#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hkw s MET 2 N 0.00 4.65 0.29 4.33 -1.94 -1.26 -1.58 119.30 123.79 3hkw s MET 2 Ca 0.00 1.76 -0.00 0.00 -1.71 0.00 0.00 55.69 55.74 3hkw s MET 2 Cb 0.00 -3.21 0.50 0.00 2.01 0.00 0.00 34.83 34.13 3hkw s MET 2 CO 0.00 0.22 1.91 0.66 -0.01 0.00 0.00 175.02 177.80 3hkw h SER 3 N 4.04 0.94 -5.04 3.03 4.64 -1.37 -3.40 113.55 116.39 3hkw h SER 3 Ca -0.46 0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 60.72 3hkw h SER 3 Cb 1.21 -0.20 -0.19 0.00 -0.31 0.00 0.00 62.40 62.91 3hkw h SER 3 CO 0.68 0.61 -0.59 -0.31 -0.87 0.00 0.00 176.83 176.35 3hkw s TYR 4 N -5.94 0.21 0.10 4.77 2.02 -1.26 -0.76 117.35 116.49 3hkw s TYR 4 Ca -0.12 -0.47 0.09 0.00 -0.37 0.00 0.00 57.07 56.20 3hkw s TYR 4 Cb 0.20 -0.16 -0.04 0.00 -0.40 0.00 0.00 41.96 41.57 3hkw s TYR 4 CO 0.80 -0.29 -0.22 -1.54 -1.57 0.00 0.00 175.55 172.73 3hkw s SER 5 N -1.80 2.67 0.10 2.29 1.04 -0.40 -4.83 113.70 112.76 3hkw s SER 5 Ca -0.10 -0.69 0.07 0.00 0.48 0.00 0.00 55.95 55.72 3hkw s SER 5 Cb -0.05 -0.16 -0.03 0.00 0.10 0.00 0.00 66.02 65.88 3hkw s SER 5 CO -0.02 0.09 -0.19 0.26 0.98 0.00 0.00 173.24 174.35 3hkw s TRP 6 N -1.12 1.63 -0.13 5.02 0.52 -1.26 -0.96 118.94 122.64 3hkw s TRP 6 Ca 0.08 -0.43 0.22 0.00 0.02 0.00 0.00 56.10 55.98 3hkw s TRP 6 Cb -0.10 -0.90 -0.17 0.00 -1.15 0.00 0.00 33.47 31.15 3hkw s TRP 6 CO 0.04 0.17 0.75 0.25 0.02 0.00 0.00 176.95 178.18 3hkw n THR 7 N 1.11 0.37 0.00 2.01 -2.24 -0.27 -4.90 114.28 110.35 3hkw n THR 7 Ca -0.20 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 3hkw n THR 7 Cb 0.54 -0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 3hkw n THR 7 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hkw n GLY 8 N 1.24 2.42 3.75 3.38 0.00 -1.26 -5.07 105.19 109.65 3hkw n GLY 8 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 3hkw n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hkw s ALA 9 N -2.51 2.72 0.44 4.61 0.00 -1.26 -4.99 121.76 120.77 3hkw s ALA 9 Ca 0.00 1.22 -0.13 0.00 0.00 0.00 0.00 51.96 53.05 3hkw s ALA 9 Cb 0.00 -3.53 -0.07 0.00 0.00 0.00 0.00 23.12 19.52 3hkw s ALA 9 CO 0.00 -1.30 0.84 -0.51 0.00 0.00 0.00 175.76 174.79 3hkw s LEU 10 N -3.69 3.77 -0.21 0.00 1.02 -1.26 -4.85 118.68 113.46 3hkw s LEU 10 Ca 0.73 1.29 -0.29 0.00 0.02 0.00 0.00 54.13 55.88 3hkw s LEU 10 Cb -0.37 -4.19 0.01 0.00 0.02 0.00 0.00 46.19 41.66 3hkw s LEU 10 CO 0.43 -0.46 1.04 -0.69 0.02 0.00 0.00 176.35 176.69 3hkw s VAL 11 N -2.45 4.69 0.09 -1.59 1.01 -1.26 -4.81 120.40 116.08 3hkw s VAL 11 Ca 0.54 2.02 0.06 0.00 0.00 0.00 0.00 61.98 64.60 3hkw s VAL 11 Cb -0.10 -4.30 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 3hkw s VAL 11 CO 0.31 -0.15 -0.05 0.42 0.00 0.00 0.00 175.10 175.62 3hkw s THR 12 N 3.03 3.69 0.65 3.92 -4.23 -1.26 -4.86 115.64 116.58 3hkw s THR 12 Ca 0.45 -1.09 -0.11 0.00 -1.18 0.00 0.00 61.69 59.75 3hkw s THR 12 Cb -0.16 -2.73 -0.02 0.00 1.34 0.00 0.00 72.50 70.93 3hkw s THR 12 CO 0.08 0.14 1.05 -2.16 -0.54 0.00 0.00 174.62 173.19 3hkw s PRO 13 N -2.17 3.36 0.00 3.99 0.04 -1.26 -4.40 135.00 134.56 3hkw s PRO 13 Ca 0.23 0.69 0.09 0.00 0.04 0.00 0.00 61.00 62.04 3hkw s PRO 13 Cb -0.11 -2.06 0.22 0.00 0.04 0.00 0.00 34.50 32.58 3hkw s PRO 13 CO 0.15 -0.73 1.14 0.00 0.04 0.00 0.00 177.00 177.60 3hkw s ALA 15 N -0.96 -1.79 0.49 0.00 0.00 -1.26 -5.14 121.76 113.09 3hkw s ALA 15 Ca 0.17 0.06 -0.23 0.00 0.00 0.00 0.00 51.96 51.96 3hkw s ALA 15 Cb 0.09 0.64 -0.07 0.00 0.00 0.00 0.00 23.12 23.79 3hkw s ALA 15 CO 0.12 -1.06 1.33 0.00 0.00 0.00 0.00 175.76 176.15 3hkw s ALA 16 N -2.65 3.00 -0.26 0.00 0.00 -1.26 -5.00 121.76 115.59 3hkw s ALA 16 Ca 0.17 1.28 0.02 0.00 0.00 0.00 0.00 51.96 53.43 3hkw s ALA 16 Cb -0.01 -3.53 0.06 0.00 0.00 0.00 0.00 23.12 19.65 3hkw s ALA 16 CO 0.02 -1.13 -0.08 -1.21 0.00 0.00 0.00 175.76 173.36 3hkw s GLU 17 N -2.67 2.00 0.13 0.00 2.02 -1.26 -5.10 118.70 113.82 3hkw s GLU 17 Ca 0.66 -1.25 -0.31 0.00 0.02 0.00 0.00 54.97 54.08 3hkw s GLU 17 Cb -0.39 -2.80 -0.08 0.00 0.10 0.00 0.00 34.13 30.96 3hkw s GLU 17 CO 0.47 -0.60 1.38 -2.00 0.02 0.00 0.00 175.26 174.54 3hkw s GLU 18 N 1.19 4.33 -0.22 1.61 2.12 -1.26 -4.95 118.70 121.51 3hkw s GLU 18 Ca -0.07 2.09 0.05 0.00 0.36 0.00 0.00 54.97 57.40 3hkw s GLU 18 Cb -0.20 -3.23 -0.20 0.00 0.26 0.00 0.00 34.13 30.76 3hkw s GLU 18 CO -0.06 -0.42 -0.07 1.04 -0.54 0.00 0.00 175.26 175.22 3hkw n GLN 19 N 3.73 0.67 -4.64 4.30 6.02 -1.26 -4.55 117.38 121.65 3hkw n GLN 19 Ca 0.11 0.13 -0.31 0.00 -0.01 0.00 0.00 57.00 56.91 3hkw n GLN 19 Cb 0.42 -1.55 -0.12 0.00 1.02 0.00 0.00 30.24 30.01 3hkw n GLN 19 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3hkw s LYS 20 N -2.52 2.22 0.04 -1.09 1.02 -1.26 -0.95 119.74 117.20 3hkw s LYS 20 Ca -0.27 -0.90 -0.33 0.00 0.02 0.00 0.00 55.97 54.49 3hkw s LYS 20 Cb 0.08 -2.27 -0.12 0.00 -0.52 0.00 0.00 37.83 35.00 3hkw s LYS 20 CO 0.68 0.56 1.78 -0.11 -0.92 0.00 0.00 175.35 177.34 3hkw n LEU 21 N 1.61 3.49 -4.76 3.17 7.94 -0.76 -4.93 117.00 122.77 3hkw n LEU 21 Ca -0.16 1.01 -0.32 0.00 -1.11 0.00 0.00 56.01 55.42 3hkw n LEU 21 Cb 0.52 -1.43 0.08 0.00 0.53 0.00 0.00 43.42 43.12 3hkw n LEU 21 CO 0.28 -0.07 0.73 -2.84 -1.11 0.00 0.00 177.39 174.38 3hkw s PRO 22 N 2.78 2.40 -0.19 1.96 0.02 -1.26 -4.83 135.00 135.87 3hkw s PRO 22 Ca 0.86 1.38 -0.25 0.00 0.02 0.00 0.00 61.00 63.01 3hkw s PRO 22 Cb -0.63 -1.90 -0.01 0.00 0.02 0.00 0.00 34.50 31.98 3hkw s PRO 22 CO 0.44 -1.56 0.81 0.42 -0.33 0.00 0.00 177.00 176.77 3hkw s ILE 23 N -2.49 4.88 -0.09 2.83 1.01 -1.26 -4.91 121.20 121.17 3hkw s ILE 23 Ca 0.66 1.57 -0.07 0.00 0.00 0.00 0.00 60.65 62.80 3hkw s ILE 23 Cb -0.21 -4.11 0.03 0.00 0.01 0.00 0.00 42.46 38.18 3hkw s ILE 23 CO 0.48 0.01 0.23 0.21 0.00 0.00 0.00 174.94 175.87 3hkw s ASN 24 N 1.22 -0.25 0.22 3.58 2.47 -1.26 -5.05 114.94 115.86 3hkw s ASN 24 Ca 0.36 0.48 -0.08 0.00 0.42 0.00 0.00 52.86 54.04 3hkw s ASN 24 Cb -0.16 0.45 0.29 0.00 -1.45 0.00 0.00 41.25 40.39 3hkw s ASN 24 CO 0.11 -0.10 1.78 0.00 -3.72 0.00 0.00 177.10 175.16 3hkw h ALA 25 N 6.16 0.91 -0.33 1.71 0.00 -1.98 0.74 119.26 126.47 3hkw h ALA 25 Ca -0.30 0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.52 3hkw h ALA 25 Cb 1.18 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.92 3hkw h ALA 25 CO 0.37 -0.05 -0.33 -0.07 0.00 0.00 0.00 179.25 179.16 3hkw h LEU 26 N 0.58 0.86 -0.54 0.00 3.38 -1.97 -1.27 115.31 116.35 3hkw h LEU 26 Ca 0.32 -0.47 -0.12 0.00 0.09 0.00 0.00 57.88 57.70 3hkw h LEU 26 Cb 0.32 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 3hkw h LEU 26 CO -0.25 1.15 -0.16 0.77 0.09 0.00 0.00 178.44 180.04 3hkw h SER 27 N 0.58 1.02 0.27 -0.43 4.64 -1.78 -2.79 113.55 115.05 3hkw h SER 27 Ca 0.05 -0.36 -0.03 0.00 -0.47 0.00 0.00 61.79 60.98 3hkw h SER 27 Cb 0.92 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3hkw h SER 27 CO 0.08 1.16 -0.14 -1.13 -0.87 0.00 0.00 176.83 175.93 3hkw h ASN 28 N 0.88 0.00 0.54 4.97 -1.24 -0.75 -1.48 115.58 118.50 3hkw h ASN 28 Ca 0.13 0.00 -0.05 0.00 0.71 0.00 0.00 56.30 57.08 3hkw h ASN 28 Cb 0.74 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.78 3hkw h ASN 28 CO 0.06 0.14 -0.26 0.77 -1.29 0.00 0.00 177.43 176.85 3hkw h SER 29 N 0.00 0.00 0.07 1.15 4.64 -0.94 -3.03 113.55 115.43 3hkw h SER 29 Ca -0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 3hkw h SER 29 Cb 0.32 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.42 3hkw h SER 29 CO 0.02 0.26 -0.41 0.25 -0.87 0.00 0.00 176.83 176.08 3hkw h LEU 30 N 0.00 0.23 -7.20 5.97 5.85 -1.31 -3.43 115.31 115.42 3hkw h LEU 30 Ca -0.00 -0.98 -0.25 0.00 0.84 0.00 0.00 57.88 57.49 3hkw h LEU 30 Cb 0.60 -0.08 -0.34 0.00 0.37 0.00 0.00 40.66 41.22 3hkw h LEU 30 CO 0.03 1.20 -0.57 -0.22 -0.34 0.00 0.00 178.44 178.54 3hkw s LEU 31 N -8.05 -0.22 -0.00 2.25 0.20 -0.74 -4.15 118.68 107.97 3hkw s LEU 31 Ca -0.16 0.47 0.20 0.00 0.69 0.00 0.00 54.13 55.33 3hkw s LEU 31 Cb -0.01 0.55 -0.21 0.00 -0.43 0.00 0.00 46.19 46.08 3hkw s LEU 31 CO 0.76 -0.25 0.58 0.54 -0.29 0.00 0.00 176.35 177.69 3hkw n ARG 32 N 5.34 0.65 -1.85 1.98 1.74 -0.02 -4.10 116.66 120.40 3hkw n ARG 32 Ca -0.06 -0.00 -0.41 0.00 -0.77 0.00 0.00 57.85 56.62 3hkw n ARG 32 Cb 0.50 -1.64 -0.01 0.00 -1.02 0.00 0.00 32.46 30.28 3hkw n ARG 32 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 3hkw n HIS 33 N -2.59 2.85 0.27 -1.55 8.25 -0.81 -4.71 115.22 116.94 3hkw n HIS 33 Ca -0.11 -2.92 0.13 0.00 -0.26 0.00 0.00 57.72 54.56 3hkw n HIS 33 Cb 0.75 -2.19 0.78 0.00 1.12 0.00 0.00 29.99 30.45 3hkw n HIS 33 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 3hkw h HIS 34 N 5.32 0.00 0.00 4.41 2.07 -1.86 -1.67 115.15 123.42 3hkw h HIS 34 Ca 0.64 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.16 3hkw h HIS 34 Cb 0.46 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.44 3hkw h HIS 34 CO 1.55 0.07 0.00 -0.91 -3.07 0.00 0.00 177.93 175.57 3hkw h ASN 35 N 0.00 0.00 1.79 3.10 -0.26 -1.88 -2.48 115.58 115.84 3hkw h ASN 35 Ca -0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3hkw h ASN 35 Cb 0.16 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.42 3hkw h ASN 35 CO 0.01 0.00 0.00 0.24 -1.06 0.00 0.00 177.43 176.62 3hkw h MET 36 N 0.00 0.00 -5.17 0.81 2.86 -1.70 -3.46 114.93 108.27 3hkw h MET 36 Ca 0.00 0.00 -0.64 0.00 -2.06 0.00 0.00 59.70 57.00 3hkw h MET 36 Cb 0.27 0.00 -0.21 0.00 0.06 0.00 0.00 31.60 31.72 3hkw h MET 36 CO 0.00 0.00 -0.64 0.08 1.06 0.00 0.00 176.91 177.41 3hkw s VAL 37 N -3.23 4.12 0.09 -2.22 1.01 -0.93 -0.44 120.40 118.79 3hkw s VAL 37 Ca 0.07 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.80 3hkw s VAL 37 Cb 0.07 -2.86 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 3hkw s VAL 37 CO 0.64 0.44 -0.05 -0.72 0.00 0.00 0.00 175.10 175.40 3hkw s TYR 38 N 0.83 0.82 -0.10 5.22 1.13 -0.41 -1.83 117.35 123.01 3hkw s TYR 38 Ca 0.01 -0.96 -0.02 0.00 -1.41 0.00 0.00 57.07 54.69 3hkw s TYR 38 Cb -0.14 -0.49 -0.03 0.00 -1.10 0.00 0.00 41.96 40.19 3hkw s TYR 38 CO 0.02 -0.22 -0.02 0.45 -2.51 0.00 0.00 175.55 173.28 3hkw s SER 39 N -3.02 5.04 0.58 -0.18 0.15 -0.13 -1.03 113.70 115.12 3hkw s SER 39 Ca 0.11 0.05 -0.19 0.00 0.70 0.00 0.00 55.95 56.62 3hkw s SER 39 Cb 0.06 -1.50 -0.04 0.00 -1.71 0.00 0.00 66.02 62.83 3hkw s SER 39 CO -0.05 0.32 1.21 0.42 1.20 0.00 0.00 173.24 176.33 3hkw s THR 40 N -0.54 2.67 0.25 6.45 -4.23 0.30 -4.75 115.64 115.79 3hkw s THR 40 Ca 0.09 0.43 -0.00 0.00 -1.18 0.00 0.00 61.69 61.02 3hkw s THR 40 Cb -0.12 -3.18 -0.03 0.00 1.34 0.00 0.00 72.50 70.51 3hkw s THR 40 CO 0.02 -0.08 0.23 0.42 -0.54 0.00 0.00 174.62 174.67 3hkw s THR 41 N -1.59 0.00 0.65 3.99 -4.23 -1.26 -4.04 115.64 109.15 3hkw s THR 41 Ca 0.76 -1.91 0.35 0.00 -1.18 0.00 0.00 61.69 59.71 3hkw s THR 41 Cb -0.30 -2.48 0.37 0.00 1.34 0.00 0.00 72.50 71.43 3hkw s THR 41 CO 0.33 0.00 2.13 0.77 -0.54 0.00 0.00 174.62 177.31 3hkw h SER 42 N 2.42 0.00 -0.22 3.99 4.64 -1.87 -2.55 113.55 119.96 3hkw h SER 42 Ca -0.32 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.07 3hkw h SER 42 Cb 1.24 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.33 3hkw h SER 42 CO 0.46 0.00 0.23 0.03 -0.87 0.00 0.00 176.83 176.68 3hkw h ARG 43 N 0.00 0.00 -0.55 4.77 3.08 -1.96 -1.45 114.38 118.28 3hkw h ARG 43 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.08 3hkw h ARG 43 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3hkw h ARG 43 CO -0.00 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 177.77 3hkw n SER 44 N -3.88 3.60 -0.26 7.04 3.41 -0.96 -4.63 113.62 117.94 3hkw n SER 44 Ca 0.03 -2.08 -0.00 0.00 -0.26 0.00 0.00 58.87 56.55 3hkw n SER 44 Cb 0.36 -0.39 0.20 0.00 -0.26 0.00 0.00 64.21 64.12 3hkw n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hkw h ALA 45 N 3.24 1.40 -0.94 7.33 0.00 -1.41 -2.45 119.26 126.42 3hkw h ALA 45 Ca 0.00 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 54.91 3hkw h ALA 45 Cb 0.94 -0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 3hkw h ALA 45 CO 0.03 0.55 0.60 0.00 0.00 0.00 0.00 179.25 180.43 3hkw h GLN 47 N 1.09 1.19 -0.22 0.00 4.20 -1.79 -1.74 115.11 117.84 3hkw h GLN 47 Ca 0.40 -0.16 -0.20 0.00 0.06 0.00 0.00 58.65 58.76 3hkw h GLN 47 Cb 0.16 -0.22 0.01 0.00 0.30 0.00 0.00 27.48 27.72 3hkw h GLN 47 CO -0.17 0.89 -0.65 -0.09 -0.67 0.00 0.00 178.83 178.15 3hkw h ARG 48 N 1.18 0.83 -0.58 1.46 9.65 -1.20 -2.75 114.38 122.97 3hkw h ARG 48 Ca 0.29 -0.60 0.07 0.00 -1.10 0.00 0.00 59.98 58.65 3hkw h ARG 48 Cb 0.08 0.10 -0.06 0.00 -1.39 0.00 0.00 29.97 28.70 3hkw h ARG 48 CO -0.04 1.22 0.25 1.96 2.80 0.00 0.00 179.97 186.15 3hkw h GLN 49 N 0.59 0.45 -0.47 0.20 4.20 -0.61 -0.96 115.11 118.50 3hkw h GLN 49 Ca -0.02 -0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.70 3hkw h GLN 49 Cb 1.27 -0.10 -0.04 0.00 0.30 0.00 0.00 27.48 28.91 3hkw h GLN 49 CO 0.14 0.30 0.25 -0.22 -0.67 0.00 0.00 178.83 178.63 3hkw h LYS 50 N 0.46 0.48 -0.47 1.46 3.64 -1.27 -2.92 116.57 117.96 3hkw h LYS 50 Ca 0.28 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.53 3hkw h LYS 50 Cb 0.28 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.97 3hkw h LYS 50 CO -0.24 0.32 -0.09 -0.22 -2.27 0.00 0.00 179.45 176.94 3hkw h LYS 51 N 0.50 0.85 -0.05 1.90 3.64 -0.92 -3.02 116.57 119.47 3hkw h LYS 51 Ca 0.20 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3hkw h LYS 51 Cb 0.08 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3hkw h LYS 51 CO -0.12 0.91 0.00 1.33 -2.27 0.00 0.00 179.45 179.30 3hkw n VAL 52 N -4.16 0.06 -3.72 2.00 0.24 -0.51 -4.74 118.33 107.50 3hkw n VAL 52 Ca 0.02 -0.18 -0.38 0.00 -2.04 0.00 0.00 64.34 61.76 3hkw n VAL 52 Cb 0.37 0.09 -0.12 0.00 -1.47 0.00 0.00 33.84 32.71 3hkw n VAL 52 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3hkw s THR 53 N -1.94 4.02 0.19 3.34 2.01 -1.13 -4.68 115.64 117.46 3hkw s THR 53 Ca 0.36 -0.92 -0.23 0.00 0.31 0.00 0.00 61.69 61.21 3hkw s THR 53 Cb 0.18 -3.20 0.05 0.00 0.01 0.00 0.00 72.50 69.55 3hkw s THR 53 CO 0.29 -0.10 0.71 0.72 -0.69 0.00 0.00 174.62 175.55 3hkw s PHE 54 N 1.47 -0.34 0.18 4.92 -0.71 -1.26 -4.98 117.98 117.26 3hkw s PHE 54 Ca 0.01 0.03 -0.25 0.00 -1.04 0.00 0.00 56.93 55.67 3hkw s PHE 54 Cb -0.19 0.63 -0.08 0.00 -1.21 0.00 0.00 43.02 42.17 3hkw s PHE 54 CO 0.04 -0.98 0.78 0.34 -1.34 0.00 0.00 175.22 174.05 3hkw s ASP 55 N -2.81 7.36 -0.20 1.98 2.15 -1.26 -1.05 116.67 122.84 3hkw s ASP 55 Ca 0.07 1.63 -0.05 0.00 0.43 0.00 0.00 52.55 54.62 3hkw s ASP 55 Cb -0.03 -2.49 -0.03 0.00 -0.30 0.00 0.00 42.92 40.07 3hkw s ASP 55 CO -0.03 0.18 0.01 -0.13 -0.17 0.00 0.00 175.17 175.03 3hkw s ARG 56 N -1.27 3.66 -0.21 4.34 3.00 -0.62 -4.95 118.95 122.90 3hkw s ARG 56 Ca 0.37 -0.50 -0.05 0.00 0.00 0.00 0.00 55.73 55.55 3hkw s ARG 56 Cb -0.22 -3.10 -0.02 0.00 0.00 0.00 0.00 34.95 31.60 3hkw s ARG 56 CO 0.26 0.03 0.00 -0.51 0.00 0.00 0.00 175.30 175.08 3hkw s LEU 57 N 0.96 3.23 -0.08 2.53 1.43 -1.26 -3.49 118.68 122.00 3hkw s LEU 57 Ca 0.02 -0.23 0.02 0.00 -1.03 0.00 0.00 54.13 52.91 3hkw s LEU 57 Cb -0.14 -1.83 0.01 0.00 0.03 0.00 0.00 46.19 44.26 3hkw s LEU 57 CO 0.02 0.04 -0.13 -1.58 0.23 0.00 0.00 176.35 174.93 3hkw s GLN 58 N 1.17 1.85 -0.14 1.70 0.74 -1.26 -3.97 119.66 119.74 3hkw s GLN 58 Ca 0.03 -0.44 -0.01 0.00 0.05 0.00 0.00 55.36 54.99 3hkw s GLN 58 Cb -0.14 -1.57 0.04 0.00 1.10 0.00 0.00 33.01 32.43 3hkw s GLN 58 CO 0.01 -0.02 -0.04 0.08 -0.55 0.00 0.00 175.29 174.77 3hkw s VAL 59 N 0.85 0.88 0.13 1.34 1.01 0.10 -5.02 120.40 119.69 3hkw s VAL 59 Ca -0.11 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.50 3hkw s VAL 59 Cb -0.15 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 3hkw s VAL 59 CO 0.01 0.18 0.24 -0.76 0.00 0.00 0.00 175.10 174.77 3hkw s LEU 60 N 1.74 4.25 0.00 3.92 1.43 -1.26 -4.10 118.68 124.66 3hkw s LEU 60 Ca 0.02 0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.30 3hkw s LEU 60 Cb -0.14 -2.84 -0.01 0.00 0.03 0.00 0.00 46.19 43.23 3hkw s LEU 60 CO -0.07 0.08 0.11 -0.90 0.23 0.00 0.00 176.35 175.80 3hkw n ASP 61 N -0.30 0.19 -0.01 2.29 5.68 -1.26 -5.04 116.55 118.10 3hkw n ASP 61 Ca -0.07 -2.03 -0.01 0.00 -0.50 0.00 0.00 54.79 52.18 3hkw n ASP 61 Cb 0.53 0.68 0.27 0.00 -1.14 0.00 0.00 41.12 41.46 3hkw n ASP 61 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 3hkw h SER 62 N 0.89 0.51 -0.62 -1.12 4.64 -1.99 -1.43 113.55 114.43 3hkw h SER 62 Ca -0.13 -0.11 -0.03 0.00 -0.47 0.00 0.00 61.79 61.06 3hkw h SER 62 Cb 0.57 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 62.50 3hkw h SER 62 CO 0.19 0.61 0.27 0.45 -0.87 0.00 0.00 176.83 177.48 3hkw h HIS 63 N 0.52 0.92 0.06 4.77 3.86 -1.97 0.67 115.15 123.97 3hkw h HIS 63 Ca 0.11 -0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.26 3hkw h HIS 63 Cb 0.38 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.57 3hkw h HIS 63 CO 0.01 0.72 -0.03 -0.92 0.86 0.00 0.00 177.93 178.57 3hkw h TYR 64 N 0.86 -0.07 -0.46 2.45 5.03 -1.77 -1.59 116.97 121.41 3hkw h TYR 64 Ca 0.21 -0.00 -0.05 0.00 2.58 0.00 0.00 58.73 61.47 3hkw h TYR 64 Cb 0.17 0.02 -0.02 0.00 1.55 0.00 0.00 36.73 38.45 3hkw h TYR 64 CO 0.01 -0.03 0.07 1.96 -1.32 0.00 0.00 178.16 178.85 3hkw h GLN 65 N -0.10 0.72 -0.49 1.82 1.08 -1.06 -1.54 115.11 115.54 3hkw h GLN 65 Ca -0.01 -0.15 -0.01 0.00 -1.45 0.00 0.00 58.65 57.03 3hkw h GLN 65 Cb 0.08 -0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.38 3hkw h GLN 65 CO 0.01 0.68 0.28 -0.44 -0.95 0.00 0.00 178.83 178.41 3hkw h ASP 66 N 0.69 0.60 -0.45 1.46 3.32 -0.63 -1.52 116.42 119.88 3hkw h ASP 66 Ca 0.15 -0.08 -0.12 0.00 0.02 0.00 0.00 57.03 57.00 3hkw h ASP 66 Cb 0.32 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3hkw h ASP 66 CO 0.00 0.50 -0.20 0.58 -1.72 0.00 0.00 179.24 178.40 3hkw h VAL 67 N 0.65 1.27 -0.81 -1.35 2.07 -1.00 -2.51 116.25 114.57 3hkw h VAL 67 Ca 0.17 -1.35 0.04 0.00 0.82 0.00 0.00 66.70 66.38 3hkw h VAL 67 Cb 0.02 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 3hkw h VAL 67 CO -0.03 0.46 0.51 0.25 0.02 0.00 0.00 177.57 178.79 3hkw h LEU 68 N 0.76 0.84 -0.74 2.57 5.85 -1.13 -0.95 115.31 122.52 3hkw h LEU 68 Ca 0.10 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3hkw h LEU 68 Cb 0.77 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 3hkw h LEU 68 CO 0.06 0.57 0.41 0.11 -0.34 0.00 0.00 178.44 179.25 3hkw h LYS 69 N 0.99 1.03 -0.39 1.25 1.57 -1.12 -0.29 116.57 119.61 3hkw h LYS 69 Ca 0.33 -0.12 0.04 0.00 -1.87 0.00 0.00 60.65 59.02 3hkw h LYS 69 Cb 0.04 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.11 3hkw h LYS 69 CO -0.13 0.77 0.18 0.93 -0.57 0.00 0.00 179.45 180.63 3hkw h GLU 70 N 1.02 0.35 -0.33 3.15 5.08 -0.92 -0.66 114.58 122.28 3hkw h GLU 70 Ca 0.26 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.57 3hkw h GLU 70 Cb 0.04 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3hkw h GLU 70 CO -0.04 0.23 0.11 0.28 -1.00 0.00 0.00 179.01 178.59 3hkw h VAL 71 N 0.36 1.20 -0.83 3.13 2.07 -0.85 -1.34 116.25 120.00 3hkw h VAL 71 Ca 0.17 -0.66 -0.02 0.00 0.82 0.00 0.00 66.70 67.02 3hkw h VAL 71 Cb 0.10 1.