#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hww h VAL 3 N 0.00 1.05 -0.92 2.46 2.07 -1.94 -3.03 116.25 115.93 3hww h VAL 3 Ca 0.00 -0.15 0.18 0.00 0.82 0.00 0.00 66.70 67.54 3hww h VAL 3 Cb 0.00 1.12 -0.10 0.00 -1.52 0.00 0.00 31.29 30.79 3hww h VAL 3 CO 0.00 0.04 0.51 -1.28 0.02 0.00 0.00 177.57 176.86 3hww h SER 4 N -0.03 0.62 -0.01 0.57 0.87 -1.91 0.09 113.55 113.74 3hww h SER 4 Ca 0.01 0.10 -0.21 0.00 -1.23 0.00 0.00 61.79 60.46 3hww h SER 4 Cb 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 3hww h SER 4 CO -0.00 0.22 -0.74 0.00 -0.53 0.00 0.00 176.83 175.78 3hww h ALA 5 N 1.62 0.44 -0.34 6.23 0.00 -1.79 -2.56 119.26 122.85 3hww h ALA 5 Ca 0.53 -0.59 -0.15 0.00 0.00 0.00 0.00 54.91 54.70 3hww h ALA 5 Cb 0.82 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 3hww h ALA 5 CO -0.39 0.71 -0.37 0.35 0.00 0.00 0.00 179.25 179.55 3hww h PHE 6 N 0.46 1.03 -0.93 0.00 3.57 -1.42 -3.03 116.94 116.63 3hww h PHE 6 Ca -0.04 -0.32 0.12 0.00 3.53 0.00 0.00 57.97 61.27 3hww h PHE 6 Cb 1.34 -0.21 -0.09 0.00 2.79 0.00 0.00 35.95 39.78 3hww h PHE 6 CO 0.07 1.12 0.55 -0.91 -2.23 0.00 0.00 178.31 176.91 3hww h ASN 7 N 0.65 0.78 -0.91 0.41 2.35 -0.92 -0.86 115.58 117.08 3hww h ASN 7 Ca 0.05 0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3hww h ASN 7 Cb 0.96 -0.09 -0.04 0.00 0.05 0.00 0.00 38.32 39.20 3hww h ASN 7 CO 0.09 0.40 0.58 0.03 -1.65 0.00 0.00 177.43 176.87 3hww h ARG 8 N 0.85 1.22 -0.01 0.81 3.08 -1.42 -2.14 114.38 116.77 3hww h ARG 8 Ca 0.47 -0.09 -0.23 0.00 0.07 0.00 0.00 59.98 60.20 3hww h ARG 8 Cb 0.52 -0.27 0.02 0.00 0.08 0.00 0.00 29.97 30.32 3hww h ARG 8 CO -0.29 0.83 -0.88 0.00 -1.07 0.00 0.00 179.97 178.56 3hww h ARG 9 N 1.25 0.62 0.11 0.04 3.08 -1.17 0.22 114.38 118.52 3hww h ARG 9 Ca 0.33 -0.65 0.02 0.00 0.07 0.00 0.00 59.98 59.75 3hww h ARG 9 Cb -0.10 0.18 -0.05 0.00 0.08 0.00 0.00 29.97 30.08 3hww h ARG 9 CO -0.07 1.25 -0.49 2.35 -1.07 0.00 0.00 179.97 181.94 3hww h TRP 10 N 0.25 -1.41 -0.66 3.04 2.91 -1.21 0.80 115.95 119.67 3hww h TRP 10 Ca -0.11 0.04 0.14 0.00 1.13 0.00 0.00 58.89 60.09 3hww h TRP 10 Cb 1.55 0.60 -0.12 0.00 -0.51 0.00 0.00 29.16 30.68 3hww h TRP 10 CO 0.12 -0.57 -0.03 0.00 -1.03 0.00 0.00 178.44 176.92 3hww h ALA 11 N -0.39 0.62 -0.47 2.65 0.00 -1.39 -1.34 119.26 118.95 3hww h ALA 11 Ca 0.01 0.22 0.10 0.00 0.00 0.00 0.00 54.91 55.23 3hww h ALA 11 Cb 0.73 0.39 -0.10 0.00 0.00 0.00 0.00 17.79 18.82 3hww h ALA 11 CO -0.28 -0.41 -0.21 0.00 0.00 0.00 0.00 179.25 178.35 3hww h ALA 12 N 1.62 0.14 -0.56 0.00 0.00 0.29 -1.44 119.26 119.31 3hww h ALA 12 Ca 0.35 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.41 3hww h ALA 12 Cb 0.57 0.52 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 3hww h ALA 12 CO -0.60 -0.55 0.32 0.28 0.00 0.00 0.00 179.25 178.70 3hww h VAL 13 N -0.11 1.18 -0.45 0.00 2.07 0.01 -2.00 116.25 116.95 3hww h VAL 13 Ca 0.22 -0.43 0.08 0.00 0.82 0.00 0.00 66.70 67.39 3hww h VAL 13 Cb 0.45 0.44 -0.07 0.00 -1.52 0.00 0.00 31.29 30.60 3hww h VAL 13 CO -0.54 0.19 0.06 0.40 0.02 0.00 0.00 177.57 177.70 3hww h ILE 14 N 0.76 0.72 -0.33 4.57 2.04 -0.63 -1.07 117.51 123.56 3hww h ILE 14 Ca 0.20 -0.06 -0.15 0.00 1.00 0.00 0.00 64.86 65.84 3hww h ILE 14 Cb 0.02 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 3hww h ILE 14 CO -0.03 0.03 -0.41 -0.07 0.00 0.00 0.00 178.15 177.67 3hww h LEU 15 N 0.18 0.86 -0.56 1.44 3.38 -1.04 -2.81 115.31 116.77 3hww h LEU 15 Ca 0.22 -0.40 -0.15 0.00 0.09 0.00 0.00 57.88 57.65 3hww h LEU 15 Cb 0.30 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3hww h LEU 15 CO -0.32 1.16 -0.47 -0.08 0.09 0.00 0.00 178.44 178.82 3hww h GLU 16 N 0.66 0.62 -0.82 1.13 4.57 -1.22 -2.60 114.58 116.92 3hww h GLU 16 Ca 0.05 -0.35 0.13 0.00 -1.18 0.00 0.00 59.36 58.01 3hww h GLU 16 Cb 0.97 0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 29.50 3hww h GLU 16 CO 0.09 0.96 0.42 0.00 -1.18 0.00 0.00 179.01 179.30 3hww h ALA 17 N 0.98 1.21 -0.15 2.92 0.00 -0.95 -2.17 119.26 121.10 3hww h ALA 17 Ca 0.03 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 3hww h ALA 17 Cb 1.00 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 3hww h ALA 17 CO 0.09 -0.06 -0.43 -0.07 0.00 0.00 0.00 179.25 178.78 3hww h LEU 18 N 0.63 0.37 -1.69 0.00 3.38 -1.25 -2.68 115.31 114.08 3hww h LEU 18 Ca 0.43 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.26 3hww h LEU 18 Cb 0.57 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 3hww h LEU 18 CO -0.33 0.76 0.25 0.71 0.09 0.00 0.00 178.44 179.92 3hww h THR 19 N 0.29 1.04 0.00 0.22 1.35 -1.23 -1.82 112.91 112.75 3hww h THR 19 Ca 0.02 -0.14 0.00 0.00 -0.55 0.00 0.00 66.41 65.74 3hww h THR 19 Cb 0.88 0.59 0.00 0.00 -1.73 0.00 0.00 68.15 67.88 3hww h THR 19 CO 0.07 0.08 0.00 0.54 -0.25 0.00 0.00 175.52 175.96 3hww n ARG 20 N -4.48 0.31 -0.27 4.72 5.12 -1.01 -2.58 116.66 118.46 3hww n ARG 20 Ca 0.04 0.05 0.08 0.00 -1.93 0.00 0.00 57.85 56.09 3hww n ARG 20 Cb 0.14 -1.50 0.18 0.00 -1.16 0.00 0.00 32.46 30.12 3hww n ARG 20 CO 0.00 0.00 0.00 0.72 -1.93 0.00 0.00 177.63 176.42 3hww n HIS 21 N -1.08 0.31 -0.87 -1.55 8.25 -0.69 -4.35 115.22 115.25 3hww n HIS 21 Ca 0.08 -1.07 0.00 0.00 -0.26 0.00 0.00 57.72 56.47 3hww n HIS 21 Cb 0.05 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 30.94 3hww n HIS 21 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hww n GLY 22 N -1.15 0.87 3.61 -1.41 0.00 -1.06 -4.68 105.19 101.37 3hww n GLY 22 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 3hww n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3hww s VAL 23 N -3.45 3.30 -0.13 1.61 1.01 -1.17 -4.53 120.40 117.04 3hww s VAL 23 Ca 0.00 0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.31 3hww s VAL 23 Cb 0.00 -3.36 -0.09 0.00 0.00 0.00 0.00 36.38 32.93 3hww s VAL 23 CO 0.00 -0.21 -0.10 -1.14 0.00 0.00 0.00 175.10 173.65 3hww n ARG 24 N 8.37 0.53 -3.54 2.72 3.00 -1.26 -4.46 116.66 122.02 3hww n ARG 24 Ca 0.25 0.07 -0.37 0.00 -0.00 0.00 0.00 57.85 57.80 3hww n ARG 24 Cb 0.45 -1.26 -0.06 0.00 0.00 0.00 0.00 32.46 31.60 3hww n ARG 24 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 3hww s HIS 25 N -2.26 3.67 -0.05 -0.14 3.76 -1.26 -0.68 115.29 118.34 3hww s HIS 25 Ca -0.16 0.91 0.00 0.00 -0.15 0.00 0.00 55.06 55.66 3hww s HIS 25 Cb 0.04 -2.23 0.02 0.00 1.11 0.00 0.00 32.58 31.52 3hww s HIS 25 CO 0.31 0.60 -0.03 -1.50 -0.85 0.00 0.00 174.74 173.27 3hww s ILE 26 N -1.20 0.42 -0.12 0.60 2.07 0.18 -2.05 121.20 121.10 3hww s ILE 26 Ca 0.27 -0.03 -0.00 0.00 -1.41 0.00 0.00 60.65 59.48 3hww s ILE 26 Cb -0.15 -0.48 -0.02 0.00 0.13 0.00 0.00 42.46 41.93 3hww s ILE 26 CO 0.15 0.21 -0.12 0.00 -1.91 0.00 0.00 174.94 173.27 3hww s ILE 28 N 0.19 0.66 -0.27 0.00 1.01 0.11 -1.32 121.20 121.57 3hww s ILE 28 Ca -0.07 -0.23 -0.09 0.00 0.00 0.00 0.00 60.65 60.27 3hww s ILE 28 Cb -0.15 -0.64 -0.03 0.00 0.01 0.00 0.00 42.46 41.65 3hww s ILE 28 CO 0.05 0.24 0.12 0.00 0.00 0.00 0.00 174.94 175.35 3hww s ALA 29 N 0.66 3.28 0.12 9.38 0.00 -1.12 -2.35 121.76 131.73 3hww s ALA 29 Ca -0.10 -1.19 -0.33 0.00 0.00 0.00 0.00 51.96 50.34 3hww s ALA 29 Cb -0.13 -2.25 -0.18 0.00 0.00 0.00 0.00 23.12 20.56 3hww s ALA 29 CO 0.01 -0.61 0.75 -2.30 0.00 0.00 0.00 175.76 173.61 3hww n PRO 30 N 4.97 0.04 -3.65 0.00 -0.01 -1.26 -4.60 135.00 130.49 3hww n PRO 30 Ca -0.15 0.01 -0.03 0.00 -0.01 0.00 0.00 63.50 63.32 3hww n PRO 30 Cb 0.51 -1.22 -0.07 0.00 -0.01 0.00 0.00 33.50 32.71 3hww n PRO 30 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 175.50 175.69 3hww s GLY 31 N -0.58 0.30 0.08 -1.23 0.00 -1.26 -4.92 107.32 99.70 3hww s GLY 31 Ca 0.75 3.42 -0.29 0.00 0.00 0.00 0.00 44.72 48.60 3hww s GLY 31 CO 0.56 2.01 1.67 0.23 0.00 0.00 0.00 173.10 177.58 3hww h SER 32 N 3.54 -0.46 0.39 1.64 0.87 -2.00 -2.92 113.55 114.61 3hww h SER 32 Ca -0.27 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 3hww h SER 32 Cb 1.19 0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 3hww h SER 32 CO 0.17 -0.33 0.00 -1.14 -0.53 0.00 0.00 176.83 175.01 3hww n ARG 33 N -5.32 0.11 -0.23 2.24 3.00 -1.26 -2.58 116.66 112.62 3hww n ARG 33 Ca -0.11 0.20 0.12 0.00 -0.00 0.00 0.00 57.85 58.05 3hww n ARG 33 Cb 0.23 -1.50 0.24 0.00 0.00 0.00 0.00 32.46 31.43 3hww n ARG 33 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 3hww n SER 34 N -1.39 3.55 -0.27 6.15 3.41 -1.10 -4.69 113.62 119.28 3hww n SER 34 Ca 0.05 -1.99 0.16 0.00 -0.26 0.00 0.00 58.87 56.84 3hww n SER 34 Cb 0.15 -0.30 0.44 0.00 -0.26 0.00 0.00 64.21 64.23 3hww n SER 34 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hww h THR 35 N 4.32 0.73 -0.20 6.66 1.03 -1.53 -1.98 112.91 121.93 3hww h THR 35 Ca 0.00 -0.19 -0.06 0.00 -0.01 0.00 0.00 66.41 66.15 3hww h THR 35 Cb 0.97 0.14 -0.00 0.00 -1.07 0.00 0.00 68.15 68.18 3hww h THR 35 CO 0.00 0.10 -0.12 -0.07 -0.01 0.00 0.00 175.52 175.42 3hww h LEU 36 N 0.55 0.46 -0.53 0.00 3.38 -1.87 0.58 115.31 117.89 3hww h LEU 36 Ca 0.48 -0.43 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 3hww h LEU 36 Cb 0.98 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 3hww h LEU 36 CO -0.22 0.79 0.13 -0.07 0.09 0.00 0.00 178.44 179.16 3hww h LEU 37 N 0.13 0.80 -0.23 1.67 3.38 -1.76 0.97 115.31 120.26 3hww h LEU 37 Ca 0.04 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.81 3hww h LEU 37 Cb 0.63 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 3hww h LEU 37 CO 0.03 0.82 0.03 0.74 0.09 0.00 0.00 178.44 180.15 3hww h THR 38 N 0.74 0.87 -0.44 0.22 2.02 -1.26 0.21 112.91 115.27 3hww h THR 38 Ca 0.17 -0.04 -0.08 0.00 0.77 0.00 0.00 66.41 67.23 3hww h THR 38 Cb 0.33 0.75 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 3hww h THR 38 CO 0.00 0.02 -0.04 -0.07 0.37 0.00 0.00 175.52 175.80 3hww h LEU 39 N 0.11 0.80 -0.32 2.58 3.38 0.32 -1.58 115.31 120.60 3hww h LEU 39 Ca 0.11 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3hww h LEU 39 Cb 0.12 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3hww h LEU 39 CO -0.16 0.94 0.21 0.00 0.09 0.00 0.00 178.44 179.52 3hww h ALA 40 N 0.89 0.41 -0.94 1.53 0.00 -0.59 -2.16 119.26 118.40 3hww h ALA 40 Ca 0.12 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.09 3hww h ALA 40 Cb 0.55 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 3hww h ALA 40 CO 0.03 -0.13 0.61 0.00 0.00 0.00 0.00 179.25 179.76 3hww h ALA 41 N 1.12 1.51 -0.05 0.00 0.00 -0.38 -2.05 119.26 119.41 3hww h ALA 41 Ca 0.12 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3hww h ALA 41 Cb -0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3hww h ALA 41 CO -0.03 0.33 -0.36 0.00 0.00 0.00 0.00 179.25 179.19 3hww h ALA 42 N 1.51 1.30 0.00 0.00 0.00 -0.66 -3.09 119.26 118.31 3hww h ALA 42 Ca 0.42 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3hww h ALA 42 Cb 0.26 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3hww h ALA 42 CO -0.17 0.50 -0.56 0.39 0.00 0.00 0.00 179.25 179.41 3hww n GLU 43 N -4.09 0.18 -3.34 0.00 1.02 -0.80 -4.73 120.64 108.89 3hww n GLU 43 Ca -0.02 0.05 -0.39 0.00 -0.02 0.00 0.00 57.16 56.78 3hww n GLU 43 Cb 0.42 -1.61 -0.09 0.00 -0.02 0.00 0.00 31.44 30.14 3hww n GLU 43 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 3hww s ASN 44 N -3.74 6.31 0.16 1.62 3.84 -1.05 -4.95 114.94 117.14 3hww s ASN 44 Ca 0.08 0.35 0.23 0.00 0.21 0.00 0.00 52.86 53.74 3hww s ASN 44 Cb 0.15 -2.23 0.90 0.00 -0.55 0.00 0.00 41.25 39.52 3hww s ASN 44 CO 0.71 -0.22 1.71 -1.20 -2.79 0.00 0.00 177.10 175.30 3hww n SER 45 N 5.40 0.49 0.32 -4.21 7.64 -1.26 -3.40 113.62 118.60 3hww n SER 45 Ca -0.07 0.59 0.21 0.00 1.01 0.00 0.00 58.87 60.61 3hww n SER 45 Cb 0.50 -0.70 1.07 0.00 -1.01 0.00 0.00 64.21 64.07 3hww n SER 45 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hww h ALA 46 N 2.47 1.00 -3.25 -0.43 0.00 -1.92 -3.44 119.26 113.69 3hww h ALA 46 Ca 0.00 0.00 -0.66 0.00 0.00 0.00 0.00 54.91 54.25 3hww h ALA 46 Cb 0.45 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 18.12 3hww h ALA 46 CO 0.00 0.00 -0.61 -0.06 0.00 0.00 0.00 179.25 178.58 3hww s PHE 47 N -4.01 3.17 -0.20 0.00 0.08 -1.22 -4.72 117.98 111.08 3hww s PHE 47 Ca -0.03 0.14 -0.17 0.00 0.12 0.00 0.00 56.93 56.99 3hww s PHE 47 Cb 0.12 -1.71 -0.04 0.00 -0.57 0.00 0.00 43.02 40.82 3hww s PHE 47 CO 0.44 0.50 0.44 0.42 -0.10 0.00 0.00 175.22 176.92 3hww s ILE 48 N -1.11 5.17 -0.13 0.64 1.01 0.15 -4.99 121.20 121.94 3hww s ILE 48 Ca 0.20 0.79 -0.05 0.00 0.00 0.00 0.00 60.65 61.58 3hww s ILE 48 Cb -0.12 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 3hww s ILE 48 CO 0.11 0.23 0.07 -1.00 0.00 0.00 0.00 174.94 174.35 3hww s HIS 49 N 1.40 3.36 0.03 3.97 3.76 -1.26 -0.65 115.29 125.89 3hww s HIS 49 Ca 0.21 0.29 0.05 0.00 -0.15 0.00 0.00 55.06 55.46 3hww s HIS 49 Cb -0.15 -1.93 -0.02 0.00 1.11 0.00 0.00 32.58 31.59 3hww s HIS 49 CO 0.09 0.48 -0.15 -1.01 -0.85 0.00 0.00 174.74 173.29 3hww s HIS 50 N -0.56 1.33 0.05 1.40 3.76 0.69 -4.95 115.29 117.00 3hww s HIS 50 Ca 0.11 -0.32 0.07 0.00 -0.15 0.00 0.00 55.06 54.76 3hww s HIS 50 Cb -0.12 -0.81 -0.03 0.00 1.11 0.00 0.00 32.58 32.74 3hww s HIS 50 CO 0.02 0.03 -0.19 0.95 -0.85 0.00 0.00 174.74 174.70 3hww s THR 51 N -0.70 1.52 -0.02 1.30 -4.23 -1.26 0.04 115.64 112.29 3hww s THR 51 Ca 0.04 -1.22 -0.14 0.00 -1.18 0.00 0.00 61.69 59.19 3hww s THR 51 Cb -0.07 -1.35 0.02 0.00 1.34 0.00 0.00 72.50 72.44 3hww s THR 51 CO 0.01 0.09 0.30 -2.28 -0.54 0.00 0.00 174.62 172.20 3hww s HIS 52 N -0.89 -0.17 -0.25 3.99 2.46 -0.99 -4.93 115.29 114.50 3hww s HIS 52 Ca 0.05 0.27 0.18 0.00 0.47 0.00 0.00 55.06 56.04 3hww s HIS 52 Cb -0.09 0.09 0.12 0.00 -0.13 0.00 0.00 32.58 32.57 3hww s HIS 52 CO 0.02 -0.37 1.40 0.27 -2.47 0.00 0.00 174.74 173.59 3hww h PHE 53 N 4.00 0.00 -3.65 3.88 -5.15 -1.97 -3.36 116.94 110.68 3hww h PHE 53 Ca -0.30 0.00 -0.69 0.00 -0.20 0.00 0.00 57.97 56.79 3hww h PHE 53 Cb 1.18 0.00 -0.19 0.00 0.22 0.00 0.00 35.95 37.16 3hww h PHE 53 CO 0.52 0.31 -0.43 0.34 -2.00 0.00 0.00 178.31 177.05 3hww s ASP 54 N -6.22 6.09 0.46 -0.68 -1.08 -1.26 -4.98 116.67 109.00 3hww s ASP 54 Ca 0.04 -0.51 0.17 0.00 -0.52 0.00 0.00 52.55 51.72 3hww s ASP 54 Cb 0.07 -2.15 1.07 0.00 -1.46 0.00 0.00 42.92 40.44 3hww s ASP 54 CO 0.73 -0.31 1.99 -0.33 0.52 0.00 0.00 175.17 177.78 3hww h GLU 55 N 8.53 0.00 -0.33 4.34 3.07 -1.90 0.26 114.58 128.55 3hww h GLU 55 Ca -0.30 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.54 3hww h GLU 55 Cb 1.15 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.04 3hww h GLU 55 CO 0.67 0.19 0.13 -0.09 -1.40 0.00 0.00 179.01 178.51 3hww h ARG 56 N 0.00 0.50 0.00 2.33 2.43 -1.89 -1.53 114.38 116.21 3hww h ARG 56 Ca -0.00 -0.09 -0.12 0.00 -0.81 0.00 0.00 59.98 58.96 3hww h ARG 56 Cb 0.35 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 3hww h ARG 56 CO 0.02 0.50 -0.57 0.78 -1.51 0.00 0.00 179.97 179.19 3hww h GLY 57 N 0.39 0.00 0.99 2.80 0.00 -1.65 -2.84 103.07 102.76 3hww h GLY 57 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.44 3hww h GLY 57 CO -0.01 0.00 0.20 -2.00 0.00 0.00 0.00 176.54 174.73 3hww h LEU 58 N 0.00 0.37 -0.74 3.11 5.85 -0.22 0.07 115.31 123.75 3hww h LEU 58 Ca -0.01 -0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.81 3hww h LEU 58 Cb 1.20 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 42.05 3hww h LEU 58 CO 0.07 0.29 0.33 1.23 -0.34 0.00 0.00 178.44 180.03 3hww h GLY 59 N 0.42 1.13 1.29 3.75 0.00 -1.08 -2.20 103.07 106.37 3hww h GLY 59 Ca 0.11 -0.19 -0.18 0.00 0.00 0.00 0.00 47.33 47.08 3hww h GLY 59 CO -0.02 -0.03 -0.56 0.45 0.00 0.00 0.00 176.54 176.38 3hww h HIS 60 N 0.52 0.94 -0.27 5.60 3.86 -1.27 -1.01 115.15 123.53 3hww h HIS 60 Ca 0.39 -0.34 0.06 0.00 -1.16 0.00 0.00 60.37 59.32 3hww h HIS 60 Cb 0.52 -0.17 -0.08 0.00 1.06 0.00 0.00 27.41 28.73 3hww h HIS 60 CO -0.13 1.13 -0.41 1.25 0.86 0.00 0.00 177.93 180.63 3hww h LEU 61 N 0.57 -1.31 -0.98 2.43 5.85 -0.75 0.14 115.31 121.26 3hww h LEU 61 Ca 0.01 0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.95 3hww h LEU 61 Cb 1.15 0.56 -0.06 0.00 0.37 0.00 0.00 40.66 42.68 3hww h LEU 61 CO 0.12 -0.39 0.64 0.00 -0.34 0.00 0.00 178.44 178.47 3hww h ALA 62 N 0.32 1.29 -0.09 1.25 0.00 -1.32 0.19 119.26 120.90 3hww h ALA 62 Ca 0.11 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hww h ALA 62 Cb 0.59 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 3hww h ALA 62 CO -0.48 0.53 0.04 1.25 0.00 0.00 0.00 179.25 180.60 3hww h LEU 63 N 1.24 0.12 -0.65 0.00 5.85 -0.94 0.48 115.31 121.42 3hww h LEU 63 Ca 0.39 -0.14 0.11 0.00 0.84 0.00 0.00 57.88 59.08 3hww h LEU 63 Cb -0.00 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 40.91 3hww h LEU 63 CO -0.12 0.22 0.23 1.23 -0.34 0.00 0.00 178.44 179.66 3hww h GLY 64 N 0.01 0.91 0.78 3.75 0.00 0.30 0.22 103.07 109.04 3hww h GLY 64 Ca 0.03 -0.11 0.02 0.00 0.00 0.00 0.00 47.33 47.27 3hww h GLY 64 CO -0.00 -0.05 -0.02 1.41 0.00 0.00 0.00 176.54 177.88 3hww h LEU 65 N 0.40 -0.08 -0.35 3.11 3.38 -0.02 -2.61 115.31 119.13 3hww h LEU 65 Ca 0.33 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.32 3hww h LEU 65 Cb 0.45 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3hww h LEU 65 CO -0.35 -0.02 0.14 0.00 0.09 0.00 0.00 178.44 178.30 3hww h ALA 66 N 1.12 0.45 -0.53 1.53 0.00 -0.58 0.55 119.26 121.80 3hww h ALA 66 Ca 0.06 -0.13 0.11 0.00 0.00 0.00 0.00 54.91 54.94 3hww h ALA 66 Cb 0.08 -0.14 -0.10 0.00 0.00 0.00 0.00 17.79 17.64 3hww h ALA 66 CO -0.12 0.06 -0.13 -0.22 0.00 0.00 0.00 179.25 178.84 3hww h LYS 67 N 0.42 0.00 0.08 0.00 3.64 -0.43 0.21 116.57 120.49 3hww h LYS 67 Ca 0.12 -0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.39 3hww h LYS 67 Cb 0.19 -0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.02 3hww h LYS 67 CO -0.01 0.00 -0.48 0.28 -2.27 0.00 0.00 179.45 176.97 3hww h VAL 68 N 0.00 1.62 0.00 2.00 2.07 -1.40 -3.36 116.25 117.19 3hww h VAL 68 Ca 0.26 -2.45 -0.05 0.00 0.82 0.00 0.00 66.70 65.28 3hww h VAL 68 Cb 0.39 3.27 -0.01 0.00 -1.52 0.00 0.00 31.29 33.42 3hww h VAL 68 CO -0.54 0.67 -0.22 0.77 0.02 0.00 0.00 177.57 178.26 3hww h SER 69 N -0.64 0.00 -0.77 0.57 4.64 -0.83 -3.47 113.55 113.05 3hww h SER 69 Ca -0.09 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.90 3hww h SER 69 Cb 1.37 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 63.33 3hww h SER 69 CO 0.08 0.22 -0.30 0.29 -0.87 0.00 0.00 176.83 176.25 3hww n LYS 70 N -3.58 -1.41 -4.41 4.77 4.76 0.71 -4.99 118.16 114.01 3hww n LYS 70 Ca -0.01 1.07 -0.24 0.00 -2.87 0.00 0.00 58.31 56.25 3hww n LYS 70 Cb 0.36 -5.39 -0.10 0.00 -1.84 0.00 0.00 35.03 28.07 3hww n LYS 70 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 3hww s GLN 71 N -3.35 1.81 0.42 1.97 -1.52 -1.26 -5.04 119.66 112.69 3hww s GLN 71 Ca 0.00 -1.63 -0.24 0.00 -1.95 0.00 0.00 55.36 51.54 3hww s GLN 71 Cb 0.00 -1.89 -0.08 0.00 -0.22 0.00 0.00 33.01 30.82 3hww s GLN 71 CO 0.00 0.35 1.13 -1.25 -0.25 0.00 0.00 175.29 175.27 3hww s PRO 72 N -3.38 3.99 -0.03 2.91 0.04 -1.26 -4.54 135.00 132.73 3hww s PRO 72 Ca 0.29 1.72 0.04 0.00 0.04 0.00 0.00 61.00 63.09 3hww s PRO 72 Cb -0.06 -2.55 -0.01 0.00 0.04 0.00 0.00 34.50 31.93 3hww s PRO 72 CO 0.15 -0.34 -0.16 0.08 0.04 0.00 0.00 177.00 176.77 3hww s VAL 73 N -1.53 1.29 0.15 -0.36 1.01 -0.34 -4.20 120.40 116.41 3hww s VAL 73 Ca 0.59 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.93 3hww s VAL 73 Cb -0.27 -1.