3h5u h SER 113 N 5.02 0.31 -0.13 4.04 4.64 -1.91 -1.53 113.55 123.99 3h5u h SER 113 Ca -0.46 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.85 3h5u h SER 113 Cb 1.23 -0.06 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 3h5u h SER 113 CO 0.81 0.20 0.03 0.50 -0.87 0.00 0.00 176.83 177.50 3h5u h LYS 114 N 0.35 0.21 -0.09 4.77 3.64 -1.96 0.12 116.57 123.60 3h5u h LYS 114 Ca 0.22 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.58 3h5u h LYS 114 Cb 0.41 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.15 3h5u h LYS 114 CO -0.05 0.39 -0.23 0.00 -2.27 0.00 0.00 179.45 177.29 3h5u h ALA 115 N 0.81 -0.23 -0.27 5.00 0.00 -1.68 -1.68 119.26 121.22 3h5u h ALA 115 Ca 0.04 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 3h5u h ALA 115 Cb 0.28 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 3h5u h ALA 115 CO 0.00 -0.70 -0.38 0.28 0.00 0.00 0.00 179.25 178.45 3h5u h VAL 116 N -0.31 1.29 -0.91 0.00 2.07 -1.20 -0.79 116.25 116.40 3h5u h VAL 116 Ca 0.09 -1.54 -0.01 0.00 0.82 0.00 0.00 66.70 66.05 3h5u h VAL 116 Cb 0.44 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.66 3h5u h VAL 116 CO -0.27 0.49 0.51 0.78 0.02 0.00 0.00 177.57 179.10 3h5u h ASN 117 N 0.52 1.13 -0.36 0.57 2.35 -0.72 -1.19 115.58 117.89 3h5u h ASN 117 Ca 0.05 -0.09 -0.10 0.00 -0.55 0.00 0.00 56.30 55.61 3h5u h ASN 117 Cb 0.90 -0.29 -0.01 0.00 0.05 0.00 0.00 38.32 38.97 3h5u h ASN 117 CO 0.08 0.90 -0.16 -0.74 -1.65 0.00 0.00 177.43 175.86 3h5u h HIS 118 N 1.27 0.84 -0.29 1.19 2.76 -0.50 -2.60 115.15 117.83 3h5u h HIS 118 Ca 0.32 -0.20 -0.00 0.00 -2.20 0.00 0.00 60.37 58.29 3h5u h HIS 118 Cb 0.01 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 28.76 3h5u h HIS 118 CO 0.01 0.92 0.18 0.82 -1.30 0.00 0.00 177.93 178.56 3h5u h ILE 119 N 0.52 1.10 -0.77 6.26 2.04 -1.03 0.33 117.51 125.96 3h5u h ILE 119 Ca 0.08 -0.23 0.08 0.00 1.00 0.00 0.00 64.86 65.80 3h5u h ILE 119 Cb 0.69 0.73 -0.07 0.00 -0.74 0.00 0.00 36.82 37.43 3h5u h ILE 119 CO 0.05 0.10 0.44 0.45 0.00 0.00 0.00 178.15 179.18 3h5u h HIS 120 N 0.37 0.79 -0.22 1.37 3.86 -1.23 -1.37 115.15 118.72 3h5u h HIS 120 Ca 0.10 0.03 -0.09 0.00 -1.16 0.00 0.00 60.37 59.25 3h5u h HIS 120 Cb 0.00 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.22 3h5u h HIS 120 CO -0.05 0.35 -0.26 0.66 0.86 0.00 0.00 177.93 179.49 3h5u h SER 121 N 0.76 0.43 -0.32 2.45 4.64 -0.98 -1.09 113.55 119.44 3h5u h SER 121 Ca 0.36 -0.14 -0.16 0.00 -0.47 0.00 0.00 61.79 61.38 3h5u h SER 121 Cb 0.29 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 3h5u h SER 121 CO -0.22 0.69 -0.39 0.58 -0.87 0.00 0.00 176.83 176.62 3h5u h VAL 122 N 0.38 1.28 0.37 0.95 2.07 -0.32 -2.80 116.25 118.17 3h5u h VAL 122 Ca 0.06 -1.56 -0.02 0.00 0.82 0.00 0.00 66.70 65.99 3h5u h VAL 122 Cb 0.66 1.41 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 3h5u h VAL 122 CO 0.05 0.52 -0.18 -0.25 0.02 0.00 0.00 177.57 177.73 3h5u h TRP 123 N 0.71 -0.46 -1.00 1.57 2.91 -1.02 -0.71 115.95 117.95 3h5u h TRP 123 Ca 0.06 -0.01 0.23 0.00 1.13 0.00 0.00 58.89 60.30 3h5u h TRP 123 Cb 0.97 0.15 -0.10 0.00 -0.51 0.00 0.00 29.16 29.67 3h5u h TRP 123 CO 0.06 -0.19 0.63 -0.22 -1.03 0.00 0.00 178.44 177.69 3h5u h LYS 124 N -0.65 0.50 -0.06 2.65 3.64 -1.26 -0.41 116.57 120.99 3h5u h LYS 124 Ca -0.05 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.12 3h5u h LYS 124 Cb 0.47 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.17 3h5u h LYS 124 CO 0.08 0.33 -0.72 0.22 -2.27 0.00 0.00 179.45 177.10 3h5u h ASP 125 N 0.52 0.37 -0.51 4.20 3.58 -1.19 -2.50 116.42 120.89 3h5u h ASP 125 Ca 0.57 -0.25 -0.01 0.00 0.42 0.00 0.00 57.03 57.77 3h5u h ASP 125 Cb 1.24 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 42.16 3h5u h ASP 125 CO -0.31 0.97 0.29 -0.07 -2.88 0.00 0.00 179.24 177.24 3h5u h LEU 126 N 0.21 0.65 -0.28 2.28 3.38 0.45 -1.29 115.31 120.71 3h5u h LEU 126 Ca -0.03 -0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.71 3h5u h LEU 126 Cb 1.28 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 3h5u h LEU 126 CO 0.12 0.53 -0.88 -0.07 0.09 0.00 0.00 178.44 178.23 3h5u h LEU 127 N 0.74 0.22 0.08 1.67 3.38 -1.08 -3.35 115.31 116.98 3h5u h LEU 127 Ca 0.19 -0.18 -0.33 0.00 0.09 0.00 0.00 57.88 57.65 3h5u h LEU 127 Cb 0.02 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 3h5u h LEU 127 CO -0.03 0.99 -1.79 -0.33 0.09 0.00 0.00 178.44 177.37 3h5u h GLU 128 N 0.09 0.17 -5.15 1.13 5.08 -1.40 -3.46 114.58 111.05 3h5u h GLU 128 Ca -0.04 -0.30 -0.67 0.00 -1.00 0.00 0.00 59.36 57.35 3h5u h GLU 128 Cb 1.51 0.11 -0.34 0.00 0.50 0.00 0.00 28.75 30.53 3h5u h GLU 128 CO 0.13 0.95 -0.86 0.34 -1.00 0.00 0.00 179.01 178.57 3h5u s ASP 129 N -6.71 3.18 -0.08 1.42 -1.08 -0.49 -4.99 116.67 107.91 3h5u s ASP 129 Ca -0.13 -0.61 0.12 0.00 -0.52 0.00 0.00 52.55 51.41 3h5u s ASP 129 Cb 0.07 -1.47 0.19 0.00 -1.46 0.00 0.00 42.92 40.25 3h5u s ASP 129 CO 0.81 0.05 1.08 0.35 0.52 0.00 0.00 175.17 177.98 3h5u n THR 130 N 4.27 1.46 0.00 1.71 -2.24 -1.26 -4.49 114.28 113.73 3h5u n THR 130 Ca -0.20 -1.70 0.00 0.00 -2.27 0.00 0.00 64.05 59.87 3h5u n THR 130 Cb 0.51 0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.78 3h5u n THR 130 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3h5u n VAL 131 N -1.05 0.00 -2.01 2.28 0.31 -1.26 -4.57 118.33 112.04 3h5u n VAL 131 Ca 0.10 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.01 3h5u n VAL 131 Cb 0.55 -0.54 -0.03 0.00 -0.91 0.00 0.00 33.84 32.91 3h5u n VAL 131 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3h5u s THR 132 N -1.81 3.57 0.61 2.52 2.01 -1.26 -4.73 115.64 116.54 3h5u s THR 132 Ca 0.00 0.67 -0.18 0.00 0.31 0.00 0.00 61.69 62.48 3h5u s THR 132 Cb 0.00 -3.49 -0.04 0.00 0.01 0.00 0.00 72.50 68.98 3h5u s THR 132 CO 0.00 -0.13 1.00 -2.65 -0.69 0.00 0.00 174.62 172.16 3h5u n PRO 133 N 7.39 0.93 -3.94 4.92 -0.02 -1.26 -4.69 135.00 138.32 3h5u n PRO 133 Ca 0.18 0.36 -0.36 0.00 -2.02 0.00 0.00 63.50 61.66 3h5u n PRO 133 Cb 0.44 -2.21 -0.07 0.00 -0.02 0.00 0.00 33.50 31.63 3h5u n PRO 133 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3h5u s ILE 134 N -1.50 5.27 0.34 4.25 1.01 0.12 -4.97 121.20 125.72 3h5u s ILE 134 Ca 0.77 0.12 -0.28 0.00 0.00 0.00 0.00 60.65 61.26 3h5u s ILE 134 Cb -0.41 -3.31 -0.10 0.00 0.01 0.00 0.00 42.46 38.65 3h5u s ILE 134 CO 0.46 0.58 1.24 -0.62 0.00 0.00 0.00 174.94 176.61 3h5u s ASP 135 N -0.70 6.76 0.15 3.58 2.15 -1.26 -4.26 116.67 123.09 3h5u s ASP 135 Ca 0.13 2.55 0.08 0.00 0.43 0.00 0.00 52.55 55.74 3h5u s ASP 135 Cb -0.12 -2.64 -0.04 0.00 -0.30 0.00 0.00 42.92 39.82 3h5u s ASP 135 CO 0.03 -0.53 -0.18 0.42 -0.17 0.00 0.00 175.17 174.74 3h5u s THR 136 N -1.21 1.73 -0.06 1.71 -4.23 -1.11 -4.31 115.64 108.16 3h5u s THR 136 Ca 0.50 -1.81 -0.13 0.00 -1.18 0.00 0.00 61.69 59.08 3h5u s THR 136 Cb -0.37 -1.74 -0.05 0.00 1.34 0.00 0.00 72.50 71.69 3h5u s THR 136 CO 0.48 -0.27 0.33 -0.89 -0.54 0.00 0.00 174.62 173.72 3h5u s THR 137 N -1.86 5.20 -0.16 3.99 2.01 0.75 -0.61 115.64 124.97 3h5u s THR 137 Ca 0.13 0.64 -0.02 0.00 0.31 0.00 0.00 61.69 62.74 3h5u s THR 137 Cb -0.07 -3.63 -0.02 0.00 0.01 0.00 0.00 72.50 68.80 3h5u s THR 137 CO 0.06 0.54 -0.07 -0.51 -0.69 0.00 0.00 174.62 173.95 3h5u s ILE 138 N -0.69 3.53 0.10 1.82 2.07 0.13 -1.35 121.20 126.80 3h5u s ILE 138 Ca 0.20 -0.48 0.03 0.00 -1.41 0.00 0.00 60.65 58.99 3h5u s ILE 138 Cb -0.15 -2.54 -0.04 0.00 0.13 0.00 0.00 42.46 39.87 3h5u s ILE 138 CO 0.09 0.49 -0.09 -0.04 -1.91 0.00 0.00 174.94 173.49 3h5u s MET 139 N 0.52 0.82 -0.06 3.50 -1.94 -0.37 -4.43 119.30 117.34 3h5u s MET 139 Ca -0.05 -1.20 -0.22 0.00 -1.71 0.00 0.00 55.69 52.52 3h5u s MET 139 Cb -0.15 -0.40 -0.04 0.00 2.01 0.00 0.00 34.83 36.25 3h5u s MET 139 CO 0.03 0.04 0.63 0.00 -0.01 0.00 0.00 175.02 175.71 3h5u s ALA 140 N -2.79 3.40 0.28 3.03 0.00 -1.26 -1.00 121.76 123.41 3h5u s ALA 140 Ca 0.07 0.04 -0.29 0.00 0.00 0.00 0.00 51.96 51.78 3h5u s ALA 140 Cb -0.00 -2.84 -0.09 0.00 0.00 0.00 0.00 23.12 20.18 3h5u s ALA 140 CO -0.01 -0.02 1.04 0.15 0.00 0.00 0.00 175.76 176.91 3h5u s LYS 141 N 0.54 4.68 -0.40 0.00 1.02 0.21 -4.80 119.74 120.99 3h5u s LYS 141 Ca 0.33 1.66 -0.15 0.00 0.02 0.00 0.00 55.97 57.84 3h5u s LYS 141 Cb -0.17 -3.16 0.01 0.00 -0.52 0.00 0.00 37.83 33.99 3h5u s LYS 141 CO 0.16 0.29 0.29 -0.80 -0.92 0.00 0.00 175.35 174.37 3h5u s ASN 142 N -1.06 6.09 0.07 2.83 0.02 -1.26 -4.24 114.94 117.39 3h5u s ASN 142 Ca 0.44 -0.82 0.03 0.00 -1.02 0.00 0.00 52.86 51.50 3h5u s ASN 142 Cb -0.29 -2.15 -0.03 0.00 0.02 0.00 0.00 41.25 38.80 3h5u s ASN 142 CO 0.36 -0.41 -0.10 -1.61 0.02 0.00 0.00 177.10 175.36 3h5u s GLU 143 N 1.68 0.72 -0.08 -0.60 2.02 -1.26 -4.90 118.70 116.28 3h5u s GLU 143 Ca 0.05 -0.95 -0.12 0.00 0.02 0.00 0.00 54.97 53.97 3h5u s GLU 143 Cb -0.19 -0.52 -0.05 0.00 0.10 0.00 0.00 34.13 33.48 3h5u s GLU 143 CO 0.10 0.10 0.28 0.08 0.02 0.00 0.00 175.26 175.83 3h5u s VAL 144 N -1.73 5.27 0.32 2.63 1.01 -1.26 -1.39 120.40 125.25 3h5u s VAL 144 Ca -0.02 0.53 0.05 0.00 0.00 0.00 0.00 61.98 62.54 3h5u s VAL 144 Cb -0.07 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.70 3h5u s VAL 144 CO 0.01 0.55 0.22 -0.36 0.00 0.00 0.00 175.10 175.52 3h5u s PHE 145 N -0.71 1.65 0.02 5.22 0.08 0.12 -4.76 117.98 119.61 3h5u s PHE 145 Ca 0.19 -1.54 0.02 0.00 0.12 0.00 0.00 56.93 55.71 3h5u s PHE 145 Cb -0.14 -0.76 -0.04 0.00 -0.57 0.00 0.00 43.02 41.51 3h5u s PHE 145 CO 0.08 -0.73 0.01 0.00 -0.10 0.00 0.00 175.22 174.48 3h5u s VAL 147 N -1.14 2.89 0.00 0.00 -7.23 0.59 -4.99 120.40 110.51 3h5u s VAL 147 Ca 0.21 0.56 0.00 0.00 -1.81 0.00 0.00 61.98 60.94 3h5u s VAL 147 Cb -0.12 -3.23 0.00 0.00 0.56 0.00 0.00 36.38 33.60 3h5u s VAL 147 CO 0.12 -0.12 0.03 1.67 -0.31 0.00 0.00 175.10 176.49 3h5u n GLN 148 N -1.42 0.00 0.00 4.82 -0.06 -1.26 -5.07 117.38 114.39 3h5u n GLN 148 Ca 0.13 -0.03 0.00 0.00 -2.00 0.00 0.00 57.00 55.10 3h5u n GLN 148 Cb 0.50 -0.44 0.00 0.00 -4.06 0.00 0.00 30.24 26.24 3h5u n GLN 148 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3h5u n GLY 153 N 0.00 0.68 2.90 1.69 0.00 -1.26 -5.22 105.19 103.98 3h5u n GLY 153 Ca 0.00 -1.51 -0.13 0.00 0.00 0.00 0.00 46.02 44.38 3h5u n GLY 153 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3h5u s ARG 154 N -4.81 0.05 0.18 1.61 0.52 -1.26 -5.07 118.95 110.17 3h5u s ARG 154 Ca 0.00 0.13 -0.27 0.00 -0.52 0.00 0.00 55.73 55.07 3h5u s ARG 154 Cb 0.00 -0.04 -0.08 0.00 0.52 0.00 0.00 34.95 35.35 3h5u s ARG 154 CO 0.00 -0.05 0.82 0.15 0.02 0.00 0.00 175.30 176.24 3h5u s LYS 155 N 0.32 4.64 0.68 3.54 1.02 -1.26 -5.06 119.74 123.63 3h5u s LYS 155 Ca -0.02 1.24 -0.11 0.00 0.02 0.00 0.00 55.97 57.10 3h5u s LYS 155 Cb -0.04 -3.27 0.00 0.00 -0.52 0.00 0.00 37.83 34.01 3h5u s LYS 155 CO -0.01 0.55 1.06 -1.25 -0.92 0.00 0.00 175.35 174.78 3h5u s PRO 156 N -1.13 3.02 0.45 -1.68 0.04 -1.26 -4.84 135.00 129.60 3h5u s PRO 156 Ca 0.37 0.96 -0.24 0.00 0.04 0.00 0.00 61.00 62.13 3h5u s PRO 156 Cb -0.24 -2.00 -0.09 0.00 0.04 0.00 0.00 34.50 32.21 3h5u s PRO 156 CO 0.28 -1.04 1.19 0.00 0.04 0.00 0.00 177.00 177.47 3h5u n ALA 157 N -3.01 0.96 -1.95 8.56 0.00 -1.26 -4.97 120.51 118.84 3h5u n ALA 157 Ca 0.07 0.22 -0.31 0.00 0.00 0.00 0.00 53.44 53.43 3h5u n ALA 157 Cb 0.53 -2.22 -0.01 0.00 0.00 0.00 0.00 19.45 17.76 3h5u n ALA 157 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3h5u s ARG 158 N -2.27 3.70 0.03 0.00 0.52 -1.26 -4.67 118.95 114.99 3h5u s ARG 158 Ca 0.64 0.70 0.03 0.00 -0.52 0.00 0.00 55.73 56.57 3h5u s ARG 158 Cb -0.50 -2.17 -0.04 0.00 0.52 0.00 0.00 34.95 32.76 3h5u s ARG 158 CO 0.56 -0.39 -0.03 -0.51 0.02 0.00 0.00 175.30 174.95 3h5u s LEU 159 N -4.70 3.35 -0.11 2.53 1.02 -1.26 0.63 118.68 120.14 3h5u s LEU 159 Ca 0.55 -0.12 0.02 0.00 0.02 0.00 0.00 54.13 54.59 3h5u s LEU 159 Cb -0.11 -1.97 0.02 0.00 0.02 0.00 0.00 46.19 44.15 3h5u s LEU 159 CO 0.45 0.25 -0.14 -0.51 0.02 0.00 0.00 176.35 176.41 3h5u s ILE 160 N -1.11 1.44 -0.17 -0.59 1.10 -0.17 -4.88 121.20 116.81 3h5u s ILE 160 Ca 0.20 -0.61 -0.00 0.00 -0.51 0.00 0.00 60.65 59.73 3h5u s ILE 160 Cb -0.11 -1.32 0.00 0.00 0.15 0.00 0.00 42.46 41.18 3h5u s ILE 160 CO 0.11 0.43 -0.15 -0.69 -2.11 0.00 0.00 174.94 172.54 3h5u s VAL 161 N 1.01 2.61 -0.05 4.00 1.01 -1.26 -1.24 120.40 126.48 3h5u s VAL 161 Ca -0.06 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.06 3h5u s VAL 161 Cb -0.15 -2.12 0.02 0.00 0.00 0.00 0.00 36.38 34.13 3h5u s VAL 161 CO -0.02 0.50 0.21 0.72 0.00 0.00 0.00 175.10 176.52 3h5u s PHE 162 N 1.08 -0.15 0.88 5.22 -0.71 -0.46 -0.70 117.98 123.14 3h5u s PHE 162 Ca -0.00 0.34 -0.13 0.00 -1.04 0.00 0.00 56.93 56.09 3h5u s PHE 162 Cb -0.14 0.05 0.15 0.00 -1.21 0.00 0.00 43.02 41.86 3h5u s PHE 162 CO -0.04 -0.21 1.24 -1.25 -1.34 0.00 0.00 175.22 173.62 3h5u s PRO 163 N -0.55 1.23 0.80 1.99 0.04 -1.26 -0.18 135.00 137.07 3h5u s PRO 163 Ca -0.06 -0.26 -0.12 0.00 0.04 0.00 0.00 61.00 60.59 3h5u s PRO 163 Cb -0.04 -1.92 0.08 0.00 0.04 0.00 0.00 34.50 32.65 3h5u s PRO 163 CO 0.01 -2.02 1.15 0.34 0.04 0.00 0.00 177.00 176.52 3h5u s ASP 164 N -4.76 3.93 0.25 6.66 2.15 -1.26 -4.69 116.67 118.94 3h5u s ASP 164 Ca 0.69 2.13 -0.04 0.00 0.43 0.00 0.00 52.55 55.75 3h5u s ASP 164 Cb -0.07 -2.56 0.46 0.00 -0.30 0.00 0.00 42.92 40.45 3h5u s ASP 164 CO 0.51 -2.43 1.72 0.25 -0.17 0.00 0.00 175.17 175.05 3h5u h LEU 165 N -1.01 0.24 -0.73 -1.34 5.85 -1.81 -0.58 115.31 115.93 3h5u h LEU 165 Ca -0.45 0.11 0.09 0.00 0.84 0.00 0.00 57.88 58.47 3h5u h LEU 165 Cb 1.26 0.10 -0.07 0.00 0.37 0.00 0.00 40.66 42.33 3h5u h LEU 165 CO 0.48 0.08 0.39 1.23 -0.34 0.00 0.00 178.44 180.28 3h5u h GLY 166 N 0.42 1.11 1.06 3.75 0.00 -1.95 -1.47 103.07 105.98 3h5u h GLY 166 Ca 0.42 -0.25 -0.13 0.00 0.00 0.00 0.00 47.33 47.36 3h5u h GLY 166 CO -0.42 0.10 -0.28 -2.08 0.00 0.00 0.00 176.54 173.86 3h5u h VAL 167 N 0.67 1.28 -0.94 4.60 2.07 -1.50 -2.78 116.25 119.65 3h5u h VAL 167 Ca 0.35 -1.44 0.03 0.00 0.82 0.00 0.00 66.70 66.46 3h5u h VAL 167 Cb 0.33 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 31.41 3h5u h VAL 167 CO -0.25 0.48 0.61 0.03 0.02 0.00 0.00 177.57 178.47 3h5u h ARG 168 N 0.67 1.16 -0.42 1.57 3.08 -0.66 0.16 114.38 119.94 3h5u h ARG 168 Ca 0.07 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 3h5u h ARG 168 Cb 0.86 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 3h5u h ARG 168 CO 0.08 0.77 -0.04 0.28 -1.07 0.00 0.00 179.97 179.98 3h5u h VAL 169 N 1.19 1.24 -0.51 2.04 2.07 -1.20 -2.91 116.25 118.17 3h5u h VAL 169 Ca 0.37 -1.01 -0.10 0.00 0.82 0.00 0.00 66.70 66.78 3h5u h VAL 169 Cb -0.02 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 3h5u h VAL 169 CO -0.11 0.35 -0.07 0.00 0.02 0.00 0.00 177.57 177.76 3h5u h GLU 171 N 0.84 0.42 -0.21 0.00 5.08 -0.82 -1.62 114.58 118.26 3h5u h GLU 171 Ca 0.14 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3h5u h GLU 171 Cb 0.59 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 3h5u h GLU 171 CO 0.04 0.28 0.13 0.87 -1.00 0.00 0.00 179.01 179.33 3h5u h LYS 172 N 0.43 0.28 -0.62 2.33 1.57 -1.31 0.26 116.57 119.52 3h5u h LYS 172 Ca 0.27 -0.02 0.08 0.00 -1.87 0.00 0.00 60.65 59.11 3h5u h LYS 172 Cb 0.28 