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 3hkw h VAL 71 CO -0.14 0.22 0.46 0.11 0.02 0.00 0.00 177.57 178.24 3hkw h LYS 72 N 0.38 1.15 -0.55 1.57 1.57 -0.90 0.20 116.57 120.00 3hkw h LYS 72 Ca 0.11 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 3hkw h LYS 72 Cb 0.24 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.30 3hkw h LYS 72 CO -0.00 0.84 0.28 0.00 -0.57 0.00 0.00 179.45 179.99 3hkw h ALA 73 N 1.34 0.70 -0.44 3.86 0.00 -0.88 -1.71 119.26 122.13 3hkw h ALA 73 Ca 0.29 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 3hkw h ALA 73 Cb 0.02 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3hkw h ALA 73 CO -0.05 0.25 -0.10 0.00 0.00 0.00 0.00 179.25 179.36 3hkw h ALA 74 N 1.11 1.00 -0.24 0.00 0.00 -0.75 -2.88 119.26 117.51 3hkw h ALA 74 Ca 0.19 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 3hkw h ALA 74 Cb 0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3hkw h ALA 74 CO -0.03 0.60 0.01 0.00 0.00 0.00 0.00 179.25 179.83 3hkw h ALA 75 N 1.18 1.57 0.00 0.00 0.00 -0.61 -2.45 119.26 118.95 3hkw h ALA 75 Ca 0.12 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3hkw h ALA 75 Cb 0.57 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3hkw h ALA 75 CO 0.04 0.32 0.00 -1.13 0.00 0.00 0.00 179.25 178.47 3hkw n SER 76 N -4.35 0.19 -0.06 0.00 3.41 -0.68 -1.04 113.62 111.09 3hkw n SER 76 Ca 0.00 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.30 3hkw n SER 76 Cb 0.19 -0.60 0.27 0.00 -0.26 0.00 0.00 64.21 63.81 3hkw n SER 76 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hkw n LYS 77 N -1.73 0.21 -3.19 4.33 5.02 -0.92 -4.69 118.16 117.18 3hkw n LYS 77 Ca 0.02 -0.12 -0.39 0.00 -2.02 0.00 0.00 58.31 55.80 3hkw n LYS 77 Cb 0.12 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.58 3hkw n LYS 77 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3hkw s VAL 78 N -2.88 4.76 -0.12 -0.18 1.01 -0.21 -4.97 120.40 117.81 3hkw s VAL 78 Ca 0.14 1.31 0.00 0.00 0.00 0.00 0.00 61.98 63.44 3hkw s VAL 78 Cb 0.18 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 3hkw s VAL 78 CO 0.66 0.48 -0.14 -0.75 0.00 0.00 0.00 175.10 175.35 3hkw s LYS 79 N -0.68 3.32 0.06 2.72 2.20 -1.26 -0.48 119.74 125.62 3hkw s LYS 79 Ca 0.31 -0.71 0.05 0.00 -0.36 0.00 0.00 55.97 55.27 3hkw s LYS 79 Cb -0.19 -2.59 -0.03 0.00 -1.51 0.00 0.00 37.83 33.51 3hkw s LYS 79 CO 0.19 0.23 -0.14 0.00 -0.36 0.00 0.00 175.35 175.27 3hkw s ALA 80 N 0.31 1.18 0.23 3.13 0.00 -0.62 -4.95 121.76 121.04 3hkw s ALA 80 Ca -0.11 -0.93 0.09 0.00 0.00 0.00 0.00 51.96 51.01 3hkw s ALA 80 Cb -0.16 -0.13 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 3hkw s ALA 80 CO 0.06 0.19 0.00 -0.80 0.00 0.00 0.00 175.76 175.21 3hkw s ASN 81 N -1.49 4.65 0.48 0.00 0.01 -1.26 -4.26 114.94 113.07 3hkw s ASN 81 Ca -0.00 -0.55 -0.22 0.00 -0.71 0.00 0.00 52.86 51.38 3hkw s ASN 81 Cb -0.09 -0.92 -0.07 0.00 0.41 0.00 0.00 41.25 40.58 3hkw s ASN 81 CO 0.02 0.03 1.13 -0.76 -1.51 0.00 0.00 177.10 176.00 3hkw s LEU 82 N -3.43 3.94 0.03 0.60 1.43 -1.26 -4.43 118.68 115.56 3hkw s LEU 82 Ca 0.30 2.19 -0.07 0.00 -1.03 0.00 0.00 54.13 55.52 3hkw s LEU 82 Cb -0.07 -4.37 -0.05 0.00 0.03 0.00 0.00 46.19 41.73 3hkw s LEU 82 CO 0.20 -0.93 0.30 -0.76 0.23 0.00 0.00 176.35 175.39 3hkw s LEU 83 N -3.24 4.36 0.79 1.79 1.02 -0.59 -5.05 118.68 117.76 3hkw s LEU 83 Ca 0.66 0.61 -0.11 0.00 0.02 0.00 0.00 54.13 55.31 3hkw s LEU 83 Cb -0.25 -2.77 0.07 0.00 0.02 0.00 0.00 46.19 43.26 3hkw s LEU 83 CO 0.30 0.23 1.09 -0.94 0.02 0.00 0.00 176.35 177.05 3hkw s SER 84 N -1.75 4.35 0.22 2.29 1.04 -1.26 -4.60 113.70 114.00 3hkw s SER 84 Ca 0.29 1.79 -0.07 0.00 0.48 0.00 0.00 55.95 58.44 3hkw s SER 84 Cb -0.13 -2.48 0.36 0.00 0.10 0.00 0.00 66.02 63.86 3hkw s SER 84 CO 0.17 -2.13 1.73 0.58 0.98 0.00 0.00 173.24 174.57 3hkw h VAL 85 N -1.19 0.68 -0.41 5.02 2.07 -1.99 -0.48 116.25 119.95 3hkw h VAL 85 Ca -0.44 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 66.96 3hkw h VAL 85 Cb 1.24 0.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 3hkw h VAL 85 CO 0.51 0.07 0.25 -0.08 0.02 0.00 0.00 177.57 178.35 3hkw h GLU 86 N 0.39 0.50 -0.40 1.57 4.81 -1.99 0.71 114.58 120.17 3hkw h GLU 86 Ca 0.36 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.56 3hkw h GLU 86 Cb 0.51 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.76 3hkw h GLU 86 CO -0.38 0.33 0.25 0.93 -0.73 0.00 0.00 179.01 179.41 3hkw h GLU 87 N 0.51 0.54 -0.65 1.92 5.08 -1.74 -1.88 114.58 118.37 3hkw h GLU 87 Ca 0.16 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.42 3hkw h GLU 87 Cb -0.01 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 3hkw h GLU 87 CO -0.06 0.40 0.20 0.00 -1.00 0.00 0.00 179.01 178.54 3hkw h ALA 88 N 1.11 0.86 -0.72 3.43 0.00 -0.76 -2.58 119.26 120.60 3hkw h ALA 88 Ca 0.14 -0.21 0.07 0.00 0.00 0.00 0.00 54.91 54.91 3hkw h ALA 88 Cb -0.01 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.47 3hkw h ALA 88 CO -0.03 0.53 0.40 0.00 0.00 0.00 0.00 179.25 180.16 3hkw h SER 90 N 0.72 0.00 0.05 0.00 4.64 -0.94 -2.02 113.55 116.01 3hkw h SER 90 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3hkw h SER 90 Cb 0.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 3hkw h SER 90 CO -0.20 0.00 -0.06 0.18 -0.87 0.00 0.00 176.83 175.88 3hkw n LEU 91 N -2.55 1.27 -4.69 5.97 4.77 -0.95 -4.85 117.00 115.97 3hkw n LEU 91 Ca 0.01 -0.40 -0.41 0.00 -0.03 0.00 0.00 56.01 55.18 3hkw n LEU 91 Cb 0.22 -0.03 -0.04 0.00 -2.33 0.00 0.00 43.42 41.24 3hkw n LEU 91 CO 0.21 0.22 0.57 -0.89 -1.33 0.00 0.00 177.39 176.17 3hkw s THR 92 N -2.12 4.92 0.57 -5.08 2.01 -0.76 -0.10 115.64 115.08 3hkw s THR 92 Ca 0.35 1.66 -0.21 0.00 0.31 0.00 0.00 61.69 63.80 3hkw s THR 92 Cb 0.21 -4.14 -0.04 0.00 0.01 0.00 0.00 72.50 68.54 3hkw s THR 92 CO 0.38 0.10 1.34 -2.84 -0.69 0.00 0.00 174.62 172.91 3hkw s PRO 93 N 1.66 2.97 0.57 4.92 0.02 -1.26 -4.74 135.00 139.14 3hkw s PRO 93 Ca 0.40 2.19 0.27 0.00 0.02 0.00 0.00 61.00 63.88 3hkw s PRO 93 Cb -0.17 -2.14 1.66 0.00 0.02 0.00 0.00 34.50 33.87 3hkw s PRO 93 CO 0.16 -1.31 2.21 -1.00 -0.33 0.00 0.00 177.00 176.73 3hkw h PRO 94 N 1.20 0.00 -0.28 5.54 0.13 -1.96 -2.48 132.00 134.15 3hkw h PRO 94 Ca -0.51 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.53 3hkw h PRO 94 Cb 1.31 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.38 3hkw h PRO 94 CO 0.56 0.02 -0.04 0.72 -0.23 0.00 0.00 178.00 179.03 3hkw n HIS 95 N -3.95 0.93 -1.71 1.56 8.25 -1.26 -4.39 115.22 114.65 3hkw n HIS 95 Ca -0.03 -1.27 -0.40 0.00 -0.26 0.00 0.00 57.72 55.76 3hkw n HIS 95 Cb 0.11 -0.39 0.02 0.00 1.12 0.00 0.00 29.99 30.84 3hkw n HIS 95 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3hkw n SER 96 N -0.92 2.60 -4.71 0.41 2.88 -0.94 -4.87 113.62 108.08 3hkw n SER 96 Ca 0.27 1.08 -0.43 0.00 -1.33 0.00 0.00 58.87 58.46 3hkw n SER 96 Cb 0.94 -1.52 -0.02 0.00 -0.75 0.00 0.00 64.21 62.86 3hkw n SER 96 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hkw n ALA 97 N -0.38 1.97 -1.65 -1.46 0.00 -1.26 -4.22 120.51 113.51 3hkw n ALA 97 Ca 0.07 0.39 -0.37 0.00 0.00 0.00 0.00 53.44 53.54 3hkw n ALA 97 Cb 0.41 -2.39 0.08 0.00 0.00 0.00 0.00 19.45 17.54 3hkw n ALA 97 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3hkw s ARG 98 N -0.26 2.42 0.51 0.00 3.52 -1.26 -4.56 118.95 119.31 3hkw s ARG 98 Ca 0.67 2.04 -0.20 0.00 -0.13 0.00 0.00 55.73 58.11 3hkw s ARG 98 Cb -0.56 -1.83 -0.07 0.00 -1.56 0.00 0.00 34.95 30.92 3hkw s ARG 98 CO 0.47 -1.69 1.09 0.45 -0.81 0.00 0.00 175.30 174.81 3hkw s SER 99 N -1.48 6.04 0.00 -2.12 0.15 -0.15 -4.64 113.70 111.50 3hkw s SER 99 Ca 0.82 2.09 0.20 0.00 0.70 0.00 0.00 55.95 59.76 3hkw s SER 99 Cb -0.37 -2.58 0.99 0.00 -1.71 0.00 0.00 66.02 62.36 3hkw s SER 99 CO 0.41 -1.00 1.64 0.29 1.20 0.00 0.00 173.24 175.79 3hkw n LYS 100 N -1.05 0.23 -0.94 5.44 5.02 -1.26 -3.63 118.16 121.97 3hkw n LYS 100 Ca 0.10 0.11 -0.10 0.00 -2.02 0.00 0.00 58.31 56.40 3hkw n LYS 100 Cb 0.51 -1.50 0.21 0.00 -0.02 0.00 0.00 35.03 34.23 3hkw n LYS 100 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3hkw n PHE 101 N -1.33 1.86 -1.21 2.13 3.72 -1.26 -4.94 117.46 116.42 3hkw n PHE 101 Ca 0.09 -1.59 0.00 0.00 -0.05 0.00 0.00 57.45 55.89 3hkw n PHE 101 Cb 0.18 -0.65 0.00 0.00 -0.94 0.00 0.00 39.48 38.07 3hkw n PHE 101 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hkw n GLY 102 N -0.99 0.90 3.30 1.37 0.00 -1.24 -5.02 105.19 103.52 3hkw n GLY 102 Ca 0.42 -0.59 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 3hkw n GLY 102 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3hkw s TYR 103 N -2.00 -0.18 0.00 1.61 1.13 -1.26 -4.96 117.35 111.69 3hkw s TYR 103 Ca 0.00 -0.08 0.00 0.00 -1.41 0.00 0.00 57.07 55.58 3hkw s TYR 103 Cb 0.00 0.21 0.00 0.00 -1.10 0.00 0.00 41.96 41.07 3hkw s TYR 103 CO 0.00 -0.65 0.00 0.41 -2.51 0.00 0.00 175.55 172.80 3hkw n GLY 104 N -0.01 4.21 0.33 5.49 0.00 -1.26 -0.97 105.19 112.97 3hkw n GLY 104 Ca -0.17 -2.12 -0.03 0.00 0.00 0.00 0.00 46.02 43.71 3hkw n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hkw h ALA 105 N 1.00 1.10 -0.67 4.61 0.00 -1.84 -2.13 119.26 121.33 3hkw h ALA 105 Ca 0.00 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.87 3hkw h ALA 105 Cb 0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 3hkw h ALA 105 CO 0.00 0.47 0.44 -0.22 0.00 0.00 0.00 179.25 179.94 3hkw h LYS 106 N 1.14 0.86 -0.53 0.00 3.64 -1.89 0.91 116.57 120.71 3hkw h LYS 106 Ca 0.32 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.65 3hkw h LYS 106 Cb -0.10 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.50 3hkw h LYS 106 CO -0.08 0.57 0.34 -0.44 -2.27 0.00 0.00 179.45 177.57 3hkw h ASP 107 N 0.89 0.62 0.01 4.20 3.32 -1.87 -0.95 116.42 122.64 3hkw h ASP 107 Ca 0.25 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3hkw h ASP 107 Cb -0.08 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.31 3hkw h ASP 107 CO -0.06 0.47 -0.03 0.58 -1.72 0.00 0.00 179.24 178.48 3hkw h VAL 108 N 0.71 0.94 -0.16 -1.35 2.07 -0.88 0.76 116.25 118.34 3hkw h VAL 108 Ca 0.19 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.69 3hkw h VAL 108 Cb -0.06 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 3hkw h VAL 108 CO -0.04 0.00 -0.02 0.03 0.02 0.00 0.00 177.57 177.56 3hkw h ARG 109 N -0.05 0.24 -0.08 1.57 3.08 -0.52 -1.38 114.38 117.23 3hkw h ARG 109 Ca 0.01 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3hkw h ARG 109 Cb 0.06 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.07 3hkw h ARG 109 CO -0.02 0.28 0.00 0.00 -1.07 0.00 0.00 179.97 179.16 3hkw n HIS 111 N 0.09 -2.72 -1.73 0.00 8.25 -0.52 -4.96 115.22 113.63 3hkw n HIS 111 Ca 0.18 0.95 -0.40 0.00 -0.26 0.00 0.00 57.72 58.19 3hkw n HIS 111 Cb 0.31 -4.83 0.02 0.00 1.12 0.00 0.00 29.99 26.61 3hkw n HIS 111 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hkw n ALA 112 N -4.82 1.64 -0.10 -1.41 0.00 0.21 -4.82 120.51 111.20 3hkw n ALA 112 Ca 0.00 0.22 -0.04 0.00 0.00 0.00 0.00 53.44 53.63 3hkw n ALA 112 Cb 0.56 -2.33 0.17 0.00 0.00 0.00 0.00 19.45 17.85 3hkw n ALA 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hkw h ARG 113 N 2.00 0.77 -0.73 0.00 3.08 -1.93 -1.30 114.38 116.27 3hkw h ARG 113 Ca -0.50 -0.20 -0.04 0.00 0.07 0.00 0.00 59.98 59.31 3hkw h ARG 113 Cb 1.29 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 31.21 3hkw h ARG 113 CO 0.60 0.78 0.29 -0.22 -1.07 0.00 0.00 179.97 180.35 3hkw h LYS 114 N 0.72 1.10 0.07 0.04 3.64 -1.96 0.14 116.57 120.31 3hkw h LYS 114 Ca 0.14 -0.20 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3hkw h LYS 114 Cb 0.43 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3hkw h LYS 114 CO 0.02 0.90 -0.03 0.00 -2.27 0.00 0.00 179.45 178.07 3hkw h ALA 115 N 1.14 -0.09 -0.64 5.00 0.00 -1.80 -2.77 119.26 120.11 3hkw h ALA 115 Ca 0.24 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3hkw h ALA 115 Cb 0.21 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 3hkw h ALA 115 CO -0.02 -0.43 0.13 0.28 0.00 0.00 0.00 179.25 179.21 3hkw h VAL 116 N -0.34 1.25 -0.81 0.00 2.07 -1.09 0.49 116.25 117.81 3hkw h VAL 116 Ca -0.01 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 3hkw h VAL 116 Cb 0.30 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 3hkw h VAL 116 CO 0.02 0.36 0.48 0.74 0.02 0.00 0.00 177.57 179.19 3hkw h THR 117 N 0.97 1.23 -0.23 2.57 2.02 -0.78 -0.40 112.91 118.29 3hkw h THR 117 Ca 0.20 -0.52 -0.09 0.00 0.77 0.00 0.00 66.41 66.77 3hkw h THR 117 Cb 0.38 0.10 -0.00 0.00 -1.74 0.00 0.00 68.15 66.89 3hkw h THR 117 CO 0.01 0.24 -0.20 -0.74 0.37 0.00 0.00 175.52 175.20 3hkw h HIS 118 N 1.12 0.64 -0.45 3.16 6.17 -1.09 -2.25 115.15 122.44 3hkw h HIS 118 Ca 0.29 -0.19 0.07 0.00 0.71 0.00 0.00 60.37 61.26 3hkw h HIS 118 Cb -0.03 -0.14 -0.06 0.00 2.52 0.00 0.00 27.41 29.71 3hkw h HIS 118 CO -0.00 0.86 0.10 0.82 0.71 0.00 0.00 177.93 180.42 3hkw h ILE 119 N 0.23 0.77 -0.68 6.26 2.04 -0.78 -0.55 117.51 124.80 3hkw h ILE 119 Ca 0.04 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 3hkw h ILE 119 Cb 0.74 0.52 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 3hkw h ILE 119 CO 0.05 0.04 0.34 0.78 0.00 0.00 0.00 178.15 179.36 3hkw h ASN 120 N 0.24 0.87 -0.37 1.72 2.35 -1.01 -0.25 115.58 119.14 3hkw h ASN 120 Ca 0.22 -0.09 -0.11 0.00 -0.55 0.00 0.00 56.30 55.77 3hkw h ASN 120 Cb 0.27 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 3hkw h ASN 120 CO -0.28 0.73 -0.18 0.77 -1.65 0.00 0.00 177.43 176.82 3hkw h SER 121 N 0.96 0.85 -0.48 5.81 4.64 -0.76 -1.51 113.55 123.06 3hkw h SER 121 Ca 0.24 -0.29 -0.02 0.00 -0.47 0.00 0.00 61.79 61.24 3hkw h SER 121 Cb 0.08 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 61.92 3hkw h SER 121 CO -0.03 1.02 0.21 0.58 -0.87 0.00 0.00 176.83 177.73 3hkw h VAL 122 N 0.74 1.20 -0.29 0.95 2.07 -0.42 -1.12 116.25 119.39 3hkw h VAL 122 Ca 0.11 -0.61 0.01 0.00 0.82 0.00 0.00 66.70 67.03 3hkw h VAL 122 Cb 0.70 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 3hkw h VAL 122 CO 0.05 0.23 0.18 -0.25 0.02 0.00 0.00 177.57 177.80 3hkw h TRP 123 N 0.64 0.34 -0.84 1.57 2.91 -0.88 -0.45 115.95 119.23 3hkw h TRP 123 Ca 0.16 0.01 -0.00 0.00 1.13 0.00 0.00 58.89 60.19 3hkw h TRP 123 Cb 0.17 -0.11 -0.04 0.00 -0.51 0.00 0.00 29.16 28.66 3hkw h TRP 123 CO -0.00 0.21 0.51 -0.22 -1.03 0.00 0.00 178.44 177.91 3hkw h LYS 124 N 0.37 1.14 -0.25 2.65 3.64 -1.12 -1.84 116.57 121.16 3hkw h LYS 124 Ca 0.11 -0.10 -0.08 0.00 -1.27 0.00 0.00 60.65 59.31 3hkw h LYS 124 Cb -0.02 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.54 3hkw h LYS 124 CO -0.04 0.79 -0.20 0.22 -2.27 0.00 0.00 179.45 177.96 3hkw h ASP 125 N 1.15 0.44 -0.53 4.20 1.82 -0.75 -1.31 116.42 121.45 3hkw h ASP 125 Ca 0.30 -0.13 -0.04 0.00 -0.39 0.00 0.00 57.03 56.77 3hkw h ASP 125 Cb -0.06 -0.12 -0.03 0.00 0.68 0.00 0.00 39.33 39.81 3hkw h ASP 125 CO -0.06 0.65 0.18 -0.07 -1.61 0.00 0.00 179.24 178.33 3hkw h LEU 126 N 0.40 0.80 -0.71 2.28 3.38 -0.32 0.65 115.31 121.80 3hkw h LEU 126 Ca 0.07 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.78 3hkw h LEU 126 Cb 0.58 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3hkw h LEU 126 CO 0.04 0.76 -0.61 -0.07 0.09 0.00 0.00 178.44 178.65 3hkw h LEU 127 N 0.84 0.00 0.00 1.67 3.38 -0.83 -3.35 115.31 117.02 3hkw h LEU 127 Ca 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 3hkw h LEU 127 Cb 0.25 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 3hkw h LEU 127 CO -0.01 0.61 -1.82 -0.62 0.09 0.00 0.00 178.44 176.69 3hkw n GLU 128 N -3.70 0.65 -3.91 1.13 1.02 -0.54 -4.86 120.64 110.43 3hkw n GLU 128 Ca -0.01 -0.14 -0.27 0.00 -0.02 0.00 0.00 57.16 56.72 3hkw n GLU 128 Cb 0.63 -1.58 -0.17 0.00 -0.02 0.00 0.00 31.44 30.30 3hkw n GLU 128 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3hkw s ASP 129 N -4.68 2.39 -0.01 1.62 -1.08 0.20 -5.01 116.67 110.09 3hkw s ASP 129 Ca -0.07 -0.42 0.13 0.00 -0.52 0.00 0.00 52.55 51.68 3hkw s ASP 129 Cb 0.13 -0.88 0.37 0.00 -1.46 0.00 0.00 42.92 41.09 3hkw s ASP 129 CO 0.89 -0.13 1.31 -1.54 0.52 0.00 0.00 175.17 176.21 3hkw n SER 130 N 4.92 3.17 0.00 -0.34 3.41 -1.26 -4.54 113.62 118.97 3hkw n SER 130 Ca -0.13 -2.07 0.00 0.00 -0.26 0.00 0.00 58.87 56.41 3hkw n SER 130 Cb 0.49 -0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.15 3hkw n SER 130 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 3hkw n VAL 131 N 0.61 0.00 -2.02 -3.33 3.14 -1.26 -4.57 118.33 110.90 3hkw n VAL 131 Ca 0.14 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 61.10 3hkw n VAL 131 Cb 0.49 -0.58 -0.03 0.00 -1.06 0.00 0.00 33.84 32.67 3hkw n VAL 131 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 3hkw s THR 132 N -1.72 3.60 0.33 1.55 2.01 -1.26 -4.64 115.64 115.50 3hkw s THR 132 Ca 0.00 0.71 -0.28 0.00 0.31 0.00 0.00 61.69 62.44 3hkw s THR 132 Cb 0.00 -3.50 -0.13 0.00 0.01 0.00 0.00 72.50 68.89 3hkw s THR 132 CO 0.00 -0.10 1.17 -2.65 -0.69 0.00 0.00 174.62 172.34 3hkw n PRO 133 N 7.26 1.78 -3.29 4.92 -0.02 -1.26 -4.74 135.00 139.66 3hkw n PRO 133 Ca 0.18 0.63 -0.39 0.00 -2.02 0.00 0.00 63.50 61.90 3hkw n PRO 133 Cb 0.43 -2.13 -0.06 0.00 -0.02 0.00 0.00 33.50 31.72 3hkw n PRO 133 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hkw s ILE 134 N -1.10 4.85 0.57 4.25 1.01 0.51 -4.96 121.20 126.34 3hkw s ILE 134 Ca 0.57 1.16 -0.19 0.00 0.00 0.00 0.00 60.65 62.18 3hkw s ILE 134 Cb -0.61 -3.88 -0.04 0.00 0.01 0.00 0.00 42.46 37.94 3hkw s ILE 134 CO 0.61 0.51 1.21 -0.62 0.00 0.00 0.00 174.94 176.65 3hkw s ASP 135 N -0.77 5.31 0.09 3.58 2.15 -1.26 -4.38 116.67 121.39 3hkw s ASP 135 Ca 0.29 2.41 0.04 0.00 0.43 0.00 0.00 52.55 55.71 3hkw s ASP 135 Cb -0.19 -2.60 -0.03 0.00 -0.30 0.00 0.00 42.92 39.80 3hkw s ASP 135 CO 0.17 -1.51 -0.10 0.42 -0.17 0.00 0.00 175.17 173.98 3hkw s THR 136 N -1.57 0.91 -0.03 1.71 -4.23 -1.10 -4.38 115.64 106.95 3hkw s THR 136 Ca 0.75 -1.55 -0.11 0.00 -1.18 0.00 0.00 61.69 59.60 3hkw s THR 136 Cb -0.31 -1.25 -0.05 0.00 1.34 0.00 0.00 72.50 72.23 3hkw s THR 136 CO 0.34 -0.51 0.31 -0.89 -0.54 0.00 0.00 174.62 173.33 3hkw s THR 137 N -2.23 5.20 -0.16 3.99 2.01 0.23 -0.96 115.64 123.73 3hkw s THR 137 Ca 0.03 0.57 -0.03 0.00 0.31 0.00 0.00 61.69 62.57 3hkw s THR 137 Cb -0.04 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 68.84 3hkw s THR 137 CO 0.00 0.56 -0.05 -0.51 -0.69 0.00 0.00 174.62 173.93 3hkw s ILE 138 N -1.10 3.70 0.07 1.82 2.07 -0.61 -1.83 121.20 125.33 3hkw s ILE 138 Ca 0.22 -0.42 0.03 0.00 -1.41 0.00 0.00 60.65 59.07 3hkw s ILE 138 Cb -0.15 -2.62 -0.03 0.00 0.13 0.00 0.00 42.46 39.80 3hkw s ILE 138 CO 0.11 0.49 -0.10 -0.04 -1.91 0.00 0.00 174.94 173.49 3hkw s MET 139 N 0.44 0.73 -0.13 3.50 -1.94 -0.26 -4.45 119.30 117.20 3hkw s MET 139 Ca -0.05 -0.99 -0.21 0.00 -1.71 0.00 0.00 55.69 52.73 3hkw s MET 139 Cb -0.15 -0.50 -0.03 0.00 2.01 0.00 0.00 34.83 36.16 3hkw s MET 139 CO 0.03 0.09 0.64 