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 3hww s VAL 73 CO 0.34 0.37 0.29 0.00 0.00 0.00 0.00 175.10 176.10 3hww s ALA 74 N -0.17 3.96 -0.02 5.51 0.00 -0.87 -0.28 121.76 129.89 3hww s ALA 74 Ca 0.02 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 51.00 3hww s ALA 74 Cb -0.08 -1.80 0.00 0.00 0.00 0.00 0.00 23.12 21.23 3hww s ALA 74 CO 0.00 0.54 -0.08 0.08 0.00 0.00 0.00 175.76 176.30 3hww s VAL 75 N -1.75 0.68 -0.09 0.00 1.01 0.72 -1.31 120.40 119.67 3hww s VAL 75 Ca 0.35 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 62.05 3hww s VAL 75 Cb -0.11 -0.60 -0.00 0.00 0.00 0.00 0.00 36.38 35.66 3hww s VAL 75 CO 0.29 0.21 -0.23 -0.63 0.00 0.00 0.00 175.10 174.73 3hww s ILE 76 N 0.09 1.98 0.04 2.22 1.01 -0.43 0.12 121.20 126.24 3hww s ILE 76 Ca -0.01 -0.99 -0.00 0.00 0.00 0.00 0.00 60.65 59.65 3hww s ILE 76 Cb -0.07 -1.71 -0.03 0.00 0.01 0.00 0.00 42.46 40.66 3hww s ILE 76 CO 0.00 0.54 -0.03 0.68 0.00 0.00 0.00 174.94 176.13 3hww s VAL 77 N 0.24 0.22 0.91 2.92 -7.23 -0.93 -2.80 120.40 113.74 3hww s VAL 77 Ca -0.15 -1.54 -0.15 0.00 -1.81 0.00 0.00 61.98 58.34 3hww s VAL 77 Cb -0.17 -1.14 0.16 0.00 0.56 0.00 0.00 36.38 35.79 3hww s VAL 77 CO 0.07 -0.83 1.27 0.28 -0.31 0.00 0.00 175.10 175.58 3hww s THR 78 N -3.13 2.00 0.57 5.32 -1.32 -1.26 -1.49 115.64 116.33 3hww s THR 78 Ca 0.00 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.31 3hww s THR 78 Cb 0.02 -3.00 -0.05 0.00 -1.51 0.00 0.00 72.50 67.97 3hww s THR 78 CO -0.07 0.00 1.06 -0.94 -2.21 0.00 0.00 174.62 172.46 3hww s SER 79 N -4.77 5.88 0.00 8.08 1.04 -1.17 -4.31 113.70 118.45 3hww s SER 79 Ca 0.70 1.89 0.00 0.00 0.48 0.00 0.00 55.95 59.01 3hww s SER 79 Cb -0.06 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.51 3hww s SER 79 CO 0.52 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 174.24 3hww n GLY 80 N -0.68 -0.02 0.22 7.32 0.00 -1.25 -4.58 105.19 106.20 3hww n GLY 80 Ca 0.09 -2.24 0.14 0.00 0.00 0.00 0.00 46.02 44.01 3hww n GLY 80 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3hww h THR 81 N 0.00 0.00 -0.89 2.61 1.35 -1.91 0.74 112.91 114.81 3hww h THR 81 Ca 0.00 0.00 0.24 0.00 -0.55 0.00 0.00 66.41 66.10 3hww h THR 81 Cb 0.00 0.61 -0.14 0.00 -1.73 0.00 0.00 68.15 66.90 3hww h THR 81 CO 0.00 0.00 0.29 0.00 -0.25 0.00 0.00 175.52 175.56 3hww h ALA 82 N 1.89 1.35 -0.58 6.62 0.00 -1.83 -1.01 119.26 125.70 3hww h ALA 82 Ca 0.00 0.21 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 3hww h ALA 82 Cb 0.09 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3hww h ALA 82 CO 0.00 -0.45 -0.05 0.28 0.00 0.00 0.00 179.25 179.03 3hww h VAL 83 N 0.25 1.27 0.00 0.00 2.07 -1.03 -2.75 116.25 116.06 3hww h VAL 83 Ca 0.56 -1.21 -0.07 0.00 0.82 0.00 0.00 66.70 66.80 3hww h VAL 83 Cb 1.14 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 3hww h VAL 83 CO -0.62 0.44 -0.32 0.00 0.02 0.00 0.00 177.57 177.08 3hww h ALA 84 N 0.96 1.09 0.00 1.67 0.00 -1.32 -1.44 119.26 120.23 3hww h ALA 84 Ca 0.16 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3hww h ALA 84 Cb 0.62 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3hww h ALA 84 CO 0.04 0.40 0.00 -0.91 0.00 0.00 0.00 179.25 178.78 3hww h ASN 85 N 0.00 0.00 0.98 0.00 2.35 -1.07 -2.32 115.58 115.51 3hww h ASN 85 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3hww h ASN 85 Cb 0.76 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.13 3hww h ASN 85 CO 0.04 0.00 0.00 0.18 -1.65 0.00 0.00 177.43 176.00 3hww n LEU 86 N -2.31 0.01 -0.01 1.61 4.77 -0.54 -3.68 117.00 116.85 3hww n LEU 86 Ca -0.00 0.50 -0.11 0.00 -0.03 0.00 0.00 56.01 56.37 3hww n LEU 86 Cb 0.11 -0.50 -0.05 0.00 -2.33 0.00 0.00 43.42 40.65 3hww n LEU 86 CO 0.14 -0.02 0.91 0.22 -1.33 0.00 0.00 177.39 177.31 3hww h TYR 87 N 0.00 0.15 -0.83 -1.77 5.03 -1.60 -1.98 116.97 115.98 3hww h TYR 87 Ca 0.00 0.00 0.15 0.00 2.58 0.00 0.00 58.73 61.46 3hww h TYR 87 Cb 0.49 -0.05 -0.10 0.00 1.55 0.00 0.00 36.73 38.62 3hww h TYR 87 CO 0.00 0.12 0.40 -1.35 -1.32 0.00 0.00 178.16 176.01 3hww h PRO 88 N 0.14 0.54 0.00 1.82 0.11 -1.83 0.89 132.00 133.67 3hww h PRO 88 Ca 0.04 -0.03 -0.16 0.00 0.11 0.00 0.00 66.00 65.96 3hww h PRO 88 Cb 0.01 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 30.98 3hww h PRO 88 CO -0.01 0.36 -0.81 0.00 -0.21 0.00 0.00 178.00 177.32 3hww h ALA 89 N 1.57 0.52 -0.49 -0.75 0.00 -1.78 -1.53 119.26 116.79 3hww h ALA 89 Ca 0.46 -0.72 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 3hww h ALA 89 Cb 0.68 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3hww h ALA 89 CO -0.39 0.97 0.07 1.25 0.00 0.00 0.00 179.25 181.16 3hww h LEU 90 N 0.00 0.79 -0.10 0.00 5.85 -0.45 -0.82 115.31 120.59 3hww h LEU 90 Ca -0.02 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 3hww h LEU 90 Cb 1.60 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.42 3hww h LEU 90 CO 0.10 0.85 0.02 0.40 -0.34 0.00 0.00 178.44 179.47 3hww h ILE 91 N 0.69 1.20 -0.17 4.05 2.04 -0.72 -1.74 117.51 122.87 3hww h ILE 91 Ca 0.15 -0.61 0.05 0.00 1.00 0.00 0.00 64.86 65.45 3hww h ILE 91 Cb 0.40 1.42 -0.07 0.00 -0.74 0.00 0.00 36.82 37.84 3hww h ILE 91 CO 0.01 0.17 -0.36 -0.08 0.00 0.00 0.00 178.15 177.89 3hww h GLU 92 N -0.06 -0.40 -0.97 2.37 4.57 -1.17 -2.51 114.58 116.41 3hww h GLU 92 Ca 0.03 0.03 0.19 0.00 -1.18 0.00 0.00 59.36 58.43 3hww h GLU 92 Cb 0.25 0.09 -0.09 0.00 -0.16 0.00 0.00 28.75 28.85 3hww h GLU 92 CO 0.00 -0.27 0.61 0.00 -1.18 0.00 0.00 179.01 178.18 3hww h ALA 93 N 0.34 1.87 0.00 2.92 0.00 -1.00 0.40 119.26 123.79 3hww h ALA 93 Ca 0.10 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3hww h ALA 93 Cb 0.58 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3hww h ALA 93 CO -0.40 -0.20 -0.01 0.78 0.00 0.00 0.00 179.25 179.41 3hww h GLY 94 N 0.65 0.00 0.13 0.00 0.00 -0.88 0.79 103.07 103.75 3hww h GLY 94 Ca 0.53 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 47.48 3hww h GLY 94 CO -0.29 0.00 -2.37 1.04 0.00 0.00 0.00 176.54 174.91 3hww n LEU 95 N -3.14 2.59 -0.00 3.11 4.77 0.12 -4.58 117.00 119.88 3hww n LEU 95 Ca -0.01 -0.05 0.10 0.00 -0.03 0.00 0.00 56.01 56.02 3hww n LEU 95 Cb 0.22 -0.79 -0.10 0.00 -2.33 0.00 0.00 43.42 40.43 3hww n LEU 95 CO 0.25 0.87 -0.02 0.35 -1.33 0.00 0.00 177.39 177.51 3hww n THR 96 N -3.25 0.00 -0.29 -5.08 -2.24 -0.09 -4.96 114.28 98.38 3hww n THR 96 Ca -0.42 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 3hww n THR 96 Cb 1.02 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 70.19 3hww n THR 96 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hww n GLY 97 N 1.50 0.76 3.74 3.38 0.00 0.27 -4.96 105.19 109.88 3hww n GLY 97 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 3hww n GLY 97 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3hww n GLU 98 N -2.16 1.71 -3.38 1.61 4.71 -1.15 -2.22 120.64 119.76 3hww n GLU 98 Ca 0.00 0.63 -0.45 0.00 -0.01 0.00 0.00 57.16 57.33 3hww n GLU 98 Cb 0.00 -2.56 -0.02 0.00 -1.01 0.00 0.00 31.44 27.85 3hww n GLU 98 CO 0.00 0.00 0.00 0.15 0.09 0.00 0.00 177.13 177.37 3hww s LYS 99 N -2.82 3.80 -0.14 3.49 1.02 -1.26 -2.40 119.74 121.43 3hww s LYS 99 Ca 0.71 -2.89 -0.18 0.00 0.02 0.00 0.00 55.97 53.62 3hww s LYS 99 Cb -0.42 -4.41 -0.04 0.00 -0.52 0.00 0.00 37.83 32.44 3hww s LYS 99 CO 0.50 -1.26 0.49 -0.51 -0.92 0.00 0.00 175.35 173.65 3hww s LEU 100 N -0.64 4.23 -0.41 3.17 1.43 -1.26 -1.20 118.68 124.01 3hww s LEU 100 Ca 0.25 0.77 -0.08 0.00 -1.03 0.00 0.00 54.13 54.03 3hww s LEU 100 Cb -0.10 -2.69 0.08 0.00 0.03 0.00 0.00 46.19 43.50 3hww s LEU 100 CO -0.09 -0.06 0.23 -0.63 0.23 0.00 0.00 176.35 176.04 3hww s ILE 101 N 0.94 4.01 -0.33 -0.59 -1.09 0.62 -0.90 121.20 123.85 3hww s ILE 101 Ca 0.25 -1.47 -0.20 0.00 -2.23 0.00 0.00 60.65 57.00 3hww s ILE 101 Cb -0.15 -3.47 -0.00 0.00 -1.58 0.00 0.00 42.46 37.26 3hww s ILE 101 CO 0.10 -0.49 0.63 -0.76 -1.23 0.00 0.00 174.94 173.19 3hww s LEU 102 N 1.38 4.20 -0.46 2.97 1.43 0.17 -0.20 118.68 128.15 3hww s LEU 102 Ca 0.03 0.29 -0.12 0.00 -1.03 0.00 0.00 54.13 53.30 3hww s LEU 102 Cb -0.23 -2.80 0.09 0.00 0.03 0.00 0.00 46.19 43.28 3hww s LEU 102 CO 0.01 -0.54 0.35 -0.76 0.23 0.00 0.00 176.35 175.65 3hww s LEU 103 N 2.66 5.56 -0.44 1.79 1.43 0.33 -0.72 118.68 129.30 3hww s LEU 103 Ca 0.25 -1.58 -0.13 0.00 -1.03 0.00 0.00 54.13 51.64 3hww s LEU 103 Cb -0.15 -2.08 0.06 0.00 0.03 0.00 0.00 46.19 44.05 3hww s LEU 103 CO 0.13 -0.65 0.32 0.42 0.23 0.00 0.00 176.35 176.80 3hww s THR 104 N 1.50 4.83 0.40 5.49 -4.23 -0.71 -2.18 115.64 120.75 3hww s THR 104 Ca 0.04 -1.11 -0.25 0.00 -1.18 0.00 0.00 61.69 59.18 3hww s THR 104 Cb -0.25 -3.87 -0.11 0.00 1.34 0.00 0.00 72.50 69.61 3hww s THR 104 CO 0.03 -0.49 1.11 0.00 -0.54 0.00 0.00 174.62 174.73 3hww n ALA 105 N 5.08 0.58 -2.27 3.99 0.00 -0.55 0.54 120.51 127.87 3hww n ALA 105 Ca -0.11 0.26 -0.09 0.00 0.00 0.00 0.00 53.44 53.50 3hww n ALA 105 Cb 0.44 -2.15 -0.10 0.00 0.00 0.00 0.00 19.45 17.64 3hww n ALA 105 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hww s ASP 106 N -0.63 0.71 0.69 0.00 -1.08 -0.19 -3.01 116.67 113.16 3hww s ASP 106 Ca 0.62 -0.91 -0.13 0.00 -0.52 0.00 0.00 52.55 51.61 3hww s ASP 106 Cb -0.55 0.14 0.01 0.00 -1.46 0.00 0.00 42.92 41.06 3hww s ASP 106 CO 0.58 -0.49 1.08 -0.13 0.52 0.00 0.00 175.17 176.72 3hww s ARG 107 N -3.45 2.76 0.78 4.34 1.81 -1.26 -2.75 118.95 121.18 3hww s ARG 107 Ca 0.05 1.16 -0.11 0.00 -1.72 0.00 0.00 55.73 55.11 3hww s ARG 107 Cb 0.04 -1.96 0.06 0.00 -0.45 0.00 0.00 34.95 32.64 3hww s ARG 107 CO -0.07 -1.25 1.08 -1.25 -0.68 0.00 0.00 175.30 173.14 3hww s PRO 108 N -4.61 2.20 0.57 3.54 0.04 -1.23 -4.58 135.00 130.92 3hww s PRO 108 Ca 0.62 0.99 0.26 0.00 0.04 0.00 0.00 61.00 62.91 3hww s PRO 108 Cb -0.17 -1.90 1.60 0.00 0.04 0.00 0.00 34.50 34.07 3hww s PRO 108 CO 0.49 -1.63 2.14 -1.00 0.04 0.00 0.00 177.00 177.04 3hww h PRO 109 N -1.11 0.00 0.00 0.56 0.13 -1.95 0.14 132.00 129.77 3hww h PRO 109 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3hww h PRO 109 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3hww h PRO 109 CO 0.54 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.24 3hww h GLU 110 N 0.00 0.00 -0.57 0.86 3.07 -2.02 -2.82 114.58 113.11 3hww h GLU 110 Ca 0.06 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.92 3hww h GLU 110 Cb 0.31 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 3hww h GLU 110 CO -0.00 0.00 0.00 1.28 -1.40 0.00 0.00 179.01 178.89 3hww n LEU 111 N -2.68 3.69 -4.83 1.33 4.77 0.49 -4.92 117.00 114.85 3hww n LEU 111 Ca -0.00 -2.09 -0.37 0.00 -0.03 0.00 0.00 56.01 53.51 3hww n LEU 111 Cb 0.17 -0.41 -0.06 0.00 -2.33 0.00 0.00 43.42 40.78 3hww n LEU 111 CO 0.20 0.86 -0.05 -0.63 -1.33 0.00 0.00 177.39 176.44 3hww s ILE 112 N -1.17 5.30 -0.76 -0.08 -1.09 -1.07 -4.46 121.20 117.87 3hww s ILE 112 Ca 0.40 0.48 -0.04 0.00 -2.23 0.00 0.00 60.65 59.26 3hww s ILE 112 Cb 0.22 -3.55 0.00 0.00 -1.58 0.00 0.00 42.46 37.55 3hww s ILE 112 CO 0.25 0.56 0.49 0.47 -1.23 0.00 0.00 174.94 175.48 3hww n ASP 113 N 2.28 -4.16 -1.28 3.58 8.00 -1.26 -4.90 116.55 118.81 3hww n ASP 113 Ca -0.16 -0.23 0.01 0.00 0.71 0.00 0.00 54.79 55.12 3hww n ASP 113 Cb 0.53 -2.87 -0.00 0.00 -0.02 0.00 0.00 41.12 38.76 3hww n ASP 113 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hww n GLY 115 N 0.33 1.09 3.79 0.00 0.00 -1.26 -5.02 105.19 104.11 3hww n GLY 115 Ca -0.03 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.38 3hww n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hww s ALA 116 N -2.61 2.44 0.28 4.61 0.00 -1.26 -5.00 121.76 120.22 3hww s ALA 116 Ca 0.00 0.26 -0.29 0.00 0.00 0.00 0.00 51.96 51.94 3hww s ALA 116 Cb 0.00 -3.25 -0.09 0.00 0.00 0.00 0.00 23.12 19.78 3hww s ALA 116 CO 0.00 -1.48 0.99 1.21 0.00 0.00 0.00 175.76 176.49 3hww s ASN 117 N -3.36 7.41 -1.47 0.00 3.04 -1.26 -3.80 114.94 115.49 3hww s ASN 117 Ca 0.61 2.02 -0.07 0.00 0.04 0.00 0.00 52.86 55.46 3hww s ASN 117 Cb -0.17 -2.61 0.03 0.00 -1.54 0.00 0.00 41.25 36.97 3hww s ASN 117 CO 0.52 -0.02 0.72 1.67 -3.04 0.00 0.00 177.10 176.95 3hww n GLN 118 N 1.08 -5.19 -4.08 0.43 7.27 -1.26 -4.95 117.38 110.69 3hww n GLN 118 Ca -0.00 0.78 -0.32 0.00 0.07 0.00 0.00 57.00 57.53 3hww n GLN 118 Cb 0.47 -5.65 -0.16 0.00 2.41 0.00 0.00 30.24 27.31 3hww n GLN 118 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 3hww s ALA 119 N -3.17 2.19 0.18 1.69 0.00 -1.25 -3.81 121.76 117.59 3hww s ALA 119 Ca 0.41 -1.17 -0.03 0.00 0.00 0.00 0.00 51.96 51.18 3hww s ALA 119 Cb -0.19 -1.18 -0.03 0.00 0.00 0.00 0.00 23.12 21.72 3hww s ALA 119 CO 0.50 -0.45 0.15 0.96 0.00 0.00 0.00 175.76 176.92 3hww s ILE 120 N 1.34 0.03 -0.55 0.00 -4.36 -1.26 -4.80 121.20 111.61 3hww s ILE 120 Ca 0.04 -1.89 -0.28 0.00 -0.26 0.00 0.00 60.65 58.26 3hww s ILE 120 Cb -0.14 -2.31 0.01 0.00 1.25 0.00 0.00 42.46 41.27 3hww s ILE 120 CO -0.12 -0.14 1.47 -0.13 0.24 0.00 0.00 174.94 176.27 3hww s ARG 121 N -4.11 3.26 -0.24 0.37 0.52 -1.26 -4.87 118.95 112.62 3hww s ARG 121 Ca 0.32 0.54 -0.04 0.00 -0.52 0.00 0.00 55.73 56.03 3hww s ARG 121 Cb 0.06 -4.15 -0.18 0.00 0.52 0.00 0.00 34.95 31.21 3hww s ARG 121 CO 0.08 -1.98 -0.13 1.04 0.02 0.00 0.00 175.30 174.33 3hww n GLN 122 N 8.67 0.65 -1.72 3.54 6.02 -1.26 -4.71 117.38 128.57 3hww n GLN 122 Ca 0.14 0.21 -0.43 0.00 -0.01 0.00 0.00 57.00 56.91 3hww n GLN 122 Cb 0.49 -1.56 -0.02 0.00 1.02 0.00 0.00 30.24 30.18 3hww n GLN 122 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 3hww n PRO 123 N -3.55 2.40 -0.84 -1.09 -0.02 -1.26 -1.96 135.00 128.69 3hww n PRO 123 Ca -0.45 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 3hww n PRO 123 Cb 0.96 -2.57 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 3hww n PRO 123 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hww n GLY 124 N 1.93 0.82 0.41 -1.23 0.00 -1.26 -4.91 105.19 100.96 3hww n GLY 124 Ca 0.09 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.32 3hww n GLY 124 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3hww h MET 125 N 2.22 0.35 -0.68 1.61 4.05 -1.68 0.15 114.93 120.95 3hww h MET 125 Ca 0.00 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 3hww h MET 125 Cb 0.00 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 30.72 3hww h MET 125 CO 0.00 0.23 0.00 1.19 0.23 0.00 0.00 176.91 178.56 3hww n PHE 126 N -4.50 0.98 -0.14 1.39 3.72 -1.26 -5.04 117.46 112.62 3hww n PHE 126 Ca 0.20 -0.47 0.00 0.00 -0.05 0.00 0.00 57.45 57.13 3hww n PHE 126 Cb 0.76 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 39.27 3hww n PHE 126 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3hww n ALA 127 N 1.44 0.00 1.35 4.37 0.00 0.04 -1.19 120.51 126.53 3hww n ALA 127 Ca 0.23 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.78 3hww n ALA 127 Cb 0.61 0.00 0.42 0.00 0.00 0.00 0.00 19.45 20.48 3hww n ALA 127 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hww n SER 128 N 4.15 1.43 0.07 0.00 3.41 -1.26 -4.39 113.62 117.04 3hww n SER 128 Ca 0.00 -1.64 -0.17 0.00 -0.26 0.00 0.00 58.87 56.80 3hww n SER 128 Cb 0.00 -0.08 -0.08 0.00 -0.26 0.00 0.00 64.21 63.78 3hww n SER 128 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 175.04 175.33 3hww h HIS 129 N 1.95 0.80 -4.31 7.33 -0.00 -1.56 -3.44 115.15 115.91 3hww h HIS 129 Ca 0.00 -0.46 -0.51 0.00 -0.00 0.00 0.00 60.37 59.40 3hww h HIS 129 Cb 0.42 -0.08 0.09 0.00 -0.00 0.00 0.00 27.41 27.85 3hww h HIS 129 CO 0.08 1.29 0.36 -2.14 -0.00 0.00 0.00 177.93 177.53 3hww s PRO 130 N -3.18 2.92 0.13 2.45 0.02 -1.26 -4.66 135.00 131.42 3hww s PRO 130 Ca -0.07 1.04 -0.11 0.00 0.02 0.00 0.00 61.00 61.87 3hww s PRO 130 Cb 0.08 -1.99 -0.08 0.00 0.02 0.00 0.00 34.50 32.53 3hww s PRO 130 CO 0.90 -1.12 1.41 1.15 -0.33 0.00 0.00 177.00 179.01 3hww h THR 131 N -0.54 1.27 -3.96 0.99 2.02 0.01 -3.46 112.91 109.24 3hww h THR 131 Ca -0.44 -1.73 -0.27 0.00 0.77 0.00 0.00 66.41 64.74 3hww h THR 131 Cb 1.22 1.63 -0.21 0.00 -1.74 0.00 0.00 68.15 69.04 3hww h THR 131 CO 0.56 0.57 -0.73 -1.00 0.37 0.00 0.00 175.52 175.28 3hww s HIS 132 N -4.13 0.63 -0.03 3.16 3.76 -1.17 -5.06 115.29 112.44 3hww s HIS 132 Ca -0.11 -0.48 0.02 0.00 -0.15 0.00 0.00 55.06 54.34 3hww s HIS 132 Cb 0.10 -0.38 0.01 0.00 1.11 0.00 0.00 32.58 33.42 3hww s HIS 132 CO 0.89 -0.09 -0.09 -1.12 -0.85 0.00 0.00 174.74 173.49 3hww s SER 133 N -1.51 1.23 -0.16 1.40 0.01 -1.26 -1.48 113.70 111.94 3hww s SER 133 Ca -0.10 -0.19 0.01 0.00 1.31 0.00 0.00 55.95 56.97 3hww s SER 133 Cb -0.10 -0.42 0.02 0.00 0.21 0.00 0.00 66.02 65.74 3hww s SER 133 CO 0.00 0.04 -0.15 -0.63 0.41 0.00 0.00 173.24 172.91 3hww s ILE 134 N 0.39 1.68 -0.57 1.44 1.01 0.15 -4.94 121.20 120.36 3hww s ILE 134 Ca -0.06 -0.72 -0.16 0.00 0.00 0.00 0.00 60.65 59.70 3hww s ILE 134 Cb -0.11 -1.58 0.13 0.00 0.01 0.00 0.00 42.46 40.92 3hww s ILE 134 CO 0.01 0.46 0.54 -0.44 0.00 0.00 0.00 174.94 175.51 3hww s SER 135 N 1.44 6.24 0.44 3.58 0.01 -1.26 -1.33 113.70 122.81 3hww s SER 135 Ca 0.05 -1.83 -0.24 0.00 1.31 0.00 0.00 55.95 55.23 3hww s SER 135 Cb -0.13 -2.22 -0.08 0.00 0.21 0.00 0.00 66.02 63.80 3hww s SER 135 CO -0.11 -0.86 1.25 -0.76 0.41 0.00 0.00 173.24 173.17 3hww s LEU 136 N 1.59 4.10 0.83 2.44 1.43 -0.97 -5.00 118.68 123.11 3hww s LEU 136 Ca 0.05 2.53 -0.11 0.00 -1.03 0.00 0.00 54.13 55.57 3hww s LEU 136 Cb -0.28 -4.07 0.09 0.00 0.03 0.00 0.00 46.19 41.97 3hww s LEU 136 CO 0.02 -0.94 1.12 -2.16 0.23 0.00 0.00 176.35 174.62 3hww s PRO 137 N -2.47 1.72 0.15 1.29 0.04 -1.26 -4.48 135.00 129.98 3hww s PRO 137 Ca 0.61 1.36 -0.34 0.00 0.04 0.00 0.00 61.00 62.67 3hww s PRO 137 Cb -0.35 -1.82 -0.15 0.00 0.04 0.00 0.00 34.50 32.22 3hww s PRO 137 CO 0.43 -2.08 1.40 -2.13 0.04 0.00 0.00 177.00 174.67 3hww n ARG 138 N -3.78 1.63 -1.85 4.56 0.63 -1.26 -4.69 116.66 111.89 3hww n ARG 138 Ca 0.10 0.59 -0.41 0.00 -0.92 0.00 0.00 57.85 57.21 3hww n ARG 138 Cb 0.52 -2.25 -0.01 0.00 0.45 0.00 0.00 32.46 31.17 3hww n ARG 138 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 3hww s PRO 139 N 0.35 4.16 -0.07 -0.14 0.02 -1.26 -5.01 135.00 133.04 3hww s PRO 139 Ca 0.78 2.50 -0.22 0.00 0.02 0.00 0.00 61.00 64.09 3hww s PRO 139 Cb -0.80 -3.02 0.05 0.00 0.02 0.00 0.00 34.50 30.76 3hww s PRO 139 CO 0.45 -0.52 0.50 -0.08 -0.33 0.00 0.00 177.00 177.02 3hww s THR 140 N -0.58 0.02 -1.64 0.99 -1.32 -1.26 -4.92 115.64 106.93 3hww s THR 140 Ca 0.57 -0.18 0.18 0.00 -1.21 0.00 0.00 61.69 61.05 3hww s THR 140 Cb -0.46 -0.79 0.38 0.00 -1.51 0.00 0.00 72.50 70.13 3hww s THR 140 CO 0.54 -0.10 1.51 0.00 -2.21 0.00 0.00 174.62 174.36 3hww n GLN 141 N 1.51 0.37 0.12 7.08 6.02 -1.26 -2.53 117.38 128.68 3hww n GLN 141 Ca -0.19 0.08 0.13 0.00 -0.01 0.00 0.00 57.00 57.01 3hww n GLN 141 Cb 0.56 -1.50 0.42 0.00 1.02 0.00 0.00 30.24 30.75 3hww n GLN 141 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 3hww h ASP 142 N 0.00 0.00 -3.58 1.08 3.32 -1.99 -3.40 116.42 111.85 3hww h ASP 142 Ca 0.00 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.43 3hww h ASP 142 Cb 0.10 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.50 3hww h ASP 142 CO 0.00 0.00 -0.51 -0.63 -1.72 0.00 0.00 179.24 176.38 3hww s ILE 143 N -3.18 5.28 0.48 0.35 1.01 -1.05 -5.07 121.20 119.03 3hww s ILE 143 Ca 0.09 0.15 -0.19 0.00 0.00 0.00 0.00 60.65 60.70 3hww s ILE 143 Cb 0.11 -3.46 -0.09 0.00 0.01 0.00 0.00 42.46 39.03 3hww s ILE 143 CO 0.55 0.35 0.98 -2.16 0.00 0.00 0.00 174.94 174.66 3hww s PRO 144 N 1.06 4.00 0.43 2.79 0.04 -1.26 -4.90 135.00 137.15 3hww s PRO 144 Ca 0.07 1.08 0.12 0.00 0.04 0.00 0.00 61.00 62.31 3hww s PRO 144 Cb -0.14 -2.14 0.99 0.00 0.04 0.00 0.00 34.50 33.25 3hww s PRO 144 CO 0.04 -0.23 1.99 0.00 0.04 0.00 0.00 177.00 178.84 3hww h ALA 145 N 1.34 1.95 0.00 8.56 0.00 -1.92 -1.60 119.26 127.59 3hww h ALA 145 Ca -0.48 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.39 3hww h ALA 145 Cb 1.19 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 3hww h ALA 145 CO 0.61 -0.06 -0.13 0.07 0.00 0.00 0.00 179.25 179.74 3hww h ARG 146 N 0.45 0.00 0.06 0.00 0.11 -1.92 -1.56 114.38 111.51 3hww h ARG 146 Ca 0.26 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.33 3hww h ARG 146 Cb 0.42 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.50 3hww h ARG 146 CO -0.07 0.13 -0.03 2.35 0.10 0.00 0.00 179.97 182.45 3hww h TRP 147 N 0.00 -0.07 -0.20 4.08 7.01 -1.66 -2.06 115.95 123.06 3hww h TRP 147 Ca -0.00 -0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.04 3hww h TRP 147 Cb 0.25 0.02 -0.04 0.00 -2.10 0.00 0.00 29.16 27.30 3hww h TRP 147 CO 0.00 0.21 -0.06 1.25 -2.79 0.00 0.00 178.44 177.05 3hww h LEU 148 N -0.35 -0.21 -0.91 0.65 5.85 -1.28 0.16 115.31 119.23 3hww h LEU 148 Ca -0.01 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 3hww h LEU 148 Cb 0.31 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3hww h LEU 148 CO 0.01 -0.08 0.05 1.62 -0.34 0.00 0.00 178.44 179.71 3hww h VAL 149 N -0.01 1.24 -0.49 1.05 3.04 -1.41 -2.32 116.25 117.35 3hww h VAL 149 Ca 0.10 -0.96 -0.07 0.00 -1.01 0.00 0.00 66.70 64.76 3hww h VAL 149 Cb 0.16 0.78 -0.02 0.00 -2.01 0.00 0.00 31.29 30.20 3hww h VAL 149 CO -0.21 0.35 0.01 0.28 -1.01 0.00 0.00 177.57 176.99 3hww h SER 150 N 0.81 0.76 -0.63 3.17 0.02 -0.87 0.39 113.55 117.20 3hww h SER 150 Ca 0.16 -0.18 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 3hww h SER 150 Cb 0.41 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 3hww h SER 150 CO 0.01 0.82 0.25 0.74 -1.14 0.00 0.00 176.83 177.51 3hww h THR 151 N 0.75 1.23 -0.26 -2.27 2.02 -0.77 0.36 112.91 113.97 3hww h THR 151 Ca 0.15 -0.73 -0.06 0.00 0.77 0.00 0.00 66.41 66.54 3hww h THR 151 Cb 0.44 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 3hww h THR 151 CO 0.02 0.29 -0.06 0.40 0.37 0.00 0.00 175.52 176.54 3hww h ILE 152 N 0.88 1.28 0.00 3.11 2.04 -0.83 -2.34 117.51 121.65 3hww h ILE 152 Ca 0.21 -1.06 -0.02 0.00 1.00 0.00 0.00 64.86 64.99 3hww h ILE 152 Cb 0.21 1.45 -0.00 0.00 -0.74 0.00 0.00 36.82 37.73 3hww h ILE 152 CO -0.02 0.33 -0.10 0.44 0.00 0.00 0.00 178.15 178.80 3hww h ASP 153 N 0.24 0.00 -0.03 1.72 3.32 -0.04 -0.74 116.42 120.90 3hww h ASP 153 Ca 0.07 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.99 3hww h ASP 153 Cb 0.52 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.08 3hww h ASP 153 CO 0.02 0.10 -0.46 -0.74 -1.72 0.00 0.00 179.24 176.45 3hww h HIS 154 N 0.00 0.52 -0.13 4.55 -0.00 -0.82 -0.17 115.15 119.10 3hww h HIS 154 Ca -0.00 -0.26 0.01 0.00 -0.00 0.00 0.00 60.37 60.12 3hww h HIS 154 Cb 0.21 -0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 27.54 3hww h HIS 154 CO 0.00 1.05 0.04 0.00 -0.00 0.00 0.00 177.93 179.02 3hww h ALA 155 N 0.36 0.13 0.03 5.26 0.00 -0.73 -2.74 119.26 121.57 3hww h ALA 155 Ca -0.05 0.01 -0.24 0.00 0.00 0.00 0.00 54.91 54.63 3hww h ALA 155 Cb 1.15 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 3hww h ALA 155 CO 0.09 -0.41 -1.21 -0.07 0.00 0.00 0.00 179.25 177.65 3hww h LEU 156 N 0.10 0.11 -0.79 0.00 3.38 -1.28 -3.16 115.31 113.68 3hww h LEU 156 Ca 0.05 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 3hww h LEU 156 Cb 0.03 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3hww h LEU 156 CO -0.06 1.11 -0.07 1.23 0.09 0.00 0.00 178.44 180.74 3hww h GLY 157 N 2.69 0.91 -0.49 0.83 0.00 -1.01 -3.04 103.07 102.96 3hww h GLY 157 Ca -0.10 -0.67 0.00 0.00 0.00 0.00 0.00 47.33 46.56 3hww h GLY 157 CO 0.14 0.62 0.00 -1.30 0.00 0.00 0.00 176.54 175.99 3hww n THR 158 N -4.17 0.11 -2.53 4.70 -2.24 -1.04 -4.23 114.28 104.88 3hww n THR 158 Ca 0.02 -0.27 -0.42 0.00 -2.27 0.00 0.00 64.05 61.11 3hww n THR 158 Cb 0.35 0.32 -0.03 0.00 -2.10 0.00 0.00 70.33 68.87 3hww n THR 158 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3hww s LEU 159 N -1.74 3.39 0.02 3.22 2.96 -1.15 -4.88 118.68 120.49 3hww s LEU 159 Ca 0.35 0.04 -0.24 0.00 -0.22 0.00 0.00 54.13 54.05 3hww s LEU 159 Cb 0.19 -3.03 -0.18 0.00 0.50 0.00 0.00 46.19 43.67 3hww s LEU 159 CO 0.29 -1.60 1.42 -0.74 -1.32 0.00 0.00 176.35 174.40 3hww h HIS 160 N 9.96 0.04 -2.36 5.38 -0.00 -1.91 -3.49 115.15 122.78 3hww h HIS 160 Ca -0.26 -0.01 0.18 0.00 -0.00 0.00 0.00 60.37 60.28 3hww h HIS 160 Cb 1.06 -0.01 -0.08 0.00 -0.00 0.00 0.00 27.41 28.39 3hww h HIS 160 CO 1.05 0.37 0.49 0.00 -0.00 0.00 0.00 177.93 179.84 3hww s ALA 161 N -4.84 -1.64 0.00 5.26 0.00 -1.26 -5.05 121.76 114.22 3hww s ALA 161 Ca -0.15 0.08 0.00 0.00 0.00 0.00 0.00 51.96 51.89 3hww s ALA 161 Cb 0.03 0.65 0.00 0.00 0.00 0.00 0.00 23.12 23.80 3hww s ALA 161 CO 0.68 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.80 3hww n GLY 162 N -0.49 -1.05 3.97 0.00 0.00 -0.94 -4.71 105.19 101.97 3hww n GLY 162 Ca -0.06 -1.62 -0.22 0.00 0.00 0.00 0.00 46.02 44.12 3hww n GLY 162 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3hww s GLY 163 N -1.90 1.79 -0.08 -0.02 0.00 -1.25 -4.04 107.32 101.83 3hww s GLY 163 Ca 0.00 -1.26 0.01 0.00 0.00 0.00 0.00 44.72 43.47 3hww s GLY 163 CO 0.00 -0.97 -0.08 0.14 0.00 0.00 0.00 173.10 172.19 3hww s VAL 164 N -2.80 0.92 -0.26 1.40 1.01 -0.08 0.72 120.40 121.30 3hww s VAL 164 Ca 0.57 -0.29 -0.09 0.00 0.00 0.00 0.00 61.98 62.16 3hww s VAL 164 Cb -0.10 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.33 3hww s VAL 164 CO 0.39 0.32 0.13 -2.28 0.00 0.00 0.00 175.10 173.67 3hww s HIS 165 N 1.16 3.19 -0.35 5.22 5.65 -0.55 -0.66 115.29 128.95 3hww s HIS 165 Ca -0.06 -0.06 0.02 0.00 0.25 0.00 0.00 55.06 55.21 3hww s HIS 165 Cb -0.14 -2.29 0.10 0.00 -1.18 0.00 0.00 32.58 29.07 3hww s HIS 165 CO -0.02 -0.17 0.07 0.42 -0.65 0.00 0.00 174.74 174.39 3hww s ILE 166 N 1.50 2.55 -0.02 0.89 1.01 0.10 0.30 121.20 127.53 3hww s ILE 166 Ca 0.06 -2.18 -0.30 0.00 0.00 0.00 0.00 60.65 58.23 3hww s ILE 166 Cb -0.15 -2.80 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 3hww s ILE 166 CO 0.07 -0.56 1.29 0.21 0.00 0.00 0.00 174.94 175.95 3hww s ASN 167 N 1.16 6.96 -0.53 3.58 2.47 -0.44 -1.73 114.94 126.40 3hww s ASN 167 Ca 0.08 1.97 0.02 0.00 0.42 0.00 0.00 52.86 55.35 3hww s ASN 167 Cb -0.20 -2.56 0.14 0.00 -1.45 0.00 0.00 41.25 37.17 3hww s ASN 167 CO -0.07 -0.63 0.29 0.00 -3.72 0.00 0.00 177.10 172.98 3hww s PRO 169 N -0.14 3.45 -0.02 0.00 0.04 -1.26 -1.02 135.00 136.05 3hww s PRO 169 Ca 0.16 1.56 0.01 0.00 0.04 0.00 0.00 61.00 62.78 3hww s PRO 169 Cb -0.24 -2.03 0.01 0.00 0.04 0.00 0.00 34.50 32.28 3hww s PRO 169 CO -0.01 -0.76 -0.04 -0.06 0.04 0.00 0.00 177.00 176.17 3hww s PHE 170 N -1.81 0.50 0.52 0.56 0.08 -1.11 -4.39 117.98 112.34 3hww s PHE 170 Ca 0.72 -0.10 -0.20 0.00 0.12 0.00 0.00 56.93 57.47 3hww s PHE 170 Cb -0.22 -0.40 -0.06 0.00 -0.57 0.00 0.00 43.02 41.76 3hww s PHE 170 CO 0.25 -0.07 1.13 0.00 -0.10 0.00 0.00 175.22 176.43 3hww s ALA 171 N 0.31 2.76 0.31 5.36 0.00 -1.26 -3.56 121.76 125.68 3hww s ALA 171 Ca -0.03 0.83 -0.04 0.00 0.00 0.00 0.00 51.96 52.71 3hww s ALA 171 Cb -0.07 -3.36 -0.05 0.00 0.00 0.00 0.00 23.12 19.64 3hww s ALA 171 CO -0.00 -0.72 0.58 -2.00 0.00 0.00 0.00 175.76 173.62 3hww s GLU 172 N -3.17 3.61 0.64 0.00 2.12 -1.26 -4.64 118.70 116.00 3hww s GLU 172 Ca 0.71 -0.01 -0.09 0.00 0.36 0.00 0.00 54.97 55.93 3hww s GLU 172 Cb -0.24 -2.62 -0.00 0.00 0.26 0.00 0.00 34.13 31.53 3hww s GLU 172 CO 0.28 0.17 1.00 -1.25 -0.54 0.00 0.00 175.26 174.92 3hww s PRO 173 N -3.74 3.05 -0.41 4.30 0.04 -1.26 -4.95 135.00 132.04 3hww s PRO 173 Ca 0.44 0.35 0.04 0.00 0.04 0.00 0.00 61.00 61.87 3hww s PRO 173 Cb -0.10 -2.13 0.46 0.00 0.04 0.00 0.00 34.50 32.76 3hww s PRO 173 CO 0.32 -0.79 1.46 1.28 0.04 0.00 0.00 177.00 179.30 3hww n LEU 174 N -2.78 5.77 -1.63 -3.56 4.77 -1.26 -3.82 117.00 114.49 3hww n LEU 174 Ca 0.06 -4.59 -0.02 0.00 -0.03 0.00 0.00 56.01 51.42 3hww n LEU 174 Cb 0.57 -0.54 0.01 0.00 -2.33 0.00 0.00 43.42 41.12 3hww n LEU 174 CO 0.56 1.90 0.01 -1.84 -1.33 0.00 0.00 177.39 176.68 3hww n GLU 177 N -0.78 -0.36 -0.43 3.23 0.28 -1.26 -4.90 120.64 116.42 3hww n GLU 177 Ca 0.50 0.10 -0.28 0.00 -0.16 0.00 0.00 57.16 57.32 3hww n GLU 177 Cb 0.88 -2.17 -0.06 0.00 1.43 0.00 0.00 31.44 31.51 3hww n GLU 177 CO 0.00 0.00 0.00 -1.33 -0.16 0.00 0.00 177.13 175.64 3hww n MET 178 N -1.65 0.35 0.00 3.44 2.81 -1.26 -4.62 117.12 116.20 3hww n MET 178 Ca -0.01 -0.97 0.00 0.00 -1.81 0.00 0.00 57.70 54.91 3hww n MET 178 Cb 0.52 -2.38 0.00 0.00 -0.71 0.00 0.00 33.22 30.65 3hww n MET 178 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3hww n ASP 179 N 7.06 -1.79 -1.49 7.83 -0.08 -1.26 -4.97 116.55 121.85 3hww n ASP 179 Ca 0.31 -0.05 0.09 0.00 -1.51 0.00 0.00 54.79 53.63 3hww n ASP 179 Cb 0.25 0.00 0.34 0.00 2.34 0.00 0.00 41.12 44.05 3hww n ASP 179 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 3hww n ASP 180 N -2.84 4.69 -0.23 1.67 8.00 -1.26 -4.95 116.55 121.63 3hww n ASP 180 Ca 0.00 -2.55 -0.06 0.00 0.71 0.00 0.00 54.79 52.89 3hww n ASP 180 Cb 0.00 -0.57 -0.01 0.00 -0.02 0.00 0.00 41.12 40.52 3hww n ASP 180 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3hww h THR 181 N 3.68 0.11 -0.49 -3.53 2.02 -1.90 -2.03 112.91 110.76 3hww h THR 181 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 3hww h THR 181 Cb 1.48 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 3hww h THR 181 CO 0.25 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.75 3hww n GLY 182 N -1.42 3.20 0.39 2.16 0.00 -1.26 -4.67 105.19 103.59 3hww n GLY 182 Ca 0.04 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 45.03 3hww n GLY 182 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3hww h LEU 183 N 3.28 -1.23 -1.53 0.99 5.85 -1.74 -1.50 115.31 119.42 3hww h LEU 183 Ca 0.00 0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 3hww h LEU 183 Cb 1.58 0.49 -0.01 0.00 0.37 0.00 0.00 40.66 43.09 3hww h LEU 183 CO 0.30 -0.44 -0.24 0.77 -0.34 0.00 0.00 178.44 178.49 3hww h SER 184 N -0.54 0.00 -0.10 1.25 4.64 -1.83 -1.42 113.55 115.54 3hww h SER 184 Ca 0.06 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.41 3hww h SER 184 Cb 0.63 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.69 3hww h SER 184 CO -0.32 0.24 -0.10 -0.25 -0.87 0.00 0.00 176.83 175.53 3hww h TRP 185 N 0.00 -0.23 -0.22 4.77 7.01 -1.75 -2.54 115.95 122.99 3hww h TRP 185 Ca -0.00 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.02 3hww h TRP 185 Cb 0.43 0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 27.60 3hww h TRP 185 CO 0.00 -0.15 0.13 1.96 -2.79 0.00 0.00 178.44 177.59 3hww h GLN 186 N -0.12 0.26 0.00 2.65 4.20 -0.34 -2.89 115.11 118.87 3hww h GLN 186 Ca 0.07 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.77 3hww h GLN 186 Cb 0.22 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.94 3hww h GLN 186 CO -0.17 0.17 0.10 1.96 -0.67 0.00 0.00 178.83 180.22 3hww h GLN 187 N 0.26 0.00 0.00 1.46 4.20 -1.17 -1.03 115.11 118.83 3hww h GLN 187 Ca 0.08 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.79 3hww h GLN 187 Cb -0.01 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.77 3hww h GLN 187 CO -0.04 0.00 0.00 0.54 -0.67 0.00 0.00 178.83 178.66 3hww n ARG 188 N -2.40 0.13 0.00 1.46 5.12 -0.97 -1.07 116.66 118.93 3hww n ARG 188 Ca -0.02 0.56 0.14 0.00 -1.93 0.00 0.00 57.85 56.60 3hww n ARG 188 Cb 0.14 -1.85 0.75 0.00 -1.16 0.00 0.00 32.46 30.33 3hww n ARG 188 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3hww n LEU 189 N -2.11 0.00 0.00 0.55 4.77 -0.39 -4.98 117.00 114.84 3hww n LEU 189 Ca -0.00 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 3hww n LEU 189 Cb 0.08 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 3hww n LEU 189 CO 0.11 -0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.76 3hww n GLY 190 N 1.15 3.02 0.62 -0.72 0.00 -0.23 -1.93 105.19 107.10 3hww n GLY 190 Ca 0.15 0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.28 3hww n GLY 190 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hww n ASP 191 N 3.20 1.82 -0.33 1.61 5.68 -1.26 -3.26 116.55 124.01 3hww n ASP 191 Ca 0.00 -1.86 0.14 0.00 -0.50 0.00 0.00 54.79 52.57 3hww n ASP 191 Cb 0.00 -0.18 0.36 0.00 -1.14 0.00 0.00 41.12 40.16 3hww n ASP 191 CO 0.00 0.00 0.00 -0.25 -1.33 0.00 0.00 177.20 175.62 3hww h TRP 192 N 2.18 0.97 -0.05 2.11 7.01 -1.79 0.85 115.95 127.24 3hww h TRP 192 Ca 0.00 0.03 0.01 0.00 2.11 0.00 0.00 58.89 61.05 3hww h TRP 192 Cb 0.49 -0.29 -0.00 0.00 -2.10 0.00 0.00 29.16 27.25 3hww h TRP 192 CO 0.18 0.22 0.10 -1.49 -2.79 0.00 0.00 178.44 174.66 3hww h TRP 193 N 0.70 0.00 -0.13 2.65 4.06 -1.76 0.18 115.95 121.65 3hww h TRP 193 Ca 0.56 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.51 3hww h TRP 193 Cb 0.95 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.11 3hww h TRP 193 CO -0.00 0.00 0.00 1.04 -3.56 0.00 0.00 178.44 175.92 3hww n GLN 194 N -3.43 1.66 -2.24 0.49 3.00 0.21 -4.99 117.38 112.07 3hww n GLN 194 Ca -0.02 -1.68 -0.25 0.00 -0.01 0.00 0.00 57.00 55.04 3hww n GLN 194 Cb 0.19 -1.34 0.06 0.00 0.00 0.00 0.00 30.24 29.15 3hww n GLN 194 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 3hww s ASP 195 N -1.32 4.88 -0.02 1.08 2.15 0.62 -5.03 116.67 119.03 3hww s ASP 195 Ca 0.23 0.42 0.09 0.00 0.43 0.00 0.00 52.55 53.72 3hww s ASP 195 Cb 0.15 -1.10 0.26 0.00 -0.30 0.00 0.00 42.92 41.93 3hww s ASP 195 CO 0.22 -1.54 1.21 -0.90 -0.17 0.00 0.00 175.17 173.99 3hww n ASP 196 N -2.86 2.80 -4.56 -0.34 3.85 -1.26 -5.02 116.55 109.16 3hww n ASP 196 Ca 0.08 -2.11 -0.26 0.00 -0.71 0.00 0.00 54.79 51.79 3hww n ASP 196 Cb 0.60 -0.21 -0.11 0.00 -1.35 0.00 0.00 41.12 40.05 3hww n ASP 196 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 3hww s LYS 197 N -1.19 1.85 0.86 0.11 1.02 -1.26 -4.86 119.74 116.27 3hww s LYS 197 Ca 0.20 -2.03 -0.11 0.00 0.02 0.00 0.00 55.97 54.06 3hww s LYS 197 Cb 0.12 -1.41 0.12 0.00 -0.52 0.00 0.00 37.83 36.14 3hww s LYS 197 CO 0.12 -0.07 1.14 -2.14 -0.92 0.00 0.00 175.35 173.48 3hww s PRO 198 N -3.75 1.41 0.05 -1.68 0.02 -1.26 -4.90 135.00 124.88 3hww s PRO 198 Ca 0.35 1.49 -0.33 0.00 0.02 0.00 0.00 61.00 62.53 3hww s PRO 198 Cb 0.09 -1.78 -0.19 0.00 0.02 0.00 0.00 34.50 32.65 3hww s PRO 198 CO 0.17 -2.33 1.45 2.35 -0.33 0.00 0.00 177.00 178.31 3hww h TRP 199 N -1.54 -1.01 -3.35 6.54 2.91 -1.96 -3.42 115.95 114.12 3hww h TRP 199 Ca -0.44 -0.02 -0.63 0.00 1.13 0.00 0.00 58.89 58.93 3hww h TRP 199 Cb 1.26 0.34 -0.18 0.00 -0.51 0.00 0.00 29.16 30.06 3hww h TRP 199 CO 0.52 -0.62 -0.60 -1.17 -1.03 0.00 0.00 178.44 175.54 3hww s LEU 200 N -9.87 3.62 -0.37 0.65 2.96 -1.26 -5.07 118.68 109.33 3hww s LEU 200 Ca -0.18 -0.01 -0.09 0.00 -0.22 0.00 0.00 54.13 53.63 3hww s LEU 200 Cb 0.02 -1.91 0.04 0.00 0.50 0.00 0.00 46.19 44.84 3hww s LEU 200 CO 0.56 0.14 0.17 -0.13 -1.32 0.00 0.00 176.35 175.77 3hww s ARG 201 N 0.55 2.68 -0.23 1.98 0.52 -1.26 -4.77 118.95 118.42 3hww s ARG 201 Ca 0.02 -1.21 -0.01 0.00 -0.52 0.00 0.00 55.73 54.01 3hww s ARG 201 Cb -0.13 -3.63 0.07 0.00 0.52 0.00 0.00 34.95 31.78 3hww s ARG 201 CO 0.02 -0.74 0.00 -2.00 0.02 0.00 0.00 175.30 172.60 3hww s GLU 202 N 1.46 1.11 -0.38 3.54 2.12 -1.26 -5.04 118.70 120.25 3hww s GLU 202 Ca 0.01 -0.79 0.12 0.00 0.36 0.00 0.00 54.97 54.66 3hww s GLU 202 Cb -0.20 -2.34 0.36 0.00 0.26 0.00 0.00 34.13 32.21 3hww s GLU 202 CO 0.04 -0.67 0.87 0.00 -0.54 0.00 0.00 175.26 174.95 3hww n ALA 203 N 4.84 1.66 -1.76 6.30 0.00 -1.26 -3.28 120.51 127.00 3hww n ALA 203 Ca -0.09 -2.90 -0.38 0.00 0.00 0.00 0.00 53.44 50.07 3hww n ALA 203 Cb 0.45 -0.98 0.02 0.00 0.00 0.00 0.00 19.45 18.94 3hww n ALA 203 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hww s PRO 204 N -1.91 3.49 -0.03 0.00 0.04 -1.26 -5.00 135.00 130.33 3hww s PRO 204 Ca 0.34 2.08 -0.19 0.00 0.04 0.00 0.00 61.00 63.27 3hww s PRO 204 Cb 0.36 -2.39 