#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hww s SER 2 N 0.00 6.29 0.23 6.12 0.15 -1.26 -4.93 113.70 120.31 3hww s SER 2 Ca 0.00 -0.56 -0.06 0.00 0.70 0.00 0.00 55.95 56.03 3hww s SER 2 Cb 0.00 -2.34 0.32 0.00 -1.71 0.00 0.00 66.02 62.29 3hww s SER 2 CO 0.00 -0.95 1.83 0.58 1.20 0.00 0.00 173.24 175.89 3hww h VAL 3 N 5.92 0.98 -0.03 4.45 2.07 -1.97 -1.78 116.25 125.89 3hww h VAL 3 Ca -0.26 -0.29 -0.11 0.00 0.82 0.00 0.00 66.70 66.86 3hww h VAL 3 Cb 1.09 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 3hww h VAL 3 CO 0.98 0.15 -0.49 0.77 0.02 0.00 0.00 177.57 179.00 3hww h SER 4 N 0.83 0.07 -0.25 0.57 4.64 -1.86 0.30 113.55 117.86 3hww h SER 4 Ca 0.36 -0.03 -0.05 0.00 -0.47 0.00 0.00 61.79 61.59 3hww h SER 4 Cb 0.23 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 3hww h SER 4 CO -0.20 0.55 -0.06 0.00 -0.87 0.00 0.00 176.83 176.26 3hww h ALA 5 N 1.45 0.34 -0.41 5.18 0.00 -1.76 -2.22 119.26 121.84 3hww h ALA 5 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3hww h ALA 5 Cb 0.88 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3hww h ALA 5 CO 0.07 0.14 0.27 0.35 0.00 0.00 0.00 179.25 180.07 3hww h PHE 6 N 0.22 0.52 -0.58 0.00 3.57 -1.22 -3.07 116.94 116.38 3hww h PHE 6 Ca 0.06 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.59 3hww h PHE 6 Cb 0.52 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 3hww h PHE 6 CO 0.05 0.34 0.38 -0.91 -2.23 0.00 0.00 178.31 175.94 3hww h ASN 7 N 0.56 0.63 -0.37 0.41 2.35 -0.69 -0.73 115.58 117.73 3hww h ASN 7 Ca 0.15 -0.01 -0.08 0.00 -0.55 0.00 0.00 56.30 55.81 3hww h ASN 7 Cb -0.05 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 3hww h ASN 7 CO -0.03 0.44 -0.03 0.03 -1.65 0.00 0.00 177.43 176.19 3hww h ARG 8 N 0.73 0.77 0.13 0.81 3.08 -1.37 -1.71 114.38 116.81 3hww h ARG 8 Ca 0.22 -0.21 -0.28 0.00 0.07 0.00 0.00 59.98 59.78 3hww h ARG 8 Cb -0.00 -0.08 0.01 0.00 0.08 0.00 0.00 29.97 29.97 3hww h ARG 8 CO -0.05 0.79 -1.26 0.00 -1.07 0.00 0.00 179.97 178.38 3hww h ARG 9 N 0.71 0.28 -0.08 0.04 3.08 -1.09 -1.34 114.38 115.98 3hww h ARG 9 Ca 0.14 -0.48 0.04 0.00 0.07 0.00 0.00 59.98 59.75 3hww h ARG 9 Cb 0.48 0.18 -0.05 0.00 0.08 0.00 0.00 29.97 30.65 3hww h ARG 9 CO 0.02 1.22 -0.25 2.35 -1.07 0.00 0.00 179.97 182.24 3hww h TRP 10 N 0.08 -0.68 -0.93 3.04 2.91 -1.18 -2.17 115.95 117.02 3hww h TRP 10 Ca -0.14 0.03 0.06 0.00 1.13 0.00 0.00 58.89 59.97 3hww h TRP 10 Cb 1.98 0.31 -0.06 0.00 -0.51 0.00 0.00 29.16 30.88 3hww h TRP 10 CO 0.07 -0.34 0.59 0.00 -1.03 0.00 0.00 178.44 177.73 3hww h ALA 11 N 0.55 1.28 -0.03 2.65 0.00 -1.28 -1.90 119.26 120.52 3hww h ALA 11 Ca 0.09 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 3hww h ALA 11 Cb 0.47 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 3hww h ALA 11 CO -0.28 0.36 -0.38 0.00 0.00 0.00 0.00 179.25 178.96 3hww h ALA 12 N 1.42 1.32 -0.32 0.00 0.00 -1.08 -1.01 119.26 119.58 3hww h ALA 12 Ca 0.40 -0.36 -0.17 0.00 0.00 0.00 0.00 54.91 54.78 3hww h ALA 12 Cb 0.16 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 3hww h ALA 12 CO -0.17 0.50 -0.48 0.28 0.00 0.00 0.00 179.25 179.38 3hww h VAL 13 N 0.05 1.27 -0.30 0.00 2.07 -0.71 0.51 116.25 119.16 3hww h VAL 13 Ca 0.00 -1.66 -0.04 0.00 0.82 0.00 0.00 66.70 65.82 3hww h VAL 13 Cb 0.70 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.98 3hww h VAL 13 CO 0.05 0.55 0.02 0.40 0.02 0.00 0.00 177.57 178.61 3hww h ILE 14 N 0.70 1.25 -0.55 4.57 2.04 -0.82 -1.35 117.51 123.35 3hww h ILE 14 Ca 0.03 -0.89 -0.11 0.00 1.00 0.00 0.00 64.86 64.90 3hww h ILE 14 Cb 1.08 1.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.39 3hww h ILE 14 CO 0.11 0.29 -0.07 -0.07 0.00 0.00 0.00 178.15 178.41 3hww h LEU 15 N 0.31 1.01 -0.47 1.44 3.38 -1.14 -2.93 115.31 116.92 3hww h LEU 15 Ca 0.09 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.75 3hww h LEU 15 Cb 0.40 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 3hww h LEU 15 CO 0.01 1.11 0.26 -0.08 0.09 0.00 0.00 178.44 179.83 3hww h GLU 16 N 0.90 0.50 -0.86 1.13 4.57 -0.68 -2.34 114.58 117.79 3hww h GLU 16 Ca 0.15 -0.03 0.09 0.00 -1.18 0.00 0.00 59.36 58.39 3hww h GLU 16 Cb 0.63 -0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 29.05 3hww h GLU 16 CO 0.04 0.33 0.56 0.00 -1.18 0.00 0.00 179.01 178.76 3hww h ALA 17 N 1.23 1.65 -0.33 2.92 0.00 -1.13 -2.03 119.26 121.58 3hww h ALA 17 Ca 0.20 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.06 3hww h ALA 17 Cb 0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3hww h ALA 17 CO -0.12 0.18 0.03 -0.07 0.00 0.00 0.00 179.25 179.27 3hww h LEU 18 N 0.87 0.45 -1.83 0.00 3.38 -1.24 -2.38 115.31 114.56 3hww h LEU 18 Ca 0.39 -0.07 0.13 0.00 0.09 0.00 0.00 57.88 58.43 3hww h LEU 18 Cb 0.38 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3hww h LEU 18 CO -0.16 0.50 0.39 0.74 0.09 0.00 0.00 178.44 180.01 3hww h THR 19 N 0.48 0.79 -0.03 0.22 2.02 -1.24 -0.34 112.91 114.81 3hww h THR 19 Ca 0.11 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.23 3hww h THR 19 Cb 0.27 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 3hww h THR 19 CO 0.00 0.03 0.00 0.54 0.37 0.00 0.00 175.52 176.47 3hww n ARG 20 N -4.43 1.18 -0.05 6.66 5.12 -0.89 -3.55 116.66 120.70 3hww n ARG 20 Ca 0.10 -0.27 0.07 0.00 -1.93 0.00 0.00 57.85 55.82 3hww n ARG 20 Cb 0.52 -1.37 0.10 0.00 -1.16 0.00 0.00 32.46 30.55 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 -0.57 0.00 -0.44 -1.55 8.25 -0.15 -4.30 115.22 116.47 3hww n HIS 21 Ca 0.17 -0.84 0.00 0.00 -0.26 0.00 0.00 57.72 56.79 3hww n HIS 21 Cb 0.14 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.13 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 0.73 3.64 -1.41 0.00 -1.23 -4.74 105.19 101.03 3hww n GLY 22 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.70 3.97 0.02 1.61 1.01 -1.15 -4.55 120.40 118.61 3hww s VAL 23 Ca 0.00 1.13 -0.00 0.00 0.00 0.00 0.00 61.98 63.11 3hww s VAL 23 Cb 0.00 -3.87 -0.00 0.00 0.00 0.00 0.00 36.38 32.51 3hww s VAL 23 CO 0.00 -0.25 -0.01 -1.14 0.00 0.00 0.00 175.10 173.69 3hww n ARG 24 N 7.17 0.02 -3.21 2.72 3.00 -1.26 -4.45 116.66 120.64 3hww n ARG 24 Ca 0.16 0.01 -0.35 0.00 -0.00 0.00 0.00 57.85 57.66 3hww n ARG 24 Cb 0.45 -0.53 -0.06 0.00 0.00 0.00 0.00 32.46 32.32 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 -2.02 3.61 -0.06 -0.14 3.76 -1.26 -1.40 115.29 117.78 3hww s HIS 25 Ca -0.01 1.24 -0.03 0.00 -0.15 0.00 0.00 55.06 56.10 3hww s HIS 25 Cb 0.00 -2.51 0.03 0.00 1.11 0.00 0.00 32.58 31.22 3hww s HIS 25 CO 0.01 0.35 0.14 -1.50 -0.85 0.00 0.00 174.74 172.90 3hww s ILE 26 N -1.54 -0.03 -0.14 0.60 2.07 0.18 -2.55 121.20 119.78 3hww s ILE 26 Ca 0.42 0.12 -0.01 0.00 -1.41 0.00 0.00 60.65 59.77 3hww s ILE 26 Cb -0.15 -0.23 -0.02 0.00 0.13 0.00 0.00 42.46 42.19 3hww s ILE 26 CO 0.20 0.05 -0.11 0.00 -1.91 0.00 0.00 174.94 173.17 3hww s ILE 28 N 0.36 0.63 -0.25 0.00 1.01 -0.18 -0.49 121.20 122.28 3hww s ILE 28 Ca -0.09 -0.26 -0.03 0.00 0.00 0.00 0.00 60.65 60.27 3hww s ILE 28 Cb -0.16 -0.59 0.01 0.00 0.01 0.00 0.00 42.46 41.74 3hww s ILE 28 CO 0.05 0.21 -0.03 0.00 0.00 0.00 0.00 174.94 175.18 3hww s ALA 29 N 0.36 2.80 0.86 9.38 0.00 -1.21 -3.28 121.76 130.68 3hww s ALA 29 Ca -0.05 -1.39 -0.10 0.00 0.00 0.00 0.00 51.96 50.41 3hww s ALA 29 Cb -0.09 -1.79 0.11 0.00 0.00 0.00 0.00 23.12 21.35 3hww s ALA 29 CO 0.00 -0.75 1.13 -2.14 0.00 0.00 0.00 175.76 174.01 3hww s PRO 30 N 1.40 1.46 0.00 0.00 0.02 -1.26 -4.54 135.00 132.07 3hww s PRO 30 Ca 0.02 1.44 0.00 0.00 0.02 0.00 0.00 61.00 62.48 3hww s PRO 30 Cb -0.16 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.57 3hww s PRO 30 CO -0.03 -2.29 0.00 0.41 -0.33 0.00 0.00 177.00 174.77 3hww n GLY 31 N -0.24 2.85 1.03 0.52 0.00 -1.26 -4.92 105.19 103.17 3hww n GLY 31 Ca 0.11 0.10 -0.01 0.00 0.00 0.00 0.00 46.02 46.22 3hww n GLY 31 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3hww n SER 32 N 0.00 2.90 0.00 1.61 3.41 -1.26 -2.41 113.62 117.87 3hww n SER 32 Ca 0.00 -2.09 0.00 0.00 -0.26 0.00 0.00 58.87 56.52 3hww n SER 32 Cb 0.00 -0.52 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 3hww n SER 32 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3hww n ARG 33 N 0.37 -0.65 0.00 4.33 -4.01 -1.26 -4.59 116.66 110.85 3hww n ARG 33 Ca 0.03 -0.47 0.08 0.00 -1.04 0.00 0.00 57.85 56.45 3hww n ARG 33 Cb 0.55 -0.92 -0.06 0.00 -3.04 0.00 0.00 32.46 28.99 3hww n ARG 33 CO 0.00 0.00 0.00 -1.13 -3.04 0.00 0.00 177.63 173.46 3hww n SER 34 N -0.02 1.09 0.00 2.89 3.41 -1.01 -4.71 113.62 115.27 3hww n SER 34 Ca 0.00 -1.05 0.00 0.00 -0.26 0.00 0.00 58.87 57.56 3hww n SER 34 Cb 0.05 0.81 0.00 0.00 -0.26 0.00 0.00 64.21 64.81 3hww n SER 34 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3hww n THR 35 N -0.92 0.00 -0.16 6.66 -1.04 -1.25 0.16 114.28 117.74 3hww n THR 35 Ca 0.04 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.08 3hww n THR 35 Cb 0.29 0.00 0.30 0.00 -1.82 0.00 0.00 70.33 69.10 3hww n THR 35 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3hww h LEU 36 N 0.00 0.74 0.00 -4.42 3.38 -1.88 0.50 115.31 113.63 3hww h LEU 36 Ca 0.00 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 3hww h LEU 36 Cb 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3hww h LEU 36 CO 0.00 0.53 -0.00 -0.07 0.09 0.00 0.00 178.44 178.99 3hww h LEU 37 N 0.87 -0.00 -0.78 1.67 3.38 0.12 -0.00 115.31 120.56 3hww h LEU 37 Ca 0.25 -0.84 0.14 0.00 0.09 0.00 0.00 57.88 57.51 3hww h LEU 37 Cb -0.06 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.60 3hww h LEU 37 CO -0.06 0.85 0.35 0.74 0.09 0.00 0.00 178.44 180.41 3hww h THR 38 N -0.88 0.70 -0.38 0.22 2.02 -1.20 0.35 112.91 113.74 3hww h THR 38 Ca -0.00 -0.18 -0.09 0.00 0.77 0.00 0.00 66.41 66.91 3hww h THR 38 Cb 0.85 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 3hww h THR 38 CO 0.00 0.09 -0.12 -0.07 0.37 0.00 0.00 175.52 175.79 3hww h LEU 39 N 0.51 0.77 -1.30 2.58 3.38 0.04 -1.29 115.31 120.00 3hww h LEU 39 Ca 0.42 -0.38 -0.07 0.00 0.09 0.00 0.00 57.88 57.94 3hww h LEU 39 Cb 0.60 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 3hww h LEU 39 CO -0.37 0.97 -0.34 0.00 0.09 0.00 0.00 178.44 178.79 3hww h ALA 40 N 0.82 1.31 -0.56 1.53 0.00 -0.58 -2.49 119.26 119.29 3hww h ALA 40 Ca 0.09 -0.31 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 3hww h ALA 40 Cb 0.65 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3hww h ALA 40 CO 0.04 0.42 -0.04 0.00 0.00 0.00 0.00 179.25 179.67 3hww h ALA 41 N 1.66 0.86 -0.10 0.00 0.00 -0.66 -2.54 119.26 118.49 3hww h ALA 41 Ca -0.00 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.48 3hww h ALA 41 Cb 0.65 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3hww h ALA 41 CO 0.04 0.66 -0.34 0.00 0.00 0.00 0.00 179.25 179.61 3hww h ALA 42 N 1.03 0.17 -0.27 0.00 0.00 -0.96 -3.08 119.26 116.15 3hww h ALA 42 Ca 0.16 -0.44 0.08 0.00 0.00 0.00 0.00 54.91 54.70 3hww h ALA 42 Cb 0.59 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 3hww h ALA 42 CO 0.04 0.24 0.31 0.93 0.00 0.00 0.00 179.25 180.76 3hww h GLU 43 N -0.04 0.00 -5.38 0.00 5.08 -1.45 -3.40 114.58 109.39 3hww h GLU 43 Ca -0.02 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.69 3hww h GLU 43 Cb 0.98 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.07 3hww h GLU 43 CO 0.07 0.00 0.21 1.21 -1.00 0.00 0.00 179.01 179.51 3hww s ASN 44 N -5.53 6.30 0.53 1.42 3.84 -0.96 -4.91 114.94 115.63 3hww s ASN 44 Ca -0.04 -0.53 0.34 0.00 0.21 0.00 0.00 52.86 52.84 3hww s ASN 44 Cb 0.15 -2.34 1.51 0.00 -0.55 0.00 0.00 41.25 40.02 3hww s ASN 44 CO 0.54 -0.93 2.01 0.77 -2.79 0.00 0.00 177.10 176.71 3hww h SER 45 N 9.02 0.00 0.25 -4.21 4.64 -1.84 -3.03 113.55 118.38 3hww h SER 45 Ca -0.26 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.05 3hww h SER 45 Cb 1.09 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.18 3hww h SER 45 CO 0.97 0.00 -0.05 0.00 -0.87 0.00 0.00 176.83 176.88 3hww h ALA 46 N 2.03 1.24 -2.79 5.18 0.00 -1.92 -3.44 119.26 119.55 3hww h ALA 46 Ca 0.00 -0.04 -0.62 0.00 0.00 0.00 0.00 54.91 54.25 3hww h ALA 46 Cb 0.39 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 3hww h ALA 46 CO 0.00 0.06 -0.30 -0.06 0.00 0.00 0.00 179.25 178.95 3hww s PHE 47 N -4.23 3.62 -0.18 0.00 0.08 -1.15 -4.77 117.98 111.36 3hww s PHE 47 Ca -0.03 0.78 -0.20 0.00 0.12 0.00 0.00 56.93 57.59 3hww s PHE 47 Cb 0.13 -2.23 -0.03 0.00 -0.57 0.00 0.00 43.02 40.32 3hww s PHE 47 CO 0.53 0.54 0.60 0.42 -0.10 0.00 0.00 175.22 177.21 3hww s ILE 48 N -0.60 5.05 -0.08 0.64 1.01 -0.49 -4.97 121.20 121.77 3hww s ILE 48 Ca 0.20 1.16 -0.14 0.00 0.00 0.00 0.00 60.65 61.86 3hww s ILE 48 Cb -0.15 -3.93 -0.05 0.00 0.01 0.00 0.00 42.46 38.35 3hww s ILE 48 CO 0.09 0.16 0.35 -1.00 0.00 0.00 0.00 174.94 174.53 3hww s HIS 49 N 1.62 3.61 0.07 3.97 3.76 -1.26 -0.65 115.29 126.40 3hww s HIS 49 Ca 0.29 0.81 0.04 0.00 -0.15 0.00 0.00 55.06 56.05 3hww s HIS 49 Cb -0.16 -2.30 -0.03 0.00 1.11 0.00 0.00 32.58 31.21 3hww s HIS 49 CO 0.11 0.48 -0.12 -1.01 -0.85 0.00 0.00 174.74 173.35 3hww s HIS 50 N -0.40 1.06 0.15 1.40 3.76 -0.27 -4.95 115.29 116.04 3hww s HIS 50 Ca 0.21 -0.50 0.02 0.00 -0.15 0.00 0.00 55.06 54.64 3hww s HIS 50 Cb -0.15 -0.60 -0.04 0.00 1.11 0.00 0.00 32.58 32.90 3hww s HIS 50 CO 0.09 0.02 -0.03 0.95 -0.85 0.00 0.00 174.74 174.92 3hww s THR 51 N -1.46 0.71 -0.10 1.30 -4.23 -1.26 -1.01 115.64 109.59 3hww s THR 51 Ca -0.03 -1.97 -0.30 0.00 -1.18 0.00 0.00 61.69 58.21 3hww s THR 51 Cb -0.09 -1.96 0.11 0.00 