0.00 -0.01 0.00 0.00 175.02 175.77 3hkw s ALA 140 N -1.90 3.45 0.42 3.03 0.00 -1.26 -0.72 121.76 124.78 3hkw s ALA 140 Ca -0.01 -0.09 -0.25 0.00 0.00 0.00 0.00 51.96 51.62 3hkw s ALA 140 Cb -0.06 -2.92 -0.08 0.00 0.00 0.00 0.00 23.12 20.06 3hkw s ALA 140 CO 0.00 -0.28 1.18 0.15 0.00 0.00 0.00 175.76 176.80 3hkw s LYS 141 N 1.26 3.96 -0.51 0.00 1.02 0.15 -4.72 119.74 120.90 3hkw s LYS 141 Ca 0.32 1.84 -0.10 0.00 0.02 0.00 0.00 55.97 58.05 3hkw s LYS 141 Cb -0.16 -2.60 0.13 0.00 -0.52 0.00 0.00 37.83 34.68 3hkw s LYS 141 CO 0.13 -0.40 0.40 -0.80 -0.92 0.00 0.00 175.35 173.76 3hkw s ASN 142 N -1.18 5.80 0.07 2.83 0.02 -1.26 -4.30 114.94 116.92 3hkw s ASN 142 Ca 0.59 -2.02 0.08 0.00 -1.02 0.00 0.00 52.86 50.49 3hkw s ASN 142 Cb -0.30 -2.04 -0.03 0.00 0.02 0.00 0.00 41.25 38.90 3hkw s ASN 142 CO 0.38 -0.68 -0.23 -1.61 0.02 0.00 0.00 177.10 174.98 3hkw s GLU 143 N 1.20 1.39 -0.13 -0.60 2.02 -1.26 -4.86 118.70 116.46 3hkw s GLU 143 Ca 0.07 -1.08 -0.07 0.00 0.02 0.00 0.00 54.97 53.91 3hkw s GLU 143 Cb -0.25 -1.61 -0.04 0.00 0.10 0.00 0.00 34.13 32.33 3hkw s GLU 143 CO -0.01 0.40 0.12 0.08 0.02 0.00 0.00 175.26 175.87 3hkw s VAL 144 N -0.93 5.37 0.23 2.63 1.01 -1.26 -0.54 120.40 126.91 3hkw s VAL 144 Ca 0.09 0.16 -0.06 0.00 0.00 0.00 0.00 61.98 62.17 3hkw s VAL 144 Cb -0.09 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 3hkw s VAL 144 CO 0.03 0.58 0.29 -0.36 0.00 0.00 0.00 175.10 175.64 3hkw s PHE 145 N -0.72 0.85 -0.09 5.22 0.08 -0.19 -4.71 117.98 118.41 3hkw s PHE 145 Ca 0.13 -1.12 -0.05 0.00 0.12 0.00 0.00 56.93 56.01 3hkw s PHE 145 Cb -0.12 -0.24 -0.04 0.00 -0.57 0.00 0.00 43.02 42.05 3hkw s PHE 145 CO 0.03 -0.81 0.14 0.00 -0.10 0.00 0.00 175.22 174.47 3hkw s VAL 147 N -1.09 2.05 -0.43 0.00 -7.23 0.41 -4.99 120.40 109.13 3hkw s VAL 147 Ca 0.18 0.03 0.05 0.00 -1.81 0.00 0.00 61.98 60.43 3hkw s VAL 147 Cb -0.12 -3.01 0.19 0.00 0.56 0.00 0.00 36.38 34.00 3hkw s VAL 147 CO 0.07 -0.00 0.40 0.00 -0.31 0.00 0.00 175.10 175.26 3hkw n GLN 148 N -1.62 0.47 -2.26 4.82 1.13 -1.17 -5.05 117.38 113.69 3hkw n GLN 148 Ca 0.14 -3.30 -0.40 0.00 -1.94 0.00 0.00 57.00 51.50 3hkw n GLN 148 Cb 0.47 -1.61 -0.03 0.00 0.11 0.00 0.00 30.24 29.18 3hkw n GLN 148 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 3hkw s PRO 149 N -0.39 2.87 0.00 -1.09 0.04 -1.26 -2.99 135.00 132.17 3hkw s PRO 149 Ca 0.33 0.23 0.00 0.00 0.04 0.00 0.00 61.00 61.60 3hkw s PRO 149 Cb 0.07 -4.30 0.00 0.00 0.04 0.00 0.00 34.50 30.31 3hkw s PRO 149 CO -0.17 -2.48 0.43 0.41 0.04 0.00 0.00 177.00 175.23 3hkw n GLY 152 N 5.57 0.88 7.00 0.56 0.00 -1.26 -5.15 105.19 112.78 3hkw n GLY 152 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3hkw n GLY 152 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hkw n GLY 153 N 0.75 1.57 3.84 -0.02 0.00 -1.16 -4.86 105.19 105.30 3hkw n GLY 153 Ca 0.00 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 3hkw n GLY 153 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hkw s ARG 154 N 0.00 3.70 0.28 1.61 0.52 -1.26 -3.04 118.95 120.76 3hkw s ARG 154 Ca 0.00 -0.04 -0.29 0.00 -0.52 0.00 0.00 55.73 54.88 3hkw s ARG 154 Cb 0.00 -3.25 -0.10 0.00 0.52 0.00 0.00 34.95 32.12 3hkw s ARG 154 CO 0.00 0.65 1.14 0.15 0.02 0.00 0.00 175.30 177.25 3hkw s LYS 155 N -0.70 4.59 0.69 3.54 1.02 -1.26 -5.02 119.74 122.60 3hkw s LYS 155 Ca 0.15 1.87 -0.13 0.00 0.02 0.00 0.00 55.97 57.89 3hkw s LYS 155 Cb -0.13 -3.17 0.01 0.00 -0.52 0.00 0.00 37.83 34.02 3hkw s LYS 155 CO 0.05 0.14 1.09 -1.25 -0.92 0.00 0.00 175.35 174.45 3hkw s PRO 156 N -1.46 2.73 0.39 -1.68 0.04 -1.26 -4.83 135.00 128.94 3hkw s PRO 156 Ca 0.45 1.24 -0.27 0.00 0.04 0.00 0.00 61.00 62.46 3hkw s PRO 156 Cb -0.33 -1.95 -0.10 0.00 0.04 0.00 0.00 34.50 32.15 3hkw s PRO 156 CO 0.43 -1.28 1.46 0.00 0.04 0.00 0.00 177.00 177.64 3hkw s ALA 157 N -2.62 3.48 0.71 8.56 0.00 -1.26 -4.95 121.76 125.68 3hkw s ALA 157 Ca 0.63 1.53 -0.11 0.00 0.00 0.00 0.00 51.96 54.01 3hkw s ALA 157 Cb -0.18 -3.60 0.02 0.00 0.00 0.00 0.00 23.12 19.37 3hkw s ALA 157 CO 0.47 -1.07 1.07 1.03 0.00 0.00 0.00 175.76 177.26 3hkw s ARG 158 N -2.18 2.71 -0.07 0.00 0.52 -1.26 -4.64 118.95 114.04 3hkw s ARG 158 Ca 0.55 1.07 0.02 0.00 -0.52 0.00 0.00 55.73 56.85 3hkw s ARG 158 Cb -0.45 -1.96 -0.03 0.00 0.52 0.00 0.00 34.95 33.03 3hkw s ARG 158 CO 0.61 -1.28 -0.11 -0.51 0.02 0.00 0.00 175.30 174.02 3hkw s LEU 159 N -5.57 2.90 -0.07 2.53 1.43 -1.26 -0.67 118.68 117.97 3hkw s LEU 159 Ca 0.60 -0.15 0.04 0.00 -1.03 0.00 0.00 54.13 53.59 3hkw s LEU 159 Cb -0.16 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 3hkw s LEU 159 CO 0.53 0.33 -0.18 -0.51 0.23 0.00 0.00 176.35 176.75 3hkw s ILE 160 N -0.61 2.68 -0.14 -0.59 1.10 0.11 -4.88 121.20 118.87 3hkw s ILE 160 Ca 0.09 -0.84 0.00 0.00 -0.51 0.00 0.00 60.65 59.39 3hkw s ILE 160 Cb -0.11 -2.04 0.03 0.00 0.15 0.00 0.00 42.46 40.48 3hkw s ILE 160 CO 0.01 0.57 -0.11 -0.69 -2.11 0.00 0.00 174.94 172.61 3hkw s VAL 161 N -0.32 1.38 -0.03 4.00 1.01 -1.26 -1.10 120.40 124.09 3hkw s VAL 161 Ca 0.02 -0.57 -0.08 0.00 0.00 0.00 0.00 61.98 61.35 3hkw s VAL 161 Cb -0.13 -1.36 0.01 0.00 0.00 0.00 0.00 36.38 34.91 3hkw s VAL 161 CO 0.02 0.37 0.18 0.72 0.00 0.00 0.00 175.10 176.40 3hkw s PHE 162 N 1.56 -0.08 0.86 5.22 -0.71 -0.76 -0.89 117.98 123.18 3hkw s PHE 162 Ca 0.04 0.16 -0.12 0.00 -1.04 0.00 0.00 56.93 55.97 3hkw s PHE 162 Cb -0.13 0.02 0.15 0.00 -1.21 0.00 0.00 43.02 41.84 3hkw s PHE 162 CO -0.09 -0.24 1.21 -1.25 -1.34 0.00 0.00 175.22 173.50 3hkw s PRO 163 N -0.85 1.24 0.68 1.99 0.04 -1.26 -0.60 135.00 136.24 3hkw s PRO 163 Ca -0.09 -0.41 -0.16 0.00 0.04 0.00 0.00 61.00 60.38 3hkw s PRO 163 Cb -0.05 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.52 3hkw s PRO 163 CO 0.01 -1.97 1.17 0.34 0.04 0.00 0.00 177.00 176.59 3hkw s ASP 164 N -4.76 4.71 0.29 6.66 2.15 -1.26 -4.73 116.67 119.73 3hkw s ASP 164 Ca 0.69 2.22 0.04 0.00 0.43 0.00 0.00 52.55 55.93 3hkw s ASP 164 Cb -0.06 -2.58 0.73 0.00 -0.30 0.00 0.00 42.92 40.71 3hkw s ASP 164 CO 0.50 -1.91 1.70 0.25 -0.17 0.00 0.00 175.17 175.54 3hkw h LEU 165 N 0.03 0.35 -0.87 -1.34 5.85 -1.82 0.27 115.31 117.78 3hkw h LEU 165 Ca -0.48 0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 3hkw h LEU 165 Cb 1.28 0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.39 3hkw h LEU 165 CO 0.52 0.01 0.52 1.23 -0.34 0.00 0.00 178.44 180.38 3hkw h GLY 166 N 0.41 1.27 1.10 3.75 0.00 -1.95 -1.60 103.07 106.05 3hkw h GLY 166 Ca 0.56 -0.54 -0.10 0.00 0.00 0.00 0.00 47.33 47.26 3hkw h GLY 166 CO -0.52 0.52 0.00 -2.08 0.00 0.00 0.00 176.54 174.46 3hkw h VAL 167 N 1.20 1.27 -0.89 4.60 2.07 -1.35 -2.64 116.25 120.50 3hkw h VAL 167 Ca 0.31 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 3hkw h VAL 167 Cb -0.04 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 3hkw h VAL 167 CO -0.06 0.42 0.52 0.03 0.02 0.00 0.00 177.57 178.50 3hkw h ARG 168 N 0.98 1.22 -0.62 1.57 3.08 -0.29 0.11 114.38 120.44 3hkw h ARG 168 Ca 0.17 -0.12 -0.07 0.00 0.07 0.00 0.00 59.98 60.04 3hkw h ARG 168 Cb 0.56 -0.25 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 3hkw h ARG 168 CO 0.03 0.86 0.13 0.28 -1.07 0.00 0.00 179.97 180.20 3hkw h VAL 169 N 1.23 1.26 -0.22 2.04 2.07 -1.23 -2.36 116.25 119.03 3hkw h VAL 169 Ca 0.32 -0.96 -0.07 0.00 0.82 0.00 0.00 66.70 66.82 3hkw h VAL 169 Cb -0.03 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 3hkw h VAL 169 CO -0.06 0.36 -0.15 0.00 0.02 0.00 0.00 177.57 177.74 3hkw h GLU 171 N 0.35 0.69 -0.44 0.00 5.08 -0.41 -1.57 114.58 118.27 3hkw h GLU 171 Ca 0.07 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3hkw h GLU 171 Cb 0.47 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 3hkw h GLU 171 CO 0.03 0.46 0.26 0.87 -1.00 0.00 0.00 179.01 179.63 3hkw h LYS 172 N 0.71 0.51 -0.56 2.33 1.57 -0.91 0.16 116.57 120.39 3hkw h LYS 172 Ca 0.22 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 59.01 3hkw h LYS 172 Cb -0.02 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.13 3hkw h LYS 172 CO -0.08 0.34 0.31 0.52 -0.57 0.00 0.00 179.45 179.97 3hkw h MET 173 N 0.53 0.58 0.01 3.15 2.86 -1.01 -0.87 114.93 120.18 3hkw h MET 173 Ca 0.17 -0.03 -0.24 0.00 -2.06 0.00 0.00 59.70 57.54 3hkw h MET 173 Cb 0.00 -0.13 0.01 0.00 0.06 0.00 0.00 31.60 31.54 3hkw h MET 173 CO -0.08 0.38 -1.00 0.00 1.06 0.00 0.00 176.91 177.28 3hkw h ALA 174 N 1.28 0.27 0.00 6.32 0.00 -1.02 -1.58 119.26 124.53 3hkw h ALA 174 Ca 0.24 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3hkw h ALA 174 Cb 0.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3hkw h ALA 174 CO -0.14 0.78 0.00 1.28 0.00 0.00 0.00 179.25 181.17 3hkw n LEU 175 N -3.77 0.16 -0.23 0.00 4.77 0.55 -4.75 117.00 113.73 3hkw n LEU 175 Ca -0.08 -0.30 -0.04 0.00 -0.03 0.00 0.00 56.01 55.56 3hkw n LEU 175 Cb 0.87 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 42.02 3hkw n LEU 175 CO 0.53 0.04 1.12 0.22 -1.33 0.00 0.00 177.39 177.97 3hkw h TYR 176 N 0.00 0.75 -0.26 -1.77 3.20 -1.22 -0.32 116.97 117.35 3hkw h TYR 176 Ca 0.00 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.79 3hkw h TYR 176 Cb 0.11 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 3hkw h TYR 176 CO 0.00 0.43 -0.26 0.22 -1.64 0.00 0.00 178.16 176.91 3hkw h ASP 177 N 0.79 0.51 0.15 -2.11 3.58 -1.79 -1.85 116.42 115.70 3hkw h ASP 177 Ca 0.26 -0.18 -0.01 0.00 0.42 0.00 0.00 57.03 57.52 3hkw h ASP 177 Cb 0.02 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 40.93 3hkw h ASP 177 CO -0.10 0.76 -0.07 0.58 -2.88 0.00 0.00 179.24 177.53 3hkw h VAL 178 N 0.44 0.96 0.00 2.25 2.07 -1.61 -2.32 116.25 118.05 3hkw h VAL 178 Ca 0.06 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3hkw h VAL 178 Cb 0.69 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 3hkw h VAL 178 CO 0.05 0.12 0.00 -0.37 0.02 0.00 0.00 177.57 177.40 3hkw h VAL 179 N -0.46 0.00 0.00 2.57 -1.51 -1.01 0.26 116.25 116.11 3hkw h VAL 179 Ca -0.02 -0.31 -0.19 0.00 -1.23 0.00 0.00 66.70 64.95 3hkw h VAL 179 Cb 0.36 1.12 -0.03 0.00 -2.13 0.00 0.00 31.29 30.61 3hkw h VAL 179 CO 0.03 0.00 -1.11 0.28 -1.23 0.00 0.00 177.57 175.54 3hkw h SER 180 N 0.00 0.00 0.00 4.19 0.02 -1.26 -3.42 113.55 113.08 3hkw h SER 180 Ca 0.00 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.69 3hkw h SER 180 Cb 0.43 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.92 3hkw h SER 180 CO 0.00 0.75 -2.00 0.29 -1.14 0.00 0.00 176.83 174.74 3hkw n LYS 181 N -3.13 0.88 -0.05 3.45 5.02 -0.88 -4.67 118.16 118.78 3hkw n LYS 181 Ca -0.05 0.07 -0.13 0.00 -2.02 0.00 0.00 58.31 56.17 3hkw n LYS 181 Cb 0.88 -1.36 -0.08 0.00 -0.02 0.00 0.00 35.03 34.46 3hkw n LYS 181 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3hkw h LEU 182 N 0.00 0.37 -0.26 -0.35 5.85 -1.19 -3.03 115.31 116.70 3hkw h LEU 182 Ca -0.39 -0.51 0.05 0.00 0.84 0.00 0.00 57.88 57.86 3hkw h LEU 182 Cb 1.70 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 42.58 3hkw h LEU 182 CO -0.03 0.81 -0.04 -0.65 -0.34 0.00 0.00 178.44 178.18 3hkw h PRO 183 N -0.06 0.03 -0.82 5.25 0.11 -1.81 -1.28 132.00 133.42 3hkw h PRO 183 Ca 0.01 -0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.16 3hkw h PRO 183 Cb 0.72 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.77 3hkw h PRO 183 CO 0.04 0.02 0.52 0.37 -0.21 0.00 0.00 178.00 178.74 3hkw h GLN 184 N 0.03 0.96 -0.36 1.05 5.75 -1.88 -2.04 115.11 118.62 3hkw h GLN 184 Ca 0.12 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 58.52 3hkw h GLN 184 Cb 0.18 -0.22 -0.02 0.00 1.07 0.00 0.00 27.48 28.49 3hkw h GLN 184 CO -0.24 0.64 0.02 0.00 -2.65 0.00 0.00 178.83 176.59 3hkw h ALA 185 N 1.36 1.37 0.00 3.38 0.00 -1.14 0.49 119.26 124.71 3hkw h ALA 185 Ca 0.34 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3hkw h ALA 185 Cb 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3hkw h ALA 185 CO -0.13 0.44 -1.53 1.33 0.00 0.00 0.00 179.25 179.36 3hkw n VAL 186 N -4.29 0.02 0.19 0.00 0.24 -0.61 -4.40 118.33 109.49 3hkw n VAL 186 Ca 0.02 -0.29 0.03 0.00 -2.04 0.00 0.00 64.34 62.05 3hkw n VAL 186 Cb 0.24 0.38 -0.04 0.00 -1.47 0.00 0.00 33.84 32.95 3hkw n VAL 186 CO 0.00 0.00 0.00 0.23 -2.14 0.00 0.00 176.83 174.92 3hkw n MET 187 N -1.96 3.81 0.00 7.34 2.81 -0.79 -4.80 117.12 123.53 3hkw n MET 187 Ca -0.00 -0.01 0.00 0.00 -1.81 0.00 0.00 57.70 55.87 3hkw n MET 187 Cb 0.47 -0.86 0.00 0.00 -0.71 0.00 0.00 33.22 32.12 3hkw n MET 187 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3hkw n GLY 188 N 1.41 3.40 0.25 3.03 0.00 0.16 -2.02 105.19 111.42 3hkw n GLY 188 Ca 0.00 -0.18 0.17 0.00 0.00 0.00 0.00 46.02 46.01 3hkw n GLY 188 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3hkw h SER 189 N 2.68 0.00 1.17 1.61 4.64 -1.96 -1.80 113.55 119.90 3hkw h SER 189 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hkw h SER 189 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3hkw h SER 189 CO 0.00 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.76 3hkw n SER 190 N -2.81 0.60 -4.62 4.97 7.64 -0.86 -4.73 113.62 113.82 3hkw n SER 190 Ca -0.00 0.58 -0.43 0.00 1.01 0.00 0.00 58.87 60.02 3hkw n SER 190 Cb 0.19 -0.73 -0.02 0.00 -1.01 0.00 0.00 64.21 62.64 3hkw n SER 190 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 3hkw s TYR 191 N -3.12 2.76 0.25 1.43 5.04 -0.68 -0.68 117.35 122.35 3hkw s TYR 191 Ca 0.10 0.86 0.14 0.00 -2.44 0.00 0.00 57.07 55.73 3hkw s TYR 191 Cb 0.13 -4.07 0.53 0.00 0.35 0.00 0.00 41.96 38.90 3hkw s TYR 191 CO 0.52 -1.46 1.69 0.78 -1.34 0.00 0.00 175.55 175.73 3hkw h GLY 192 N 11.04 0.00 1.32 8.97 0.00 -1.33 -3.22 103.07 119.85 3hkw h GLY 192 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.09 3hkw h GLY 192 CO 1.07 0.00 0.00 0.69 0.00 0.00 0.00 176.54 178.30 3hkw n PHE 193 N -3.74 0.00 1.49 5.60 3.72 -1.26 -2.64 117.46 120.63 3hkw n PHE 193 Ca -0.01 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.54 3hkw n PHE 193 Cb 0.55 -0.16 0.77 0.00 -0.94 0.00 0.00 39.48 39.70 3hkw n PHE 193 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hkw n GLN 194 N -1.16 0.50 -4.54 -1.08 10.64 -1.22 -3.23 117.38 117.30 3hkw n GLN 194 Ca 0.16 -0.01 -0.34 0.00 -1.83 0.00 0.00 57.00 54.98 3hkw n GLN 194 Cb 0.16 -1.50 -0.12 0.00 -0.86 0.00 0.00 30.24 27.92 3hkw n GLN 194 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.06 175.94 3hkw s TYR 195 N -2.51 2.97 1.06 2.61 2.02 -1.08 -4.74 117.35 117.69 3hkw s TYR 195 Ca 0.31 -0.15 -0.13 0.00 -0.37 0.00 0.00 57.07 56.73 3hkw s TYR 195 Cb 0.20 -1.82 0.22 0.00 -0.40 0.00 0.00 41.96 40.16 3hkw s TYR 195 CO 0.45 0.15 1.08 -1.54 -1.57 0.00 0.00 175.55 174.12 3hkw s SER 196 N -0.26 2.06 0.20 2.29 1.04 -1.26 -4.72 113.70 113.05 3hkw s SER 196 Ca 0.04 1.18 -0.11 0.00 0.48 0.00 0.00 55.95 57.54 3hkw s SER 196 Cb -0.13 -1.84 0.16 0.00 0.10 0.00 0.00 66.02 64.31 3hkw s SER 196 CO 0.02 -3.48 1.86 -0.65 0.98 0.00 0.00 173.24 171.97 3hkw h PRO 197 N -2.13 0.89 -0.90 4.02 0.11 -1.91 0.10 132.00 132.18 3hkw h PRO 197 Ca -0.56 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.51 3hkw h PRO 197 Cb 1.33 -0.20 -0.05 0.00 0.11 0.00 0.00 31.00 32.20 3hkw h PRO 197 CO 0.55 0.59 0.60 0.78 -0.21 0.00 0.00 178.00 180.31 3hkw h GLY 198 N 0.92 1.27 1.83 -0.55 0.00 -1.52 -1.48 103.07 103.55 3hkw h GLY 198 Ca 0.27 -0.47 -0.14 0.00 0.00 0.00 0.00 47.33 46.99 3hkw h GLY 198 CO -0.08 0.46 -0.61 1.46 0.00 0.00 0.00 176.54 177.77 3hkw h GLN 199 N 1.22 0.17 -0.27 4.80 4.20 -1.61 -2.17 115.11 121.45 3hkw h GLN 199 Ca 0.33 -0.12 -0.06 0.00 0.06 0.00 0.00 58.65 58.87 3hkw h GLN 199 Cb -0.13 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 3hkw h GLN 199 CO -0.08 0.73 -0.05 -0.09 -0.67 0.00 0.00 178.83 178.67 3hkw h ARG 200 N 0.13 0.50 -0.40 1.46 2.43 -0.25 -0.41 114.38 117.84 3hkw h ARG 200 Ca -0.01 -0.19 -0.09 0.00 -0.81 0.00 0.00 59.98 58.88 3hkw h ARG 200 Cb 1.11 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.61 3hkw h ARG 200 CO 0.09 0.71 -0.12 -0.24 -1.51 0.00 0.00 179.97 178.90 3hkw h VAL 201 N 0.26 1.25 -0.64 0.20 3.04 -1.29 -1.48 116.25 117.60 3hkw h VAL 201 Ca 0.07 -1.16 -0.02 0.00 -1.01 0.00 0.00 66.70 64.58 3hkw h VAL 201 Cb 0.52 1.08 -0.03 0.00 -2.01 0.00 0.00 31.29 30.85 3hkw h VAL 201 CO 0.02 0.39 0.32 -0.08 -1.01 0.00 0.00 177.57 177.21 3hkw h GLU 202 N 0.65 0.91 -0.19 4.17 4.81 -1.21 -1.21 114.58 122.53 3hkw h GLU 202 Ca 0.11 -0.13 0.02 0.00 -0.13 0.00 0.00 59.36 59.23 3hkw h GLU 202 Cb 0.58 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 3hkw h GLU 202 CO 0.04 0.72 0.07 0.35 -0.73 0.00 0.00 179.01 179.45 3hkw h PHE 203 N 0.88 0.12 -0.35 0.92 3.57 -0.73 -0.40 116.94 120.95 3hkw h PHE 203 Ca 0.22 0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.65 3hkw h PHE 203 Cb 0.10 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 3hkw h PHE 203 CO -0.00 0.06 -0.08 -0.07 -2.23 0.00 0.00 178.31 175.99 3hkw h LEU 204 N 0.16 0.68 -0.35 0.59 3.38 -1.09 -0.70 115.31 117.97 3hkw h LEU 204 Ca 0.08 -0.36 -0.04 0.00 0.09 0.00 0.00 57.88 57.64 3hkw h LEU 204 Cb 0.05 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 3hkw h LEU 204 CO -0.08 0.88 0.04 0.58 0.09 0.00 0.00 178.44 179.96 3hkw h VAL 205 N 0.46 1.24 -0.56 1.22 2.07 -1.16 -1.22 116.25 118.30 3hkw h VAL 205 Ca 0.09 -0.87 -0.07 0.00 0.82 0.00 0.00 66.70 66.67 3hkw h VAL 205 Cb 0.59 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.46 3hkw h VAL 205 CO 0.03 0.29 0.07 -0.61 0.02 0.00 0.00 177.57 177.38 3hkw h GLN 206 N 0.42 0.94 -0.59 1.57 5.75 -1.00 0.14 115.11 122.34 3hkw h GLN 206 Ca 0.10 -0.26 0.04 0.00 -0.15 0.00 0.00 58.65 58.38 3hkw h GLN 206 Cb 0.38 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.78 3hkw h GLN 206 CO 0.01 0.91 0.33 0.00 -2.65 0.00 0.00 178.83 177.43 3hkw h ALA 207 N 0.99 0.77 -0.12 3.38 0.00 -1.03 -1.00 119.26 122.25 3hkw h ALA 207 Ca 0.17 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3hkw h ALA 207 Cb 0.44 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3hkw h ALA 207 CO 0.01 0.02 0.04 2.35 0.00 0.00 0.00 179.25 181.68 3hkw h TRP 208 N 0.64 0.20 0.00 0.00 2.91 -0.95 -3.05 115.95 115.70 3hkw h TRP 208 Ca 0.25 -0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.21 3hkw h TRP 208 Cb 0.10 -0.06 -0.01 0.00 -0.51 0.00 0.00 29.16 28.69 3hkw h TRP 208 CO -0.08 0.32 -0.20 0.87 -1.03 0.00 0.00 178.44 178.33 3hkw h LYS 209 N 0.01 0.00 0.00 2.65 1.57 -0.77 -2.91 116.57 117.12 3hkw h LYS 209 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3hkw h LYS 209 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3hkw h LYS 209 CO -0.00 0.20 0.00 0.66 -0.57 0.00 0.00 179.45 179.74 3hkw h SER 210 N 0.00 0.00 -3.66 0.86 4.64 -1.06 -3.44 113.55 110.88 3hkw h SER 210 Ca -0.00 0.00 -0.50 0.00 -0.47 0.00 0.00 61.79 60.81 3hkw h SER 210 Cb 0.35 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.42 3hkw h SER 210 CO 0.03 0.00 0.30 -0.54 -0.87 0.00 0.00 176.83 175.75 3hkw s LYS 211 N -3.53 4.76 0.17 4.77 -0.14 -1.10 -4.97 119.74 119.69 3hkw s LYS 211 Ca 0.03 1.39 -0.14 0.00 -1.36 0.00 0.00 55.97 55.89 3hkw s LYS 211 Cb 0.08 -3.29 0.07 0.00 -1.68 0.00 0.00 37.83 33.01 3hkw s LYS 211 CO 0.56 0.49 1.82 -0.22 -0.76 0.00 0.00 175.35 177.24 3hkw h LYS 212 N 4.39 0.74 -2.37 1.68 3.64 -1.89 -3.38 116.57 119.38 3hkw h LYS 212 Ca -0.45 -0.06 -0.48 0.00 -1.27 0.00 0.00 60.65 58.39 3hkw h LYS 212 Cb 1.20 -0.16 -0.36 0.00 -0.41 0.00 0.00 32.23 32.50 3hkw h LYS 212 CO 0.68 0.52 -0.76 0.45 -2.27 0.00 0.00 179.45 178.07 3hkw s SER 213 N -5.76 2.36 0.38 4.20 0.15 -1.26 -5.08 113.70 108.69 3hkw s SER 213 Ca -0.13 -1.69 -0.25 0.00 0.70 0.00 0.00 55.95 54.58 3hkw s SER 213 Cb 0.12 0.01 -0.09 0.00 -1.71 0.00 0.00 66.02 64.36 3hkw s SER 213 CO 0.75 -0.33 1.09 -2.16 1.20 0.00 0.00 173.24 173.80 3hkw s PRO 214 N 1.50 4.20 0.01 5.44 0.04 -1.26 -0.15 135.00 144.79 3hkw s PRO 214 Ca 0.15 1.65 0.02 0.00 0.04 0.00 0.00 61.00 62.86 3hkw s PRO 214 Cb -0.18 -2.68 -0.01 0.00 0.04 0.00 0.00 34.50 31.66 3hkw s PRO 214 CO -0.11 -0.14 -0.06 1.41 0.04 0.00 0.00 177.00 178.14 3hkw s MET 215 N -2.27 0.43 0.14 4.56 1.75 -0.42 -4.69 119.30 118.80 3hkw s MET 215 Ca 0.56 -0.37 -0.10 0.00 -1.25 0.00 0.00 55.69 54.52 3hkw s MET 215 Cb -0.26 -0.33 -0.00 0.00 2.84 0.00 0.00 34.83 37.08 3hkw s MET 215 CO 0.33 0.08 0.29 0.20 -0.65 0.00 0.00 175.02 175.26 3hkw s GLY 216 N -0.63 0.26 0.15 2.11 0.00 -0.38 -0.32 107.32 108.51 3hkw s GLY 216 Ca -0.03 -0.69 -0.19 0.00 0.00 0.00 0.00 44.72 43.82 3hkw s GLY 216 CO -0.00 -0.74 0.49 -0.11 0.00 0.00 0.00 173.10 172.74 3hkw s PHE 217 N -3.92 -0.32 -0.02 1.90 -0.71 -0.22 -0.49 117.98 114.21 3hkw s PHE 217 Ca 0.12 0.04 -0.00 0.00 -1.04 0.00 0.00 56.93 56.05 3hkw s PHE 217 Cb 0.03 0.38 -0.04 0.00 -1.21 0.00 0.00 43.02 42.19 3hkw s PHE 217 CO -0.04 -0.78 0.05 -1.54 -1.34 0.00 0.00 175.22 171.57 3hkw s SER 218 N -2.79 5.50 -0.20 1.98 1.04 -1.26 -1.26 113.70 116.71 3hkw s SER 218 Ca 0.03 0.11 -0.02 0.00 0.48 0.00 0.00 55.95 56.55 3hkw s SER 218 Cb 0.01 -1.54 0.00 0.00 0.10 0.00 0.00 66.02 64.58 3hkw s SER 218 CO -0.11 0.29 -0.11 -0.47 0.98 0.00 0.00 173.24 173.81 3hkw s TYR 219 N -1.13 2.87 -0.47 5.02 6.14 -0.67 -4.61 117.35 124.50 3hkw s TYR 219 Ca 0.21 -1.17 -0.12 0.00 0.64 0.00 0.00 57.07 56.63 3hkw s TYR 219 Cb -0.12 -2.01 0.10 0.00 0.42 0.00 0.00 41.96 40.36 3hkw s TYR 219 CO 0.11 -0.61 0.36 0.34 0.64 0.00 0.00 175.55 176.40 3hkw s ASP 220 N 1.29 5.85 0.13 4.32 2.15 -1.26 -4.23 116.67 124.93 3hkw s ASP 220 Ca 0.04 -1.70 -0.30 0.00 0.43 0.00 0.00 52.55 51.01 3hkw s ASP 220 Cb -0.14 -2.07 -0.07 0.00 -0.30 0.00 0.00 42.92 40.34 3hkw s ASP 220 CO -0.06 -0.68 1.10 -0.89 -0.17 0.00 0.00 175.17 174.47 3hkw s THR 221 N 1.47 4.02 -0.15 1.71 2.01 -1.26 -0.66 115.64 122.78 3hkw s THR 221 Ca 0.04 1.64 -0.29 0.00 0.31 0.00 0.00 61.69 63.39 3hkw s THR 221 Cb -0.26 -4.05 -0.02 0.00 0.01 0.00 0.00 72.50 68.18 3hkw s THR 221 CO 0.02 0.23 1.37 -0.60 -0.69 0.00 0.00 174.62 174.96 3hkw s ARG 222 N 0.07 4.19 -0.92 4.92 3.00 -0.69 -4.00 118.95 125.52 3hkw s ARG 222 Ca 0.51 1.77 -0.09 0.00 -1.00 0.00 0.00 55.73 56.93 3hkw s ARG 222 Cb -0.28 -3.83 0.01 0.00 0.00 0.00 0.00 34.95 30.84 3hkw s ARG 222 CO 0.33 -0.78 0.64 0.00 0.00 0.00 0.00 175.30 175.49 3hkw h PHE 224 N -0.83 0.09 -0.99 0.00 3.04 -1.96 -1.31 116.94 114.97 3hkw h PHE 224 Ca -0.59 0.04 0.15 0.00 3.98 0.00 0.00 57.97 61.55 3hkw h PHE 224 Cb 1.36 0.05 -0.09 0.00 2.56 0.00 0.00 35.95 39.83 3hkw h PHE 224 CO 0.26 -0.09 0.62 -0.44 -2.02 0.00 0.00 178.31 176.64 3hkw h ASP 225 N 0.19 0.82 1.20 0.41 3.32 -1.92 0.43 116.42 120.88 3hkw h ASP 225 Ca 0.31 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.41 3hkw h ASP 225 Cb 0.49 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.95 3hkw h ASP 225 CO -0.45 0.38 -0.10 0.28 -1.72 0.00 0.00 179.24 177.63 3hkw h SER 226 N 0.85 0.00 1.55 6.45 0.02 -1.55 -2.37 113.55 118.49 3hkw h SER 226 Ca 0.52 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.47 3hkw h SER 226 Cb 0.70 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.24 3hkw h SER 226 CO -0.30 0.10 0.00 0.71 -1.14 0.00 0.00 176.83 176.20 3hkw h THR 227 N 0.00 0.00 -2.99 -2.27 1.35 -0.66 -3.44 112.91 104.91 3hkw h THR 227 Ca -0.00 -0.55 -0.56 0.00 -0.55 0.00 0.00 66.41 64.75 3hkw h THR 227 Cb 0.73 1.55 -0.04 0.00 -1.73 0.00 0.00 68.15 68.65 3hkw h THR 227 CO 0.01 0.00 0.83 -0.69 -0.25 0.00 0.00 175.52 175.42 3hkw s VAL 228 N -3.12 4.32 0.55 6.82 1.01 -1.09 -4.77 120.40 124.12 3hkw s VAL 228 Ca 0.10 1.62 -0.01 0.00 0.00 0.00 0.00 61.98 63.68 3hkw s VAL 228 Cb 0.11 -4.04 0.02 0.00 0.00 0.00 0.00 36.38 32.47 3hkw s VAL 228 CO 0.61 -0.10 0.80 0.42 0.00 0.00 0.00 175.10 176.83 3hkw s THR 229 N 3.06 3.19 0.28 3.92 -4.23 -1.26 -3.90 115.64 116.70 3hkw s THR 229 Ca 0.54 -0.44 -0.03 0.00 -1.18 0.00 0.00 61.69 60.58 3hkw s THR 229 Cb -0.22 -3.22 0.26 0.00 1.34 0.00 0.00 72.50 70.66 3hkw s THR 229 CO 0.16 -0.18 1.95 -0.33 -0.54 0.00 0.00 174.62 175.68 3hkw h GLU 230 N 0.03 1.18 -0.28 3.99 5.08 -1.86 -1.65 114.58 121.06 3hkw h GLU 230 Ca -0.44 -0.07 -0.12 0.00 -1.00 0.00 0.00 59.36 57.73 3hkw h GLU 230 Cb 1.28 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 3hkw h GLU 230 CO 0.56 0.78 -0.30 0.66 -1.00 0.00 0.00 179.01 179.71 3hkw h SER 231 N 1.21 0.61 -0.71 1.42 4.64 -1.96 -0.62 113.55 118.14 3hkw h SER 231 Ca 0.33 -0.23 0.08 0.00 -0.47 0.00 0.00 61.79 61.50 3hkw h SER 231 Cb -0.12 -0.17 -0.07 0.00 -0.31 0.00 0.00 62.40 61.73 3hkw h SER 231 CO -0.08 0.88 0.37 0.44 -0.87 0.00 0.00 176.83 177.57 3hkw h ASP 232 N 0.51 0.51 0.11 4.97 3.32 -1.73 0.16 116.42 124.26 3hkw h ASP 232 Ca 0.06 0.05 -0.21 0.00 0.02 0.00 0.00 57.03 56.95 3hkw h ASP 232 Cb 0.78 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.29 3hkw h ASP 232 CO 0.06 0.30 -0.81 0.40 -1.72 0.00 0.00 179.24 177.48 3hkw h ILE 233 N 0.64 1.34 -0.15 0.35 2.04 -0.85 -1.34 117.51 119.54 3hkw h ILE 233 Ca 0.34 -2.14 -0.10 0.00 1.00 0.00 0.00 64.86 63.96 3hkw h ILE 233 Cb 0.31 2.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.52 3hkw h ILE 233 CO -0.24 0.66 -0.36 0.03 0.00 0.00 0.00 178.15 178.23 3hkw h ARG 234 N 0.37 0.32 -0.71 2.37 3.08 -0.95 -2.37 114.38 116.50 3hkw h ARG 234 Ca -0.05 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 59.82 3hkw h ARG 234 Cb 1.42 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 31.43 3hkw h ARG 234 CO 0.15 0.64 0.31 1.15 -1.07 0.00 0.00 179.97 181.15 3hkw h THR 235 N 0.27 1.24 -0.74 2.04 2.02 -0.41 -1.18 112.91 116.15 3hkw h THR 235 Ca 0.03 -0.72 0.04 0.00 0.77 0.00 0.00 66.41 66.53 3hkw h THR 235 Cb 0.76 0.40 -0.05 0.00 -1.74 0.00 0.00 68.15 67.53 3hkw h THR 235 CO 0.06 0.29 0.45 1.05 0.37 0.00 0.00 175.52 177.75 3hkw h GLU 236 N 1.00 0.84 -0.73 6.66 4.11 -1.02 -0.83 114.58 124.61 3hkw h GLU 236 Ca 0.24 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.62 3hkw h GLU 236 Cb 0.17 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 3hkw h GLU 236 CO -0.02 0.55 0.46 1.49 0.07 0.00 0.00 179.01 181.56 3hkw h GLU 237 N 0.86 0.98 -0.66 1.06 4.22 -1.08 -0.70 114.58 119.26 3hkw h GLU 237 Ca 0.31 -0.08 -0.05 0.00 0.08 0.00 0.00 59.36 59.63 3hkw h GLU 237 Cb 0.08 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 3hkw h GLU 237 CO -0.14 0.68 0.23 0.00 -2.18 0.00 0.00 179.01 177.60 3hkw h ALA 238 N 1.25 1.16 -0.39 2.92 0.00 -0.44 -1.43 119.26 122.31 3hkw h ALA 238 Ca 0.26 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3hkw h ALA 238 Cb -0.07 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3hkw h ALA 238 CO -0.05 0.59 0.10 0.82 0.00 0.00 0.00 179.25 180.71 3hkw h ILE 239 N 0.96 1.22 -0.95 0.00 2.04 -0.79 -2.80 117.51 117.19 3hkw h ILE 239 Ca 0.22 -0.76 0.06 0.00 1.00 0.00 0.00 64.86 65.38 3hkw h ILE 239 Cb 0.24 0.97 -0.06 0.00 -0.74 0.00 0.00 36.82 37.23 3hkw h ILE 239 CO -0.01 0.27 0.62 1.88 0.00 0.00 0.00 178.15 180.90 3hkw h TYR 240 N 0.49 1.12 0.00 1.37 0.05 -0.69 -1.65 116.97 117.67 3hkw h TYR 240 Ca 0.12 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.93 3hkw h TYR 240 Cb 0.30 -0.37 0.00 0.00 1.01 0.00 0.00 36.73 37.67 3hkw h TYR 240 CO 0.02 0.59 0.00 1.04 -1.05 0.00 0.00 178.16 178.76 3hkw n GLN 241 N -4.49 0.06 0.24 4.88 1.13 -0.58 -2.21 117.38 116.42 3hkw n GLN 241 Ca 0.14 0.10 0.13 0.00 -1.94 0.00 0.00 57.00 55.43 3hkw n GLN 241 Cb 0.18 -1.50 0.56 0.00 0.11 0.00 0.00 30.24 29.59 3hkw n GLN 241 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3hkw s ASP 244 N -3.02 6.50 0.24 0.00 2.15 0.36 -4.97 116.67 117.94 3hkw s ASP 244 Ca 0.64 0.76 0.09 0.00 0.43 0.00 0.00 52.55 54.47 3hkw s ASP 244 Cb -0.19 -2.54 -0.05 0.00 -0.30 0.00 0.00 42.92 39.83 3hkw s ASP 244 CO 0.51 -1.31 -0.16 -0.76 -0.17 0.00 0.00 175.17 173.28 3hkw s LEU 245 N 4.92 2.57 0.39 -1.34 1.43 -1.26 -1.59 118.68 123.80 3hkw s LEU 245 Ca 0.56 -1.04 -0.26 0.00 -1.03 0.00 0.00 54.13 52.36 3hkw s LEU 245 Cb -0.12 -0.84 -0.09 0.00 0.03 0.00 0.00 46.19 45.17 3hkw s LEU 245 CO 0.31 -0.11 1.17 -0.62 0.23 0.00 0.00 176.35 177.33 3hkw s ASP 246 N -3.41 6.58 0.26 2.29 2.15 -1.26 -4.90 116.67 118.38 3hkw s ASP 246 Ca 0.26 2.35 -0.01 0.00 0.43 0.00 0.00 52.55 55.58 3hkw s ASP 246 Cb -0.02 -2.62 0.56 0.00 -0.30 0.00 0.00 42.92 40.55 3hkw s ASP 246 CO 0.11 -0.64 1.70 -0.65 -0.17 0.00 0.00 175.17 175.52 3hkw h PRO 247 N 2.73 0.35 -0.42 4.34 0.11 -2.00 -1.61 132.00 135.49 3hkw h PRO 247 Ca -0.49 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 3hkw h PRO 247 Cb 1.23 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3hkw h PRO 247 CO 0.63 0.23 -0.05 1.96 -0.21 0.00 0.00 178.00 180.56 3hkw h GLN 248 N 0.36 0.72 -0.89 1.05 4.20 -2.00 -2.55 115.11 115.99 3hkw h GLN 248 Ca 0.47 -0.20 0.01 0.00 0.06 0.00 0.00 58.65 58.99 3hkw h GLN 248 Cb 0.82 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.48 3hkw h GLN 248 CO -0.50 0.76 0.59 0.00 -0.67 0.00 0.00 178.83 179.02 3hkw h ALA 249 N 1.28 1.13 -0.74 3.87 0.00 -1.69 -1.10 119.26 122.02 3hkw h ALA 249 Ca 0.13 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3hkw h ALA 249 Cb 0.49 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3hkw h ALA 249 CO 0.03 0.53 0.28 0.00 0.00 0.00 0.00 179.25 180.08 3hkw h ARG 250 N 1.20 1.12 0.05 0.00 3.08 -0.98 0.15 114.38 119.00 3hkw h ARG 250 Ca 0.33 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 60.17 3hkw h ARG 250 Cb -0.13 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.74 3hkw h ARG 250 CO -0.07 0.92 -0.03 0.28 -1.07 0.00 0.00 179.97 180.00 3hkw h VAL 251 N 1.09 1.22 -0.96 2.04 2.07 -1.29 -2.61 116.25 117.80 3hkw h VAL 251 Ca 0.25 -0.94 0.02 0.00 0.82 0.00 0.00 66.70 66.85 3hkw h VAL 251 Cb 0.23 1.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.78 3hkw h VAL 251 CO -0.02 0.23 0.63 0.00 0.02 0.00 0.00 177.57 178.44 3hkw h ALA 252 N 0.42 1.23 -0.64 1.67 0.00 -0.91 -0.90 119.26 120.12 3hkw h ALA 252 Ca -0.01 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 3hkw h ALA 252 Cb 0.44 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3hkw h ALA 252 CO 0.01 0.59 0.07 0.82 0.00 0.00 0.00 179.25 180.74 3hkw h ILE 253 N 1.28 1.26 -0.35 0.00 2.04 -0.74 0.13 117.51 121.13 3hkw h ILE 253 Ca 0.36 -1.08 -0.05 0.00 1.00 0.00 0.00 64.86 65.09 3hkw h ILE 253 Cb -0.11 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 3hkw h ILE 253 CO -0.09 0.40 0.01 0.50 0.00 0.00 0.00 178.15 178.97 3hkw h LYS 254 N 1.01 0.62 -0.35 2.37 1.63 -1.07 -1.23 116.57 119.54 3hkw h LYS 254 Ca 0.19 -0.19 -0.01 0.00 -0.85 0.00 0.00 60.65 59.79 3hkw h LYS 254 Cb 0.48 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 32.04 3hkw h LYS 254 CO 0.02 0.73 0.18 0.77 -3.45 0.00 0.00 179.45 177.70 3hkw h SER 255 N 0.43 0.45 -0.73 4.20 0.02 -0.90 -0.97 113.55 116.04 3hkw h SER 255 Ca 0.10 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hkw h SER 255 Cb 0.45 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.84 3hkw h SER 255 CO 0.02 0.42 0.44 -0.07 -1.14 0.00 0.00 176.83 176.50 3hkw h LEU 256 N 0.44 0.89 0.14 5.07 3.38 -0.70 0.79 115.31 125.32 3hkw h LEU 256 Ca 0.12 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3hkw h LEU 256 Cb 0.08 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.61 3hkw h LEU 256 CO -0.02 0.69 -0.07 0.74 0.09 0.00 0.00 178.44 179.87 3hkw h THR 257 N 1.02 0.96 -0.01 0.22 2.02 -0.75 0.74 112.91 117.12 3hkw h THR 257 Ca 0.27 -0.45 -0.13 0.00 0.77 0.00 0.00 66.41 66.86 3hkw h THR 257 Cb -0.04 1.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.60 3hkw h THR 257 CO -0.05 0.11 -0.62 -0.33 0.37 0.00 0.00 175.52 175.00 3hkw h GLU 258 N -0.41 0.03 0.00 6.66 4.39 -0.95 -0.98 114.58 123.32 3hkw h GLU 258 Ca -0.02 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.59 3hkw h GLU 258 Cb 0.33 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 3hkw h GLU 258 CO 0.03 0.64 -1.80 0.54 -1.16 0.00 0.00 179.01 177.26 3hkw n ARG 259 N -3.81 0.65 0.08 2.33 1.74 0.25 -4.72 116.66 113.18 3hkw n ARG 259 Ca -0.01 -0.07 0.00 0.00 -0.77 0.00 0.00 57.85 57.00 3hkw n ARG 259 Cb 0.62 -1.61 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 3hkw n ARG 259 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3hkw n LEU 260 N -2.47 0.34 -0.14 0.55 7.94 -0.08 -0.36 117.00 122.78 3hkw n LEU 260 Ca -0.08 0.26 -0.11 0.00 -1.11 0.00 0.00 56.01 54.97 3hkw n LEU 260 Cb 0.67 0.05 0.02 0.00 0.53 0.00 0.00 43.42 44.69 3hkw n LEU 260 CO 0.44 -0.66 0.66 1.88 -1.11 0.00 0.00 177.39 178.60 3hkw h TYR 261 N 0.00 1.09 0.00 1.96 0.05 -0.69 -2.84 116.97 116.53 3hkw h TYR 261 Ca 0.00 -0.27 0.00 0.00 0.05 0.00 0.00 58.73 58.51 3hkw h TYR 261 Cb 0.11 -0.25 0.00 0.00 1.01 0.00 0.00 36.73 37.60 3hkw h TYR 261 CO 0.00 1.08 0.00 -0.39 -1.05 0.00 0.00 178.16 177.80 3hkw h VAL 262 N 0.81 0.00 0.00 -2.88 -1.51 -1.43 -3.41 116.25 107.82 3hkw h VAL 262 Ca 0.10 -0.44 0.00 0.00 -1.23 0.00 0.00 66.70 65.13 3hkw h VAL 262 Cb 0.82 1.32 0.00 0.00 -2.13 0.00 0.00 31.29 31.30 3hkw h VAL 262 CO 0.07 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.02 3hkw n GLY 263 N 0.28 -1.45 0.00 5.19 0.00 -1.07 -4.19 105.19 103.94 3hkw n GLY 263 Ca 0.02 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.48 3hkw n GLY 263 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hkw n GLY 264 N -1.34 0.79 3.78 -0.02 0.00 -0.62 -4.11 105.19 103.67 3hkw n GLY 264 Ca 0.00 -1.31 -0.34 0.00 0.00 0.00 0.00 46.02 44.36 3hkw n GLY 264 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hkw s PRO 265 N -1.92 3.45 -0.20 1.61 0.04 -1.26 -0.94 135.00 135.78 3hkw s PRO 265 Ca 0.00 1.49 -0.03 0.00 0.04 0.00 0.00 61.00 62.51 3hkw s PRO 265 Cb 0.00 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 3hkw s PRO 265 CO 0.00 -0.75 -0.08 -0.51 0.04 0.00 0.00 177.00 175.71 3hkw s LEU 266 N -3.83 2.78 -0.08 -3.56 1.43 0.24 -2.70 118.68 112.96 3hkw s LEU 266 Ca 0.70 -0.41 0.04 0.00 -1.03 0.00 0.00 54.13 53.43 3hkw s LEU 266 Cb -0.21 -1.69 -0.01 0.00 0.03 0.00 0.00 46.19 44.31 3hkw s LEU 266 CO 0.26 0.01 -0.20 -0.89 0.23 0.00 0.00 176.35 175.77 3hkw s THR 267 N 1.26 2.51 0.89 5.49 2.01 -0.13 -0.48 115.64 127.18 3hkw s THR 267 Ca 0.03 -0.89 -0.13 0.00 0.31 0.00 0.00 61.69 61.01 3hkw s THR 267 Cb -0.14 -1.98 0.15 0.00 0.01 0.00 0.00 72.50 70.54 3hkw s THR 267 CO -0.03 0.56 1.24 0.54 -0.69 0.00 0.00 174.62 176.24 3hkw s ASN 268 N -0.05 3.69 0.51 3.53 2.20 -0.20 -1.57 114.94 123.05 3hkw s ASN 268 Ca -0.05 0.37 0.34 0.00 -0.94 0.00 0.00 52.86 52.58 3hkw s ASN 268 Cb -0.14 -0.60 1.71 0.00 -2.00 0.00 0.00 41.25 40.22 3hkw s ASN 268 CO 0.04 -2.37 2.04 0.77 -2.94 0.00 0.00 177.10 174.64 3hkw h SER 269 N -1.33 0.00 -0.07 3.54 4.64 -1.78 -0.56 113.55 117.98 3hkw h SER 269 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3hkw h SER 269 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3hkw h SER 269 CO 0.47 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.72 3hkw n LYS 270 N -2.80 1.53 -0.85 4.77 5.02 -1.26 -4.93 118.16 119.64 3hkw n LYS 270 Ca -0.01 -0.78 0.00 0.00 -2.02 0.00 0.00 58.31 55.50 3hkw n LYS 270 Cb 0.15 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 3hkw n LYS 270 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3hkw n GLY 271 N 1.09 0.67 3.84 0.72 0.00 -0.22 -5.05 105.19 106.24 3hkw n GLY 271 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 3hkw n GLY 271 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3hkw s GLU 272 N -0.15 4.11 -0.34 1.61 2.02 -1.26 -4.79 118.70 119.89 3hkw s GLU 272 Ca 0.00 0.81 -0.29 0.00 0.02 0.00 0.00 54.97 55.52 3hkw s GLU 272 Cb 0.00 -2.45 0.01 0.00 0.10 0.00 0.00 34.13 31.79 3hkw s GLU 272 CO 0.00 0.15 1.22 1.21 0.02 0.00 0.00 175.26 177.86 3hkw s ASN 273 N -2.15 6.72 0.11 -0.19 3.04 -1.26 -1.04 114.94 120.17 3hkw s ASN 273 Ca 0.54 1.02 0.19 0.00 0.04 0.00 0.00 52.86 54.65 3hkw s ASN 273 Cb -0.11 -2.54 -0.10 0.00 -1.54 0.00 0.00 41.25 36.96 3hkw s ASN 273 CO 0.17 -1.07 0.88 0.00 -3.04 0.00 0.00 177.10 174.04 3hkw n GLY 275 N 1.32 0.15 3.02 0.00 0.00 -1.19 -1.12 105.19 107.37 3hkw n GLY 275 Ca -0.06 -1.29 -0.13 0.00 0.00 0.00 0.00 46.02 44.54 3hkw n GLY 275 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3hkw s TYR 276 N -3.65 -0.18 -0.12 1.61 5.04 -0.14 -0.60 117.35 119.31 3hkw s TYR 276 Ca 0.00 0.46 -0.04 0.00 -2.44 0.00 0.00 57.07 55.05 3hkw s TYR 276 Cb 0.00 0.03 -0.03 0.00 0.35 0.00 0.00 41.96 42.31 3hkw s TYR 276 CO 0.00 -0.11 0.02 0.50 -1.34 0.00 0.00 175.55 174.62 3hkw s ARG 277 N 0.36 3.38 -0.18 4.97 3.52 -0.12 -1.28 118.95 129.60 3hkw s ARG 277 Ca -0.02 -0.40 0.17 0.00 -0.13 0.00 0.00 55.73 55.35 3hkw s ARG 277 Cb -0.04 -2.94 0.45 0.00 -1.56 0.00 0.00 34.95 30.87 3hkw s ARG 277 CO -0.01 0.52 1.17 0.54 -0.81 0.00 0.00 175.30 176.71 3hkw n ARG 278 N 2.73 1.62 -1.91 5.12 1.74 0.06 -1.58 116.66 124.44 3hkw n ARG 278 Ca -0.18 -3.18 -0.00 0.00 -0.77 0.00 0.00 57.85 53.72 3hkw n ARG 278 Cb 0.53 -1.31 -0.00 0.00 -1.02 0.00 0.00 32.46 30.66 3hkw n ARG 278 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3hkw s ARG 280 N -2.01 4.15 0.01 0.00 6.06 -0.91 -4.53 118.95 121.73 3hkw s ARG 280 Ca 0.00 2.52 -0.30 0.00 -2.50 0.00 0.00 55.73 55.45 3hkw s ARG 280 Cb 0.00 -3.07 -0.03 0.00 0.06 0.00 0.00 34.95 31.90 3hkw s ARG 280 CO 0.00 -0.65 1.00 0.00 -2.50 0.00 0.00 175.30 173.15 3hkw s ALA 281 N 0.61 3.18 -0.36 6.12 0.00 -1.26 -4.79 121.76 125.26 3hkw s ALA 281 Ca 0.68 0.57 0.27 0.00 0.00 0.00 0.00 51.96 53.47 3hkw s ALA 281 Cb -0.47 -3.35 0.81 0.00 0.00 0.00 0.00 23.12 20.11 3hkw s ALA 281 CO 0.39 -0.24 1.76 0.66 0.00 0.00 0.00 175.76 178.33 3hkw h SER 282 N 6.75 0.00 -1.62 0.00 4.64 -1.90 -3.35 113.55 118.07 3hkw h SER 282 Ca -0.41 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.34 3hkw h SER 282 Cb 1.22 0.00 -0.42 0.00 -0.31 0.00 0.00 62.40 62.89 3hkw h SER 282 CO 0.75 0.00 -0.77 0.61 -0.87 0.00 0.00 176.83 176.55 3hkw n GLY 283 N 0.70 5.46 3.40 -0.77 0.00 -0.07 -4.51 105.19 109.40 3hkw n GLY 283 Ca 0.03 -2.61 -0.20 0.00 0.00 0.00 0.00 46.02 43.24 3hkw n GLY 283 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hkw s VAL 284 