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.47 3h5u h LYS 172 CO -0.25 0.21 0.28 0.52 -0.57 0.00 0.00 179.45 179.64 3h5u h MET 173 N 0.27 0.48 -0.04 3.15 2.86 -0.88 -1.67 114.93 119.10 3h5u h MET 173 Ca 0.08 -0.03 -0.23 0.00 -2.06 0.00 0.00 59.70 57.46 3h5u h MET 173 Cb -0.00 -0.11 0.02 0.00 0.06 0.00 0.00 31.60 31.56 3h5u h MET 173 CO -0.02 0.32 -0.86 0.00 1.06 0.00 0.00 176.91 177.41 3h5u h ALA 174 N 1.38 0.16 0.00 6.32 0.00 -1.03 -1.82 119.26 124.27 3h5u h ALA 174 Ca 0.30 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3h5u h ALA 174 Cb 0.31 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3h5u h ALA 174 CO -0.26 0.59 0.00 1.28 0.00 0.00 0.00 179.25 180.87 3h5u n LEU 175 N -3.98 0.22 0.11 0.00 4.77 0.91 -4.75 117.00 114.28 3h5u n LEU 175 Ca -0.10 -0.39 -0.13 0.00 -0.03 0.00 0.00 56.01 55.36 3h5u n LEU 175 Cb 0.79 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.82 3h5u n LEU 175 CO 0.53 0.05 0.74 0.22 -1.33 0.00 0.00 177.39 177.60 3h5u h TYR 176 N 0.00 -0.50 -0.97 -1.77 3.20 -1.39 0.15 116.97 115.69 3h5u h TYR 176 Ca 0.00 0.01 0.07 0.00 3.14 0.00 0.00 58.73 61.94 3h5u h TYR 176 Cb 0.08 0.21 -0.07 0.00 1.54 0.00 0.00 36.73 38.49 3h5u h TYR 176 CO 0.00 -0.28 0.62 0.22 -1.64 0.00 0.00 178.16 177.08 3h5u h ASP 177 N -0.38 0.99 0.24 -2.11 3.58 -1.80 -1.77 116.42 115.17 3h5u h ASP 177 Ca 0.02 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 3h5u h ASP 177 Cb 0.39 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.24 3h5u h ASP 177 CO -0.09 0.63 -0.11 0.58 -2.88 0.00 0.00 179.24 177.36 3h5u h VAL 178 N 1.12 0.82 0.00 2.25 2.07 -1.75 -2.63 116.25 118.13 3h5u h VAL 178 Ca 0.42 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.58 3h5u h VAL 178 Cb 0.18 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.98 3h5u h VAL 178 CO -0.18 0.08 0.00 -0.37 0.02 0.00 0.00 177.57 177.13 3h5u h VAL 179 N -0.50 0.00 0.00 2.57 -1.51 -0.85 -0.01 116.25 115.95 3h5u h VAL 179 Ca -0.03 -0.49 -0.19 0.00 -1.23 0.00 0.00 66.70 64.75 3h5u h VAL 179 Cb 0.38 1.45 -0.03 0.00 -2.13 0.00 0.00 31.29 30.95 3h5u h VAL 179 CO 0.05 0.00 -1.00 0.28 -1.23 0.00 0.00 177.57 175.67 3h5u h SER 180 N 0.00 0.00 0.00 4.19 0.02 -1.31 -3.42 113.55 113.03 3h5u h SER 180 Ca 0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 3h5u h SER 180 Cb 0.52 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 3h5u h SER 180 CO 0.00 0.85 -1.55 0.41 -1.14 0.00 0.00 176.83 175.40 3h5u n THR 181 N -3.25 0.55 -0.22 -2.27 -1.04 -0.98 -4.61 114.28 102.46 3h5u n THR 181 Ca -0.02 -0.20 -0.06 0.00 -2.04 0.00 0.00 64.05 61.72 3h5u n THR 181 Cb 0.90 -0.99 0.04 0.00 -1.82 0.00 0.00 70.33 68.46 3h5u n THR 181 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3h5u h LEU 182 N -0.07 0.77 -1.23 -4.42 6.46 -1.23 -3.15 115.31 112.43 3h5u h LEU 182 Ca -0.22 -0.09 -0.04 0.00 -0.12 0.00 0.00 57.88 57.40 3h5u h LEU 182 Cb 1.31 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 41.03 3h5u h LEU 182 CO -0.06 0.64 0.06 -0.65 -0.62 0.00 0.00 178.44 177.81 3h5u h PRO 183 N 0.84 0.58 -0.03 5.25 0.11 -1.82 0.13 132.00 137.07 3h5u h PRO 183 Ca 0.22 -0.11 -0.17 0.00 0.11 0.00 0.00 66.00 66.05 3h5u h PRO 183 Cb 0.04 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.05 3h5u h PRO 183 CO -0.04 0.57 -0.73 0.37 -0.21 0.00 0.00 178.00 177.96 3h5u h GLN 184 N 0.57 0.21 -0.30 1.05 -0.00 -1.87 -1.23 115.11 113.53 3h5u h GLN 184 Ca 0.13 -0.18 -0.07 0.00 -0.00 0.00 0.00 58.65 58.53 3h5u h GLN 184 Cb 0.27 0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.78 3h5u h GLN 184 CO 0.00 0.84 -0.10 0.28 0.00 0.00 0.00 178.83 179.86 3h5u h VAL 185 N 0.14 1.29 -0.02 2.39 2.07 -1.37 0.32 116.25 121.06 3h5u h VAL 185 Ca -0.02 -1.16 -0.20 0.00 0.82 0.00 0.00 66.70 66.14 3h5u h VAL 185 Cb 1.28 1.41 -0.00 0.00 -1.52 0.00 0.00 31.29 32.46 3h5u h VAL 185 CO 0.11 0.37 -0.86 0.58 0.02 0.00 0.00 177.57 177.79 3h5u h VAL 186 N 0.36 1.43 -0.00 2.57 2.07 -0.96 -3.36 116.25 118.36 3h5u h VAL 186 Ca 0.07 -2.42 0.00 0.00 0.82 0.00 0.00 66.70 65.17 3h5u h VAL 186 Cb 0.60 2.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 3h5u h VAL 186 CO 0.03 0.72 -0.38 0.23 0.02 0.00 0.00 177.57 178.19 3h5u n MET 187 N -3.74 3.93 0.00 1.57 2.81 -0.47 -4.89 117.12 116.33 3h5u n MET 187 Ca -0.05 -0.06 0.00 0.00 -1.81 0.00 0.00 57.70 55.78 3h5u n MET 187 Cb 0.79 -0.92 0.00 0.00 -0.71 0.00 0.00 33.22 32.38 3h5u n MET 187 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3h5u n GLY 188 N 1.17 3.48 0.00 3.03 0.00 0.11 -1.66 105.19 111.32 3h5u n GLY 188 Ca 0.02 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.08 3h5u n GLY 188 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3h5u n SER 189 N 4.60 0.00 0.08 1.61 3.41 -1.26 -2.12 113.62 119.95 3h5u n SER 189 Ca 0.00 -0.07 0.12 0.00 -0.26 0.00 0.00 58.87 58.66 3h5u n SER 189 Cb 0.00 -0.25 0.24 0.00 -0.26 0.00 0.00 64.21 63.94 3h5u n SER 189 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3h5u h SER 190 N 0.00 0.00 -3.18 4.04 0.02 -1.52 -3.44 113.55 109.47 3h5u h SER 190 Ca 0.00 -0.12 -0.57 0.00 -0.84 0.00 0.00 61.79 60.26 3h5u h SER 190 Cb 0.16 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.65 3h5u h SER 190 CO 0.00 0.06 0.98 -0.47 -1.14 0.00 0.00 176.83 176.26 3h5u s TYR 191 N -3.15 2.67 0.19 3.45 5.04 -0.90 -1.13 117.35 123.52 3h5u s TYR 191 Ca 0.07 0.85 0.07 0.00 -2.44 0.00 0.00 57.07 55.62 3h5u s TYR 191 Cb 0.12 -3.96 0.06 0.00 0.35 0.00 0.00 41.96 38.53 3h5u s TYR 191 CO 0.68 -1.70 1.43 0.78 -1.34 0.00 0.00 175.55 175.40 3h5u h GLY 192 N 11.00 0.07 1.59 8.97 0.00 -1.50 -3.27 103.07 119.94 3h5u h GLY 192 Ca -0.26 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 46.94 3h5u h GLY 192 CO 1.04 0.12 0.00 0.69 0.00 0.00 0.00 176.54 178.39 3h5u n PHE 193 N -3.62 0.00 0.72 5.60 3.72 -1.26 -2.29 117.46 120.34 3h5u n PHE 193 Ca -0.02 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.51 3h5u n PHE 193 Cb 0.78 -0.30 0.48 0.00 -0.94 0.00 0.00 39.48 39.50 3h5u n PHE 193 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3h5u n GLN 194 N -1.30 0.15 -3.90 -1.08 10.64 -1.23 -3.94 117.38 116.71 3h5u n GLN 194 Ca 0.10 0.16 -0.36 0.00 -1.83 0.00 0.00 57.00 55.07 3h5u n GLN 194 Cb 0.17 -1.68 -0.07 0.00 -0.86 0.00 0.00 30.24 27.80 3h5u n GLN 194 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 3h5u s TYR 195 N -3.08 3.50 0.95 2.61 2.02 -0.97 -4.69 117.35 117.69 3h5u s TYR 195 Ca 0.11 0.43 -0.12 0.00 -0.37 0.00 0.00 57.07 57.11 3h5u s TYR 195 Cb 0.14 -1.98 0.16 0.00 -0.40 0.00 0.00 41.96 39.88 3h5u s TYR 195 CO 0.53 0.58 1.10 -1.54 -1.57 0.00 0.00 175.55 174.65 3h5u s SER 196 N -0.62 3.04 0.34 2.29 1.04 -1.26 -4.74 113.70 113.78 3h5u s SER 196 Ca 0.13 1.24 0.01 0.00 0.48 0.00 0.00 55.95 57.81 3h5u s SER 196 Cb -0.12 -1.90 0.59 0.00 0.10 0.00 0.00 66.02 64.68 3h5u s SER 196 CO 0.02 -2.88 2.00 -0.65 0.98 0.00 0.00 173.24 172.71 3h5u h PRO 197 N -1.72 0.89 -0.63 4.02 0.11 -1.90 0.97 132.00 133.74 3h5u h PRO 197 Ca -0.52 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.52 3h5u h PRO 197 Cb 1.31 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.20 3h5u h PRO 197 CO 0.57 0.60 0.35 0.78 -0.21 0.00 0.00 178.00 180.09 3h5u h GLY 198 N 0.92 0.93 1.05 -0.55 0.00 -1.87 -0.75 103.07 102.81 3h5u h GLY 198 Ca 0.25 -0.42 -0.12 0.00 0.00 0.00 0.00 47.33 47.04 3h5u h GLY 198 CO -0.05 0.40 -0.17 1.46 0.00 0.00 0.00 176.54 178.17 3h5u h GLN 199 N 0.86 0.91 -0.33 4.80 4.20 -1.69 -2.58 115.11 121.27 3h5u h GLN 199 Ca 0.22 -0.38 -0.02 0.00 0.06 0.00 0.00 58.65 58.54 3h5u h GLN 199 Cb 0.03 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 3h5u h GLN 199 CO -0.04 1.03 0.15 -0.09 -0.67 0.00 0.00 178.83 179.21 3h5u h ARG 200 N 0.74 0.48 -0.22 1.46 2.43 -0.60 -1.07 114.38 117.60 3h5u h ARG 200 Ca 0.10 -0.08 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 3h5u h ARG 200 Cb 0.74 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 3h5u h ARG 200 CO 0.06 0.46 -0.10 -0.24 -1.51 0.00 0.00 179.97 178.64 3h5u h VAL 201 N 0.39 1.19 -0.40 0.20 3.04 -1.10 -1.63 116.25 117.94 3h5u h VAL 201 Ca 0.11 -0.83 -0.14 0.00 -1.01 0.00 0.00 66.70 64.83 3h5u h VAL 201 Cb 0.15 1.13 -0.01 0.00 -2.01 0.00 0.00 31.29 30.55 3h5u h VAL 201 CO -0.01 0.27 -0.29 -0.08 -1.01 0.00 0.00 177.57 176.45 3h5u h GLU 202 N 0.34 0.90 -0.53 4.17 4.81 -1.18 -1.01 114.58 122.08 3h5u h GLU 202 Ca 0.07 -0.43 -0.07 0.00 -0.13 0.00 0.00 59.36 58.80 3h5u h GLU 202 Cb 0.39 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.74 3h5u h GLU 202 CO 0.02 1.08 0.08 0.35 -0.73 0.00 0.00 179.01 179.81 3h5u h PHE 203 N 0.72 0.95 -0.10 0.92 3.57 -0.88 -0.15 116.94 121.96 3h5u h PHE 203 Ca 0.08 -0.14 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 3h5u h PHE 203 Cb 0.87 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.34 3h5u h PHE 203 CO 0.06 0.85 0.03 -0.07 -2.23 0.00 0.00 178.31 176.95 3h5u h LEU 204 N 0.77 0.14 -0.34 0.59 3.38 -1.20 -1.93 115.31 116.74 3h5u h LEU 204 Ca 0.16 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3h5u h LEU 204 Cb 0.42 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3h5u h LEU 204 CO 0.01 0.31 0.02 0.58 0.09 0.00 0.00 178.44 179.45 3h5u h VAL 205 N -0.03 1.25 -0.36 1.22 2.07 -1.10 -0.81 116.25 118.49 3h5u h VAL 205 Ca 0.03 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 3h5u h VAL 205 Cb 0.21 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 3h5u h VAL 205 CO -0.00 0.30 0.18 0.78 0.02 0.00 0.00 177.57 178.85 3h5u h ASN 206 N 0.39 0.44 -0.13 0.57 2.35 -1.03 -0.13 115.58 118.04 3h5u h ASN 206 Ca 0.10 -0.03 -0.21 0.00 -0.55 0.00 0.00 56.30 55.61 3h5u h ASN 206 Cb 0.42 -0.11 0.01 0.00 0.05 0.00 0.00 38.32 38.69 3h5u h ASN 206 CO 0.01 0.38 -0.74 0.74 -1.65 0.00 0.00 177.43 176.17 3h5u h THR 207 N 0.50 1.30 -0.08 2.81 2.02 -1.12 -0.34 112.91 118.00 3h5u h THR 207 Ca 0.13 -1.97 0.00 0.00 0.77 0.00 0.00 66.41 65.34 3h5u h THR 207 Cb 0.05 2.07 -0.00 0.00 -1.74 0.00 0.00 68.15 68.52 3h5u h THR 207 CO -0.02 0.62 0.05 -0.25 0.37 0.00 0.00 175.52 176.29 3h5u h TRP 208 N 0.44 0.10 -0.25 3.16 2.91 -0.73 -2.65 115.95 118.92 3h5u h TRP 208 Ca -0.06 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 59.91 3h5u h TRP 208 Cb 1.38 -0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 29.98 3h5u h TRP 208 CO 0.10 0.08 -0.07 0.87 -1.03 0.00 0.00 178.44 178.38 3h5u h LYS 209 N 0.09 0.40 0.00 2.65 1.57 -1.05 -2.87 116.57 117.36 3h5u h LYS 209 Ca 0.03 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3h5u h LYS 209 Cb 0.01 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.26 3h5u h LYS 209 CO -0.01 0.49 0.00 -1.13 -0.57 0.00 0.00 179.45 178.23 3h5u n SER 210 N -4.27 0.45 -4.90 0.86 3.41 -0.14 -4.72 113.62 104.32 3h5u n SER 210 Ca 0.00 0.67 -0.32 0.00 -0.26 0.00 0.00 58.87 58.97 3h5u n SER 210 Cb 0.27 -0.75 -0.05 0.00 -0.26 0.00 0.00 64.21 63.42 3h5u n SER 210 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3h5u s LYS 211 N -3.36 3.52 0.03 4.33 -0.14 -1.08 -5.02 119.74 118.01 3h5u s LYS 211 Ca 0.00 -0.24 -0.26 0.00 -1.36 0.00 0.00 55.97 54.11 3h5u s LYS 211 Cb 0.06 -3.01 -0.17 0.00 -1.68 0.00 0.00 37.83 33.03 3h5u s LYS 211 CO 0.22 0.59 1.42 0.87 -0.76 0.00 0.00 175.35 177.69 3h5u h LYS 212 N 3.35 -0.25 -2.79 1.68 1.57 -1.88 -3.39 116.57 114.86 3h5u h LYS 212 Ca -0.47 0.02 -0.60 0.00 -1.87 0.00 0.00 60.65 57.72 3h5u h LYS 212 Cb 1.17 0.06 -0.40 0.00 0.08 0.00 0.00 32.23 33.14 3h5u h LYS 212 CO 0.72 0.02 -0.78 -0.80 -0.57 0.00 0.00 179.45 178.03 3h5u s ASN 213 N -5.17 3.19 0.38 0.86 0.01 -1.26 -5.09 114.94 107.86 3h5u s ASN 213 Ca -0.15 -2.89 -0.26 0.00 -0.71 0.00 0.00 52.86 48.86 3h5u s ASN 213 Cb 0.03 -0.90 -0.09 0.00 0.41 0.00 0.00 41.25 40.71 3h5u s ASN 213 CO 0.61 -0.22 1.17 -2.16 -1.51 0.00 0.00 177.10 175.00 3h5u s PRO 214 N 0.07 4.13 0.09 -0.60 0.04 -1.26 -0.41 135.00 137.06 3h5u s PRO 214 Ca 0.23 1.87 0.04 0.00 0.04 0.00 0.00 61.00 63.18 3h5u s PRO 214 Cb -0.14 -2.75 -0.03 0.00 0.04 0.00 0.00 34.50 31.62 3h5u s PRO 214 CO -0.08 -0.26 -0.12 1.41 0.04 0.00 0.00 177.00 178.00 3h5u s MET 215 N -2.18 0.84 -0.01 4.56 1.75 -0.32 -4.69 119.30 119.24 3h5u s MET 215 Ca 0.55 -1.07 -0.12 0.00 -1.25 0.00 0.00 55.69 53.80 3h5u s MET 215 Cb -0.31 -0.66 0.02 0.00 2.84 0.00 0.00 34.83 36.71 3h5u s MET 215 CO 0.40 0.13 0.25 0.20 -0.65 0.00 0.00 175.02 175.34 3h5u s GLY 216 N -2.14 -0.08 0.02 2.11 0.00 -0.25 -0.86 107.32 106.12 3h5u s GLY 216 Ca 0.02 0.15 -0.15 0.00 0.00 0.00 0.00 44.72 44.74 3h5u s GLY 216 CO 0.01 -0.04 0.33 -0.11 0.00 0.00 0.00 173.10 173.30 3h5u s PHE 217 N -1.40 -0.17 0.10 1.90 -0.71 0.01 -0.36 117.98 117.35 3h5u s PHE 217 Ca -0.14 0.14 0.03 0.00 -1.04 0.00 0.00 56.93 55.92 3h5u s PHE 217 Cb -0.06 0.12 -0.04 0.00 -1.21 0.00 0.00 43.02 41.83 3h5u s PHE 217 CO 0.03 -0.48 0.10 -1.54 -1.34 0.00 0.00 175.22 172.00 3h5u s SER 218 N -1.78 5.59 -0.16 1.98 1.04 -1.26 -0.13 113.70 118.98 3h5u s SER 218 Ca -0.08 -0.01 0.01 0.00 0.48 0.00 0.00 55.95 56.34 3h5u s SER 218 Cb -0.02 -1.51 0.02 0.00 0.10 0.00 0.00 66.02 64.61 3h5u s SER 218 CO -0.00 0.15 -0.18 -0.47 0.98 0.00 0.00 173.24 173.72 3h5u s TYR 219 N -1.48 2.51 -0.46 5.02 5.04 -0.17 -4.56 117.35 123.25 3h5u s TYR 219 Ca 0.30 -1.44 -0.12 0.00 -2.44 0.00 0.00 57.07 53.37 3h5u s TYR 219 Cb -0.12 -1.77 0.09 0.00 0.35 0.00 0.00 41.96 40.51 3h5u s TYR 219 CO 0.23 -0.73 0.35 0.34 -1.34 0.00 0.00 175.55 174.39 3h5u s ASP 220 N 1.33 5.89 -0.05 4.32 2.15 -1.26 -4.17 116.67 124.88 3h5u s ASP 220 Ca 0.04 -1.53 -0.30 0.00 0.43 0.00 0.00 52.55 51.19 3h5u s ASP 220 Cb -0.13 -2.09 -0.02 0.00 -0.30 0.00 0.00 42.92 40.38 3h5u s ASP 220 CO -0.11 -0.64 1.03 -0.89 -0.17 0.00 0.00 175.17 174.39 3h5u s THR 221 N 1.51 4.71 0.07 1.71 2.01 -1.26 -0.10 115.64 124.29 3h5u s THR 221 Ca 0.04 1.96 -0.30 0.00 0.31 0.00 0.00 61.69 63.69 3h5u s THR 221 Cb -0.25 -4.26 -0.09 0.00 0.01 0.00 0.00 72.50 67.91 3h5u s THR 221 CO 0.03 0.07 1.88 -0.60 -0.69 0.00 0.00 174.62 175.32 3h5u s ARG 222 N 1.57 4.14 -1.09 4.92 3.52 -0.27 -3.70 118.95 128.04 3h5u s ARG 222 Ca 0.51 2.57 -0.24 0.00 -0.13 0.00 0.00 55.73 58.44 3h5u s ARG 222 Cb -0.21 -3.90 0.03 0.00 -1.56 0.00 0.00 34.95 29.31 3h5u s ARG 222 CO 0.23 -0.89 0.67 0.00 -0.81 0.00 0.00 175.30 174.49 3h5u h PHE 224 N -1.89 0.49 -0.98 0.00 3.04 -1.96 -0.32 116.94 115.33 3h5u h PHE 224 Ca -0.68 0.04 0.07 0.00 3.98 0.00 0.00 57.97 61.37 3h5u h PHE 224 Cb 1.40 -0.09 -0.07 0.00 2.56 0.00 0.00 35.95 39.75 3h5u h PHE 224 CO 0.32 -0.01 0.63 -0.44 -2.02 0.00 0.00 178.31 176.80 3h5u h ASP 225 N 0.39 1.00 1.40 0.41 5.19 -1.92 -0.89 116.42 121.99 3h5u h ASP 225 Ca 0.46 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.88 3h5u h ASP 225 Cb 0.79 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 40.09 3h5u h ASP 225 CO -0.47 0.63 0.00 0.28 -3.12 0.00 0.00 179.24 176.56 3h5u h SER 226 N 1.13 0.00 0.84 6.45 0.02 -1.36 -2.70 113.55 117.92 3h5u h SER 226 Ca 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 3h5u h SER 226 Cb 0.