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 3hww s PRO 204 CO -0.06 -0.86 0.52 1.03 0.04 0.00 0.00 177.00 177.67 3hww s ARG 205 N -2.73 4.24 -0.26 4.56 0.52 -1.26 -4.94 118.95 119.09 3hww s ARG 205 Ca 0.66 0.59 -0.09 0.00 -0.52 0.00 0.00 55.73 56.38 3hww s ARG 205 Cb -0.36 -3.34 -0.04 0.00 0.52 0.00 0.00 34.95 31.73 3hww s ARG 205 CO 0.44 0.38 0.12 -1.17 0.02 0.00 0.00 175.30 175.09 3hww s LEU 206 N -0.17 3.69 -0.28 2.53 2.96 -1.26 -5.09 118.68 121.06 3hww s LEU 206 Ca 0.28 -0.11 -0.25 0.00 -0.22 0.00 0.00 54.13 53.83 3hww s LEU 206 Cb -0.17 -2.00 0.10 0.00 0.50 0.00 0.00 46.19 44.62 3hww s LEU 206 CO 0.15 -0.03 0.92 -0.70 -1.32 0.00 0.00 176.35 175.36 3hww s GLU 207 N 1.60 0.62 0.46 1.98 2.12 -1.26 -4.83 118.70 119.40 3hww s GLU 207 Ca 0.06 0.75 -0.21 0.00 0.36 0.00 0.00 54.97 55.94 3hww s GLU 207 Cb -0.15 0.30 -0.09 0.00 0.26 0.00 0.00 34.13 34.44 3hww s GLU 207 CO 0.06 -0.08 1.03 -1.12 -0.54 0.00 0.00 175.26 174.62 3hww s SER 208 N 0.34 6.49 0.78 -1.70 0.01 -0.66 -4.98 113.70 113.98 3hww s SER 208 Ca 0.02 1.92 -0.11 0.00 1.31 0.00 0.00 55.95 59.08 3hww s SER 208 Cb -0.05 -2.56 0.06 0.00 0.21 0.00 0.00 66.02 63.68 3hww s SER 208 CO -0.04 -0.68 1.09 -1.61 0.41 0.00 0.00 173.24 172.41 3hww s GLU 209 N -3.10 2.19 0.25 12.44 2.02 -1.26 -4.92 118.70 126.32 3hww s GLU 209 Ca 0.65 0.66 -0.31 0.00 0.02 0.00 0.00 54.97 55.99 3hww s GLU 209 Cb -0.16 -1.93 -0.12 0.00 0.10 0.00 0.00 34.13 32.01 3hww s GLU 209 CO 0.20 -1.55 1.58 1.17 0.02 0.00 0.00 175.26 176.68 3hww n LYS 210 N -3.39 2.50 -2.58 1.61 4.81 -1.26 -4.92 118.16 114.93 3hww n LYS 210 Ca 0.07 0.89 -0.43 0.00 -0.87 0.00 0.00 58.31 57.98 3hww n LYS 210 Cb 0.56 -2.66 -0.02 0.00 0.02 0.00 0.00 35.03 32.93 3hww n LYS 210 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 3hww s GLN 211 N -0.01 3.69 0.62 1.64 -1.52 -1.26 -4.89 119.66 117.92 3hww s GLN 211 Ca 0.69 0.55 0.35 0.00 -1.95 0.00 0.00 55.36 55.00 3hww s GLN 211 Cb -0.55 -3.93 2.05 0.00 -0.22 0.00 0.00 33.01 30.36 3hww s GLN 211 CO 0.45 -1.43 2.30 0.00 -0.25 0.00 0.00 175.29 176.36 3hww h ARG 212 N 9.36 0.00 -0.86 2.91 3.08 -2.00 -2.42 114.38 124.44 3hww h ARG 212 Ca -0.23 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.50 3hww h ARG 212 Cb 1.06 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 30.93 3hww h ARG 212 CO 1.13 0.00 0.40 -0.40 -1.07 0.00 0.00 179.97 180.03 3hww n ASP 213 N -3.55 4.33 -0.05 7.04 5.75 -1.26 -4.59 116.55 124.22 3hww n ASP 213 Ca -0.03 -3.28 -0.09 0.00 -0.01 0.00 0.00 54.79 51.38 3hww n ASP 213 Cb 0.08 -0.77 0.06 0.00 -1.03 0.00 0.00 41.12 39.46 3hww n ASP 213 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 3hww h TRP 214 N 1.93 0.84 -0.46 2.11 2.91 -1.85 -2.23 115.95 119.20 3hww h TRP 214 Ca 0.39 -0.25 0.01 0.00 1.13 0.00 0.00 58.89 60.17 3hww h TRP 214 Cb 2.45 -0.18 -0.02 0.00 -0.51 0.00 0.00 29.16 30.90 3hww h TRP 214 CO 1.33 0.99 0.31 0.74 -1.03 0.00 0.00 178.44 180.78 3hww h PHE 215 N 0.57 0.55 0.03 2.65 -1.00 -1.85 0.34 116.94 118.22 3hww h PHE 215 Ca 0.05 0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.84 3hww h PHE 215 Cb 0.95 -0.19 0.00 0.00 3.61 0.00 0.00 35.95 40.32 3hww h PHE 215 CO 0.05 0.34 -0.01 0.35 -1.61 0.00 0.00 178.31 177.42 3hww h PHE 216 N 0.59 -0.04 -0.00 -0.55 3.57 -1.85 -3.37 116.94 115.30 3hww h PHE 216 Ca 0.17 -0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.51 3hww h PHE 216 Cb -0.02 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.71 3hww h PHE 216 CO -0.00 0.35 -0.77 -1.49 -2.23 0.00 0.00 178.31 174.17 3hww h TRP 217 N -0.43 0.03 0.00 0.41 4.06 -0.54 -2.96 115.95 116.52 3hww h TRP 217 Ca -0.00 -0.01 0.00 0.00 2.06 0.00 0.00 58.89 60.93 3hww h TRP 217 Cb 0.40 -0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.56 3hww h TRP 217 CO 0.06 0.78 0.00 2.89 -3.56 0.00 0.00 178.44 178.61 3hww n ARG 218 N -3.64 0.36 0.00 0.49 1.85 0.10 -0.70 116.66 115.12 3hww n ARG 218 Ca -0.01 0.08 0.08 0.00 -1.00 0.00 0.00 57.85 57.00 3hww n ARG 218 Cb 0.74 -1.50 0.05 0.00 -1.05 0.00 0.00 32.46 30.70 3hww n ARG 218 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 3hww n GLN 219 N -1.20 1.43 -1.16 2.89 6.02 -1.12 -4.90 117.38 119.35 3hww n GLN 219 Ca 0.10 -1.31 -0.18 0.00 -0.01 0.00 0.00 57.00 55.61 3hww n GLN 219 Cb 0.12 -1.31 0.12 0.00 1.02 0.00 0.00 30.24 30.20 3hww n GLN 219 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3hww n LYS 220 N 0.65 -0.78 -2.86 -1.09 4.76 0.12 -4.96 118.16 113.99 3hww n LYS 220 Ca 0.09 -1.25 -0.43 0.00 -2.87 0.00 0.00 58.31 53.85 3hww n LYS 220 Cb 0.40 -0.83 -0.04 0.00 -1.84 0.00 0.00 35.03 32.72 3hww n LYS 220 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3hww s ARG 221 N -4.76 3.11 0.22 1.97 0.52 -1.26 -5.00 118.95 113.75 3hww s ARG 221 Ca 0.46 -0.84 0.06 0.00 -0.52 0.00 0.00 55.73 54.89 3hww s ARG 221 Cb -0.01 -4.23 -0.04 0.00 0.52 0.00 0.00 34.95 31.20 3hww s ARG 221 CO 0.32 -1.81 0.22 0.20 0.02 0.00 0.00 175.30 174.25 3hww s GLY 222 N 3.67 1.46 -0.05 -3.53 0.00 -1.26 0.15 107.32 107.76 3hww s GLY 222 Ca 0.22 -1.32 0.05 0.00 0.00 0.00 0.00 44.72 43.67 3hww s GLY 222 CO 0.10 -1.34 -0.19 0.14 0.00 0.00 0.00 173.10 171.80 3hww s VAL 223 N -2.00 1.63 -0.19 1.40 1.01 -0.19 -4.32 120.40 117.74 3hww s VAL 223 Ca 0.33 -0.82 -0.08 0.00 0.00 0.00 0.00 61.98 61.41 3hww s VAL 223 Cb -0.09 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 3hww s VAL 223 CO 0.26 0.46 0.07 -0.69 0.00 0.00 0.00 175.10 175.20 3hww s VAL 224 N 0.05 4.76 -0.17 2.92 1.01 -0.15 -1.15 120.40 127.67 3hww s VAL 224 Ca -0.06 -0.04 0.01 0.00 0.00 0.00 0.00 61.98 61.89 3hww s VAL 224 Cb -0.13 -3.16 0.01 0.00 0.00 0.00 0.00 36.38 33.10 3hww s VAL 224 CO 0.03 0.44 -0.17 -0.69 0.00 0.00 0.00 175.10 174.71 3hww s VAL 225 N 0.54 2.35 -0.25 2.92 1.01 -0.29 -0.44 120.40 126.24 3hww s VAL 225 Ca 0.03 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.13 3hww s VAL 225 Cb -0.13 -1.99 0.02 0.00 0.00 0.00 0.00 36.38 34.28 3hww s VAL 225 CO 0.01 0.52 -0.04 0.00 0.00 0.00 0.00 175.10 175.59 3hww s ALA 226 N 1.13 2.75 0.04 5.51 0.00 0.23 -0.28 121.76 131.14 3hww s ALA 226 Ca 0.01 -1.44 0.00 0.00 0.00 0.00 0.00 51.96 50.53 3hww s ALA 226 Cb -0.14 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.24 3hww s ALA 226 CO -0.07 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.31 3hww n GLY 227 N 4.70 1.85 3.69 0.00 0.00 -0.27 -0.81 105.19 114.35 3hww n GLY 227 Ca -0.16 -1.93 -0.44 0.00 0.00 0.00 0.00 46.02 43.48 3hww n GLY 227 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3hww n ARG 228 N 0.00 2.57 -3.85 1.61 0.63 -0.34 -4.04 116.66 113.24 3hww n ARG 228 Ca 0.00 0.93 -0.09 0.00 -0.92 0.00 0.00 57.85 57.77 3hww n ARG 228 Cb 0.00 -2.79 0.01 0.00 0.45 0.00 0.00 32.46 30.13 3hww n ARG 228 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3hww s MET 229 N 2.29 2.15 0.78 -0.14 0.23 -1.25 -3.99 119.30 119.38 3hww s MET 229 Ca 0.82 -1.43 -0.11 0.00 -1.03 0.00 0.00 55.69 53.93 3hww s MET 229 Cb -0.56 0.60 0.06 0.00 -1.53 0.00 0.00 34.83 33.41 3hww s MET 229 CO 0.39 -0.99 1.09 -1.54 -2.03 0.00 0.00 175.02 171.93 3hww s SER 230 N -3.08 4.57 0.24 -1.18 1.04 -1.26 -4.82 113.70 109.22 3hww s SER 230 Ca 0.17 1.44 -0.06 0.00 0.48 0.00 0.00 55.95 57.98 3hww s SER 230 Cb -0.05 -2.20 0.32 0.00 0.10 0.00 0.00 66.02 64.19 3hww s SER 230 CO 0.12 -1.94 1.86 0.00 0.98 0.00 0.00 173.24 174.26 3hww h ALA 231 N -1.06 1.18 -0.86 5.32 0.00 -1.89 -0.29 119.26 121.65 3hww h ALA 231 Ca -0.46 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 3hww h ALA 231 Cb 1.25 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 3hww h ALA 231 CO 0.57 0.32 0.50 0.93 0.00 0.00 0.00 179.25 181.58 3hww h GLU 232 N 1.02 1.18 -0.20 0.00 4.39 -1.93 -2.80 114.58 116.23 3hww h GLU 232 Ca 0.37 -0.12 -0.17 0.00 0.34 0.00 0.00 59.36 59.78 3hww h GLU 232 Cb 0.12 -0.24 -0.00 0.00 -0.10 0.00 0.00 28.75 28.53 3hww h GLU 232 CO -0.16 0.84 -0.57 0.93 -1.16 0.00 0.00 179.01 178.90 3hww h GLU 233 N 1.19 0.64 -0.53 2.33 5.08 -1.79 -1.77 114.58 119.74 3hww h GLU 233 Ca 0.31 -0.42 0.10 0.00 -1.00 0.00 0.00 59.36 58.35 3hww h GLU 233 Cb -0.02 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.20 3hww h GLU 233 CO -0.05 1.04 0.06 0.78 -1.00 0.00 0.00 179.01 179.84 3hww h GLY 234 N 0.95 0.62 1.49 -3.84 0.00 -0.90 0.04 103.07 101.43 3hww h GLY 234 Ca 0.00 0.01 -0.14 0.00 0.00 0.00 0.00 47.33 47.21 3hww h GLY 234 CO 0.11 -0.12 -0.45 0.50 0.00 0.00 0.00 176.54 176.59 3hww h LYS 235 N 0.19 0.55 -0.46 4.80 1.57 -1.15 -2.71 116.57 119.36 3hww h LYS 235 Ca 0.27 -0.30 -0.13 0.00 -1.87 0.00 0.00 60.65 58.62 3hww h LYS 235 Cb 0.40 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3hww h LYS 235 CO -0.39 0.89 -0.22 0.87 -0.57 0.00 0.00 179.45 180.03 3hww h LYS 236 N 0.45 0.96 -0.76 3.15 1.57 -0.79 -2.56 116.57 118.58 3hww h LYS 236 Ca 0.03 -0.42 -0.06 0.00 -1.87 0.00 0.00 60.65 58.34 3hww h LYS 236 Cb 0.96 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.21 3hww h LYS 236 CO 0.09 1.08 0.25 0.28 -0.57 0.00 0.00 179.45 180.58 3hww h VAL 237 N 0.80 1.26 -0.66 0.50 2.07 -0.99 -0.40 116.25 118.83 3hww h VAL 237 Ca 0.10 -0.90 0.06 0.00 0.82 0.00 0.00 66.70 66.79 3hww h VAL 237 Cb 0.80 0.40 -0.06 0.00 -1.52 0.00 0.00 31.29 30.91 3hww h VAL 237 CO 0.07 0.36 0.36 0.00 0.02 0.00 0.00 177.57 178.37 3hww h ALA 238 N 1.14 0.88 0.21 1.67 0.00 -1.38 0.18 119.26 121.96 3hww h ALA 238 Ca 0.25 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3hww h ALA 238 Cb 0.29 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3hww h ALA 238 CO -0.01 0.02 -0.10 1.25 0.00 0.00 0.00 179.25 180.41 3hww h LEU 239 N 0.65 -0.24 -0.39 0.00 7.12 -1.03 -2.33 115.31 119.09 3hww h LEU 239 Ca 0.30 -0.26 0.08 0.00 0.13 0.00 0.00 57.88 58.13 3hww h LEU 239 Cb 0.21 0.06 -0.08 0.00 -0.53 0.00 0.00 40.66 40.33 3hww h LEU 239 CO -0.20 0.17 -0.12 -0.25 -0.13 0.00 0.00 178.44 177.91 3hww h TRP 240 N -0.68 -0.26 -0.45 1.25 7.01 -1.02 -0.19 115.95 121.61 3hww h TRP 240 Ca -0.03 0.04 -0.02 0.00 2.11 0.00 0.00 58.89 60.99 3hww h TRP 240 Cb 0.48 0.17 -0.02 0.00 -2.10 0.00 0.00 29.16 27.69 3hww h TRP 240 CO 0.04 -0.19 0.20 0.00 -2.79 0.00 0.00 178.44 175.71 3hww h ALA 241 N 1.35 1.51 -0.11 2.65 0.00 -0.63 -2.22 119.26 121.82 3hww h ALA 241 Ca 0.19 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3hww h ALA 241 Cb 0.31 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3hww h ALA 241 CO -0.42 0.39 -0.10 0.37 0.00 0.00 0.00 179.25 179.49 3hww h GLN 242 N 0.63 0.26 -0.96 0.00 4.15 -0.82 -2.18 115.11 116.20 3hww h GLN 242 Ca 0.16 -0.14 0.06 0.00 0.77 0.00 0.00 58.65 59.50 3hww h GLN 242 Cb 0.09 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.72 3hww h GLN 242 CO -0.02 0.67 0.62 1.15 -1.93 0.00 0.00 178.83 179.32 3hww h THR 243 N -0.14 1.09 0.00 2.39 2.02 -0.79 -1.47 112.91 116.02 3hww h THR 243 Ca 0.02 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.81 3hww h THR 243 Cb 0.62 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.90 3hww h THR 243 CO 0.03 0.21 0.00 -0.07 0.37 0.00 0.00 175.52 176.05 3hww h LEU 244 N 1.13 0.00 0.03 2.58 3.38 -1.32 -1.73 115.31 119.38 3hww h LEU 244 Ca 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.37 3hww h LEU 244 Cb 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 3hww h LEU 244 CO -0.15 0.00 -0.01 0.61 0.09 0.00 0.00 178.44 178.98 3hww n GLY 245 N 0.80 0.40 3.70 0.83 0.00 -0.55 -4.56 105.19 105.81 3hww n GLY 245 Ca 0.04 -1.03 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 3hww n GLY 245 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3hww s TRP 246 N -2.02 3.14 0.52 1.61 0.52 -0.85 -2.48 118.94 119.38 3hww s TRP 246 Ca 0.00 0.15 -0.21 0.00 0.02 0.00 0.00 56.10 56.06 3hww s TRP 246 Cb 0.00 -1.73 -0.06 0.00 -1.15 0.00 0.00 33.47 30.53 3hww s TRP 246 CO 0.00 0.48 1.19 -1.25 0.02 0.00 0.00 176.95 177.39 3hww s PRO 247 N -1.32 3.43 -0.24 4.98 0.04 -1.26 -4.54 135.00 136.09 3hww s PRO 247 Ca 0.18 1.80 0.02 0.00 0.04 0.00 0.00 61.00 63.03 3hww s PRO 247 Cb -0.12 -2.19 0.05 0.00 0.04 0.00 0.00 34.50 32.29 3hww s PRO 247 CO 0.08 -0.83 -0.11 -1.17 0.04 0.00 0.00 177.00 175.00 3hww s LEU 248 N -3.49 2.98 -0.46 -3.56 2.96 -1.26 -0.98 118.68 114.87 3hww s LEU 248 Ca 0.70 -1.20 -0.19 0.00 -0.22 0.00 0.00 54.13 53.22 3hww s LEU 248 Cb -0.29 -1.44 0.04 0.00 0.50 0.00 0.00 46.19 45.00 3hww s LEU 248 CO 0.34 -0.17 0.58 -0.63 -1.32 0.00 0.00 176.35 175.15 3hww s ILE 249 N 1.21 4.92 -0.29 6.68 1.01 0.42 -4.36 121.20 130.78 3hww s ILE 249 Ca -0.06 -0.28 -0.10 0.00 0.00 0.00 0.00 60.65 60.21 3hww s ILE 249 Cb -0.18 -4.20 -0.03 0.00 0.01 0.00 0.00 42.46 38.05 3hww s ILE 249 CO -0.07 -0.65 0.16 -0.83 0.00 0.00 0.00 174.94 173.56 3hww s GLY 250 N 2.26 1.89 0.81 6.18 0.00 -1.26 -0.61 107.32 116.59 3hww s GLY 250 Ca 0.16 -1.20 -0.11 0.00 0.00 0.00 0.00 44.72 43.58 3hww s GLY 250 CO 0.14 0.65 1.11 -0.35 0.00 0.00 0.00 173.10 174.66 3hww s ASP 251 N 1.69 4.05 0.54 1.64 2.15 0.01 -4.80 116.67 121.97 3hww s ASP 251 Ca 0.06 1.94 0.30 0.00 0.43 0.00 0.00 52.55 55.29 3hww s ASP 251 Cb -0.16 -2.54 1.47 0.00 -0.30 0.00 0.00 42.92 41.39 3hww s ASP 251 CO 0.08 -2.34 1.91 0.58 -0.17 0.00 0.00 175.17 175.23 3hww h VAL 252 N -1.30 0.55 -0.01 1.11 2.07 -1.89 -0.20 116.25 116.58 3hww h VAL 252 Ca -0.44 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.08 3hww h VAL 252 Cb 1.24 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 3hww h VAL 252 CO 0.48 0.00 -0.02 0.18 0.02 0.00 0.00 177.57 178.24 3hww n LEU 253 N -4.20 1.00 0.06 2.57 4.77 -1.26 -4.31 117.00 115.63 3hww n LEU 253 Ca 0.16 -0.32 -0.03 0.00 -0.03 0.00 0.00 56.01 55.78 3hww n LEU 253 Cb 0.86 -0.02 -0.08 0.00 -2.33 0.00 0.00 43.42 41.86 3hww n LEU 253 CO 0.37 0.17 0.00 0.77 -1.33 0.00 0.00 177.39 177.37 3hww h SER 254 N 1.55 0.00 -4.31 -1.43 4.64 -1.16 -3.31 113.55 109.52 3hww h SER 254 Ca 0.00 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 60.97 3hww h SER 254 Cb 0.36 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 3hww h SER 254 CO 0.00 0.79 -0.49 0.00 -0.87 0.00 0.00 176.83 176.26 3hww n GLN 255 N -3.16 -3.15 0.02 4.77 6.02 -1.26 -3.86 117.38 116.77 3hww n GLN 255 Ca -0.05 0.71 0.12 0.00 -0.01 0.00 0.00 57.00 57.77 3hww n GLN 255 Cb 0.89 -5.41 0.29 0.00 1.02 0.00 0.00 30.24 27.03 3hww n GLN 255 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3hww n THR 256 N -3.92 0.14 -0.28 5.09 -2.24 -1.26 -0.57 114.28 111.24 3hww n THR 256 Ca -0.12 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 3hww n THR 256 Cb 0.61 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 3hww n THR 256 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hww n GLY 257 N 1.44 0.73 3.95 3.38 0.00 -1.25 -4.53 105.19 108.90 3hww n GLY 257 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3hww n GLY 257 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hww n GLN 258 N -2.00 -0.60 0.28 1.61 6.02 -1.26 -4.65 117.38 116.78 3hww n GLN 258 Ca 0.00 0.25 0.14 0.00 -0.01 0.00 0.00 57.00 57.38 3hww n GLN 258 Cb 0.00 -2.84 0.77 0.00 1.02 0.00 0.00 30.24 29.19 3hww n GLN 258 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 3hww h PRO 259 N -2.17 0.00 -2.19 -1.09 0.13 -1.85 -2.09 132.00 122.73 3hww h PRO 259 Ca -0.69 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 63.85 3hww h PRO 259 Cb 1.39 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 32.10 3hww h PRO 259 CO 0.49 0.00 -0.65 1.28 -0.23 0.00 0.00 178.00 178.89 3hww n LEU 260 N -2.67 3.63 -4.44 1.56 4.77 -1.26 -5.01 117.00 113.58 3hww n LEU 260 Ca -0.02 -5.44 -0.29 0.00 -0.03 0.00 0.00 56.01 50.23 3hww n LEU 260 Cb 0.27 -0.53 0.25 0.00 -2.33 0.00 0.00 43.42 41.08 3hww n LEU 260 CO 0.12 2.13 0.38 -0.81 -1.33 0.00 0.00 177.39 177.89 3hww n PRO 261 N 0.63 -2.46 -3.54 3.23 -0.04 -0.79 -3.77 135.00 128.27 3hww n PRO 261 Ca 0.30 -0.69 -0.26 0.00 -0.04 0.00 0.00 63.50 62.81 3hww n PRO 261 Cb 0.42 -2.11 0.01 0.00 -0.04 0.00 0.00 33.50 31.77 3hww n PRO 261 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hww h ALA 263 N 0.97 2.24 0.00 0.00 0.00 -1.84 0.35 119.26 120.98 3hww h ALA 263 Ca -0.49 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3hww h ALA 263 Cb 1.