N -5.05 1.52 0.39 1.61 -7.23 -1.18 -4.34 120.40 106.13 3hkw s VAL 284 Ca 0.46 -2.11 0.07 0.00 -1.81 0.00 0.00 61.98 58.59 3hkw s VAL 284 Cb 0.38 -2.38 0.28 0.00 0.56 0.00 0.00 36.38 35.22 3hkw s VAL 284 CO -0.16 -0.34 2.02 0.25 -0.31 0.00 0.00 175.10 176.56 3hkw h LEU 285 N 2.35 0.54 -0.93 1.32 5.85 -1.80 -2.45 115.31 120.20 3hkw h LEU 285 Ca -0.39 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.32 3hkw h LEU 285 Cb 1.23 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.13 3hkw h LEU 285 CO 0.66 0.37 0.00 0.35 -0.34 0.00 0.00 178.44 179.48 3hkw n THR 286 N -4.47 0.15 -0.07 1.05 -2.24 -1.26 -4.34 114.28 103.10 3hkw n THR 286 Ca 0.06 -0.28 -0.09 0.00 -2.27 0.00 0.00 64.05 61.47 3hkw n THR 286 Cb 0.13 0.29 -0.02 0.00 -2.10 0.00 0.00 70.33 68.64 3hkw n THR 286 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 3hkw h THR 287 N 1.92 1.02 0.04 4.28 2.02 -1.71 0.32 112.91 120.80 3hkw h THR 287 Ca 0.00 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 3hkw h THR 287 Cb 0.42 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 3hkw h THR 287 CO 0.00 0.06 -0.02 -1.28 0.37 0.00 0.00 175.52 174.65 3hkw h SER 288 N 0.31 -0.04 -0.06 4.18 0.87 -1.76 -0.22 113.55 116.83 3hkw h SER 288 Ca 0.11 -0.44 0.02 0.00 -1.23 0.00 0.00 61.79 60.25 3hkw h SER 288 Cb 0.01 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 3hkw h SER 288 CO -0.06 0.42 -0.04 0.00 -0.53 0.00 0.00 176.83 176.62 3hkw h GLY 290 N -0.05 0.41 1.02 0.00 0.00 -0.37 -0.11 103.07 103.96 3hkw h GLY 290 Ca 0.04 -0.16 -0.04 0.00 0.00 0.00 0.00 47.33 47.18 3hkw h GLY 290 CO -0.09 0.15 0.29 3.43 0.00 0.00 0.00 176.54 180.32 3hkw h ASN 291 N 0.39 0.93 -0.29 0.19 2.35 -0.83 -0.89 115.58 117.43 3hkw h ASN 291 Ca 0.11 -0.16 -0.04 0.00 -0.55 0.00 0.00 56.30 55.65 3hkw h ASN 291 Cb -0.03 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.08 3hkw h ASN 291 CO -0.02 0.84 0.01 0.74 -1.65 0.00 0.00 177.43 177.35 3hkw h THR 292 N 0.97 1.25 -0.40 2.81 2.02 -0.65 0.36 112.91 119.27 3hkw h THR 292 Ca 0.23 -0.90 -0.01 0.00 0.77 0.00 0.00 66.41 66.50 3hkw h THR 292 Cb 0.18 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.84 3hkw h THR 292 CO -0.02 0.29 0.22 -0.07 0.37 0.00 0.00 175.52 176.31 3hkw h LEU 293 N 0.31 0.50 -0.35 2.58 3.38 -0.89 -0.20 115.31 120.64 3hkw h LEU 293 Ca 0.08 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3hkw h LEU 293 Cb 0.41 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3hkw h LEU 293 CO 0.01 0.45 -0.16 0.74 0.09 0.00 0.00 178.44 179.57 3hkw h THR 294 N 0.52 1.29 -0.52 0.22 2.02 -1.02 -0.25 112.91 115.17 3hkw h THR 294 Ca 0.14 -1.27 -0.00 0.00 0.77 0.00 0.00 66.41 66.05 3hkw h THR 294 Cb 0.06 1.37 -0.03 0.00 -1.74 0.00 0.00 68.15 67.81 3hkw h THR 294 CO -0.02 0.42 0.32 0.00 0.37 0.00 0.00 175.52 176.60 3hkw h TYR 296 N 0.70 0.35 -0.13 0.00 5.03 -0.80 0.13 116.97 122.26 3hkw h TYR 296 Ca 0.19 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.48 3hkw h TYR 296 Cb -0.02 -0.11 -0.01 0.00 1.55 0.00 0.00 36.73 38.14 3hkw h TYR 296 CO -0.03 0.32 0.05 0.82 -1.32 0.00 0.00 178.16 178.00 3hkw h ILE 297 N 0.28 1.16 -0.43 1.81 2.04 -0.95 0.12 117.51 121.54 3hkw h ILE 297 Ca 0.09 -0.48 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 3hkw h ILE 297 Cb 0.09 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 3hkw h ILE 297 CO -0.01 0.15 0.18 0.11 0.00 0.00 0.00 178.15 178.57 3hkw h LYS 298 N 0.04 0.65 -0.43 2.37 1.57 -1.24 -2.34 116.57 117.19 3hkw h LYS 298 Ca 0.04 -0.12 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 3hkw h LYS 298 Cb 0.19 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 3hkw h LYS 298 CO -0.00 0.60 -0.00 0.00 -0.57 0.00 0.00 179.45 179.47 3hkw h ALA 299 N 1.02 0.58 -0.63 3.86 0.00 -0.57 0.11 119.26 123.63 3hkw h ALA 299 Ca 0.15 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3hkw h ALA 299 Cb 0.19 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3hkw h ALA 299 CO -0.01 0.37 0.19 -0.09 0.00 0.00 0.00 179.25 179.71 3hkw h ARG 300 N 0.60 0.97 -0.49 0.00 2.43 -0.73 0.87 114.38 118.03 3hkw h ARG 300 Ca 0.12 -0.21 -0.05 0.00 -0.81 0.00 0.00 59.98 59.03 3hkw h ARG 300 Cb 0.49 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 3hkw h ARG 300 CO 0.02 0.86 0.13 0.00 -1.51 0.00 0.00 179.97 179.47 3hkw h ALA 301 N 1.07 0.65 -0.14 2.80 0.00 -1.31 -3.00 119.26 119.33 3hkw h ALA 301 Ca 0.20 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3hkw h ALA 301 Cb 0.29 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3hkw h ALA 301 CO -0.01 0.33 -0.23 0.00 0.00 0.00 0.00 179.25 179.34 3hkw h ALA 302 N 1.00 1.36 -0.76 0.00 0.00 -0.26 -1.25 119.26 119.34 3hkw h ALA 302 Ca 0.16 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 3hkw h ALA 302 Cb 0.31 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3hkw h ALA 302 CO -0.00 0.44 0.35 0.00 0.00 0.00 0.00 179.25 180.04 3hkw h ARG 304 N 1.09 0.41 -0.64 0.00 3.08 -1.22 -2.36 114.38 114.74 3hkw h ARG 304 Ca 0.26 -0.14 0.06 0.00 0.07 0.00 0.00 59.98 60.23 3hkw h ARG 304 Cb 0.14 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 3hkw h ARG 304 CO -0.03 0.61 0.42 0.00 -1.07 0.00 0.00 179.97 179.90 3hkw h ALA 305 N 0.78 1.75 0.00 0.04 0.00 -1.03 -2.17 119.26 118.63 3hkw h ALA 305 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3hkw h ALA 305 Cb 0.44 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3hkw h ALA 305 CO 0.02 0.15 -0.00 0.00 0.00 0.00 0.00 179.25 179.41 3hkw n ALA 306 N -2.47 2.31 -2.12 0.00 0.00 0.09 -4.88 120.51 113.45 3hkw n ALA 306 Ca 0.09 -0.06 -0.12 0.00 0.00 0.00 0.00 53.44 53.35 3hkw n ALA 306 Cb 0.21 -1.47 -0.01 0.00 0.00 0.00 0.00 19.45 18.18 3hkw n ALA 306 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hkw n GLY 307 N 1.40 0.05 3.75 0.00 0.00 -0.82 -4.63 105.19 104.95 3hkw n GLY 307 Ca 0.06 -0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 3hkw n GLY 307 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hkw s LEU 308 N -3.30 4.52 -0.18 0.99 1.43 -0.93 -5.01 118.68 116.20 3hkw s LEU 308 Ca 0.00 2.26 -0.08 0.00 -1.03 0.00 0.00 54.13 55.29 3hkw s LEU 308 Cb 0.00 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 3hkw s LEU 308 CO 0.00 -0.20 0.07 -1.10 0.23 0.00 0.00 176.35 175.34 3hkw s GLN 309 N -1.16 3.99 -1.21 1.70 -1.52 -1.26 -4.61 119.66 115.60 3hkw s GLN 309 Ca 0.46 -0.33 -0.03 0.00 -1.95 0.00 0.00 55.36 53.51 3hkw s GLN 309 Cb -0.32 -3.23 -0.01 0.00 -0.22 0.00 0.00 33.01 29.22 3hkw s GLN 309 CO 0.40 0.27 0.83 -0.25 -0.25 0.00 0.00 175.29 176.30 3hkw n ASP 310 N 3.54 -2.78 -4.77 5.90 9.92 -1.26 -1.14 116.55 125.96 3hkw n ASP 310 Ca -0.16 -0.76 -0.39 0.00 -0.53 0.00 0.00 54.79 52.94 3hkw n ASP 310 Cb 0.52 -4.49 -0.03 0.00 -0.64 0.00 0.00 41.12 36.48 3hkw n ASP 310 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3hkw s THR 312 N -1.29 1.95 0.09 0.00 2.01 0.12 -4.99 115.64 113.53 3hkw s THR 312 Ca 0.50 -0.92 0.08 0.00 0.31 0.00 0.00 61.69 61.66 3hkw s THR 312 Cb -0.32 -1.72 -0.04 0.00 0.01 0.00 0.00 72.50 70.43 3hkw s THR 312 CO 0.40 0.53 -0.16 -0.04 -0.69 0.00 0.00 174.62 174.67 3hkw s MET 313 N 0.79 1.98 -0.10 4.92 -1.94 -1.26 -0.83 119.30 122.86 3hkw s MET 313 Ca -0.08 -1.07 -0.01 0.00 -1.71 0.00 0.00 55.69 52.82 3hkw s MET 313 Cb -0.16 -2.20 0.03 0.00 2.01 0.00 0.00 34.83 34.51 3hkw s MET 313 CO -0.01 0.51 -0.04 -1.17 -0.01 0.00 0.00 175.02 174.31 3hkw s LEU 314 N -1.93 0.92 -0.11 -0.03 2.96 -0.17 -4.26 118.68 116.06 3hkw s LEU 314 Ca 0.18 -0.23 0.03 0.00 -0.22 0.00 0.00 54.13 53.88 3hkw s LEU 314 Cb -0.11 -0.65 0.01 0.00 0.50 0.00 0.00 46.19 45.94 3hkw s LEU 314 CO 0.09 -0.16 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.08 3hkw s VAL 315 N 1.83 1.79 -0.30 1.68 1.01 0.15 -1.79 120.40 124.77 3hkw s VAL 315 Ca 0.05 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 3hkw s VAL 315 Cb -0.13 -1.59 0.10 0.00 0.00 0.00 0.00 36.38 34.77 3hkw s VAL 315 CO -0.07 0.50 0.10 0.00 0.00 0.00 0.00 175.10 175.63 3hkw n GLY 317 N 4.92 3.59 0.11 0.00 0.00 -1.26 -0.78 105.19 111.77 3hkw n GLY 317 Ca -0.03 -0.03 0.15 0.00 0.00 0.00 0.00 46.02 46.11 3hkw n GLY 317 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hkw n ASP 318 N 5.12 0.35 -4.70 1.61 5.75 -1.26 -3.99 116.55 119.43 3hkw n ASP 318 Ca 0.00 -1.15 -0.39 0.00 -0.01 0.00 0.00 54.79 53.24 3hkw n ASP 318 Cb 0.00 -0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.03 3hkw n ASP 318 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3hkw s ASP 319 N -1.96 6.76 -0.06 -1.12 2.15 0.04 -4.67 116.67 117.80 3hkw s ASP 319 Ca 0.44 0.92 -0.01 0.00 0.43 0.00 0.00 52.55 54.33 3hkw s ASP 319 Cb 0.21 -2.34 0.03 0.00 -0.30 0.00 0.00 42.92 40.51 3hkw s ASP 319 CO 0.35 -0.14 -0.01 -0.22 -0.17 0.00 0.00 175.17 174.98 3hkw s LEU 320 N 1.17 0.84 -0.07 -1.34 2.96 -1.26 -1.20 118.68 119.77 3hkw s LEU 320 Ca 0.30 -0.10 0.04 0.00 -0.22 0.00 0.00 54.13 54.15 3hkw s LEU 320 Cb -0.16 -0.45 -0.01 0.00 0.50 0.00 0.00 46.19 46.07 3hkw s LEU 320 CO 0.12 -0.15 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.11 3hkw s VAL 321 N 1.64 2.44 -0.06 1.68 1.01 -0.74 -1.67 120.40 124.69 3hkw s VAL 321 Ca 0.00 -0.93 0.03 0.00 0.00 0.00 0.00 61.98 61.09 3hkw s VAL 321 Cb -0.13 -1.93 0.01 0.00 0.00 0.00 0.00 36.38 34.33 3hkw s VAL 321 CO -0.04 0.57 -0.16 -0.69 0.00 0.00 0.00 175.10 174.78 3hkw s VAL 322 N -0.18 1.39 -0.07 2.92 1.01 -0.39 -1.00 120.40 124.08 3hkw s VAL 322 Ca -0.02 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.35 3hkw s VAL 322 Cb -0.14 -1.23 0.00 0.00 0.00 0.00 0.00 36.38 35.02 3hkw s VAL 322 CO 0.03 0.41 -0.17 -0.63 0.00 0.00 0.00 175.10 174.74 3hkw s ILE 323 N 0.41 1.50 0.35 2.22 1.01 -0.01 -1.05 121.20 125.63 3hkw s ILE 323 Ca -0.12 -0.72 -0.01 0.00 0.00 0.00 0.00 60.65 59.80 3hkw s ILE 323 Cb -0.15 -1.31 0.00 0.00 0.01 0.00 0.00 42.46 41.01 3hkw s ILE 323 CO 0.04 0.43 0.47 0.00 0.00 0.00 0.00 174.94 175.89 3hkw s GLU 325 N -2.99 4.28 0.33 0.00 0.41 -0.30 -1.30 118.70 119.14 3hkw s GLU 325 Ca 0.31 0.91 -0.29 0.00 -0.41 0.00 0.00 54.97 55.49 3hkw s GLU 325 Cb -0.00 -3.57 -0.10 0.00 -1.78 0.00 0.00 34.13 28.67 3hkw s GLU 325 CO 0.22 -0.28 1.39 0.45 -0.49 0.00 0.00 175.26 176.55 3hkw s SER 326 N 1.15 6.61 0.00 -0.19 0.15 0.79 -4.39 113.70 117.82 3hkw s SER 326 Ca 0.36 2.80 0.18 0.00 0.70 0.00 0.00 55.95 60.00 3hkw s SER 326 Cb -0.16 -2.65 0.44 0.00 -1.71 0.00 0.00 66.02 61.94 3hkw s SER 326 CO 0.12 -0.67 1.37 0.00 1.20 0.00 0.00 173.24 175.25 3hkw n ALA 327 N 0.97 2.33 0.00 5.45 0.00 -1.26 -4.90 120.51 123.10 3hkw n ALA 327 Ca 0.02 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.33 3hkw n ALA 327 Cb 0.41 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.14 3hkw n ALA 327 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hkw n GLY 328 N 1.19 2.75 0.06 0.00 0.00 -1.26 -4.64 105.19 103.29 3hkw n GLY 328 Ca 0.18 -1.95 -0.13 0.00 0.00 0.00 0.00 46.02 44.12 3hkw n GLY 328 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hkw h VAL 329 N 0.00 1.15 -0.20 1.61 2.07 -1.98 0.12 116.25 119.02 3hkw h VAL 329 Ca 0.00 -0.53 -0.16 0.00 0.82 0.00 0.00 66.70 66.83 3hkw h VAL 329 Cb 0.00 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 3hkw h VAL 329 CO 0.00 0.14 -0.54 1.56 0.02 0.00 0.00 177.57 178.75 3hkw h GLN 330 N -0.26 0.59 -0.44 1.57 1.08 -1.99 -1.51 115.11 114.15 3hkw h GLN 330 Ca -0.00 -0.36 -0.03 0.00 -1.45 0.00 0.00 58.65 56.80 3hkw h GLN 330 Cb 0.25 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.70 3hkw h GLN 330 CO 0.00 0.97 0.15 0.93 -0.95 0.00 0.00 178.83 179.94 3hkw h GLU 331 N 0.45 0.67 -0.58 1.46 3.07 -1.80 -1.28 114.58 116.57 3hkw h GLU 331 Ca 0.01 -0.14 -0.02 0.00 -0.50 0.00 0.00 59.36 58.71 3hkw h GLU 331 Cb 1.08 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.87 3hkw h GLU 331 CO 0.10 0.64 0.28 -0.44 -1.40 0.00 0.00 179.01 178.20 3hkw h ASP 332 N 0.57 0.76 -0.59 1.42 3.32 -0.65 0.55 116.42 121.80 3hkw h ASP 332 Ca 0.14 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 3hkw h ASP 332 Cb 0.24 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 39.57 3hkw h ASP 332 CO -0.01 0.68 0.23 0.00 -1.72 0.00 0.00 179.24 178.42 3hkw h ALA 333 N 1.12 0.77 -0.61 3.45 0.00 -1.02 -1.16 119.26 121.81 3hkw h ALA 333 Ca 0.20 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3hkw h ALA 333 Cb 0.11 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3hkw h ALA 333 CO -0.03 0.40 0.08 0.00 0.00 0.00 0.00 179.25 179.70 3hkw h ALA 334 N 1.08 0.99 -0.56 0.00 0.00 -0.99 -2.37 119.26 117.41 3hkw h ALA 334 Ca 0.20 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3hkw h ALA 334 Cb 0.22 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3hkw h ALA 334 CO -0.01 0.63 0.11 0.66 0.00 0.00 0.00 179.25 180.64 3hkw h SER 335 N 0.94 0.82 -0.47 0.00 4.64 -0.38 -1.83 113.55 117.26 3hkw h SER 335 Ca 0.19 -0.16 -0.05 0.00 -0.47 0.00 0.00 61.79 61.30 3hkw h SER 335 Cb 0.43 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.29 3hkw h SER 335 CO 0.01 0.82 0.11 -0.07 -0.87 0.00 0.00 176.83 176.84 3hkw h LEU 336 N 0.83 0.72 -0.76 5.97 4.07 -1.04 0.32 115.31 125.42 3hkw h LEU 336 Ca 0.18 -0.23 0.09 0.00 0.08 0.00 0.00 57.88 57.99 3hkw h LEU 336 Cb 0.34 -0.19 -0.07 0.00 1.08 0.00 0.00 40.66 41.82 3hkw h LEU 336 CO 0.00 0.77 0.42 0.03 -1.08 0.00 0.00 178.44 178.58 3hkw h ARG 337 N 0.64 0.69 -0.49 1.13 3.08 -1.12 0.82 114.38 119.14 3hkw h ARG 337 Ca 0.15 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 60.06 3hkw h ARG 337 Cb 0.33 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 3hkw h ARG 337 CO 0.00 0.46 -0.10 0.00 -1.07 0.00 0.00 179.97 179.26 3hkw h ALA 338 N 1.43 0.90 -0.21 0.04 0.00 -1.03 -0.63 119.26 119.75 3hkw h ALA 338 Ca 0.37 -0.33 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3hkw h ALA 338 Cb 0.34 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3hkw h ALA 338 CO -0.24 0.64 0.02 0.35 0.00 0.00 0.00 179.25 180.01 3hkw h PHE 339 N 0.81 0.03 -0.71 0.00 3.04 -0.18 -0.94 116.94 118.97 3hkw h PHE 339 Ca 0.13 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.07 3hkw h PHE 339 Cb 0.62 0.02 -0.03 0.00 2.56 0.00 0.00 35.95 39.12 3hkw h PHE 339 CO 0.04 -0.01 0.36 1.15 -2.02 0.00 0.00 178.31 177.83 3hkw h THR 340 N 0.09 1.23 -0.52 4.41 2.02 -0.57 -0.60 112.91 118.97 3hkw h THR 340 Ca 0.10 -0.62 -0.04 0.00 0.77 0.00 0.00 66.41 66.61 3hkw h THR 340 Cb 0.11 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 66.82 3hkw h THR 340 CO -0.15 0.26 0.15 -0.33 0.37 0.00 0.00 175.52 175.83 3hkw h GLU 341 N 0.99 0.78 -0.04 6.66 5.08 -0.85 0.49 114.58 127.69 3hkw h GLU 341 Ca 0.25 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3hkw h GLU 341 Cb 0.09 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 3hkw h GLU 341 CO -0.03 0.68 -0.01 0.00 -1.00 0.00 0.00 179.01 178.65 3hkw h ALA 342 N 1.41 0.05 -0.90 3.43 0.00 -0.72 -1.38 119.26 121.16 3hkw h ALA 342 Ca 0.17 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.93 3hkw h ALA 342 Cb 0.24 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 3hkw h ALA 342 CO -0.01 -0.23 0.57 0.52 0.00 0.00 0.00 179.25 180.10 3hkw h MET 343 N -0.30 1.03 -0.27 0.00 2.86 -0.97 -1.17 114.93 116.12 3hkw h MET 343 Ca 0.01 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 3hkw h MET 343 Cb 0.42 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 3hkw h MET 343 CO 0.00 0.68 0.13 1.15 1.06 0.00 0.00 176.91 179.93 3hkw h THR 344 N 1.06 1.15 -0.85 2.22 2.02 -0.83 0.19 112.91 117.87 3hkw h THR 344 Ca 0.38 -0.42 0.10 0.00 0.77 0.00 0.00 66.41 67.24 3hkw h THR 344 Cb 0.11 0.93 -0.06 0.00 -1.74 0.00 0.00 68.15 67.40 3hkw h THR 344 CO -0.15 0.15 0.55 0.03 0.37 0.00 0.00 175.52 176.46 3hkw h ARG 345 N 0.30 0.76 0.00 6.66 3.08 -0.71 -0.51 114.38 123.96 3hkw h ARG 345 Ca 0.09 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.10 3hkw h ARG 345 Cb 0.12 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.00 3hkw h ARG 345 CO -0.01 0.51 0.00 0.66 -1.07 0.00 0.00 179.97 180.05 3hkw n TYR 346 N -4.52 0.00 -2.62 3.04 4.01 -0.49 -0.72 117.16 115.86 3hkw n TYR 346 Ca 0.15 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.81 3hkw n TYR 346 Cb 0.34 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.40 3hkw n TYR 346 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3hkw n SER 347 N -0.69 -5.21 -2.76 7.72 2.88 -0.20 -4.88 113.62 110.49 3hkw n SER 347 Ca 0.08 -0.37 -0.09 0.00 -1.33 0.00 0.00 58.87 57.16 3hkw n SER 347 Cb 0.04 -3.64 0.06 0.00 -0.75 0.00 0.00 64.21 59.92 3hkw n SER 347 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hkw n ALA 348 N -2.38 -0.99 -1.47 -1.46 0.00 0.62 -4.62 120.51 110.21 3hkw n ALA 348 Ca -0.04 -1.50 -0.30 0.00 0.00 0.00 0.00 53.44 51.60 3hkw n ALA 348 Cb 0.56 -1.24 0.10 0.00 0.00 0.00 0.00 19.45 18.87 3hkw n ALA 348 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hkw s PRO 349 N 0.41 1.90 0.42 0.00 0.04 -1.26 -3.96 135.00 132.54 3hkw s PRO 349 Ca 0.28 0.69 -0.08 0.00 0.04 0.00 0.00 61.00 61.92 3hkw s PRO 349 Cb 0.26 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.85 3hkw s PRO 349 CO -0.15 -1.76 0.75 -1.25 0.04 0.00 0.00 177.00 174.63 3hkw s PRO 350 N -5.10 3.69 0.00 0.56 0.04 -1.26 -1.70 135.00 131.22 3hkw s PRO 350 Ca 0.61 0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.99 3hkw s PRO 350 Cb -0.15 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 31.97 3hkw s PRO 350 CO 0.55 -0.06 0.02 0.41 0.04 0.00 0.00 177.00 177.95 3hkw n GLY 351 N -1.55 1.42 3.73 0.56 0.00 0.17 -4.41 105.19 105.11 3hkw n GLY 351 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3hkw n GLY 351 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hkw s ASP 352 N -1.09 7.32 0.37 1.61 1.01 -1.26 -4.97 116.67 119.65 3hkw s ASP 352 Ca 0.00 1.58 -0.28 0.00 0.71 0.00 0.00 52.55 54.56 3hkw s ASP 352 Cb 0.00 -2.52 -0.11 0.00 1.01 0.00 0.00 42.92 41.30 3hkw s ASP 352 CO 0.00 -0.07 1.46 -2.65 0.21 0.00 0.00 175.17 174.12 3hkw n PRO 353 N 3.06 2.58 -2.03 8.23 -0.02 -1.26 -4.54 135.00 141.02 3hkw n PRO 353 Ca 0.01 0.91 -0.38 0.00 -2.02 0.00 0.00 63.50 62.01 3hkw n PRO 353 Cb 0.50 -2.62 0.01 0.00 -0.02 0.00 0.00 33.50 31.37 3hkw n PRO 353 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3hkw s PRO 354 N -2.08 3.64 -0.07 0.52 0.04 -1.26 -5.03 135.00 130.76 3hkw s PRO 354 Ca 0.54 2.06 0.05 0.00 0.04 0.00 0.00 61.00 63.69 3hkw s PRO 354 Cb -0.49 -2.48 -0.01 0.00 0.04 0.00 0.00 34.50 31.56 3hkw s PRO 354 CO 0.63 -0.73 -0.24 -0.65 0.04 0.00 0.00 177.00 176.05 3hkw s GLN 355 N -2.60 2.66 0.23 4.56 -1.52 -1.26 -4.95 119.66 116.77 3hkw s GLN 355 Ca 0.64 -0.88 -0.30 0.00 -1.95 0.00 0.00 55.36 52.87 3hkw s GLN 355 Cb -0.36 -2.17 -0.09 0.00 -0.22 0.00 0.00 33.01 30.17 3hkw s GLN 355 CO 0.44 0.31 1.32 -2.14 -0.25 0.00 0.00 175.29 174.97 3hkw s PRO 356 N 0.00 4.37 -0.02 2.91 0.02 -1.26 -4.58 135.00 136.44 3hkw s PRO 356 Ca -0.08 2.11 0.07 0.00 0.02 0.00 0.00 61.00 63.12 3hkw s PRO 356 Cb -0.15 -3.17 -0.02 0.00 0.02 0.00 0.00 34.50 31.18 3hkw s PRO 356 CO 0.05 -0.26 -0.24 -1.21 -0.33 0.00 0.00 177.00 175.02 3hkw s GLU 357 N -0.40 2.15 -0.03 5.54 0.41 0.35 -4.96 118.70 121.76 3hkw s GLU 357 Ca 0.56 -0.90 0.09 0.00 -0.41 0.00 0.00 54.97 54.31 3hkw s GLU 357 Cb -0.38 -2.09 0.26 0.00 -1.78 0.00 0.00 34.13 30.14 3hkw s GLU 357 CO 0.41 0.57 1.21 0.66 -0.49 0.00 0.00 175.26 177.61 3hkw n TYR 358 N 2.36 0.39 -3.95 1.61 4.02 -1.26 -1.25 117.16 119.07 3hkw n TYR 358 Ca -0.16 -0.58 -0.17 0.00 -0.01 0.00 0.00 57.90 56.98 3hkw n TYR 358 Cb 0.51 -0.08 -0.16 0.00 -0.02 0.00 0.00 39.34 39.59 3hkw n TYR 358 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3hkw s ASP 359 N -1.23 0.44 0.28 7.72 1.01 -1.26 -4.98 116.67 118.66 3hkw s ASP 359 Ca 0.20 -0.03 -0.01 0.00 0.71 0.00 0.00 52.55 53.42 3hkw s ASP 359 Cb 0.13 -0.23 0.47 0.00 1.01 0.00 0.00 42.92 44.30 3hkw s ASP 359 CO 0.10 -0.09 1.89 0.25 0.21 0.00 0.00 175.17 177.53 3hkw h LEU 360 N 7.19 0.98 -2.86 1.23 5.85 -1.97 -2.10 115.31 123.63 3hkw h LEU 360 Ca -0.42 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 3hkw h LEU 360 Cb 1.14 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 3hkw h LEU 360 CO 0.48 0.61 -0.00 -0.33 -0.34 0.00 0.00 178.44 178.86 3hkw h GLU 361 N 1.10 0.00 -0.01 1.25 5.08 -1.97 -2.48 114.58 117.55 3hkw h GLU 361 Ca 0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 3hkw h GLU 361 Cb 0.