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.73 3h5u h SER 226 CO -0.17 0.00 -0.25 0.35 -1.14 0.00 0.00 176.83 175.62 3h5u n THR 227 N -2.93 0.08 -2.45 -2.27 -2.24 -0.35 -4.73 114.28 99.38 3h5u n THR 227 Ca 0.02 -0.05 -0.43 0.00 -2.27 0.00 0.00 64.05 61.33 3h5u n THR 227 Cb 0.39 -0.19 -0.02 0.00 -2.10 0.00 0.00 70.33 68.41 3h5u n THR 227 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3h5u s VAL 228 N -3.02 4.28 0.38 2.28 1.01 -1.04 -4.79 120.40 119.50 3h5u s VAL 228 Ca 0.12 1.59 0.07 0.00 0.00 0.00 0.00 61.98 63.76 3h5u s VAL 228 Cb 0.17 -4.02 -0.00 0.00 0.00 0.00 0.00 36.38 32.53 3h5u s VAL 228 CO 0.62 -0.05 0.49 0.42 0.00 0.00 0.00 175.10 176.57 3h5u s THR 229 N 2.66 3.36 0.27 3.92 -4.23 -1.26 -3.98 115.64 116.38 3h5u s THR 229 Ca 0.55 -1.08 -0.00 0.00 -1.18 0.00 0.00 61.69 59.98 3h5u s THR 229 Cb -0.23 -3.15 0.26 0.00 1.34 0.00 0.00 72.50 70.71 3h5u s THR 229 CO 0.19 -0.07 1.81 -0.08 -0.54 0.00 0.00 174.62 175.94 3h5u h GLU 230 N 0.83 0.85 -0.33 3.99 4.81 -1.87 -1.55 114.58 121.31 3h5u h GLU 230 Ca -0.43 -0.05 0.05 0.00 -0.13 0.00 0.00 59.36 58.80 3h5u h GLU 230 Cb 1.27 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 30.41 3h5u h GLU 230 CO 0.50 0.56 0.05 -0.97 -0.73 0.00 0.00 179.01 178.43 3h5u h ASN 231 N 0.87 -0.02 -0.73 1.04 -1.24 -1.97 -1.00 115.58 112.53 3h5u h ASN 231 Ca 0.47 0.06 0.03 0.00 0.71 0.00 0.00 56.30 57.57 3h5u h ASN 231 Cb 0.51 0.08 -0.05 0.00 0.73 0.00 0.00 38.32 39.60 3h5u h ASN 231 CO -0.28 0.03 0.46 0.44 -1.29 0.00 0.00 177.43 176.78 3h5u h ASP 232 N 0.16 0.75 0.30 1.15 3.32 -1.69 -0.23 116.42 120.19 3h5u h ASP 232 Ca 0.15 -0.00 -0.16 0.00 0.02 0.00 0.00 57.03 57.05 3h5u h ASP 232 Cb 0.18 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3h5u h ASP 232 CO -0.22 0.52 -0.63 0.40 -1.72 0.00 0.00 179.24 177.59 3h5u h ILE 233 N 0.89 1.38 -0.15 0.35 2.04 -1.07 -1.14 117.51 119.81 3h5u h ILE 233 Ca 0.29 -2.01 -0.15 0.00 1.00 0.00 0.00 64.86 64.00 3h5u h ILE 233 Cb 0.02 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.09 3h5u h ILE 233 CO -0.11 0.60 -0.53 0.03 0.00 0.00 0.00 178.15 178.14 3h5u h ARG 234 N 0.23 0.44 -0.50 2.37 3.08 -0.79 -2.13 114.38 117.08 3h5u h ARG 234 Ca -0.01 -0.27 -0.04 0.00 0.07 0.00 0.00 59.98 59.74 3h5u h ARG 234 Cb 1.16 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.21 3h5u h ARG 234 CO 0.10 0.86 0.17 0.28 -1.07 0.00 0.00 179.97 180.31 3h5u h VAL 235 N 0.34 1.22 -0.57 2.04 2.07 -0.73 -1.04 116.25 119.59 3h5u h VAL 235 Ca 0.01 -0.74 0.04 0.00 0.82 0.00 0.00 66.70 66.84 3h5u h VAL 235 Cb 1.04 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 3h5u h VAL 235 CO 0.09 0.27 0.31 -0.33 0.02 0.00 0.00 177.57 177.94 3h5u h GLU 236 N 0.67 0.58 -0.88 1.57 5.08 -1.17 -0.85 114.58 119.57 3h5u h GLU 236 Ca 0.16 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.50 3h5u h GLU 236 Cb 0.25 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.33 3h5u h GLU 236 CO -0.01 0.38 0.58 1.49 -1.00 0.00 0.00 179.01 180.46 3h5u h GLU 237 N 0.60 1.14 -0.07 2.33 4.22 -0.93 -0.61 114.58 121.26 3h5u h GLU 237 Ca 0.25 -0.07 -0.06 0.00 0.08 0.00 0.00 59.36 59.56 3h5u h GLU 237 Cb 0.12 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.11 3h5u h GLU 237 CO -0.15 0.75 -0.25 0.66 -2.18 0.00 0.00 179.01 177.84 3h5u h SER 238 N 1.17 0.11 0.22 1.04 4.64 -0.43 0.12 113.55 120.42 3h5u h SER 238 Ca 0.33 -0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 61.61 3h5u h SER 238 Cb -0.10 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 3h5u h SER 238 CO -0.08 0.37 -0.11 0.40 -0.87 0.00 0.00 176.83 176.54 3h5u h ILE 239 N 0.11 0.86 -0.69 0.95 2.04 -0.49 -2.74 117.51 117.55 3h5u h ILE 239 Ca 0.02 -0.58 0.14 0.00 1.00 0.00 0.00 64.86 65.44 3h5u h ILE 239 Cb 0.51 1.19 -0.10 0.00 -0.74 0.00 0.00 36.82 37.68 3h5u h ILE 239 CO 0.04 0.13 0.15 1.88 0.00 0.00 0.00 178.15 180.34 3h5u h TYR 240 N -0.59 0.24 0.00 1.37 0.05 -0.70 -0.73 116.97 116.61 3h5u h TYR 240 Ca -0.03 0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.79 3h5u h TYR 240 Cb 0.43 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.17 3h5u h TYR 240 CO 0.02 -0.07 0.00 1.04 -1.05 0.00 0.00 178.16 178.10 3h5u n GLN 241 N -5.15 0.15 0.23 4.88 1.13 0.37 -2.14 117.38 116.86 3h5u n GLN 241 Ca 0.12 0.41 0.06 0.00 -1.94 0.00 0.00 57.00 55.65 3h5u n GLN 241 Cb 0.40 -1.81 0.54 0.00 0.11 0.00 0.00 30.24 29.48 3h5u n GLN 241 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3h5u s ASP 244 N -1.98 6.29 0.14 0.00 -1.08 -0.22 -4.98 116.67 114.84 3h5u s ASP 244 Ca 0.73 -0.22 0.09 0.00 -0.52 0.00 0.00 52.55 52.64 3h5u s ASP 244 Cb -0.30 -2.55 -0.04 0.00 -1.46 0.00 0.00 42.92 38.57 3h5u s ASP 244 CO 0.51 -1.66 -0.22 -0.76 0.52 0.00 0.00 175.17 173.56 3h5u s LEU 245 N 5.33 2.37 0.67 -1.34 1.43 -1.26 -1.53 118.68 124.34 3h5u s LEU 245 Ca 0.38 -0.78 -0.16 0.00 -1.03 0.00 0.00 54.13 52.53 3h5u s LEU 245 Cb -0.08 -0.98 0.00 0.00 0.03 0.00 0.00 46.19 45.17 3h5u s LEU 245 CO 0.20 0.06 1.18 0.00 0.23 0.00 0.00 176.35 178.02 3h5u s ALA 246 N -1.51 2.35 0.25 4.21 0.00 -1.26 -4.84 121.76 120.96 3h5u s ALA 246 Ca 0.13 0.83 -0.03 0.00 0.00 0.00 0.00 51.96 52.89 3h5u s ALA 246 Cb -0.08 -3.42 0.42 0.00 0.00 0.00 0.00 23.12 20.03 3h5u s ALA 246 CO 0.06 -1.48 1.82 -1.35 0.00 0.00 0.00 175.76 174.82 3h5u h PRO 247 N 0.18 0.85 -0.62 0.00 0.11 -2.01 -1.96 132.00 128.55 3h5u h PRO 247 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3h5u h PRO 247 Cb 1.28 -0.19 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 3h5u h PRO 247 CO 0.53 0.56 0.40 0.93 -0.21 0.00 0.00 178.00 180.21 3h5u h GLU 248 N 0.88 0.83 -0.61 1.05 5.08 -2.00 -2.32 114.58 117.49 3h5u h GLU 248 Ca 0.41 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.75 3h5u h GLU 248 Cb 0.35 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.37 3h5u h GLU 248 CO -0.23 0.56 0.36 0.00 -1.00 0.00 0.00 179.01 178.69 3h5u h ALA 249 N 1.22 0.79 -0.71 3.43 0.00 -1.82 -0.86 119.26 121.31 3h5u h ALA 249 Ca 0.23 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.18 3h5u h ALA 249 Cb -0.08 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 3h5u h ALA 249 CO -0.05 0.07 0.43 0.00 0.00 0.00 0.00 179.25 179.70 3h5u h ARG 250 N 0.69 0.80 -0.18 0.00 3.08 -1.04 -1.73 114.38 116.00 3h5u h ARG 250 Ca 0.25 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.22 3h5u h ARG 250 Cb 0.08 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 3h5u h ARG 250 CO -0.13 0.53 -0.04 0.37 -1.07 0.00 0.00 179.97 179.63 3h5u h GLN 251 N 0.83 0.34 -0.99 0.04 5.75 -1.09 -1.59 115.11 118.41 3h5u h GLN 251 Ca 0.30 -0.13 0.05 0.00 -0.15 0.00 0.00 58.65 58.72 3h5u h GLN 251 Cb 0.09 -0.02 -0.06 0.00 1.07 0.00 0.00 27.48 28.55 3h5u h GLN 251 CO -0.14 0.61 0.64 0.00 -2.65 0.00 0.00 178.83 177.30 3h5u h ALA 252 N 0.72 1.40 -0.24 3.38 0.00 -1.02 0.25 119.26 123.75 3h5u h ALA 252 Ca 0.04 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 3h5u h ALA 252 Cb 0.48 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3h5u h ALA 252 CO 0.02 0.47 -0.55 0.82 0.00 0.00 0.00 179.25 180.01 3h5u h ILE 253 N 1.19 1.30 -0.17 0.00 2.04 -1.21 0.36 117.51 121.01 3h5u h ILE 253 Ca 0.41 -1.76 -0.00 0.00 1.00 0.00 0.00 64.86 64.51 3h5u h ILE 253 Cb 0.11 1.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 3h5u h ILE 253 CO -0.15 0.56 0.10 0.50 0.00 0.00 0.00 178.15 179.16 3h5u h LYS 254 N 0.56 0.23 -0.24 2.37 3.64 -0.91 -1.84 116.57 120.38 3h5u h LYS 254 Ca 0.01 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 3h5u h LYS 254 Cb 1.13 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 3h5u h LYS 254 CO 0.11 0.19 0.08 1.03 -2.27 0.00 0.00 179.45 178.59 3h5u h SER 255 N 0.20 0.34 -0.43 4.20 0.87 -0.68 -0.36 113.55 117.70 3h5u h SER 255 Ca 0.06 -0.20 -0.06 0.00 -1.23 0.00 0.00 61.79 60.36 3h5u h SER 255 Cb 0.02 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 61.87 3h5u h SER 255 CO -0.01 0.45 0.07 -0.07 -0.53 0.00 0.00 176.83 176.74 3h5u h LEU 256 N 0.22 0.74 -0.15 2.23 3.38 -0.33 0.14 115.31 121.54 3h5u h LEU 256 Ca 0.08 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3h5u h LEU 256 Cb 0.23 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3h5u h LEU 256 CO -0.00 0.76 0.04 0.74 0.09 0.00 0.00 178.44 180.07 3h5u h THR 257 N 0.75 1.19 -0.48 0.22 2.02 -1.08 0.19 112.91 115.72 3h5u h THR 257 Ca 0.16 -0.58 -0.10 0.00 0.77 0.00 0.00 66.41 66.65 3h5u h THR 257 Cb 0.35 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 3h5u h THR 257 CO 0.01 0.18 -0.09 -0.33 0.37 0.00 0.00 175.52 175.65 3h5u h GLU 258 N 0.05 0.90 0.00 6.66 4.39 -0.68 -2.16 114.58 123.74 3h5u h GLU 258 Ca 0.05 -0.34 -0.03 0.00 0.34 0.00 0.00 59.36 59.39 3h5u h GLU 258 Cb 0.24 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 3h5u h GLU 258 CO -0.00 0.98 -1.77 0.54 -1.16 0.00 0.00 179.01 177.60 3h5u n ARG 259 N -4.25 0.65 0.08 2.33 1.74 0.46 -4.62 116.66 113.05 3h5u n ARG 259 Ca 0.00 -0.10 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 3h5u n ARG 259 Cb 0.38 -1.60 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 3h5u n ARG 259 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3h5u n LEU 260 N -2.40 0.58 -0.15 0.55 7.94 0.27 0.12 117.00 123.90 3h5u n LEU 260 Ca -0.05 0.27 -0.03 0.00 -1.11 0.00 0.00 56.01 55.09 3h5u n LEU 260 Cb 0.61 -0.04 0.18 0.00 0.53 0.00 0.00 43.42 44.70 3h5u n LEU 260 CO 0.44 -0.76 1.00 1.88 -1.11 0.00 0.00 177.39 178.85 3h5u h TYR 261 N 0.00 0.90 -0.20 1.96 0.05 -0.79 -2.80 116.97 116.08 3h5u h TYR 261 Ca 0.00 -0.07 -0.15 0.00 0.05 0.00 0.00 58.73 58.56 3h5u h TYR 261 Cb 0.00 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 37.47 3h5u h TYR 261 CO 0.00 0.73 -0.49 0.82 -1.05 0.00 0.00 178.16 178.17 3h5u h ILE 262 N 0.85 1.31 0.00 -2.88 2.04 -1.63 -3.41 117.51 113.79 3h5u h ILE 262 Ca 0.19 -1.70 0.00 0.00 1.00 0.00 0.00 64.86 64.35 3h5u h ILE 262 Cb 0.26 1.69 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 3h5u h ILE 262 CO -0.01 0.53 0.00 0.61 0.00 0.00 0.00 178.15 179.28 3h5u n GLY 263 N 0.14 -0.74 0.00 5.37 0.00 -1.06 -3.79 105.19 105.11 3h5u n GLY 263 Ca -0.02 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.80 3h5u n GLY 263 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h5u n GLY 264 N -0.64 2.00 3.78 -0.02 0.00 -0.34 -4.20 105.19 105.78 3h5u n GLY 264 Ca 0.00 -1.01 -0.35 0.00 0.00 0.00 0.00 46.02 44.65 3h5u n GLY 264 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h5u s PRO 265 N -2.00 3.51 -0.15 1.61 0.04 -1.26 -0.74 135.00 136.01 3h5u s PRO 265 Ca 0.00 1.61 -0.00 0.00 0.04 0.00 0.00 61.00 62.65 3h5u s PRO 265 Cb 0.00 -2.11 -0.01 0.00 0.04 0.00 0.00 34.50 32.42 3h5u s PRO 265 CO 0.00 -0.72 -0.13 -0.51 0.04 0.00 0.00 177.00 175.68 3h5u s LEU 266 N -3.58 2.67 -0.02 -3.56 1.43 0.51 -2.74 118.68 113.39 3h5u s LEU 266 Ca 0.70 -0.37 0.08 0.00 -1.03 0.00 0.00 54.13 53.51 3h5u s LEU 266 Cb -0.24 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 3h5u s LEU 266 CO 0.28 0.13 -0.25 -0.89 0.23 0.00 0.00 176.35 175.84 3h5u s THR 267 N 0.58 1.95 0.78 5.49 2.01 0.22 0.04 115.64 126.70 3h5u s THR 267 Ca -0.08 -1.06 -0.07 0.00 0.31 0.00 0.00 61.69 60.79 3h5u s THR 267 Cb -0.16 -1.62 0.12 0.00 0.01 0.00 0.00 72.50 70.85 3h5u s THR 267 CO 0.03 0.55 1.09 0.54 -0.69 0.00 0.00 174.62 176.13 3h5u s ASN 268 N -0.60 4.21 0.58 3.53 2.20 -0.33 -0.69 114.94 123.84 3h5u s ASN 268 Ca 0.10 0.13 0.30 0.00 -0.94 0.00 0.00 52.86 52.44 3h5u s ASN 268 Cb -0.10 -0.53 1.79 0.00 -2.00 0.00 0.00 41.25 40.42 3h5u s ASN 268 CO -0.01 -1.98 2.23 0.77 -2.94 0.00 0.00 177.10 175.17 3h5u h SER 269 N -0.84 0.00 -0.07 3.54 4.64 -1.77 -0.98 113.55 118.06 3h5u h SER 269 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 3h5u h SER 269 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3h5u h SER 269 CO 0.47 0.02 0.00 0.29 -0.87 0.00 0.00 176.83 176.74 3h5u n LYS 270 N -3.78 1.41 -0.79 4.77 5.02 -1.26 -4.91 118.16 118.62 3h5u n LYS 270 Ca -0.03 -0.61 0.00 0.00 -2.02 0.00 0.00 58.31 55.65 3h5u n LYS 270 Cb 0.11 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 3h5u n LYS 270 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3h5u n GLY 271 N 1.03 0.58 3.87 0.72 0.00 -0.37 -5.05 105.19 105.97 3h5u n GLY 271 Ca 0.17 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 3h5u n GLY 271 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3h5u s GLN 272 N -0.51 3.83 -0.10 1.61 -0.21 -1.26 -4.81 119.66 118.21 3h5u s GLN 272 Ca 0.00 0.29 -0.30 0.00 0.02 0.00 0.00 55.36 55.37 3h5u s GLN 272 Cb 0.00 -2.80 -0.02 0.00 1.00 0.00 0.00 33.01 31.19 3h5u s GLN 272 CO 0.00 0.41 1.20 1.21 -2.12 0.00 0.00 175.29 175.99 3h5u s ASN 273 N -2.10 7.03 -0.09 5.90 3.04 -1.26 -1.19 114.94 126.28 3h5u s ASN 273 Ca 0.42 1.75 0.19 0.00 0.04 0.00 0.00 52.86 55.26 3h5u s ASN 273 Cb -0.13 -2.55 -0.26 0.00 -1.54 0.00 0.00 41.25 36.77 3h5u s ASN 273 CO 0.20 -0.63 0.36 0.00 -3.04 0.00 0.00 177.10 173.99 3h5u n GLY 275 N 1.52 -0.11 3.06 0.00 0.00 -1.19 -0.78 105.19 107.69 3h5u n GLY 275 Ca -0.19 -0.94 -0.13 0.00 0.00 0.00 0.00 46.02 44.76 3h5u n GLY 275 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3h5u s TYR 276 N -4.00 -0.21 -0.12 1.61 5.04 0.73 -0.36 117.35 120.04 3h5u s TYR 276 Ca 0.00 0.52 -0.03 0.00 -2.44 0.00 0.00 57.07 55.13 3h5u s TYR 276 Cb 0.00 0.06 -0.03 0.00 0.35 0.00 0.00 41.96 42.34 3h5u s TYR 276 CO 0.00 -0.11 -0.01 0.50 -1.34 0.00 0.00 175.55 174.59 3h5u s ARG 277 N 0.20 3.30 -0.25 4.97 3.52 0.08 -1.27 118.95 129.49 3h5u s ARG 277 Ca -0.01 -0.45 0.17 0.00 -0.13 0.00 0.00 55.73 55.31 3h5u s ARG 277 Cb -0.02 -2.86 0.48 0.00 -1.56 0.00 0.00 34.95 30.99 3h5u s ARG 277 CO -0.00 0.50 1.15 0.54 -0.81 0.00 0.00 175.30 176.68 3h5u n ARG 278 N 2.75 2.31 -2.57 5.12 1.74 -0.03 -1.19 116.66 124.79 3h5u n ARG 278 Ca -0.18 -3.65 -0.06 0.00 -0.77 0.00 0.00 57.85 53.19 3h5u n ARG 278 Cb 0.53 -1.75 -0.01 0.00 -1.02 0.00 0.00 32.46 30.20 3h5u n ARG 278 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3h5u s ARG 280 N -2.34 4.13 0.09 0.00 6.06 -1.07 -4.62 118.95 121.21 3h5u s ARG 280 Ca 0.12 2.60 -0.30 0.00 -2.50 0.00 0.00 55.73 55.65 3h5u s ARG 280 Cb -0.00 -3.09 -0.06 0.00 0.06 0.00 0.00 34.95 31.85 3h5u s ARG 280 CO 0.09 -0.75 1.12 0.00 -2.50 0.00 0.00 175.30 173.26 3h5u s ALA 281 N 1.23 3.34 -0.84 6.12 0.00 -1.26 -4.78 121.76 125.57 3h5u s ALA 281 Ca 0.75 0.78 0.25 0.00 0.00 0.00 0.00 51.96 53.74 3h5u s ALA 281 Cb -0.49 -3.39 0.97 0.00 0.00 0.00 0.00 23.12 20.20 3h5u s ALA 281 CO 0.32 -0.31 1.78 -1.13 0.00 0.00 0.00 175.76 176.42 3h5u n SER 282 N 3.35 0.38 -2.44 0.00 3.41 -1.24 -4.09 113.62 112.98 3h5u n SER 282 Ca 0.06 0.55 -0.21 0.00 -0.26 0.00 0.00 58.87 59.01 3h5u n SER 282 Cb 0.47 -0.65 0.01 0.00 -0.26 0.00 0.00 64.21 63.79 3h5u n SER 282 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3h5u n GLY 283 N 1.03 4.88 3.34 5.00 0.00 0.12 -4.25 105.19 115.31 3h5u n GLY 283 Ca 0.05 -2.32 -0.18 0.00 0.00 0.00 0.00 46.02 43.58 3h5u n GLY 283 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3h5u s VAL 284 N -4.72 1.47 0.38 1.61 -7.23 -1.13 -4.39 120.40 106.39 3h5u s VAL 284 Ca 0.43 -2.13 0.09 0.00 -1.81 0.00 0.00 61.98 58.56 3h5u s VAL 284 Cb 0.41 -2.15 0.31 0.00 0.56 0.00 0.00 36.38 35.51 3h5u s VAL 284 CO -0.08 -0.51 1.94 0.25 -0.31 0.00 0.00 175.10 176.39 3h5u h LEU 285 N 2.52 0.57 -0.88 1.32 5.85 -1.79 -1.87 115.31 121.03 3h5u h LEU 285 Ca -0.38 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.35 3h5u h LEU 285 Cb 1.22 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.14 3h5u h LEU 285 CO 0.64 0.34 0.00 0.35 -0.34 0.00 0.00 178.44 179.43 3h5u n THR 286 N -4.50 0.12 -0.12 1.05 -2.24 -1.26 -4.29 114.28 103.03 3h5u n THR 286 Ca 0.13 -0.26 -0.05 0.00 -2.27 0.00 0.00 64.05 61.60 3h5u n THR 286 Cb 0.35 0.29 0.03 0.00 -2.10 0.00 0.00 70.33 68.90 3h5u n THR 286 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3h5u h THR 287 N 1.89 0.81 0.04 4.28 2.02 -1.59 0.63 112.91 121.00 3h5u h THR 287 Ca 0.00 -0.08 -0.00 0.00 0.77 0.00 0.00 66.41 67.10 3h5u h THR 287 Cb 0.41 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 67.38 3h5u h THR 287 CO 0.00 0.04 -0.02 -1.28 0.37 0.00 0.00 175.52 174.63 3h5u h SER 288 N 0.23 -0.05 -0.30 4.18 0.87 -1.75 -2.06 113.55 114.68 3h5u h SER 288 Ca 0.19 -0.59 0.02 0.00 -1.23 0.00 0.00 61.79 60.18 3h5u h SER 288 Cb 0.22 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.17 3h5u h SER 288 CO -0.24 0.61 0.15 0.00 -0.53 0.00 0.00 176.83 176.82 3h5u h GLY 290 N 0.32 0.96 1.01 0.00 0.00 -0.97 -0.54 103.07 103.84 3h5u h GLY 290 Ca 0.12 -0.58 0.01 0.00 0.00 0.00 0.00 47.33 46.88 3h5u h GLY 290 CO -0.08 0.54 0.46 3.43 0.00 0.00 0.00 176.54 180.89 3h5u h ASN 291 N 0.80 0.81 0.34 0.19 4.21 -1.24 -1.14 115.58 119.55 3h5u h ASN 291 Ca 0.18 -0.02 -0.02 0.00 1.21 0.00 0.00 56.30 57.65 3h5u h ASN 291 Cb 0.30 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 37.30 3h5u h ASN 291 CO -0.00 0.58 -0.16 0.74 -1.29 0.00 0.00 177.43 177.30 3h5u h THR 292 N 0.95 0.68 -0.51 2.81 2.02 -0.60 0.12 112.91 118.37 3h5u h THR 292 Ca 0.26 -0.33 0.05 0.00 0.77 0.00 0.00 66.41 67.16 3h5u h THR 292 Cb -0.11 0.85 -0.05 0.00 -1.74 0.00 0.00 68.15 67.11 3h5u h THR 292 CO -0.06 0.07 0.23 -0.07 0.37 0.00 0.00 175.52 176.07 3h5u h LEU 293 N -0.64 0.31 -0.27 2.58 3.38 -1.11 0.13 115.31 119.68 3h5u h LEU 293 Ca -0.05 0.04 -0.20 0.00 0.09 0.00 0.00 57.88 57.76 3h5u h LEU 293 Cb 0.46 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3h5u h LEU 293 CO 0.08 0.21 -0.73 0.74 0.09 0.00 0.00 178.44 178.83 3h5u h THR 294 N 0.45 1.31 -0.58 0.22 2.02 -1.16 0.63 112.91 115.80 3h5u h THR 294 Ca 0.23 -2.00 -0.03 0.00 0.77 0.00 0.00 66.41 65.38 3h5u h THR 294 Cb 0.18 1.98 -0.03 0.00 -1.74 0.00 0.00 68.15 68.55 3h5u h THR 294 CO -0.19 0.62 0.24 0.00 0.37 0.00 0.00 175.52 176.56 3h5u h TYR 296 N 0.80 0.14 0.11 0.00 5.03 -0.54 -0.60 116.97 121.92 3h5u h TYR 296 Ca 0.19 -0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.51 3h5u h TYR 296 Cb 0.20 -0.04 -0.05 0.00 1.55 0.00 0.00 36.73 38.39 3h5u h TYR 296 CO 0.01 0.26 -0.45 1.25 -1.32 0.00 0.00 178.16 177.90 3h5u h LEU 297 N -0.01 -1.35 -0.53 2.82 5.85 -0.86 0.41 115.31 121.63 3h5u h LEU 297 Ca 0.03 0.15 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 3h5u h LEU 297 Cb 0.18 0.51 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 3h5u h LEU 297 CO -0.00 -0.51 0.27 0.11 -0.34 0.00 0.00 178.44 177.97 3h5u h LYS 298 N -0.68 0.75 -0.50 1.25 1.57 -1.43 -1.87 116.57 115.66 3h5u h LYS 298 Ca 0.02 -0.10 -0.08 0.00 -1.87 0.00 0.00 60.65 58.61 3h5u h LYS 298 Cb 0.71 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 3h5u h LYS 298 CO -0.27 0.60 -0.01 0.00 -0.57 0.00 0.00 179.45 179.20 3h5u h ALA 299 N 1.11 0.68 -0.16 3.86 0.00 -0.96 -1.15 119.26 122.64 3h5u h ALA 299 Ca 0.18 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3h5u h ALA 299 Cb 0.09 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3h5u h ALA 299 CO -0.03 0.50 0.10 0.77 0.00 0.00 0.00 179.25 180.60 3h5u h SER 300 N 0.76 0.19 -0.82 0.00 0.02 -0.07 -0.10 113.55 113.53 3h5u h SER 300 Ca 0.14 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 3h5u h SER 300 Cb 0.54 -0.05 -0.04 0.00 0.14 0.00 0.00 62.40 62.99 3h5u h SER 300 CO 0.03 0.18 0.50 0.00 -1.14 0.00 0.00 176.83 176.39 3h5u h ALA 301 N 1.02 1.32 -0.02 3.77 0.00 -1.33 -2.41 119.26 121.61 3h5u h ALA 301 Ca 0.06 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.73 3h5u h ALA 301 Cb 0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3h5u h ALA 301 CO -0.01 0.59 -0.67 0.00 0.00 0.00 0.00 179.25 179.16 3h5u h ALA 302 N 1.41 0.84 -0.45 0.00 0.00 -0.91 -1.75 119.26 118.39 3h5u h ALA 302 Ca 0.30 -0.60 0.03 0.00 0.00 0.00 0.00 54.91 54.64 3h5u h ALA 302 Cb -0.05 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3h5u h ALA 302 CO -0.06 0.80 0.24 0.00 0.00 0.00 0.00 179.25 180.24 3h5u h ARG 304 N 0.49 0.64 -0.49 0.00 3.08 -1.21 0.40 114.38 117.28 3h5u h ARG 304 Ca 0.19 -0.06 0.05 0.00 0.07 0.00 0.00 59.98 60.23 3h5u h ARG 304 Cb 0.07 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 29.94 3h5u h ARG 304 CO -0.12 0.47 0.24 0.00 -1.07 0.00 0.00 179.97 179.50 3h5u h ALA 305 N 1.13 0.63 0.00 0.04 0.00 -1.16 -2.09 119.26 117.81 3h5u h ALA 305 Ca 0.17 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3h5u h ALA 305 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3h5u h ALA 305 CO -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.11 3h5u n ALA 306 N -2.33 2.36 -2.96 0.00 0.00 -0.20 -4.90 120.51 112.48 3h5u n ALA 306 Ca 0.04 -0.12 -0.22 0.00 0.00 0.00 0.00 53.44 53.14 3h5u n ALA 306 Cb 0.14 -1.46 0.03 0.00 0.00 0.00 0.00 19.45 18.16 3h5u n ALA 306 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3h5u n LYS 307 N -1.35 -4.62 -2.06 0.00 5.02 0.06 -4.85 118.16 110.36 3h5u n LYS 307 Ca 0.11 0.92 -0.41 0.00 -2.02 0.00 0.00 58.31 56.91 3h5u n LYS 307 Cb 0.26 -5.75 -0.02 0.00 -0.02 0.00 0.00 35.03 29.50 3h5u n LYS 307 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3h5u s LEU 308 N -6.57 4.41 -0.18 -0.35 1.02 -0.78 -4.98 118.68 111.25 3h5u s LEU 308 Ca 0.28 2.75 -0.10 0.00 0.02 0.00 0.00 54.13 57.08 3h5u s LEU 308 Cb -0.12 -3.65 -0.05 0.00 0.02 0.00 0.00 46.19 42.39 3h5u s LEU 308 CO 0.34 -0.60 0.17 -1.58 0.02 0.00 0.00 176.35 174.70 3h5u s GLN 309 N -1.85 4.09 -1.32 1.70 2.00 -1.26 -4.48 119.66 118.54 3h5u s GLN 309 Ca 0.50 -0.14 -0.05 0.00 -2.00 0.00 0.00 55.36 53.67 3h5u s GLN 309 Cb -0.41 -3.39 -0.00 0.00 0.80 0.00 0.00 33.01 30.01 3h5u s GLN 309 CO 0.55 0.36 0.57 -3.47 -0.50 0.00 0.00 175.29 172.80 3h5u n ASP 310 N 3.29 -1.71 -4.82 6.67 2.03 -1.26 -0.91 116.55 119.84 3h5u n ASP 310 Ca -0.16 -0.97 -0.38 0.00 0.52 0.00 0.00 54.79 53.80 3h5u n ASP 310 Cb 0.52 -3.36 -0.06 0.00 -0.72 0.00 0.00 41.12 37.50 3h5u n ASP 310 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h5u s THR 312 N -1.09 2.46 0.02 0.00 2.01 0.10 -4.98 115.64 114.17 3h5u s THR 312 Ca 0.27 -0.84 -0.00 0.00 0.31 0.00 0.00 61.69 61.43 3h5u s THR 312 Cb -0.19 -2.03 -0.04 0.00 0.01 0.00 0.00 72.50 70.26 3h5u s THR 312 CO 0.17 0.52 0.13 -0.04 -0.69 0.00 0.00 174.62 174.72 3h5u s MET 313 N 0.88 3.21 -0.12 4.92 -1.94 -1.26 -0.44 119.30 124.54 3h5u s MET 313 Ca -0.05 -0.47 -0.01 0.00 -1.71 0.00 0.00 55.69 53.46 3h5u s MET 313 Cb -0.15 -2.94 0.04 0.00 2.01 0.00 0.00 34.83 33.79 3h5u s MET 313 CO -0.02 0.63 -0.02 -1.17 -0.01 0.00 0.00 175.02 174.43 3h5u s LEU 314 N -2.06 1.04 -0.12 -0.03 2.96 -0.42 -4.37 118.68 115.67 3h5u s LEU 314 Ca 0.28 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 53.82 3h5u s LEU 314 Cb -0.12 -0.66 0.01 0.00 0.50 0.00 0.00 46.19 45.92 3h5u s LEU 314 CO 0.19 -0.19 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.17 3h5u s VAL 315 N 1.82 1.62 -0.37 1.68 1.01 -0.28 -1.82 120.40 124.07 3h5u s VAL 315 Ca 0.03 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.32 3h5u s VAL 315 Cb -0.14 -1.47 0.11 0.00 0.00 0.00 0.00 36.38 34.88 3h5u s VAL 315 CO -0.07 0.47 0.12 0.20 0.00 0.00 0.00 175.10 175.82 3h5u s ASN 316 N 0.98 4.28 1.49 3.32 -0.87 0.63 -1.32 114.94 123.46 3h5u s ASN 316 Ca -0.06 -2.18 0.00 0.00 -1.57 0.00 0.00 52.86 49.06 3h5u s ASN 316 Cb -0.15 -1.28 0.00 0.00 -0.02 0.00 0.00 41.25 39.80 3h5u s ASN 316 CO -0.02 -0.35 0.00 0.61 -2.57 0.00 0.00 177.10 174.76 3h5u n GLY 317 N 4.18 3.28 0.49 0.66 0.00 -1.26 -0.11 105.19 112.43 3h5u n GLY 317 Ca 0.03 0.26 0.14 0.00 0.00 0.00 0.00 46.02 46.45 3h5u n GLY 317 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3h5u n ASP 318 N 7.87 1.56 -4.67 1.61 5.68 -1.26 -3.67 116.55 123.66 3h5u n ASP 318 Ca 0.00 -1.47 -0.41 0.00 -0.50 0.00 0.00 54.79 52.41 3h5u n ASP 318 Cb 0.00 0.02 -0.05 0.00 -1.14 0.00 0.00 41.12 39.95 3h5u n ASP 318 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 3h5u s ASP 319 N -2.06 6.86 -0.05 -1.12 -1.08 0.84 -4.71 116.67 115.35 3h5u s ASP 319 Ca 0.36 1.04 0.01 0.00 -0.52 0.00 0.00 52.55 53.44 3h5u s ASP 319 Cb 0.21 -2.41 0.02 0.00 -1.46 0.00 0.00 42.92 39.28 3h5u s ASP 319 CO 0.35 -0.30 -0.04 -0.22 0.52 0.00 0.00 175.17 175.48 3h5u s LEU 320 N 1.84 1.23 -0.01 -1.34 2.96 -1.26 -0.27 118.68 121.82 3h5u s LEU 320 Ca 0.34 -0.12 0.05 0.00 -0.22 0.00 0.00 54.13 54.18 3h5u s LEU 320 Cb -0.16 -0.45 -0.01 0.00 0.50 0.00 0.00 46.19 46.06 3h5u s LEU 320 CO 0.12 -0.07 -0.15 0.54 -1.32 0.00 0.00 176.35 175.47 3h5u s VAL 321 N 1.07 1.17 -0.08 1.68 0.11 -0.76 -0.99 120.40 122.61 3h5u s VAL 321 Ca -0.09 -0.63 0.05 0.00 -2.93 0.00 0.00 61.98 58.38 3h5u s VAL 321 Cb -0.14 -0.97 -0.01 0.00 -1.53 0.00 0.00 36.38 33.73 3h5u s VAL 321 CO -0.01 0.33 -0.24 -0.69 -3.33 0.00 0.00 175.10 171.16 3h5u s VAL 322 N -0.35 2.02 -0.12 2.04 1.01 0.82 -1.31 120.40 124.51 3h5u s VAL 322 Ca 0.06 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.04 3h5u s VAL 322 Cb -0.06 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.60 3h5u s VAL 322 CO -0.01 0.56 -0.21 -0.63 0.00 0.00 0.00 175.10 174.81 3h5u s ILE 323 N 0.08 2.26 0.29 2.22 1.01 0.42 -0.81 121.20 126.68 3h5u s ILE 323 Ca -0.11 -0.93 0.04 0.00 0.00 0.00 0.00 60.65 59.65 3h5u s ILE 323 Cb -0.16 -1.90 -0.01 0.00 0.01 0.00 0.00 42.46 40.40 3h5u s ILE 323 CO 0.06 0.55 0.31 0.00 0.00 0.00 0.00 174.94 175.86 3h5u s GLU 325 N -2.98 4.70 0.14 0.00 0.41 -0.09 -1.18 118.70 119.70 3h5u s GLU 325 Ca 0.31 1.34 -0.25 0.00 -0.41 0.00 0.00 54.97 55.96 3h5u s GLU 325 Cb 0.01 -3.31 -0.07 0.00 -1.78 0.00 0.00 34.13 28.97 3h5u s GLU 325 CO 0.22 0.42 0.77 0.45 -0.49 0.00 0.00 175.26 176.63 3h5u s SER 326 N -0.73 7.35 -0.27 -0.19 0.15 0.46 -4.45 113.70 116.02 3h5u s SER 326 Ca 0.41 1.60 0.12 0.00 0.70 0.00 0.00 55.95 58.78 3h5u s SER 326 Cb -0.24 -2.49 0.62 0.00 -1.71 0.00 0.00 66.02 62.20 3h5u s SER 326 CO 0.29 0.17 1.61 0.00 1.20 0.00 0.00 173.24 176.51 3h5u n ALA 327 N 1.83 4.04 0.00 5.45 0.00 -1.26 -4.91 120.51 125.67 3h5u n ALA 327 Ca -0.05 -2.55 0.00 0.00 0.00 0.00 0.00 53.44 50.84 3h5u n ALA 327 Cb 0.49 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.98 3h5u n ALA 327 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h5u n GLY 328 N -0.54 -0.10 0.24 0.00 0.00 -1.26 -4.40 105.19 99.13 3h5u n GLY 328 Ca 0.34 -1.63 0.01 0.00 0.00 0.00 0.00 46.02 44.73 3h5u n GLY 328 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3h5u h THR 329 N 0.00 0.73 -0.08 2.61 1.35 -1.98 -0.53 112.91 115.00 3h5u h THR 329 Ca 0.00 -0.13 -0.19 0.00 -0.55 0.00 0.00 66.41 65.54 3h5u h THR 329 Cb 0.00 0.31 -0.00 0.00 -1.73 0.00 0.00 68.15 66.73 3h5u h THR 329 CO 0.00 0.07 -0.75 1.56 -0.25 0.00 0.00 175.52 176.15 3h5u h GLN 330 N 0.38 0.43 -0.09 4.72 1.08 -1.99 -0.93 115.11 118.70 3h5u h GLN 330 Ca 0.32 -0.36 -0.23 0.00 -1.45 0.00 0.00 58.65 56.93 3h5u h GLN 330 Cb 0.43 0.08 0.01 0.00 -0.05 0.00 0.00 27.48 27.95 3h5u h GLN 330 CO -0.34 1.00 -0.85 1.49 -0.95 0.00 0.00 178.83 179.18 3h5u h GLU 331 N 0.29 0.73 -0.91 1.46 4.57 -1.73 -2.37 114.58 116.61 3h5u h GLU 331 Ca -0.04 -0.67 0.05 0.00 -1.18 0.00 0.00 59.36 57.53 3h5u h GLU 331 Cb 1.34 0.16 -0.06 0.00 -0.16 0.00 0.00 28.75 30.03 3h5u h GLU 331 CO 0.13 1.26 0.60 -0.44 -1.18 0.00 0.00 179.01 179.38 3h5u h ASP 332 N 0.43 0.95 -0.41 1.04 3.32 -0.98 0.70 116.42 121.47 3h5u h ASP 332 Ca -0.08 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.88 3h5u h ASP 332 Cb 1.49 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 3h5u h ASP 332 CO 0.17 0.63 -0.07 0.00 -1.72 0.00 0.00 179.24 178.25 3h5u h ALA 333 N 1.49 0.56 -0.12 3.45 0.00 -1.08 -2.25 119.26 121.30 3h5u h ALA 333 Ca 0.38 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3h5u h ALA 333 Cb 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3h5u h ALA 333 CO -0.13 0.41 0.07 0.00 0.00 0.00 0.00 179.25 179.61 3h5u h ALA 334 N 0.86 0.15 -0.85 0.00 0.00 -0.84 -2.88 119.26 115.69 3h5u h ALA 334 Ca 0.11 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.11 3h5u h ALA 334 Cb 0.59 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.27 3h5u h ALA 334 CO 0.04 -0.37 0.49 0.77 0.00 0.00 0.00 179.25 180.18 3h5u h SER 335 N 0.15 0.70 -0.11 0.00 0.02 -0.75 -2.00 113.55 111.56 3h5u h SER 335 Ca 0.05 0.05 -0.10 0.00 -0.84 0.00 0.00 61.79 60.95 3h5u h SER 335 Cb -0.01 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3h5u h SER 335 CO -0.02 0.39 -0.24 -0.07 -1.14 0.00 0.00 176.83 175.75 3h5u h LEU 336 N 0.81 0.55 -0.71 5.07 3.38 -1.28 0.10 115.31 123.23 3h5u h LEU 336 Ca 0.41 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 3h5u h LEU 336 Cb 0.39 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3h5u h LEU 336 CO -0.26 0.79 0.34 0.03 0.09 0.00 0.00 178.44 179.44 3h5u h ARG 337 N 0.48 1.03 -0.47 1.13 3.08 -1.17 -0.41 114.38 118.05 3h5u h ARG 337 Ca 0.07 -0.15 -0.11 0.00 0.07 0.00 0.00 59.98 59.85 3h5u h ARG 337 Cb 0.68 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 3h5u h ARG 337 CO 0.05 0.81 -0.16 0.28 -1.07 0.00 0.00 179.97 179.88 3h5u h VAL 338 N 1.00 1.27 -0.52 2.04 2.07 -0.98 -0.93 116.25 120.20 3h5u h VAL 338 Ca 0.24 -1.29 0.05 0.00 0.82 0.00 0.00 66.70 66.52 3h5u h VAL 338 Cb 0.12 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 3h5u h VAL 338 CO -0.03 0.44 0.26 0.15 0.02 0.00 0.00 177.57 178.42 3h5u h PHE 339 N 0.80 0.48 -0.40 1.57 3.57 -0.50 -1.92 116.94 120.54 3h5u h PHE 339 Ca 0.12 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.49 3h5u h PHE 339 Cb 0.70 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.29 3h5u h PHE 339 CO 0.04 0.24 -0.35 1.15 -2.23 0.00 0.00 178.31 177.16 3h5u h THR 340 N 0.51 1.27 -0.90 4.41 2.02 -1.00 -1.68 112.91 117.54 3h5u h THR 340 Ca 0.23 -1.52 0.10 0.00 0.77 0.00 0.00 66.41 65.99 3h5u h THR 340 Cb 0.14 1.33 -0.07 0.00 -1.74 0.00 0.00 68.15 67.81 3h5u h THR 340 CO -0.16 0.51 0.58 -0.33 0.37 0.00 0.00 175.52 176.49 3h5u h GLU 341 N 0.76 0.87 0.01 6.66 5.08 -0.99 -0.63 114.58 126.35 3h5u h GLU 341 Ca 0.07 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.23 3h5u h GLU 341 Cb 0.93 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.99 3h5u h GLU 341 CO 0.09 0.58 -0.60 0.00 -1.00 0.00 0.00 179.01 178.07 3h5u h ALA 342 N 1.55 0.06 -0.65 3.43 0.00 -1.12 -2.20 119.26 120.33 3h5u h ALA 342 Ca 0.42 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3h5u h ALA 342 Cb 0.41 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3h5u h ALA 342 CO -0.18 0.34 0.32 0.52 0.00 0.00 0.00 179.25 180.24 3h5u h MET 343 N -0.15 0.92 -0.59 0.00 2.86 -1.25 -1.43 114.93 115.28 3h5u h MET 343 Ca -0.08 -0.12 -0.06 0.00 -2.06 0.00 0.00 59.70 