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3hww h ALA 263 CO 0.60 -0.52 0.00 -3.47 0.00 0.00 0.00 179.25 175.85 3hww n ASP 264 N -4.50 0.54 -0.07 0.00 2.03 -1.26 -1.10 116.55 112.19 3hww n ASP 264 Ca 0.19 0.68 -0.07 0.00 0.52 0.00 0.00 54.79 56.11 3hww n ASP 264 Cb 0.71 -0.78 -0.02 0.00 -0.72 0.00 0.00 41.12 40.31 3hww n ASP 264 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3hww n LEU 265 N -2.15 1.62 0.15 -2.67 4.77 0.12 -4.58 117.00 114.25 3hww n LEU 265 Ca 0.01 0.34 0.11 0.00 -0.03 0.00 0.00 56.01 56.44 3hww n LEU 265 Cb 0.14 -0.73 0.56 0.00 -2.33 0.00 0.00 43.42 41.06 3hww n LEU 265 CO 0.14 -0.34 0.82 -2.67 -1.33 0.00 0.00 177.39 174.02 3hww n TRP 266 N -4.18 0.72 0.37 -1.77 4.27 -0.67 -0.24 117.44 115.95 3hww n TRP 266 Ca -0.11 0.36 0.14 0.00 -3.89 0.00 0.00 57.50 54.01 3hww n TRP 266 Cb 0.40 -1.08 0.48 0.00 -1.36 0.00 0.00 31.31 29.74 3hww n TRP 266 CO 0.00 0.00 0.00 -0.07 -2.29 0.00 0.00 177.69 175.33 3hww h LEU 267 N 0.00 0.00 -1.29 5.67 3.38 -1.35 -2.97 115.31 118.74 3hww h LEU 267 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hww h LEU 267 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3hww h LEU 267 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3hww n GLY 268 N 0.47 0.54 3.73 0.83 0.00 0.67 -4.70 105.19 106.73 3hww n GLY 268 Ca 0.03 -0.45 -0.36 0.00 0.00 0.00 0.00 46.02 45.24 3hww n GLY 268 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3hww s ASN 269 N -1.42 6.30 0.46 1.61 3.84 -1.12 -4.64 114.94 119.97 3hww s ASN 269 Ca 0.31 0.34 0.18 0.00 0.21 0.00 0.00 52.86 53.91 3hww s ASN 269 Cb 0.17 -2.13 1.08 0.00 -0.55 0.00 0.00 41.25 39.83 3hww s ASN 269 CO 0.25 0.15 1.98 0.00 -2.79 0.00 0.00 177.10 176.69 3hww h ALA 270 N 6.64 1.51 -0.49 1.71 0.00 -1.88 -2.39 119.26 124.37 3hww h ALA 270 Ca -0.41 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.24 3hww h ALA 270 Cb 1.16 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 3hww h ALA 270 CO 0.76 0.25 -0.00 0.87 0.00 0.00 0.00 179.25 181.12 3hww h LYS 271 N 0.00 0.81 0.15 0.00 1.57 -1.93 -1.28 116.57 115.90 3hww h LYS 271 Ca -0.00 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.55 3hww h LYS 271 Cb 0.39 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3hww h LYS 271 CO 0.03 0.82 -0.07 0.00 -0.57 0.00 0.00 179.45 179.65 3hww h ALA 272 N 1.24 -0.20 -0.87 3.86 0.00 -1.70 -2.83 119.26 118.75 3hww h ALA 272 Ca 0.15 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3hww h ALA 272 Cb 0.46 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 3hww h ALA 272 CO 0.02 -0.38 0.46 1.79 0.00 0.00 0.00 179.25 181.15 3hww h THR 273 N -0.67 1.26 -0.94 0.00 1.35 -1.44 -0.93 112.91 111.53 3hww h THR 273 Ca -0.02 -0.66 0.01 0.00 -0.55 0.00 0.00 66.41 65.19 3hww h THR 273 Cb 0.49 0.09 -0.05 0.00 -1.73 0.00 0.00 68.15 66.96 3hww h THR 273 CO 0.03 0.29 0.62 -1.28 -0.25 0.00 0.00 175.52 174.93 3hww h SER 274 N 1.23 1.09 -0.38 5.36 0.87 -1.33 0.37 113.55 120.77 3hww h SER 274 Ca 0.31 -0.04 -0.14 0.00 -1.23 0.00 0.00 61.79 60.69 3hww h SER 274 Cb 0.05 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.73 3hww h SER 274 CO -0.05 0.80 -0.30 -0.08 -0.53 0.00 0.00 176.83 176.68 3hww h GLU 275 N 1.28 0.87 -0.37 2.24 4.81 -1.14 -3.06 114.58 119.22 3hww h GLU 275 Ca 0.34 -0.43 -0.04 0.00 -0.13 0.00 0.00 59.36 59.10 3hww h GLU 275 Cb -0.13 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.23 3hww h GLU 275 CO -0.07 1.08 0.06 -0.07 -0.73 0.00 0.00 179.01 179.27 3hww h LEU 276 N 0.68 0.50 -2.01 1.64 3.38 -0.48 -1.92 115.31 117.10 3hww h LEU 276 Ca 0.07 -0.08 0.12 0.00 0.09 0.00 0.00 57.88 58.09 3hww h LEU 276 Cb 0.88 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 3hww h LEU 276 CO 0.08 0.53 0.41 1.56 0.09 0.00 0.00 178.44 181.11 3hww h GLN 277 N 0.53 0.00 0.00 1.13 4.20 -0.17 0.37 115.11 121.18 3hww h GLN 277 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3hww h GLN 277 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 3hww h GLN 277 CO 0.00 0.00 0.00 1.04 -0.67 0.00 0.00 178.83 179.20 3hww n GLN 278 N -3.87 0.14 -1.69 1.46 6.02 -0.72 -4.84 117.38 113.88 3hww n GLN 278 Ca 0.08 0.22 -0.44 0.00 -0.01 0.00 0.00 57.00 56.85 3hww n GLN 278 Cb 0.60 -1.70 -0.03 0.00 1.02 0.00 0.00 30.24 30.13 3hww n GLN 278 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hww n ALA 279 N -1.67 1.91 -0.03 -1.58 0.00 0.13 -4.84 120.51 114.43 3hww n ALA 279 Ca 0.05 0.33 0.02 0.00 0.00 0.00 0.00 53.44 53.84 3hww n ALA 279 Cb 0.31 -2.54 -0.14 0.00 0.00 0.00 0.00 19.45 17.08 3hww n ALA 279 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3hww n GLN 280 N 5.40 0.66 -3.84 0.00 6.02 0.12 -4.28 117.38 121.47 3hww n GLN 280 Ca 0.18 -0.04 -0.12 0.00 -0.01 0.00 0.00 57.00 57.01 3hww n GLN 280 Cb 0.35 -1.59 -0.14 0.00 1.02 0.00 0.00 30.24 29.88 3hww n GLN 280 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 3hww s ILE 281 N -3.05 -0.01 -0.20 5.09 2.07 -1.16 -0.08 121.20 123.86 3hww s ILE 281 Ca -0.07 0.03 -0.03 0.00 -1.41 0.00 0.00 60.65 59.17 3hww s ILE 281 Cb 0.10 -0.09 -0.01 0.00 0.13 0.00 0.00 42.46 42.60 3hww s ILE 281 CO 0.86 0.01 -0.07 -0.69 -1.91 0.00 0.00 174.94 173.14 3hww s VAL 282 N 0.18 3.19 -0.43 4.00 1.01 -0.93 -1.02 120.40 126.41 3hww s VAL 282 Ca -0.01 -0.56 -0.15 0.00 0.00 0.00 0.00 61.98 61.25 3hww s VAL 282 Cb -0.02 -2.42 0.03 0.00 0.00 0.00 0.00 36.38 33.97 3hww s VAL 282 CO -0.01 0.46 0.35 -0.69 0.00 0.00 0.00 175.10 175.21 3hww s VAL 283 N 1.23 5.23 -0.27 2.92 1.01 -0.30 0.26 120.40 130.49 3hww s VAL 283 Ca 0.03 -0.73 -0.17 0.00 0.00 0.00 0.00 61.98 61.11 3hww s VAL 283 Cb -0.14 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 3hww s VAL 283 CO -0.03 -0.40 0.45 -1.58 0.00 0.00 0.00 175.10 173.55 3hww s GLN 284 N 1.74 4.04 -0.25 2.72 0.74 0.25 -1.13 119.66 127.76 3hww s GLN 284 Ca 0.06 0.20 -0.08 0.00 0.05 0.00 0.00 55.36 55.59 3hww s GLN 284 Cb -0.20 -3.65 -0.03 0.00 1.10 0.00 0.00 33.01 30.22 3hww s GLN 284 CO 0.10 -0.32 0.09 -0.51 -0.55 0.00 0.00 175.29 174.09 3hww s LEU 285 N 2.21 3.57 0.00 3.68 2.01 0.62 -0.68 118.68 130.09 3hww s LEU 285 Ca 0.19 -0.15 0.00 0.00 0.01 0.00 0.00 54.13 54.18 3hww s LEU 285 Cb -0.16 -1.96 0.00 0.00 0.01 0.00 0.00 46.19 44.08 3hww s LEU 285 CO 0.09 -0.02 0.00 0.61 1.01 0.00 0.00 176.35 178.05 3hww n GLY 286 N 4.81 -2.44 0.00 -3.19 0.00 -0.15 -1.12 105.19 103.10 3hww n GLY 286 Ca -0.16 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.19 3hww n GLY 286 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hww n SER 287 N 0.02 0.00 -3.66 1.61 3.41 -1.26 -4.53 113.62 109.21 3hww n SER 287 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.36 3hww n SER 287 Cb 0.00 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 63.99 3hww n SER 287 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3hww n SER 288 N 0.00 -3.42 -4.76 4.04 7.64 -1.26 -1.20 113.62 114.66 3hww n SER 288 Ca 0.00 -0.91 -0.39 0.00 1.01 0.00 0.00 58.87 58.58 3hww n SER 288 Cb 0.00 -3.82 0.01 0.00 -1.01 0.00 0.00 64.21 59.39 3hww n SER 288 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3hww s LEU 289 N -6.46 4.08 -0.26 -3.43 1.02 -1.26 -4.67 118.68 107.69 3hww s LEU 289 Ca 0.25 2.77 -0.09 0.00 0.02 0.00 0.00 54.13 57.08 3hww s LEU 289 Cb -0.08 -4.02 -0.14 0.00 0.02 0.00 0.00 46.19 41.97 3hww s LEU 289 CO 0.83 -1.16 -0.27 0.41 0.02 0.00 0.00 176.35 176.19 3hww n THR 290 N -0.31 1.52 -2.20 5.49 -1.04 -1.26 -4.96 114.28 111.52 3hww n THR 290 Ca 0.06 -0.44 -0.41 0.00 -2.04 0.00 0.00 64.05 61.22 3hww n THR 290 Cb 0.43 -1.73 -0.03 0.00 -1.82 0.00 0.00 70.33 67.19 3hww n THR 290 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 3hww s GLY 291 N -5.82 2.59 0.20 3.41 0.00 -1.26 -4.93 107.32 101.52 3hww s GLY 291 Ca -0.37 1.14 -0.14 0.00 0.00 0.00 0.00 44.72 45.35 3hww s GLY 291 CO 0.54 2.01 1.63 1.70 0.00 0.00 0.00 173.10 178.98 3hww h LYS 292 N 4.86 -0.01 -0.15 2.90 3.64 -1.95 0.18 116.57 126.04 3hww h LYS 292 Ca -0.46 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 58.88 3hww h LYS 292 Cb 1.22 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.04 3hww h LYS 292 CO 0.74 -0.01 -0.07 0.00 -2.27 0.00 0.00 179.45 177.84 3hww h ARG 293 N -0.01 0.31 -0.54 1.90 2.47 -1.93 0.55 114.38 117.13 3hww h ARG 293 Ca 0.29 -0.14 0.02 0.00 -1.26 0.00 0.00 59.98 58.90 3hww h ARG 293 Cb 0.45 -0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 28.73 3hww h ARG 293 CO -0.63 0.64 0.32 1.25 0.56 0.00 0.00 179.97 182.11 3hww h LEU 294 N -0.03 0.53 -0.68 3.04 5.85 -1.86 0.37 115.31 122.53 3hww h LEU 294 Ca 0.03 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 3hww h LEU 294 Cb 0.55 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 3hww h LEU 294 CO 0.02 0.37 0.33 -0.07 -0.34 0.00 0.00 178.44 178.75 3hww h LEU 295 N 0.64 0.89 -0.66 2.25 3.38 -0.13 0.93 115.31 122.62 3hww h LEU 295 Ca 0.22 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3hww h LEU 295 Cb 0.02 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3hww h LEU 295 CO -0.09 0.78 0.26 1.56 0.09 0.00 0.00 178.44 181.03 3hww h GLN 296 N 0.95 0.98 -0.40 1.13 4.20 -0.70 -1.51 115.11 119.76 3hww h GLN 296 Ca 0.23 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.74 3hww h GLN 296 Cb 0.12 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.73 3hww h GLN 296 CO -0.03 0.83 0.15 2.35 -0.67 0.00 0.00 178.83 181.46 3hww h TRP 297 N 0.93 0.62 -0.30 2.96 7.01 0.44 -2.15 115.95 125.45 3hww h TRP 297 Ca 0.22 -0.05 0.06 0.00 2.11 0.00 0.00 58.89 61.22 3hww h TRP 297 Cb 0.21 -0.18 -0.05 0.00 -2.10 0.00 0.00 29.16 27.04 3hww h TRP 297 CO 0.01 0.56 -0.04 0.37 -2.79 0.00 0.00 178.44 176.55 3hww h GLN 298 N 0.50 0.04 -0.47 2.65 -0.00 -0.73 -0.28 115.11 116.81 3hww h GLN 298 Ca 0.13 -0.00 0.03 0.00 -0.00 0.00 0.00 58.65 58.81 3hww h GLN 298 Cb 0.21 -0.01 -0.03 0.00 0.00 0.00 0.00 27.48 27.65 3hww h GLN 298 CO -0.01 0.02 0.31 0.00 0.00 0.00 0.00 178.83 179.16 3hww h ALA 299 N 1.29 1.79 0.00 3.38 0.00 -0.92 -3.18 119.26 121.62 3hww h ALA 299 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hww h ALA 299 Cb 0.21 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.86 3hww h ALA 299 CO -0.28 0.16 -1.36 -1.13 0.00 0.00 0.00 179.25 176.64 3hww n SER 300 N -4.47 0.64 -4.75 0.00 3.41 -0.74 -4.92 113.62 102.79 3hww n SER 300 Ca 0.05 -0.64 -0.31 0.00 -0.26 0.00 0.00 58.87 57.72 3hww n SER 300 Cb 0.15 1.36 0.11 0.00 -0.26 0.00 0.00 64.21 65.56 3hww n SER 300 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hww n GLU 302 N -3.63 1.06 -0.73 0.00 1.02 -1.26 -5.04 120.64 112.07 3hww n GLU 302 Ca 0.08 -3.08 -0.28 0.00 -0.02 0.00 0.00 57.16 53.86 3hww n GLU 302 Cb 0.54 -1.32 0.23 0.00 -0.02 0.00 0.00 31.44 30.86 3hww n GLU 302 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 3hww s PRO 303 N -2.29 -0.46 0.34 3.49 0.04 -1.26 -4.92 135.00 129.94 3hww s PRO 303 Ca 0.32 0.78 0.06 0.00 0.04 0.00 0.00 61.00 62.19 3hww s PRO 303 Cb 0.40 -1.61 0.60 0.00 0.04 0.00 0.00 34.50 33.92 3hww s PRO 303 CO -0.03 -3.40 1.84 1.49 0.04 0.00 0.00 177.00 176.94 3hww h GLU 304 N -2.39 0.41 -3.04 4.56 4.81 -0.74 -3.44 114.58 114.75 3hww h GLU 304 Ca -0.59 -0.11 -0.14 0.00 -0.13 0.00 0.00 59.36 58.39 3hww h GLU 304 Cb 1.33 -0.05 -0.24 0.00 0.63 0.00 0.00 28.75 30.42 3hww h GLU 304 CO 0.52 0.54 -0.35 -1.21 -0.73 0.00 0.00 179.01 177.77 3hww s GLU 305 N -4.72 0.42 -0.14 1.92 2.02 -1.18 -4.83 118.70 112.19 3hww s GLU 305 Ca -0.07 0.24 0.01 0.00 0.02 0.00 0.00 54.97 55.18 3hww s GLU 305 Cb 0.15 0.20 -0.00 0.00 0.10 0.00 0.00 34.13 34.58 3hww s GLU 305 CO 0.76 -0.08 -0.17 -0.47 0.02 0.00 0.00 175.26 175.33 3hww s TYR 306 N -0.24 2.74 -0.08 1.61 6.14 -1.00 -2.20 117.35 124.32 3hww s TYR 306 Ca -0.04 -1.02 0.03 0.00 0.64 0.00 0.00 57.07 56.68 3hww s TYR 306 Cb -0.03 -1.85 -0.02 0.00 0.42 0.00 0.00 41.96 40.48 3hww s TYR 306 CO 0.01 -0.45 -0.16 -1.58 0.64 0.00 0.00 175.55 174.02 3hww s TRP 307 N 0.69 2.69 -0.17 4.97 0.52 0.14 -1.06 118.94 126.72 3hww s TRP 307 Ca -0.08 -0.43 0.01 0.00 0.02 0.00 0.00 56.10 55.62 3hww s TRP 307 Cb -0.16 -1.70 0.03 0.00 -1.15 0.00 0.00 33.47 30.49 3hww s TRP 307 CO 0.02 -0.02 -0.14 0.42 0.02 0.00 0.00 176.95 177.24 3hww s ILE 308 N -0.25 1.73 -0.27 2.03 1.01 -0.78 0.84 121.20 125.50 3hww s ILE 308 Ca 0.01 -0.85 -0.06 0.00 0.00 0.00 0.00 60.65 59.74 3hww s ILE 308 Cb -0.13 -1.67 -0.00 0.00 0.01 0.00 0.00 42.46 40.67 3hww s ILE 308 CO 0.03 0.37 0.05 -0.69 0.00 0.00 0.00 174.94 174.71 3hww s VAL 309 N 1.40 3.91 -0.07 2.92 1.01 0.14 -0.37 120.40 129.35 3hww s VAL 309 Ca 0.03 -0.55 -0.31 0.00 0.00 0.00 0.00 61.98 61.15 3hww s VAL 309 Cb -0.14 -2.93 0.07 0.00 0.00 0.00 0.00 36.38 33.38 3hww s VAL 309 CO -0.10 0.20 0.70 -0.62 0.00 0.00 0.00 175.10 175.28 3hww s ASP 310 N 1.52 -0.65 0.00 3.32 -1.08 -0.77 -0.97 116.67 118.02 3hww s ASP 310 Ca 0.04 0.76 0.20 0.00 -0.52 0.00 0.00 52.55 53.03 3hww s ASP 310 Cb -0.16 0.59 1.02 0.00 -1.46 0.00 0.00 42.92 42.91 3hww s ASP 310 CO 0.02 -0.57 1.68 -0.90 0.52 0.00 0.00 175.17 175.91 3hww n ASP 311 N 1.03 0.56 -4.79 -0.34 5.75 -0.80 -2.04 116.55 115.92 3hww n ASP 311 Ca -0.18 -1.50 -0.34 0.00 -0.01 0.00 0.00 54.79 52.76 3hww n ASP 311 Cb 0.57 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.63 3hww n ASP 311 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 3hww s ILE 312 N -1.93 3.51 0.40 2.12 -4.36 -1.26 -4.72 121.20 114.96 3hww s ILE 312 Ca 0.30 0.83 0.00 0.00 -0.26 0.00 0.00 60.65 61.52 3hww s ILE 312 Cb 0.15 -3.32 -0.02 0.00 1.25 0.00 0.00 42.46 40.52 3hww s ILE 312 CO 0.24 -0.31 0.62 -1.61 0.24 0.00 0.00 174.94 174.11 3hww s GLU 313 N -3.65 3.27 0.00 0.37 2.02 -1.26 -4.83 118.70 114.62 3hww s GLU 313 Ca 0.68 -0.40 0.00 0.00 0.02 0.00 0.00 54.97 55.26 3hww s GLU 313 Cb -0.19 -2.60 0.00 0.00 0.10 0.00 0.00 34.13 31.44 3hww s GLU 313 CO 0.31 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.92 3hww n GLY 314 N -1.95 0.22 3.77 -1.39 0.00 -1.26 -4.96 105.19 99.62 3hww n GLY 314 Ca -0.01 -1.85 -0.38 0.00 0.00 0.00 0.00 46.02 43.77 3hww n GLY 314 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hww s ARG 315 N -1.85 4.12 0.00 1.61 0.52 -1.26 -4.91 118.95 117.18 3hww s ARG 315 Ca 0.00 1.78 0.00 0.00 -0.52 0.00 0.00 55.73 56.99 3hww s ARG 315 Cb 0.00 -2.69 0.00 0.00 0.52 0.00 0.00 34.95 32.78 3hww s ARG 315 CO 0.00 -0.24 0.09 1.28 0.02 0.00 0.00 175.30 176.45 3hww n LEU 316 N 0.13 0.18 -4.37 2.53 4.77 -1.26 -4.97 117.00 114.02 3hww n LEU 316 Ca 0.04 -0.23 -0.42 0.00 -0.03 0.00 0.00 56.01 55.37 3hww n LEU 316 Cb 0.47 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.46 3hww n LEU 316 CO 0.50 0.05 -0.07 -0.62 -1.33 0.00 0.00 177.39 175.91 3hww s ASP 317 N -0.10 5.90 0.00 -1.43 -1.08 -1.26 -4.95 116.67 113.75 3hww s ASP 317 Ca 0.00 -1.20 0.30 0.00 -0.52 0.00 0.00 52.55 51.14 3hww s ASP 317 Cb 0.00 -2.09 1.73 0.00 -1.46 0.00 0.00 42.92 41.10 3hww s ASP 317 CO 0.00 -0.51 2.12 -0.81 0.52 0.00 0.00 175.17 176.49 3hww n PRO 318 N 5.07 1.08 0.00 4.34 -0.04 -1.26 -1.81 135.00 142.37 3hww n PRO 318 Ca -0.11 -0.11 0.12 0.00 -0.04 0.00 0.00 63.50 63.36 3hww n PRO 318 Cb 0.45 -1.48 0.21 0.00 -0.04 0.00 0.00 33.50 32.64 3hww n PRO 318 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hww n ALA 319 N -0.84 2.85 -4.03 0.55 0.00 -1.26 -5.00 120.51 112.78 3hww n ALA 319 Ca 0.22 -0.58 -0.29 0.00 0.00 0.00 0.00 53.44 52.79 3hww n ALA 319 Cb 0.13 -0.93 -0.02 0.00 0.00 0.00 0.00 19.45 18.63 3hww n ALA 319 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3hww n HIS 320 N 0.44 -1.76 -1.58 0.00 8.25 -0.75 -4.93 115.22 114.89 3hww n HIS 320 Ca 0.14 0.79 -0.33 0.00 -0.26 0.00 0.00 57.72 58.05 3hww n HIS 320 Cb 0.47 -3.52 0.07 0.00 1.12 0.00 0.00 29.99 28.13 3hww n HIS 320 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3hww s HIS 321 N -3.65 2.35 0.12 4.41 3.76 -1.26 -5.00 115.29 116.02 3hww s HIS 321 Ca 0.33 1.58 -0.31 0.00 -0.15 0.00 0.00 55.06 56.51 3hww s HIS 321 Cb -0.17 -3.30 -0.07 0.00 1.11 0.00 0.00 32.58 30.15 3hww s HIS 321 CO 0.89 -2.10 1.29 0.50 -0.85 0.00 0.00 174.74 174.47 3hww s ARG 322 N -4.05 4.39 0.00 1.40 3.52 -1.26 -4.82 118.95 118.14 3hww s ARG 322 Ca 0.70 1.95 0.00 0.00 -0.13 0.00 0.00 55.73 58.25 3hww s ARG 322 Cb -0.24 -3.27 0.00 0.00 -1.56 0.00 0.00 34.95 29.88 3hww s ARG 322 CO 0.44 -0.30 0.00 0.41 -0.81 0.00 0.00 175.30 175.04 3hww n GLY 323 N 3.02 -0.53 3.02 8.12 0.00 -1.26 -2.38 105.19 115.18 3hww n GLY 323 Ca 0.09 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 3hww n GLY 323 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hww s ARG 324 N -0.64 0.24 -0.26 1.61 0.52 -0.22 -4.94 118.95 115.26 3hww s ARG 324 Ca 0.00 -0.05 0.00 0.00 -0.52 0.00 0.00 55.73 55.16 3hww s ARG 324 Cb 0.00 0.10 0.05 0.00 0.52 0.00 0.00 34.95 35.62 3hww s ARG 324 CO 0.00 -0.04 -0.07 0.50 0.02 0.00 0.00 175.30 175.70 3hww s ARG 325 N -0.45 2.50 -0.18 3.54 6.06 -1.26 -1.87 118.95 127.29 3hww s ARG 325 Ca -0.05 -1.19 0.01 0.00 -2.50 0.00 0.00 55.73 51.99 3hww s ARG 325 Cb -0.03 -2.97 0.02 0.00 0.06 0.00 0.00 34.95 32.02 3hww s ARG 325 CO 0.00 -0.51 -0.19 -0.51 -2.50 0.00 0.00 175.30 171.59 3hww s LEU 326 N 1.22 2.17 -0.26 -0.88 1.43 0.51 -5.00 118.68 117.86 3hww s LEU 326 Ca -0.05 -0.65 -0.17 0.00 -1.03 0.00 0.00 54.13 52.23 3hww s LEU 326 Cb -0.19 -1.49 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 3hww s LEU 326 CO -0.04 -0.00 0.49 -0.63 0.23 0.00 0.00 176.35 176.40 3hww s ILE 327 N 1.30 5.09 -0.28 -0.59 1.09 -1.26 -1.85 121.20 124.69 3hww s ILE 327 Ca 0.05 0.84 -0.27 0.00 -1.10 0.00 0.00 60.65 60.16 3hww s ILE 327 Cb -0.13 -3.81 0.18 0.00 -1.06 0.00 0.00 42.46 37.64 3hww s ILE 327 CO -0.13 0.10 1.34 0.00 -0.10 0.00 0.00 174.94 176.15 3hww s ALA 328 N 2.23 -2.14 0.15 9.38 0.00 -0.86 -1.65 121.76 128.87 3hww s ALA 328 Ca 0.20 1.77 -0.31 0.00 0.00 0.00 0.00 51.96 53.62 3hww s ALA 328 Cb -0.16 -1.55 -0.11 0.00 0.00 0.00 0.00 23.12 21.30 3hww s ALA 328 CO 0.09 -0.18 1.82 1.21 0.00 0.00 0.00 175.76 178.70 3hww s ASN 329 N -0.48 6.40 0.10 0.00 2.47 -1.26 -1.90 114.94 120.27 3hww s ASN 329 Ca 0.07 2.81 -0.24 0.00 0.42 0.00 0.00 52.86 55.92 3hww s ASN 329 Cb -0.03 -2.57 -0.11 0.00 -1.45 0.00 0.00 41.25 37.09 3hww s ASN 329 CO -0.10 -1.01 1.71 0.40 -3.72 0.00 0.00 177.10 174.38 3hww h ILE 330 N 4.48 0.80 -0.69 -5.21 2.04 -1.94 -0.18 117.51 116.81 3hww h ILE 330 Ca -0.46 0.00 0.15 0.00 1.00 0.00 0.00 64.86 65.55 3hww h ILE 330 Cb 1.21 0.80 -0.12 0.00 -0.74 0.00 0.00 36.82 37.98 3hww h ILE 330 CO 0.95 0.00 0.02 0.00 0.00 0.00 0.00 178.15 179.12 3hww h ALA 331 N 0.80 0.71 -0.29 1.87 0.00 -1.94 0.67 119.26 121.08 3hww h ALA 331 Ca 0.02 0.21 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 3hww h ALA 331 Cb 0.18 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 3hww h ALA 331 CO -0.06 -0.40 -0.10 -0.44 0.00 0.00 0.00 179.25 178.25 3hww h ASP 332 N 0.12 0.46 -0.24 0.00 3.32 -1.68 -3.03 116.42 115.37 3hww h ASP 332 Ca 0.37 -0.11 -0.07 0.00 0.02 0.00 0.00 57.03 57.23 3hww h ASP 332 Cb 0.62 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 3hww h ASP 332 CO -0.59 0.61 -0.13 -0.25 -1.72 0.00 0.00 179.24 177.16 3hww h TRP 333 N 0.45 0.61 -0.69 4.55 7.01 0.81 -1.52 115.95 127.16 3hww h TRP 333 Ca 0.09 -0.16 0.11 0.00 2.11 0.00 0.00 58.89 61.04 3hww h TRP 333 Cb 0.46 -0.14 -0.08 0.00 -2.10 0.00 0.00 29.16 27.30 3hww h TRP 333 CO 0.01 0.80 0.28 -0.07 -2.79 0.00 0.00 178.44 176.68 3hww h LEU 334 N 0.24 0.30 -0.88 0.65 3.38 -1.00 0.14 115.31 118.15 3hww h LEU 334 Ca 0.05 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 3hww h LEU 334 Cb 0.65 0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 3hww h LEU 334 CO 0.04 0.15 0.38 -0.33 0.09 0.00 0.00 178.44 178.77 3hww h GLU 335 N 0.46 1.19 0.00 1.13 5.08 -1.39 -1.99 114.58 119.06 3hww h GLU 335 Ca 0.36 -0.18 -0.06 0.00 -1.00 0.00 0.00 59.36 58.48 3hww h GLU 335 Cb 0.48 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3hww h GLU 335 CO -0.34 0.93 -0.30 1.25 -1.00 0.00 0.00 179.01 179.55 3hww h LEU 336 N 1.18 0.00 -6.31 1.33 5.85 -0.46 -3.35 115.31 113.54 3hww h LEU 336 Ca 0.28 0.00 -0.59 0.00 0.84 0.00 0.00 57.88 58.41 3hww h LEU 336 Cb 0.14 0.00 -0.40 0.00 0.37 0.00 0.00 40.66 40.77 3hww h LEU 336 CO -0.03 0.30 -0.81 1.41 -0.34 0.00 0.00 178.44 178.96 3hww n HIS 337 N -3.42 1.60 -2.09 1.25 8.25 0.43 -4.90 115.22 116.33 3hww n HIS 337 Ca 0.00 -3.86 -0.36 0.00 -0.26 0.00 0.00 57.72 53.24 3hww n HIS 337 Cb 0.49 -0.38 0.02 0.00 1.12 0.00 0.00 29.99 31.24 3hww n HIS 