1.34 0.00 0.00 72.50 71.90 3hww s THR 51 CO 0.02 -0.62 0.93 -2.28 -0.54 0.00 0.00 174.62 172.13 3hww s HIS 52 N -3.63 -0.39 -0.70 3.99 5.04 -1.20 -4.97 115.29 113.42 3hww s HIS 52 Ca 0.20 0.56 0.23 0.00 -1.54 0.00 0.00 55.06 54.51 3hww s HIS 52 Cb 0.06 0.47 0.11 0.00 0.04 0.00 0.00 32.58 33.25 3hww s HIS 52 CO 0.01 -0.43 1.09 1.97 -2.34 0.00 0.00 174.74 175.04 3hww n PHE 53 N 0.46 0.22 -3.63 3.88 1.16 -1.26 -4.20 117.46 114.08 3hww n PHE 53 Ca -0.11 0.06 -0.39 0.00 -1.87 0.00 0.00 57.45 55.14 3hww n PHE 53 Cb 0.59 -0.38 -0.11 0.00 -1.61 0.00 0.00 39.48 37.96 3hww n PHE 53 CO 0.00 0.00 0.00 0.34 -1.87 0.00 0.00 176.76 175.23 3hww s ASP 54 N -3.72 5.62 0.25 5.98 -1.08 -1.26 -5.00 116.67 117.46 3hww s ASP 54 Ca 0.05 -0.73 -0.00 0.00 -0.52 0.00 0.00 52.55 51.36 3hww s ASP 54 Cb 0.15 -2.01 0.31 0.00 -1.46 0.00 0.00 42.92 39.91 3hww s ASP 54 CO 0.79 -0.27 1.67 -0.33 0.52 0.00 0.00 175.17 177.54 3hww h GLU 55 N 8.38 0.58 -0.40 4.34 3.07 -1.90 -0.22 114.58 128.44 3hww h GLU 55 Ca -0.29 -0.24 0.08 0.00 -0.50 0.00 0.00 59.36 58.41 3hww h GLU 55 Cb 1.13 -0.02 -0.08 0.00 -0.84 0.00 0.00 28.75 28.94 3hww h GLU 55 CO 0.64 0.80 -0.11 -0.09 -1.40 0.00 0.00 179.01 178.84 3hww h ARG 56 N 0.50 -0.02 -0.01 2.33 2.43 -1.87 -0.41 114.38 117.33 3hww h ARG 56 Ca 0.07 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 59.13 3hww h ARG 56 Cb 0.74 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 3hww h ARG 56 CO 0.06 -0.01 -0.49 0.78 -1.51 0.00 0.00 179.97 178.80 3hww h GLY 57 N -0.02 0.02 0.92 2.80 0.00 -1.68 -2.84 103.07 102.27 3hww h GLY 57 Ca 0.19 -0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 3hww h GLY 57 CO -0.42 0.02 0.11 -2.00 0.00 0.00 0.00 176.54 174.25 3hww h LEU 58 N 0.01 0.34 -0.57 3.11 5.85 -0.47 0.38 115.31 123.97 3hww h LEU 58 Ca -0.00 -0.14 0.11 0.00 0.84 0.00 0.00 57.88 58.68 3hww h LEU 58 Cb 0.87 -0.09 -0.09 0.00 0.37 0.00 0.00 40.66 41.72 3hww h LEU 58 CO 0.06 0.39 0.08 1.23 -0.34 0.00 0.00 178.44 179.87 3hww h GLY 59 N 0.27 0.68 1.67 3.75 0.00 -0.95 0.73 103.07 109.22 3hww h GLY 59 Ca 0.09 0.01 -0.13 0.00 0.00 0.00 0.00 47.33 47.29 3hww h GLY 59 CO -0.01 -0.12 -0.48 0.45 0.00 0.00 0.00 176.54 176.38 3hww h HIS 60 N 0.21 0.43 -0.17 5.60 3.86 -1.24 0.36 115.15 124.19 3hww h HIS 60 Ca 0.29 -0.14 0.04 0.00 -1.16 0.00 0.00 60.37 59.41 3hww h HIS 60 Cb 0.44 -0.09 -0.04 0.00 1.06 0.00 0.00 27.41 28.78 3hww h HIS 60 CO -0.27 0.77 -0.08 1.25 0.86 0.00 0.00 177.93 180.45 3hww h LEU 61 N 0.28 -0.27 -1.21 2.43 5.85 0.55 0.01 115.31 122.95 3hww h LEU 61 Ca 0.02 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 3hww h LEU 61 Cb 0.95 0.15 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 3hww h LEU 61 CO 0.08 -0.11 0.31 0.00 -0.34 0.00 0.00 178.44 178.38 3hww h ALA 62 N 1.08 1.39 -0.31 1.25 0.00 -0.41 -1.51 119.26 120.75 3hww h ALA 62 Ca 0.09 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3hww h ALA 62 Cb 0.20 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3hww h ALA 62 CO -0.21 0.49 0.11 1.25 0.00 0.00 0.00 179.25 180.89 3hww h LEU 63 N 0.86 0.44 -0.11 0.00 5.85 -0.40 -0.29 115.31 121.66 3hww h LEU 63 Ca 0.21 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.76 3hww h LEU 63 Cb 0.07 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 3hww h LEU 63 CO -0.03 0.51 0.01 1.23 -0.34 0.00 0.00 178.44 179.82 3hww h GLY 64 N 0.35 0.11 0.50 3.75 0.00 -0.49 -0.52 103.07 106.78 3hww h GLY 64 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.49 3hww h GLY 64 CO -0.01 -0.01 -0.01 1.41 0.00 0.00 0.00 176.54 177.93 3hww h LEU 65 N 0.05 -0.14 0.21 3.11 3.38 -1.11 -2.17 115.31 118.64 3hww h LEU 65 Ca 0.05 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3hww h LEU 65 Cb 0.05 0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.93 3hww h LEU 65 CO -0.07 -0.04 -0.10 0.00 0.09 0.00 0.00 178.44 178.32 3hww h ALA 66 N 1.27 -0.28 -0.93 1.53 0.00 -0.92 -1.13 119.26 118.79 3hww h ALA 66 Ca 0.15 -0.09 0.25 0.00 0.00 0.00 0.00 54.91 55.22 3hww h ALA 66 Cb 0.20 0.11 -0.17 0.00 0.00 0.00 0.00 17.79 17.93 3hww h ALA 66 CO -0.26 -0.62 0.05 -0.22 0.00 0.00 0.00 179.25 178.20 3hww h LYS 67 N -0.35 0.05 0.00 0.00 3.64 -0.97 0.35 116.57 119.29 3hww h LYS 67 Ca -0.03 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 3hww h LYS 67 Cb 0.27 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 3hww h LYS 67 CO 0.05 0.03 -0.22 0.28 -2.27 0.00 0.00 179.45 177.32 3hww h VAL 68 N 0.05 1.63 0.00 2.00 2.07 -1.21 -3.37 116.25 117.42 3hww h VAL 68 Ca 0.56 -2.30 -0.02 0.00 0.82 0.00 0.00 66.70 65.76 3hww h VAL 68 Cb 1.12 3.16 -0.00 0.00 -1.52 0.00 0.00 31.29 34.05 3hww h VAL 68 CO -0.84 0.55 -0.09 0.77 0.02 0.00 0.00 177.57 177.98 3hww h SER 69 N -1.00 0.00 -0.62 0.57 4.64 -0.99 -3.46 113.55 112.68 3hww h SER 69 Ca -0.06 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 60.99 3hww h SER 69 Cb 1.04 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.03 3hww h SER 69 CO -0.04 0.09 -0.24 0.29 -0.87 0.00 0.00 176.83 176.06 3hww n LYS 70 N -3.20 -1.30 -4.15 4.77 4.76 0.12 -5.00 118.16 114.15 3hww n LYS 70 Ca 0.01 0.94 -0.24 0.00 -2.87 0.00 0.00 58.31 56.15 3hww n LYS 70 Cb 0.38 -5.17 -0.06 0.00 -1.84 0.00 0.00 35.03 28.34 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 -3.02 2.71 0.50 1.97 -0.21 -1.26 -5.03 119.66 115.32 3hww s GLN 71 Ca 0.00 -1.07 -0.23 0.00 0.02 0.00 0.00 55.36 54.08 3hww s GLN 71 Cb 0.00 -2.48 -0.06 0.00 1.00 0.00 0.00 33.01 31.47 3hww s GLN 71 CO 0.00 0.43 1.26 -1.25 -2.12 0.00 0.00 175.29 173.61 3hww s PRO 72 N -3.42 3.48 -0.04 2.91 0.05 -1.26 -4.54 135.00 132.19 3hww s PRO 72 Ca 0.31 2.01 0.01 0.00 0.05 0.00 0.00 61.00 63.39 3hww s PRO 72 Cb -0.09 -2.36 0.02 0.00 0.05 0.00 0.00 34.50 32.12 3hww s PRO 72 CO 0.22 -0.85 -0.06 0.08 0.05 0.00 0.00 177.00 176.45 3hww s VAL 73 N -1.42 0.58 0.25 -0.36 1.01 -0.47 -4.18 120.40 115.82 3hww s VAL 73 Ca 0.67 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 62.43 3hww s VAL 73 Cb -0.35 -0.58 -0.05 0.00 0.00 0.00 0.00 36.38 35.40 3hww s VAL 73 CO 0.42 0.22 0.50 0.00 0.00 0.00 0.00 175.10 176.24 3hww s ALA 74 N 0.71 3.68 -0.03 5.51 0.00 -1.06 -0.26 121.76 130.31 3hww s ALA 74 Ca -0.10 -0.59 -0.01 0.00 0.00 0.00 0.00 51.96 51.26 3hww s ALA 74 Cb -0.13 -2.23 0.03 0.00 0.00 0.00 0.00 23.12 20.79 3hww s ALA 74 CO 0.00 0.36 0.03 0.08 0.00 0.00 0.00 175.76 176.24 3hww s VAL 75 N -1.96 -0.00 -0.08 0.00 1.01 0.19 -0.81 120.40 118.75 3hww s VAL 75 Ca 0.43 0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.69 3hww s VAL 75 Cb -0.11 -0.18 -0.02 0.00 0.00 0.00 0.00 36.38 36.07 3hww s VAL 75 CO 0.28 0.15 -0.13 -0.63 0.00 0.00 0.00 175.10 174.77 3hww s ILE 76 N 1.56 3.11 0.06 2.22 1.01 0.36 0.69 121.20 130.21 3hww s ILE 76 Ca -0.03 -0.68 -0.01 0.00 0.00 0.00 0.00 60.65 59.94 3hww s ILE 76 Cb -0.13 -2.26 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 3hww s ILE 76 CO -0.03 0.56 -0.02 0.68 0.00 0.00 0.00 174.94 176.13 3hww s VAL 77 N -0.28 0.22 0.71 2.92 -7.23 -0.88 -3.34 120.40 112.52 3hww s VAL 77 Ca 0.02 -1.82 -0.07 0.00 -1.81 0.00 0.00 61.98 58.30 3hww s VAL 77 Cb -0.13 -1.57 0.06 0.00 0.56 0.00 0.00 36.38 35.30 3hww s VAL 77 CO 0.03 -0.95 1.03 0.28 -0.31 0.00 0.00 175.10 175.18 3hww s THR 78 N -3.92 2.28 0.85 5.32 -1.32 -1.26 -1.57 115.64 116.02 3hww s THR 78 Ca 0.09 -0.24 -0.11 0.00 -1.21 0.00 0.00 61.69 60.22 3hww s THR 78 Cb 0.08 -3.01 0.10 0.00 -1.51 0.00 0.00 72.50 68.16 3hww s THR 78 CO -0.09 -0.01 1.10 -0.94 -2.21 0.00 0.00 174.62 172.47 3hww s SER 79 N -4.52 3.77 0.00 8.08 1.04 -1.09 -4.12 113.70 116.87 3hww s SER 79 Ca 0.60 1.77 0.00 0.00 0.48 0.00 0.00 55.95 58.81 3hww s SER 79 Cb -0.11 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 63.60 3hww s SER 79 CO 0.45 -2.49 0.00 0.61 0.98 0.00 0.00 173.24 172.79 3hww n GLY 80 N -0.86 -0.74 0.25 7.32 0.00 -1.24 -4.48 105.19 105.44 3hww n GLY 80 Ca 0.09 -1.75 0.17 0.00 0.00 0.00 0.00 46.02 44.52 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 -0.95 2.61 1.35 -1.92 0.25 112.91 114.24 3hww h THR 81 Ca 0.00 -0.29 0.22 0.00 -0.55 0.00 0.00 66.41 65.79 3hww h THR 81 Cb 0.00 1.18 -0.18 0.00 -1.73 0.00 0.00 68.15 67.43 3hww h THR 81 CO 0.00 0.00 -0.10 0.00 -0.25 0.00 0.00 175.52 175.17 3hww h ALA 82 N 2.06 0.88 -0.49 6.62 0.00 -1.81 -0.17 119.26 126.35 3hww h ALA 82 Ca 0.00 0.35 -0.10 0.00 0.00 0.00 0.00 54.91 55.16 3hww h ALA 82 Cb 0.32 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 3hww h ALA 82 CO 0.00 -0.47 -0.10 0.28 0.00 0.00 0.00 179.25 178.96 3hww h VAL 83 N 0.01 1.26 -0.02 0.00 2.07 -0.65 -2.86 116.25 116.07 3hww h VAL 83 Ca 0.52 -1.20 -0.08 0.00 0.82 0.00 0.00 66.70 66.76 3hww h VAL 83 Cb 0.93 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 3hww h VAL 83 CO -0.93 0.42 -0.36 0.00 0.02 0.00 0.00 177.57 176.72 3hww h ALA 84 N 1.08 1.38 0.00 1.67 0.00 -1.13 -1.30 119.26 120.96 3hww h ALA 84 Ca 0.13 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3hww h ALA 84 Cb 0.61 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3hww h ALA 84 CO 0.04 0.46 0.00 -0.91 0.00 0.00 0.00 179.25 178.84 3hww h ASN 85 N 0.03 0.00 0.90 0.00 2.35 -1.21 -1.63 115.58 116.02 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 0.65 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.02 3hww h ASN 85 CO 0.05 0.00 0.00 -0.07 -1.65 0.00 0.00 177.43 175.76 3hww h LEU 86 N 0.00 0.00 -0.25 1.61 3.38 -1.34 -3.23 115.31 115.48 3hww h LEU 86 Ca 0.00 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.02 3hww h LEU 86 Cb 0.13 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 3hww h LEU 86 CO 0.00 0.00 -0.09 0.22 0.09 0.00 0.00 178.44 178.66 3hww h TYR 87 N 0.00 -0.19 -0.27 1.13 5.03 -1.47 -1.14 116.97 120.06 3hww h TYR 87 Ca 0.00 0.02 0.06 0.00 2.58 0.00 0.00 58.73 61.39 3hww h TYR 87 Cb 0.45 0.12 -0.06 0.00 1.55 0.00 0.00 36.73 38.80 3hww h TYR 87 CO 0.00 -0.14 -0.10 -1.35 -1.32 0.00 0.00 178.16 175.25 3hww h PRO 88 N -0.04 -0.05 -0.05 1.82 0.11 -1.83 0.23 132.00 132.19 3hww h PRO 88 Ca 0.12 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.10 3hww h PRO 88 Cb 0.23 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 3hww h PRO 88 CO -0.28 -0.03 -0.60 0.00 -0.21 0.00 0.00 178.00 176.88 3hww h ALA 89 N 1.20 0.89 -0.80 -0.75 0.00 -1.77 -0.86 119.26 117.17 3hww h ALA 89 Ca 0.14 -0.54 0.01 0.00 0.00 0.00 0.00 54.91 54.51 3hww h ALA 89 Cb 0.26 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 3hww h ALA 89 CO -0.31 0.73 0.53 1.25 0.00 0.00 0.00 179.25 181.45 3hww h LEU 90 N 0.14 0.93 -0.37 0.00 5.85 0.07 -1.41 115.31 120.51 3hww h LEU 90 Ca -0.01 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.62 3hww h LEU 90 Cb 1.09 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 3hww h LEU 90 CO 0.09 0.68 -0.04 0.40 -0.34 0.00 0.00 178.44 179.23 3hww h ILE 91 N 1.09 1.27 -0.28 4.05 2.04 0.72 -2.26 117.51 124.13 3hww h ILE 91 Ca 0.29 -1.06 -0.01 0.00 1.00 0.00 0.00 64.86 65.08 3hww h ILE 91 Cb -0.12 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 3hww h ILE 91 CO -0.06 0.35 0.13 -0.08 0.00 0.00 0.00 178.15 178.49 3hww h GLU 92 N 0.48 0.41 -0.70 2.37 4.57 -1.02 -2.07 114.58 118.62 3hww h GLU 92 Ca 0.10 -0.06 0.08 0.00 -1.18 0.00 0.00 59.36 58.29 3hww h GLU 92 Cb 0.52 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 28.99 3hww h GLU 92 CO 0.03 0.41 0.46 0.00 -1.18 0.00 0.00 179.01 178.72 3hww h ALA 93 N 0.98 1.80 0.00 2.92 0.00 -1.16 -0.05 119.26 123.75 3hww h ALA 93 Ca 0.10 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3hww h ALA 93 Cb 0.14 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3hww h ALA 93 CO -0.01 0.07 -0.34 0.78 0.00 0.00 0.00 179.25 179.75 3hww h GLY 94 N 0.65 0.00 0.96 0.00 0.00 -0.77 0.71 103.07 104.63 3hww h GLY 94 Ca 0.31 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 47.31 3hww h GLY 94 CO -0.11 0.00 -1.73 1.41 0.00 0.00 0.00 176.54 176.11 3hww h LEU 95 N 0.00 0.42 -0.91 3.11 3.38 -0.71 -3.40 115.31 117.20 3hww h LEU 95 Ca -0.00 -0.70 0.00 0.00 0.09 0.00 0.00 57.88 57.26 3hww h LEU 95 Cb 0.66 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3hww h LEU 95 CO 0.04 1.60 -0.31 0.35 0.09 0.00 0.00 178.44 180.21 3hww n THR 96 N -3.46 0.00 -0.27 0.22 -2.24 -0.20 -4.97 114.28 103.37 3hww n THR 96 Ca -0.23 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 3hww n THR 96 Cb 1.06 1.19 0.00 0.00 -2.10 0.00 0.00 70.33 70.48 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 1.12 0.80 3.69 3.38 0.00 0.25 -4.96 105.19 109.47 3hww n GLY 97 Ca 0.07 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.20 2.13 -3.01 1.61 4.71 -1.13 -2.44 120.64 120.32 3hww n GLU 98 Ca 0.00 0.76 -0.44 0.00 -0.01 0.00 0.00 57.16 57.46 3hww n GLU 98 Cb 0.00 -2.41 -0.03 0.00 -1.01 0.00 0.00 31.44 27.99 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 -0.75 3.49 -0.23 3.49 1.02 -1.25 -2.62 119.74 122.88 3hww s LYS 99 Ca 0.65 -1.75 -0.08 0.00 0.02 0.00 0.00 55.97 54.81 3hww s LYS 99 Cb -0.61 -4.69 -0.04 0.00 -0.52 0.00 0.00 37.83 31.97 3hww s LYS 99 CO 0.52 -1.67 0.08 -0.51 -0.92 0.00 0.00 175.35 172.86 3hww s LEU 100 N 2.37 3.62 -0.42 3.17 1.43 -1.24 -1.36 118.68 126.26 3hww s LEU 100 Ca 0.27 -0.10 -0.12 0.00 -1.03 0.00 0.00 54.13 53.15 3hww s LEU 100 Cb -0.09 -1.96 0.06 0.00 0.03 0.00 0.00 46.19 44.22 3hww s LEU 100 CO -0.06 0.02 0.27 -0.63 0.23 0.00 0.00 176.35 176.19 3hww s ILE 101 N 1.28 4.63 -0.29 -0.59 -1.09 0.64 -0.66 121.20 125.12 3hww s ILE 101 Ca 0.05 -1.10 -0.16 0.00 -2.23 0.00 0.00 60.65 57.21 3hww s ILE 101 Cb -0.15 -3.72 -0.03 0.00 -1.58 0.00 0.00 42.46 36.99 3hww s ILE 101 CO 0.04 -0.42 0.41 -0.76 -1.23 0.00 0.00 174.94 172.98 3hww s LEU 102 N 1.53 4.15 -0.34 2.97 1.43 -0.34 -0.64 118.68 127.45 3hww s LEU 102 Ca 0.03 0.19 -0.05 0.00 -1.03 0.00 0.00 54.13 53.27 3hww s LEU 102 Cb -0.22 -2.47 0.06 0.00 0.03 0.00 0.00 46.19 43.59 3hww s LEU 102 CO 0.05 -0.27 0.10 -0.76 0.23 0.00 0.00 176.35 175.70 3hww s LEU 103 N 2.15 4.38 -0.27 1.79 1.43 0.22 0.02 118.68 128.39 3hww s LEU 103 Ca 0.16 -1.34 -0.05 0.00 -1.03 0.00 0.00 54.13 51.87 3hww s LEU 103 Cb -0.16 -1.82 0.01 0.00 0.03 0.00 0.00 46.19 44.25 3hww s LEU 103 CO 0.11 -0.35 0.03 0.42 0.23 0.00 0.00 176.35 176.78 3hww s THR 104 N 1.32 3.63 0.49 5.49 -4.23 -0.53 -2.07 115.64 119.75 3hww s THR 104 Ca -0.01 -0.73 -0.22 0.00 -1.18 0.00 0.00 61.69 59.55 3hww s THR 104 Cb -0.20 -2.83 -0.07 0.00 1.34 0.00 0.00 72.50 70.74 3hww s THR 104 CO 0.01 0.17 1.17 0.00 -0.54 0.00 0.00 174.62 175.42 3hww s ALA 105 N 1.46 2.88 0.09 3.99 0.00 -0.61 -0.21 121.76 129.37 3hww s ALA 105 Ca 0.03 0.93 0.02 0.00 0.00 0.00 0.00 51.96 52.93 3hww s ALA 105 Cb -0.17 -3.39 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 3hww s ALA 105 CO 0.00 -0.74 -0.06 0.34 0.00 0.00 0.00 175.76 175.30 3hww s ASP 106 N -1.44 1.08 0.89 0.00 -1.08 -0.45 -2.68 116.67 112.99 3hww s ASP 106 Ca 0.67 -0.97 -0.11 0.00 -0.52 0.00 0.00 52.55 51.61 3hww s ASP 106 Cb -0.28 0.10 0.13 0.00 -1.46 0.00 0.00 42.92 41.40 3hww s ASP 106 CO 0.33 -0.46 1.10 -0.13 0.52 0.00 0.00 175.17 176.54 3hww s ARG 107 N -3.68 1.25 0.78 4.34 1.81 -1.26 -2.56 118.95 119.63 3hww s ARG 107 Ca 0.10 1.08 -0.11 0.00 -1.72 0.00 0.00 55.73 55.08 3hww s ARG 107 Cb 0.04 -1.79 0.06 0.00 -0.45 0.00 0.00 34.95 32.81 3hww s ARG 107 CO -0.05 -2.32 1.08 -1.25 -0.68 0.00 0.00 175.30 172.09 3hww s PRO 108 N -4.81 2.24 0.55 3.54 0.04 -1.19 -4.40 135.00 130.97 3hww s PRO 108 Ca 0.64 0.85 0.26 0.00 0.04 0.00 0.00 61.00 62.79 3hww s PRO 108 Cb -0.19 -1.92 1.59 0.00 0.04 0.00 0.00 34.50 34.02 3hww s PRO 108 CO 0.58 -1.57 2.18 -1.00 0.04 0.00 0.00 177.00 177.23 3hww h PRO 109 N -1.06 0.00 0.00 0.56 0.13 -1.95 -0.11 132.00 129.57 3hww h PRO 109 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3hww h PRO 109 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3hww h PRO 109 CO 0.56 0.04 0.00 0.39 -0.23 0.00 0.00 178.00 178.77 3hww n GLU 110 N -3.95 0.19 -0.31 0.86 4.71 -1.26 -2.43 120.64 118.45 3hww n GLU 110 Ca -0.03 0.41 0.08 0.00 -0.01 0.00 0.00 57.16 57.62 3hww n GLU 110 Cb 0.13 -1.86 0.24 0.00 -1.01 0.00 0.00 31.44 28.94 3hww n GLU 110 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3hww n LEU 111 N -2.22 3.52 -4.88 -4.62 4.77 -0.06 -4.95 117.00 108.57 3hww n LEU 111 Ca 0.02 -2.13 -0.34 0.00 -0.03 0.00 0.00 56.01 53.54 3hww n LEU 111 Cb 0.23 -0.37 -0.05 0.00 -2.33 0.00 0.00 43.42 40.90 3hww n LEU 111 CO 0.20 0.81 0.02 -0.63 -1.33 0.00 0.00 177.39 176.46 3hww s ILE 112 N -1.23 5.18 -1.13 -0.08 -1.09 -1.02 -4.37 121.20 117.45 3hww s ILE 112 Ca 0.36 0.25 -0.07 0.00 -2.23 0.00 0.00 60.65 58.96 3hww s ILE 112 Cb 0.20 -3.61 0.01 0.00 -1.58 0.00 0.00 42.46 37.47 3hww s ILE 112 CO 0.21 0.26 0.87 0.47 -1.23 0.00 0.00 174.94 175.53 3hww n ASP 113 N 0.80 -5.52 -0.77 3.58 8.00 -1.26 -4.89 116.55 116.50 3hww n ASP 113 Ca -0.08 -0.40 -0.00 0.00 0.71 0.00 0.00 54.79 55.02 3hww n ASP 113 Cb 0.52 -4.17 -0.01 0.00 -0.02 0.00 0.00 41.12 37.45 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 0.10 0.75 3.80 0.00 0.00 -1.26 -5.04 105.19 103.54 3hww n GLY 115 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.59 2.11 0.07 4.61 0.00 -1.26 -5.01 121.76 119.69 3hww s ALA 116 Ca 0.00 -0.28 -0.12 0.00 0.00 0.00 0.00 51.96 51.57 3hww s ALA 116 Cb 0.00 -3.09 -0.06 0.00 0.00 0.00 0.00 23.12 19.97 3hww s ALA 116 CO 0.00 -1.89 0.43 -0.80 0.00 0.00 0.00 175.76 173.50 3hww s ASN 117 N -3.91 6.71 -1.38 0.00 0.01 -1.26 -3.98 114.94 111.12 3hww s ASN 117 Ca 0.62 0.87 -0.06 0.00 -0.71 0.00 0.00 52.86 53.58 3hww s ASN 117 Cb -0.15 -2.21 0.01 0.00 0.41 0.00 0.00 41.25 39.31 3hww s ASN 117 CO 0.54 0.19 0.79 1.67 -1.51 0.00 0.00 177.10 178.79 3hww n GLN 118 N 1.08 -5.78 -3.84 -0.60 7.27 -1.26 -4.94 117.38 109.31 3hww n GLN 118 Ca -0.09 0.82 -0.25 0.00 0.07 0.00 0.00 57.00 57.55 3hww n GLN 118 Cb 0.52 -5.62 -0.17 0.00 2.41 0.00 0.00 30.24 27.38 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 -3.21 1.05 0.28 1.69 0.00 -1.26 -3.72 121.76 116.61 3hww s ALA 119 Ca 0.39 -0.40 0.02 0.00 0.00 0.00 0.00 51.96 51.97 3hww s ALA 119 Cb -0.17 -0.87 -0.03 0.00 0.00 0.00 0.00 23.12 22.05 3hww s ALA 119 CO 0.49 -0.51 0.26 0.96 0.00 0.00 0.00 175.76 176.96 3hww s ILE 120 N 1.82 0.00 -0.47 0.00 -4.36 -1.26 -4.77 121.20 112.16 3hww s ILE 120 Ca 0.04 -1.91 -0.26 0.00 -0.26 0.00 0.00 60.65 58.26 3hww s ILE 120 Cb -0.13 -2.50 0.03 0.00 1.25 0.00 0.00 42.46 41.11 3hww s ILE 120 CO -0.07 0.00 0.96 -0.13 0.24 0.00 0.00 174.94 175.94 3hww s ARG 121 N -3.68 3.54 -0.19 0.37 0.52 -1.26 -4.91 118.95 113.34 3hww s ARG 121 Ca 0.38 0.19 0.10 0.00 -0.52 0.00 0.00 55.73 55.88 3hww s ARG 121 Cb 0.03 -3.93 -0.19 0.00 0.52 0.00 0.00 34.95 31.38 3hww s ARG 121 CO 0.20 -1.27 -0.04 1.04 0.02 0.00 0.00 175.30 175.25 3hww n GLN 122 N 7.31 0.94 -1.73 3.54 6.02 -1.26 -4.68 117.38 127.52 3hww n GLN 122 Ca 0.07 0.04 -0.42 0.00 -0.01 0.00 0.00 57.00 56.68 3hww n GLN 122 Cb 0.49 -1.44 -0.03 0.00 1.02 0.00 0.00 30.24 30.27 3hww n GLN 122 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 3hww s PRO 123 N -2.43 4.13 -0.02 -1.09 0.02 -1.26 -1.56 135.00 132.79 3hww s PRO 123 Ca -0.17 2.60 0.00 0.00 0.02 0.00 0.00 61.00 63.45 3hww s PRO 123 Cb 0.06 -3.22 0.00 0.00 0.02 0.00 0.00 34.50 31.36 3hww s PRO 123 CO 0.63 -0.77 0.00 0.41 -0.33 0.00 0.00 177.00 176.94 3hww n GLY 124 N 4.04 0.32 0.43 0.52 0.00 -1.26 -4.89 105.19 104.35 3hww n GLY 124 Ca 0.16 -0.01 0.24 0.00 0.00 0.00 0.00 46.02 46.41 3hww n GLY 124 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3hww h MET 125 N 0.60 0.13 -0.61 1.61 2.86 -1.56 -0.89 114.93 117.06 3hww h MET 125 Ca -0.00 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3hww h MET 125 Cb 0.39 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.02 3hww h MET 125 CO 0.01 0.09 0.00 1.19 1.06 0.00 0.00 176.91 179.25 3hww n PHE 126 N -4.37 1.21 0.00 -0.22 3.72 -1.26 -5.03 117.46 111.51 3hww n PHE 126 Ca 0.17 -0.59 0.00 0.00 -0.05 0.00 0.00 57.45 56.99 3hww n PHE 126 Cb 0.82 -0.16 0.00 0.00 -0.94 0.00 0.00 39.48 39.19 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 1.08 0.00 0.86 4.37 0.00 -0.34 -1.50 120.51 124.98 3hww n ALA 127 Ca 0.24 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.76 3hww n ALA 127 Cb 0.77 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.49 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 2.82 2.13 0.02 0.00 3.41 -1.26 -4.38 113.62 116.36 3hww n SER 128 Ca 0.00 -1.88 -0.16 0.00 -0.26 0.00 0.00 58.87 56.57 3hww n SER 128 Cb 0.00 -0.20 -0.06 0.00 -0.26 0.00 0.00 64.21 63.69 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 2.56 0.90 -4.09 7.33 -0.00 -1.68 -3.43 115.15 116.73 3hww h HIS 129 Ca 0.00 -0.44 -0.53 0.00 -0.00 0.00 0.00 60.37 59.41 3hww h HIS 129 Cb 0.57 -0.12 0.11 0.00 -0.00 0.00 0.00 27.41 27.97 3hww h HIS 129 CO 0.20 1.26 0.48 -2.14 -0.00 0.00 0.00 177.93 177.73 3hww s PRO 130 N -3.52 3.04 0.14 2.45 0.02 -1.26 -4.67 135.00 131.20 3hww s PRO 130 Ca -0.09 1.83 -0.15 0.00 0.02 0.00 0.00 61.00 62.61 3hww s PRO 130 Cb 0.08 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.63 3hww s PRO 130 CO 0.89 -1.15 1.67 1.15 -0.33 0.00 0.00 177.00 179.23 3hww h THR 131 N 0.98 1.21 -4.00 0.99 2.02 -0.96 -3.45 112.91 109.70 3hww h THR 131 Ca -0.50 -0.66 -0.41 0.00 0.77 0.00 0.00 66.41 65.60 3hww h THR 131 Cb 1.29 0.86 -0.23 0.00 -1.74 0.00 0.00 68.15 68.33 3hww h THR 131 CO 0.56 0.24 -0.78 -1.00 0.37 0.00 0.00 175.52 174.90 3hww s HIS 132 N -5.48 1.14 -0.08 3.16 3.76 -1.17 -5.04 115.29 111.57 3hww s HIS 132 Ca -0.13 -0.39 0.03 0.00 -0.15 0.00 0.00 55.06 54.42 3hww s HIS 132 Cb 0.10 -0.67 0.01 0.00 1.11 0.00 0.00 32.58 33.13 3hww s HIS 132 CO 0.76 0.03 -0.18 -1.12 -0.85 0.00 0.00 174.74 173.38 3hww s SER 133 N -1.33 2.42 -0.27 1.40 0.01 -1.26 -1.40 113.70 113.27 3hww s SER 133 Ca -0.01 -0.43 -0.02 0.00 1.31 0.00 0.00 55.95 56.80 3hww s SER 133 Cb -0.08 -1.11 0.03 0.00 0.21 0.00 0.00 66.02 65.06 3hww s SER 133 CO 0.01 0.09 -0.03 -0.63 0.41 0.00 0.00 173.24 173.10 3hww s ILE 134 N 0.54 3.07 -0.67 1.44 1.01 0.28 -4.95 121.20 121.94 3hww s ILE 134 Ca -0.16 -1.05 -0.20 0.00 0.00 0.00 0.00 60.65 59.24 3hww s ILE 134 Cb -0.17 -2.61 0.10 0.00 0.01 0.00 0.00 42.46 39.79 3hww s ILE 134 CO 0.06 0.11 0.86 -0.44 0.00 0.00 0.00 174.94 175.53 3hww s SER 135 N 1.34 6.25 0.51 3.58 0.01 -1.26 -1.03 113.70 123.09 3hww s SER 135 Ca -0.01 -1.37 -0.22 0.00 1.31 0.00 0.00 55.95 55.67 3hww s SER 135 Cb -0.17 -2.36 -0.06 0.00 0.21 0.00 0.00 66.02 63.64 3hww s SER 135 CO -0.03 -1.23 1.25 -0.76 0.41 0.00 0.00 173.24 172.89 3hww s LEU 136 N 3.17 3.90 0.77 2.44 1.43 -0.09 -4.97 118.68 125.33 3hww s LEU 136 Ca 0.18 2.51 -0.11 0.00 -1.03 0.00 0.00 54.13 55.69 3hww s LEU 136 Cb -0.19 -4.30 0.05 0.00 0.03 0.00 0.00 46.19 41.79 3hww s LEU 136 CO 0.06 -1.28 1.08 -2.16 0.23 0.00 0.00 176.35 174.28 3hww s PRO 137 N -2.86 2.28 0.05 1.29 0.04 -1.26 -4.47 135.00 130.08 3hww s PRO 137 Ca 0.69 1.03 -0.37 0.00 0.04 0.00 0.00 61.00 62.39 3hww s PRO 137 Cb -0.34 -1.91 -0.16 0.00 0.04 0.00 0.00 34.50 32.13 3hww s PRO 137 CO 0.40 -1.59 1.43 -2.13 0.04 0.00 0.00 177.00 175.16 3hww n ARG 138 N -3.47 1.32 -1.72 4.56 0.63 -1.26 -4.69 116.66 112.03 3hww n ARG 138 Ca 0.08 0.48 -0.43 0.00 -0.92 0.00 0.00 57.85 57.06 3hww n ARG 138 Cb 0.54 -2.15 -0.02 0.00 0.45 0.00 0.00 32.46 31.27 3hww n ARG 138 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 3hww n PRO 139 N 3.06 2.55 -3.68 -0.14 -0.02 -1.26 -5.00 135.00 130.51 3hww n PRO 139 Ca 0.19 0.91 -0.15 0.00 -2.02 0.00 0.00 63.50 62.43 3hww n PRO 139 Cb 0.20 -2.69 -0.08 0.00 -0.02 0.00 0.00 33.50 30.91 3hww n PRO 139 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3hww s THR 140 N 0.39 0.04 -0.03 3.45 -1.32 -1.26 -4.95 115.64 111.96 3hww s THR 140 Ca 0.69 -0.32 0.31 0.00 -1.21 0.00 0.00 61.69 61.17 3hww s THR 140 Cb -0.54 -0.74 0.37 0.00 -1.51 0.00 0.00 72.50 70.07 3hww s THR 140 CO 0.43 -0.17 1.92 1.56 -2.21 0.00 0.00 174.62 176.15 3hww h GLN 141 N 3.59 0.00 0.00 7.08 4.20 -1.99 -2.72 115.11 125.26 3hww h GLN 141 Ca -0.29 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.42 3hww h GLN 141 Cb 1.16 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.94 3hww h GLN 141 CO 0.40 0.00 0.00 -0.25 -0.67 0.00 0.00 178.83 178.31 3hww n ASP 142 N -2.94 0.18 -4.59 1.46 8.00 -1.26 -4.44 116.55 112.96 3hww n ASP 142 Ca 0.01 0.55 -0.37 0.00 0.71 0.00 0.00 54.79 55.69 3hww n ASP 142 Cb 0.31 -0.58 -0.11 0.00 -0.02 0.00 0.00 41.12 40.72 3hww n ASP 142 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3hww s ILE 143 N -3.09 5.05 0.40 0.53 1.01 -1.03 -5.09 121.20 118.99 3hww s ILE 143 Ca 0.06 0.08 -0.24 0.00 0.00 0.00 0.00 60.65 60.55 3hww s ILE 143 Cb 0.09 -3.37 -0.09 0.00 0.01 0.00 0.00 42.46 39.11 3hww s ILE 143 CO 0.30 0.33 1.08 -2.16 0.00 0.00 0.00 174.94 174.48 3hww s PRO 144 N 1.30 4.11 0.54 2.79 0.04 -1.26 -4.88 135.00 137.64 3hww s PRO 144 Ca 0.06 1.59 0.29 0.00 0.04 0.00 0.00 61.00 62.99 3hww s PRO 144 Cb -0.14 -2.55 1.46 0.00 0.04 0.00 0.00 34.50 33.30 3hww s PRO 144 CO 0.06 -0.21 1.93 0.00 0.04 0.00 0.00 177.00 178.82 3hww h ALA 145 N 2.48 2.72 -0.14 8.56 0.00 -1.92 0.55 119.26 131.51 3hww h ALA 145 Ca -0.48 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.32 3hww h ALA 145 Cb 1.22 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3hww h ALA 145 CO 0.62 -0.95 -0.26 0.07 0.00 0.00 0.00 179.25 178.73 3hww h ARG 146 N 0.00 0.25 0.18 0.00 0.11 -1.93 -0.45 114.38 112.55 3hww h ARG 146 Ca 0.36 -0.08 -0.01 0.00 0.10 0.00 0.00 59.98 60.35 3hww h ARG 146 Cb 1.47 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.53 3hww h ARG 146 CO -0.00 0.50 -0.09 2.35 0.10 0.00 0.00 179.97 182.82 3hww h TRP 147 N 0.22 -0.23 -0.40 4.08 7.01 -1.26 -0.68 115.95 124.70 3hww h TRP 147 Ca 0.04 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.03 3hww h TRP 147 Cb 0.58 0.08 -0.02 0.00 -2.10 0.00 0.00 29.16 27.70 3hww h TRP 147 CO 0.01 -0.05 0.26 1.25 -2.79 0.00 0.00 178.44 177.12 3hww h LEU 148 N -0.36 0.46 -0.47 0.65 5.85 -1.33 0.12 115.31 120.23 3hww h LEU 148 Ca -0.03 -0.02 -0.16 0.00 0.84 0.00 0.00 57.88 58.51 3hww h LEU 148 Cb 0.28 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.17 3hww h LEU 148 CO 0.04 0.35 -0.76 -0.37 -0.34 0.00 0.00 178.44 177.35 3hww h VAL 149 N 0.54 1.51 -0.73 1.05 -1.51 -1.12 -2.85 116.25 113.15 3hww h VAL 149 Ca 0.15 -2.52 -0.05 0.00 -1.23 0.00 0.00 66.70 63.04 3hww h VAL 149 Cb -0.05 2.37 -0.03 0.00 -2.13 0.00 0.00 31.29 31.44 3hww h VAL 149 CO -0.03 0.73 0.25 0.28 -1.23 0.00 0.00 177.57 177.57 3hww h SER 150 N 0.04 1.04 -0.90 4.19 0.02 -0.23 0.17 113.55 117.88 3hww h SER 150 Ca -0.02 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.73 3hww h SER 150 Cb 1.34 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 63.57 3hww h SER 150 CO 0.10 0.96 0.51 0.74 -1.14 0.00 0.00 176.83 178.00 3hww h THR 151 N 1.07 1.26 -0.34 -2.27 2.02 -0.73 0.13 112.91 114.04 3hww h THR 151 Ca 0.24 -0.61 -0.09 0.00 0.77 