57.38 3h5u h MET 343 Cb 1.33 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.79 3h5u h MET 343 CO 0.12 0.71 0.13 1.15 1.06 0.00 0.00 176.91 180.08 3h5u h THR 344 N 0.92 1.25 0.00 2.22 2.02 -1.07 0.24 112.91 118.49 3h5u h THR 344 Ca 0.23 -0.93 -0.07 0.00 0.77 0.00 0.00 66.41 66.41 3h5u h THR 344 Cb 0.09 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 3h5u h THR 344 CO -0.03 0.34 -0.34 0.03 0.37 0.00 0.00 175.52 175.90 3h5u h ARG 345 N 0.87 0.00 -0.01 6.66 3.08 -1.16 -1.68 114.38 122.13 3h5u h ARG 345 Ca 0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.23 3h5u h ARG 345 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 3h5u h ARG 345 CO 0.00 0.34 0.00 0.66 -1.07 0.00 0.00 179.97 179.90 3h5u n TYR 346 N -4.00 0.01 -0.47 3.04 4.01 -0.56 -0.68 117.16 118.52 3h5u n TYR 346 Ca -0.02 -0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 3h5u n TYR 346 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.42 3h5u n TYR 346 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3h5u n SER 347 N -0.64 -1.41 -3.52 7.72 3.41 -0.63 -4.92 113.62 113.64 3h5u n SER 347 Ca 0.21 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.49 3h5u n SER 347 Cb 0.17 -0.23 -0.04 0.00 -0.26 0.00 0.00 64.21 63.84 3h5u n SER 347 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3h5u n ALA 348 N -0.59 4.63 -1.68 7.33 0.00 0.75 -4.72 120.51 126.24 3h5u n ALA 348 Ca 0.00 -4.76 -0.30 0.00 0.00 0.00 0.00 53.44 48.38 3h5u n ALA 348 Cb 0.00 -1.36 0.07 0.00 0.00 0.00 0.00 19.45 18.16 3h5u n ALA 348 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3h5u s PRO 349 N -2.88 2.42 0.39 0.00 0.04 -1.26 -4.01 135.00 129.71 3h5u s PRO 349 Ca 0.39 0.59 -0.17 0.00 0.04 0.00 0.00 61.00 61.86 3h5u s PRO 349 Cb 0.15 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.63 3h5u s PRO 349 CO -0.01 -1.37 0.84 -1.25 0.04 0.00 0.00 177.00 175.25 3h5u s PRO 350 N -5.22 4.04 0.00 0.56 0.04 -1.26 -1.11 135.00 132.05 3h5u s PRO 350 Ca 0.60 0.83 0.00 0.00 0.04 0.00 0.00 61.00 62.46 3h5u s PRO 350 Cb -0.13 -2.31 0.00 0.00 0.04 0.00 0.00 34.50 32.10 3h5u s PRO 350 CO 0.53 0.02 0.00 0.41 0.04 0.00 0.00 177.00 178.00 3h5u n GLY 351 N -0.73 1.38 3.72 0.56 0.00 0.86 -4.40 105.19 106.58 3h5u n GLY 351 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3h5u n GLY 351 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3h5u s ASP 352 N -1.12 7.39 0.40 1.61 1.01 -1.26 -4.98 116.67 119.72 3h5u s ASP 352 Ca 0.00 1.83 -0.26 0.00 0.71 0.00 0.00 52.55 54.83 3h5u s ASP 352 Cb 0.00 -2.59 -0.09 0.00 1.01 0.00 0.00 42.92 41.26 3h5u s ASP 352 CO 0.00 -0.18 1.32 -2.16 0.21 0.00 0.00 175.17 174.36 3h5u s PRO 353 N 0.27 3.98 0.65 8.23 0.04 -1.26 -4.45 135.00 142.46 3h5u s PRO 353 Ca 0.50 2.20 -0.17 0.00 0.04 0.00 0.00 61.00 63.56 3h5u s PRO 353 Cb -0.24 -2.78 -0.00 0.00 0.04 0.00 0.00 34.50 31.52 3h5u s PRO 353 CO 0.30 -0.50 1.20 -1.25 0.04 0.00 0.00 177.00 176.79 3h5u s PRO 354 N -2.22 2.62 -0.02 0.56 0.04 -1.26 -5.03 135.00 129.68 3h5u s PRO 354 Ca 0.56 1.77 0.04 0.00 0.04 0.00 0.00 61.00 63.41 3h5u s PRO 354 Cb -0.39 -1.89 -0.01 0.00 0.04 0.00 0.00 34.50 32.25 3h5u s PRO 354 CO 0.50 -1.47 -0.15 1.14 0.04 0.00 0.00 177.00 177.07 3h5u s GLN 355 N -3.64 1.34 0.31 4.56 -2.07 -1.26 -4.99 119.66 113.91 3h5u s GLN 355 Ca 0.75 -0.52 -0.29 0.00 -1.82 0.00 0.00 55.36 53.49 3h5u s GLN 355 Cb -0.29 -1.24 -0.10 0.00 -1.09 0.00 0.00 33.01 30.29 3h5u s GLN 355 CO 0.39 0.26 1.27 -1.25 -1.32 0.00 0.00 175.29 174.64 3h5u s PRO 356 N -0.14 4.42 0.00 9.60 0.04 -1.26 -4.59 135.00 143.07 3h5u s PRO 356 Ca 0.01 2.12 0.07 0.00 0.04 0.00 0.00 61.00 63.24 3h5u s PRO 356 Cb -0.08 -3.11 -0.02 0.00 0.04 0.00 0.00 34.50 31.34 3h5u s PRO 356 CO 0.00 -0.11 -0.21 -1.21 0.04 0.00 0.00 177.00 175.52 3h5u s GLU 357 N -1.57 1.60 -0.03 4.56 0.41 0.52 -4.97 118.70 119.22 3h5u s GLU 357 Ca 0.49 -0.79 0.07 0.00 -0.41 0.00 0.00 54.97 54.32 3h5u s GLU 357 Cb -0.38 -1.59 0.16 0.00 -1.78 0.00 0.00 34.13 30.54 3h5u s GLU 357 CO 0.49 0.43 1.12 0.66 -0.49 0.00 0.00 175.26 177.47 3h5u n TYR 358 N 2.37 0.20 -3.69 1.61 4.01 -1.26 -1.09 117.16 119.31 3h5u n TYR 358 Ca -0.16 -0.59 -0.23 0.00 -0.16 0.00 0.00 57.90 56.77 3h5u n TYR 358 Cb 0.53 -0.07 -0.18 0.00 -0.31 0.00 0.00 39.34 39.31 3h5u n TYR 358 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3h5u s ASP 359 N -1.29 1.64 0.42 7.72 -1.08 -1.26 -4.99 116.67 117.83 3h5u s ASP 359 Ca 0.13 -0.17 0.12 0.00 -0.52 0.00 0.00 52.55 52.11 3h5u s ASP 359 Cb 0.09 -0.29 0.97 0.00 -1.46 0.00 0.00 42.92 42.24 3h5u s ASP 359 CO 0.05 -0.26 1.98 0.25 0.52 0.00 0.00 175.17 177.72 3h5u h LEU 360 N 8.39 0.42 -1.30 -1.34 5.85 -1.97 -1.01 115.31 124.34 3h5u h LEU 360 Ca -0.15 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.58 3h5u h LEU 360 Cb 1.13 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.07 3h5u h LEU 360 CO 0.22 0.26 0.00 -0.33 -0.34 0.00 0.00 178.44 178.25 3h5u h GLU 361 N 0.47 0.00 -0.02 1.25 5.08 -1.97 -2.39 114.58 117.00 3h5u h GLU 361 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 3h5u h GLU 361 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3h5u h GLU 361 CO -0.08 0.00 -0.01 1.28 -1.00 0.00 0.00 179.01 179.21 3h5u n LEU 362 N -2.60 1.95 -4.75 1.33 4.77 -0.38 -4.45 117.00 112.87 3h5u n LEU 362 Ca 0.01 -0.65 -0.38 0.00 -0.03 0.00 0.00 56.01 54.96 3h5u n LEU 362 Cb 0.21 -0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.23 3h5u n LEU 362 CO 0.21 0.33 0.13 -0.63 -1.33 0.00 0.00 177.39 176.09 3h5u s ILE 363 N -2.01 5.15 -0.20 -0.08 1.01 -0.90 -5.05 121.20 119.12 3h5u s ILE 363 Ca 0.35 0.88 -0.05 0.00 0.00 0.00 0.00 60.65 61.82 3h5u s ILE 363 Cb 0.21 -3.77 -0.02 0.00 0.01 0.00 0.00 42.46 38.88 3h5u s ILE 363 CO 0.33 0.41 0.00 -0.89 0.00 0.00 0.00 174.94 174.79 3h5u s THR 364 N 0.12 3.98 -0.06 2.92 2.01 -1.26 -4.16 115.64 119.20 3h5u s THR 364 Ca 0.24 -0.30 -0.12 0.00 0.31 0.00 0.00 61.69 61.81 3h5u s THR 364 Cb -0.15 -2.80 0.02 0.00 0.01 0.00 0.00 72.50 69.58 3h5u s THR 364 CO 0.10 0.43 0.30 -0.94 -0.69 0.00 0.00 174.62 173.82 3h5u s SER 365 N 0.99 -0.23 -1.59 3.53 1.04 -0.21 -4.72 113.70 112.50 3h5u s SER 365 Ca 0.02 0.31 -0.17 0.00 0.48 0.00 0.00 55.95 56.59 3h5u s SER 365 Cb -0.14 0.46 0.15 0.00 0.10 0.00 0.00 66.02 66.59 3h5u s SER 365 CO 0.02 -0.28 0.68 0.00 0.98 0.00 0.00 173.24 174.63 3h5u n SER 367 N -2.50 -5.04 -4.22 0.00 7.64 -1.26 -4.97 113.62 103.26 3h5u n SER 367 Ca 0.07 0.20 -0.16 0.00 1.01 0.00 0.00 58.87 59.99 3h5u n SER 367 Cb 0.49 -3.26 -0.11 0.00 -1.01 0.00 0.00 64.21 60.32 3h5u n SER 367 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3h5u s SER 368 N -2.43 1.78 0.13 6.43 0.01 -0.29 -4.68 113.70 114.65 3h5u s SER 368 Ca 0.00 -0.82 0.08 0.00 1.31 0.00 0.00 55.95 56.52 3h5u s SER 368 Cb 0.00 -0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.16 3h5u s SER 368 CO 0.00 -0.20 -0.19 0.54 0.41 0.00 0.00 173.24 173.81 3h5u s ASN 369 N -2.48 2.48 0.32 2.44 4.22 0.09 -1.04 114.94 120.97 3h5u s ASN 369 Ca 0.08 -0.77 -0.29 0.00 -2.14 0.00 0.00 52.86 49.74 3h5u s ASN 369 Cb -0.04 -0.13 -0.10 0.00 1.28 0.00 0.00 41.25 42.26 3h5u s ASN 369 CO 0.02 -0.01 1.25 -0.69 -2.04 0.00 0.00 177.10 175.63 3h5u s VAL 370 N -1.64 2.90 0.31 3.54 1.01 -1.26 -1.34 120.40 123.92 3h5u s VAL 370 Ca 0.10 0.90 0.01 0.00 0.00 0.00 0.00 61.98 62.99 3h5u s VAL 370 Cb -0.08 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 3h5u s VAL 370 CO 0.05 0.21 0.34 -0.55 0.00 0.00 0.00 175.10 175.15 3h5u s SER 371 N -0.60 0.98 -0.05 3.32 0.15 0.05 -4.37 113.70 113.18 3h5u s SER 371 Ca 0.48 -1.53 0.03 0.00 0.70 0.00 0.00 55.95 55.63 3h5u s SER 371 Cb -0.38 0.57 0.01 0.00 -1.71 0.00 0.00 66.02 64.51 3h5u s SER 371 CO 0.50 -1.12 -0.12 0.54 1.20 0.00 0.00 173.24 174.24 3h5u s VAL 372 N -3.47 1.08 0.00 4.45 0.11 -1.26 -1.21 120.40 120.10 3h5u s VAL 372 Ca 0.35 -0.48 0.00 0.00 -2.93 0.00 0.00 61.98 58.92 3h5u s VAL 372 Cb 0.02 -0.97 0.00 0.00 -1.53 0.00 0.00 36.38 33.90 3h5u s VAL 372 CO 0.21 0.33 0.00 0.00 -3.33 0.00 0.00 175.10 172.31 3h5u n ALA 373 N 3.53 0.00 -2.73 1.54 0.00 -0.76 -3.10 120.51 118.99 3h5u n ALA 373 Ca -0.21 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.06 3h5u n ALA 373 Cb 0.53 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.84 3h5u n ALA 373 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3h5u s HIS 374 N -0.64 0.77 0.20 0.00 3.76 0.56 -1.09 115.29 118.84 3h5u s HIS 374 Ca 0.00 -0.25 -0.02 0.00 -0.15 0.00 0.00 55.06 54.64 3h5u s HIS 374 Cb 0.00 -0.48 0.04 0.00 1.11 0.00 0.00 32.58 33.26 3h5u s HIS 374 CO 0.00 -0.02 0.27 -0.40 -0.85 0.00 0.00 174.74 173.75 3h5u n ASP 375 N 2.39 0.13 0.15 1.40 5.75 -0.33 -0.40 116.55 125.65 3h5u n ASP 375 Ca -0.16 -1.16 0.15 0.00 -0.01 0.00 0.00 54.79 53.60 3h5u n ASP 375 Cb 0.56 -0.20 0.72 0.00 -1.03 0.00 0.00 41.12 41.17 3h5u n ASP 375 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3h5u h ALA 376 N -1.41 2.11 -0.20 2.12 0.00 -1.90 -2.08 119.26 117.91 3h5u h ALA 376 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3h5u h ALA 376 Cb 0.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3h5u h ALA 376 CO 0.07 -0.31 0.00 0.43 0.00 0.00 0.00 179.25 179.45 3h5u n SER 377 N -4.27 2.41 0.00 0.00 7.64 -1.26 -4.91 113.62 113.22 3h5u n SER 377 Ca 0.03 -1.82 0.00 0.00 1.01 0.00 0.00 58.87 58.09 3h5u n SER 377 Cb 0.33 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.41 3h5u n SER 377 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3h5u n GLY 378 N 1.29 0.99 3.73 0.23 0.00 -0.78 -5.03 105.19 105.62 3h5u n GLY 378 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3h5u n GLY 378 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h5u s LYS 379 N -0.34 4.38 0.22 1.61 2.20 -1.26 -4.70 119.74 121.85 3h5u s LYS 379 Ca 0.00 2.01 -0.32 0.00 -0.36 0.00 0.00 55.97 57.31 3h5u s LYS 379 Cb 0.00 -3.23 -0.12 0.00 -1.51 0.00 0.00 37.83 32.96 3h5u s LYS 379 CO 0.00 -0.30 1.66 0.54 -0.36 0.00 0.00 175.35 176.89 3h5u n ARG 380 N 3.19 2.63 -4.44 4.03 1.74 -1.26 -1.18 116.66 121.36 3h5u n ARG 380 Ca 0.08 0.94 -0.24 0.00 -0.77 0.00 0.00 57.85 57.87 3h5u n ARG 380 Cb 0.43 -2.76 -0.17 0.00 -1.02 0.00 0.00 32.46 28.95 3h5u n ARG 380 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3h5u s VAL 381 N 0.85 0.99 0.27 1.55 0.11 -0.25 -4.90 120.40 119.02 3h5u s VAL 381 Ca 0.73 -0.38 -0.25 0.00 -2.93 0.00 0.00 61.98 59.15 3h5u s VAL 381 Cb -0.54 -0.93 -0.09 0.00 -1.53 0.00 0.00 36.38 33.29 3h5u s VAL 381 CO 0.37 0.33 0.86 -0.31 -3.33 0.00 0.00 175.10 173.02 3h5u s TYR 382 N 0.80 3.74 0.20 1.54 2.02 -1.26 -1.82 117.35 122.56 3h5u s TYR 382 Ca -0.12 1.68 -0.16 0.00 -0.37 0.00 0.00 57.07 58.09 3h5u s TYR 382 Cb -0.15 -2.83 0.02 0.00 -0.40 0.00 0.00 41.96 38.60 3h5u s TYR 382 CO 0.02 0.31 0.50 1.52 -1.57 0.00 0.00 175.55 176.33 3h5u s TYR 383 N -1.49 -0.04 -0.20 2.71 1.13 -0.35 -4.98 117.35 114.13 3h5u s TYR 383 Ca 0.45 -0.31 -0.10 0.00 -1.41 0.00 0.00 57.07 55.71 3h5u s TYR 383 Cb -0.19 0.35 -0.05 0.00 -1.10 0.00 0.00 41.96 40.96 3h5u s TYR 383 CO 0.24 -0.91 0.13 -0.51 -2.51 0.00 0.00 175.55 171.99 3h5u s LEU 384 N -2.89 4.20 0.40 -3.49 1.43 -1.26 -0.77 118.68 116.29 3h5u s LEU 384 Ca 0.11 0.23 0.05 0.00 -1.03 0.00 0.00 54.13 53.48 3h5u s LEU 384 Cb -0.01 -2.09 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 3h5u s LEU 384 CO -0.02 0.18 0.18 0.28 0.23 0.00 0.00 176.35 177.21 3h5u s THR 385 N 0.36 0.37 0.27 5.49 -1.32 -0.45 -4.76 115.64 115.60 3h5u s THR 385 Ca 0.08 -2.00 -0.20 0.00 -1.21 0.00 0.00 61.69 58.36 3h5u s THR 385 Cb -0.11 -2.34 0.02 0.00 -1.51 0.00 0.00 72.50 68.57 3h5u s THR 385 CO -0.02 0.00 0.69 0.00 -2.21 0.00 0.00 174.62 173.08 3h5u s ARG 386 N -3.59 1.73 0.14 7.08 1.70 -1.26 -0.73 118.95 124.01 3h5u s ARG 386 Ca 0.27 -0.98 -0.31 0.00 -0.47 0.00 0.00 55.73 54.24 3h5u s ARG 386 Cb 0.02 0.59 -0.11 0.00 -0.57 0.00 0.00 34.95 34.88 3h5u s ARG 386 CO 0.18 -0.78 1.80 0.34 -1.08 0.00 0.00 175.30 175.76 3h5u s ASP 387 N -2.92 6.43 0.00 -2.89 -1.08 -1.26 -4.90 116.67 110.05 3h5u s ASP 387 Ca 0.11 2.76 0.11 0.00 -0.52 0.00 0.00 52.55 55.02 3h5u s ASP 387 Cb -0.05 -2.57 0.47 0.00 -1.46 0.00 0.00 42.92 39.30 3h5u s ASP 387 CO 0.06 -0.99 1.33 -0.81 0.52 0.00 0.00 175.17 175.28 3h5u n PRO 388 N 5.37 1.39 0.01 4.34 -0.04 -1.26 -4.39 135.00 140.43 3h5u n PRO 388 Ca 0.17 -0.61 -0.11 0.00 -0.04 0.00 0.00 63.50 62.92 3h5u n PRO 388 Cb 0.38 -1.22 -0.04 0.00 -0.04 0.00 0.00 33.50 32.58 3h5u n PRO 388 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3h5u h THR 389 N 1.07 0.32 -0.10 0.52 2.02 -1.95 -0.50 112.91 114.30 3h5u h THR 389 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 3h5u h THR 389 Cb 0.24 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 66.97 3h5u h THR 389 CO 0.00 0.00 -0.02 0.74 0.37 0.00 0.00 175.52 176.61 3h5u h THR 390 N -0.39 1.29 -0.99 3.16 2.02 -1.97 0.09 112.91 116.13 3h5u h THR 390 Ca 0.09 -0.95 0.21 0.00 0.77 0.00 0.00 66.41 66.53 3h5u h THR 390 Cb 0.53 1.72 -0.11 0.00 -1.74 0.00 0.00 68.15 68.54 3h5u h THR 390 CO -0.32 0.27 0.58 -0.65 0.37 0.00 0.00 175.52 175.77 3h5u h PRO 391 N -0.13 0.65 0.00 6.66 0.11 -1.82 0.46 132.00 137.93 3h5u h PRO 391 Ca 0.03 -0.04 -0.24 0.00 0.11 0.00 0.00 66.00 65.86 3h5u h PRO 391 Cb 0.43 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 31.40 3h5u h PRO 391 CO 0.01 0.43 -0.98 -0.07 -0.21 0.00 0.00 178.00 177.18 3h5u h LEU 392 N 0.67 0.64 -0.67 2.35 3.38 -0.80 -0.42 115.31 120.45 3h5u h LEU 392 Ca 0.60 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3h5u h LEU 392 Cb 1.01 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.53 3h5u h LEU 392 CO -0.42 1.32 0.36 0.00 0.09 0.00 0.00 178.44 179.78 3h5u h ALA 393 N 0.64 0.87 -0.43 1.53 0.00 -0.63 -1.58 119.26 119.65 3h5u h ALA 393 Ca -0.10 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 3h5u h ALA 393 Cb 1.62 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3h5u h ALA 393 CO 0.18 0.39 -0.23 0.00 0.00 0.00 0.00 179.25 179.58 3h5u h ARG 394 N 0.93 0.89 -0.71 0.00 3.08 -0.87 -2.46 114.38 115.23 3h5u h ARG 394 Ca 0.24 -0.38 0.06 0.00 0.07 0.00 0.00 59.98 59.97 3h5u h ARG 394 Cb 0.05 -0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.01 3h5u h ARG 394 CO -0.04 1.03 0.41 0.00 -1.07 0.00 0.00 179.97 180.30 3h5u h ALA 395 N 0.96 0.96 -0.87 0.04 0.00 -0.96 0.43 119.26 119.83 3h5u h ALA 395 Ca 0.10 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.07 3h5u h ALA 395 Cb 0.78 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 3h5u h ALA 395 CO 0.06 0.09 0.55 0.00 0.00 0.00 0.00 179.25 179.96 3h5u h ALA 396 N 1.37 1.18 -0.42 0.00 0.00 -1.01 0.36 119.26 120.74 3h5u h ALA 396 Ca 0.32 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 3h5u h ALA 396 Cb 0.20 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3h5u h ALA 396 CO -0.19 0.35 -0.15 2.35 0.00 0.00 0.00 179.25 181.61 3h5u h TRP 397 N 1.04 0.95 0.00 0.00 2.91 -0.85 -3.03 115.95 116.97 3h5u h TRP 397 Ca 0.37 -0.22 0.00 0.00 1.13 0.00 0.00 58.89 60.17 3h5u h TRP 397 Cb 0.10 -0.23 0.00 0.00 -0.51 0.00 0.00 29.16 28.52 3h5u h TRP 397 CO -0.02 0.97 0.00 0.39 -1.03 0.00 0.00 178.44 178.75 3h5u n GLU 398 N -4.26 0.10 0.14 