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 3hkw h GLU 361 CO -0.17 0.00 -0.09 1.28 -1.00 0.00 0.00 179.01 179.02 3hkw n LEU 362 N -3.09 0.62 -4.70 1.33 4.32 -0.79 -4.56 117.00 110.14 3hkw n LEU 362 Ca -0.03 -0.09 -0.38 0.00 -0.02 0.00 0.00 56.01 55.49 3hkw n LEU 362 Cb 0.09 -0.13 -0.07 0.00 -1.62 0.00 0.00 43.42 41.69 3hkw n LEU 362 CO 0.21 0.11 0.09 -0.63 -1.22 0.00 0.00 177.39 175.95 3hkw s ILE 363 N -2.35 5.22 -0.17 -0.08 1.01 -0.93 -5.03 121.20 118.86 3hkw s ILE 363 Ca 0.32 0.74 -0.03 0.00 0.00 0.00 0.00 60.65 61.67 3hkw s ILE 363 Cb 0.20 -3.73 -0.02 0.00 0.01 0.00 0.00 42.46 38.92 3hkw s ILE 363 CO 0.45 0.30 -0.04 -0.89 0.00 0.00 0.00 174.94 174.75 3hkw s THR 364 N 0.96 3.68 -0.06 2.92 2.01 -1.26 -4.38 115.64 119.50 3hkw s THR 364 Ca 0.20 -0.42 -0.03 0.00 0.31 0.00 0.00 61.69 61.75 3hkw s THR 364 Cb -0.14 -2.62 0.04 0.00 0.01 0.00 0.00 72.50 69.78 3hkw s THR 364 CO 0.08 0.47 0.13 -0.55 -0.69 0.00 0.00 174.62 174.06 3hkw s SER 365 N 0.70 -0.09 -1.48 3.53 0.15 0.04 -4.73 113.70 111.82 3hkw s SER 365 Ca -0.02 0.27 -0.07 0.00 0.70 0.00 0.00 55.95 56.83 3hkw s SER 365 Cb -0.15 0.16 0.05 0.00 -1.71 0.00 0.00 66.02 64.38 3hkw s SER 365 CO 0.02 -0.14 0.63 0.00 1.20 0.00 0.00 173.24 174.95 3hkw n SER 367 N -2.89 0.00 -4.39 0.00 7.64 -1.26 -4.96 113.62 107.76 3hkw n SER 367 Ca -0.16 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.45 3hkw n SER 367 Cb 0.61 -1.09 -0.12 0.00 -1.01 0.00 0.00 64.21 62.60 3hkw n SER 367 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 3hkw s SER 368 N -2.61 3.24 0.11 6.43 0.01 -0.20 -4.46 113.70 116.22 3hkw s SER 368 Ca 0.00 -0.81 0.05 0.00 1.31 0.00 0.00 55.95 56.50 3hkw s SER 368 Cb 0.00 -0.22 -0.04 0.00 0.21 0.00 0.00 66.02 65.97 3hkw s SER 368 CO 0.00 0.12 -0.13 0.54 0.41 0.00 0.00 173.24 174.18 3hkw s ASN 369 N -2.39 1.84 0.21 2.44 4.22 -0.18 -0.78 114.94 120.31 3hkw s ASN 369 Ca 0.17 -0.80 -0.30 0.00 -2.14 0.00 0.00 52.86 49.79 3hkw s ASN 369 Cb -0.09 -0.05 -0.08 0.00 1.28 0.00 0.00 41.25 42.31 3hkw s ASN 369 CO 0.08 -0.17 1.10 -0.69 -2.04 0.00 0.00 177.10 175.38 3hkw s VAL 370 N -2.16 3.73 0.28 3.54 1.01 -1.26 -1.19 120.40 124.36 3hkw s VAL 370 Ca 0.07 1.56 0.03 0.00 0.00 0.00 0.00 61.98 63.65 3hkw s VAL 370 Cb -0.05 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.30 3hkw s VAL 370 CO 0.02 0.30 0.17 -0.55 0.00 0.00 0.00 175.10 175.04 3hkw s SER 371 N -0.33 1.25 -0.00 3.32 0.15 0.05 -4.35 113.70 113.78 3hkw s SER 371 Ca 0.48 -1.55 0.05 0.00 0.70 0.00 0.00 55.95 55.63 3hkw s SER 371 Cb -0.30 0.41 -0.01 0.00 -1.71 0.00 0.00 66.02 64.40 3hkw s SER 371 CO 0.37 -0.90 -0.15 -0.69 1.20 0.00 0.00 173.24 173.06 3hkw s VAL 372 N -3.70 1.20 0.00 4.45 1.01 -1.26 -1.53 120.40 120.57 3hkw s VAL 372 Ca 0.37 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.65 3hkw s VAL 372 Cb 0.05 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.42 3hkw s VAL 372 CO 0.18 0.30 0.00 0.00 0.00 0.00 0.00 175.10 175.58 3hkw n ALA 373 N 2.59 0.00 -2.68 5.51 0.00 -0.25 -3.46 120.51 122.22 3hkw n ALA 373 Ca -0.15 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.10 3hkw n ALA 373 Cb 0.55 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.86 3hkw n ALA 373 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3hkw s HIS 374 N -1.25 1.00 0.21 0.00 3.76 -0.01 -0.36 115.29 118.64 3hkw s HIS 374 Ca 0.00 -0.29 -0.04 0.00 -0.15 0.00 0.00 55.06 54.58 3hkw s HIS 374 Cb 0.00 -0.62 0.05 0.00 1.11 0.00 0.00 32.58 33.12 3hkw s HIS 374 CO 0.00 -0.00 0.28 -0.40 -0.85 0.00 0.00 174.74 173.77 3hkw n ASP 375 N 2.25 0.01 0.13 1.40 5.68 -0.37 -0.81 116.55 124.83 3hkw n ASP 375 Ca -0.17 -1.10 0.11 0.00 -0.50 0.00 0.00 54.79 53.14 3hkw n ASP 375 Cb 0.56 -0.22 0.49 0.00 -1.14 0.00 0.00 41.12 40.80 3hkw n ASP 375 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3hkw n GLY 376 N 3.13 -1.20 1.02 6.12 0.00 -1.26 -2.58 105.19 110.42 3hkw n GLY 376 Ca 0.04 0.09 0.10 0.00 0.00 0.00 0.00 46.02 46.24 3hkw n GLY 376 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hkw n ALA 377 N -1.76 2.36 -0.84 4.61 0.00 -1.26 -4.95 120.51 118.67 3hkw n ALA 377 Ca 0.02 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.38 3hkw n ALA 377 Cb 0.20 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 18.92 3hkw n ALA 377 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hkw n GLY 378 N 1.23 0.55 3.73 0.00 0.00 -1.06 -5.03 105.19 104.61 3hkw n GLY 378 Ca 0.18 -0.28 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 3hkw n GLY 378 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hkw s LYS 379 N -0.63 4.54 0.19 1.61 2.20 -1.26 -4.84 119.74 121.56 3hkw s LYS 379 Ca 0.00 1.17 -0.31 0.00 -0.36 0.00 0.00 55.97 56.47 3hkw s LYS 379 Cb 0.00 -3.38 -0.10 0.00 -1.51 0.00 0.00 37.83 32.84 3hkw s LYS 379 CO 0.00 0.21 1.46 1.03 -0.36 0.00 0.00 175.35 177.69 3hkw s ARG 380 N 0.15 4.27 -0.10 4.03 0.52 -1.26 -1.24 118.95 125.33 3hkw s ARG 380 Ca 0.42 2.25 0.02 0.00 -0.52 0.00 0.00 55.73 57.90 3hkw s ARG 380 Cb -0.21 -3.16 0.01 0.00 0.52 0.00 0.00 34.95 32.12 3hkw s ARG 380 CO 0.25 -0.46 -0.14 0.08 0.02 0.00 0.00 175.30 175.04 3hkw s VAL 381 N 0.55 1.37 0.18 3.52 1.01 0.51 -4.89 120.40 122.65 3hkw s VAL 381 Ca 0.63 -0.58 -0.14 0.00 0.00 0.00 0.00 61.98 61.90 3hkw s VAL 381 Cb -0.41 -1.26 -0.07 0.00 0.00 0.00 0.00 36.38 34.64 3hkw s VAL 381 CO 0.37 0.41 0.57 -0.31 0.00 0.00 0.00 175.10 176.14 3hkw s TYR 382 N 0.93 3.56 0.15 5.22 2.02 -1.26 -1.09 117.35 126.87 3hkw s TYR 382 Ca -0.09 1.05 -0.17 0.00 -0.37 0.00 0.00 57.07 57.49 3hkw s TYR 382 Cb -0.15 -2.37 0.04 0.00 -0.40 0.00 0.00 41.96 39.08 3hkw s TYR 382 CO -0.00 0.37 0.45 1.52 -1.57 0.00 0.00 175.55 176.33 3hkw s TYR 383 N -1.57 -0.22 -0.12 2.71 1.13 -0.58 -4.98 117.35 113.72 3hkw s TYR 383 Ca 0.41 -0.09 -0.12 0.00 -1.41 0.00 0.00 57.07 55.87 3hkw s TYR 383 Cb -0.14 0.33 -0.05 0.00 -1.10 0.00 0.00 41.96 41.00 3hkw s TYR 383 CO 0.20 -0.77 0.26 -0.51 -2.51 0.00 0.00 175.55 172.21 3hkw s LEU 384 N -2.81 4.34 0.36 -3.49 1.43 -1.26 -0.77 118.68 116.47 3hkw s LEU 384 Ca 0.04 0.57 0.06 0.00 -1.03 0.00 0.00 54.13 53.77 3hkw s LEU 384 Cb 0.01 -2.30 -0.03 0.00 0.03 0.00 0.00 46.19 43.90 3hkw s LEU 384 CO -0.10 0.25 0.22 0.28 0.23 0.00 0.00 176.35 177.23 3hkw s THR 385 N -0.35 0.22 0.21 5.49 -1.32 -0.33 -4.75 115.64 114.81 3hkw s THR 385 Ca 0.17 -2.00 -0.19 0.00 -1.21 0.00 0.00 61.69 58.46 3hkw s THR 385 Cb -0.13 -2.42 0.03 0.00 -1.51 0.00 0.00 72.50 68.46 3hkw s THR 385 CO 0.05 0.00 0.58 0.00 -2.21 0.00 0.00 174.62 173.05 3hkw s ARG 386 N -3.56 1.47 0.18 7.08 1.70 -1.26 -1.01 118.95 123.56 3hkw s ARG 386 Ca 0.33 -0.85 -0.32 0.00 -0.47 0.00 0.00 55.73 54.43 3hkw s ARG 386 Cb 0.02 0.55 -0.11 0.00 -0.57 0.00 0.00 34.95 34.84 3hkw s ARG 386 CO 0.22 -0.64 1.75 0.34 -1.08 0.00 0.00 175.30 175.89 3hkw s ASP 387 N -2.87 6.40 0.00 -2.89 -1.08 -1.26 -4.89 116.67 110.08 3hkw s ASP 387 Ca 0.09 2.83 0.26 0.00 -0.52 0.00 0.00 52.55 55.20 3hkw s ASP 387 Cb -0.02 -2.59 1.28 0.00 -1.46 0.00 0.00 42.92 40.12 3hkw s ASP 387 CO -0.01 -0.98 1.85 -0.81 0.52 0.00 0.00 175.17 175.74 3hkw n PRO 388 N 4.47 1.31 0.27 4.34 -0.04 -1.26 -4.38 135.00 139.71 3hkw n PRO 388 Ca 0.16 -0.46 -0.16 0.00 -0.04 0.00 0.00 63.50 63.00 3hkw n PRO 388 Cb 0.36 -1.43 -0.08 0.00 -0.04 0.00 0.00 33.50 32.31 3hkw n PRO 388 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3hkw h THR 389 N 1.04 0.22 -0.14 0.52 2.02 -1.95 0.15 112.91 114.76 3hkw h THR 389 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3hkw h THR 389 Cb 0.22 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 3hkw h THR 389 CO 0.00 0.00 0.06 0.74 0.37 0.00 0.00 175.52 176.69 3hkw h THR 390 N -0.83 1.14 -0.72 3.16 2.02 -1.94 -0.26 112.91 115.48 3hkw h THR 390 Ca -0.04 -0.43 0.16 0.00 0.77 0.00 0.00 66.41 66.87 3hkw h THR 390 Cb 0.72 1.17 -0.11 0.00 -1.74 0.00 0.00 68.15 68.18 3hkw h THR 390 CO -0.03 0.13 0.12 -0.65 0.37 0.00 0.00 175.52 175.47 3hkw h PRO 391 N 0.09 0.21 -0.39 6.66 0.11 -1.79 -0.80 132.00 136.09 3hkw h PRO 391 Ca 0.05 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 66.06 3hkw h PRO 391 Cb 0.16 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.21 3hkw h PRO 391 CO -0.00 0.14 -0.11 -0.07 -0.21 0.00 0.00 178.00 177.75 3hkw h LEU 392 N 0.22 0.76 -0.57 2.35 3.38 -0.66 -0.10 115.31 120.69 3hkw h LEU 392 Ca 0.40 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3hkw h LEU 392 Cb 0.69 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 3hkw h LEU 392 CO -0.54 0.96 0.37 0.00 0.09 0.00 0.00 178.44 179.32 3hkw h ALA 393 N 0.83 0.72 -0.45 1.53 0.00 -0.66 -1.13 119.26 120.10 3hkw h ALA 393 Ca 0.10 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.83 3hkw h ALA 393 Cb 0.63 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3hkw h ALA 393 CO 0.04 0.17 -0.23 0.00 0.00 0.00 0.00 179.25 179.23 3hkw h ARG 394 N 0.77 0.92 -0.99 0.00 3.08 -1.08 -2.25 114.38 114.83 3hkw h ARG 394 Ca 0.21 -0.39 0.02 0.00 0.07 0.00 0.00 59.98 59.88 3hkw h ARG 394 Cb -0.07 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 29.89 3hkw h ARG 394 CO -0.04 1.05 0.66 0.00 -1.07 0.00 0.00 179.97 180.56 3hkw h ALA 395 N 0.94 1.27 -0.31 0.04 0.00 -0.69 0.20 119.26 120.71 3hkw h ALA 395 Ca 0.10 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3hkw h ALA 395 Cb 0.79 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3hkw h ALA 395 CO 0.07 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.94 3hkw h ALA 396 N 1.37 0.42 -0.46 0.00 0.00 -0.96 -1.42 119.26 118.20 3hkw h ALA 396 Ca 0.37 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3hkw h ALA 396 Cb -0.12 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 3hkw h ALA 396 CO -0.09 0.17 0.27 2.35 0.00 0.00 0.00 179.25 181.95 3hkw h TRP 397 N 0.35 0.51 0.00 0.00 2.91 -1.01 -1.82 115.95 116.90 3hkw h TRP 397 Ca 0.09 0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.13 3hkw h TRP 397 Cb 0.43 -0.16 0.00 0.00 -0.51 0.00 0.00 29.16 28.92 3hkw h TRP 397 CO 0.04 0.29 0.00 0.93 -1.03 0.00 0.00 178.44 178.67 3hkw h GLU 398 N 0.55 0.00 0.14 2.65 5.08 -0.74 -0.15 114.58 122.11 3hkw h GLU 398 Ca 0.19 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.24 3hkw h GLU 398 Cb 0.02 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.30 3hkw h GLU 398 CO -0.09 0.00 -1.27 1.15 -1.00 0.00 0.00 179.01 177.80 3hkw h THR 399 N 0.00 1.29 0.00 1.13 2.02 -0.67 -3.36 112.91 113.31 3hkw h THR 399 Ca 0.00 -2.50 -0.13 0.00 0.77 0.00 0.00 66.41 64.54 3hkw h THR 399 Cb 0.42 2.74 -0.02 0.00 -1.74 0.00 0.00 68.15 69.55 3hkw h THR 399 CO 0.00 0.76 -0.64 0.00 0.37 0.00 0.00 175.52 176.01 3hkw h ALA 400 N 0.29 0.78 -3.55 6.16 0.00 -0.52 -3.44 119.26 118.98 3hkw h ALA 400 Ca -0.19 -0.58 -0.22 0.00 0.00 0.00 0.00 54.91 53.92 3hkw h ALA 400 Cb 1.95 -0.10 -0.26 0.00 0.00 0.00 0.00 17.79 19.37 3hkw h ALA 400 CO 0.24 0.79 -0.70 1.03 0.00 0.00 0.00 179.25 180.61 3hkw s ARG 401 N -3.30 0.08 -0.12 0.00 1.81 -0.15 -5.03 118.95 112.24 3hkw s ARG 401 Ca 0.00 -0.12 -0.29 0.00 -1.72 0.00 0.00 55.73 53.60 3hkw s ARG 401 Cb 0.11 0.03 -0.02 0.00 -0.45 0.00 0.00 34.95 34.61 3hkw s ARG 401 CO 0.75 -0.01 1.27 -1.58 -0.68 0.00 0.00 175.30 175.06 3hkw s HIS 402 N -0.30 2.89 0.10 -0.53 5.65 -1.26 -4.35 115.29 117.49 3hkw s HIS 402 Ca -0.03 1.01 0.10 0.00 0.25 0.00 0.00 55.06 56.39 3hkw s HIS 402 Cb -0.02 -3.51 -0.04 0.00 -1.18 0.00 0.00 32.58 27.83 3hkw s HIS 402 CO -0.00 -1.75 -0.26 0.95 -0.65 0.00 0.00 174.74 173.02 3hkw s THR 403 N 3.14 2.19 0.33 0.89 -4.23 -1.26 -5.04 115.64 111.65 3hkw s THR 403 Ca 0.56 -1.62 0.01 0.00 -1.18 0.00 0.00 61.69 59.46 3hkw s THR 403 Cb -0.23 -1.92 0.24 0.00 1.34 0.00 0.00 72.50 71.93 3hkw s THR 403 CO 0.18 0.18 1.97 1.55 -0.54 0.00 0.00 174.62 177.95 3hkw h PRO 404 N 4.21 0.88 -4.97 3.99 0.13 -1.96 -3.41 132.00 130.87 3hkw h PRO 404 Ca -0.49 -0.08 -0.50 0.00 -0.87 0.00 0.00 66.00 64.06 3hkw h PRO 404 Cb 1.16 -0.19 -0.31 0.00 0.13 0.00 0.00 31.00 31.79 3hkw h PRO 404 CO 0.41 0.62 -0.81 0.08 -0.23 0.00 0.00 178.00 178.06 3hkw s VAL 405 N -5.66 1.12 -0.42 1.56 1.01 -1.26 -4.53 120.40 112.22 3hkw s VAL 405 Ca -0.10 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.22 3hkw s VAL 405 Cb 0.17 -0.98 0.07 0.00 0.00 0.00 0.00 36.38 35.65 3hkw s VAL 405 CO 0.78 0.33 0.28 0.20 0.00 0.00 0.00 175.10 176.69 3hkw s ASN 406 N 0.10 5.74 0.46 3.32 0.01 0.14 -4.94 114.94 119.78 3hkw s ASN 406 Ca -0.03 -1.40 0.16 0.00 -0.71 0.00 0.00 52.86 50.88 3hkw s ASN 406 Cb -0.10 -2.03 1.06 0.00 0.41 0.00 0.00 41.25 40.59 3hkw s ASN 406 CO 0.01 -0.53 2.00 0.77 -1.51 0.00 0.00 177.10 177.84 3hkw h SER 407 N 8.47 0.00 -0.87 -1.22 4.64 -1.93 -2.85 113.55 119.80 3hkw h SER 407 Ca -0.24 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.10 3hkw h SER 407 Cb 1.09 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.14 3hkw h SER 407 CO 0.77 0.17 0.58 4.11 -0.87 0.00 0.00 176.83 181.59 3hkw h TRP 408 N 0.00 1.08 -0.21 4.77 5.08 -1.90 0.18 115.95 124.95 3hkw h TRP 408 Ca -0.00 0.03 -0.15 0.00 1.08 0.00 0.00 58.89 59.84 3hkw h TRP 408 Cb 0.32 -0.36 0.00 0.00 -3.00 0.00 0.00 29.16 26.12 3hkw h TRP 408 CO 0.00 0.66 -0.47 1.25 -1.28 0.00 0.00 178.44 178.61 3hkw h LEU 409 N 1.15 0.77 -1.00 0.11 5.85 -1.88 -1.10 115.31 119.21 3hkw h LEU 409 Ca 0.33 -0.56 0.03 0.00 0.84 0.00 0.00 57.88 58.52 3hkw h LEU 409 Cb -0.08 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 40.67 3hkw h LEU 409 CO -0.08 1.19 0.65 1.23 -0.34 0.00 0.00 178.44 181.09 3hkw h GLY 410 N 0.39 1.44 1.10 3.75 0.00 -1.44 -1.58 103.07 106.72 3hkw h GLY 410 Ca 0.00 -0.50 -0.13 0.00 0.00 0.00 0.00 47.33 46.70 3hkw h GLY 410 CO 0.10 0.45 -0.21 3.43 0.00 0.00 0.00 176.54 180.31 3hkw h ASN 411 N 1.28 1.00 -0.69 0.19 2.35 -0.45 0.11 115.58 119.38 3hkw h ASN 411 Ca 0.39 -0.40 -0.01 0.00 -0.55 0.00 0.00 56.30 55.73 3hkw h ASN 411 Cb -0.04 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.02 3hkw h ASN 411 CO -0.11 1.18 0.40 0.40 -1.65 0.00 0.00 177.43 177.64 3hkw h ILE 412 N 0.83 1.21 -0.13 2.81 2.04 -1.00 0.13 117.51 123.40 3hkw h ILE 412 Ca 0.11 -0.49 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 3hkw h ILE 412 Cb 0.79 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 3hkw h ILE 412 CO 0.07 0.22 0.03 0.40 0.00 0.00 0.00 178.15 178.86 3hkw h ILE 413 N 0.94 1.21 0.00 -0.67 2.04 -1.00 -0.33 117.51 119.70 3hkw h ILE 413 Ca 0.24 -0.64 -0.13 0.00 1.00 0.00 0.00 64.86 65.33 3hkw h ILE 413 Cb 0.00 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 3hkw h ILE 413 CO -0.04 0.19 -0.60 0.24 0.00 0.00 0.00 178.15 177.93 3hkw h MET 414 N -0.00 0.00 -0.02 2.37 2.86 -0.87 -3.32 114.93 115.94 3hkw h MET 414 Ca 0.04 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 3hkw h MET 414 Cb 0.27 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.93 3hkw h MET 414 CO 0.00 0.60 -0.18 1.19 1.06 0.00 0.00 176.91 179.59 3hkw n PHE 415 N -3.27 0.07 -0.33 -0.22 3.72 0.46 -4.85 117.46 113.04 3hkw n PHE 415 Ca 0.01 -1.19 0.19 0.00 -0.05 0.00 0.00 57.45 56.42 3hkw n PHE 415 Cb 0.77 -0.20 0.44 0.00 -0.94 0.00 0.00 39.48 39.55 3hkw n PHE 415 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hkw h ALA 416 N 0.45 2.01 0.00 4.37 0.00 -1.16 -0.65 119.26 124.28 3hkw h ALA 416 Ca 0.01 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3hkw h ALA 416 Cb 1.04 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3hkw h ALA 416 CO 0.02 -0.41 0.00 -2.30 0.00 0.00 0.00 179.25 176.56 3hkw n PRO 417 N -4.70 0.09 -2.32 0.00 -0.02 -1.26 -4.42 135.00 122.37 3hkw n PRO 417 Ca 0.25 0.25 -0.34 0.00 -2.02 0.00 0.00 63.50 61.64 3hkw n PRO 417 Cb 0.76 -1.65 -0.01 0.00 -0.02 0.00 0.00 33.50 32.58 3hkw n PRO 417 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3hkw s THR 418 N -3.11 3.59 0.36 3.45 -4.23 -0.25 -4.94 115.64 110.51 3hkw s THR 418 Ca 0.08 0.92 0.10 0.00 -1.18 0.00 0.00 61.69 61.61 3hkw s THR 418 Cb 0.11 -3.37 0.10 0.00 1.34 0.00 0.00 72.50 70.69 3hkw s THR 418 CO 0.39 -0.28 1.83 0.25 -0.54 0.00 0.00 174.62 176.27 3hkw h LEU 419 N 1.14 0.15 0.16 4.79 6.46 -1.89 -2.14 115.31 123.97 3hkw h LEU 419 Ca -0.49 -0.05 -0.30 0.00 -0.12 0.00 0.00 57.88 56.92 3hkw h LEU 419 Cb 1.23 -0.04 0.02 0.00 -0.73 0.00 0.00 40.66 41.14 3hkw h LEU 419 CO 0.58 0.44 -1.33 4.11 -0.62 0.00 0.00 178.44 181.63 3hkw h TRP 420 N 0.14 0.77 -0.64 1.25 5.08 -1.92 -1.15 115.95 119.47 3hkw h TRP 420 Ca 0.02 -0.54 -0.07 0.00 1.08 0.00 0.00 58.89 59.38 3hkw h TRP 420 Cb 0.59 -0.04 -0.03 0.00 -3.00 0.00 0.00 29.16 26.68 3hkw h TRP 420 CO 0.01 1.41 0.14 0.00 -1.28 0.00 0.00 178.44 178.72 3hkw h ALA 421 N 0.38 0.85 0.12 0.11 0.00 -1.77 -1.65 119.26 117.29 3hkw h ALA 421 Ca -0.19 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 3hkw h ALA 421 Cb 2.03 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.57 3hkw h ALA 421 CO 0.24 0.58 -0.06 0.00 0.00 0.00 0.00 179.25 180.01 3hkw h ARG 422 N 0.96 -0.15 0.06 0.00 3.08 -1.43 0.17 114.38 117.07 3hkw h ARG 422 Ca 0.20 0.01 -0.25 0.00 0.07 0.00 0.00 59.98 60.01 3hkw h ARG 422 Cb 0.39 0.04 0.01 0.00 0.08 0.00 0.00 29.97 30.48 3hkw h ARG 422 CO 0.01 0.33 -1.08 0.52 -1.07 0.00 0.00 179.97 178.67 3hkw h MET 423 N -0.78 0.37 0.00 0.04 2.86 -1.29 -3.34 114.93 112.78 3hkw h MET 423 Ca -0.02 -0.48 0.00 0.00 -2.06 0.00 0.00 59.70 57.15 3hkw h MET 423 Cb 0.55 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.37 3hkw h MET 423 CO 0.03 1.17 -0.75 -0.89 1.06 0.00 0.00 176.91 177.52 3hkw n ILE 424 N -3.67 1.26 -0.04 -1.22 5.41 -0.66 -4.21 119.36 116.22 3hkw n ILE 424 Ca -0.08 0.21 -0.10 0.00 1.00 0.00 0.00 62.75 63.78 3hkw n ILE 424 