0.00 0.00 66.41 66.72 3hww h THR 151 Cb 0.27 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 3hww h THR 151 CO -0.01 0.28 -0.15 0.40 0.37 0.00 0.00 175.52 176.41 3hww h ILE 152 N 1.25 1.29 -0.51 3.11 2.04 -1.28 -2.67 117.51 120.74 3hww h ILE 152 Ca 0.32 -1.25 -0.03 0.00 1.00 0.00 0.00 64.86 64.90 3hww h ILE 152 Cb 0.00 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 3hww h ILE 152 CO -0.05 0.41 0.19 0.44 0.00 0.00 0.00 178.15 179.13 3hww h ASP 153 N 0.47 0.67 0.37 1.72 3.32 -0.67 -1.59 116.42 120.70 3hww h ASP 153 Ca 0.08 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 3hww h ASP 153 Cb 0.67 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.05 3hww h ASP 153 CO 0.05 0.61 -0.24 -0.74 -1.72 0.00 0.00 179.24 177.20 3hww h HIS 154 N 0.72 -0.64 -0.69 4.55 -0.00 -0.61 -0.24 115.15 118.25 3hww h HIS 154 Ca 0.17 -0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.59 3hww h HIS 154 Cb 0.17 0.23 -0.05 0.00 -0.00 0.00 0.00 27.41 27.76 3hww h HIS 154 CO 0.01 -0.37 0.40 0.00 -0.00 0.00 0.00 177.93 177.97 3hww h ALA 155 N -0.00 0.92 0.00 5.26 0.00 -1.13 -2.13 119.26 122.18 3hww h ALA 155 Ca -0.04 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 3hww h ALA 155 Cb 0.50 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3hww h ALA 155 CO 0.03 0.11 -0.96 -0.07 0.00 0.00 0.00 179.25 178.35 3hww h LEU 156 N 0.75 0.00 0.12 0.00 -0.00 -1.32 -3.10 115.31 111.76 3hww h LEU 156 Ca 0.30 0.00 -0.29 0.00 -0.00 0.00 0.00 57.88 57.89 3hww h LEU 156 Cb 0.14 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 40.83 3hww h LEU 156 CO -0.16 0.86 -1.22 1.23 -0.00 0.00 0.00 178.44 179.15 3hww h GLY 157 N 3.20 0.69 1.21 0.83 0.00 -0.88 -2.94 103.07 105.18 3hww h GLY 157 Ca -0.04 -1.45 0.00 0.00 0.00 0.00 0.00 47.33 45.84 3hww h GLY 157 CO 0.11 1.27 0.00 -1.30 0.00 0.00 0.00 176.54 176.62 3hww n THR 158 N -3.82 0.01 -2.34 4.70 -2.24 -0.82 -4.32 114.28 105.46 3hww n THR 158 Ca -0.14 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.24 3hww n THR 158 Cb 0.97 -0.52 -0.03 0.00 -2.10 0.00 0.00 70.33 68.66 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 -2.21 3.27 0.19 3.22 2.96 -1.11 -4.85 118.68 120.15 3hww s LEU 159 Ca 0.40 0.01 -0.07 0.00 -0.22 0.00 0.00 54.13 54.24 3hww s LEU 159 Cb 0.21 -2.68 0.11 0.00 0.50 0.00 0.00 46.19 44.33 3hww s LEU 159 CO 0.39 -1.98 1.64 -0.74 -1.32 0.00 0.00 176.35 174.34 3hww h HIS 160 N 11.92 1.07 -1.07 5.38 -0.00 -1.90 -3.48 115.15 127.06 3hww h HIS 160 Ca -0.27 -0.21 0.26 0.00 -0.00 0.00 0.00 60.37 60.15 3hww h HIS 160 Cb 1.10 -0.27 -0.26 0.00 -0.00 0.00 0.00 27.41 27.98 3hww h HIS 160 CO 1.08 1.00 0.95 0.00 -0.00 0.00 0.00 177.93 180.96 3hww s ALA 161 N -4.86 -2.13 0.00 5.26 0.00 -1.26 -5.06 121.76 113.70 3hww s ALA 161 Ca -0.11 1.89 0.00 0.00 0.00 0.00 0.00 51.96 53.74 3hww s ALA 161 Cb 0.13 -1.30 0.00 0.00 0.00 0.00 0.00 23.12 21.96 3hww s ALA 161 CO 0.85 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.72 3hww n GLY 162 N 0.42 -3.27 3.97 0.00 0.00 -1.02 -4.72 105.19 100.57 3hww n GLY 162 Ca 0.01 -1.91 -0.22 0.00 0.00 0.00 0.00 46.02 43.90 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 -0.59 1.81 -0.02 -0.02 0.00 -1.20 -3.64 107.32 103.66 3hww s GLY 163 Ca 0.00 -1.33 0.00 0.00 0.00 0.00 0.00 44.72 43.39 3hww s GLY 163 CO 0.00 -1.02 0.02 0.14 0.00 0.00 0.00 173.10 172.25 3hww s VAL 164 N -2.83 -0.01 -0.29 1.40 1.01 0.17 -0.32 120.40 119.52 3hww s VAL 164 Ca 0.58 0.19 -0.09 0.00 0.00 0.00 0.00 61.98 62.67 3hww s VAL 164 Cb -0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 36.38 36.15 3hww s VAL 164 CO 0.39 0.10 0.12 -2.28 0.00 0.00 0.00 175.10 173.43 3hww s HIS 165 N 1.04 3.15 -0.32 5.22 5.65 -0.49 -1.20 115.29 128.35 3hww s HIS 165 Ca -0.09 -0.56 -0.05 0.00 0.25 0.00 0.00 55.06 54.61 3hww s HIS 165 Cb -0.13 -2.30 0.04 0.00 -1.18 0.00 0.00 32.58 29.00 3hww s HIS 165 CO -0.03 -0.43 0.06 0.42 -0.65 0.00 0.00 174.74 174.11 3hww s ILE 166 N 1.60 3.56 -0.02 0.89 1.01 0.10 -0.56 121.20 127.78 3hww s ILE 166 Ca 0.05 -1.11 -0.22 0.00 0.00 0.00 0.00 60.65 59.37 3hww s ILE 166 Cb -0.16 -2.98 -0.05 0.00 0.01 0.00 0.00 42.46 39.28 3hww s ILE 166 CO 0.05 -0.09 0.66 0.21 0.00 0.00 0.00 174.94 175.77 3hww s ASN 167 N 1.38 7.01 -0.46 3.58 2.47 -0.20 -1.45 114.94 127.27 3hww s ASN 167 Ca -0.02 1.21 0.03 0.00 0.42 0.00 0.00 52.86 54.49 3hww s ASN 167 Cb -0.19 -2.40 0.14 0.00 -1.45 0.00 0.00 41.25 37.36 3hww s ASN 167 CO 0.01 -0.00 0.28 0.00 -3.72 0.00 0.00 177.10 173.67 3hww s PRO 169 N 0.15 3.84 -0.03 0.00 0.04 -1.26 -1.33 135.00 136.41 3hww s PRO 169 Ca 0.20 1.30 0.01 0.00 0.04 0.00 0.00 61.00 62.55 3hww s PRO 169 Cb -0.19 -2.10 0.01 0.00 0.04 0.00 0.00 34.50 32.26 3hww s PRO 169 CO -0.04 -0.39 -0.04 -0.06 0.04 0.00 0.00 177.00 176.51 3hww s PHE 170 N -2.06 0.59 0.23 0.56 0.08 -1.06 -4.38 117.98 111.94 3hww s PHE 170 Ca 0.66 -0.13 -0.31 0.00 0.12 0.00 0.00 56.93 57.27 3hww s PHE 170 Cb -0.15 -0.50 -0.10 0.00 -0.57 0.00 0.00 43.02 41.69 3hww s PHE 170 CO 0.20 -0.11 1.53 0.00 -0.10 0.00 0.00 175.22 176.74 3hww s ALA 171 N 0.55 3.72 0.34 5.36 0.00 -1.26 -3.18 121.76 127.29 3hww s ALA 171 Ca -0.07 1.41 -0.26 0.00 0.00 0.00 0.00 51.96 53.04 3hww s ALA 171 Cb -0.10 -3.60 -0.09 0.00 0.00 0.00 0.00 23.12 19.32 3hww s ALA 171 CO -0.00 -0.82 1.01 -1.21 0.00 0.00 0.00 175.76 174.74 3hww s GLU 172 N 0.16 4.46 0.22 0.00 0.41 -1.26 -4.40 118.70 118.29 3hww s GLU 172 Ca 0.64 1.48 -0.15 0.00 -0.41 0.00 0.00 54.97 56.54 3hww s GLU 172 Cb -0.44 -2.80 -0.08 0.00 -1.78 0.00 0.00 34.13 29.03 3hww s GLU 172 CO 0.40 0.13 0.63 -1.25 -0.49 0.00 0.00 175.26 174.68 3hww s PRO 173 N -2.06 4.01 -0.06 0.39 0.04 -1.26 -5.03 135.00 131.03 3hww s PRO 173 Ca 0.51 0.57 0.09 0.00 0.04 0.00 0.00 61.00 62.21 3hww s PRO 173 Cb -0.22 -2.76 0.35 0.00 0.04 0.00 0.00 34.50 31.91 3hww s PRO 173 CO 0.28 0.36 1.18 1.28 0.04 0.00 0.00 177.00 180.14 3hww n LEU 174 N 0.36 2.58 -3.67 -3.56 4.77 -1.26 -4.19 117.00 112.03 3hww n LEU 174 Ca -0.02 -1.30 -0.12 0.00 -0.03 0.00 0.00 56.01 54.54 3hww n LEU 174 Cb 0.52 -0.41 -0.06 0.00 -2.33 0.00 0.00 43.42 41.13 3hww n LEU 174 CO 0.43 0.45 0.14 -0.72 -1.33 0.00 0.00 177.39 176.36 3hww s TYR 175 N -1.69 -0.23 0.00 -1.77 -0.85 -1.26 -4.83 117.35 106.73 3hww s TYR 175 Ca 0.25 0.13 0.00 0.00 -0.52 0.00 0.00 57.07 56.93 3hww s TYR 175 Cb 0.16 0.21 0.00 0.00 0.38 0.00 0.00 41.96 42.71 3hww s TYR 175 CO 0.12 -0.58 0.00 0.41 -1.52 0.00 0.00 175.55 173.97 3hww n GLY 176 N 0.39 0.99 0.26 5.49 0.00 -1.26 -4.75 105.19 106.32 3hww n GLY 176 Ca -0.18 -0.59 0.03 0.00 0.00 0.00 0.00 46.02 45.27 3hww n GLY 176 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3hww h GLU 177 N 0.00 0.31 -0.25 1.61 4.39 -1.97 -3.48 114.58 115.20 3hww h GLU 177 Ca 0.00 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.58 3hww h GLU 177 Cb 0.00 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 3hww h GLU 177 CO 0.00 0.35 -0.07 -0.12 -1.16 0.00 0.00 179.01 178.01 3hww n MET 178 N -4.34 -0.25 0.00 2.33 0.00 -1.26 -5.04 117.12 108.55 3hww n MET 178 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 57.70 58.22 3hww n MET 178 Cb 0.20 -4.17 0.00 0.00 0.00 0.00 0.00 33.22 29.25 3hww n MET 178 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 175.97 175.57 3hww n ASP 179 N 1.41 0.00 -0.40 6.12 3.85 -1.26 -5.00 116.55 121.27 3hww n ASP 179 Ca -0.04 0.00 0.12 0.00 -0.71 0.00 0.00 54.79 54.16 3hww n ASP 179 Cb 0.22 0.00 0.51 0.00 -1.35 0.00 0.00 41.12 40.49 3hww n ASP 179 CO 0.00 0.00 0.00 0.47 -1.01 0.00 0.00 177.20 176.66 3hww n ASP 180 N 0.00 1.21 -4.66 -1.12 8.00 -1.26 -4.93 116.55 113.79 3hww n ASP 180 Ca 0.00 -1.53 -0.47 0.00 0.71 0.00 0.00 54.79 53.50 3hww n ASP 180 Cb 0.00 -0.05 -0.05 0.00 -0.02 0.00 0.00 41.12 41.01 3hww n ASP 180 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3hww n THR 181 N -0.01 0.12 -0.98 -3.53 -1.04 -1.26 -0.53 114.28 107.04 3hww n THR 181 Ca 0.18 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 3hww n THR 181 Cb 0.28 -1.52 0.00 0.00 -1.82 0.00 0.00 70.33 67.27 3hww n THR 181 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3hww n GLY 182 N 3.52 0.81 0.12 3.41 0.00 -1.26 -3.33 105.19 108.46 3hww n GLY 182 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.07 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 0.00 -0.16 -1.40 0.99 5.85 -1.18 -1.89 115.31 117.52 3hww h LEU 183 Ca 0.00 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.50 3hww h LEU 183 Cb 0.02 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.09 3hww h LEU 183 CO 0.00 0.13 -0.03 0.77 -0.34 0.00 0.00 178.44 178.97 3hww h SER 184 N -0.46 0.00 -0.16 1.25 4.64 -1.93 -2.35 113.55 114.53 3hww h SER 184 Ca -0.02 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 3hww h SER 184 Cb 0.37 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 3hww h SER 184 CO 0.03 0.03 0.08 -0.25 -0.87 0.00 0.00 176.83 175.86 3hww h TRP 185 N 0.00 0.23 -0.41 4.77 7.01 -1.90 -2.73 115.95 122.92 3hww h TRP 185 Ca -0.00 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 3hww h TRP 185 Cb 0.55 -0.07 -0.02 0.00 -2.10 0.00 0.00 29.16 27.51 3hww h TRP 185 CO 0.00 0.24 0.19 1.96 -2.79 0.00 0.00 178.44 178.05 3hww h GLN 186 N 0.15 0.56 0.00 2.65 4.20 -1.00 -3.11 115.11 118.57 3hww h GLN 186 Ca 0.06 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 3hww h GLN 186 Cb 0.10 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 3hww h GLN 186 CO -0.01 0.44 -0.09 1.96 -0.67 0.00 0.00 178.83 180.46 3hww h GLN 187 N 0.57 0.00 0.00 1.46 4.20 -1.14 -1.49 115.11 118.71 3hww h GLN 187 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3hww h GLN 187 Cb 0.07 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.85 3hww h GLN 187 CO -0.02 0.09 0.00 0.54 -0.67 0.00 0.00 178.83 178.78 3hww n ARG 188 N -3.35 0.18 0.20 1.46 3.00 -1.10 -1.57 116.66 115.49 3hww n ARG 188 Ca -0.01 0.50 0.14 0.00 -0.01 0.00 0.00 57.85 58.47 3hww n ARG 188 Cb 0.28 -1.90 0.59 0.00 0.00 0.00 0.00 32.46 31.43 3hww n ARG 188 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 3hww h LEU 189 N 0.00 0.00 0.00 0.55 3.38 -1.48 -3.48 115.31 114.28 3hww h LEU 189 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3hww h LEU 189 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3hww h LEU 189 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3hww n GLY 190 N 0.00 1.71 0.47 0.83 0.00 -0.61 -3.01 105.19 104.59 3hww n GLY 190 Ca 0.01 -0.59 0.05 0.00 0.00 0.00 0.00 46.02 45.49 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 0.33 1.37 -0.24 1.61 5.68 -1.26 -2.74 116.55 121.31 3hww n ASP 191 Ca 0.00 -1.95 0.31 0.00 -0.50 0.00 0.00 54.79 52.65 3hww n ASP 191 Cb 0.00 -0.16 0.73 0.00 -1.14 0.00 0.00 41.12 40.55 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 1.53 0.02 -0.19 2.11 7.01 -1.94 -1.63 115.95 122.85 3hww h TRP 192 Ca 0.00 0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.03 3hww h TRP 192 Cb 0.35 -0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.40 3hww h TRP 192 CO 0.16 0.00 0.13 -1.49 -2.79 0.00 0.00 178.44 174.45 3hww h TRP 193 N 0.01 0.11 -0.13 2.65 4.06 -1.76 -1.15 115.95 119.74 3hww h TRP 193 Ca 0.48 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.43 3hww h TRP 193 Cb 1.91 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 30.03 3hww h TRP 193 CO -0.00 0.07 0.00 1.04 -3.56 0.00 0.00 178.44 175.99 3hww n GLN 194 N -4.50 2.34 -0.03 0.49 3.00 -0.65 -4.93 117.38 113.10 3hww n GLN 194 Ca 0.01 -2.02 0.00 0.00 -0.01 0.00 0.00 57.00 54.98 3hww n GLN 194 Cb 0.18 -1.47 0.00 0.00 0.00 0.00 0.00 30.24 28.95 3hww n GLN 194 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 3hww n ASP 195 N 1.38 0.00 0.00 1.08 2.03 -0.44 -5.03 116.55 115.57 3hww n ASP 195 Ca 0.15 -0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.23 3hww n ASP 195 Cb 0.60 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 3hww n ASP 195 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 3hww n ASP 196 N -0.72 0.00 -4.36 1.67 2.03 -1.26 -5.04 116.55 108.88 3hww n ASP 196 Ca 0.00 0.00 -0.19 0.00 0.52 0.00 0.00 54.79 55.12 3hww n ASP 196 Cb 0.00 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.30 3hww n ASP 196 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 3hww s LYS 197 N -0.35 1.37 1.03 -0.67 1.02 -1.26 -4.85 119.74 116.03 3hww s LYS 197 Ca 0.00 -1.60 -0.14 0.00 0.02 0.00 0.00 55.97 54.25 3hww s LYS 197 Cb 0.00 -1.21 0.11 0.00 -0.52 0.00 0.00 37.83 36.20 3hww s LYS 197 CO 0.00 0.21 0.45 -2.30 -0.92 0.00 0.00 175.35 172.79 3hww n PRO 198 N -0.36 -1.01 0.04 -1.68 -0.02 -1.26 -4.93 135.00 125.77 3hww n PRO 198 Ca -0.08 -0.26 -0.12 0.00 -2.02 0.00 0.00 63.50 61.02 3hww n PRO 198 Cb 0.60 -1.91 -0.09 0.00 -0.02 0.00 0.00 33.50 32.08 3hww n PRO 198 CO 0.00 0.00 0.00 2.35 1.98 0.00 0.00 175.50 179.83 3hww h TRP 199 N -1.92 -0.14 -3.46 6.00 2.91 -1.96 -3.42 115.95 113.97 3hww h TRP 199 Ca -0.49 -0.00 -0.65 0.00 1.13 0.00 0.00 58.89 58.88 3hww h TRP 199 Cb 1.31 0.05 -0.24 0.00 -0.51 0.00 0.00 29.16 29.77 3hww h TRP 199 CO 0.31 0.33 -0.67 -1.17 -1.03 0.00 0.00 178.44 176.22 3hww s LEU 200 N -9.12 3.21 -0.44 0.65 2.96 -1.26 -5.07 118.68 109.62 3hww s LEU 200 Ca -0.14 -0.24 -0.16 0.00 -0.22 0.00 0.00 54.13 53.36 3hww s LEU 200 Cb 0.01 -1.82 0.04 0.00 0.50 0.00 0.00 46.19 44.91 3hww s LEU 200 CO 0.58 0.03 0.39 -0.13 -1.32 0.00 0.00 176.35 175.90 3hww s ARG 201 N 1.21 3.03 -0.30 1.98 0.52 -1.26 -4.74 118.95 119.38 3hww s ARG 201 Ca 0.03 -1.00 0.02 0.00 -0.52 0.00 0.00 55.73 54.27 3hww s ARG 201 Cb -0.15 -4.02 0.09 0.00 0.52 0.00 0.00 34.95 31.39 3hww s ARG 201 CO 0.01 -0.88 0.02 -2.00 0.02 0.00 0.00 175.30 172.47 3hww s GLU 202 N 1.90 1.43 -0.36 3.54 2.12 -1.26 -5.03 118.70 121.03 3hww s GLU 202 Ca 0.08 -1.47 0.13 0.00 0.36 0.00 0.00 54.97 54.07 3hww s GLU 202 Cb -0.20 -2.79 0.38 0.00 0.26 0.00 0.00 34.13 31.78 3hww s GLU 202 CO 0.11 -0.84 0.83 0.00 -0.54 0.00 0.00 175.26 174.82 3hww n ALA 203 N 4.48 2.19 -1.75 6.30 0.00 -1.26 -3.04 120.51 127.43 3hww n ALA 203 Ca -0.03 -3.14 -0.37 0.00 0.00 0.00 0.00 53.44 49.90 3hww n ALA 203 Cb 0.42 -0.95 0.04 0.00 0.00 0.00 0.00 19.45 18.96 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 -2.37 3.10 -0.06 0.00 0.04 -1.26 -4.99 135.00 129.46 3hww s PRO 204 Ca 0.35 2.04 -0.14 0.00 0.04 0.00 0.00 61.00 63.29 3hww s PRO 204 Cb 0.38 -2.14 -0.05 0.00 0.04 0.00 0.00 34.50 32.73 3hww s PRO 204 CO -0.04 -1.16 0.35 1.03 0.04 0.00 0.00 177.00 177.21 3hww s ARG 205 N -3.05 3.93 -0.35 4.56 1.81 -1.26 -4.92 118.95 119.67 3hww s ARG 205 Ca 0.74 0.27 -0.13 0.00 -1.72 0.00 0.00 55.73 54.89 3hww s ARG 205 Cb -0.36 -3.27 -0.01 0.00 -0.45 0.00 0.00 34.95 30.87 3hww s ARG 205 CO 0.41 0.59 0.24 -1.17 -0.68 0.00 0.00 175.30 174.69 3hww s LEU 206 N -0.67 4.60 -0.15 2.53 2.96 -1.26 -5.05 118.68 121.63 3hww s LEU 206 Ca 0.21 -0.52 -0.11 0.00 -0.22 0.00 0.00 54.13 53.49 3hww s LEU 206 Cb -0.15 -2.13 0.05 0.00 0.50 0.00 0.00 46.19 44.45 3hww s LEU 206 CO 0.10 -0.27 0.38 -1.61 -1.32 0.00 0.00 176.35 173.63 3hww s GLU 207 N 1.70 0.40 0.59 1.98 2.02 -1.26 -4.78 118.70 119.36 3hww s GLU 207 Ca 0.06 0.62 -0.18 0.00 0.02 0.00 0.00 54.97 55.49 3hww s GLU 207 Cb -0.18 0.09 -0.04 0.00 0.10 0.00 0.00 34.13 34.11 3hww s GLU 207 CO 0.10 -0.10 1.14 -1.12 0.02 0.00 0.00 175.26 175.29 3hww s SER 208 N 0.76 5.42 0.65 -0.19 0.01 -0.21 -4.99 113.70 115.14 3hww s SER 208 Ca -0.05 2.16 -0.11 0.00 1.31 0.00 0.00 55.95 59.27 3hww s SER 208 Cb -0.06 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.58 3hww s SER 208 CO -0.05 -1.42 1.05 -1.61 0.41 0.00 0.00 173.24 171.61 3hww s GLU 209 N -3.54 3.29 0.11 12.44 2.02 -1.26 -4.94 118.70 126.83 3hww s GLU 209 Ca 0.72 0.80 -0.36 0.00 0.02 0.00 0.00 54.97 56.16 3hww s GLU 209 Cb -0.24 -2.04 -0.16 0.00 0.10 0.00 0.00 34.13 31.79 3hww s GLU 209 CO 0.32 -0.80 1.35 1.17 0.02 0.00 0.00 175.26 177.32 3hww n LYS 210 N -2.91 1.33 -2.59 1.61 4.81 -1.26 -4.91 118.16 114.25 3hww n LYS 210 Ca 0.07 0.48 -0.43 0.00 -0.87 0.00 0.00 58.31 57.55 3hww n LYS 210 Cb 0.54 -2.12 -0.02 0.00 0.02 0.00 0.00 35.03 33.45 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 0.39 3.71 0.49 1.64 -1.52 -1.26 -4.90 119.66 118.22 3hww s GLN 211 Ca 0.81 0.58 0.33 0.00 -1.95 0.00 0.00 55.36 55.14 3hww s GLN 211 Cb -0.89 -3.92 1.49 0.00 -0.22 0.00 0.00 33.01 29.48 3hww s GLN 211 CO 0.46 -1.40 1.98 0.00 -0.25 0.00 0.00 175.29 176.09 3hww h ARG 212 N 9.32 0.00 -0.65 2.91 3.08 -2.00 -2.13 114.38 124.90 3hww h ARG 212 Ca -0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.82 3hww h ARG 212 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.11 3hww h ARG 212 CO 1.13 0.00 0.00 -0.40 -1.07 0.00 0.00 179.97 179.63 3hww n ASP 213 N -2.84 4.61 0.00 7.04 5.75 -1.26 -4.33 116.55 125.53 3hww n ASP 213 Ca 0.00 -2.64 0.01 0.00 -0.01 0.00 0.00 54.79 52.15 3hww n ASP 213 Cb 0.22 -0.62 0.34 0.00 -1.03 0.00 0.00 41.12 40.03 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 3.29 0.53 0.00 2.11 2.91 -1.80 -2.35 115.95 120.64 3hww h TRP 214 Ca 0.00 -0.03 -0.03 0.00 1.13 0.00 0.00 58.89 59.96 3hww h TRP 214 Cb 1.57 -0.16 -0.00 0.00 -0.51 0.00 0.00 29.16 30.06 3hww h TRP 214 CO 0.82 0.47 -0.13 0.74 -1.03 0.00 0.00 178.44 179.31 3hww h PHE 215 N 0.51 0.00 0.19 2.65 -1.00 -1.84 0.12 116.94 117.57 3hww h PHE 215 Ca 0.12 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.89 3hww h PHE 215 Cb 0.22 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.78 3hww h PHE 215 CO 0.01 0.13 -0.09 0.35 -1.61 0.00 0.00 178.31 177.09 3hww h PHE 216 N 0.00 -0.24 -0.83 -0.55 3.57 -1.78 -3.39 116.94 113.71 3hww h PHE 216 Ca -0.00 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 3hww h PHE 216 Cb 0.60 0.08 -0.04 0.00 2.79 0.00 0.00 35.95 39.38 3hww h PHE 216 CO 0.00 0.10 0.47 -1.49 -2.23 0.00 0.00 178.31 175.16 3hww h TRP 217 N -0.97 1.13 0.00 0.41 4.06 -0.89 -0.92 115.95 118.77 3hww h TRP 217 Ca -0.03 -0.02 0.00 0.00 2.06 0.00 0.00 58.89 60.90 3hww h TRP 217 Cb 0.45 -0.36 0.00 0.00 -1.00 0.00 0.00 29.16 28.25 3hww h TRP 217 CO 0.06 0.78 0.03 2.89 -3.56 0.00 0.00 178.44 178.64 3hww n ARG 218 N -4.40 0.02 -0.25 0.49 1.85 0.37 -1.34 116.66 113.39 3hww n ARG 218 Ca 0.08 0.49 0.10 0.00 -1.00 0.00 0.00 57.85 57.53 3hww n ARG 218 Cb 0.08 -1.59 0.24 0.00 -1.05 0.00 0.00 32.46 30.14 3hww n ARG 218 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3hww n GLN 219 N -1.57 2.56 -2.76 2.89 10.64 -0.35 -4.98 117.38 123.81 3hww n GLN 219 Ca -0.00 -2.34 -0.22 0.00 -1.83 0.00 0.00 57.00 52.61 3hww n GLN 219 Cb 0.03 -1.47 0.10 0.00 -0.86 0.00 0.00 30.24 28.04 3hww n GLN 219 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.06 175.38 3hww s LYS 220 N -1.15 1.83 -0.81 2.61 -0.14 -0.45 -5.00 119.74 116.63 3hww s LYS 220 Ca 0.38 -1.36 -0.26 0.00 -1.36 0.00 0.00 55.97 53.37 3hww s LYS 220 Cb 0.21 -2.44 0.03 0.00 -1.68 0.00 0.00 37.83 33.95 3hww s LYS 220 CO 0.28 -1.30 1.38 1.03 -0.76 0.00 0.00 175.35 175.99 3hww s ARG 221 N -5.00 3.24 0.31 1.68 0.52 -1.26 -4.97 118.95 113.47 3hww s ARG 221 Ca 0.66 -0.41 0.08 0.00 -0.52 0.00 0.00 55.73 55.53 3hww s ARG 221 Cb -0.05 -4.52 -0.03 0.00 0.52 0.00 0.00 34.95 30.87 3hww s ARG 221 CO 0.43 -2.24 0.23 0.20 0.02 0.00 0.00 175.30 173.94 3hww s GLY 222 N 4.47 1.72 -0.00 -3.53 0.00 -1.26 0.71 107.32 109.42 3hww s GLY 222 Ca 0.41 -1.63 0.05 0.00 0.00 0.00 0.00 44.72 43.55 3hww s GLY 222 CO 0.09 -1.59 -0.16 0.14 0.00 0.00 0.00 173.10 171.57 3hww s VAL 223 N -2.29 1.28 -0.20 1.40 1.01 -0.82 -4.19 120.40 116.59 3hww s VAL 223 Ca 0.38 -0.77 -0.07 0.00 0.00 0.00 0.00 61.98 61.52 3hww s VAL 223 Cb -0.06 -1.08 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 3hww s VAL 223 CO 0.25 0.30 0.06 -0.69 0.00 0.00 0.00 175.10 175.02 3hww s VAL 224 N -0.47 4.57 -0.18 2.92 1.01 -0.80 -0.61 120.40 126.84 3hww s VAL 224 Ca 0.06 -0.10 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 3hww s VAL 224 Cb -0.07 -3.08 -0.00 0.00 0.00 0.00 0.00 36.38 33.23 3hww s VAL 224 CO -0.00 0.42 -0.11 -0.69 0.00 0.00 0.00 175.10 174.72 3hww s VAL 225 N 0.76 2.98 -0.30 2.92 1.01 -0.73 -1.02 120.40 126.01 3hww s VAL 225 Ca 0.03 -0.65 -0.06 0.00 0.00 0.00 0.00 61.98 61.31 3hww s VAL 225 Cb -0.13 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 33.97 3hww s VAL 225 CO 0.02 0.48 0.06 0.00 0.00 0.00 0.00 175.10 175.67 3hww s ALA 226 N 1.07 3.00 0.09 5.51 0.00 0.25 -0.24 121.76 131.44 3hww s ALA 226 Ca -0.00 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.40 3hww s ALA 226 Cb -0.15 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 20.86 3hww s ALA 226 CO -0.02 -1.05 0.00 0.41 0.00 0.00 0.00 175.76 175.10 3hww n GLY 227 N 4.81 1.75 3.70 0.00 0.00 0.72 -1.59 105.19 114.58 3hww n GLY 227 Ca -0.14 -1.77 -0.42 0.00 0.00 0.00 0.00 46.02 43.69 3hww n GLY 227 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3hww s ARG 228 N 3.73 4.38 0.33 1.61 3.52 -0.83 -3.28 118.95 128.41 3hww s ARG 228 Ca 0.00 1.78 -0.09 0.00 -0.13 0.00 0.00 55.73 57.29 3hww s ARG 228 Cb 0.00 -3.44 0.04 0.00 -1.56 0.00 0.00 34.95 29.98 3hww s ARG 228 CO 0.00 -0.37 0.60 0.00 -0.81 0.00 0.00 175.30 174.71 3hww n MET 229 N 4.55 0.86 -1.77 5.12 0.00 -1.24 -3.77 117.12 120.87 3hww n MET 229 Ca 0.10 -2.08 -0.31 0.00 0.00 0.00 0.00 57.70 55.42 3hww n MET 229 Cb 0.46 2.37 0.03 0.00 0.00 0.00 0.00 33.22 36.08 3hww n MET 229 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 3hww s SER 230 N -2.81 5.80 0.26 3.17 1.04 -1.26 -4.84 113.70 115.06 3hww s SER 230 Ca 0.17 1.43 -0.03 0.00 0.48 0.00 0.00 55.95 58.01 3hww s SER 230 Cb -0.03 -2.38 0.52 0.00 0.10 0.00 0.00 66.02 64.23 3hww s SER 230 CO 0.13 -1.15 1.71 0.00 0.98 0.00 0.00 173.24 174.90 3hww h ALA 231 N -0.52 1.11 -0.17 5.32 0.00 -1.88 -0.77 119.26 122.36 3hww h ALA 231 Ca -0.44 0.14 -0.17 0.00 0.00 0.00 0.00 54.91 54.44 3hww h ALA 231 Cb 1.21 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 3hww h ALA 231 CO 0.61 -0.28 -0.61 1.49 0.00 0.00 0.00 179.25 180.46 3hww h GLU 232 N 0.38 0.58 -0.65 0.00 4.57 -1.91 -2.97 114.58 114.58 3hww h GLU 232 Ca 0.45 -0.39 -0.09 0.00 -1.18 0.00 0.00 59.36 58.14 3hww h GLU 232 Cb 0.75 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.38 3hww h GLU 232 CO -0.47 1.01 0.05 0.93 -1.18 0.00 0.00 179.01 179.36 3hww h GLU 233 N 0.43 1.10 -0.54 1.92 5.08 -1.64 -2.70 114.58 118.22 3hww h GLU 233 Ca -0.01 -0.32 0.07 0.00 -1.00 0.00 0.00 59.36 58.10 3hww h GLU 233 Cb 1.17 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 30.25 3hww h GLU 233 CO 0.12 1.04 0.22 0.78 -1.00 0.00 0.00 179.01 180.17 3hww h GLY 234 N 1.02 0.75 1.29 -3.84 0.00 -1.02 0.35 103.07 101.61 3hww h GLY 234 Ca 0.19 -0.13 -0.09 0.00 0.00 0.00 0.00 47.33 47.30 3hww h GLY 234 CO 0.02 0.03 -0.04 0.50 0.00 0.00 0.00 176.54 177.05 3hww h LYS 235 N 0.42 0.86 -0.56 4.80 1.57 -1.46 -0.53 116.57 121.67 3hww h LYS 235 Ca 0.26 -0.26 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 3hww h LYS 235 Cb 0.26 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 3hww h LYS 235 CO -0.24 0.88 0.24 0.87 -0.57 0.00 0.00 179.45 180.63 3hww h LYS 236 N 0.79 0.84 -0.76 3.15 1.57 -0.95 -0.95 116.57 120.25 3hww h LYS 236 Ca 0.14 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 3hww h LYS 236 Cb 0.53 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.67 3hww h LYS 236 CO 0.03 0.71 0.28 0.28 -0.57 0.00 0.00 179.45 180.18 3hww h VAL 237 N 0.77 1.26 -0.02 0.50 2.07 -0.06 -1.32 116.25 119.45 3hww h VAL 237 Ca 0.19 -0.84 0.02 0.00 0.82 0.00 0.00 66.70 66.89 3hww h VAL 237 Cb 0.18 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 3hww h VAL 237 CO -0.02 0.34 -0.07 0.00 0.02 0.00 0.00 177.57 177.84 3hww h ALA 238 N 1.19 -0.06 -0.27 1.67 0.00 -0.51 -0.82 119.26 120.46 3hww h ALA 238 Ca 0.25 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.22 3hww h ALA 238 Cb 0.24 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 3hww h ALA 238 CO -0.02 -0.56 0.03 -0.07 0.00 0.00 0.00 179.25 178.63 3hww h LEU 239 N -0.11 -0.04 -0.49 0.00 3.38 -1.04 -2.43 115.31 114.57 3hww h LEU 239 Ca 0.04 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3hww h LEU 239 Cb 0.16 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3hww h LEU 239 CO -0.09 0.01 0.27 -0.25 0.09 0.00 0.00 178.44 178.48 3hww h TRP 240 N 0.12 0.66 -0.62 1.13 7.01 -1.12 -0.13 115.95 123.00 3hww h TRP 240 Ca 0.13 -0.01 -0.09 0.00 2.11 0.00 0.00 58.89 61.03 3hww h TRP 240 Cb 0.15 -0.21 -0.02 0.00 -2.10 0.00 0.00 29.16 26.97 3hww h TRP 240 CO -0.18 0.49 0.05 0.00 -2.79 0.00 0.00 178.44 176.01 3hww h ALA 241 N 1.12 0.91 -0.28 2.65 0.00 -1.05 -0.73 119.26 121.88 3hww h ALA 241 Ca 0.17 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3hww h ALA 241 Cb 0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3hww h ALA 241 CO -0.03 0.66 0.13 0.37 0.00 0.00 0.00 179.25 180.38 3hww h GLN 242 N 0.98 0.40 -0.83 0.00 4.15 -1.00 -1.11 115.11 117.70 3hww h GLN 242 Ca 0.19 -0.06 0.05 0.00 0.77 0.00 0.00 58.65 59.60 3hww h GLN 242 Cb 0.49 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 28.06 3hww h GLN 242 CO 0.02 0.40 0.54 1.15 -1.93 0.00 0.00 178.83 179.01 3hww h THR 243 N 0.31 1.07 0.00 2.39 2.02 -0.88 -1.21 112.91 116.62 3hww h THR 243 Ca 0.09 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 3hww h THR 243 Cb 0.14 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 66.59 3hww h THR 243 CO -0.01 0.17 -0.11 -0.07 0.37 0.00 0.00 175.52 175.87 3hww h LEU 244 N 0.94 0.00 0.56 2.58 3.38 -0.33 -2.40 115.31 120.04 3hww h LEU 244 Ca 0.35 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.20 3hww h LEU 244 Cb 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 3hww h LEU 244 CO -0.12 0.11 -0.13 0.61 0.09 0.00 0.00 178.44 179.01 3hww n GLY 245 N 0.32 0.44 3.70 0.83 0.00 -0.46 -4.27 105.19 105.75 3hww n GLY 245 Ca 0.01 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.25 3.24 0.22 1.61 0.52 -0.70 -2.84 118.94 118.74 3hww s TRP 246 Ca 0.00 0.22 -0.32 0.00 0.02 0.00 0.00 56.10 56.02 3hww s TRP 246 Cb 0.00 -1.85 -0.14 0.00 -1.15 0.00 0.00 33.47 30.33 3hww s TRP 246 CO 0.00 0.46 1.40 -0.35 0.02 0.00 0.00 176.95 178.48 3hww n PRO 247 N 2.33 1.91 -3.85 4.98 -0.04 -1.26 -4.57 135.00 134.50 3hww n PRO 247 Ca -0.19 0.68 -0.36 0.00 -0.04 0.00 0.00 63.50 63.60 3hww n PRO 247 Cb 0.54 -2.34 -0.12 0.00 -0.04 0.00 0.00 33.50 31.54 3hww n PRO 247 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3hww s LEU 248 N 0.29 3.40 -0.43 1.53 2.96 -1.26 -1.91 118.68 123.26 3hww s LEU 248 Ca 0.71 -0.19 -0.15 0.00 -0.22 0.00 0.00 54.13 54.28 3hww s LEU 248 Cb -0.69 -1.90 0.04 0.00 0.50 0.00 0.00 46.19 44.15 3hww s LEU 248 CO 0.48 0.00 0.33 -0.63 -1.32 0.00 0.00 176.35 175.21 3hww s ILE 249 N 1.38 5.18 -0.08 6.68 1.01 -0.19 -4.16 121.20 131.02 3hww s ILE 249 Ca 0.05 -0.83 -0.00 0.00 0.00 0.00 0.00 60.65 59.87 3hww s ILE 249 Cb -0.15 -3.97 -0.03 0.00 0.01 0.00 0.00 42.46 38.33 3hww s ILE 249 CO 0.03 -0.41 -0.06 -0.83 0.00 0.00 0.00 174.94 173.67 3hww s GLY 250 N 2.01 