2.65 1.02 0.05 -1.47 120.64 118.87 3h5u n GLU 398 Ca -0.01 0.14 -0.01 0.00 -0.02 0.00 0.00 57.16 57.27 3h5u n GLU 398 Cb 0.40 -1.63 0.24 0.00 -0.02 0.00 0.00 31.44 30.43 3h5u n GLU 398 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3h5u h THR 399 N 0.00 1.35 0.00 2.62 2.02 -0.81 -3.33 112.91 114.77 3h5u h THR 399 Ca 0.00 -1.70 0.00 0.00 0.77 0.00 0.00 66.41 65.48 3h5u h THR 399 Cb 0.52 1.88 0.00 0.00 -1.74 0.00 0.00 68.15 68.82 3h5u h THR 399 CO 0.00 0.49 -0.78 0.00 0.37 0.00 0.00 175.52 175.60 3h5u n ALA 400 N -2.45 3.45 -3.73 6.16 0.00 -0.84 -4.90 120.51 118.20 3h5u n ALA 400 Ca -0.02 -0.35 -0.14 0.00 0.00 0.00 0.00 53.44 52.93 3h5u n ALA 400 Cb 0.52 -0.46 -0.15 0.00 0.00 0.00 0.00 19.45 19.36 3h5u n ALA 400 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3h5u s ARG 401 N -2.33 0.06 -0.23 0.00 1.81 -0.54 -4.93 118.95 112.79 3h5u s ARG 401 Ca 0.03 0.32 -0.29 0.00 -1.72 0.00 0.00 55.73 54.07 3h5u s ARG 401 Cb 0.09 -0.19 0.00 0.00 -0.45 0.00 0.00 34.95 34.40 3h5u s ARG 401 CO 0.53 -0.16 1.17 -1.01 -0.68 0.00 0.00 175.30 175.14 3h5u s HIS 402 N 1.12 3.04 0.20 -0.53 3.76 -1.26 -4.24 115.29 117.37 3h5u s HIS 402 Ca -0.09 1.17 0.06 0.00 -0.15 0.00 0.00 55.06 56.06 3h5u s HIS 402 Cb -0.12 -3.50 -0.04 0.00 1.11 0.00 0.00 32.58 30.03 3h5u s HIS 402 CO -0.05 -1.15 0.14 0.95 -0.85 0.00 0.00 174.74 173.78 3h5u s THR 403 N 3.54 4.38 0.40 1.30 -4.23 -1.26 -5.02 115.64 114.74 3h5u s THR 403 Ca 0.50 -1.24 0.07 0.00 -1.18 0.00 0.00 61.69 59.83 3h5u s THR 403 Cb -0.17 -3.28 0.27 0.00 1.34 0.00 0.00 72.50 70.65 3h5u s THR 403 CO 0.13 -0.20 2.05 1.55 -0.54 0.00 0.00 174.62 177.61 3h5u h PRO 404 N 2.12 0.58 -5.06 3.99 0.13 -1.96 -3.38 132.00 128.42 3h5u h PRO 404 Ca -0.48 -0.03 -0.67 0.00 -0.87 0.00 0.00 66.00 63.95 3h5u h PRO 404 Cb 1.21 -0.13 -0.33 0.00 0.13 0.00 0.00 31.00 31.88 3h5u h PRO 404 CO 0.62 0.38 -0.82 0.08 -0.23 0.00 0.00 178.00 178.03 3h5u s VAL 405 N -5.53 2.41 -0.95 1.56 1.01 -1.26 -4.71 120.40 112.93 3h5u s VAL 405 Ca -0.09 -0.82 -0.20 0.00 0.00 0.00 0.00 61.98 60.87 3h5u s VAL 405 Cb 0.18 -2.04 0.11 0.00 0.00 0.00 0.00 36.38 34.63 3h5u s VAL 405 CO 0.74 0.51 1.21 0.20 0.00 0.00 0.00 175.10 177.76 3h5u s ASN 406 N 1.29 6.58 0.52 3.32 0.01 -1.01 -4.86 114.94 120.80 3h5u s ASN 406 Ca 0.04 -1.85 0.30 0.00 -0.71 0.00 0.00 52.86 50.64 3h5u s ASN 406 Cb -0.14 -2.45 1.35 0.00 0.41 0.00 0.00 41.25 40.43 3h5u s ASN 406 CO -0.09 -1.20 2.00 0.77 -1.51 0.00 0.00 177.10 177.06 3h5u h SER 407 N 9.12 0.00 -0.45 -1.22 4.64 -1.94 -2.49 113.55 121.22 3h5u h SER 407 Ca 0.16 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.38 3h5u h SER 407 Cb 1.02 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.09 3h5u h SER 407 CO 1.20 0.11 -0.08 4.11 -0.87 0.00 0.00 176.83 181.30 3h5u h TRP 408 N 0.00 0.99 -0.37 4.77 5.08 -1.90 0.05 115.95 124.56 3h5u h TRP 408 Ca -0.00 -0.18 -0.10 0.00 1.08 0.00 0.00 58.89 59.69 3h5u h TRP 408 Cb 0.49 -0.25 -0.01 0.00 -3.00 0.00 0.00 29.16 26.38 3h5u h TRP 408 CO 0.00 0.93 -0.14 1.25 -1.28 0.00 0.00 178.44 179.19 3h5u h LEU 409 N 0.81 0.77 -0.67 0.11 5.85 -1.84 0.96 115.31 121.31 3h5u h LEU 409 Ca 0.14 -0.39 0.01 0.00 0.84 0.00 0.00 57.88 58.48 3h5u h LEU 409 Cb 0.59 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 3h5u h LEU 409 CO 0.04 0.99 0.44 1.23 -0.34 0.00 0.00 178.44 180.80 3h5u h GLY 410 N 0.56 0.94 1.30 3.75 0.00 -1.33 -1.37 103.07 106.92 3h5u h GLY 410 Ca 0.09 -0.35 -0.14 0.00 0.00 0.00 0.00 47.33 46.93 3h5u h GLY 410 CO 0.05 0.34 -0.35 3.43 0.00 0.00 0.00 176.54 180.01 3h5u h ASN 411 N 0.90 0.82 -0.59 0.19 2.35 -0.81 -1.22 115.58 117.22 3h5u h ASN 411 Ca 0.25 -0.35 -0.06 0.00 -0.55 0.00 0.00 56.30 55.59 3h5u h ASN 411 Cb -0.10 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.02 3h5u h ASN 411 CO -0.06 1.09 0.15 0.40 -1.65 0.00 0.00 177.43 177.37 3h5u h ILE 412 N 0.65 1.25 0.05 2.81 2.04 -0.66 0.98 117.51 124.62 3h5u h ILE 412 Ca 0.06 -0.89 -0.00 0.00 1.00 0.00 0.00 64.86 65.03 3h5u h ILE 412 Cb 0.90 0.69 0.00 0.00 -0.74 0.00 0.00 36.82 37.67 3h5u h ILE 412 CO 0.08 0.33 -0.02 0.40 0.00 0.00 0.00 178.15 178.94 3h5u h ILE 413 N 0.86 1.08 0.00 -0.67 2.04 -1.05 -0.99 117.51 118.77 3h5u h ILE 413 Ca 0.19 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 3h5u h ILE 413 Cb 0.34 1.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.76 3h5u h ILE 413 CO 0.00 0.10 -0.69 0.24 0.00 0.00 0.00 178.15 177.81 3h5u h MET 414 N -0.24 0.00 -0.01 2.37 2.86 -1.23 -3.31 114.93 115.37 3h5u h MET 414 Ca -0.01 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3h5u h MET 414 Cb 0.21 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.87 3h5u h MET 414 CO 0.01 0.00 -0.16 0.66 1.06 0.00 0.00 176.91 178.48 3h5u n TYR 415 N -2.82 0.02 -0.35 -0.22 4.01 0.33 -4.86 117.16 113.29 3h5u n TYR 415 Ca 0.01 -1.17 0.23 0.00 -0.16 0.00 0.00 57.90 56.82 3h5u n TYR 415 Cb 0.55 -0.19 0.49 0.00 -0.31 0.00 0.00 39.34 39.87 3h5u n TYR 415 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3h5u h ALA 416 N 0.36 2.13 0.00 -0.72 0.00 -1.27 -0.94 119.26 118.82 3h5u h ALA 416 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3h5u h ALA 416 Cb 1.01 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3h5u h ALA 416 CO 0.01 -0.62 0.00 -2.30 0.00 0.00 0.00 179.25 176.34 3h5u n PRO 417 N -4.77 0.48 -2.39 0.00 -0.02 -1.26 -4.49 135.00 122.54 3h5u n PRO 417 Ca 0.28 0.03 -0.32 0.00 -2.02 0.00 0.00 63.50 61.47 3h5u n PRO 417 Cb 0.93 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.88 3h5u n PRO 417 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3h5u s THR 418 N -2.44 4.40 0.15 3.45 -4.23 -0.36 -4.93 115.64 111.69 3h5u s THR 418 Ca 0.28 1.19 -0.16 0.00 -1.18 0.00 0.00 61.69 61.83 3h5u s THR 418 Cb 0.18 -3.66 0.02 0.00 1.34 0.00 0.00 72.50 70.38 3h5u s THR 418 CO 0.38 -0.62 1.76 0.25 -0.54 0.00 0.00 174.62 175.85 3h5u h LEU 419 N 0.96 0.53 -0.42 4.79 5.85 -1.89 -2.75 115.31 122.38 3h5u h LEU 419 Ca -0.47 -0.08 -0.18 0.00 0.84 0.00 0.00 57.88 57.99 3h5u h LEU 419 Cb 1.19 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.08 3h5u h LEU 419 CO 0.61 0.46 -0.66 4.11 -0.34 0.00 0.00 178.44 182.62 3h5u h TRP 420 N 0.56 0.69 -0.44 1.25 5.08 -1.93 -1.34 115.95 119.83 3h5u h TRP 420 Ca 0.15 -0.28 -0.10 0.00 1.08 0.00 0.00 58.89 59.75 3h5u h TRP 420 Cb 0.04 -0.12 -0.01 0.00 -3.00 0.00 0.00 29.16 26.07 3h5u h TRP 420 CO -0.03 1.04 -0.10 0.00 -1.28 0.00 0.00 178.44 178.07 3h5u h ALA 421 N 0.89 0.61 -0.03 0.11 0.00 -1.81 -1.83 119.26 117.20 3h5u h ALA 421 Ca -0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 3h5u h ALA 421 Cb 1.23 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 3h5u h ALA 421 CO 0.12 0.49 -0.05 0.00 0.00 0.00 0.00 179.25 179.82 3h5u h ARG 422 N 0.69 0.09 0.12 0.00 3.08 -1.40 -0.63 114.38 116.33 3h5u h ARG 422 Ca 0.11 -0.05 -0.28 0.00 0.07 0.00 0.00 59.98 59.83 3h5u h ARG 422 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.69 3h5u h ARG 422 CO 0.04 0.59 -1.32 0.52 -1.07 0.00 0.00 179.97 178.74 3h5u h MET 423 N -0.41 0.26 0.00 0.04 2.86 -1.32 -3.35 114.93 113.01 3h5u h MET 423 Ca 0.00 -0.45 0.00 0.00 -2.06 0.00 0.00 59.70 57.20 3h5u h MET 423 Cb 0.58 0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.41 3h5u h MET 423 CO 0.01 1.19 -0.80 -0.89 1.06 0.00 0.00 176.91 177.48 3h5u n ILE 424 N -3.51 1.32 -0.06 -1.22 5.41 -0.71 -4.24 119.36 116.35 3h5u n ILE 424 Ca -0.10 0.20 -0.11 0.00 1.00 0.00 0.00 62.75 63.73 3h5u n ILE 424 Cb 1.03 -2.18 -0.05 0.00 -0.71 0.00 0.00 39.64 37.73 3h5u n ILE 424 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3h5u h LEU 425 N -0.80 0.31 -0.52 1.39 3.38 -1.33 -1.23 115.31 116.51 3h5u h LEU 425 Ca 0.00 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 3h5u h LEU 425 Cb 0.80 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 3h5u h LEU 425 CO 0.00 0.48 0.23 0.24 0.09 0.00 0.00 178.44 179.49 3h5u h MET 426 N 0.13 0.76 0.14 1.13 2.86 -1.26 -1.97 114.93 116.71 3h5u h MET 426 Ca 0.06 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 3h5u h MET 426 Cb 0.30 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.83 3h5u h MET 426 CO 0.00 0.64 -0.07 1.15 1.06 0.00 0.00 176.91 179.70 3h5u h THR 427 N 0.70 0.89 0.20 2.22 2.02 -1.66 -1.61 112.91 115.66 3h5u h THR 427 Ca 0.18 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.23 3h5u h THR 427 Cb 0.15 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 3h5u h THR 427 CO -0.02 0.03 -0.10 -0.74 0.37 0.00 0.00 175.52 175.06 3h5u h HIS 428 N -0.24 -0.25 0.05 3.16 6.17 -1.20 -2.02 115.15 120.82 3h5u h HIS 428 Ca -0.02 -0.01 -0.23 0.00 0.71 0.00 0.00 60.37 60.83 3h5u h HIS 428 Cb 0.19 0.08 -0.01 0.00 2.52 0.00 0.00 27.41 30.19 3h5u h HIS 428 CO -0.05 -0.15 -1.04 0.74 0.71 0.00 0.00 177.93 178.14 3h5u h PHE 429 N -0.28 0.30 -0.42 5.26 0.04 -1.34 -2.20 116.94 118.29 3h5u h PHE 429 Ca -0.03 -0.19 -0.05 0.00 2.80 0.00 0.00 57.97 60.49 3h5u h PHE 429 Cb 0.22 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.32 3h5u h PHE 429 CO -0.06 1.10 0.04 0.74 -0.60 0.00 0.00 178.31 179.52 3h5u h PHE 430 N 0.07 0.68 -0.49 -0.55 -1.00 -1.33 -1.24 116.94 113.09 3h5u h PHE 430 Ca -0.07 -0.07 0.04 0.00 2.81 0.00 0.00 57.97 60.68 3h5u h PHE 430 Cb 1.74 -0.20 -0.04 0.00 3.61 0.00 0.00 35.95 41.07 3h5u h PHE 430 CO 0.03 0.63 0.24 1.03 -1.61 0.00 0.00 178.31 178.64 3h5u h SER 431 N 0.63 0.35 -0.55 2.17 0.87 -1.06 -0.78 113.55 115.18 3h5u h SER 431 Ca 0.13 0.03 -0.11 0.00 -1.23 0.00 0.00 61.79 60.62 3h5u h SER 431 Cb 0.34 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 3h5u h SER 431 CO 0.01 0.24 -0.07 0.40 -0.53 0.00 0.00 176.83 176.88 3h5u h ILE 432 N 0.48 1.27 -0.08 2.23 2.04 -1.05 -2.63 117.51 119.76 3h5u h ILE 432 Ca 0.21 -1.22 -0.17 0.00 1.00 0.00 0.00 64.86 64.69 3h5u h ILE 432 Cb 0.12 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 3h5u h ILE 432 CO -0.15 0.43 -0.67 -0.07 0.00 0.00 0.00 178.15 177.69 3h5u h LEU 433 N 0.90 0.41 0.12 1.44 3.38 -0.95 -2.25 115.31 118.36 3h5u h LEU 433 Ca 0.15 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.87 3h5u h LEU 433 Cb 0.63 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3h5u h LEU 433 CO 0.04 0.97 -0.14 -0.07 0.09 0.00 0.00 178.44 179.32 3h5u h LEU 434 N 0.25 -0.38 -1.04 1.67 3.38 -1.13 0.43 115.31 118.48 3h5u h LEU 434 Ca -0.02 0.04 0.10 0.00 0.09 0.00 0.00 57.88 58.10 3h5u h LEU 434 Cb 1.22 0.14 -0.08 0.00 0.09 0.00 0.00 40.66 42.03 3h5u h LEU 434 CO 0.11 -0.21 0.63 0.00 0.09 0.00 0.00 178.44 179.06 3h5u h ALA 435 N 0.55 1.51 -0.17 1.53 0.00 -1.30 -1.73 119.26 119.64 3h5u h ALA 435 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3h5u h ALA 435 Cb 0.30 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3h5u h ALA 435 CO -0.06 0.28 0.00 1.04 0.00 0.00 0.00 179.25 180.51 3h5u n GLN 436 N -4.57 2.12 -4.02 0.00 1.13 -0.86 -4.96 117.38 106.22 3h5u n GLN 436 Ca 0.17 -1.66 -0.29 0.00 -1.94 0.00 0.00 57.00 53.28 3h5u n GLN 436 Cb 0.30 -1.46 -0.02 0.00 0.11 0.00 0.00 30.24 29.17 3h5u n GLN 436 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 3h5u n GLU 437 N 0.94 -3.58 -0.55 -1.09 1.02 -0.60 -4.91 120.64 111.87 3h5u n GLU 437 Ca 0.17 0.43 0.06 0.00 -0.02 0.00 0.00 57.16 57.79 3h5u n GLU 437 Cb 0.49 -4.83 0.26 0.00 -0.02 0.00 0.00 31.44 27.34 3h5u n GLU 437 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3h5u n GLN 438 N -4.42 2.89 -0.36 3.49 6.02 0.04 -4.70 117.38 120.33 3h5u n GLN 438 Ca -0.16 -2.92 0.07 0.00 -0.01 0.00 0.00 57.00 53.98 3h5u n GLN 438 Cb 0.61 -1.88 0.23 0.00 1.02 0.00 0.00 30.24 30.22 3h5u n GLN 438 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3h5u h LEU 439 N 1.82 0.95 -0.64 1.08 3.38 -1.91 -1.92 115.31 118.07 3h5u h LEU 439 Ca 0.05 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3h5u h LEU 439 Cb 1.56 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 42.16 3h5u h LEU 439 CO 0.29 0.52 0.00 -0.62 0.09 0.00 0.00 178.44 178.72 3h5u n GLU 440 N -4.60 1.43 -2.92 1.13 1.02 -1.26 -3.09 120.64 112.36 3h5u n GLU 440 Ca 0.19 -0.64 -0.41 0.00 -0.02 0.00 0.00 57.16 56.27 3h5u n GLU 440 Cb 0.33 -1.46 -0.04 0.00 -0.02 0.00 0.00 31.44 30.25 3h5u n GLU 440 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 3h5u s LYS 441 N -1.97 4.21 0.06 3.49 2.20 -0.72 -4.90 119.74 122.11 3h5u s LYS 441 Ca 0.39 0.92 -0.31 0.00 -0.36 0.00 0.00 55.97 56.62 3h5u s LYS 441 Cb 0.20 -3.62 -0.07 0.00 -1.51 0.00 0.00 37.83 32.83 3h5u s LYS 441 CO 0.32 -0.45 1.45 0.00 -0.36 0.00 0.00 175.35 176.32 3h5u s ALA 442 N 2.59 3.61 0.09 3.13 0.00 -1.26 -4.39 121.76 125.54 3h5u s ALA 442 Ca 0.35 1.05 0.08 0.00 0.00 0.00 0.00 51.96 53.44 3h5u s ALA 442 Cb -0.16 -3.60 -0.04 0.00 0.00 0.00 0.00 23.12 19.33 3h5u s ALA 442 CO 0.09 -0.84 -0.16 -0.51 0.00 0.00 0.00 175.76 174.34 3h5u s LEU 443 N 1.94 2.78 0.07 0.00 1.43 0.01 -4.83 118.68 120.08 3h5u s LEU 443 Ca 0.66 -0.47 -0.19 0.00 -1.03 0.00 0.00 54.13 53.10 3h5u s LEU 443 Cb -0.35 -1.62 -0.07 0.00 0.03 0.00 0.00 46.19 44.18 3h5u s LEU 443 CO 0.29 0.20 0.57 -1.81 0.23 0.00 0.00 176.35 175.83 3h5u s ASP 444 N -1.97 7.06 0.22 2.29 1.01 -1.26 -0.85 116.67 123.17 3h5u s ASP 444 Ca 0.18 1.26 -0.06 0.00 0.71 0.00 0.00 52.55 54.64 3h5u s ASP 444 Cb -0.11 -2.36 -0.02 0.00 1.01 0.00 0.00 42.92 41.44 3h5u s ASP 444 CO 0.10 0.27 0.28 0.00 0.21 0.00 0.00 175.17 176.03 3h5u s GLN 446 N -4.09 2.78 -0.15 0.00 -0.21 -1.26 -0.12 119.66 116.60 3h5u s GLN 446 Ca 0.31 -0.87 0.01 0.00 0.02 0.00 0.00 55.36 54.83 3h5u s GLN 446 Cb 0.04 -2.56 0.00 0.00 1.00 0.00 0.00 33.01 31.49 3h5u s GLN 446 CO 0.10 -0.27 -0.17 0.42 -2.12 0.00 0.00 175.29 173.25 3h5u s ILE 447 N 1.29 2.50 -1.22 1.08 1.01 -0.48 -4.61 121.20 120.77 3h5u s ILE 447 Ca 0.03 -0.82 -0.05 0.00 0.00 0.00 0.00 60.65 59.80 3h5u s ILE 447 Cb -0.14 -2.05 0.04 0.00 0.01 0.00 0.00 42.46 40.32 3h5u s ILE 447 CO -0.12 0.52 0.31 -1.22 0.00 0.00 0.00 174.94 174.44 3h5u n TYR 448 N 4.11 -1.67 0.00 3.97 4.01 -1.26 -2.08 117.16 124.25 3h5u n TYR 448 Ca -0.19 0.29 0.00 0.00 -0.16 0.00 0.00 57.90 57.84 3h5u n TYR 448 Cb 0.52 -3.05 0.00 0.00 -0.31 0.00 0.00 39.34 36.49 3h5u n TYR 448 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3h5u n GLY 449 N -1.07 2.31 3.88 2.72 0.00 -1.26 -0.97 105.19 110.80 3h5u n GLY 449 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 3h5u n GLY 449 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3h5u s ALA 450 N -2.28 3.42 -0.23 4.61 0.00 -0.88 -4.23 121.76 122.16 3h5u s ALA 450 Ca 0.00 -0.30 -0.10 0.00 0.00 0.00 0.00 51.96 51.55 3h5u s ALA 450 Cb 0.00 -2.59 -0.05 0.00 0.00 0.00 0.00 23.12 20.48 3h5u s ALA 450 CO 0.00 0.06 0.15 0.00 0.00 0.00 0.00 175.76 175.97 3h5u s TYR 452 N 0.94 2.43 -0.34 0.00 1.51 0.83 -1.03 117.35 121.68 3h5u s TYR 452 Ca 0.08 -0.40 -0.13 0.00 -1.01 0.00 0.00 57.07 55.60 3h5u s TYR 452 Cb -0.13 -1.54 -0.02 0.00 -0.11 0.00 0.00 41.96 40.16 3h5u s TYR 452 CO 0.03 -0.01 0.27 0.45 -1.11 0.00 0.00 175.55 175.19 3h5u s SER 453 N -0.59 6.09 -0.05 2.29 0.15 -1.09 -1.37 113.70 119.12 3h5u s SER 453 Ca 0.09 -0.34 0.03 0.00 0.70 0.00 0.00 55.95 56.43 3h5u s SER 453 Cb -0.10 -2.15 0.01 0.00 -1.71 0.00 0.00 66.02 62.06 3h5u s SER 453 CO -0.00 -0.25 -0.13 -0.63 1.20 0.00 0.00 173.24 173.43 3h5u s ILE 454 N 1.81 1.13 -0.15 6.45 1.01 -0.03 -4.86 121.20 126.56 3h5u s ILE 454 Ca 0.08 -0.51 -0.24 0.00 0.00 0.00 0.00 60.65 59.98 3h5u s ILE 454 Cb -0.17 -1.01 -0.02 0.00 0.01 0.00 0.00 42.46 41.26 3h5u s ILE 454 CO 0.11 0.35 0.78 -1.61 0.00 0.00 0.00 174.94 174.57 3h5u s GLU 455 N 0.44 4.32 0.47 2.79 2.02 -1.26 -0.81 118.70 126.68 3h5u s GLU 455 Ca -0.10 0.95 0.29 0.00 0.02 0.00 0.00 54.97 56.12 3h5u s GLU 455 Cb -0.14 -3.55 1.36 0.00 0.10 0.00 0.00 34.13 31.91 3h5u s GLU 455 CO 0.03 -0.23 1.77 -1.35 0.02 0.00 0.00 175.26 175.50 3h5u h PRO 456 N 7.22 0.17 0.00 0.39 0.11 -1.76 0.59 132.00 138.71 3h5u h PRO 456 Ca -0.32 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3h5u h PRO 456 Cb 1.15 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3h5u h PRO 456 CO 0.81 0.11 0.00 -0.07 -0.21 0.00 0.00 178.00 178.64 3h5u h LEU 457 N 0.17 0.00 -1.03 2.35 3.38 -1.91 -2.01 115.31 116.26 3h5u h LEU 457 Ca 0.61 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.58 3h5u h LEU 457 Cb 2.