Cb 0.92 -2.14 -0.04 0.00 -0.71 0.00 0.00 39.64 37.67 3hkw n ILE 424 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3hkw h LEU 425 N -0.75 0.23 -0.36 1.39 3.38 -1.26 0.07 115.31 118.01 3hkw h LEU 425 Ca 0.00 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 3hkw h LEU 425 Cb 0.75 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 3hkw h LEU 425 CO 0.00 0.25 0.18 0.24 0.09 0.00 0.00 178.44 179.20 3hkw h MET 426 N 0.20 0.52 0.04 1.13 2.86 -1.09 -0.54 114.93 118.05 3hkw h MET 426 Ca 0.07 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3hkw h MET 426 Cb 0.07 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.64 3hkw h MET 426 CO -0.01 0.46 -0.02 1.15 1.06 0.00 0.00 176.91 179.55 3hkw h THR 427 N 0.45 1.05 0.10 2.22 2.02 -1.65 -1.45 112.91 115.65 3hkw h THR 427 Ca 0.13 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 67.03 3hkw h THR 427 Cb 0.11 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 3hkw h THR 427 CO -0.02 0.07 -0.05 -0.74 0.37 0.00 0.00 175.52 175.16 3hkw h HIS 428 N -0.17 -0.12 -0.10 3.16 6.17 -0.87 -2.18 115.15 121.03 3hkw h HIS 428 Ca -0.01 -0.00 -0.20 0.00 0.71 0.00 0.00 60.37 60.87 3hkw h HIS 428 Cb 0.15 0.04 0.00 0.00 2.52 0.00 0.00 27.41 30.12 3hkw h HIS 428 CO -0.04 -0.02 -0.76 0.74 0.71 0.00 0.00 177.93 178.57 3hkw h PHE 429 N -0.19 0.75 -0.83 5.26 0.04 -1.02 -0.24 116.94 120.71 3hkw h PHE 429 Ca -0.01 -0.33 -0.01 0.00 2.80 0.00 0.00 57.97 60.42 3hkw h PHE 429 Cb 0.15 -0.11 -0.04 0.00 2.20 0.00 0.00 35.95 38.15 3hkw h PHE 429 CO -0.05 1.12 0.49 0.74 -0.60 0.00 0.00 178.31 180.00 3hkw h PHE 430 N 0.37 1.10 0.19 -0.55 -1.00 -1.30 0.69 116.94 116.44 3hkw h PHE 430 Ca -0.04 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.74 3hkw h PHE 430 Cb 1.35 -0.36 -0.02 0.00 3.61 0.00 0.00 35.95 40.54 3hkw h PHE 430 CO 0.06 0.74 -0.19 0.77 -1.61 0.00 0.00 178.31 178.07 3hkw h SER 431 N 1.14 -0.52 -0.60 2.17 0.02 -1.02 -0.98 113.55 113.77 3hkw h SER 431 Ca 0.30 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.28 3hkw h SER 431 Cb -0.03 0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 3hkw h SER 431 CO -0.05 -0.29 0.33 0.58 -1.14 0.00 0.00 176.83 176.25 3hkw h VAL 432 N -0.42 1.20 -0.79 2.27 2.07 -0.67 0.33 116.25 120.23 3hkw h VAL 432 Ca 0.00 -0.50 -0.05 0.00 0.82 0.00 0.00 66.70 66.98 3hkw h VAL 432 Cb 0.40 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 3hkw h VAL 432 CO -0.05 0.21 0.31 -0.07 0.02 0.00 0.00 177.57 177.99 3hkw h LEU 433 N 0.81 1.10 -0.19 2.57 4.07 -0.79 -0.56 115.31 122.32 3hkw h LEU 433 Ca 0.21 -0.18 -0.01 0.00 0.08 0.00 0.00 57.88 57.99 3hkw h LEU 433 Cb 0.05 -0.29 -0.01 0.00 1.08 0.00 0.00 40.66 41.49 3hkw h LEU 433 CO -0.03 0.98 0.09 0.40 -1.08 0.00 0.00 178.44 178.80 3hkw h ILE 434 N 1.16 1.13 -0.88 1.22 2.04 -0.65 0.26 117.51 121.78 3hkw h ILE 434 Ca 0.26 -0.39 0.01 0.00 1.00 0.00 0.00 64.86 65.75 3hkw h ILE 434 Cb 0.23 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 37.30 3hkw h ILE 434 CO -0.02 0.13 0.59 0.00 0.00 0.00 0.00 178.15 178.85 3hkw h ALA 435 N 0.96 1.37 -0.32 1.87 0.00 -0.48 -2.40 119.26 120.27 3hkw h ALA 435 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hkw h ALA 435 Cb 0.12 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3hkw h ALA 435 CO -0.01 0.58 0.00 0.54 0.00 0.00 0.00 179.25 180.36 3hkw n ARG 436 N -4.40 2.19 -3.66 0.00 1.74 -0.26 -4.95 116.66 107.32 3hkw n ARG 436 Ca 0.10 -1.80 -0.22 0.00 -0.77 0.00 0.00 57.85 55.16 3hkw n ARG 436 Cb 0.03 -1.46 0.05 0.00 -1.02 0.00 0.00 32.46 30.06 3hkw n ARG 436 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3hkw n ASP 437 N 1.01 -2.19 -0.02 0.55 8.00 -0.75 -4.92 116.55 118.24 3hkw n ASP 437 Ca 0.18 -0.75 0.02 0.00 0.71 0.00 0.00 54.79 54.94 3hkw n ASP 437 Cb 0.49 -4.34 0.02 0.00 -0.02 0.00 0.00 41.12 37.27 3hkw n ASP 437 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hkw n GLN 438 N -4.35 2.52 -0.18 -1.24 6.02 0.83 -4.80 117.38 116.18 3hkw n GLN 438 Ca -0.23 -1.59 0.13 0.00 -0.01 0.00 0.00 57.00 55.29 3hkw n GLN 438 Cb 0.65 -1.04 0.46 0.00 1.02 0.00 0.00 30.24 31.33 3hkw n GLN 438 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3hkw h LEU 439 N 0.00 0.48 -0.52 1.08 3.38 -1.90 -2.03 115.31 115.80 3hkw h LEU 439 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 3hkw h LEU 439 Cb 0.62 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3hkw h LEU 439 CO 0.00 0.26 -0.17 -0.62 0.09 0.00 0.00 178.44 178.01 3hkw n GLU 440 N -4.50 0.98 -3.15 1.13 -0.58 -1.26 -4.30 120.64 108.97 3hkw n GLU 440 Ca 0.14 -0.52 -0.40 0.00 -0.42 0.00 0.00 57.16 55.96 3hkw n GLU 440 Cb 0.46 -1.49 -0.06 0.00 -0.57 0.00 0.00 31.44 29.78 3hkw n GLU 440 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 3hkw s GLN 441 N -2.38 4.27 0.50 3.49 2.00 -0.76 -4.97 119.66 121.79 3hkw s GLN 441 Ca 0.29 0.62 -0.22 0.00 -2.00 0.00 0.00 55.36 54.04 3hkw s GLN 441 Cb 0.20 -3.53 -0.06 0.00 0.80 0.00 0.00 33.01 30.41 3hkw s GLN 441 CO 0.47 -0.12 1.24 0.00 -0.50 0.00 0.00 175.29 176.38 3hkw s ALA 442 N 1.51 2.90 0.08 1.58 0.00 -1.26 -4.47 121.76 122.09 3hkw s ALA 442 Ca 0.29 1.09 0.06 0.00 0.00 0.00 0.00 51.96 53.40 3hkw s ALA 442 Cb -0.16 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.48 3hkw s ALA 442 CO 0.11 -0.95 -0.15 -0.51 0.00 0.00 0.00 175.76 174.27 3hkw s LEU 443 N -3.26 2.29 0.05 0.00 1.43 0.17 -4.87 118.68 114.50 3hkw s LEU 443 Ca 0.67 -0.64 -0.21 0.00 -1.03 0.00 0.00 54.13 52.92 3hkw s LEU 443 Cb -0.33 -0.58 -0.06 0.00 0.03 0.00 0.00 46.19 45.25 3hkw s LEU 443 CO 0.39 -0.06 0.64 -1.81 0.23 0.00 0.00 176.35 175.74 3hkw s ASP 444 N -1.82 7.09 0.32 2.29 1.01 -1.26 -0.75 116.67 123.56 3hkw s ASP 444 Ca 0.00 1.30 -0.04 0.00 0.71 0.00 0.00 52.55 54.52 3hkw s ASP 444 Cb -0.10 -2.40 0.00 0.00 1.01 0.00 0.00 42.92 41.44 3hkw s ASP 444 CO 0.03 0.16 0.46 0.00 0.21 0.00 0.00 175.17 176.03 3hkw s GLU 446 N -3.24 1.89 -0.15 0.00 2.02 -1.26 0.07 118.70 118.03 3hkw s GLU 446 Ca 0.30 -0.93 -0.01 0.00 0.02 0.00 0.00 54.97 54.34 3hkw s GLU 446 Cb -0.00 -1.89 0.04 0.00 0.10 0.00 0.00 34.13 32.38 3hkw s GLU 446 CO 0.18 0.51 -0.01 0.42 0.02 0.00 0.00 175.26 176.38 3hkw s ILE 447 N -0.65 0.70 -1.63 -1.63 -1.09 -0.39 -4.63 121.20 111.89 3hkw s ILE 447 Ca 0.10 -0.38 -0.14 0.00 -2.23 0.00 0.00 60.65 58.00 3hkw s ILE 447 Cb -0.09 -0.98 0.12 0.00 -1.58 0.00 0.00 42.46 39.92 3hkw s ILE 447 CO -0.00 0.07 0.70 -1.22 -1.23 0.00 0.00 174.94 173.26 3hkw n TYR 448 N 5.01 -1.75 0.00 3.97 4.01 -1.26 -2.61 117.16 124.54 3hkw n TYR 448 Ca -0.10 0.79 0.00 0.00 -0.16 0.00 0.00 57.90 58.43 3hkw n TYR 448 Cb 0.48 -3.18 0.00 0.00 -0.31 0.00 0.00 39.34 36.33 3hkw n TYR 448 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hkw n GLY 449 N -1.58 2.58 3.84 2.72 0.00 -1.26 -1.29 105.19 110.21 3hkw n GLY 449 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 3hkw n GLY 449 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hkw s ALA 450 N -2.35 3.48 -0.08 4.61 0.00 -1.07 -4.16 121.76 122.19 3hkw s ALA 450 Ca 0.00 -0.04 -0.19 0.00 0.00 0.00 0.00 51.96 51.73 3hkw s ALA 450 Cb 0.00 -2.64 -0.04 0.00 0.00 0.00 0.00 23.12 20.44 3hkw s ALA 450 CO 0.00 0.41 0.52 0.00 0.00 0.00 0.00 175.76 176.68 3hkw s TYR 452 N 0.33 1.72 -0.35 0.00 1.51 0.11 -0.36 117.35 120.30 3hkw s TYR 452 Ca 0.28 -0.39 -0.15 0.00 -1.01 0.00 0.00 57.07 55.80 3hkw s TYR 452 Cb -0.16 -0.99 -0.01 0.00 -0.11 0.00 0.00 41.96 40.69 3hkw s TYR 452 CO 0.13 0.12 0.34 0.45 -1.11 0.00 0.00 175.55 175.48 3hkw s SER 453 N -1.44 6.15 -0.03 2.29 0.15 -1.26 -1.01 113.70 118.55 3hkw s SER 453 Ca 0.06 -0.32 0.05 0.00 0.70 0.00 0.00 55.95 56.44 3hkw s SER 453 Cb -0.09 -2.19 -0.01 0.00 -1.71 0.00 0.00 66.02 62.02 3hkw s SER 453 CO 0.03 -0.34 -0.20 -0.63 1.20 0.00 0.00 173.24 173.30 3hkw s ILE 454 N 1.95 1.61 -0.22 6.45 -1.09 0.07 -4.86 121.20 125.11 3hkw s ILE 454 Ca 0.10 -0.84 -0.24 0.00 -2.23 0.00 0.00 60.65 57.45 3hkw s ILE 454 Cb -0.17 -1.35 -0.01 0.00 -1.58 0.00 0.00 42.46 39.34 3hkw s ILE 454 CO 0.11 0.46 0.78 -1.61 -1.23 0.00 0.00 174.94 173.45 3hkw s GLU 455 N -0.23 4.21 0.54 2.79 2.02 -1.26 -0.65 118.70 126.11 3hkw s GLU 455 Ca 0.02 0.87 0.23 0.00 0.02 0.00 0.00 54.97 56.11 3hkw s GLU 455 Cb -0.10 -3.62 1.40 0.00 0.10 0.00 0.00 34.13 31.91 3hkw s GLU 455 CO 0.01 -0.41 2.06 -1.35 0.02 0.00 0.00 175.26 175.59 3hkw h PRO 456 N 7.58 0.00 0.00 0.39 0.11 -1.81 0.11 132.00 138.38 3hkw h PRO 456 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3hkw h PRO 456 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3hkw h PRO 456 CO 0.84 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.91 3hkw n LEU 457 N -4.33 0.53 -0.54 2.35 4.77 -1.26 -1.59 117.00 116.93 3hkw n LEU 457 Ca 0.04 0.68 0.11 0.00 -0.03 0.00 0.00 56.01 56.82 3hkw n LEU 457 Cb 0.39 -0.67 0.41 0.00 -2.33 0.00 0.00 43.42 41.22 3hkw n LEU 457 CO 0.34 -0.70 0.80 0.47 -1.33 0.00 0.00 177.39 176.97 3hkw n ASP 458 N -2.15 1.65 -0.24 -1.43 8.00 0.37 -4.52 116.55 118.24 3hkw n ASP 458 Ca 0.01 -1.66 -0.04 0.00 0.71 0.00 0.00 54.79 53.81 3hkw n ASP 458 Cb 0.13 -0.08 0.07 0.00 -0.02 0.00 0.00 41.12 41.22 3hkw n ASP 458 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 3hkw h LEU 459 N 2.29 0.70 0.19 0.64 3.38 -1.40 -2.73 115.31 118.38 3hkw h LEU 459 Ca 0.00 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.97 3hkw h LEU 459 Cb 0.50 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3hkw h LEU 459 CO 0.00 0.49 -0.21 -0.65 0.09 0.00 0.00 178.44 178.16 3hkw h PRO 460 N 0.83 -0.43 -0.14 1.13 0.11 -1.83 0.17 132.00 131.85 3hkw h PRO 460 Ca 0.27 0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.36 3hkw h PRO 460 Cb -0.00 0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.19 3hkw h PRO 460 CO -0.10 -0.28 -0.14 -1.00 -0.21 0.00 0.00 178.00 176.27 3hkw h PRO 461 N -0.44 0.22 0.10 1.05 0.13 -1.90 -1.19 132.00 129.97 3hkw h PRO 461 Ca 0.01 -0.05 0.01 0.00 -0.87 0.00 0.00 66.00 65.09 3hkw h PRO 461 Cb 0.43 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 31.51 3hkw h PRO 461 CO -0.07 0.36 -0.12 0.82 -0.23 0.00 0.00 178.00 178.77 3hkw h ILE 462 N 0.21 0.73 -0.76 -3.56 2.04 -1.15 -1.63 117.51 113.39 3hkw h ILE 462 Ca 0.04 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.92 3hkw h ILE 462 Cb 0.37 0.73 -0.04 0.00 -0.74 0.00 0.00 36.82 37.15 3hkw h ILE 462 CO 0.02 0.00 0.49 0.40 0.00 0.00 0.00 178.15 179.07 3hkw h ILE 463 N -0.25 1.16 -0.68 -0.67 2.04 -0.28 -1.12 117.51 117.70 3hkw h ILE 463 Ca 0.01 -0.34 0.01 0.00 1.00 0.00 0.00 64.86 65.54 3hkw h ILE 463 Cb 0.25 0.08 -0.04 0.00 -0.74 0.00 0.00 36.82 36.37 3hkw h ILE 463 CO -0.04 0.18 0.44 -0.61 0.00 0.00 0.00 178.15 178.12 3hkw h GLN 464 N 0.99 0.87 -0.67 2.37 4.15 -0.99 0.23 115.11 122.06 3hkw h GLN 464 Ca 0.29 -0.05 -0.08 0.00 0.77 0.00 0.00 58.65 59.58 3hkw h GLN 464 Cb -0.06 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.41 3hkw h GLN 464 CO -0.08 0.58 0.12 0.00 -1.93 0.00 0.00 178.83 177.51 3hkw h ARG 465 N 0.90 1.10 0.00 1.69 2.47 -0.66 0.57 114.38 120.45 3hkw h ARG 465 Ca 0.25 -0.29 -0.23 0.00 -1.26 0.00 0.00 59.98 58.45 3hkw h ARG 465 Cb -0.08 -0.13 -0.04 0.00 -1.65 0.00 0.00 29.97 28.07 3hkw h ARG 465 CO -0.06 1.00 -1.21 -0.07 0.56 0.00 0.00 179.97 180.19 3hkw h LEU 466 N 1.03 0.00 0.00 3.04 4.07 -0.89 -3.41 115.31 119.15 3hkw h LEU 466 Ca 0.20 -0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.16 3hkw h LEU 466 Cb 0.43 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.17 3hkw h LEU 466 CO 0.01 1.00 -0.40 1.41 -1.08 0.00 0.00 178.44 179.38 3hkw n HIS 467 N -3.26 0.00 0.00 1.13 8.25 0.04 -1.25 115.22 120.13 3hkw n HIS 467 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.41 3hkw n HIS 467 Cb 0.97 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.08 3hkw n HIS 467 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hkw n GLY 468 N 1.19 1.21 0.34 -1.41 0.00 0.19 -4.56 105.19 102.15 3hkw n GLY 468 Ca 0.00 -1.73 0.17 0.00 0.00 0.00 0.00 46.02 44.45 3hkw n GLY 468 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hkw h LEU 469 N 0.00 0.00 -2.83 0.99 5.85 -1.88 -2.20 115.31 115.24 3hkw h LEU 469 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3hkw h LEU 469 Cb 0.00 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 3hkw h LEU 469 CO 0.00 0.00 -0.00 0.77 -0.34 0.00 0.00 178.44 178.87 3hkw h SER 470 N 0.00 0.00 -0.20 1.25 4.64 -1.96 -2.78 113.55 114.50 3hkw h SER 470 Ca 0.12 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.50 3hkw h SER 470 Cb 0.57 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 3hkw h SER 470 CO -0.00 0.00 0.25 0.00 -0.87 0.00 0.00 176.83 176.21 3hkw h ALA 471 N 2.00 1.79 -0.02 5.18 0.00 -1.63 -0.34 119.26 126.23 3hkw h ALA 471 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hkw h ALA 471 Cb 0.01 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3hkw h ALA 471 CO 0.00 -0.36 -0.00 1.19 0.00 0.00 0.00 179.25 180.08 3hkw n PHE 472 N -3.68 0.00 -0.49 0.00 3.72 -1.05 -4.35 117.46 111.61 3hkw n PHE 472 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 3hkw n PHE 472 Cb 0.38 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.92 3hkw n PHE 472 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3hkw n SER 473 N 0.63 0.81 -4.77 4.37 7.64 -0.17 -4.57 113.62 117.56 3hkw n SER 473 Ca 0.17 -1.30 -0.39 0.00 1.01 0.00 0.00 58.87 58.35 3hkw n SER 473 Cb 0.45 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.63 3hkw n SER 473 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hkw s LEU 474 N -0.30 4.29 0.00 -3.43 1.43 -0.98 -4.16 118.68 115.52 3hkw s LEU 474 Ca 0.00 2.50 -0.05 0.00 -1.03 0.00 0.00 54.13 55.56 3hkw s LEU 474 Cb 0.00 -3.87 0.02 0.00 0.03 0.00 0.00 46.19 42.37 3hkw s LEU 474 CO 0.00 -0.64 0.44 0.00 0.23 0.00 0.00 176.35 176.37 3hkw n HIS 475 N 0.36 -1.47 -3.62 0.29 1.44 0.01 -4.95 115.22 107.27 3hkw n HIS 475 Ca 0.03 -1.61 -0.27 0.00 -2.01 0.00 0.00 57.72 53.85 3hkw n HIS 475 Cb 0.44 0.50 0.04 0.00 0.12 0.00 0.00 29.99 31.10 3hkw n HIS 475 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 3hkw n SER 476 N -1.63 -4.82 -4.69 4.39 2.88 -1.26 -0.83 113.62 107.65 3hkw n SER 476 Ca -0.02 -0.94 -0.29 0.00 -1.33 0.00 0.00 58.87 56.29 3hkw n SER 476 Cb 0.44 -3.78 0.15 0.00 -0.75 0.00 0.00 64.21 60.27 3hkw n SER 476 CO 0.00 0.00 0.00 -0.31 -1.23 0.00 0.00 175.04 173.50 3hkw s TYR 477 N -3.50 2.19 0.38 0.66 1.51 -1.26 -3.95 117.35 113.37 3hkw s TYR 477 Ca 0.39 1.21 -0.26 0.00 -1.01 0.00 0.00 57.07 57.40 3hkw s TYR 477 Cb -0.12 -3.19 -0.09 0.00 -0.11 0.00 0.00 41.96 38.45 3hkw s TYR 477 CO 0.83 -2.61 1.12 -1.54 -1.11 0.00 0.00 175.55 172.24 3hkw s SER 478 N -3.36 6.74 0.28 2.29 1.04 -1.22 -4.89 113.70 114.58 3hkw s SER 478 Ca 0.64 2.23 0.01 0.00 0.48 0.00 0.00 55.95 59.31 3hkw s SER 478 Cb -0.19 -2.61 0.56 0.00 0.10 0.00 0.00 66.02 63.89 3hkw s SER 478 CO 0.58 -0.51 1.80 -0.65 0.98 0.00 0.00 173.24 175.44 3hkw h PRO 479 N 2.81 0.82 -0.61 4.02 0.11 -1.95 -0.65 132.00 136.55 3hkw h PRO 479 Ca -0.48 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.51 3hkw h PRO 479 Cb 1.22 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 3hkw h PRO 479 CO 0.63 0.54 0.12 0.78 -0.21 0.00 0.00 178.00 179.87 3hkw h GLY 480 N 0.84 1.05 0.82 -0.55 0.00 -1.99 0.47 103.07 103.72 3hkw h GLY 480 Ca 0.49 -0.65 -0.06 0.00 0.00 0.00 0.00 47.33 47.11 3hkw h GLY 480 CO -0.31 0.61 -0.09 -2.09 0.00 0.00 0.00 176.54 174.66 3hkw h GLU 481 N 0.92 0.44 -0.48 4.80 4.57 -1.72 -1.42 114.58 121.70 3hkw h GLU 481 Ca 0.19 -0.19 0.02 0.00 -1.18 0.00 0.00 59.36 58.20 3hkw h GLU 481 Cb 0.37 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.92 3hkw h GLU 481 CO 0.01 0.72 0.30 0.82 -1.18 0.00 0.00 179.01 179.67 3hkw h ILE 482 N 0.15 1.08 -0.86 2.32 2.04 -0.87 -1.21 117.51 120.15 3hkw h ILE 482 Ca 0.05 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 3hkw h ILE 482 Cb 0.58 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 3hkw h ILE 482 CO 0.03 0.11 0.51 0.78 0.00 0.00 0.00 178.15 179.58 3hkw h ASN 483 N 0.60 1.04 -0.23 1.72 -0.26 -0.85 0.18 115.58 117.79 3hkw h ASN 483 Ca 0.19 -0.07 -0.04 0.00 -0.56 0.00 0.00 56.30 55.82 3hkw h ASN 483 Cb -0.02 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 36.97 3hkw h ASN 483 CO -0.07 0.81 -0.03 -0.09 -1.06 0.00 0.00 177.43 176.99 3hkw h ARG 484 N 1.19 0.42 0.12 0.81 2.43 -0.60 -1.13 114.38 117.62 3hkw h ARG 484 Ca 0.31 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 3hkw h ARG 484 Cb -0.03 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.49 3hkw h ARG 484 CO -0.06 0.63 -0.06 0.28 -1.51 0.00 0.00 179.97 179.26 3hkw h VAL 485 N 0.17 0.91 -0.58 0.20 2.07 -1.01 -2.17 116.25 115.84 3hkw h VAL 485 Ca 0.06 -0.10 0.08 0.00 0.82 0.00 0.00 66.70 67.56 3hkw h VAL 485 Cb 0.46 0.98 -0.06 0.00 -1.52 0.00 0.00 31.29 31.14 3hkw h VAL 485 CO 0.02 0.02 0.24 0.00 0.02 0.00 0.00 177.57 177.87 3hkw h ALA 486 N 0.68 0.75 -0.43 1.67 0.00 -0.86 -0.85 119.26 120.23 3hkw h ALA 486 Ca -0.02 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3hkw h ALA 486 Cb 0.16 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3hkw h ALA 486 CO 0.03 -0.15 -0.04 0.00 0.00 0.00 0.00 179.25 179.09 3hkw h ALA 487 N 1.38 1.13 -0.49 0.00 0.00 -1.15 -2.17 119.26 117.95 3hkw h ALA 487 Ca 0.28 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3hkw h ALA 487 Cb 0.30 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 3hkw h ALA 487 CO -0.26 0.55 0.28 0.00 0.00 0.00 0.00 179.25 179.83 3hkw h LEU 489 N 0.65 0.86 -0.55 0.00 3.38 -0.77 -1.23 115.31 117.65 3hkw h LEU 489 Ca 0.17 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3hkw h LEU 489 Cb 0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3hkw h LEU 489 CO -0.03 0.76 0.25 0.03 0.09 0.00 0.00 178.44 179.54 3hkw h ARG 490 N 0.90 0.81 -0.49 1.13 3.08 -1.27 -0.75 114.38 117.80 3hkw h ARG 490 Ca 0.22 -0.13 0.03 0.00 0.07 0.00 0.00 59.98 60.17 3hkw h ARG 490 Cb 0.14 -0.14 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 3hkw h ARG 490 CO -0.03 0.68 0.27 -0.22 -1.07 0.00 0.00 179.97 179.61 3hkw h LYS 491 N 0.75 0.52 -0.01 0.04 3.64 -0.79 -3.15 116.57 117.57 3hkw h LYS 491 Ca 0.19 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 3hkw h LYS 491 Cb 0.16 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 3hkw h LYS 491 CO -0.02 0.34 -0.37 1.28 -2.27 0.00 0.00 179.45 178.41 3hkw n LEU 492 N -4.85 1.12 -1.98 5.20 4.77 -0.51 -4.92 117.00 115.83 3hkw n LEU 492 Ca 0.03 -0.32 -0.11 0.00 -0.03 0.00 0.00 56.01 55.58 3hkw n LEU 492 Cb 0.10 -0.11 0.04 0.00 -2.33 0.00 0.00 43.42 41.11 3hkw n LEU 492 CO 0.31 0.22 0.12 0.61 -1.33 0.00 0.00 177.39 177.31 3hkw n GLY 493 N 1.39 0.24 3.78 -0.72 0.00 -0.46 -1.92 105.19 107.49 3hkw n GLY 493 Ca 0.10 -0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 3hkw n GLY 493 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hkw s VAL 494 N -3.15 5.28 0.61 1.61 1.01 -0.41 -0.84 120.40 124.51 3hkw s VAL 494 Ca 0.28 0.55 -0.18 0.00 0.00 