1.71 0.58 6.18 0.00 -1.26 -0.58 107.32 115.96 3hww s GLY 250 Ca 0.04 -0.87 -0.00 0.00 0.00 0.00 0.00 44.72 43.89 3hww s GLY 250 CO 0.08 -0.57 0.82 -0.35 0.00 0.00 0.00 173.10 173.09 3hww s ASP 251 N -0.63 5.18 0.52 1.64 2.15 -0.62 -4.85 116.67 120.05 3hww s ASP 251 Ca 0.10 0.07 0.28 0.00 0.43 0.00 0.00 52.55 53.43 3hww s ASP 251 Cb -0.12 -0.91 1.40 0.00 -0.30 0.00 0.00 42.92 43.00 3hww s ASP 251 CO 0.02 -1.24 2.04 -0.37 -0.17 0.00 0.00 175.17 175.45 3hww h VAL 252 N -0.06 0.50 -0.00 1.11 -1.51 -1.90 -2.06 116.25 112.33 3hww h VAL 252 Ca -0.42 -0.61 0.00 0.00 -1.23 0.00 0.00 66.70 64.43 3hww h VAL 252 Cb 1.30 1.41 0.00 0.00 -2.13 0.00 0.00 31.29 31.87 3hww h VAL 252 CO 0.54 0.12 -0.18 0.18 -1.23 0.00 0.00 177.57 177.00 3hww n LEU 253 N -3.54 0.54 0.09 4.19 4.77 -1.26 -4.23 117.00 117.57 3hww n LEU 253 Ca -0.01 -0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.00 3hww n LEU 253 Cb 0.27 -0.21 -0.02 0.00 -2.33 0.00 0.00 43.42 41.13 3hww n LEU 253 CO 0.30 0.11 0.08 0.77 -1.33 0.00 0.00 177.39 177.31 3hww h SER 254 N 0.56 0.00 -3.40 -1.43 4.64 -1.35 -3.29 113.55 109.28 3hww h SER 254 Ca 0.00 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.95 3hww h SER 254 Cb 0.42 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 3hww h SER 254 CO 0.00 0.42 -0.49 0.00 -0.87 0.00 0.00 176.83 175.89 3hww n GLN 255 N -2.98 -2.16 0.00 4.77 6.02 -1.26 -3.89 117.38 117.89 3hww n GLN 255 Ca -0.03 0.89 0.14 0.00 -0.01 0.00 0.00 57.00 57.99 3hww n GLN 255 Cb 0.74 -5.56 0.57 0.00 1.02 0.00 0.00 30.24 27.00 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 -3.91 0.00 -0.36 5.09 -2.24 -1.26 -1.07 114.28 110.52 3hww n THR 256 Ca -0.21 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.51 3hww n THR 256 Cb 0.66 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.85 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 1.30 2.16 3.53 3.38 0.00 -1.24 -4.50 105.19 109.82 3hww n GLY 257 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.55 0.19 1.61 6.02 -1.26 -4.56 117.38 115.83 3hww n GLN 258 Ca 0.00 0.62 0.18 0.00 -0.01 0.00 0.00 57.00 57.79 3hww n GLN 258 Cb 0.00 -4.70 0.79 0.00 1.02 0.00 0.00 30.24 27.35 3hww n GLN 258 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 3hww h PRO 259 N -1.55 0.00 -2.26 -1.09 0.10 -1.84 -2.69 132.00 122.67 3hww h PRO 259 Ca -0.63 0.00 -0.61 0.00 0.10 0.00 0.00 66.00 64.86 3hww h PRO 259 Cb 1.34 0.00 -0.41 0.00 0.10 0.00 0.00 31.00 32.03 3hww h PRO 259 CO 0.46 0.00 -0.49 1.28 0.10 0.00 0.00 178.00 179.35 3hww n LEU 260 N -3.49 4.16 -4.63 2.35 4.77 -1.26 -5.00 117.00 113.90 3hww n LEU 260 Ca 0.03 -5.49 -0.29 0.00 -0.03 0.00 0.00 56.01 50.23 3hww n LEU 260 Cb 0.49 -0.69 0.18 0.00 -2.33 0.00 0.00 43.42 41.07 3hww n LEU 260 CO 0.23 2.11 0.62 -2.16 -1.33 0.00 0.00 177.39 176.86 3hww s PRO 261 N -2.76 0.42 -1.65 3.23 0.04 -1.02 -3.82 135.00 129.44 3hww s PRO 261 Ca 0.41 0.94 -0.03 0.00 0.04 0.00 0.00 61.00 62.36 3hww s PRO 261 Cb 0.17 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 33.02 3hww s PRO 261 CO -0.03 -2.85 0.35 0.00 0.04 0.00 0.00 177.00 174.51 3hww h ALA 263 N 1.00 1.61 -0.00 0.00 0.00 -1.81 0.11 119.26 120.17 3hww h ALA 263 Ca -0.51 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.61 3hww h ALA 263 Cb 1.36 0.26 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 3hww h ALA 263 CO 0.57 -0.54 0.03 0.22 0.00 0.00 0.00 179.25 179.53 3hww h ASP 264 N 0.24 0.00 0.00 0.00 3.58 -1.86 -0.41 116.42 117.97 3hww h ASP 264 Ca 0.65 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.10 3hww h ASP 264 Cb 1.42 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.47 3hww h ASP 264 CO -0.65 0.00 -0.67 0.18 -2.88 0.00 0.00 179.24 175.22 3hww n LEU 265 N -3.20 1.75 0.22 2.28 4.77 0.20 -4.56 117.00 118.46 3hww n LEU 265 Ca -0.03 0.49 0.15 0.00 -0.03 0.00 0.00 56.01 56.59 3hww n LEU 265 Cb 0.10 -0.80 0.68 0.00 -2.33 0.00 0.00 43.42 41.07 3hww n LEU 265 CO 0.21 -0.40 0.95 4.11 -1.33 0.00 0.00 177.39 180.94 3hww h TRP 266 N -0.94 0.00 0.00 -1.77 5.08 -0.88 0.11 115.95 117.55 3hww h TRP 266 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3hww h TRP 266 Cb 0.67 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.83 3hww h TRP 266 CO -0.29 0.00 0.00 1.28 -1.28 0.00 0.00 178.44 178.15 3hww n LEU 267 N -2.70 0.00 0.13 0.11 4.77 -0.18 -2.14 117.00 117.00 3hww n LEU 267 Ca 0.00 0.50 0.01 0.00 -0.03 0.00 0.00 56.01 56.49 3hww n LEU 267 Cb 0.22 -0.50 0.06 0.00 -2.33 0.00 0.00 43.42 40.87 3hww n LEU 267 CO 0.22 -0.28 0.44 1.23 -1.33 0.00 0.00 177.39 177.67 3hww h GLY 268 N 2.21 0.00 -4.70 -0.72 0.00 -1.21 -3.43 103.07 95.22 3hww h GLY 268 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 3hww h GLY 268 CO 0.00 0.00 0.85 0.21 0.00 0.00 0.00 176.54 177.60 3hww s ASN 269 N -6.53 6.70 0.53 0.19 3.84 -0.91 -4.71 114.94 114.05 3hww s ASN 269 Ca 0.02 2.43 0.28 0.00 0.21 0.00 0.00 52.86 55.81 3hww s ASN 269 Cb 0.09 -2.58 1.52 0.00 -0.55 0.00 0.00 41.25 39.73 3hww s ASN 269 CO 0.75 -0.77 2.10 0.00 -2.79 0.00 0.00 177.10 176.39 3hww h ALA 270 N 7.29 1.29 -0.23 1.71 0.00 -1.89 -0.06 119.26 127.37 3hww h ALA 270 Ca -0.42 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.33 3hww h ALA 270 Cb 1.20 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3hww h ALA 270 CO 0.90 0.12 -0.15 0.87 0.00 0.00 0.00 179.25 181.00 3hww h LYS 271 N 0.00 0.51 -0.14 0.00 1.57 -1.94 -1.72 116.57 114.85 3hww h LYS 271 Ca -0.00 -0.24 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 3hww h LYS 271 Cb 0.29 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 3hww h LYS 271 CO 0.01 0.80 0.02 0.00 -0.57 0.00 0.00 179.45 179.71 3hww h ALA 272 N 0.70 0.19 -0.45 3.86 0.00 -1.65 -2.28 119.26 119.62 3hww h ALA 272 Ca 0.05 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 54.89 3hww h ALA 272 Cb 0.66 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3hww h ALA 272 CO 0.04 -0.15 0.31 1.79 0.00 0.00 0.00 179.25 181.25 3hww h THR 273 N 0.00 0.86 0.14 0.00 1.35 -1.02 -2.33 112.91 111.90 3hww h THR 273 Ca 0.04 -0.06 -0.29 0.00 -0.55 0.00 0.00 66.41 65.55 3hww h THR 273 Cb 0.31 0.67 0.02 0.00 -1.73 0.00 0.00 68.15 67.42 3hww h THR 273 CO 0.00 0.03 -1.26 0.28 -0.25 0.00 0.00 175.52 174.33 3hww h SER 274 N 0.18 0.70 -0.60 5.36 0.02 -1.11 -2.12 113.55 115.98 3hww h SER 274 Ca 0.21 -0.69 -0.01 0.00 -0.84 0.00 0.00 61.79 60.46 3hww h SER 274 Cb 0.60 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 3hww h SER 274 CO -0.03 1.51 0.33 -0.08 -1.14 0.00 0.00 176.83 177.42 3hww h GLU 275 N 0.19 0.84 -0.05 3.45 4.81 -1.13 -3.07 114.58 119.63 3hww h GLU 275 Ca -0.17 -0.10 -0.07 0.00 -0.13 0.00 0.00 59.36 58.89 3hww h GLU 275 Cb 1.94 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 31.15 3hww h GLU 275 CO 0.23 0.64 -0.31 -0.07 -0.73 0.00 0.00 179.01 178.77 3hww h LEU 276 N 0.82 0.08 -2.10 1.64 3.38 -1.36 -0.73 115.31 117.05 3hww h LEU 276 Ca 0.21 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3hww h LEU 276 Cb 0.04 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3hww h LEU 276 CO -0.03 0.39 0.00 1.56 0.09 0.00 0.00 178.44 180.45 3hww h GLN 277 N 0.08 0.00 -0.00 1.13 7.50 -1.28 0.72 115.11 123.26 3hww h GLN 277 Ca 0.01 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.16 3hww h GLN 277 Cb 0.59 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.12 3hww h GLN 277 CO 0.04 0.00 -0.02 1.04 -1.50 0.00 0.00 178.83 178.39 3hww n GLN 278 N -2.78 0.77 -2.11 1.46 6.02 -0.28 -4.85 117.38 115.62 3hww n GLN 278 Ca -0.01 -0.10 -0.42 0.00 -0.01 0.00 0.00 57.00 56.45 3hww n GLN 278 Cb 0.11 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 29.85 3hww n GLN 278 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hww s ALA 279 N -2.30 3.63 -0.08 -1.58 0.00 0.24 -4.79 121.76 116.88 3hww s ALA 279 Ca 0.37 1.05 0.14 0.00 0.00 0.00 0.00 51.96 53.52 3hww s ALA 279 Cb 0.21 -3.62 -0.19 0.00 0.00 0.00 0.00 23.12 19.52 3hww s ALA 279 CO 0.42 -0.92 0.74 1.04 0.00 0.00 0.00 175.76 177.04 3hww n GLN 280 N 5.13 0.63 -3.82 0.00 6.02 0.22 -4.43 117.38 121.12 3hww n GLN 280 Ca 0.14 0.27 -0.12 0.00 -0.01 0.00 0.00 57.00 57.27 3hww n GLN 280 Cb 0.42 -1.80 -0.13 0.00 1.02 0.00 0.00 30.24 29.75 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 -2.75 -0.01 -0.16 5.09 2.07 -1.13 0.14 121.20 124.46 3hww s ILE 281 Ca -0.04 0.02 -0.01 0.00 -1.41 0.00 0.00 60.65 59.21 3hww s ILE 281 Cb 0.08 -0.17 -0.01 0.00 0.13 0.00 0.00 42.46 42.49 3hww s ILE 281 CO 0.82 0.01 -0.11 -0.69 -1.91 0.00 0.00 174.94 173.06 3hww s VAL 282 N 0.17 3.09 -0.36 4.00 1.01 -0.51 -1.95 120.40 125.86 3hww s VAL 282 Ca -0.01 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.30 3hww s VAL 282 Cb -0.02 -2.33 0.06 0.00 0.00 0.00 0.00 36.38 34.09 3hww s VAL 282 CO -0.00 0.50 0.12 -0.69 0.00 0.00 0.00 175.10 175.03 3hww s VAL 283 N 0.72 3.52 -0.28 2.92 1.01 0.22 -0.18 120.40 128.33 3hww s VAL 283 Ca -0.05 -1.46 -0.12 0.00 0.00 0.00 0.00 61.98 60.35 3hww s VAL 283 Cb -0.15 -3.13 -0.05 0.00 0.00 0.00 0.00 36.38 33.06 3hww s VAL 283 CO 0.02 -0.33 0.23 -1.58 0.00 0.00 0.00 175.10 173.44 3hww s GLN 284 N 1.30 3.97 -0.21 2.72 0.74 0.21 -1.77 119.66 126.62 3hww s GLN 284 Ca 0.00 -0.24 -0.05 0.00 0.05 0.00 0.00 55.36 55.13 3hww s GLN 284 Cb -0.21 -3.66 -0.02 0.00 1.10 0.00 0.00 33.01 30.22 3hww s GLN 284 CO 0.00 -0.20 -0.01 -0.51 -0.55 0.00 0.00 175.29 174.02 3hww s LEU 285 N 1.82 3.14 0.00 3.68 2.01 0.67 -0.24 118.68 129.76 3hww s LEU 285 Ca 0.09 -0.27 0.00 0.00 0.01 0.00 0.00 54.13 53.96 3hww s LEU 285 Cb -0.16 -1.80 0.00 0.00 0.01 0.00 0.00 46.19 44.24 3hww s LEU 285 CO 0.11 0.03 0.00 0.61 1.01 0.00 0.00 176.35 178.11 3hww n GLY 286 N 4.48 -0.97 0.00 -3.19 0.00 -0.02 -0.20 105.19 105.29 3hww n GLY 286 Ca -0.17 -1.66 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 -1.30 0.00 -3.58 1.61 3.41 -1.25 -4.41 113.62 108.10 3hww n SER 287 Ca 0.00 -0.26 -0.27 0.00 -0.26 0.00 0.00 58.87 58.08 3hww n SER 287 Cb 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.00 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 -0.41 -5.34 -4.77 4.04 7.64 -1.26 -1.96 113.62 111.56 3hww n SER 288 Ca 0.00 -0.93 -0.39 0.00 1.01 0.00 0.00 58.87 58.55 3hww n SER 288 Cb 0.00 -3.86 0.00 0.00 -1.01 0.00 0.00 64.21 59.34 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 -6.23 4.15 -0.21 -3.43 1.02 -1.26 -4.67 118.68 108.06 3hww s LEU 289 Ca 0.44 2.73 -0.10 0.00 0.02 0.00 0.00 54.13 57.21 3hww s LEU 289 Cb -0.13 -3.95 -0.20 0.00 0.02 0.00 0.00 46.19 41.93 3hww s LEU 289 CO 0.83 -1.00 0.05 0.41 0.02 0.00 0.00 176.35 176.66 3hww n THR 290 N -0.07 1.60 -2.73 5.49 -1.04 -1.26 -4.97 114.28 111.31 3hww n THR 290 Ca 0.05 -0.42 -0.41 0.00 -2.04 0.00 0.00 64.05 61.23 3hww n THR 290 Cb 0.43 -1.78 -0.05 0.00 -1.82 0.00 0.00 70.33 67.12 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 -5.57 3.03 0.18 3.41 0.00 -1.26 -4.94 107.32 102.16 3hww s GLY 291 Ca -0.30 0.60 -0.18 0.00 0.00 0.00 0.00 44.72 44.84 3hww s GLY 291 CO 0.63 1.40 1.63 1.70 0.00 0.00 0.00 173.10 178.46 3hww h LYS 292 N 5.18 -0.08 -0.65 2.90 3.64 -1.96 0.30 116.57 125.90 3hww h LYS 292 Ca -0.43 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 58.89 3hww h LYS 292 Cb 1.21 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 33.02 3hww h LYS 292 CO 0.71 -0.06 0.15 0.00 -2.27 0.00 0.00 179.45 177.98 3hww h ARG 293 N -0.09 1.05 -0.51 1.90 2.47 -1.92 0.33 114.38 117.61 3hww h ARG 293 Ca 0.22 -0.26 -0.05 0.00 -1.26 0.00 0.00 59.98 58.64 3hww h ARG 293 Cb 0.43 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.59 3hww h ARG 293 CO -0.52 0.94 0.13 1.25 0.56 0.00 0.00 179.97 182.34 3hww h LEU 294 N 0.97 0.76 -1.05 3.04 5.85 -1.79 0.12 115.31 123.21 3hww h LEU 294 Ca 0.20 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 3hww h LEU 294 Cb 0.37 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 3hww h LEU 294 CO 0.00 0.79 0.30 -0.07 -0.34 0.00 0.00 178.44 179.12 3hww h LEU 295 N 0.70 0.88 -0.25 2.25 3.38 0.00 0.12 115.31 122.39 3hww h LEU 295 Ca 0.16 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 3hww h LEU 295 Cb 0.32 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3hww h LEU 295 CO -0.00 0.77 -0.03 1.56 0.09 0.00 0.00 178.44 180.83 3hww h GLN 296 N 0.96 0.45 -0.14 1.13 4.20 -0.70 -2.25 115.11 118.76 3hww h GLN 296 Ca 0.23 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.78 3hww h GLN 296 Cb 0.14 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3hww h GLN 296 CO -0.03 0.65 0.08 2.35 -0.67 0.00 0.00 178.83 181.22 3hww h TRP 297 N 0.21 0.20 -0.41 2.96 7.01 -0.77 -2.71 115.95 122.44 3hww h TRP 297 Ca 0.07 -0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.14 3hww h TRP 297 Cb 0.47 -0.06 -0.07 0.00 -2.10 0.00 0.00 29.16 27.40 3hww h TRP 297 CO 0.04 0.20 -0.00 0.37 -2.79 0.00 0.00 178.44 176.27 3hww h GLN 298 N 0.13 0.10 0.00 2.65 -0.00 -0.80 0.77 115.11 117.96 3hww h GLN 298 Ca 0.05 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 58.69 3hww h GLN 298 Cb 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 27.53 3hww h GLN 298 CO -0.01 0.07 0.00 0.00 0.00 0.00 0.00 178.83 178.89 3hww h ALA 299 N 1.37 1.00 0.00 3.38 0.00 -1.15 -3.16 119.26 120.70 3hww h ALA 299 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3hww h ALA 299 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3hww h ALA 299 CO -0.34 0.00 -0.79 -1.13 0.00 0.00 0.00 179.25 176.99 3hww n SER 300 N -2.87 3.22 -4.74 0.00 3.41 -0.33 -4.94 113.62 107.37 