337 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3hww s PRO 338 N -1.51 3.18 0.58 -0.41 0.04 -0.90 -4.70 135.00 131.29 3hww s PRO 338 Ca 0.35 1.79 -0.17 0.00 0.04 0.00 0.00 61.00 63.01 3hww s PRO 338 Cb 0.11 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.58 3hww s PRO 338 CO -0.10 -1.03 1.07 0.00 0.04 0.00 0.00 177.00 176.98 3hww s ALA 339 N -1.61 2.72 -0.04 8.56 0.00 -1.26 -5.03 121.76 125.09 3hww s ALA 339 Ca 0.74 0.48 0.07 0.00 0.00 0.00 0.00 51.96 53.25 3hww s ALA 339 Cb -0.29 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 3hww s ALA 339 CO 0.33 -0.80 -0.25 -2.00 0.00 0.00 0.00 175.76 173.04 3hww s GLU 340 N -3.90 2.30 0.31 0.00 2.12 -1.26 -5.03 118.70 113.25 3hww s GLU 340 Ca 0.65 -0.90 -0.29 0.00 0.36 0.00 0.00 54.97 54.79 3hww s GLU 340 Cb -0.17 -2.06 -0.12 0.00 0.26 0.00 0.00 34.13 32.04 3hww s GLU 340 CO 0.34 0.45 1.52 1.17 -0.54 0.00 0.00 175.26 178.20 3hww n LYS 341 N 2.74 2.57 -3.61 4.30 3.00 -1.26 -4.38 118.16 121.52 3hww n LYS 341 Ca -0.17 0.91 -0.14 0.00 -0.00 0.00 0.00 58.31 58.91 3hww n LYS 341 Cb 0.52 -2.65 -0.07 0.00 0.00 0.00 0.00 35.03 32.83 3hww n LYS 341 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 3hww s ARG 342 N -1.06 0.83 0.21 1.64 3.52 -0.65 -5.00 118.95 118.44 3hww s ARG 342 Ca 0.61 0.80 -0.30 0.00 -0.13 0.00 0.00 55.73 56.70 3hww s ARG 342 Cb -0.51 0.40 -0.09 0.00 -1.56 0.00 0.00 34.95 33.19 3hww s ARG 342 CO 0.54 -0.14 1.27 -0.65 -0.81 0.00 0.00 175.30 175.51 3hww s GLN 343 N 0.05 4.43 -0.22 5.12 -1.52 -1.26 -3.31 119.66 122.94 3hww s GLN 343 Ca -0.02 2.00 -0.33 0.00 -1.95 0.00 0.00 55.36 55.07 3hww s GLN 343 Cb -0.04 -3.20 -0.10 0.00 -0.22 0.00 0.00 33.01 29.45 3hww s GLN 343 CO 0.02 -0.18 2.09 -2.30 -0.25 0.00 0.00 175.29 174.67 3hww n PRO 344 N 2.39 1.71 0.00 2.91 -0.02 -1.26 -4.71 135.00 136.03 3hww n PRO 344 Ca 0.05 0.54 0.14 0.00 -2.02 0.00 0.00 63.50 62.20 3hww n PRO 344 Cb 0.43 -2.75 0.67 0.00 -0.02 0.00 0.00 33.50 31.83 3hww n PRO 344 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 3hww n TRP 345 N 9.27 0.00 -4.28 6.00 4.27 -1.03 -4.78 117.44 126.89 3hww n TRP 345 Ca 0.31 0.00 -0.35 0.00 -3.89 0.00 0.00 57.50 53.57 3hww n TRP 345 Cb 0.31 -0.39 -0.09 0.00 -1.36 0.00 0.00 31.31 29.79 3hww n TRP 345 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3hww n VAL 347 N 2.11 0.03 0.40 0.00 0.24 -1.26 -4.83 118.33 115.02 3hww n VAL 347 Ca -0.19 -0.01 0.12 0.00 -2.04 0.00 0.00 64.34 62.22 3hww n VAL 347 Cb 0.54 -0.57 0.26 0.00 -1.47 0.00 0.00 33.84 32.60 3hww n VAL 347 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3hww h GLU 348 N 0.00 0.00 -0.02 7.34 5.08 -1.95 -3.37 114.58 121.66 3hww h GLU 348 Ca -0.01 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 3hww h GLU 348 Cb 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 3hww h GLU 348 CO -0.00 0.00 -0.18 0.82 -1.00 0.00 0.00 179.01 178.65 3hww h ILE 349 N 0.00 1.52 -0.51 3.13 2.04 -1.90 -2.66 117.51 119.12 3hww h ILE 349 Ca 0.00 -1.77 0.14 0.00 1.00 0.00 0.00 64.86 64.23 3hww h ILE 349 Cb 0.88 2.62 -0.02 0.00 -0.74 0.00 0.00 36.82 39.56 3hww h ILE 349 CO 0.00 0.48 0.36 -0.65 0.00 0.00 0.00 178.15 178.34 3hww h PRO 350 N -0.48 0.05 0.06 2.37 0.11 -1.90 -0.61 132.00 131.60 3hww h PRO 350 Ca -0.02 -0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.95 3hww h PRO 350 Cb 0.88 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 32.00 3hww h PRO 350 CO 0.04 0.03 -0.60 -0.09 -0.21 0.00 0.00 178.00 177.17 3hww h ARG 351 N 0.05 0.29 -0.78 1.05 2.43 -1.76 -3.08 114.38 112.57 3hww h ARG 351 Ca 0.24 -0.40 0.10 0.00 -0.81 0.00 0.00 59.98 59.11 3hww h ARG 351 Cb 0.90 0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 30.51 3hww h ARG 351 CO -0.01 1.13 0.43 -0.07 -1.51 0.00 0.00 179.97 179.93 3hww h LEU 352 N -0.36 0.58 0.00 3.80 3.38 -0.93 -1.99 115.31 119.81 3hww h LEU 352 Ca -0.09 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3hww h LEU 352 Cb 1.39 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.09 3hww h LEU 352 CO 0.11 0.33 -0.00 0.00 0.09 0.00 0.00 178.44 178.97 3hww h ALA 353 N 1.45 -0.01 -0.33 1.53 0.00 -1.23 -0.34 119.26 120.33 3hww h ALA 353 Ca 0.38 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.34 3hww h ALA 353 Cb 0.39 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.10 3hww h ALA 353 CO -0.26 -0.48 -0.31 1.49 0.00 0.00 0.00 179.25 179.69 3hww h GLU 354 N -0.06 -0.26 0.00 0.00 4.81 -1.39 0.71 114.58 118.38 3hww h GLU 354 Ca -0.00 0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.21 3hww h GLU 354 Cb 0.06 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.50 3hww h GLU 354 CO 0.00 -0.18 -0.18 1.96 -0.73 0.00 0.00 179.01 179.89 3hww h GLN 355 N -0.27 0.00 0.39 1.92 4.20 -1.21 0.13 115.11 120.27 3hww h GLN 355 Ca 0.16 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.85 3hww h GLN 355 Cb 0.53 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.31 3hww h GLN 355 CO -0.49 0.18 -0.19 0.00 -0.67 0.00 0.00 178.83 177.67 3hww h ALA 356 N 1.82 -0.52 -0.08 3.87 0.00 -0.20 0.13 119.26 124.28 3hww h ALA 356 Ca -0.00 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.75 3hww h ALA 356 Cb 0.48 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3hww h ALA 356 CO 0.02 -0.69 0.02 1.98 0.00 0.00 0.00 179.25 180.58 3hww h MET 357 N -0.73 0.05 -0.33 0.00 1.85 -0.28 -2.40 114.93 113.10 3hww h MET 357 Ca -0.05 -0.00 0.07 0.00 -0.61 0.00 0.00 59.70 59.10 3hww h MET 357 Cb 0.51 -0.01 -0.06 0.00 0.43 0.00 0.00 31.60 32.46 3hww h MET 357 CO 0.09 0.04 -0.08 1.96 -0.40 0.00 0.00 176.91 178.51 3hww h GLN 358 N 0.06 0.00 -1.00 0.39 4.20 -0.78 0.63 115.11 118.61 3hww h GLN 358 Ca 0.03 -0.00 0.21 0.00 0.06 0.00 0.00 58.65 58.96 3hww h GLN 358 Cb 0.02 -0.00 -0.10 0.00 0.30 0.00 0.00 27.48 27.70 3hww h GLN 358 CO -0.04 0.00 0.62 0.00 -0.67 0.00 0.00 178.83 178.74 3hww h ALA 359 N 1.33 1.85 0.25 3.87 0.00 -0.50 -1.15 119.26 124.91 3hww h ALA 359 Ca 0.16 0.07 -0.34 0.00 0.00 0.00 0.00 54.91 54.81 3hww h ALA 359 Cb 0.24 -0.05 0.04 0.00 0.00 0.00 0.00 17.79 18.02 3hww h ALA 359 CO -0.34 -0.23 -1.49 0.28 0.00 0.00 0.00 179.25 177.48 3hww h VAL 360 N 0.64 1.28 -0.73 0.00 2.07 0.14 -3.23 116.25 116.41 3hww h VAL 360 Ca 0.58 -2.71 0.03 0.00 0.82 0.00 0.00 66.70 65.41 3hww h VAL 360 Cb 1.08 3.04 -0.05 0.00 -1.52 0.00 0.00 31.29 33.84 3hww h VAL 360 CO -0.35 0.82 0.46 0.16 0.02 0.00 0.00 177.57 178.68 3hww h ILE 361 N 0.14 1.11 -1.14 4.57 3.07 0.69 -1.67 117.51 124.29 3hww h ILE 361 Ca -0.26 -0.31 0.34 0.00 1.55 0.00 0.00 64.86 66.18 3hww h ILE 361 Cb 2.17 0.12 -0.12 0.00 -0.27 0.00 0.00 36.82 38.72 3hww h ILE 361 CO 0.27 0.17 0.72 0.00 -1.05 0.00 0.00 178.15 178.26 3hww h ALA 362 N 1.31 2.38 -0.78 0.16 0.00 -1.26 -1.31 119.26 119.77 3hww h ALA 362 Ca 0.29 0.10 -0.44 0.00 0.00 0.00 0.00 54.91 54.87 3hww h ALA 362 Cb 0.01 0.12 -0.25 0.00 0.00 0.00 0.00 17.79 17.67 3hww h ALA 362 CO -0.11 -0.90 0.36 2.89 0.00 0.00 0.00 179.25 181.49 3hww n ARG 363 N -4.72 2.27 0.00 0.00 1.85 -0.63 -4.79 116.66 110.63 3hww n ARG 363 Ca 0.31 -3.19 0.00 0.00 -1.00 0.00 0.00 57.85 53.97 3hww n ARG 363 Cb 1.10 -2.09 0.00 0.00 -1.05 0.00 0.00 32.46 30.43 3hww n ARG 363 CO 0.00 0.00 0.00 2.89 -0.01 0.00 0.00 177.63 180.51 3hww n ARG 364 N -1.08 0.90 -0.09 2.89 1.85 -0.49 -4.45 116.66 116.18 3hww n ARG 364 Ca 0.51 0.00 -0.13 0.00 -1.00 0.00 0.00 57.85 57.23 3hww n ARG 364 Cb 1.26 -1.03 -0.09 0.00 -1.05 0.00 0.00 32.46 31.55 3hww n ARG 364 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3hww n ASP 365 N -0.46 2.46 -4.58 2.89 8.00 -1.26 -4.95 116.55 118.65 3hww n ASP 365 Ca 0.00 -0.10 -0.40 0.00 0.71 0.00 0.00 54.79 55.00 3hww n ASP 365 Cb 0.02 -0.24 0.02 0.00 -0.02 0.00 0.00 41.12 40.90 3hww n ASP 365 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hww n ALA 366 N -3.03 -0.17 -3.02 2.24 0.00 -1.26 -4.87 120.51 110.40 3hww n ALA 366 Ca -0.33 0.16 -0.44 0.00 0.00 0.00 0.00 53.44 52.83 3hww n ALA 366 Cb 0.87 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 18.29 3hww n ALA 366 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3hww n PHE 367 N -0.86 4.88 -4.28 0.00 7.35 -1.26 -4.70 117.46 118.58 3hww n PHE 367 Ca 0.11 -3.46 -0.15 0.00 -0.76 0.00 0.00 57.45 53.19 3hww n PHE 367 Cb 0.41 -2.03 -0.10 0.00 0.35 0.00 0.00 39.48 38.11 3hww n PHE 367 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3hww s GLY 368 N 2.19 1.41 0.28 7.13 0.00 -1.26 -5.02 107.32 112.06 3hww s GLY 368 Ca 0.39 -1.69 -0.02 0.00 0.00 0.00 0.00 44.72 43.40 3hww s GLY 368 CO -0.02 -1.59 1.59 -2.09 0.00 0.00 0.00 173.10 171.00 3hww h GLU 369 N 2.57 0.04 -0.01 2.90 4.81 -1.94 -0.92 114.58 122.03 3hww h GLU 369 Ca -0.37 -0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.74 3hww h GLU 369 Cb 1.22 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.57 3hww h GLU 369 CO 0.63 0.03 -0.51 0.00 -0.73 0.00 0.00 179.01 178.42 3hww h ALA 370 N 1.90 1.12 0.07 2.92 0.00 -1.91 -1.66 119.26 121.71 3hww h ALA 370 Ca 0.52 -0.47 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 3hww h ALA 370 Cb 1.00 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3hww h ALA 370 CO -0.86 0.65 -0.74 1.96 0.00 0.00 0.00 179.25 180.26 3hww h GLN 371 N 0.03 0.16 -0.95 0.00 7.50 -1.55 -1.80 115.11 118.49 3hww h GLN 371 Ca -0.00 -0.27 0.18 0.00 0.50 0.00 0.00 58.65 59.06 3hww h GLN 371 Cb 0.92 0.10 -0.18 0.00 0.05 0.00 0.00 27.48 28.37 3hww h GLN 371 CO 0.07 1.13 -0.27 1.25 -1.50 0.00 0.00 178.83 179.51 3hww h LEU 372 N -0.63 -1.00 -0.45 1.46 5.85 -1.21 0.25 115.31 119.58 3hww h LEU 372 Ca -0.16 0.29 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3hww h LEU 372 Cb 1.43 0.62 -0.02 0.00 0.37 0.00 0.00 40.66 43.06 3hww h LEU 372 CO 0.04 -0.31 0.29 0.00 -0.34 0.00 0.00 178.44 178.12 3hww h ALA 373 N 1.82 0.57 -0.58 1.25 0.00 -1.26 -1.26 119.26 119.80 3hww h ALA 373 Ca 0.43 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.21 3hww h ALA 373 Cb 0.67 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3hww h ALA 373 CO -0.98 0.04 0.03 1.25 0.00 0.00 0.00 179.25 179.60 3hww h HIS 374 N 0.61 1.05 -0.17 0.00 -0.00 -0.37 -3.08 115.15 113.18 3hww h HIS 374 Ca 0.16 -0.16 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 3hww h HIS 374 Cb -0.04 -0.28 0.00 0.00 -0.00 0.00 0.00 27.41 27.09 3hww h HIS 374 CO -0.04 0.92 0.00 0.54 -0.00 0.00 0.00 177.93 179.35 3hww n ARG 375 N -4.20 1.72 -0.21 5.26 1.74 0.78 -4.52 116.66 117.24 3hww n ARG 375 Ca 0.03 -1.09 0.30 0.00 -0.77 0.00 0.00 57.85 56.32 3hww n ARG 375 Cb 0.31 -1.39 0.73 0.00 -1.02 0.00 0.00 32.46 31.09 3hww n ARG 375 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3hww h ILE 376 N 2.19 0.50 0.00 0.55 6.09 -1.15 0.33 117.51 126.03 3hww h ILE 376 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 3hww h ILE 376 Cb 0.48 0.51 0.00 0.00 0.47 0.00 0.00 36.82 38.28 3hww h ILE 376 CO 0.00 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.08 3hww n ASP 378 N -1.20 0.41 -0.03 0.00 8.00 0.11 -3.68 116.55 120.15 3hww n ASP 378 Ca 0.15 0.55 0.02 0.00 0.71 0.00 0.00 54.79 56.22 3hww n ASP 378 Cb 0.18 -0.66 -0.02 0.00 -0.02 0.00 0.00 41.12 40.60 3hww n ASP 378 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3hww n TYR 379 N -1.90 0.00 -1.65 1.24 4.01 -0.79 -5.00 117.16 113.07 3hww n TYR 379 Ca 0.05 0.00 -0.49 0.00 -0.16 0.00 0.00 57.90 57.30 3hww n TYR 379 Cb 0.34 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.32 3hww n TYR 379 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3hww n LEU 380 N -0.93 2.65 -4.76 7.72 4.77 -1.16 -4.94 117.00 120.35 3hww n LEU 380 Ca 0.01 1.08 -0.41 0.00 -0.03 0.00 0.00 56.01 56.66 3hww n LEU 380 Cb 0.08 -1.32 -0.03 0.00 -2.33 0.00 0.00 43.42 39.82 3hww n LEU 380 CO 0.09 -0.50 0.94 -2.16 -1.33 0.00 0.00 177.39 174.43 3hww s PRO 381 N 1.44 4.43 0.14 3.23 0.04 -1.26 -4.96 135.00 138.05 3hww s PRO 381 Ca 0.84 2.09 -0.33 0.00 0.04 0.00 0.00 61.00 63.65 3hww s PRO 381 Cb -0.79 -3.12 -0.12 0.00 0.04 0.00 0.00 34.50 30.50 3hww s PRO 381 CO 0.45 -0.11 1.73 -1.91 0.04 0.00 0.00 177.00 177.20 3hww n GLU 382 N 1.27 2.53 -2.76 4.56 2.13 -1.26 -2.08 120.64 125.03 3hww n GLU 382 Ca 0.01 0.92 -0.20 0.00 0.66 0.00 0.00 57.16 58.55 3hww n GLU 382 Cb 0.43 -2.76 0.02 0.00 0.27 0.00 0.00 31.44 29.40 3hww n GLU 382 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 3hww n GLN 383 N 4.59 -3.53 0.00 5.31 1.13 -1.26 -4.89 117.38 118.73 3hww n GLN 383 Ca 0.18 0.87 0.00 0.00 -1.94 0.00 0.00 57.00 56.11 3hww n GLN 383 Cb 0.33 -5.53 0.00 0.00 0.11 0.00 0.00 30.24 25.15 3hww n GLN 383 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3hww n GLY 384 N -1.32 4.35 3.39 1.08 0.00 -0.89 -4.61 105.19 107.19 3hww n GLY 384 Ca -0.15 -1.93 -0.15 0.00 0.00 0.00 0.00 46.02 43.79 3hww n GLY 384 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3hww s GLN 385 N 2.44 0.93 -0.05 1.61 -2.07 -1.01 -4.35 119.66 117.16 3hww s GLN 385 Ca 0.00 -0.04 0.04 0.00 -1.82 0.00 0.00 55.36 53.54 3hww s GLN 385 Cb 0.00 0.43 -0.02 0.00 -1.09 0.00 0.00 33.01 32.33 3hww s GLN 385 CO 0.00 -0.30 -0.18 -1.17 -1.32 0.00 0.00 175.29 172.33 3hww s LEU 386 N -1.49 2.53 -0.14 2.60 2.96 -0.33 -1.27 118.68 123.55 3hww s LEU 386 Ca -0.10 -0.29 0.02 0.00 -0.22 0.00 0.00 54.13 53.54 3hww s LEU 386 Cb -0.02 -1.50 0.01 0.00 0.50 0.00 0.00 46.19 45.19 3hww s LEU 386 CO 0.05 0.32 -0.19 0.12 -1.32 0.00 0.00 176.35 175.32 3hww s PHE 387 N -0.57 2.50 0.02 5.38 5.36 0.13 -0.45 117.98 130.34 3hww s PHE 387 Ca 0.08 -1.31 0.05 0.00 -0.96 0.00 0.00 56.93 54.79 3hww s PHE 387 Cb -0.11 -1.73 -0.03 0.00 -0.34 0.00 0.00 43.02 40.80 3hww s PHE 387 CO 0.01 -0.63 -0.12 0.14 -1.46 0.00 0.00 175.22 173.16 3hww s VAL 388 N 1.02 3.25 0.00 3.12 -7.23 0.32 -1.05 120.40 119.83 3hww s VAL 388 Ca -0.03 -0.94 0.00 0.00 -1.81 0.00 0.00 61.98 59.19 3hww s VAL 388 Cb -0.15 -2.39 0.00 0.00 0.56 0.00 0.00 36.38 34.41 3hww s VAL 388 CO -0.05 0.38 0.00 0.61 -0.31 0.00 0.00 175.10 175.73 3hww n GLY 389 N 1.60 -0.98 2.54 2.32 0.00 -0.42 -4.24 105.19 106.02 3hww n GLY 389 Ca -0.16 -1.64 -0.27 0.00 0.00 0.00 0.00 46.02 43.96 3hww n GLY 389 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3hww n ASN 390 N -1.26 3.28 -3.78 1.61 3.02 -1.26 -4.85 115.26 112.02 3hww n ASN 390 Ca 0.00 -3.32 -0.11 0.00 -0.03 0.00 0.00 54.58 51.12 3hww n ASN 390 Cb 0.00 -0.69 -0.07 0.00 -0.61 0.00 0.00 39.78 38.41 3hww n ASN 390 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3hww s SER 391 N -2.08 -0.08 0.24 6.41 0.15 -1.26 -4.95 113.70 112.13 3hww s SER 391 Ca 0.35 -0.27 -0.05 0.00 0.70 0.00 0.00 55.95 56.68 3hww s SER 391 Cb 0.10 0.35 0.45 0.00 -1.71 0.00 0.00 66.02 65.20 3hww s SER 391 CO -0.06 -0.62 1.70 0.25 1.20 0.00 0.00 173.24 175.70 3hww h LEU 392 N 3.19 0.08 -1.76 3.45 6.46 -2.00 -1.14 115.31 123.60 3hww h LEU 392 Ca -0.32 0.13 0.21 0.00 -0.12 0.00 0.00 57.88 57.78 3hww h LEU 392 Cb 1.20 0.16 -0.05 0.00 -0.73 0.00 0.00 40.66 41.25 3hww h LEU 392 CO 0.47 0.00 0.57 1.62 -0.62 0.00 0.00 178.44 180.48 3hww h VAL 393 N 0.31 0.66 0.16 1.05 3.04 -1.96 -0.40 116.25 119.11 3hww h VAL 393 Ca 0.41 -0.07 -0.34 0.00 -1.01 0.00 0.00 66.70 65.69 3hww h VAL 393 Cb 0.67 0.43 0.00 0.00 -2.01 0.00 0.00 31.29 30.38 3hww h VAL 393 CO -0.47 0.04 -1.69 1.62 -1.01 0.00 0.00 177.57 176.06 3hww h VAL 394 N 0.21 1.00 -0.98 1.51 3.04 -1.54 -1.05 116.25 118.44 3hww h VAL 394 Ca 0.41 -2.60 0.32 0.00 -1.01 0.00 0.00 66.70 63.81 3hww h VAL 394 Cb 1.28 2.75 -0.15 0.00 -2.01 0.00 0.00 31.29 33.16 3hww h VAL 394 CO -0.09 0.84 0.47 0.03 -1.01 0.00 0.00 177.57 177.81 3hww h ARG 395 N 0.09 0.23 -0.37 4.17 3.08 -1.25 -1.44 114.38 118.90 3hww h ARG 395 Ca -0.31 -0.01 -0.14 0.00 0.07 0.00 0.00 59.98 59.58 3hww h ARG 395 Cb 2.07 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 32.06 3hww h ARG 395 CO 0.17 0.16 -0.34 -0.07 -1.07 0.00 0.00 179.97 178.81 3hww h LEU 396 N 0.24 0.89 -0.53 3.04 3.38 -0.80 0.64 115.31 122.18 3hww h LEU 396 Ca 0.71 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 58.27 3hww h LEU 396 Cb 1.62 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 42.10 3hww h LEU 396 CO -0.65 1.15 0.22 0.40 0.09 0.00 0.00 178.44 179.64 3hww h ILE 397 N 0.71 1.21 -0.54 1.22 2.04 -0.88 1.49 117.51 122.77 3hww h ILE 397 Ca 0.07 -0.65 -0.06 0.00 1.00 0.00 0.00 64.86 65.22 3hww h ILE 397 Cb 0.90 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.61 3hww h ILE 397 CO 0.08 0.25 0.08 -0.78 0.00 0.00 0.00 178.15 177.78 3hww h ASP 398 N 0.71 0.80 0.03 1.72 3.58 -0.91 -0.57 116.42 121.78 3hww h ASP 398 Ca 0.18 -0.17 -0.05 0.00 0.42 0.00 0.00 57.03 57.41 3hww h ASP 398 Cb 0.18 -0.21 0.00 0.00 1.72 0.00 0.00 39.33 41.02 3hww h ASP 398 CO -0.02 0.82 -0.22 0.00 -2.88 0.00 0.00 179.24 176.95 3hww h ALA 399 N 1.28 -0.01 -0.00 -0.78 0.00 -0.37 -3.40 119.26 115.98 3hww h ALA 399 Ca 0.17 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3hww h ALA 399 Cb 0.37 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.21 3hww h ALA 399 CO 0.01 0.11 -0.84 1.28 0.00 0.00 0.00 179.25 179.80 3hww n LEU 400 N -4.50 1.02 -4.64 0.00 4.77 0.51 -3.95 117.00 110.21 3hww n LEU 400 Ca -0.12 -0.43 -0.24 0.00 -0.03 0.00 0.00 56.01 55.19 3hww n LEU 400 Cb 0.56 -0.05 -0.08 0.00 -2.33 0.00 0.00 43.42 41.52 3hww n LEU 400 CO 0.36 0.24 -0.29 -0.55 -1.33 0.00 0.00 177.39 175.82 3hww s SER 401 N -2.93 4.24 -0.26 -1.43 0.15 -0.22 -4.56 113.70 108.68 3hww s SER 401 Ca 0.10 -0.96 0.02 0.00 0.70 0.00 0.00 55.95 55.80 3hww s SER 401 Cb 0.17 -0.56 0.07 0.00 -1.71 0.00 0.00 66.02 63.99 3hww s SER 401 CO 0.80 -0.24 -0.05 -1.58 1.20 0.00 0.00 173.24 173.38 3hww s GLN 402 N -3.73 1.71 0.26 5.44 0.74 -1.26 -4.49 119.66 118.33 3hww s GLN 402 Ca 0.35 -1.19 -0.19 0.00 0.05 0.00 0.00 55.36 54.39 3hww s GLN 402 Cb -0.00 -2.70 -0.09 0.00 1.10 0.00 0.00 33.01 31.32 3hww s GLN 402 CO 0.20 -0.65 0.74 -0.51 -0.55 0.00 0.00 175.29 174.51 3hww s LEU 403 N 1.28 4.25 0.32 3.68 1.43 -1.26 -4.92 118.68 123.46 3hww s LEU 403 Ca -0.04 1.40 -0.29 0.00 -1.03 0.00 0.00 54.13 54.17 3hww s LEU 403 Cb -0.19 -3.76 -0.10 0.00 0.03 0.00 0.00 46.19 42.16 3hww s LEU 403 CO -0.07 -0.05 1.25 -2.16 0.23 0.00 0.00 176.35 175.55 3hww s PRO 404 N -2.29 4.42 -0.08 1.29 0.04 -1.26 -3.89 135.00 133.22 3hww s PRO 404 Ca 0.47 2.10 -0.41 0.00 0.04 0.00 0.00 61.00 63.20 3hww s PRO 404 Cb -0.15 -3.09 -0.19 0.00 0.04 0.00 0.00 34.50 31.11 3hww s PRO 404 CO 0.20 -0.09 1.23 0.00 0.04 0.00 0.00 177.00 178.38 3hww n ALA 405 N 0.87 -2.70 -0.97 8.56 0.00 -1.26 -2.35 120.51 122.66 3hww n ALA 405 Ca -0.00 0.56 0.00 0.00 0.00 0.00 0.00 53.44 54.00 3hww n ALA 405 Cb 0.43 -1.86 0.00 0.00 0.00 0.00 0.00 19.45 18.02 3hww n ALA 405 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hww n GLY 406 N 2.19 0.71 3.67 0.00 0.00 0.26 -4.87 105.19 107.16 3hww n GLY 406 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 3hww n GLY 406 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3hww s TYR 407 N -2.95 3.44 0.17 1.61 6.14 -0.99 -4.83 117.35 119.93 3hww s TYR 407 Ca 0.00 1.35 -0.32 0.00 0.64 0.00 0.00 57.07 58.74 3hww s TYR 407 Cb 0.00 -3.07 -0.12 0.00 0.42 0.00 0.00 41.96 39.19 3hww s TYR 407 CO 0.00 -0.25 1.77 -2.30 0.64 0.00 0.00 175.55 175.41 3hww n PRO 408 N 5.25 2.76 -4.86 4.97 -0.02 -1.26 -4.78 135.00 137.06 3hww n PRO 408 Ca 0.06 1.00 -0.26 0.00 -2.02 0.00 0.00 63.50 62.28 3hww n PRO 408 Cb 0.49 -2.87 -0.15 0.00 -0.02 0.00 0.00 33.50 30.95 3hww n PRO 408 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3hww s VAL 409 N 1.83 1.51 0.13 -1.45 1.01 -1.26 -1.18 120.40 120.98 3hww s VAL 409 Ca 0.78 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.90 3hww s VAL 409 Cb -0.50 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 3hww s VAL 409 CO 0.35 0.38 -0.03 -0.31 0.00 0.00 0.00 175.10 175.48 3hww s TYR 410 N -0.51 1.01 0.07 5.22 2.02 0.41 -4.96 117.35 120.61 3hww s TYR 410 Ca 0.07 -0.98 -0.27 0.00 -0.37 0.00 0.00 57.07 55.52 3hww s TYR 410 Cb -0.08 -0.58 0.09 0.00 -0.40 0.00 0.00 41.96 41.00 3hww s TYR 410 CO -0.00 -0.20 1.10 -1.54 -1.57 0.00 0.00 175.55 173.33 3hww s SER 411 N -3.09 -0.13 -0.82 2.29 1.04 -1.26 -0.52 113.70 111.20 3hww s SER 411 Ca 0.17 -0.28 0.01 0.00 0.48 0.00 0.00 55.95 56.34 3hww s SER 411 Cb 0.06 0.35 0.20 0.00 0.10 0.00 0.00 66.02 66.72 3hww s SER 411 CO -0.01 -0.64 0.68 0.59 0.98 0.00 0.00 173.24 174.84 3hww n ASN 412 N -0.47 3.75 -0.59 7.02 3.02 -1.26 -4.91 115.26 121.82 3hww n ASN 412 Ca -0.07 -3.17 0.06 0.00 -0.03 0.00 0.00 54.58 51.37 3hww n ASN 412 Cb 0.62 -0.93 0.20 0.00 -0.61 0.00 0.00 39.78 39.06 3hww n ASN 412 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3hww n ARG 413 N 2.13 1.55 0.00 3.52 5.12 -1.26 -3.48 116.66 124.25 3hww n ARG 413 Ca 0.21 -3.26 -0.01 0.00 -1.93 0.00 0.00 57.85 52.86 3hww n ARG 413 Cb 0.36 -1.59 -0.00 0.00 -1.16 0.00 0.00 32.46 30.07 3hww n ARG 413 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 3hww h GLY 414 N 0.96 -0.07 -1.24 -0.13 0.00 -1.91 -3.41 103.07 97.28 3hww h GLY 414 Ca -0.00 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3hww h GLY 414 CO 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 176.54 176.52 3hww n ALA 415 N -2.37 2.45 -3.62 3.60 0.00 -1.26 -5.01 120.51 114.30 3hww n ALA 415 Ca -0.01 -0.68 -0.26 0.00 0.00 0.00 0.00 53.44 52.50 3hww n ALA 415 Cb 0.03 -0.51 0.05 0.00 0.00 0.00 0.00 19.45 19.02 3hww n ALA 415 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hww n SER 416 N 0.83 -5.75 -4.77 0.00 7.64 -1.23 -4.93 113.62 105.42 3hww n SER 416 Ca 0.09 -0.58 -0.37 0.00 1.01 0.00 0.00 58.87 59.02 3hww n SER 416 Cb 0.38 -4.57 0.00 0.00 -1.01 0.00 0.00 64.21 59.02 3hww n SER 416 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3hww s GLY 417 N -3.20 2.81 -0.02 0.23 0.00 -1.26 -4.92 107.32 100.95 3hww s GLY 417 Ca 0.57 1.04 0.17 0.00 0.00 0.00 0.00 44.72 46.50 3hww s GLY 417 CO 0.70 1.52 1.42 0.29 0.00 0.00 0.00 173.10 177.04 3hww n ILE 418 N -0.60 0.94 0.58 0.90 -5.35 -1.26 -4.60 119.36 109.96 3hww n ILE 418 Ca 0.08 -0.80 0.12 0.00 -0.27 0.00 0.00 62.75 61.88 3hww n ILE 418 Cb 0.47 0.29 0.26 0.00 -1.74 0.00 0.00 39.64 38.91 3hww n ILE 418 CO 0.00 0.00 0.00 -2.24 -1.76 0.00 0.00 176.55 172.55 3hww h ASP 419 N 3.28 0.00 -0.34 7.28 2.03 -1.91 -3.41 116.42 123.35 3hww h ASP 419 Ca 0.00 -0.12 -0.23 0.00 -0.73 0.00 0.00 57.03 55.95 3hww h ASP 419 Cb 0.87 0.00 -0.38 0.00 -0.83 0.00 0.00 39.33 38.99 3hww h ASP 419 CO 0.05 0.06 -1.06 0.61 -1.03 0.00 0.00 179.24 177.87 3hww n GLY 420 N 1.32 1.67 0.11 7.15 0.00 -1.26 -4.46 105.19 109.72 3hww n GLY 420 Ca 0.04 -0.98 -0.17 0.00 0.00 0.00 0.00 46.02 44.91 3hww n GLY 420 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3hww h LEU 421 N 2.28 0.47 -0.02 0.99 3.38 -1.87 -0.87 115.31 119.67 3hww h LEU 421 Ca -0.17 -0.51 -0.00 0.00 0.09 0.00 0.00 57.88 57.28 3hww h LEU 421 Cb 1.36 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 3hww h LEU 421 CO 0.15 1.40 -0.00 -0.07 0.09 0.00 0.00 178.44 180.01 3hww h LEU 422 N 0.08 0.03 -1.17 1.67 3.38 -1.88 0.02 115.31 117.44 3hww h LEU 422 Ca -0.16 -0.34 -0.08 0.00 0.09 0.00 0.00 57.88 57.39 3hww h LEU 422 Cb 2.00 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.73 3hww h LEU 422 CO 0.21 0.36 -0.39 0.77 0.09 0.00 0.00 178.44 179.49 3hww h SER 423 N -0.30 0.00 -0.35 -0.43 4.64 -1.84 -0.34 113.55 114.93 3hww h SER 423 Ca 0.01 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.17 3hww h SER 423 Cb 0.35 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.43 3hww h SER 423 CO 0.00 0.39 -0.37 0.74 -0.87 0.00 0.00 176.83 176.72 3hww h THR 424 N 0.00 1.27 -0.92 2.95 2.02 -1.08 -2.55 112.91 114.60 3hww h THR 424 Ca -0.00 -1.54 0.03 0.00 0.77 0.00 0.00 66.41 65.67 3hww h THR 424 Cb 0.75 1.36 -0.05 0.00 -1.74 0.00 0.00 68.15 68.47 3hww h THR 424 CO 0.05 0.51 0.60 0.00 0.37 0.00 0.00 175.52 177.05 3hww h ALA 425 N 0.83 1.21 -0.57 6.16 0.00 0.11 -0.09 119.26 126.92 3hww h ALA 425 Ca 0.07 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 3hww h ALA 425 Cb 0.95 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 3hww h ALA 425 CO 0.09 0.47 0.13 0.00 0.00 0.00 0.00 179.25 179.95 3hww h ALA 426 N 1.37 1.17 -0.19 0.00 0.00 -0.98 -0.26 119.26 120.37 3hww h ALA 426 Ca 0.36 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 3hww h ALA 426 Cb -0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3hww h ALA 426 CO -0.12 0.57 -0.49 0.78 0.00 0.00 0.00 179.25 179.99 3hww h GLY 427 N 0.99 0.56 0.96 0.00 0.00 -0.84 -2.37 103.07 102.38 3hww h GLY 427 Ca 0.18 -0.60 -0.00 0.00 0.00 0.00 0.00 47.33 46.91 3hww h GLY 427 CO -0.00 0.54 0.06 -2.08 0.00 0.00 0.00 176.54 175.06 3hww h VAL 428 N 0.40 1.06 -0.48 4.60 2.07 -0.55 0.56 116.25 123.91 3hww h VAL 428 Ca 0.02 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.41 3hww h VAL 428 Cb 1.00 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 3hww h VAL 428 CO 0.09 0.05 0.27 -0.61 0.02 0.00 0.00 177.57 177.39 3hww h GLN 429 N 0.09 0.51 -0.10 1.57 -0.00 -1.04 -3.16 115.11 112.99 3hww h GLN 429 Ca 0.03 -0.03 -0.13 0.00 -0.00 0.00 0.00 58.65 58.52 3hww h GLN 429 Cb 0.04 -0.12 -0.01 0.00 0.00 0.00 0.00 27.48 27.39 3hww h GLN 429 CO -0.01 0.34 -0.53 0.00 0.00 0.00 0.00 178.83 178.63 3hww h ARG 430 N 0.53 0.27 -0.35 1.69 3.08 -1.14 -0.13 114.38 118.34 3hww h ARG 430 Ca 0.20 -0.16 0.03 0.00 0.07 0.00 0.00 59.98 60.12 3hww h ARG 430 Cb 0.07 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.10 3hww h ARG 430 CO -0.12 0.74 0.17 0.00 -1.07 0.00 0.00 179.97 179.69 3hww h ALA 431 N 1.23 0.43 0.00 0.04 0.00 -0.85 -3.29 119.26 116.82 3hww h ALA 431 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3hww h ALA 431 Cb 1.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3hww h ALA 431 CO 0.08 -0.21 -1.19 -1.13 0.00 0.00 0.00 179.25 176.80 3hww n SER 432 N -4.95 0.92 0.00 0.00 3.41 -1.22 -4.85 113.62 106.93 3hww n SER 432 Ca 0.01 -0.52 0.00 0.00 -0.26 0.00 0.00 58.87 58.10 3hww n SER 432 Cb 0.09 1.32 0.00 0.00 -0.26 0.00 0.00 64.21 65.36 3hww n SER 432 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hww n GLY 433 N 1.45 0.34 3.88 5.00 0.00 -0.06 -5.01 105.19 110.80 3hww n GLY 433 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3hww n GLY 433 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hww s LYS 434 N -0.68 3.76 0.49 1.61 1.02 -1.25 -4.64 119.74 120.05 3hww s LYS 434 Ca 0.00 0.30 -0.23 0.00 0.02 0.00 0.00 55.97 56.06 3hww s LYS 434 Cb 0.00 -2.53 -0.06 0.00 -0.52 0.00 0.00 37.83 34.72 3hww s LYS 434 CO 0.00 0.13 1.28 -1.25 -0.92 0.00 0.00 175.35 174.59 3hww s PRO 435 N -3.46 3.48 -0.00 -1.68 0.04 -1.26 -4.78 135.00 127.33 3hww s PRO 435 Ca 0.48 2.05 0.01 0.00 0.04 0.00 0.00 61.00 63.58 3hww s PRO 435 Cb -0.11 -2.38 -0.00 0.00 0.04 0.00 0.00 34.50 32.05 3hww s PRO 435 CO 0.27 -0.86 -0.03 0.99 0.04 0.00 0.00 177.00 177.42 3hww s THR 436 N -1.39 0.23 -0.19 1.26 2.01 -0.69 -2.41 115.64 114.46 3hww s THR 436 Ca 0.67 -0.15 -0.08 0.00 0.31 0.00 0.00 61.69 62.44 3hww s THR 436 Cb -0.36 -0.20 -0.04 0.00 0.01 0.00 0.00 72.50 71.91 3hww s THR 436 CO 0.43 0.05 0.07 -0.22 -0.69 0.00 0.00 174.62 174.26 3hww s LEU 437 N -0.11 3.82 -0.05 4.42 2.96 -0.39 -1.49 118.68 127.84 3hww s LEU 437 Ca 0.01 0.07 0.03 0.00 -0.22 0.00 0.00 54.13 54.01 3hww s LEU 437 Cb -0.01 -1.97 0.01 0.00 0.50 0.00 0.00 46.19 44.71 3hww s LEU 437 CO -0.00 0.15 -0.12 0.00 -1.32 0.00 0.00 176.35 175.06 3hww s ALA 438 N 0.50 1.21 -0.17 5.97 0.00 -0.15 0.19 121.76 129.30 3hww s ALA 438 Ca 0.04 -0.45 0.00 0.00 0.00 0.00 0.00 51.96 51.55 3hww s ALA 438 Cb -0.13 -0.49 0.01 0.00 0.00 0.00 0.00 23.12 22.52 3hww s ALA 438 CO 0.01 0.16 -0.17 0.42 0.00 0.00 0.00 175.76 176.17 3hww s ILE 439 N 0.41 2.40 0.07 0.00 1.01 -0.22 -0.76 121.20 124.10 3hww s ILE 439 Ca -0.09 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.72 3hww s ILE 439 Cb -0.13 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 40.28 3hww s ILE 439 CO 0.02 0.52 -0.04 0.54 0.00 0.00 0.00 174.94 175.98 3hww s VAL 440 N 1.12 0.39 0.50 2.92 0.11 0.66 -1.30 120.40 124.81 3hww s VAL 440 Ca 0.01 -1.81 -0.00 0.00 -2.93 0.00 0.00 61.98 57.24 3hww s VAL 440 Cb -0.14 -1.52 0.01 0.00 -1.53 0.00 0.00 36.38 33.20 3hww s VAL 440 CO -0.07 -0.93 0.74 -0.83 -3.33 0.00 0.00 175.10 170.68 3hww s GLY 441 N -2.89 1.65 0.15 6.54 0.00 -1.26 0.05 107.32 111.56 3hww s GLY 441 Ca 0.08 -1.09 -0.15 0.00 0.00 0.00 0.00 44.72 43.56 3hww s GLY 441 CO -0.08 -0.87 1.72 1.29 0.00 0.00 0.00 173.10 175.16 3hww h ASP 442 N 0.21 0.62 -0.35 1.64 2.03 -1.44 -1.22 116.42 117.92 3hww h ASP 442 Ca -0.45 -0.14 -0.04 0.00 -0.73 0.00 0.00 57.03 55.66 3hww h ASP 442 Cb 1.27 -0.16 -0.02 0.00 -0.83 0.00 0.00 39.33 39.59 3hww h ASP 442 CO 0.56 0.60 0.08 -0.07 -1.03 0.00 0.00 179.24 179.38 3hww h LEU 443 N 0.61 0.60 -0.18 0.15 -0.00 -1.95 0.37 115.31 114.91 3hww h LEU 443 Ca 0.16 -0.10 -0.02 0.00 -0.00 0.00 0.00 57.88 57.92 3hww h LEU 443 Cb 0.15 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 3hww h LEU 443 CO -0.02 0.61 0.02 0.28 -0.00 0.00 0.00 178.44 179.33 3hww h SER 444 N 0.62 0.30 -0.55 -0.43 0.02 -1.74 -1.17 113.55 110.60 3hww h SER 444 Ca 0.14 -0.28 -0.02 0.00 -0.84 0.00 0.00 61.79 60.79 3hww h SER 444 Cb 0.27 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 3hww h SER 444 CO 0.00 0.50 0.27 0.00 -1.14 0.00 0.00 176.83 176.46 3hww h ALA 445 N 0.81 1.40 -0.46 3.77 0.00 -0.66 -1.88 119.26 122.23 3hww h ALA 445 Ca 0.05 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 3hww h ALA 445 Cb 0.33 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3hww h ALA 445 CO 0.01 0.48 -0.11 -0.07 0.00 0.00 0.00 179.25 179.55 3hww h LEU 446 N 0.82 0.90 -0.48 0.00 3.38 -0.86 -2.46 115.31 116.61 3hww h LEU 446 Ca 0.20 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.83 3hww h LEU 446 Cb 0.09 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 3hww h LEU 446 CO -0.03 1.05 0.29 0.22 0.09 0.00 0.00 178.44 180.06 3hww h TYR 447 N 0.73 0.54 -0.84 1.13 5.03 -0.72 -2.99 116.97 119.85 3hww h TYR 447 Ca 0.12 0.02 -0.57 0.00 2.58 0.00 0.00 58.73 60.87 3hww h TYR 447 Cb 0.66 -0.18 -0.32 0.00 1.55 0.00 0.00 36.73 38.44 3hww h TYR 447 CO 0.05 0.32 0.17 -3.47 -1.32 0.00 0.00 178.16 173.90 3hww n ASP 448 N -4.81 5.95 -0.27 -2.11 2.03 -0.75 -4.80 116.55 111.78 3hww n ASP 448 Ca 0.03 -3.77 -0.06 0.00 0.52 0.00 0.00 54.79 51.51 3hww n ASP 448 Cb 0.06 -0.71 0.06 0.00 -0.72 0.00 0.00 41.12 39.81 3hww n ASP 448 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 3hww h LEU 449 N 1.90 0.99 0.00 -2.67 5.85 -1.28 -1.22 115.31 118.88 3hww h LEU 449 Ca 0.49 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 59.07 3hww h LEU 449 Cb 1.28 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 42.05 3hww h LEU 449 CO 1.15 0.85 0.00 -0.46 -0.34 0.00 0.00 178.44 179.64 3hww n ASN 450 N -4.38 0.00 -0.17 1.25 0.23 -1.26 -1.67 115.26 109.26 3hww n ASN 450 Ca 0.07 0.22 0.14 0.00 -0.53 0.00 0.00 54.58 54.48 3hww n ASN 450 Cb 0.14 -0.34 0.76 0.00 -2.08 0.00 0.00 39.78 38.25 3hww n ASN 450 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3hww n ALA 451 N -1.34 2.64 0.24 -2.53 0.00 -0.46 -2.78 120.51 116.28 3hww n ALA 451 Ca 0.05 -0.28 0.14 0.00 0.00 0.00 0.00 53.44 53.36 3hww n ALA 451 Cb 0.11 -1.37 0.82 0.00 0.00 0.00 0.00 19.45 19.00 3hww n ALA 451 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3hww h LEU 452 N 0.79 0.00 -1.71 0.00 3.38 -1.49 -0.74 115.31 115.54 3hww h LEU 452 Ca 0.00 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 3hww h LEU 452 Cb 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3hww h LEU 452 CO 0.00 0.00 -0.15 0.00 0.09 0.00 0.00 178.44 178.38 3hww h ALA 453 N 1.91 1.72 0.18 1.53 0.00 -1.77 -0.31 119.26 122.52 3hww h ALA 453 Ca 0.04 -0.14 -0.25 0.00 0.00 0.00 0.00 54.91 54.56 3hww h ALA 453 Cb 0.21 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.00 3hww h ALA 453 CO -0.00 0.19 -1.08 -0.07 0.00 0.00 0.00 179.25 178.30 3hww h LEU 454 N 0.00 0.64 -2.46 0.00 3.38 -1.40 -3.32 115.31 112.15 3hww h LEU 454 Ca -0.00 -0.93 -0.00 0.00 0.09 0.00 0.00 57.88 57.04 3hww h LEU 454 Cb 0.28 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 3hww h LEU 454 CO 0.02 1.52 -0.02 -0.07 0.09 0.00 0.00 178.44 179.98 3hww h LEU 455 N -0.13 0.00 -1.89 1.67 3.38 -1.00 0.71 115.31 118.06 3hww h LEU 455 Ca -0.18 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.85 3hww h LEU 455 Cb 1.84 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.57 3hww h LEU 455 CO 0.20 0.02 0.22 -0.09 0.09 0.00 0.00 178.44 178.88 3hww h ARG 456 N 0.00 0.14 -3.61 1.13 2.43 -1.16 -3.35 114.38 109.95 3hww h ARG 456 Ca -0.00 -0.01 -0.68 0.00 -0.81 0.00 0.00 59.98 58.48 3hww h ARG 456 Cb 0.15 -0.03 -0.36 0.00 -0.42 0.00 0.00 29.97 29.31 3hww h ARG 456 CO 0.00 0.09 -0.43 -0.65 -1.51 0.00 0.00 179.97 177.47 3hww s GLN 457 N -5.16 2.41 0.14 0.20 -1.52 0.24 -4.71 119.66 111.26 3hww s GLN 457 Ca -0.06 -2.51 0.06 0.00 -1.95 0.00 0.00 55.36 50.90 3hww s GLN 457 Cb 0.18 -3.64 -0.04 0.00 -0.22 0.00 0.00 33.01 29.30 3hww s GLN 457 CO 0.71 -1.15 -0.14 0.14 -0.25 0.00 0.00 175.29 174.60 3hww s VAL 458 N -0.05 1.41 -2.78 1.09 -7.23 -1.26 -5.00 120.40 106.59 3hww s VAL 458 Ca 0.16 -1.83 0.25 0.00 -1.81 0.00 0.00 61.98 58.76 3hww s VAL 458 Cb -0.21 -1.65 0.34 0.00 0.56 0.00 0.00 36.38 35.41 3hww s VAL 458 CO -0.03 -0.46 1.46 -1.54 -0.31 0.00 0.00 175.10 174.22 3hww n SER 459 N 0.33 2.41 -3.51 4.85 3.41 -1.26 -4.65 113.62 115.20 3hww n SER 459 Ca -0.14 -1.80 -0.12 0.00 -0.26 0.00 0.00 58.87 56.54 3hww n SER 459 Cb 0.58 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 64.48 3hww n SER 459 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hww s ALA 460 N -1.98 -1.78 0.39 7.33 0.00 -1.26 -4.83 121.76 119.62 3hww s ALA 460 Ca 0.32 1.12 -0.26 0.00 0.00 0.00 0.00 51.96 53.14 3hww s ALA 460 Cb 0.20 0.14 -0.11 0.00 0.00 0.00 0.00 23.12 23.36 3hww s ALA 460 CO 0.31 -0.53 1.27 -0.35 0.00 0.00 0.00 175.76 176.47 3hww n PRO 461 N 0.29 2.01 -4.72 0.00 -0.04 -1.20 -4.31 135.00 127.01 3hww n PRO 461 Ca -0.14 0.71 -0.24 0.00 -0.04 0.00 0.00 63.50 63.79 3hww n PRO 461 Cb 0.60 -2.36 -0.16 0.00 -0.04 0.00 0.00 33.50 31.55 3hww n PRO 461 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3hww s LEU 462 N -1.38 1.96 -0.14 1.53 0.20 -0.77 -1.70 118.68 118.37 3hww s LEU 462 Ca 0.59 -0.29 0.02 0.00 0.69 0.00 0.00 54.13 55.13 3hww s LEU 462 Cb -0.53 -0.83 0.00 0.00 -0.43 0.00 0.00 46.19 44.40 3hww s LEU 462 CO 0.60 0.16 -0.19 -0.69 -0.29 0.00 0.00 176.35 175.94 3hww s VAL 463 N -0.16 2.33 -0.39 1.68 1.01 -0.55 -0.76 120.40 123.56 3hww s VAL 463 Ca 0.02 -0.89 -0.10 0.00 0.00 0.00 0.00 61.98 61.01 3hww s VAL 463 Cb -0.08 -1.95 0.05 0.00 0.00 0.00 0.00 36.38 34.39 3hww s VAL 463 CO 0.00 0.54 0.21 -0.22 0.00 0.00 0.00 175.10 175.63 3hww s LEU 464 N 0.76 4.83 -0.26 3.92 2.96 -0.26 -0.98 118.68 129.65 3hww s LEU 464 Ca -0.07 -1.19 -0.25 0.00 -0.22 0.00 0.00 54.13 52.39 3hww s LEU 464 Cb -0.16 -1.99 -0.00 0.00 0.50 0.00 0.00 46.19 44.54 3hww s LEU 464 CO -0.00 -0.43 0.87 -0.63 -1.32 0.00 0.00 176.35 174.83 3hww s ILE 465 N 1.49 4.79 -0.27 6.68 1.01 0.06 -0.95 121.20 134.01 3hww s ILE 465 Ca 0.02 1.58 -0.08 0.00 0.00 0.00 0.00 60.65 62.17 3hww s ILE 465 Cb -0.21 -4.17 -0.03 0.00 0.01 0.00 0.00 42.46 38.07 3hww s ILE 465 CO 0.05 -0.14 0.10 -0.69 0.00 0.00 0.00 174.94 174.26 3hww s VAL 466 N 2.96 4.47 -0.60 2.92 1.01 -0.14 -0.24 120.40 130.79 3hww s VAL 466 Ca 0.36 -0.20 -0.18 0.00 0.00 0.00 0.00 61.98 61.97 3hww s VAL 466 Cb -0.15 -3.14 0.12 0.00 0.00 0.00 0.00 36.38 33.21 3hww s VAL 466 CO 0.08 0.27 0.65 -0.69 0.00 0.00 0.00 175.10 175.41 3hww s VAL 467 N 1.63 4.99 -0.37 2.92 1.01 0.11 -1.96 120.40 128.73 3hww s VAL 467 Ca 0.06 -1.26 -0.14 0.00 0.00 0.00 0.00 61.98 60.64 3hww s VAL 467 Cb -0.16 -4.45 -0.00 0.00 0.00 0.00 0.00 36.38 31.78 3hww s VAL 467 CO 0.05 -1.05 0.29 0.21 0.00 0.00 0.00 175.10 174.60 3hww s ASN 468 N 3.54 6.10 -0.29 3.32 3.84 0.01 -1.07 114.94 130.39 3hww s ASN 468 Ca 0.09 -0.58 0.08 0.00 0.21 0.00 0.00 52.86 52.66 3hww s ASN 468 Cb -0.25 -2.16 0.46 0.00 -0.55 0.00 0.00 41.25 38.75 3hww s ASN 468 CO 0.04 -0.35 1.31 -0.46 -2.79 0.00 0.00 177.10 174.86 3hww n ASN 469 N 5.19 3.42 -4.46 -4.21 0.23 -1.26 -0.09 115.26 114.09 3hww n ASN 469 Ca -0.11 -3.82 -0.56 0.00 -0.53 0.00 0.00 54.58 49.56 3hww n ASN 469 Cb 0.49 -0.51 -0.09 0.00 -2.08 0.00 0.00 39.78 37.59 3hww n ASN 469 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 3hww n ASN 470 N -0.96 1.69 -0.20 0.53 2.04 -1.26 -4.09 115.26 113.01 3hww n ASN 470 Ca 0.34 0.69 -0.09 0.00 -0.44 0.00 0.00 54.58 55.08 3hww n ASN 470 Cb 0.87 -1.10 0.02 0.00 -2.53 0.00 0.00 39.78 37.04 3hww n ASN 470 CO 0.00 0.00 0.00 1.23 -0.44 0.00 0.00 177.26 178.05 3hww h GLY 471 N 9.75 1.06 0.00 4.83 0.00 -1.98 -3.41 103.07 113.32 3hww h GLY 471 Ca -0.27 -0.74 0.00 0.00 0.00 0.00 0.00 47.33 46.32 3hww h GLY 471 CO 1.03 0.69 0.00 -0.18 0.00 0.00 0.00 176.54 178.07 3hww n GLN 493 N -4.28 0.00 -3.16 4.80 7.27 -1.26 -5.05 117.38 115.71 3hww n GLN 493 Ca 0.02 0.00 -0.14 0.00 0.07 0.00 0.00 57.00 56.95 3hww n GLN 493 Cb 0.30 0.00 0.07 0.00 2.41 0.00 0.00 30.24 33.02 3hww n GLN 493 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 3hww n ASN 494 N 1.64 -5.89 -4.89 1.69 5.15 -1.26 -5.07 115.26 106.61 3hww n ASN 494 Ca 0.00 -0.65 -0.32 0.00 -0.60 0.00 0.00 54.58 53.01 3hww n ASN 494 Cb 0.00 -4.90 -0.05 0.00 -0.53 0.00 0.00 39.78 34.30 3hww n ASN 494 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3hww s VAL 495 N -3.36 5.17 0.37 3.44 1.01 -1.26 -5.14 120.40 120.62 3hww s VAL 495 Ca 0.38 0.07 0.06 0.00 0.00 0.00 0.00 61.98 62.49 3hww s VAL 495 Cb -0.05 -3.62 -0.07 0.00 0.00 0.00 0.00 36.38 32.63 3hww s VAL 495 CO 0.69 0.07 0.03 -1.00 0.00 0.00 0.00 175.10 174.89 3hww s HIS 496 N -1.62 2.28 -1.24 5.22 3.76 -1.26 -4.95 115.29 117.46 3hww s HIS 496 Ca 0.40 -0.79 0.13 0.00 -0.15 0.00 0.00 55.06 54.65 3hww s HIS 496 Cb -0.12 -1.56 0.32 0.00 1.11 0.00 0.00 32.58 32.33 3hww s HIS 496 CO 0.24 0.26 1.24 1.19 -0.85 0.00 0.00 174.74 176.82 3hww n PHE 497 N -0.84 0.46 -0.12 1.40 3.01 -1.26 -4.60 117.46 115.51 3hww n PHE 497 Ca -0.04 -0.41 -0.09 0.00 1.01 0.00 0.00 57.45 57.92 3hww n PHE 497 Cb 0.67 -0.02 -0.01 0.00 -0.01 0.00 0.00 39.48 40.11 3hww n PHE 497 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 3hww h GLU 498 N 2.52 0.52 -0.16 -1.08 4.81 -1.98 -0.75 114.58 118.46 3hww h GLU 498 Ca 0.00 -0.09 -0.06 0.00 -0.13 0.00 0.00 59.36 59.08 3hww h GLU 498 Cb 0.74 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 3hww h GLU 498 CO 0.00 0.50 -0.19 0.45 -0.73 0.00 0.00 179.01 179.05 3hww h HIS 499 N 0.43 0.29 0.20 0.92 3.86 -1.98 0.22 115.15 119.09 3hww h HIS 499 Ca 0.12 -0.04 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 3hww h HIS 499 Cb 0.16 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.56 3hww h HIS 499 CO -0.01 0.45 -0.10 0.00 0.86 0.00 0.00 177.93 179.13 3hww h ALA 500 N 1.56 -0.27 -0.48 2.45 0.00 -1.78 0.47 119.26 121.21 3hww h ALA 500 Ca 0.05 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 54.89 3hww h ALA 500 Cb 0.48 0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.28 3hww h ALA 500 CO 0.03 -0.52 -0.16 0.00 0.00 0.00 0.00 179.25 178.60 3hww h ALA 501 N 0.18 0.25 -0.54 0.00 0.00 -1.02 -2.54 119.26 115.59 3hww h ALA 501 Ca -0.03 0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3hww h ALA 501 Cb 0.41 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3hww h ALA 501 CO 0.05 -0.49 -0.04 0.00 0.00 0.00 0.00 179.25 178.77 3hww h ALA 502 N 1.37 0.91 -0.93 0.00 0.00 -0.29 -1.89 119.26 118.44 3hww h ALA 502 Ca 0.23 -0.31 0.23 0.00 0.00 0.00 0.00 54.91 55.06 3hww h ALA 502 Cb 0.41 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 17.93 3hww h ALA 502 CO -0.52 0.64 0.62 1.98 0.00 0.00 0.00 179.25 181.97 3hww h MET 503 N 0.87 0.31 -0.25 0.00 4.05 0.37 -2.26 114.93 118.01 3hww h MET 503 Ca 0.15 -0.02 0.00 0.00 -0.28 0.00 0.00 59.70 59.55 3hww h MET 503 Cb 0.57 -0.07 0.00 0.00 -0.80 0.00 0.00 31.60 31.30 3hww h MET 503 CO 0.03 0.20 0.00 1.19 0.23 0.00 0.00 176.91 178.57 3hww n PHE 504 N -4.48 0.69 -3.76 1.39 3.72 -0.96 -4.98 117.46 109.08 3hww n PHE 504 Ca 0.20 -0.77 -0.22 0.00 -0.05 0.00 0.00 57.45 56.61 3hww n PHE 504 Cb 0.79 -0.21 0.02 0.00 -0.94 0.00 0.00 39.48 39.14 3hww n PHE 504 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3hww n GLU 505 N -0.31 -4.53 -4.34 -1.08 1.02 -0.85 -4.89 120.64 105.66 3hww n GLU 505 Ca 0.17 0.57 -0.33 0.00 -0.02 0.00 0.00 57.16 57.55 3hww n GLU 505 Cb 0.71 -5.02 -0.09 0.00 -0.02 0.00 0.00 31.44 27.02 3hww n GLU 505 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3hww s LEU 506 N -6.74 3.52 0.47 -4.62 1.43 -0.75 -5.03 118.68 106.95 3hww s LEU 506 Ca 0.00 0.05 -0.24 0.00 -1.03 0.00 0.00 54.13 52.92 3hww s LEU 506 Cb -0.00 -1.93 -0.08 0.00 0.03 0.00 0.00 46.19 44.21 3hww s LEU 506 CO 0.83 0.32 1.29 0.29 0.23 0.00 0.00 176.35 179.31 3hww n LYS 507 N 1.71 1.83 -3.87 1.70 4.01 -1.25 -4.40 118.16 117.89 3hww n LYS 507 Ca -0.16 0.66 -0.13 0.00 -0.51 0.00 0.00 58.31 58.17 3hww n LYS 507 Cb 0.53 -2.45 -0.15 0.00 -0.51 0.00 0.00 35.03 32.45 3hww n LYS 507 CO 0.00 0.00 0.00 -0.47 -1.11 0.00 0.00 177.40 175.82 3hww s TYR 508 N -1.25 0.06 -0.01 2.13 5.04 -1.26 -0.16 117.35 121.90 3hww s TYR 508 Ca 0.65 0.02 0.01 0.00 -2.44 0.00 0.00 57.07 55.31 3hww s TYR 508 Cb -0.47 -0.10 0.01 0.00 0.35 0.00 0.00 41.96 41.74 3hww s TYR 508 CO 0.55 -0.03 -0.03 -1.01 -1.34 0.00 0.00 175.55 173.69 3hww s HIS 509 N 0.31 0.33 -0.81 4.97 3.76 0.10 -4.98 115.29 118.97 3hww s HIS 509 Ca -0.03 -0.05 0.02 0.00 -0.15 0.00 0.00 55.06 54.85 3hww s HIS 509 Cb -0.04 -0.27 0.24 0.00 1.11 0.00 0.00 32.58 33.62 3hww s HIS 509 CO -0.01 -0.04 0.86 -2.13 -0.85 0.00 0.00 174.74 172.57 3hww n ARG 510 N 3.29 2.82 -1.75 1.40 0.63 -1.26 -0.20 116.66 121.60 3hww n ARG 510 Ca -0.16 -4.57 -0.42 0.00 -0.92 0.00 0.00 57.85 51.78 3hww n ARG 510 Cb 0.57 -2.36 -0.01 0.00 0.45 0.00 0.00 32.46 31.11 3hww n ARG 510 CO 0.00 0.00 0.00 -0.35 -2.51 0.00 0.00 177.63 174.77 3hww n PRO 511 N 1.53 2.57 0.00 -0.14 -0.04 -1.25 -4.93 135.00 132.73 3hww n PRO 511 Ca 0.25 0.91 0.07 0.00 -0.04 0.00 0.00 63.50 64.69 3hww n PRO 511 Cb 0.37 -2.63 0.00 0.00 -0.04 0.00 0.00 33.50 31.21 3hww n PRO 511 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3hww n GLN 512 N 1.15 1.77 -1.23 0.54 6.02 -1.26 -4.74 117.38 119.63 3hww n GLN 512 Ca 0.05 -0.77 -0.00 0.00 -0.01 0.00 0.00 57.00 56.27 3hww n GLN 512 Cb 0.37 -1.22 0.00 0.00 1.02 0.00 0.00 30.24 30.41 3hww n GLN 512 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 3hww n ASN 513 N -0.12 -0.06 0.18 1.08 0.23 -1.26 -5.02 115.26 110.29 3hww n ASN 513 Ca 0.06 -1.05 0.04 0.00 -0.53 0.00 0.00 54.58 53.10 3hww n ASN 513 Cb 0.30 0.10 0.32 0.00 -2.08 0.00 0.00 39.78 38.42 3hww n ASN 513 CO 0.00 0.00 0.00 -0.50 -0.93 0.00 0.00 177.26 175.83 3hww h TRP 514 N 1.03 0.00 -0.00 -2.53 4.06 -1.95 -1.39 115.95 115.17 3hww h TRP 514 Ca -0.01 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.94 3hww h TRP 514 Cb 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.20 3hww h TRP 514 CO 0.00 0.42 -0.01 1.96 -3.56 0.00 0.00 178.44 177.25 3hww h GLN 515 N 0.00 0.01 -0.90 0.49 4.20 -1.99 -0.80 115.11 116.12 3hww h GLN 515 Ca -0.00 -0.01 0.12 0.00 0.06 0.00 0.00 58.65 58.82 3hww h GLN 515 Cb 0.87 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.58 3hww h GLN 515 CO 0.06 0.74 0.58 0.93 -0.67 0.00 0.00 178.83 180.46 3hww h GLU 516 N -0.72 0.77 -0.32 1.46 5.08 -1.95 -2.03 114.58 116.87 3hww h GLU 516 Ca -0.00 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 3hww h GLU 516 Cb 0.74 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 3hww h GLU 516 CO 0.00 0.51 0.10 1.25 -1.00 0.00 0.00 179.01 179.87 3hww h LEU 517 N 0.80 0.47 -1.46 1.33 5.85 -1.19 -1.95 115.31 119.16 3hww h LEU 517 Ca 0.44 -0.20 -0.06 0.00 0.84 0.00 0.00 57.88 58.90 3hww h LEU 517 Cb 0.58 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 3hww h LEU 517 CO -0.20 0.55 -0.27 -0.33 -0.34 0.00 0.00 178.44 177.84 3hww h GLU 518 N 0.36 0.00 0.00 1.25 5.08 -0.72 -2.83 114.58 117.73 3hww h GLU 518 Ca 0.10 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.46 3hww h GLU 518 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3hww h GLU 518 CO -0.00 0.27 -0.00 1.15 -1.00 0.00 0.00 179.01 179.42 3hww h THR 519 N 0.00 1.78 -0.99 1.13 2.02 -1.33 -2.82 112.91 112.71 3hww h THR 519 Ca -0.00 -2.30 0.32 0.00 0.77 0.00 0.00 66.41 65.20 3hww h THR 519 Cb 0.55 3.35 -0.15 0.00 -1.74 0.00 0.00 68.15 70.15 3hww h THR 519 CO 0.04 0.60 0.51 0.00 0.37 0.00 0.00 175.52 177.03 3hww h ALA 520 N 0.02 1.88 -0.25 6.16 0.00 -1.27 -1.66 119.26 124.15 3hww h ALA 520 Ca -0.00 0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 3hww h ALA 520 Cb 0.98 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3hww h ALA 520 CO 0.00 -0.61 -0.36 0.74 0.00 0.00 0.00 179.25 179.02 3hww h PHE 521 N 0.26 0.84 -0.17 0.00 0.04 -1.44 -2.71 116.94 113.76 3hww h PHE 521 Ca 0.73 -0.28 0.02 0.00 2.80 0.00 0.00 57.97 61.23 3hww h PHE 521 Cb 1.68 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 39.64 3hww h PHE 521 CO -0.05 1.04 0.06 0.00 -0.60 0.00 0.00 178.31 178.76 3hww h ALA 522 N 0.66 0.19 -0.74 2.45 0.00 -1.04 -0.35 119.26 120.42 3hww h ALA 522 Ca 0.03 0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.10 3hww h ALA 522 Cb 0.95 -0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.59 3hww h ALA 522 CO 0.08 -0.37 -0.20 0.22 0.00 0.00 0.00 179.25 178.99 3hww h ASP 523 N 0.15 -0.73 -0.49 0.00 3.58 -1.63 -3.20 116.42 114.09 3hww h ASP 523 Ca 0.07 0.23 -0.03 0.00 0.42 0.00 0.00 57.03 57.72 3hww h ASP 523 Cb 0.04 0.48 -0.03 0.00 1.72 0.00 0.00 39.33 41.54 3hww h ASP 523 CO -0.07 -0.25 0.21 0.00 -2.88 0.00 0.00 179.24 176.24 3hww h ALA 524 N 1.70 1.36 0.00 -0.78 0.00 -0.72 -2.99 119.26 117.83 3hww h ALA 524 Ca 0.35 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3hww h ALA 524 Cb 0.55 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3hww h ALA 524 CO -0.77 0.48 0.00 0.91 0.00 0.00 0.00 179.25 179.87 3hww n TRP 525 N -4.33 0.00 -0.01 0.00 5.03 -1.01 -4.19 117.44 112.92 3hww n TRP 525 Ca 0.04 0.00 -0.09 0.00 3.03 0.00 0.00 57.50 60.48 3hww n TRP 525 Cb 0.16 0.00 -0.14 0.00 -1.03 0.00 0.00 31.31 30.31 3hww n TRP 525 CO 0.00 0.00 0.00 0.07 -0.03 0.00 0.00 177.69 177.73 3hww h ARG 526 N 0.00 0.01 -4.96 -0.99 0.11 -1.71 -3.46 114.38 103.38 3hww h ARG 526 Ca 0.00 -0.02 -0.32 0.00 0.10 0.00 0.00 59.98 59.74 3hww h ARG 526 Cb 0.00 0.01 -0.18 0.00 1.11 0.00 0.00 29.97 30.90 3hww h ARG 526 CO 0.00 0.57 -0.74 0.95 0.10 0.00 0.00 179.97 180.85 3hww s THR 527 N -2.61 0.92 -1.30 0.08 -4.23 -1.26 -4.99 115.64 102.25 3hww s THR 527 Ca -0.05 -1.56 -0.15 0.00 -1.18 0.00 0.00 61.69 58.76 3hww s THR 527 Cb 0.08 -1.26 -0.03 0.00 1.34 0.00 0.00 72.50 72.63 3hww s THR 527 CO 0.82 -0.51 2.26 -0.81 -0.54 0.00 0.00 174.62 175.84 3hww n PRO 528 N 0.71 2.64 -4.21 3.99 -0.04 -1.26 -3.27 135.00 133.56 3hww n PRO 528 Ca -0.17 -2.32 -0.12 0.00 -0.04 0.00 0.00 63.50 60.85 3hww n PRO 528 Cb 0.57 -3.10 -0.10 0.00 -0.04 0.00 0.00 33.50 30.83 3hww n PRO 528 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3hww s THR 529 N 3.46 0.42 -0.17 0.52 -4.23 -1.26 -4.37 115.64 110.01 3hww s THR 529 Ca 0.52 -1.95 -0.09 0.00 -1.18 0.00 0.00 61.69 58.99 3hww s THR 529 Cb 0.14 -2.12 -0.05 0.00 1.34 0.00 0.00 72.50 71.82 3hww s THR 529 CO -0.04 -0.44 0.13 -0.89 -0.54 0.00 0.00 174.62 172.84 3hww s THR 530 N -3.83 5.45 -0.09 3.99 2.01 -1.25 -1.86 115.64 120.06 3hww s THR 530 Ca 0.25 0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.45 3hww s THR 530 Cb 0.07 -3.44 -0.03 0.00 0.01 0.00 0.00 72.50 69.11 3hww s THR 530 CO 0.04 0.52 -0.07 -0.89 -0.69 0.00 0.00 174.62 173.52 3hww s THR 531 N -0.23 3.63 -0.30 -0.82 2.01 0.06 -3.76 115.64 116.24 3hww s THR 531 Ca 0.11 -0.49 -0.15 0.00 0.31 0.00 0.00 61.69 61.47 3hww s THR 531 Cb -0.11 -2.51 -0.03 0.00 0.01 0.00 0.00 72.50 69.86 3hww s THR 531 CO 0.01 0.57 0.39 -0.69 -0.69 0.00 0.00 174.62 174.21 3hww s VAL 532 N -0.46 5.15 -0.28 3.82 1.01 0.77 -1.10 120.40 129.31 3hww s VAL 532 Ca 0.07 0.43 -0.06 0.00 0.00 0.00 0.00 61.98 62.42 3hww s VAL 532 Cb -0.12 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.50 3hww s VAL 532 CO 0.02 0.05 0.05 -0.63 0.00 0.00 0.00 175.10 174.59 3hww s ILE 533 N 2.10 3.82 -0.36 2.22 1.01 -0.12 -0.72 121.20 129.15 3hww s ILE 533 Ca 0.15 -0.65 -0.11 0.00 0.00 0.00 0.00 60.65 60.04 3hww s ILE 533 Cb -0.16 -2.92 0.01 0.00 0.01 0.00 0.00 42.46 39.40 3hww s ILE 533 CO 0.11 0.16 0.20 -0.70 0.00 0.00 0.00 174.94 174.70 3hww s GLU 534 N 1.49 3.02 -0.48 2.79 2.12 0.72 -0.97 118.70 127.40 3hww s GLU 534 Ca 0.03 -0.95 -0.23 0.00 0.36 0.00 0.00 54.97 54.18 3hww s GLU 534 Cb -0.17 -3.71 0.03 0.00 0.26 0.00 0.00 34.13 30.55 3hww s GLU 534 CO 0.01 -0.61 0.82 -1.64 -0.54 0.00 0.00 175.26 173.30 3hww s MET 535 N 1.59 3.37 -0.29 4.30 -1.94 -0.83 -3.93 119.30 121.57 3hww s MET 535 Ca 0.03 -0.20 -0.21 0.00 -1.71 0.00 0.00 55.69 53.60 3hww s MET 535 Cb -0.18 -3.98 -0.01 0.00 2.01 0.00 0.00 34.83 32.67 3hww s MET 535 CO 0.07 -1.23 0.68 0.08 -0.01 0.00 0.00 175.02 174.62 3hww s VAL 536 N 3.43 4.90 0.47 -6.03 1.01 -1.26 -0.81 120.40 122.11 3hww s VAL 536 Ca 0.29 1.05 0.02 0.00 0.00 0.00 0.00 61.98 63.35 3hww s VAL 536 Cb -0.13 -4.03 -0.01 0.00 0.00 0.00 0.00 36.38 32.21 3hww s VAL 536 CO 0.21 -0.12 0.08 0.68 0.00 0.00 0.00 175.10 175.95 3hww s VAL 537 N 2.69 0.75 0.32 2.92 -7.23 0.88 -4.96 120.40 115.76 3hww s VAL 537 Ca 0.28 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 58.19 3hww s VAL 537 Cb -0.15 -2.18 -0.10 0.00 0.56 0.00 0.00 36.38 34.52 3hww s VAL 537 CO 0.11 0.00 0.94 0.21 -0.31 0.00 0.00 175.10 176.05 3hww s ASN 538 N -3.75 7.34 0.00 4.85 2.47 -1.26 -4.15 114.94 120.43 3hww s ASN 538 Ca 0.13 1.83 0.16 0.00 0.42 0.00 0.00 52.86 55.39 3hww s ASN 538 Cb 0.01 -2.58 0.94 0.00 -1.45 0.00 0.00 41.25 38.17 3hww s ASN 538 CO 0.09 -0.06 1.39 -0.90 -3.72 0.00 0.00 177.10 173.90 3hww n ASP 539 N 0.58 0.00 0.00 -4.21 3.85 -1.26 -4.14 116.55 111.37 3hww n ASP 539 Ca 0.02 -0.85 0.00 0.00 -0.71 0.00 0.00 54.79 53.25 3hww n ASP 539 Cb 0.50 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.27 3hww n ASP 539 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 3hww n THR 540 N -0.87 0.00 -0.17 2.12 -2.24 -1.26 -4.82 114.28 107.04 3hww n THR 540 Ca 0.12 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.88 3hww n THR 540 Cb 0.05 -0.43 0.07 0.00 -2.10 0.00 0.00 70.33 67.93 3hww n THR 540 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3hww h ASP 541 N 0.00 -0.15 -0.07 3.42 3.32 -2.00 -0.78 116.42 120.16 3hww h ASP 541 Ca 0.00 0.12 0.03 0.00 0.02 0.00 0.00 57.03 57.20 3hww h ASP 541 Cb 0.49 0.19 -0.06 0.00 0.22 0.00 0.00 39.33 40.17 3hww h ASP 541 CO 0.00 -0.05 -0.50 1.23 -1.72 0.00 0.00 179.24 178.20 3hww h GLY 542 N 0.16 -0.98 0.66 2.75 0.00 -1.90 0.05 103.07 103.81 3hww h GLY 542 Ca 0.27 0.62 0.04 0.00 0.00 0.00 0.00 47.33 48.26 3hww h GLY 542 CO -0.41 -0.22 0.02 0.00 0.00 0.00 0.00 176.54 175.93 3hww h ALA 543 N -0.22 0.24 -0.06 3.60 0.00 -1.80 -3.05 119.26 117.97 3hww h ALA 543 Ca 0.04 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3hww h ALA 543 Cb 0.69 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 3hww h ALA 543 CO -0.39 -0.40 -0.47 0.37 0.00 0.00 0.00 179.25 178.36 3hww h GLN 544 N 0.11 -0.56 -0.67 0.00 4.15 -0.86 -0.37 115.11 116.91 3hww h GLN 544 Ca 0.12 0.04 0.11 0.00 0.77 0.00 0.00 58.65 59.69 3hww h GLN 544 Cb 0.14 0.13 -0.08 0.00 0.21 0.00 0.00 27.48 27.87 3hww h GLN 544 CO -0.18 -0.37 0.26 1.15 -1.93 0.00 0.00 178.83 177.75 3hww h THR 545 N -0.58 0.73 -0.38 2.39 2.02 -1.00 0.39 112.91 116.47 3hww h THR 545 Ca 0.05 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 67.08 3hww h THR 545 Cb 0.67 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 3hww h THR 545 CO -0.37 0.08 0.22 0.25 0.37 0.00 0.00 175.52 176.07 3hww h LEU 546 N 0.43 0.46 -0.95 2.58 5.85 -1.38 -1.41 115.31 120.89 3hww h LEU 546 Ca 0.35 -0.06 0.02 0.00 0.84 0.00 0.00 57.88 59.03 3hww h LEU 546 Cb 0.47 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 41.33 3hww h LEU 546 CO -0.35 0.39 0.62 -0.61 -0.34 0.00 0.00 178.44 178.15 3hww h GLN 547 N 0.49 1.21 -0.03 1.25 4.15 0.78 -0.85 115.11 122.12 3hww h GLN 547 Ca 0.14 -0.07 -0.12 0.00 0.77 0.00 0.00 58.65 59.36 3hww h GLN 547 Cb 0.02 -0.27 -0.02 0.00 0.21 0.00 0.00 27.48 27.42 3hww h GLN 547 CO -0.02 0.80 -0.54 1.96 -1.93 0.00 0.00 178.83 179.10 3hww h GLN 548 N 1.25 0.07 -0.11 1.69 4.20 -1.05 -2.73 115.11 118.42 3hww h GLN 548 Ca 0.36 -0.04 -0.16 0.00 0.06 0.00 0.00 58.65 58.87 3hww h GLN 548 Cb -0.09 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.70 3hww h GLN 548 CO -0.09 0.59 -0.54 -0.07 -0.67 0.00 0.00 178.83 178.05 3hww h LEU 549 N 0.05 0.67 -0.12 1.46 3.38 -0.59 -2.01 115.31 118.16 3hww h LEU 549 Ca -0.00 -0.64 0.02 0.00 0.09 0.00 0.00 57.88 57.35 3hww h LEU 549 Cb 0.97 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 3hww h LEU 549 CO 0.07 1.20 -0.27 0.25 0.09 0.00 0.00 178.44 179.78 3hww h LEU 550 N 0.18 -0.88 -0.50 1.67 6.46 -1.15 0.23 115.31 121.33 3hww h LEU 550 Ca -0.03 0.11 0.05 0.00 -0.12 0.00 0.00 57.88 57.89 3hww h LEU 550 Cb 1.18 0.35 -0.08 0.00 -0.73 0.00 0.00 40.66 41.37 3hww h LEU 550 CO 0.11 -0.22 -0.52 0.00 -0.62 0.00 0.00 178.44 177.19 3hww h ALA 551 N -0.80 -0.69 -0.53 1.25 0.00 -1.57 0.22 119.26 117.13 3hww h ALA 551 Ca 0.02 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.01 3hww h ALA 551 Cb 0.32 1.15 -0.09 0.00 0.00 0.00 0.00 17.79 19.18 3hww h ALA 551 CO -0.25 -0.97 -0.53 0.37 0.00 0.00 0.00 179.25 177.88 3hww h GLN 552 N -0.28 -0.26 0.00 0.00 4.15 -1.22 -1.81 115.11 115.69 3hww h GLN 552 Ca 0.08 0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.49 3hww h GLN 552 Cb 0.51 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.25 3hww h GLN 552 CO -0.62 -0.17 -0.15 0.28 -1.93 0.00 0.00 178.83 176.24 3hww h VAL 553 N -0.27 0.98 0.00 2.39 2.07 0.16 -0.64 116.25 120.95 3hww h VAL 553 Ca 0.09 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3hww h VAL 553 Cb 0.50 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.58 3hww h VAL 553 CO -0.64 0.15 0.00 0.77 0.02 0.00 0.00 177.57 177.87 3hww h SER 554 N 0.00 0.00 0.04 0.57 4.64 0.23 -2.91 113.55 116.12 3hww h SER 554 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hww h SER 554 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3hww h SER 554 CO 0.02 0.00 -0.14 1.41 -0.87 0.00 0.00 176.83 177.25 3hww n HIS 555 N -2.32 0.00 1.82 4.77 8.25 -0.25 -4.67 115.22 122.82 3hww n HIS 555 Ca 0.03 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.64 3hww n HIS 555 Cb 0.30 -0.03 0.86 0.00 1.12 0.00 0.00 29.99 32.25 3hww n HIS 555 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26