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.77 3h5u h LEU 457 CO -0.17 0.00 0.00 0.47 0.09 0.00 0.00 178.44 178.83 3h5u n ASP 458 N -2.96 1.54 -0.14 -0.43 8.00 0.20 -4.42 116.55 118.33 3h5u n ASP 458 Ca -0.01 -1.70 -0.07 0.00 0.71 0.00 0.00 54.79 53.71 3h5u n ASP 458 Cb 0.16 -0.10 0.01 0.00 -0.02 0.00 0.00 41.12 41.17 3h5u n ASP 458 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3h5u h LEU 459 N 2.03 0.48 -0.51 0.64 3.38 -1.48 -2.40 115.31 117.44 3h5u h LEU 459 Ca 0.00 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.06 3h5u h LEU 459 Cb 0.44 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 41.00 3h5u h LEU 459 CO 0.00 0.34 0.01 -0.65 0.09 0.00 0.00 178.44 178.23 3h5u h PRO 460 N 0.57 0.12 -0.50 1.13 0.11 -1.83 0.94 132.00 132.54 3h5u h PRO 460 Ca 0.17 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.19 3h5u h PRO 460 Cb -0.04 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.02 3h5u h PRO 460 CO -0.05 0.08 0.00 1.96 -0.21 0.00 0.00 178.00 179.78 3h5u h GLN 461 N 0.13 0.88 -0.26 1.05 7.50 -1.87 0.42 115.11 122.96 3h5u h GLN 461 Ca 0.26 -0.28 0.00 0.00 0.50 0.00 0.00 58.65 59.14 3h5u h GLN 461 Cb 0.39 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 27.83 3h5u h GLN 461 CO -0.42 0.91 0.17 0.82 -1.50 0.00 0.00 178.83 178.80 3h5u h ILE 462 N 0.74 1.06 -0.82 2.54 2.04 -1.00 -1.64 117.51 120.43 3h5u h ILE 462 Ca 0.14 -0.12 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 3h5u h ILE 462 Cb 0.51 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 3h5u h ILE 462 CO 0.03 0.06 0.38 0.40 0.00 0.00 0.00 178.15 179.01 3h5u h ILE 463 N 0.34 1.26 -0.09 -0.67 2.04 -0.50 -1.54 117.51 118.35 3h5u h ILE 463 Ca 0.10 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.22 3h5u h ILE 463 Cb -0.03 0.23 -0.00 0.00 -0.74 0.00 0.00 36.82 36.27 3h5u h ILE 463 CO -0.03 0.31 0.06 -0.08 0.00 0.00 0.00 178.15 178.42 3h5u h GLU 464 N 1.17 0.12 -0.42 2.37 4.81 -0.55 -1.93 114.58 120.15 3h5u h GLU 464 Ca 0.28 -0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.40 3h5u h GLU 464 Cb 0.14 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.48 3h5u h GLU 464 CO -0.03 0.08 -0.14 0.00 -0.73 0.00 0.00 179.01 178.19 3h5u h ARG 465 N 0.12 0.78 0.00 1.92 2.47 -0.99 0.44 114.38 119.12 3h5u h ARG 465 Ca 0.03 -0.27 -0.14 0.00 -1.26 0.00 0.00 59.98 58.34 3h5u h ARG 465 Cb -0.01 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.23 3h5u h ARG 465 CO -0.01 0.88 -0.67 -0.07 0.56 0.00 0.00 179.97 180.66 3h5u h LEU 466 N 0.70 0.00 0.00 3.04 3.38 -1.18 -3.41 115.31 117.84 3h5u h LEU 466 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3h5u h LEU 466 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3h5u h LEU 466 CO 0.04 0.66 -0.16 1.41 0.09 0.00 0.00 178.44 180.48 3h5u n HIS 467 N -3.26 0.00 0.00 1.13 8.25 -0.73 -2.68 115.22 117.92 3h5u n HIS 467 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 3h5u n HIS 467 Cb 0.80 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.91 3h5u n HIS 467 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3h5u n GLY 468 N 0.66 -1.64 0.30 -1.41 0.00 0.15 -4.44 105.19 98.81 3h5u n GLY 468 Ca 0.00 -1.55 0.17 0.00 0.00 0.00 0.00 46.02 44.64 3h5u n GLY 468 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3h5u h LEU 469 N 0.00 0.00 -1.88 0.99 3.38 -1.88 -2.71 115.31 113.21 3h5u h LEU 469 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3h5u h LEU 469 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 3h5u h LEU 469 CO 0.00 0.03 -0.08 0.77 0.09 0.00 0.00 178.44 179.25 3h5u h SER 470 N 0.00 0.00 -1.17 -0.43 4.64 -1.96 -1.93 113.55 112.70 3h5u h SER 470 Ca -0.00 0.00 0.34 0.00 -0.47 0.00 0.00 61.79 61.66 3h5u h SER 470 Cb 0.12 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.11 3h5u h SER 470 CO 0.00 0.08 0.76 0.00 -0.87 0.00 0.00 176.83 176.81 3h5u h ALA 471 N 1.92 2.52 -0.00 5.18 0.00 -1.69 0.23 119.26 127.40 3h5u h ALA 471 Ca -0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3h5u h ALA 471 Cb 0.15 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3h5u h ALA 471 CO 0.01 -1.01 -0.08 1.19 0.00 0.00 0.00 179.25 179.36 3h5u n PHE 472 N -4.61 0.00 -0.23 0.00 3.72 -0.72 -4.18 117.46 111.44 3h5u n PHE 472 Ca 0.30 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.70 3h5u n PHE 472 Cb 1.14 -0.18 0.00 0.00 -0.94 0.00 0.00 39.48 39.49 3h5u n PHE 472 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3h5u n SER 473 N -0.99 0.52 -4.76 4.37 7.64 0.71 -4.49 113.62 116.61 3h5u n SER 473 Ca 0.15 -0.84 -0.39 0.00 1.01 0.00 0.00 58.87 58.81 3h5u n SER 473 Cb 0.26 0.17 0.02 0.00 -1.01 0.00 0.00 64.21 63.65 3h5u n SER 473 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3h5u s LEU 474 N -0.34 4.01 0.35 -3.43 1.43 -0.67 -4.05 118.68 115.98 3h5u s LEU 474 Ca 0.00 2.71 -0.17 0.00 -1.03 0.00 0.00 54.13 55.65 3h5u s LEU 474 Cb 0.00 -4.11 0.04 0.00 0.03 0.00 0.00 46.19 42.15 3h5u s LEU 474 CO 0.00 -1.23 0.75 -1.38 0.23 0.00 0.00 176.35 174.72 3h5u s HIS 475 N -1.31 0.08 -1.17 0.29 -3.43 0.46 -4.93 115.29 105.28 3h5u s HIS 475 Ca 0.65 -0.68 -0.14 0.00 -0.80 0.00 0.00 55.06 54.09 3h5u s HIS 475 Cb -0.39 0.76 -0.02 0.00 -1.43 0.00 0.00 32.58 31.50 3h5u s HIS 475 CO 0.48 -1.46 0.77 0.43 -2.00 0.00 0.00 174.74 172.96 3h5u n SER 476 N -1.14 -4.42 -4.60 7.38 7.64 -1.26 -0.32 113.62 116.90 3h5u n SER 476 Ca -0.07 -0.94 -0.29 0.00 1.01 0.00 0.00 58.87 58.58 3h5u n SER 476 Cb 0.60 -3.73 0.20 0.00 -1.01 0.00 0.00 64.21 60.26 3h5u n SER 476 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3h5u s TYR 477 N -3.53 1.74 0.37 1.43 1.51 -1.26 -4.15 117.35 113.46 3h5u s TYR 477 Ca 0.36 1.27 -0.25 0.00 -1.01 0.00 0.00 57.07 57.43 3h5u s TYR 477 Cb -0.11 -3.18 -0.09 0.00 -0.11 0.00 0.00 41.96 38.47 3h5u s TYR 477 CO 0.84 -3.21 1.01 -1.54 -1.11 0.00 0.00 175.55 171.54 3h5u s SER 478 N -2.90 7.00 0.29 2.29 1.04 -1.18 -4.90 113.70 115.34 3h5u s SER 478 Ca 0.66 1.96 0.04 0.00 0.48 0.00 0.00 55.95 59.09 3h5u s SER 478 Cb -0.22 -2.58 0.69 0.00 0.10 0.00 0.00 66.02 64.01 3h5u s SER 478 CO 0.61 -0.32 1.74 -0.65 0.98 0.00 0.00 173.24 175.60 3h5u h PRO 479 N 2.76 0.58 -0.47 4.02 0.11 -1.94 -0.96 132.00 136.10 3h5u h PRO 479 Ca -0.48 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.51 3h5u h PRO 479 Cb 1.20 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 3h5u h PRO 479 CO 0.63 0.38 -0.06 0.78 -0.21 0.00 0.00 178.00 179.52 3h5u h GLY 480 N 0.59 0.89 1.09 -0.55 0.00 -1.99 -0.59 103.07 102.51 3h5u h GLY 480 Ca 0.55 -0.64 -0.18 0.00 0.00 0.00 0.00 47.33 47.06 3h5u h GLY 480 CO -0.43 0.59 -0.54 -2.09 0.00 0.00 0.00 176.54 174.08 3h5u h GLU 481 N 0.75 0.80 -0.63 4.80 4.57 -1.83 -2.15 114.58 120.89 3h5u h GLU 481 Ca 0.13 -0.53 -0.03 0.00 -1.18 0.00 0.00 59.36 57.75 3h5u h GLU 481 Cb 0.54 0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 29.18 3h5u h GLU 481 CO 0.03 1.15 0.26 0.82 -1.18 0.00 0.00 179.01 180.10 3h5u h ILE 482 N 0.55 1.23 -0.47 2.32 2.04 -1.13 -2.63 117.51 119.42 3h5u h ILE 482 Ca 0.00 -0.70 -0.08 0.00 1.00 0.00 0.00 64.86 65.09 3h5u h ILE 482 Cb 1.15 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.73 3h5u h ILE 482 CO 0.12 0.28 -0.03 0.78 0.00 0.00 0.00 178.15 179.30 3h5u h ASN 483 N 0.87 0.76 -0.39 1.72 2.35 -1.07 -1.66 115.58 118.16 3h5u h ASN 483 Ca 0.21 -0.19 -0.12 0.00 -0.55 0.00 0.00 56.30 55.64 3h5u h ASN 483 Cb 0.18 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.34 3h5u h ASN 483 CO -0.02 0.84 -0.21 -0.09 -1.65 0.00 0.00 177.43 176.31 3h5u h ARG 484 N 0.73 0.89 0.46 0.81 2.43 -1.24 -0.55 114.38 117.92 3h5u h ARG 484 Ca 0.14 -0.37 -0.02 0.00 -0.81 0.00 0.00 59.98 58.92 3h5u h ARG 484 Cb 0.48 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 3h5u h ARG 484 CO 0.02 1.01 -0.22 0.28 -1.51 0.00 0.00 179.97 179.56 3h5u h VAL 485 N 0.78 0.40 -0.60 0.20 2.07 -1.31 -1.52 116.25 116.27 3h5u h VAL 485 Ca 0.11 -0.49 0.12 0.00 0.82 0.00 0.00 66.70 67.26 3h5u h VAL 485 Cb 0.75 0.58 -0.09 0.00 -1.52 0.00 0.00 31.29 31.01 3h5u h VAL 485 CO 0.06 0.07 0.10 0.00 0.02 0.00 0.00 177.57 177.82 3h5u h ALA 486 N -0.64 0.69 -0.78 1.67 0.00 -1.32 -0.62 119.26 118.25 3h5u h ALA 486 Ca -0.06 0.14 0.07 0.00 0.00 0.00 0.00 54.91 55.06 3h5u h ALA 486 Cb 0.58 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.52 3h5u h ALA 486 CO 0.10 -0.33 0.46 1.03 0.00 0.00 0.00 179.25 180.51 3h5u h SER 487 N 0.22 0.69 -0.43 0.00 0.87 -1.12 -2.11 113.55 111.69 3h5u h SER 487 Ca 0.32 0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.86 3h5u h SER 487 Cb 0.48 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.31 3h5u h SER 487 CO -0.43 0.43 0.09 0.00 -0.53 0.00 0.00 176.83 176.40 3h5u h LEU 489 N 0.57 1.03 -0.07 0.00 3.38 -0.81 -1.51 115.31 117.89 3h5u h LEU 489 Ca 0.13 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3h5u h LEU 489 Cb 0.34 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 3h5u h LEU 489 CO 0.00 0.72 0.01 0.03 0.09 0.00 0.00 178.44 179.29 3h5u h ARG 490 N 1.20 0.11 -0.83 1.13 3.08 -1.31 0.45 114.38 118.21 3h5u h ARG 490 Ca 0.36 -0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.49 3h5u h ARG 490 Cb -0.05 -0.01 -0.08 0.00 0.08 0.00 0.00 29.97 29.91 3h5u h ARG 490 CO -0.11 0.36 0.45 -0.22 -1.07 0.00 0.00 179.97 179.39 3h5u h LYS 491 N -0.15 0.69 0.00 0.04 3.64 -1.01 -2.55 116.57 117.23 3h5u h LYS 491 Ca 0.02 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3h5u h LYS 491 Cb 0.30 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 3h5u h LYS 491 CO 0.00 0.46 -0.68 1.28 -2.27 0.00 0.00 179.45 178.24 3h5u n LEU 492 N -4.80 0.60 -1.67 5.20 4.32 -0.60 -4.93 117.00 115.13 3h5u n LEU 492 Ca 0.15 0.05 -0.09 0.00 -0.02 0.00 0.00 56.01 56.10 3h5u n LEU 492 Cb 0.34 -0.19 0.03 0.00 -1.62 0.00 0.00 43.42 41.99 3h5u n LEU 492 CO 0.24 0.05 0.09 0.61 -1.22 0.00 0.00 177.39 177.17 3h5u n GLY 493 N 1.42 0.38 3.82 -0.72 0.00 0.23 -2.17 105.19 108.16 3h5u n GLY 493 Ca 0.04 -0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.36 3h5u n GLY 493 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h5u s VAL 494 N -3.11 4.76 0.67 1.61 1.01 0.13 -0.95 120.40 124.51 3h5u s VAL 494 Ca 0.22 1.11 -0.17 0.00 0.00 0.00 0.00 61.98 63.14 3h5u s VAL 494 Cb -0.10 -3.85 -0.00 0.00 0.00 0.00 0.00 36.38 32.43 3h5u s VAL 494 CO 0.27 0.44 1.25 -2.65 0.00 0.00 0.00 175.10 174.41 3h5u n PRO 495 N 1.37 0.97 -0.95 2.72 -0.02 -1.25 -4.48 135.00 133.36 3h5u n PRO 495 Ca -0.08 0.39 -0.31 0.00 -2.02 0.00 0.00 63.50 61.48 3h5u n PRO 495 Cb 0.51 -2.48 0.13 0.00 -0.02 0.00 0.00 33.50 31.64 3h5u n PRO 495 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3h5u s PRO 496 N -3.41 1.56 0.56 0.52 0.04 -1.26 -4.83 135.00 128.18 3h5u s PRO 496 Ca 0.81 1.37 0.24 0.00 0.04 0.00 0.00 61.00 63.45 3h5u s PRO 496 Cb -0.37 -1.80 1.58 0.00 0.04 0.00 0.00 34.50 33.94 3h5u s PRO 496 CO 0.42 -2.20 2.21 -0.07 0.04 0.00 0.00 177.00 177.40 3h5u h LEU 497 N -1.54 0.00 -1.23 -3.56 3.38 -1.99 -1.12 115.31 109.26 3h5u h LEU 497 Ca -0.43 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.48 3h5u h LEU 497 Cb 1.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 3h5u h LEU 497 CO 0.46 0.00 -0.07 0.08 0.09 0.00 0.00 178.44 179.00 3h5u h ARG 498 N 0.00 0.44 -0.23 1.13 0.11 -2.00 -1.15 114.38 112.69 3h5u h ARG 498 Ca -0.00 -0.11 -0.04 0.00 0.10 0.00 0.00 59.98 59.93 3h5u h ARG 498 Cb 0.01 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.02 3h5u h ARG 498 CO 0.00 0.53 -0.02 0.28 0.10 0.00 0.00 179.97 180.86 3h5u h VAL 499 N 0.42 1.27 -0.75 0.08 2.07 -1.55 -2.88 116.25 114.92 3h5u h VAL 499 Ca 0.09 -0.95 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 3h5u h VAL 499 Cb 0.39 1.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 3h5u h VAL 499 CO 0.02 0.29 0.43 -0.50 0.02 0.00 0.00 177.57 177.83 3h5u h TRP 500 N 0.17 0.99 -0.46 1.57 4.06 -1.40 -1.89 115.95 118.99 3h5u h TRP 500 Ca 0.06 -0.01 0.02 0.00 2.06 0.00 0.00 58.89 61.02 3h5u h TRP 500 Cb 0.45 -0.32 -0.03 0.00 -1.00 0.00 0.00 29.16 28.25 3h5u h TRP 500 CO 0.04 0.68 0.28 -0.09 -3.56 0.00 0.00 178.44 175.79 3h5u h ARG 501 N 1.03 0.55 -0.28 0.49 2.43 -1.18 0.79 114.38 118.21 3h5u h ARG 501 Ca 0.27 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.43 3h5u h ARG 501 Cb -0.01 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 3h5u h ARG 501 CO -0.05 0.37 0.13 1.25 -1.51 0.00 0.00 179.97 180.16 3h5u h HIS 502 N 0.57 0.23 -0.56 2.20 2.76 -1.22 -2.11 115.15 117.03 3h5u h HIS 502 Ca 0.18 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.31 3h5u h HIS 502 Cb -0.01 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 28.86 3h5u h HIS 502 CO -0.06 0.12 0.13 0.00 -1.30 0.00 0.00 177.93 176.82 3h5u h ARG 503 N 0.27 0.86 -0.66 5.26 3.08 -1.08 -2.74 114.38 119.38 3h5u h ARG 503 Ca 0.12 -0.18 -0.07 0.00 0.07 0.00 0.00 59.98 59.92 3h5u h ARG 503 Cb 0.06 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 3h5u h ARG 503 CO -0.10 0.78 0.15 0.00 -1.07 0.00 0.00 179.97 179.73 3h5u h ALA 504 N 1.31 1.02 -0.75 0.04 0.00 -0.54 0.42 119.26 120.76 3h5u h ALA 504 Ca 0.18 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3h5u h ALA 504 Cb 0.31 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 3h5u h ALA 504 CO 0.00 0.64 0.47 0.00 0.00 0.00 0.00 179.25 180.36 3h5u h ARG 505 N 0.99 1.00 0.63 0.00 3.08 -1.12 0.58 114.38 119.55 3h5u h ARG 505 Ca 0.21 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.15 3h5u h ARG 505 Cb 0.37 -0.22 -0.00 0.00 0.08 0.00 0.00 29.97 30.20 3h5u h ARG 505 CO 0.00 0.69 -0.37 1.03 -1.07 0.00 0.00 179.97 180.26 3h5u h SER 506 N 1.02 -0.91 -0.77 7.04 0.87 -1.11 -1.95 113.55 117.74 3h5u h SER 506 Ca 0.27 0.05 0.10 0.00 -1.23 0.00 0.00 61.79 60.98 3h5u h SER 506 Cb -0.07 0.26 -0.08 0.00 -0.44 0.00 0.00 62.40 62.07 3h5u h SER 506 CO -0.05 -0.58 0.40 0.58 -0.53 0.00 0.00 176.83 176.64 3h5u h VAL 507 N -0.94 0.85 -0.44 2.23 2.07 0.19 -1.37 116.25 118.84 3h5u h VAL 507 Ca -0.08 -0.23 0.04 0.00 0.82 0.00 0.00 66.70 67.25 3h5u h VAL 507 Cb 0.75 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 3h5u