0.00 0.00 61.98 62.63 3hkw s VAL 494 Cb -0.12 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 3hkw s VAL 494 CO 0.35 0.47 0.84 -2.65 0.00 0.00 0.00 175.10 174.12 3hkw n PRO 495 N 2.91 0.74 -1.00 2.72 -0.02 -1.26 -4.57 135.00 134.51 3hkw n PRO 495 Ca -0.14 0.29 -0.31 0.00 -2.02 0.00 0.00 63.50 61.32 3hkw n PRO 495 Cb 0.52 -2.05 0.13 0.00 -0.02 0.00 0.00 33.50 32.08 3hkw n PRO 495 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3hkw s PRO 496 N -2.66 1.66 0.33 0.52 0.04 -1.26 -4.79 135.00 128.84 3hkw s PRO 496 Ca 0.74 1.33 0.03 0.00 0.04 0.00 0.00 61.00 63.14 3hkw s PRO 496 Cb -0.41 -1.82 0.63 0.00 0.04 0.00 0.00 34.50 32.94 3hkw s PRO 496 CO 0.49 -2.11 1.93 -0.07 0.04 0.00 0.00 177.00 177.28 3hkw h LEU 497 N -1.48 0.79 -1.51 -3.56 3.38 -1.99 -0.55 115.31 110.40 3hkw h LEU 497 Ca -0.44 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.49 3hkw h LEU 497 Cb 1.25 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 3hkw h LEU 497 CO 0.47 0.51 -0.25 0.03 0.09 0.00 0.00 178.44 179.28 3hkw h ARG 498 N 0.90 0.00 -0.41 1.13 3.08 -1.99 -0.50 114.38 116.59 3hkw h ARG 498 Ca 0.36 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.27 3hkw h ARG 498 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 3hkw h ARG 498 CO -0.13 0.25 -0.28 0.00 -1.07 0.00 0.00 179.97 178.74 3hkw h ALA 499 N 1.75 0.58 -0.59 0.04 0.00 -1.46 -2.49 119.26 117.10 3hkw h ALA 499 Ca -0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.46 3hkw h ALA 499 Cb 0.51 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3hkw h ALA 499 CO 0.03 0.61 0.21 -1.49 0.00 0.00 0.00 179.25 178.61 3hkw h TRP 500 N 0.73 0.88 -0.51 0.00 4.06 -0.94 -1.66 115.95 118.51 3hkw h TRP 500 Ca 0.08 -0.06 -0.03 0.00 2.06 0.00 0.00 58.89 60.94 3hkw h TRP 500 Cb 0.86 -0.27 -0.02 0.00 -1.00 0.00 0.00 29.16 28.73 3hkw h TRP 500 CO 0.06 0.70 0.21 -0.09 -3.56 0.00 0.00 178.44 175.76 3hkw h ARG 501 N 0.85 0.75 -0.49 0.49 2.43 -1.01 0.36 114.38 117.76 3hkw h ARG 501 Ca 0.20 -0.13 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3hkw h ARG 501 Cb 0.21 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 3hkw h ARG 501 CO -0.01 0.65 0.32 1.25 -1.51 0.00 0.00 179.97 180.67 3hkw h HIS 502 N 0.68 0.62 -0.60 2.20 2.76 -1.12 -2.03 115.15 117.66 3hkw h HIS 502 Ca 0.17 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.30 3hkw h HIS 502 Cb 0.18 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 28.90 3hkw h HIS 502 CO 0.00 0.40 0.17 -0.09 -1.30 0.00 0.00 177.93 177.11 3hkw h ARG 503 N 0.66 0.93 -0.31 5.26 9.65 -0.87 -2.71 114.38 126.99 3hkw h ARG 503 Ca 0.18 -0.21 0.03 0.00 -1.10 0.00 0.00 59.98 58.88 3hkw h ARG 503 Cb -0.06 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.37 3hkw h ARG 503 CO -0.04 0.84 0.21 0.00 2.80 0.00 0.00 179.97 183.79 3hkw h ALA 504 N 1.05 1.92 -0.66 2.80 0.00 0.14 -1.23 119.26 123.28 3hkw h ALA 504 Ca 0.19 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3hkw h ALA 504 Cb 0.31 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3hkw h ALA 504 CO -0.00 0.03 0.32 0.00 0.00 0.00 0.00 179.25 179.60 3hkw h ARG 505 N 0.30 0.94 -0.14 0.00 3.08 -1.04 0.82 114.38 118.34 3hkw h ARG 505 Ca 0.13 -0.12 -0.22 0.00 0.07 0.00 0.00 59.98 59.83 3hkw h ARG 505 Cb 0.15 -0.18 0.01 0.00 0.08 0.00 0.00 29.97 30.03 3hkw h ARG 505 CO -0.03 0.73 -0.77 0.77 -1.07 0.00 0.00 179.97 179.60 3hkw h SER 506 N 0.94 0.92 -0.43 7.04 0.02 -1.30 -2.53 113.55 118.21 3hkw h SER 506 Ca 0.23 -0.64 -0.02 0.00 -0.84 0.00 0.00 61.79 60.52 3hkw h SER 506 Cb 0.10 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 3hkw h SER 506 CO -0.03 1.41 0.18 0.58 -1.14 0.00 0.00 176.83 177.83 3hkw h VAL 507 N 0.50 1.20 -0.24 2.27 2.07 -1.08 -2.30 116.25 118.67 3hkw h VAL 507 Ca -0.06 -0.61 0.03 0.00 0.82 0.00 0.00 66.70 66.88 3hkw h VAL 507 Cb 1.41 0.79 -0.03 0.00 -1.52 0.00 0.00 31.29 31.94 3hkw h VAL 507 CO 0.16 0.22 0.07 -0.09 0.02 0.00 0.00 177.57 177.96 3hkw h ARG 508 N 0.55 0.18 -0.78 1.57 2.43 -0.86 -0.66 114.38 116.82 3hkw h ARG 508 Ca 0.14 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.27 3hkw h ARG 508 Cb 0.18 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.66 3hkw h ARG 508 CO -0.01 0.12 0.33 0.00 -1.51 0.00 0.00 179.97 178.90 3hkw h ALA 509 N 1.15 1.12 -0.47 2.80 0.00 -1.34 -0.13 119.26 122.40 3hkw h ALA 509 Ca 0.11 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3hkw h ALA 509 Cb 0.08 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3hkw h ALA 509 CO -0.12 0.64 0.20 0.87 0.00 0.00 0.00 179.25 180.84 3hkw h LYS 510 N 1.12 0.70 -0.26 0.00 1.57 -0.96 -1.69 116.57 117.04 3hkw h LYS 510 Ca 0.26 -0.12 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 3hkw h LYS 510 Cb 0.17 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 3hkw h LYS 510 CO -0.03 0.62 0.07 -0.07 -0.57 0.00 0.00 179.45 179.48 3hkw h LEU 511 N 0.62 0.38 -1.38 2.94 3.38 -0.77 -2.98 115.31 117.51 3hkw h LEU 511 Ca 0.16 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 57.98 3hkw h LEU 511 Cb 0.18 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 3hkw h LEU 511 CO -0.01 0.50 0.47 -0.07 0.09 0.00 0.00 178.44 179.42 3hkw h LEU 512 N 0.25 0.67 -1.63 1.67 3.38 -0.90 -2.19 115.31 116.57 3hkw h LEU 512 Ca 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 3hkw h LEU 512 Cb 0.25 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.86 3hkw h LEU 512 CO -0.00 0.43 -0.14 0.77 0.09 0.00 0.00 178.44 179.60 3hkw h SER 513 N 0.76 0.00 1.57 -0.43 4.64 -1.16 -2.94 113.55 116.00 3hkw h SER 513 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 3hkw h SER 513 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3hkw h SER 513 CO -0.10 0.14 -0.04 0.03 -0.87 0.00 0.00 176.83 175.98 3hkw h ARG 514 N 0.00 0.00 0.00 4.77 3.08 -1.33 -3.50 114.38 117.40 3hkw h ARG 514 Ca -0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.10 3hkw h ARG 514 Cb 0.49 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.53 3hkw h ARG 514 CO 0.02 0.00 -0.07 0.41 -1.07 0.00 0.00 179.97 179.26 3hkw n GLY 515 N 1.26 -1.63 7.00 0.04 0.00 -1.11 -4.81 105.19 105.94 3hkw n GLY 515 Ca 0.05 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.84 3hkw n GLY 515 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hkw n GLY 516 N -0.70 2.62 0.29 -0.02 0.00 -1.26 -1.18 105.19 104.94 3hkw n GLY 516 Ca 0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 46.02 45.64 3hkw n GLY 516 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3hkw h ARG 517 N 0.00 0.87 -0.43 1.61 3.08 -1.92 -2.57 114.38 115.03 3hkw h ARG 517 Ca 0.00 -0.26 0.07 0.00 0.07 0.00 0.00 59.98 59.86 3hkw h ARG 517 Cb 0.00 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 29.90 3hkw h ARG 517 CO 0.00 0.89 0.05 0.00 -1.07 0.00 0.00 179.97 179.84 3hkw h ALA 518 N 1.16 0.44 -0.42 0.04 0.00 -1.81 0.67 119.26 119.35 3hkw h ALA 518 Ca 0.15 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 3hkw h ALA 518 Cb 0.53 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 3hkw h ALA 518 CO 0.03 -0.35 0.07 0.00 0.00 0.00 0.00 179.25 179.01 3hkw h ALA 519 N 1.34 1.35 -0.75 0.00 0.00 -0.83 -0.52 119.26 119.85 3hkw h ALA 519 Ca 0.21 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3hkw h ALA 519 Cb 0.28 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3hkw h ALA 519 CO -0.30 0.46 0.24 0.82 0.00 0.00 0.00 179.25 180.47 3hkw h ILE 520 N 0.61 1.26 -0.40 0.00 2.04 -0.96 -0.00 117.51 120.07 3hkw h ILE 520 Ca 0.14 -0.91 0.02 0.00 1.00 0.00 0.00 64.86 65.10 3hkw h ILE 520 Cb 0.28 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.76 3hkw h ILE 520 CO 0.00 0.36 0.24 0.00 0.00 0.00 0.00 178.15 178.75 3hkw h GLY 522 N 0.48 0.25 0.81 0.00 0.00 -0.73 -0.58 103.07 103.30 3hkw h GLY 522 Ca 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.39 3hkw h GLY 522 CO -0.07 0.08 -0.13 1.70 0.00 0.00 0.00 176.54 178.13 3hkw h LYS 523 N 0.23 -0.35 0.13 4.80 3.64 -0.88 -3.05 116.57 121.09 3hkw h LYS 523 Ca 0.07 0.02 -0.28 0.00 -1.27 0.00 0.00 60.65 59.19 3hkw h LYS 523 Cb -0.02 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 3hkw h LYS 523 CO -0.02 -0.10 -1.40 1.88 -2.27 0.00 0.00 179.45 177.54 3hkw h TYR 524 N -0.55 0.50 0.00 1.91 -1.99 -1.19 -3.12 116.97 112.53 3hkw h TYR 524 Ca -0.04 -0.37 -0.06 0.00 2.00 0.00 0.00 58.73 60.26 3hkw h TYR 524 Cb 0.41 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.11 3hkw h TYR 524 CO -0.01 1.55 -0.30 -0.07 -0.00 0.00 0.00 178.16 179.33 3hkw h LEU 525 N -0.25 0.00 -2.90 3.88 3.38 -1.26 -3.32 115.31 114.84 3hkw h LEU 525 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3hkw h LEU 525 Cb 1.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.55 3hkw h LEU 525 CO 0.09 0.30 -0.03 0.49 0.09 0.00 0.00 178.44 179.38 3hkw n PHE 526 N -3.42 0.00 0.26 1.13 3.72 -1.15 -4.66 117.46 113.33 3hkw n PHE 526 Ca 0.00 -0.82 0.09 0.00 -0.05 0.00 0.00 57.45 56.67 3hkw n PHE 526 Cb 0.49 -0.12 0.67 0.00 -0.94 0.00 0.00 39.48 39.58 3hkw n PHE 526 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 3hkw h ASN 527 N 0.00 0.00 0.03 4.37 -1.24 -1.65 -1.55 115.58 115.55 3hkw h ASN 527 Ca 0.00 0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 3hkw h ASN 527 Cb 0.92 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.97 3hkw h ASN 527 CO 0.00 0.00 -0.01 4.11 -1.29 0.00 0.00 177.43 180.24 3hkw h TRP 528 N 0.00 0.00 -0.00 0.67 5.08 -1.83 -2.91 115.95 116.96 3hkw h TRP 528 Ca 0.01 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.98 3hkw h TRP 528 Cb 0.03 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.19 3hkw h TRP 528 CO 0.00 0.01 -0.15 0.00 -1.28 0.00 0.00 178.44 177.02 3hkw n ALA 529 N -2.28 2.81 -2.43 0.11 0.00 -0.58 -4.84 120.51 113.30 3hkw n ALA 529 Ca -0.03 -0.26 -0.27 0.00 0.00 0.00 0.00 53.44 52.88 3hkw n ALA 529 Cb 0.09 -1.32 -0.14 0.00 0.00 0.00 0.00 19.45 18.08 3hkw n ALA 529 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 3hkw s VAL 530 N -2.62 1.90 0.11 0.00 -7.23 -1.10 -4.78 120.40 106.69 3hkw s VAL 530 Ca 0.24 -1.36 -0.08 0.00 -1.81 0.00 0.00 61.98 58.97 3hkw s VAL 530 Cb 0.20 -1.65 -0.18 0.00 0.56 0.00 0.00 36.38 35.30 3hkw s VAL 530 CO 0.51 0.23 1.29 -0.09 -0.31 0.00 0.00 175.10 176.73 3hkw h ARG 531 N 4.66 0.56 -4.87 4.82 2.43 -1.88 -3.40 114.38 116.70 3hkw h ARG 531 Ca -0.45 -0.56 -0.69 0.00 -0.81 0.00 0.00 59.98 57.47 3hkw h ARG 531 Cb 1.16 0.15 -0.19 0.00 -0.42 0.00 0.00 29.97 30.67 3hkw h ARG 531 CO 0.43 1.18 0.45 0.99 -1.51 0.00 0.00 179.97 181.51 3hkw s THR 532 N -3.40 4.77 0.23 0.20 2.01 -1.26 -5.02 115.64 113.17 3hkw s THR 532 Ca -0.08 -1.22 -0.13 0.00 0.31 0.00 0.00 61.69 60.58 3hkw s THR 532 Cb 0.08 -4.63 -0.08 0.00 0.01 0.00 0.00 72.50 67.89 3hkw s THR 532 CO 0.89 -1.32 0.60 -0.54 -0.69 0.00 0.00 174.62 173.56 3hkw s LYS 533 N 2.71 3.92 0.42 4.92 1.02 -1.26 -5.07 119.74 126.40 3hkw s LYS 533 Ca 0.22 0.45 -0.15 0.00 0.02 0.00 0.00 55.97 56.51 3hkw s LYS 533 Cb -0.15 -2.68 -0.08 0.00 -0.52 0.00 0.00 37.83 34.40 3hkw s LYS 533 CO 0.00 0.32 0.85 -0.51 -0.92 0.00 0.00 175.35 175.10 3hkw s LEU 534 N -2.60 3.83 -0.15 3.17 1.43 -1.26 -5.04 118.68 118.07 3hkw s LEU 534 Ca 0.46 1.37 -0.27 0.00 -1.03 0.00 0.00 54.13 54.66 3hkw s LEU 534 Cb -0.12 -4.25 -0.01 0.00 0.03 0.00 0.00 46.19 41.84 3hkw s LEU 534 CO 0.20 -0.41 0.91 -0.54 0.23 0.00 0.00 176.35 176.74 3hkw s LYS 535 N -3.65 4.35 -0.51 1.70 1.02 -1.26 -4.99 119.74 116.40 3hkw s LYS 535 Ca 0.56 1.18 -0.12 0.00 0.02 0.00 0.00 55.97 57.61 3hkw s LYS 535 Cb -0.10 -3.56 0.13 0.00 -0.52 0.00 0.00 37.83 33.77 3hkw s LYS 535 CO 0.26 -0.33 0.42 -0.51 -0.92 0.00 0.00 175.35 174.27 3hkw s LEU 536 N 2.13 5.94 0.37 3.17 1.43 -1.26 -5.06 118.68 125.40 3hkw s LEU 536 Ca 0.43 -1.87 -0.00 0.00 -1.03 0.00 0.00 54.13 51.65 3hkw s LEU 536 Cb -0.17 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 43.91 3hkw s LEU 536 CO 0.14 -0.77 0.58 0.42 0.23 0.00 0.00 176.35 176.95 3hkw s THR 537 N 1.46 5.08 0.20 5.49 -4.23 -1.26 -5.03 115.64 117.34 3hkw s THR 537 Ca 0.05 -0.37 -0.32 0.00 -1.18 0.00 0.00 61.69 59.87 3hkw s THR 537 Cb -0.28 -3.86 -0.15 0.00 1.34 0.00 0.00 72.50 69.55 3hkw s THR 537 CO 0.01 -0.60 1.19 -2.65 -0.54 0.00 0.00 174.62 172.03 3hkw n PRO 538 N -1.85 1.34 -2.75 3.99 -0.02 -1.26 -4.90 135.00 129.55 3hkw n PRO 538 Ca -0.04 0.47 -0.42 0.00 -2.02 0.00 0.00 63.50 61.49 3hkw n PRO 538 Cb 0.56 -1.99 -0.03 0.00 -0.02 0.00 0.00 33.50 32.03 3hkw n PRO 538 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3hkw s ILE 539 N -0.26 4.76 0.25 4.25 1.01 -1.26 -4.94 121.20 125.01 3hkw s ILE 539 Ca 0.71 1.86 -0.03 0.00 0.00 0.00 0.00 60.65 63.19 3hkw s ILE 539 Cb -0.80 -4.24 0.22 0.00 0.01 0.00 0.00 42.46 37.65 3hkw s ILE 539 CO 0.53 -0.10 1.80 0.00 0.00 0.00 0.00 174.94 177.16 3hkw h ALA 540 N 7.45 1.22 -0.09 9.38 0.00 -2.03 -1.15 119.26 134.04 3hkw h ALA 540 Ca -0.23 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.75 3hkw h ALA 540 Cb 1.09 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 3hkw h ALA 540 CO 0.92 0.07 0.09 0.00 0.00 0.00 0.00 179.25 180.32 3hkw h ALA 541 N 1.48 1.75 -0.29 0.00 0.00 -2.00 -2.89 119.26 117.32 3hkw h ALA 541 Ca 0.42 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.36 3hkw h ALA 541 Cb 0.43 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3hkw h ALA 541 CO -0.27 -0.13 0.09 0.00 0.00 0.00 0.00 179.25 178.93 3hkw h ALA 542 N 1.91 0.32 -0.18 0.00 0.00 -1.49 -1.92 119.26 117.90 3hkw h ALA 542 Ca 0.04 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3hkw h ALA 542 Cb 0.21 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3hkw h ALA 542 CO -0.00 -0.32 0.12 0.78 0.00 0.00 0.00 179.25 179.83 3hkw h GLY 543 N 0.21 0.10 1.50 0.00 0.00 -1.65 -2.82 103.07 100.40 3hkw h GLY 543 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.43 3hkw h GLY 543 CO -0.15 0.03 -0.45 1.46 0.00 0.00 0.00 176.54 177.43 3hkw h GLN 544 N 0.08 0.00 -6.55 4.80 1.08 -1.48 -3.47 115.11 109.58 3hkw h GLN 544 Ca 0.08 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.75 3hkw h GLN 544 Cb 0.22 0.00 0.04 0.00 -0.05 0.00 0.00 27.48 27.69 3hkw h GLN 544 CO -0.01 0.00 1.01 -0.51 -0.95 0.00 0.00 178.83 178.37 3hkw s LEU 545 N -5.23 4.38 -0.66 1.46 1.43 -1.00 -4.94 118.68 114.11 3hkw s LEU 545 Ca 0.05 2.68 -0.24 0.00 -1.03 0.00 0.00 54.13 55.60 3hkw s LEU 545 Cb 0.09 -3.58 0.06 0.00 0.03 0.00 0.00 46.19 42.80 3hkw s LEU 545 CO 0.71 -0.93 1.02 -0.62 0.23 0.00 0.00 176.35 176.76 3hkw s ASP 546 N 1.94 6.19 -0.23 2.29 -1.08 -1.26 -4.84 116.67 119.67 3hkw s ASP 546 Ca 0.75 -0.83 0.14 0.00 -0.52 0.00 0.00 52.55 52.10 3hkw s ASP 546 Cb -0.45 -2.45 0.61 0.00 -1.46 0.00 0.00 42.92 39.17 3hkw s ASP 546 CO 0.33 -1.50 1.54 0.18 0.52 0.00 0.00 175.17 176.24 3hkw n LEU 547 N 8.00 4.56 -4.77 -1.34 4.77 -1.26 -5.01 117.00 121.95 3hkw n LEU 547 Ca -0.02 -3.14 -0.41 0.00 -0.03 0.00 0.00 56.01 52.41 3hkw n LEU 547 Cb 0.46 -0.61 -0.01 0.00 -2.33 0.00 0.00 43.42 40.93 3hkw n LEU 547 CO 0.65 0.77 1.16 -0.94 -1.33 0.00 0.00 177.39 177.70 3hkw s SER 548 N -1.71 6.37 0.00 -1.43 1.04 -1.26 -1.85 113.70 114.87 3hkw s SER 548 Ca 0.47 3.00 0.00 0.00 0.48 0.00 0.00 55.95 59.90 3hkw s SER 548 Cb 0.38 -2.66 0.00 0.00 0.10 0.00 0.00 66.02 63.84 3hkw s SER 548 CO 0.09 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 174.06 3hkw n GLY 549 N 0.97 2.02 0.28 7.32 0.00 -1.26 -4.88 105.19 109.64 3hkw n GLY 549 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 3hkw n GLY 549 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 3hkw h TRP 550 N 0.00 1.02 -2.13 1.61 4.06 -1.77 -3.36 115.95 115.38 3hkw h TRP 550 Ca 0.00 -0.21 -0.54 0.00 2.06 0.00 0.00 58.89 60.20 3hkw h TRP 550 Cb 0.00 -0.25 -0.41 0.00 -1.00 0.00 0.00 29.16 27.50 3hkw h TRP 550 CO 0.00 0.98 -0.93 1.19 -3.56 0.00 0.00 178.44 176.12 3hkw n PHE 551 N -4.14 1.90 -0.07 0.49 3.72 -1.26 -4.79 117.46 113.32 3hkw n PHE 551 Ca 0.01 -3.89 -0.14 0.00 -0.05 0.00 0.00 57.45 53.38 3hkw n PHE 551 Cb 0.41 -0.45 -0.05 0.00 -0.94 0.00 0.00 39.48 38.45 3hkw n PHE 551 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 3hkw n THR 552 N 0.18 0.79 -3.89 4.37 -1.04 -1.20 -4.21 114.28 109.29 3hkw n THR 552 Ca 0.27 -0.17 -0.09 0.00 -2.04 0.00 0.00 64.05 62.02 3hkw n THR 552 Cb 0.53 -1.70 -0.05 0.00 -1.82 0.00 0.00 70.33 67.28 3hkw n THR 552 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3hkw s ALA 553 N -2.26 -0.40 0.17 2.41 0.00 -1.25 -4.25 121.76 116.18 3hkw s ALA 553 Ca -0.19 -0.64 -0.11 0.00 0.00 0.00 0.00 51.96 51.02 3hkw s ALA 553 Cb 0.07 0.91 -0.07 0.00 0.00 0.00 0.00 23.12 24.03 3hkw s ALA 553 CO 0.24 -0.76 0.52 0.20 0.00 0.00 0.00 175.76 175.97 3hkw s GLY 554 N -2.95 2.36 -0.00 0.00 0.00 -1.26 -4.92 107.32 100.55 3hkw s GLY 554 Ca 0.16 -0.24 0.00 0.00 0.00 0.00 0.00 44.72 44.64 3hkw s GLY 554 CO 0.01 -0.03 0.86 -1.72 0.00 0.00 0.00 173.10 172.22 3hkw n TYR 555 N 0.40 0.00 -1.71 1.90 4.01 -0.41 -4.58 117.16 116.77 3hkw n TYR 555 Ca -0.03 -0.03 -0.43 0.00 -0.16 0.00 0.00 57.90 57.25 3hkw n TYR 555 Cb 0.52 -0.04 -0.03 0.00 -0.31 0.00 0.00 39.34 39.48 3hkw n TYR 555 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3hkw n SER 556 N -0.04 3.63 0.00 7.72 2.88 -1.25 -0.55 113.62 126.01 3hkw n SER 556 Ca 0.00 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 3hkw n SER 556 Cb 0.64 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 3hkw n SER 556 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3hkw n GLY 557 N 3.21 2.32 1.00 0.46 0.00 -1.26 -4.22 105.19 106.70 3hkw n GLY 557 Ca 0.14 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.26 3hkw n GLY 557 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hkw n GLY 558 N -2.00 1.47 3.34 -0.02 0.00 0.28 -3.10 105.19 105.17 3hkw n GLY 558 Ca 0.00 -0.62 -0.18 0.00 0.00 0.00 0.00 46.02 45.22 3hkw n GLY 558 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hkw n ASP 559 N 1.13 -3.54 -4.49 1.61 2.03 -1.26 -4.51 116.55 107.52 3hkw n ASP 559 Ca 0.19 -0.55 -0.33 0.00 0.52 0.00 0.00 54.79 54.61 3hkw n ASP 559 Cb 0.49 -4.79 -0.13 0.00 -0.72 0.00 0.00 41.12 35.97 3hkw n ASP 559 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3hkw s ILE 560 N -3.32 3.43 -0.11 5.18 -1.09 -1.26 -4.30 121.20 119.73 3hkw s ILE 560 Ca 0.20 -0.56 0.03 0.00 -2.23 0.00 0.00 60.65 58.09 3hkw s ILE 560 Cb -0.09 -2.42 0.01 0.00 -1.58 0.00 0.00 42.46 38.38 3hkw s ILE 560 CO 0.68 0.56 -0.20 -0.47 -1.23 0.00 0.00 174.94 174.28 3hkw s TYR 561 N -0.26 2.28 0.06 3.97 5.04 0.86 -0.58 117.35 128.73 3hkw s TYR 561 Ca 0.03 -1.03 0.05 0.00 -2.44 0.00 0.00 57.07 53.68 3hkw s TYR 561 Cb -0.13 -1.58 -0.04 0.00 0.35 0.00 0.00 41.96 40.57 3hkw s TYR 561 CO 0.03 -0.47 -0.08 -1.01 -1.34 0.00 0.00 175.55 172.68 3hkw s HIS 562 N 0.68 2.81 0.00 4.97 3.76 0.51 -4.47 115.29 123.55 3hkw s HIS 562 Ca -0.12 -0.10 0.00 0.00 -0.15 0.00 0.00 55.06 54.69 3hkw s HIS 562 Cb -0.16 -1.52 0.00 0.00 1.11 0.00 0.00 32.58 32.01 3hkw s HIS 562 CO 0.03 0.40 0.00 -1.13 -0.85 0.00 0.00 174.74 173.18