h VAL 507 CO 0.10 0.12 0.20 -0.09 0.02 0.00 0.00 177.57 177.92 3h5u h ARG 508 N 0.66 0.40 -0.03 1.57 2.43 0.20 -0.44 114.38 119.17 3h5u h ARG 508 Ca 0.38 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.53 3h5u h ARG 508 Cb 0.41 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3h5u h ARG 508 CO -0.28 0.26 0.02 0.00 -1.51 0.00 0.00 179.97 178.47 3h5u h ALA 509 N 1.25 0.04 -0.84 2.80 0.00 -0.69 0.11 119.26 121.93 3h5u h ALA 509 Ca 0.19 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.24 3h5u h ALA 509 Cb 0.12 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 17.80 3h5u h ALA 509 CO -0.15 -0.44 0.39 0.00 0.00 0.00 0.00 179.25 179.05 3h5u h ARG 510 N 0.00 0.51 -0.20 0.00 3.08 -1.09 0.13 114.38 116.80 3h5u h ARG 510 Ca 0.01 -0.03 -0.18 0.00 0.07 0.00 0.00 59.98 59.85 3h5u h ARG 510 Cb 0.04 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 29.98 3h5u h ARG 510 CO -0.00 0.34 -0.57 -0.07 -1.07 0.00 0.00 179.97 178.60 3h5u h LEU 511 N 0.52 0.85 -0.82 3.04 3.38 -0.67 -3.19 115.31 118.43 3h5u h LEU 511 Ca 0.47 -0.58 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3h5u h LEU 511 Cb 0.74 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.21 3h5u h LEU 511 CO -0.41 1.28 0.50 -0.07 0.09 0.00 0.00 178.44 179.83 3h5u h LEU 512 N 0.47 0.99 -1.71 1.67 3.38 0.02 -2.29 115.31 117.83 3h5u h LEU 512 Ca -0.01 -0.06 0.24 0.00 0.09 0.00 0.00 57.88 58.13 3h5u h LEU 512 Cb 1.19 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 41.63 3h5u h LEU 512 CO 0.12 0.76 0.63 0.28 0.09 0.00 0.00 178.44 180.32 3h5u h SER 513 N 1.13 0.23 1.83 -0.43 0.02 -0.77 -1.50 113.55 114.06 3h5u h SER 513 Ca 0.30 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 3h5u h SER 513 Cb -0.04 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.48 3h5u h SER 513 CO -0.06 0.08 -0.02 1.56 -1.14 0.00 0.00 176.83 177.25 3h5u h GLN 514 N 0.22 0.00 0.00 3.45 4.20 -1.44 -3.50 115.11 118.05 3h5u h GLN 514 Ca 0.47 0.00 0.17 0.00 0.06 0.00 0.00 58.65 59.35 3h5u h GLN 514 Cb 1.46 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 29.19 3h5u h GLN 514 CO -0.12 0.00 -0.23 0.41 -0.67 0.00 0.00 178.83 178.22 3h5u n GLY 515 N 1.16 -2.03 7.00 3.46 0.00 -0.57 -4.82 105.19 109.39 3h5u n GLY 515 Ca 0.04 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.73 3h5u n GLY 515 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h5u n GLY 516 N -2.32 3.02 0.32 -0.02 0.00 -1.26 -2.03 105.19 102.90 3h5u n GLY 516 Ca 0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 46.02 45.68 3h5u n GLY 516 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3h5u h ARG 517 N 0.00 0.96 -0.53 1.61 3.08 -1.94 -1.71 114.38 115.85 3h5u h ARG 517 Ca 0.00 -0.16 0.02 0.00 0.07 0.00 0.00 59.98 59.91 3h5u h ARG 517 Cb 0.00 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.86 3h5u h ARG 517 CO 0.00 0.79 0.32 0.00 -1.07 0.00 0.00 179.97 180.02 3h5u h ALA 518 N 1.33 0.68 -0.55 0.04 0.00 -1.81 -2.13 119.26 116.82 3h5u h ALA 518 Ca 0.22 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 3h5u h ALA 518 Cb 0.20 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3h5u h ALA 518 CO -0.02 0.05 0.09 0.00 0.00 0.00 0.00 179.25 179.37 3h5u h ALA 519 N 1.23 0.73 -0.98 0.00 0.00 -0.75 -1.25 119.26 118.24 3h5u h ALA 519 Ca 0.21 -0.25 0.14 0.00 0.00 0.00 0.00 54.91 55.01 3h5u h ALA 519 Cb -0.00 -0.21 -0.09 0.00 0.00 0.00 0.00 17.79 17.49 3h5u h ALA 519 CO -0.08 0.48 0.60 1.15 0.00 0.00 0.00 179.25 181.40 3h5u h THR 520 N 0.81 0.85 -0.40 0.00 2.02 -1.21 0.92 112.91 115.90 3h5u h THR 520 Ca 0.17 -0.31 -0.03 0.00 0.77 0.00 0.00 66.41 67.01 3h5u h THR 520 Cb 0.41 -0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.68 3h5u h THR 520 CO 0.01 0.16 0.15 0.00 0.37 0.00 0.00 175.52 176.21 3h5u h GLY 522 N 0.50 -0.14 0.58 0.00 0.00 -0.09 -1.28 103.07 102.64 3h5u h GLY 522 Ca 0.13 0.10 0.02 0.00 0.00 0.00 0.00 47.33 47.59 3h5u h GLY 522 CO -0.01 -0.09 -0.20 1.70 0.00 0.00 0.00 176.54 177.94 3h5u h LYS 523 N -0.17 -0.32 0.00 4.80 3.64 0.11 -3.04 116.57 121.58 3h5u h LYS 523 Ca 0.02 0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 59.37 3h5u h LYS 523 Cb 0.20 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 3h5u h LYS 523 CO -0.06 -0.22 -0.32 1.88 -2.27 0.00 0.00 179.45 178.46 3h5u h TYR 524 N -0.34 0.00 0.00 1.91 -1.99 -0.93 -3.25 116.97 112.38 3h5u h TYR 524 Ca 0.05 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.72 3h5u h TYR 524 Cb 0.39 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.11 3h5u h TYR 524 CO -0.22 1.06 -0.25 -0.07 -0.00 0.00 0.00 178.16 178.68 3h5u h LEU 525 N -1.00 0.00 -2.90 3.88 3.38 -1.36 -3.29 115.31 114.02 3h5u h LEU 525 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3h5u h LEU 525 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 3h5u h LEU 525 CO -0.05 0.25 -0.04 0.49 0.09 0.00 0.00 178.44 179.18 3h5u n PHE 526 N -3.49 0.00 0.18 1.13 3.72 -1.15 -4.64 117.46 113.22 3h5u n PHE 526 Ca -0.00 -0.87 0.06 0.00 -0.05 0.00 0.00 57.45 56.59 3h5u n PHE 526 Cb 0.42 -0.13 0.55 0.00 -0.94 0.00 0.00 39.48 39.37 3h5u n PHE 526 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 3h5u h ASN 527 N 0.00 0.14 0.00 4.37 -1.24 -1.62 -0.22 115.58 117.01 3h5u h ASN 527 Ca 0.00 -0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.00 3h5u h ASN 527 Cb 1.00 -0.04 0.00 0.00 0.73 0.00 0.00 38.32 40.01 3h5u h ASN 527 CO 0.00 0.14 0.04 4.11 -1.29 0.00 0.00 177.43 180.44 3h5u h TRP 528 N 0.16 0.00 0.00 0.67 5.08 -1.82 -3.02 115.95 117.02 3h5u h TRP 528 Ca 0.04 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.01 3h5u h TRP 528 Cb 0.05 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.21 3h5u h TRP 528 CO 0.00 0.00 -0.83 0.00 -1.28 0.00 0.00 178.44 176.33 3h5u n ALA 529 N -1.91 3.17 -2.54 0.11 0.00 -0.09 -4.89 120.51 114.35 3h5u n ALA 529 Ca -0.02 -0.33 -0.32 0.00 0.00 0.00 0.00 53.44 52.77 3h5u n ALA 529 Cb 0.09 -1.07 -0.11 0.00 0.00 0.00 0.00 19.45 18.36 3h5u n ALA 529 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3h5u s VAL 530 N -3.18 3.35 0.03 0.00 -7.23 -1.14 -4.76 120.40 107.48 3h5u s VAL 530 Ca 0.05 -0.86 -0.20 0.00 -1.81 0.00 0.00 61.98 59.16 3h5u s VAL 530 Cb 0.14 -2.42 -0.15 0.00 0.56 0.00 0.00 36.38 34.50 3h5u s VAL 530 CO 0.76 0.42 1.32 0.07 -0.31 0.00 0.00 175.10 177.36 3h5u h LYS 531 N 4.68 0.36 -5.85 4.82 2.10 -1.90 -3.34 116.57 117.44 3h5u h LYS 531 Ca -0.48 -0.21 -0.67 0.00 -2.00 0.00 0.00 60.65 57.29 3h5u h LYS 531 Cb 1.16 0.02 -0.09 0.00 -0.90 0.00 0.00 32.23 32.42 3h5u h LYS 531 CO 0.52 0.78 2.06 0.99 -2.00 0.00 0.00 179.45 181.79 3h5u s THR 532 N -4.19 4.12 0.33 0.07 2.01 -1.26 -4.97 115.64 111.76 3h5u s THR 532 Ca -0.14 -1.76 -0.29 0.00 0.31 0.00 0.00 61.69 59.81 3h5u s THR 532 Cb 0.05 -5.16 -0.11 0.00 0.01 0.00 0.00 72.50 67.29 3h5u s THR 532 CO 0.76 -2.00 1.45 -0.54 -0.69 0.00 0.00 174.62 173.60 3h5u s LYS 533 N 4.24 4.20 0.71 4.92 3.01 -1.25 -5.03 119.74 130.54 3h5u s LYS 533 Ca 0.52 2.43 -0.11 0.00 -1.01 0.00 0.00 55.97 57.81 3h5u s LYS 533 Cb 0.03 -3.03 0.02 0.00 -1.01 0.00 0.00 37.83 33.84 3h5u s LYS 533 CO 0.05 -0.44 1.07 -0.51 0.51 0.00 0.00 175.35 176.03 3h5u s LEU 534 N -1.47 3.08 -0.23 3.17 1.02 -1.26 -5.05 118.68 117.93 3h5u s LEU 534 Ca 0.54 1.62 -0.10 0.00 0.02 0.00 0.00 54.13 56.21 3h5u s LEU 534 Cb -0.44 -4.45 -0.05 0.00 0.02 0.00 0.00 46.19 41.27 3h5u s LEU 534 CO 0.55 -1.56 0.16 -0.75 0.02 0.00 0.00 176.35 174.77 3h5u s LYS 535 N -5.04 4.10 -0.19 1.70 2.20 -1.26 -5.07 119.74 116.18 3h5u s LYS 535 Ca 0.59 -0.25 -0.14 0.00 -0.36 0.00 0.00 55.97 55.80 3h5u s LYS 535 Cb -0.14 -3.51 -0.04 0.00 -1.51 0.00 0.00 37.83 32.62 3h5u s LYS 535 CO 0.55 0.11 0.30 -0.51 -0.36 0.00 0.00 175.35 175.44 3h5u s LEU 536 N 0.91 4.18 0.25 5.43 1.43 -1.26 -5.07 118.68 124.55 3h5u s LEU 536 Ca 0.08 0.42 0.10 0.00 -1.03 0.00 0.00 54.13 53.70 3h5u s LEU 536 Cb -0.13 -2.36 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 3h5u s LEU 536 CO 0.03 0.03 -0.08 0.42 0.23 0.00 0.00 176.35 176.98 3h5u s THR 537 N 0.89 3.11 0.12 5.49 -4.23 -1.26 -5.08 115.64 114.68 3h5u s THR 537 Ca 0.15 -1.99 -0.35 0.00 -1.18 0.00 0.00 61.69 58.32 3h5u s THR 537 Cb -0.14 -2.62 -0.16 0.00 1.34 0.00 0.00 72.50 70.92 3h5u s THR 537 CO 0.05 -0.31 1.24 -2.65 -0.54 0.00 0.00 174.62 172.41 3h5u n PRO 538 N -0.58 1.08 -2.71 3.99 -0.02 -1.26 -4.89 135.00 130.60 3h5u n PRO 538 Ca -0.07 0.39 -0.42 0.00 -2.02 0.00 0.00 63.50 61.37 3h5u n PRO 538 Cb 0.58 -1.95 -0.03 0.00 -0.02 0.00 0.00 33.50 32.08 3h5u n PRO 538 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3h5u s ILE 539 N 0.17 4.80 0.15 4.25 1.01 -1.26 -4.96 121.20 125.35 3h5u s ILE 539 Ca 0.80 2.00 -0.18 0.00 0.00 0.00 0.00 60.65 63.28 3h5u s ILE 539 Cb -0.93 -4.30 0.02 0.00 0.01 0.00 0.00 42.46 37.26 3h5u s ILE 539 CO 0.50 0.01 1.72 -0.65 0.00 0.00 0.00 174.94 176.51 3h5u h PRO 540 N 7.11 0.11 -0.23 2.79 0.11 -2.04 -1.89 132.00 137.96 3h5u h PRO 540 Ca -0.31 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.86 3h5u h PRO 540 Cb 1.15 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.22 3h5u h PRO 540 CO 0.85 0.07 0.30 0.00 -0.21 0.00 0.00 178.00 179.01 3h5u h ALA 541 N 1.26 1.81 -0.27 -0.75 0.00 -2.00 -2.98 119.26 116.32 3h5u h ALA 541 Ca 0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3h5u h ALA 541 Cb 0.19 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3h5u h ALA 541 CO -0.23 -0.41 0.14 0.00 0.00 0.00 0.00 179.25 178.74 3h5u h ALA 542 N 1.62 0.35 0.00 0.00 0.00 -1.67 -2.11 119.26 117.45 3h5u h ALA 542 Ca 0.11 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3h5u h ALA 542 Cb 0.70 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 3h5u h ALA 542 CO -0.00 -0.10 -0.12 0.66 0.00 0.00 0.00 179.25 179.68 3h5u h SER 543 N 0.32 0.00 1.50 0.00 4.64 -1.64 -2.61 113.55 115.76 3h5u h SER 543 Ca 0.10 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.35 3h5u h SER 543 Cb 0.09 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 3h5u h SER 543 CO -0.01 0.12 -0.29 0.03 -0.87 0.00 0.00 176.83 175.81 3h5u h ARG 544 N 0.00 0.00 -6.55 4.77 3.08 -1.53 -3.47 114.38 110.69 3h5u h ARG 544 Ca -0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 3h5u h ARG 544 Cb 0.22 0.00 0.06 0.00 0.08 0.00 0.00 29.97 30.33 3h5u h ARG 544 CO 0.02 0.29 0.90 -0.11 -1.07 0.00 0.00 179.97 179.99 3h5u n LEU 545 N -3.22 3.46 -4.46 3.04 7.94 -0.84 -4.90 117.00 118.02 3h5u n LEU 545 Ca 0.02 1.07 -0.44 0.00 -1.11 0.00 0.00 56.01 55.55 3h5u n LEU 545 Cb 0.60 -1.48 -0.02 0.00 0.53 0.00 0.00 43.42 43.04 3h5u n LEU 545 CO 0.37 -0.10 1.06 -0.62 -1.11 0.00 0.00 177.39 176.99 3h5u s ASP 546 N 1.21 6.66 -0.22 1.96 -1.08 -1.26 -4.82 116.67 119.12 3h5u s ASP 546 Ca 0.78 -2.09 0.09 0.00 -0.52 0.00 0.00 52.55 50.82 3h5u s ASP 546 Cb -0.61 -2.41 0.62 0.00 -1.46 0.00 0.00 42.92 39.06 3h5u s ASP 546 CO 0.36 -1.07 1.53 0.18 0.52 0.00 0.00 175.17 176.69 3h5u n LEU 547 N 6.65 4.96 -4.79 -1.34 4.32 -1.26 -4.89 117.00 120.65 3h5u n LEU 547 Ca 0.26 -2.54 -0.34 0.00 -0.02 0.00 0.00 56.01 53.36 3h5u n LEU 547 Cb 0.49 -0.67 -0.03 0.00 -1.62 0.00 0.00 43.42 41.59 3h5u n LEU 547 CO 0.53 0.62 0.73 -0.94 -1.22 0.00 0.00 177.39 177.11 3h5u s SER 548 N -0.64 6.21 0.00 -1.43 1.04 -1.26 -2.77 113.70 114.85 3h5u s SER 548 Ca 0.43 1.98 0.00 0.00 0.48 0.00 0.00 55.95 58.84 3h5u s SER 548 Cb 0.34 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.89 3h5u s SER 548 CO 0.12 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 174.07 3h5u n GLY 549 N -0.16 2.26 3.75 7.32 0.00 -1.26 -5.04 105.19 112.06 3h5u n GLY 549 Ca 0.10 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.76 3h5u n GLY 549 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3h5u s TRP 550 N -2.29 3.47 -1.39 1.61 0.52 -1.11 -4.50 118.94 115.24 3h5u s TRP 550 Ca 0.00 0.51 -0.08 0.00 0.02 0.00 0.00 56.10 56.55 3h5u s TRP 550 Cb 0.00 -2.24 0.04 0.00 -1.15 0.00 0.00 33.47 30.12 3h5u s TRP 550 CO 0.00 0.32 0.98 1.19 0.02 0.00 0.00 176.95 179.46 3h5u n PHE 551 N 3.35 -2.37 -0.11 -1.98 3.72 -1.26 -4.89 117.46 113.91 3h5u n PHE 551 Ca -0.14 0.93 -0.22 0.00 -0.05 0.00 0.00 57.45 57.97 3h5u n PHE 551 Cb 0.52 -4.51 -0.09 0.00 -0.94 0.00 0.00 39.48 34.46 3h5u n PHE 551 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 3h5u n VAL 552 N -4.62 1.52 -3.96 -4.37 0.31 -1.25 -4.41 118.33 101.54 3h5u n VAL 552 Ca -0.08 -0.13 -0.10 0.00 -0.01 0.00 0.00 64.34 64.01 3h5u n VAL 552 Cb 0.59 -2.05 -0.03 0.00 -0.91 0.00 0.00 33.84 31.44 3h5u n VAL 552 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3h5u s ALA 553 N -2.54 -0.20 0.05 3.52 0.00 -1.25 -4.25 121.76 117.09 3h5u s ALA 553 Ca -0.32 -0.96 -0.01 0.00 0.00 0.00 0.00 51.96 50.68 3h5u s ALA 553 Cb 0.09 0.97 -0.04 0.00 0.00 0.00 0.00 23.12 24.14 3h5u s ALA 553 CO 0.49 -0.89 0.22 0.20 0.00 0.00 0.00 175.76 175.77 3h5u s GLY 554 N -3.08 2.19 -0.03 0.00 0.00 -1.26 -4.93 107.32 100.21 3h5u s GLY 554 Ca 0.22 -0.80 0.19 0.00 0.00 0.00 0.00 44.72 44.33 3h5u s GLY 554 CO 0.12 -0.76 1.14 -1.72 0.00 0.00 0.00 173.10 171.88 3h5u n TYR 555 N 0.39 0.04 -1.77 1.90 4.01 -0.14 -4.55 117.16 117.04 3h5u n TYR 555 Ca -0.06 -0.64 -0.42 0.00 -0.16 0.00 0.00 57.90 56.62 3h5u n TYR 555 Cb 0.51 0.04 -0.03 0.00 -0.31 0.00 0.00 39.34 39.55 3h5u n TYR 555 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3h5u s SER 556 N -1.87 6.26 0.00 7.72 0.15 -1.25 -0.80 113.70 123.90 3h5u s SER 556 Ca 0.25 2.28 0.00 0.00 0.70 0.00 0.00 55.95 59.18 3h5u s SER 556 Cb 0.30 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 62.08 3h5u s SER 556 CO -0.12 -1.26 0.00 0.61 1.20 0.00 0.00 173.24 173.67 3h5u n GLY 557 N 4.76 0.86 0.73 9.45 0.00 -1.26 -4.02 105.19 115.71 3h5u n GLY 557 Ca 0.21 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.34 3h5u n GLY 557 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h5u n GLY 558 N -2.00 0.70 3.42 -0.02 0.00 0.02 -2.86 105.19 104.46 3h5u n GLY 558 Ca 0.00 -0.51 -0.19 0.00 0.00 0.00 0.00 46.02 45.32 3h5u n GLY 558 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3h5u n ASP 559 N 0.67 -3.26 -4.56 1.61 2.03 -1.26 -4.52 116.55 107.26 3h5u n ASP 559 Ca 0.17 -0.58 -0.34 0.00 0.52 0.00 0.00 54.79 54.56 3h5u n ASP 559 Cb 0.41 -4.99 -0.12 0.00 -0.72 0.00 0.00 41.12 35.71 3h5u n ASP 559 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3h5u s ILE 560 N -3.34 3.56 -0.01 5.18 -1.09 -1.26 -4.31 121.20 119.92 3h5u s ILE 560 Ca 0.16 -0.55 0.00 0.00 -2.23 0.00 0.00 60.65 58.04 3h5u s ILE 560 Cb -0.07 -2.44 0.02 0.00 -1.58 0.00 0.00 42.46 38.38 3h5u s ILE 560 CO 0.71 0.59 0.02 -0.47 -1.23 0.00 0.00 174.94 174.56 3h5u s TYR 561 N -0.80 0.02 -0.17 3.97 5.04 0.44 -1.05 117.35 124.81 3h5u s TYR 561 Ca 0.12 0.08 0.01 0.00 -2.44 0.00 0.00 57.07 54.84 3h5u s TYR 561 Cb -0.11 -0.14 0.02 0.00 0.35 0.00 0.00 41.96 42.08 3h5u s TYR 561 CO 0.01 -0.05 -0.19 -1.01 -1.34 0.00 0.00 175.55 172.97 3h5u s HIS 562 N 0.64 2.59 -2.71 4.97 3.76 -0.20 -4.54 115.29 119.80 3h5u s HIS 562 Ca -0.05 -1.49 0.22 0.00 -0.15 0.00 0.00 55.06 53.59 3h5u s HIS 562 Cb -0.08 -1.81 0.17 0.00 1.11 0.00 0.00 32.58 31.97 3h5u s HIS 562 CO -0.02 -0.74 1.19 -1.13 -0.85 0.00 0.00 174.74 173.19