3hww n SER 300 Ca -0.03 -0.16 -0.35 0.00 -0.26 0.00 0.00 58.87 58.07 3hww n SER 300 Cb 0.06 1.06 0.06 0.00 -0.26 0.00 0.00 64.21 65.14 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 -2.10 1.74 -1.06 0.00 -0.58 -1.26 -5.03 120.64 112.35 3hww n GLU 302 Ca 0.13 -3.92 -0.31 0.00 -0.42 0.00 0.00 57.16 52.64 3hww n GLU 302 Cb 0.50 -1.83 0.12 0.00 -0.57 0.00 0.00 31.44 29.66 3hww n GLU 302 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3hww s PRO 303 N -2.49 1.78 0.20 3.49 0.04 -1.26 -4.92 135.00 131.84 3hww s PRO 303 Ca 0.42 1.34 -0.11 0.00 0.04 0.00 0.00 61.00 62.69 3hww s PRO 303 Cb 0.27 -1.83 0.24 0.00 0.04 0.00 0.00 34.50 33.22 3hww s PRO 303 CO -0.09 -2.03 1.74 0.93 0.04 0.00 0.00 177.00 177.59 3hww h GLU 304 N -1.36 0.34 -5.15 4.56 5.08 -0.54 -3.43 114.58 114.09 3hww h GLU 304 Ca -0.44 -0.02 -0.39 0.00 -1.00 0.00 0.00 59.36 57.51 3hww h GLU 304 Cb 1.25 -0.08 -0.22 0.00 0.50 0.00 0.00 28.75 30.20 3hww h GLU 304 CO 0.47 0.23 -0.77 -1.21 -1.00 0.00 0.00 179.01 176.73 3hww s GLU 305 N -6.11 0.77 -0.14 2.33 2.02 -1.09 -4.81 118.70 111.67 3hww s GLU 305 Ca -0.13 -0.84 0.01 0.00 0.02 0.00 0.00 54.97 54.03 3hww s GLU 305 Cb 0.16 -0.73 0.02 0.00 0.10 0.00 0.00 34.13 33.68 3hww s GLU 305 CO 0.74 0.17 -0.16 -0.47 0.02 0.00 0.00 175.26 175.55 3hww s TYR 306 N -1.15 2.28 -0.08 1.61 6.14 -1.05 -1.42 117.35 123.68 3hww s TYR 306 Ca -0.03 -1.24 0.04 0.00 0.64 0.00 0.00 57.07 56.48 3hww s TYR 306 Cb -0.09 -1.64 -0.01 0.00 0.42 0.00 0.00 41.96 40.64 3hww s TYR 306 CO 0.02 -0.64 -0.21 -1.58 0.64 0.00 0.00 175.55 173.78 3hww s TRP 307 N 1.27 2.59 -0.27 4.97 0.52 0.75 -0.75 118.94 128.01 3hww s TRP 307 Ca 0.01 -0.70 -0.02 0.00 0.02 0.00 0.00 56.10 55.41 3hww s TRP 307 Cb -0.14 -1.69 0.04 0.00 -1.15 0.00 0.00 33.47 30.53 3hww s TRP 307 CO -0.08 -0.21 -0.03 0.42 0.02 0.00 0.00 176.95 177.07 3hww s ILE 308 N -0.00 2.95 -0.23 2.03 1.01 -0.28 0.66 121.20 127.34 3hww s ILE 308 Ca -0.07 -1.17 -0.10 0.00 0.00 0.00 0.00 60.65 59.31 3hww s ILE 308 Cb -0.15 -2.58 -0.05 0.00 0.01 0.00 0.00 42.46 39.69 3hww s ILE 308 CO 0.05 0.07 0.15 -0.69 0.00 0.00 0.00 174.94 174.52 3hww s VAL 309 N 1.30 5.35 -0.11 2.92 1.01 0.66 -0.07 120.40 131.46 3hww s VAL 309 Ca -0.02 0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.83 3hww s VAL 309 Cb -0.18 -3.49 0.10 0.00 0.00 0.00 0.00 36.38 32.82 3hww s VAL 309 CO -0.03 0.36 0.87 -0.62 0.00 0.00 0.00 175.10 175.69 3hww s ASP 310 N 0.94 -0.47 0.00 3.32 -1.08 -0.71 -0.84 116.67 117.83 3hww s ASP 310 Ca 0.07 0.49 0.21 0.00 -0.52 0.00 0.00 52.55 52.80 3hww s ASP 310 Cb -0.13 0.39 1.18 0.00 -1.46 0.00 0.00 42.92 42.90 3hww s ASP 310 CO 0.03 -0.46 1.76 -0.67 0.52 0.00 0.00 175.17 176.36 3hww n ASP 311 N 0.73 0.15 -4.89 -0.34 4.64 0.24 -1.37 116.55 115.70 3hww n ASP 311 Ca -0.13 -1.39 -0.25 0.00 -1.38 0.00 0.00 54.79 51.63 3hww n ASP 311 Cb 0.58 -0.01 -0.04 0.00 -1.04 0.00 0.00 41.12 40.61 3hww n ASP 311 CO 0.00 0.00 0.00 0.27 -0.82 0.00 0.00 177.20 176.65 3hww s ILE 312 N -1.98 4.98 0.48 5.18 -4.36 -1.26 -4.72 121.20 119.51 3hww s ILE 312 Ca 0.31 -0.92 0.01 0.00 -0.26 0.00 0.00 60.65 59.79 3hww s ILE 312 Cb 0.14 -3.59 0.01 0.00 1.25 0.00 0.00 42.46 40.27 3hww s ILE 312 CO 0.24 -0.15 0.70 -1.61 0.24 0.00 0.00 174.94 174.36 3hww s GLU 313 N -3.35 2.90 0.00 0.37 2.02 -1.26 -4.82 118.70 114.55 3hww s GLU 313 Ca 0.33 -0.58 0.00 0.00 0.02 0.00 0.00 54.97 54.74 3hww s GLU 313 Cb -0.10 -2.54 0.00 0.00 0.10 0.00 0.00 34.13 31.59 3hww s GLU 313 CO 0.27 -0.41 0.00 0.41 0.02 0.00 0.00 175.26 175.54 3hww n GLY 314 N -2.16 -0.54 3.74 -1.39 0.00 -1.26 -4.95 105.19 98.63 3hww n GLY 314 Ca 0.04 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 43.89 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 -1.40 4.63 0.00 1.61 0.52 -1.26 -4.93 118.95 118.12 3hww s ARG 315 Ca 0.00 1.72 0.00 0.00 -0.52 0.00 0.00 55.73 56.93 3hww s ARG 315 Cb 0.00 -3.25 0.00 0.00 0.52 0.00 0.00 34.95 32.22 3hww s ARG 315 CO 0.00 0.15 0.60 1.28 0.02 0.00 0.00 175.30 177.35 3hww n LEU 316 N 1.96 0.91 -4.12 2.53 4.77 -1.26 -4.95 117.00 116.83 3hww n LEU 316 Ca 0.01 -0.91 -0.36 0.00 -0.03 0.00 0.00 56.01 54.72 3hww n LEU 316 Cb 0.46 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.44 3hww n LEU 316 CO 0.54 0.23 -0.14 -0.62 -1.33 0.00 0.00 177.39 176.07 3hww s ASP 317 N -0.35 5.27 0.22 -1.43 -1.08 -1.26 -4.92 116.67 113.12 3hww s ASP 317 Ca 0.00 -2.14 0.21 0.00 -0.52 0.00 0.00 52.55 50.10 3hww s ASP 317 Cb 0.00 -1.84 0.92 0.00 -1.46 0.00 0.00 42.92 40.54 3hww s ASP 317 CO 0.00 -0.53 1.64 -0.81 0.52 0.00 0.00 175.17 175.99 3hww n PRO 318 N 4.46 0.15 -0.13 4.34 -0.04 -1.26 -1.52 135.00 141.00 3hww n PRO 318 Ca -0.01 0.44 0.11 0.00 -0.04 0.00 0.00 63.50 64.00 3hww n PRO 318 Cb 0.41 -1.82 0.27 0.00 -0.04 0.00 0.00 33.50 32.32 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 -1.73 2.47 -3.92 0.55 0.00 -1.26 -4.99 120.51 111.63 3hww n ALA 319 Ca 0.02 -0.77 -0.30 0.00 0.00 0.00 0.00 53.44 52.39 3hww n ALA 319 Cb 0.18 -0.96 0.02 0.00 0.00 0.00 0.00 19.45 18.69 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 0.99 -2.25 -1.68 0.00 -0.00 -0.58 -4.96 115.22 106.75 3hww n HIS 320 Ca 0.18 0.90 -0.38 0.00 -0.00 0.00 0.00 57.72 58.41 3hww n HIS 320 Cb 0.49 -3.95 0.05 0.00 -0.00 0.00 0.00 29.99 26.58 3hww n HIS 320 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 3hww n HIS 321 N -4.64 1.60 -2.02 4.41 8.25 -1.26 -4.97 115.22 116.59 3hww n HIS 321 Ca 0.02 0.44 -0.42 0.00 -0.26 0.00 0.00 57.72 57.50 3hww n HIS 321 Cb 0.54 -2.25 -0.03 0.00 1.12 0.00 0.00 29.99 29.37 3hww n HIS 321 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 3hww s ARG 322 N -2.88 4.26 0.00 -0.41 3.52 -1.26 -4.79 118.95 117.39 3hww s ARG 322 Ca 0.75 2.27 0.00 0.00 -0.13 0.00 0.00 55.73 58.62 3hww s ARG 322 Cb -0.42 -3.16 0.00 0.00 -1.56 0.00 0.00 34.95 29.81 3hww s ARG 322 CO 0.47 -0.50 0.00 0.41 -0.81 0.00 0.00 175.30 174.87 3hww n GLY 323 N 3.19 -0.56 3.02 8.12 0.00 -1.26 -2.52 105.19 115.19 3hww n GLY 323 Ca 0.11 -0.33 -0.16 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.52 0.55 -0.31 1.61 0.52 0.08 -4.91 118.95 114.96 3hww s ARG 324 Ca 0.00 -0.44 0.01 0.00 -0.52 0.00 0.00 55.73 54.78 3hww s ARG 324 Cb 0.00 -0.47 0.08 0.00 0.52 0.00 0.00 34.95 35.08 3hww s ARG 324 CO 0.00 0.12 0.01 0.50 0.02 0.00 0.00 175.30 175.94 3hww s ARG 325 N -0.70 2.04 -0.27 3.54 6.06 -1.26 -1.12 118.95 127.23 3hww s ARG 325 Ca -0.02 -1.55 -0.06 0.00 -2.50 0.00 0.00 55.73 51.61 3hww s ARG 325 Cb -0.05 -3.15 0.00 0.00 0.06 0.00 0.00 34.95 31.81 3hww s ARG 325 CO 0.00 -0.76 0.04 -0.51 -2.50 0.00 0.00 175.30 171.57 3hww s LEU 326 N 1.09 3.55 -0.34 -0.88 1.43 0.90 -5.00 118.68 119.43 3hww s LEU 326 Ca 0.00 -0.61 -0.25 0.00 -1.03 0.00 0.00 54.13 52.24 3hww s LEU 326 Cb -0.20 -1.83 0.01 0.00 0.03 0.00 0.00 46.19 44.19 3hww s LEU 326 CO -0.05 -0.13 0.86 -0.63 0.23 0.00 0.00 176.35 176.63 3hww s ILE 327 N 1.49 4.68 -0.14 -0.59 1.09 -1.26 -1.73 121.20 124.74 3hww s ILE 327 Ca 0.03 1.20 -0.30 0.00 -1.10 0.00 0.00 60.65 60.48 3hww s ILE 327 Cb -0.16 -4.25 0.13 0.00 -1.06 0.00 0.00 42.46 37.12 3hww s ILE 327 CO 0.01 -0.40 1.03 0.00 -0.10 0.00 0.00 174.94 175.48 3hww s ALA 328 N 3.22 -1.94 -0.00 9.38 0.00 -0.47 -1.05 121.76 130.90 3hww s ALA 328 Ca 0.35 1.50 -0.30 0.00 0.00 0.00 0.00 51.96 53.51 3hww s ALA 328 Cb -0.13 -0.48 -0.07 0.00 0.00 0.00 0.00 23.12 22.44 3hww s ALA 328 CO 0.15 -0.41 1.68 1.21 0.00 0.00 0.00 175.76 178.39 3hww s ASN 329 N -1.50 6.63 0.21 0.00 3.84 -1.26 -0.59 114.94 122.26 3hww s ASN 329 Ca 0.02 2.35 -0.09 0.00 0.21 0.00 0.00 52.86 55.35 3hww s ASN 329 Cb -0.01 -2.54 0.29 0.00 -0.55 0.00 0.00 41.25 38.44 3hww s ASN 329 CO -0.02 -0.92 1.73 0.40 -2.79 0.00 0.00 177.10 175.50 3hww h ILE 330 N 5.33 0.73 -0.16 -5.21 2.04 -1.93 0.22 117.51 118.54 3hww h ILE 330 Ca -0.41 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.32 3hww h ILE 330 Cb 1.19 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 37.60 3hww h ILE 330 CO 0.94 0.07 0.09 0.00 0.00 0.00 0.00 178.15 179.25 3hww h ALA 331 N 1.44 0.20 -0.64 1.87 0.00 -1.94 -1.29 119.26 118.90 3hww h ALA 331 Ca 0.31 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.25 3hww h ALA 331 Cb 0.41 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.08 3hww h ALA 331 CO -0.33 -0.29 0.32 -0.44 0.00 0.00 0.00 179.25 178.51 3hww h ASP 332 N 0.18 0.45 -0.17 0.00 3.32 -1.84 -2.46 116.42 115.89 3hww h ASP 332 Ca 0.06 0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.19 3hww h ASP 332 Cb 0.03 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 3hww h ASP 332 CO -0.01 0.28 -0.07 -0.25 -1.72 0.00 0.00 179.24 177.47 3hww h TRP 333 N 0.59 -0.16 -0.16 4.55 7.01 -0.69 0.81 115.95 127.90 3hww h TRP 333 Ca 0.30 0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.35 3hww h TRP 333 Cb 0.25 0.10 -0.01 0.00 -2.10 0.00 0.00 29.16 27.40 3hww h TRP 333 CO -0.10 -0.11 0.11 -0.07 -2.79 0.00 0.00 178.44 175.48 3hww h LEU 334 N -0.05 0.03 -0.35 0.65 3.38 -0.98 0.15 115.31 118.15 3hww h LEU 334 Ca 0.09 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 3hww h LEU 334 Cb 0.18 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3hww h LEU 334 CO -0.20 0.02 -0.04 -0.33 0.09 0.00 0.00 178.44 177.98 3hww h GLU 335 N 0.04 0.64 0.00 1.13 5.08 -0.48 -2.80 114.58 118.18 3hww h GLU 335 Ca 0.07 -0.22 -0.06 0.00 -1.00 0.00 0.00 59.36 58.15 3hww h GLU 335 Cb 0.25 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3hww h GLU 335 CO -0.00 0.78 -0.27 1.25 -1.00 0.00 0.00 179.01 179.77 3hww h LEU 336 N 0.44 0.00 -5.96 1.33 5.85 0.08 -3.35 115.31 113.69 3hww h LEU 336 Ca 0.09 0.00 -0.57 0.00 0.84 0.00 0.00 57.88 58.24 3hww h LEU 336 Cb 0.52 0.00 -0.41 0.00 0.37 0.00 0.00 40.66 41.14 3hww h LEU 336 CO 0.03 0.27 -0.83 1.41 -0.34 0.00 0.00 178.44 178.97 3hww n HIS 337 N -3.43 2.10 -1.75 1.25 8.25 0.42 -4.92 115.22 117.14 3hww n HIS 337 Ca 0.00 -3.91 -0.32 0.00 -0.26 0.00 0.00 57.72 53.23 3hww n HIS 337 Cb 0.46 -0.47 0.04 0.00 1.12 0.00 0.00 29.99 31.14 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 -2.24 2.99 0.18 -0.41 0.04 -1.11 -4.77 135.00 129.68 3hww s PRO 338 Ca 0.40 1.13 -0.12 0.00 0.04 0.00 0.00 61.00 62.45 3hww s PRO 338 Cb 0.20 -1.99 -0.07 0.00 0.04 0.00 0.00 34.50 32.68 3hww s PRO 338 CO -0.07 -1.06 0.54 0.00 0.04 0.00 0.00 177.00 176.44 3hww s ALA 339 N -2.71 3.58 -0.11 8.56 0.00 -1.26 -5.07 121.76 124.75 3hww s ALA 339 Ca 0.62 -0.21 -0.01 0.00 0.00 0.00 0.00 51.96 52.36 3hww s ALA 339 Cb -0.16 -2.47 -0.02 0.00 0.00 0.00 0.00 23.12 20.47 3hww s ALA 339 CO 0.46 0.49 -0.09 -1.21 0.00 0.00 0.00 175.76 175.41 3hww s GLU 340 N -2.33 3.19 -0.21 0.00 0.41 -1.26 -4.99 118.70 113.51 3hww s GLU 340 Ca 0.42 -0.60 -0.42 0.00 -0.41 0.00 0.00 54.97 53.96 3hww s GLU 340 Cb -0.13 -2.68 -0.18 0.00 -1.78 0.00 0.00 34.13 29.36 3hww s GLU 340 CO 0.20 0.40 1.46 1.17 -0.49 0.00 0.00 175.26 178.00 3hww n LYS 341 N 3.01 0.51 -3.81 1.61 3.00 -1.21 -4.37 118.16 116.89 3hww n LYS 341 Ca -0.18 0.18 -0.12 0.00 -0.00 0.00 0.00 58.31 58.19 3hww n LYS 341 Cb 0.53 -1.76 -0.12 0.00 0.00 0.00 0.00 35.03 33.68 3hww n LYS 341 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 3hww s ARG 342 N 1.94 0.27 0.40 1.64 0.52 -0.91 -5.01 118.95 117.80 3hww s ARG 342 Ca 0.96 0.17 -0.27 0.00 -0.52 0.00 0.00 55.73 56.06 3hww s ARG 342 Cb -1.23 0.13 -0.10 0.00 0.52 0.00 0.00 34.95 34.26 3hww s ARG 342 CO 0.65 -0.04 1.47 1.04 0.02 0.00 0.00 175.30 178.44 3hww n GLN 343 N 2.73 2.56 -1.68 3.54 1.13 -1.26 -3.36 117.38 121.04 3hww n GLN 343 Ca -0.14 0.90 -0.44 0.00 -1.94 0.00 0.00 57.00 55.38 3hww n GLN 343 Cb 0.58 -2.66 -0.02 0.00 0.11 0.00 0.00 30.24 28.25 3hww n GLN 343 CO 0.00 0.00 0.00 -2.30 -1.44 0.00 0.00 177.06 173.32 3hww n PRO 344 N 0.28 2.07 0.00 -1.09 -0.01 -1.26 -4.72 135.00 130.27 3hww n PRO 344 Ca 0.02 0.74 0.12 0.00 -0.01 0.00 0.00 63.50 64.37 3hww n PRO 344 Cb 0.39 -2.38 0.25 0.00 -0.01 0.00 0.00 33.50 31.75 3hww n PRO 344 CO 0.00 0.00 0.00 -2.67 -0.01 0.00 0.00 175.50 172.82 3hww n TRP 345 N 1.65 0.00 -3.89 6.00 4.27 -1.13 -4.87 117.44 119.47 3hww n TRP 345 Ca 0.10 0.00 -0.36 0.00 -3.89 0.00 0.00 57.50 53.36 3hww n TRP 345 Cb 0.32 -0.10 -0.08 0.00 -1.36 0.00 0.00 31.31 30.10 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 2.73 0.24 0.10 0.00 0.31 -1.26 -4.79 118.33 115.67 3hww n VAL 347 Ca -0.18 -0.07 -0.22 0.00 -0.01 0.00 0.00 64.34 63.86 3hww n VAL 347 Cb 0.53 -1.35 -0.13 0.00 -0.91 0.00 0.00 33.84 31.98 3hww n VAL 347 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3hww h GLU 348 N -0.12 0.58 -0.29 5.55 5.08 -1.95 -3.38 114.58 120.05 3hww h GLU 348 Ca -0.11 -0.82 0.07 0.00 -1.00 0.00 0.00 59.36 57.50 3hww h GLU 348 Cb 1.11 0.28 -0.07 0.00 0.50 0.00 0.00 28.75 30.57 3hww h GLU 348 CO -0.05 1.38 -0.19 0.82 -1.00 0.00 0.00 179.01 179.96 3hww h ILE 349 N 0.24 0.47 -0.35 3.13 2.04 -1.91 -2.01 117.51 119.11 3hww h ILE 349 Ca -0.20 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.75 3hww h ILE 349 Cb 1.97 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 38.50 3hww h ILE 349 CO 0.24 0.00 0.24 -0.65 0.00 0.00 0.00 178.15 177.99 3hww h PRO 350 N -0.17 0.09 0.29 2.37 0.11 -1.87 -1.44 132.00 131.38 3hww h PRO 350 Ca 0.15 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 3hww h PRO 350 Cb 0.40 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.49 3hww h PRO 350 CO -0.39 0.06 -0.14 -0.09 -0.21 0.00 0.00 178.00 177.23 3hww h ARG 351 N 0.09 -0.37 -0.88 1.05 2.43 -1.58 -3.18 114.38 111.94 3hww h ARG 351 Ca 0.16 0.03 0.20 0.00 -0.81 0.00 0.00 59.98 59.55 3hww h ARG 351 Cb 0.53 0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 30.10 3hww h ARG 351 CO -0.02 -0.03 0.59 -0.07 -1.51 0.00 0.00 179.97 178.93 3hww h LEU 352 N -0.80 0.41 0.50 3.80 3.38 -0.86 -1.58 115.31 120.18 3hww h LEU 352 Ca -0.04 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3hww h LEU 352 Cb 0.51 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3hww h LEU 352 CO 0.06 0.17 -0.24 0.00 0.09 0.00 0.00 178.44 178.52 3hww h ALA 353 N 1.61 -0.68 -0.61 1.53 0.00 -1.35 0.00 119.26 119.77 3hww h ALA 353 Ca 0.46 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 55.30 3hww h ALA 353 Cb 1.12 0.26 -0.12 0.00 0.00 0.00 0.00 17.79 19.06 3hww h ALA 353 CO -0.17 -0.78 -0.19 1.49 0.00 0.00 0.00 179.25 179.60 3hww h GLU 354 N -0.88 -0.03 -0.88 0.00 4.81 -1.44 -0.79 114.58 115.36 3hww h GLU 354 Ca -0.07 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.14 3hww h GLU 354 Cb 0.60 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.94 3hww h GLU 354 CO 0.11 -0.02 0.47 1.96 -0.73 0.00 0.00 179.01 180.81 3hww h GLN 355 N -0.03 1.24 -0.48 1.92 4.20 -1.25 -0.35 115.11 120.35 3hww h GLN 355 Ca 0.29 -0.15 -0.10 0.00 0.06 0.00 0.00 58.65 58.74 3hww h GLN 355 Cb 0.48 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 3hww h GLN 355 CO -0.65 0.91 -0.12 0.00 -0.67 0.00 0.00 178.83 178.31 3hww h ALA 356 N 1.26 0.89 -0.48 3.87 0.00 0.38 -0.93 119.26 124.25 3hww h ALA 356 Ca 0.31 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 3hww h ALA 356 Cb 0.04 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3hww h ALA 356 CO -0.05 0.63 -0.19 1.98 0.00 0.00 0.00 179.25 181.62 3hww h MET 357 N 0.79 0.96 -0.76 0.00 1.85 -0.76 -2.54 114.93 114.47 3hww h MET 357 Ca 0.13 -0.39 0.02 0.00 -0.61 0.00 0.00 59.70 58.85 3hww h MET 357 Cb 0.64 -0.04 -0.04 0.00 0.43 0.00 0.00 31.60 32.58 3hww h MET 357 CO 0.04 1.06 0.49 1.96 -0.40 0.00 0.00 176.91 180.06 3hww h GLN 358 N 0.84 0.94 -0.61 0.39 4.20 -0.82 -1.35 115.11 118.70 3hww h GLN 358 Ca 0.11 -0.06 0.03 0.00 0.06 0.00 0.00 58.65 58.80 3hww h GLN 358 Cb 0.76 -0.21 -0.04 0.00 0.30 0.00 0.00 27.48 28.28 3hww h GLN 358 CO 0.06 0.62 0.37 0.00 -0.67 0.00 0.00 178.83 179.22 3hww h ALA 359 N 1.30 0.79 -0.42 3.87 0.00 -0.98 -0.93 119.26 122.90 3hww h ALA 359 Ca 0.29 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 3hww h ALA 359 Cb -0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3hww h ALA 359 CO -0.09 0.10 0.10 0.28 0.00 0.00 0.00 179.25 179.64 3hww h VAL 360 N 0.73 1.23 -0.88 0.00 2.07 -1.24 -2.98 116.25 115.17 3hww h VAL 360 Ca 0.25 -0.80 0.06 0.00 0.82 0.00 0.00 66.70 67.02 3hww h VAL 360 Cb 0.03 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 30.69 3hww h VAL 360 CO -0.11 0.28 0.56 0.40 0.02 0.00 0.00 177.57 178.72 3hww h ILE 361 N 0.55 1.07 0.00 4.57 2.04 -1.00 -0.16 117.51 124.58 3hww h ILE 361 Ca 0.13 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.64 3hww h ILE 361 Cb 0.32 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.35 3hww h ILE 361 CO 0.00 0.19 0.00 0.00 0.00 0.00 0.00 178.15 178.34 3hww n ALA 362 N -2.35 1.47 -0.84 1.87 0.00 -0.37 -2.22 120.51 118.06 3hww n ALA 362 Ca 0.13 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.58 3hww n ALA 362 Cb 0.16 -0.98 0.02 0.00 0.00 0.00 0.00 19.45 18.65 3hww n ALA 362 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3hww n ARG 363 N -0.90 1.18 0.00 0.00 5.12 -0.08 -4.88 116.66 117.09 3hww n ARG 363 Ca 0.00 -1.21 0.08 0.00 -1.93 0.00 0.00 57.85 54.79 3hww n ARG 363 Cb 0.00 -0.81 0.46 0.00 -1.16 0.00 0.00 32.46 30.95 3hww n ARG 363 CO 0.00 0.00 0.00 2.89 -1.93 0.00 0.00 177.63 178.59 3hww n ARG 364 N -0.37 0.36 -0.11 5.56 1.85 -0.94 -4.35 116.66 118.66 3hww n ARG 364 Ca 0.02 0.08 -0.22 0.00 -1.00 0.00 0.00 57.85 56.73 3hww n ARG 364 Cb 0.47 -1.50 -0.12 0.00 -1.05 0.00 0.00 32.46 30.26 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 -1.17 1.99 -4.64 2.89 8.00 -1.26 -4.87 116.55 117.48 3hww n ASP 365 Ca 0.10 0.11 -0.47 0.00 0.71 0.00 0.00 54.79 55.24 3hww n ASP 365 Cb 0.11 -0.66 -0.04 0.00 -0.02 0.00 0.00 41.12 40.51 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 -3.52 0.44 -2.46 2.24 0.00 -1.26 -4.79 120.51 111.16 3hww n ALA 366 Ca -0.45 0.44 -0.39 0.00 0.00 0.00 0.00 53.44 53.04 3hww n ALA 366 Cb 0.94 -2.20 -0.02 0.00 0.00 0.00 0.00 19.45 18.17 3hww n ALA 366 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 3hww s PHE 367 N 0.15 2.57 0.30 0.00 5.36 -1.26 -4.67 117.98 120.43 3hww s PHE 367 Ca 0.73 -1.10 0.06 0.00 -0.96 0.00 0.00 56.93 55.66 3hww s PHE 367 Cb -0.74 -4.58 -0.02 0.00 -0.34 0.00 0.00 43.02 37.33 3hww s PHE 367 CO 0.48 -1.68 0.21 0.41 -1.46 0.00 0.00 175.22 173.17 3hww n GLY 368 N 5.59 3.16 0.20 13.12 0.00 -1.26 -5.06 105.19 120.94 3hww n GLY 368 Ca 0.47 -1.92 -0.08 0.00 0.00 0.00 0.00 46.02 44.49 3hww n GLY 368 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hww h GLU 369 N 0.00 -0.15 -0.44 1.61 4.81 -1.95 -0.80 114.58 117.66 3hww h GLU 369 Ca -0.22 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 58.96 3hww h GLU 369 Cb 1.02 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 3hww h GLU 369 CO 0.33 -0.10 0.02 0.00 -0.73 0.00 0.00 179.01 178.52 3hww h ALA 370 N 0.96 1.21 0.01 2.92 0.00 -1.91 -0.64 119.26 121.81 3hww h ALA 370 Ca 0.12 -0.24 -0.20 0.00 0.00 0.00 0.00 54.91 54.59 3hww h ALA 370 Cb 0.33 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 3hww h ALA 370 CO -0.29 0.53 -0.92 1.96 0.00 0.00 0.00 179.25 180.53 3hww h GLN 371 N 0.67 0.11 -0.26 0.00 7.50 -1.78 0.22 115.11 121.57 3hww h GLN 371 Ca 0.14 -0.14 -0.13 0.00 0.50 0.00 0.00 58.65 59.02 3hww h GLN 371 Cb 0.39 0.04 -0.00 0.00 0.05 0.00 0.00 27.48 27.96 3hww h GLN 371 CO 0.01 0.95 -0.35 1.25 -1.50 0.00 0.00 178.83 179.19 3hww h LEU 372 N 0.05 0.76 -1.00 1.46 5.85 -0.93 -2.02 115.31 119.47 3hww h LEU 372 Ca -0.04 -0.50 0.04 0.00 0.84 0.00 0.00 57.88 58.22 3hww h LEU 372 Cb 1.59 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 42.34 3hww h LEU 372 CO 0.13 1.11 0.65 0.00 -0.34 0.00 0.00 178.44 180.00 3hww h ALA 373 N 0.67 1.34 -0.38 1.25 0.00 -0.97 -1.32 119.26 119.85 3hww h ALA 373 Ca 0.03 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 3hww h ALA 373 Cb 0.93 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3hww h ALA 373 CO 0.08 0.53 -0.35 1.25 0.00 0.00 0.00 179.25 180.76 3hww h HIS 374 N 1.25 1.02 -0.10 0.00 -0.00 -0.81 -3.15 115.15 113.35 3hww h HIS 374 Ca 0.41 -0.29 0.00 0.00 -0.00 0.00 0.00 60.37 60.49 3hww h HIS 374 Cb 0.04 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 27.23 3hww h HIS 374 CO -0.00 1.08 0.00 0.54 -0.00 0.00 0.00 177.93 179.55 3hww n ARG 375 N -4.06 1.87 -0.22 5.26 1.74 -0.77 -4.49 116.66 115.99 3hww n ARG 375 Ca -0.01 -1.28 0.12 0.00 -0.77 0.00 0.00 57.85 55.91 3hww n ARG 375 Cb 0.52 -1.45 0.42 0.00 -1.02 0.00 0.00 32.46 30.93 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 2.87 0.85 0.00 0.55 6.09 -1.20 0.87 117.51 127.54 3hww h ILE 376 Ca 0.00 -0.21 0.00 0.00 -1.37 0.00 0.00 64.86 63.28 3hww h ILE 376 Cb 0.62 0.20 0.00 0.00 0.47 0.00 0.00 36.82 38.10 3hww h ILE 376 CO 0.00 0.11 0.00 0.00 -3.07 0.00 0.00 178.15 175.19 3hww h ASP 378 N 0.00 0.00 -0.03 0.00 3.32 -1.17 -3.28 116.42 115.26 3hww h ASP 378 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hww h ASP 378 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 3hww h ASP 378 CO 0.00 0.29 0.00 -1.22 -1.72 0.00 0.00 179.24 176.59 3hww n TYR 379 N -3.50 0.01 -1.69 4.55 4.01 0.10 -4.98 117.16 115.65 3hww n TYR 379 Ca -0.00 -0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.29 3hww n TYR 379 Cb 0.45 -0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.45 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 1.17 3.60 -4.75 7.72 4.77 -1.14 -4.94 117.00 123.43 3hww n LEU 380 Ca 0.12 1.05 -0.41 0.00 -0.03 0.00 0.00 56.01 56.74 3hww n LEU 380 Cb 0.52 -1.50 -0.02 0.00 -2.33 0.00 0.00 43.42 40.10 3hww n LEU 380 CO 0.13 -0.03 1.21 -2.16 -1.33 0.00 0.00 177.39 175.22 3hww s PRO 381 N 1.55 4.14 0.20 3.23 0.04 -1.26 -4.95 135.00 137.96 3hww s PRO 381 Ca 0.79 2.54 -0.33 0.00 0.04 0.00 0.00 61.00 64.04 3hww s PRO 381 Cb -0.58 -3.03 -0.13 0.00 0.04 0.00 0.00 34.50 30.80 3hww s PRO 381 CO 0.37 -0.59 1.59 -1.91 0.04 0.00 0.00 177.00 176.50 3hww n GLU 382 N 2.00 2.35 -3.04 4.56 0.00 -1.26 -1.50 120.64 123.74 3hww n GLU 382 Ca 0.07 0.84 -0.20 0.00 0.00 0.00 0.00 57.16 57.88 3hww n GLU 382 Cb 0.38 -2.62 0.00 0.00 0.00 0.00 0.00 31.44 29.20 3hww n GLU 382 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 3hww n GLN 383 N 3.22 -3.28 -0.47 5.31 1.13 -1.26 -4.88 117.38 117.15 3hww n GLN 383 Ca 0.15 0.57 0.00 0.00 -1.94 0.00 0.00 57.00 55.78 3hww n GLN 383 Cb 0.31 -5.27 0.00 0.00 0.11 0.00 0.00 30.24 25.39 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 -1.12 3.01 3.12 1.08 0.00 -0.56 -4.53 105.19 106.19 3hww n GLY 384 Ca -0.07 -2.08 -0.09 0.00 0.00 0.00 0.00 46.02 43.78 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 0.81 0.62 -0.11 1.61 -2.07 -0.88 -4.31 119.66 115.33 3hww s GLN 385 Ca 0.00 -0.83 -0.00 0.00 -1.82 0.00 0.00 55.36 52.71 3hww s GLN 385 Cb 0.00 0.24 -0.02 0.00 -1.09 0.00 0.00 33.01 32.14 3hww s GLN 385 CO 0.00 -0.16 -0.09 -1.17 -1.32 0.00 0.00 175.29 172.55 3hww s LEU 386 N -2.29 2.97 -0.09 2.60 2.96 0.50 -2.51 118.68 122.81 3hww s LEU 386 Ca -0.03 -0.18 0.04 0.00 -0.22 0.00 0.00 54.13 53.75 3hww s LEU 386 Cb 0.01 -1.66 -0.01 0.00 0.50 0.00 0.00 46.19 45.02 3hww s LEU 386 CO -0.06 0.25 -0.21 0.12 -1.32 0.00 0.00 176.35 175.13 3hww s PHE 387 N -0.13 2.58 -0.08 5.38 5.36 0.47 -0.16 117.98 131.40 3hww s PHE 387 Ca 0.00 -0.77 0.00 0.00 -0.96 0.00 0.00 56.93 55.21 3hww s PHE 387 Cb -0.13 -1.69 0.02 0.00 -0.34 0.00 0.00 43.02 40.87 3hww s PHE 387 CO 0.03 -0.25 -0.08 0.54 -1.46 0.00 0.00 175.22 174.00 3hww s VAL 388 N 0.07 0.92 0.00 3.12 0.11 -0.69 -1.12 120.40 122.80 3hww s VAL 388 Ca -0.09 -0.28 0.00 0.00 -2.93 0.00 0.00 61.98 58.68 3hww s VAL 388 Cb -0.15 -0.92 0.00 0.00 -1.53 0.00 0.00 36.38 33.78 3hww s VAL 388 CO 0.06 0.33 0.00 0.61 -3.33 0.00 0.00 175.10 172.77 3hww n GLY 389 N 4.49 -1.14 2.82 6.54 0.00 0.79 -4.36 105.19 114.32 3hww n GLY 389 Ca -0.17 -1.54 -0.33 0.00 0.00 0.00 0.00 46.02 43.99 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 0.00 5.64 -4.22 1.61 3.02 -1.26 -4.81 115.26 115.24 3hww n ASN 390 Ca 0.00 -3.69 -0.26 0.00 -0.03 0.00 0.00 54.58 50.60 3hww n ASN 390 Cb 0.00 -0.81 -0.08 0.00 -0.61 0.00 0.00 39.78 38.28 3hww n ASN 390 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3hww s SER 391 N -2.62 2.90 0.17 6.41 0.01 -1.26 -5.01 113.70 114.30 3hww s SER 391 Ca 0.45 -1.65 -0.13 0.00 1.31 0.00 0.00 55.95 55.93 3hww s SER 391 Cb 0.24 0.45 0.07 0.00 0.21 0.00 0.00 66.02 66.99 3hww s SER 391 CO -0.13 -0.89 1.78 0.25 0.41 0.00 0.00 173.24 174.65 3hww h LEU 392 N 1.77 0.70 -1.62 2.44 6.46 -2.00 -2.97 115.31 120.09 3hww h LEU 392 Ca -0.37 -0.09 0.22 0.00 -0.12 0.00 0.00 57.88 57.52 3hww h LEU 392 Cb 1.27 -0.18 -0.06 0.00 -0.73 0.00 0.00 40.66 40.97 3hww h LEU 392 CO 0.60 0.59 0.61 1.62 -0.62 0.00 0.00 178.44 181.24 3hww h VAL 393 N 0.75 0.63 0.00 1.05 3.04 -1.95 0.29 116.25 120.06 3hww h VAL 393 Ca 0.20 -0.10 -0.24 0.00 -1.01 0.00 0.00 66.70 65.55 3hww h VAL 393 Cb 0.04 0.31 -0.04 0.00 -2.01 0.00 0.00 31.29 29.59 3hww h VAL 393 CO -0.03 0.06 -1.26 1.62 -1.01 0.00 0.00 177.57 176.94 3hww h VAL 394 N 0.30 1.34 -0.89 1.51 3.04 -1.84 -1.68 116.25 118.04 3hww h VAL 394 Ca 0.47 -3.10 0.02 0.00 -1.01 0.00 0.00 66.70 63.08 3hww h VAL 394 Cb 1.33 2.66 -0.05 0.00 -2.01 0.00 0.00 31.29 33.22 3hww h VAL 394 CO -0.14 0.77 0.59 0.03 -1.01 0.00 0.00 177.57 177.80 3hww h ARG 395 N 0.00 1.14 -0.79 4.17 3.08 -0.89 -1.47 114.38 119.62 3hww h ARG 395 Ca -0.12 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 59.82 3hww h ARG 395 Cb 1.85 -0.26 -0.04 0.00 0.08 0.00 0.00 29.97 31.61 3hww h ARG 395 CO 0.11 0.76 0.32 -0.07 -1.07 0.00 0.00 179.97 180.01 3hww h LEU 396 N 1.18 1.08 -0.57 3.04 3.38 -0.44 0.82 115.31 123.79 3hww h LEU 396 Ca 0.34 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3hww h LEU 396 Cb -0.09 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.35 3hww h LEU 396 CO -0.08 0.96 0.37 0.40 0.09 0.00 0.00 178.44 180.18 3hww h ILE 397 N 1.15 1.15 -0.89 1.22 2.04 -1.17 0.22 117.51 121.23 3hww h ILE 397 Ca 0.26 -0.30 0.01 0.00 1.00 0.00 0.00 64.86 65.84 3hww h ILE 397 Cb 0.21 0.32 -0.05 0.00 -0.74 0.00 0.00 36.82 36.57 3hww h ILE 397 CO -0.02 0.15 0.59 -0.78 0.00 0.00 0.00 178.15 178.09 3hww h ASP 398 N 0.78 1.01 0.38 1.72 3.58 -0.80 -1.22 116.42 121.88 3hww h ASP 398 Ca 0.21 -0.02 -0.27 0.00 0.42 0.00 0.00 57.03 57.37 3hww h ASP 398 Cb -0.07 -0.25 0.01 0.00 1.72 0.00 0.00 39.33 40.74 3hww h ASP 398 CO -0.04 0.73 -1.16 0.00 -2.88 0.00 0.00 179.24 175.89 3hww h ALA 399 N 1.33 0.15 -0.00 -0.78 0.00 -0.60 -3.41 119.26 115.95 3hww h ALA 399 Ca 0.33 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3hww h ALA 399 Cb -0.12 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3hww h ALA 399 CO -0.08 0.83 -0.07 1.28 0.00 0.00 0.00 179.25 181.22 3hww n LEU 400 N -3.68 0.73 -4.66 0.00 4.77 0.75 -3.96 117.00 110.95 3hww n LEU 400 Ca -0.10 -0.76 -0.24 0.00 -0.03 0.00 0.00 56.01 54.89 3hww n LEU 400 Cb 0.96 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.97 3hww n LEU 400 CO 0.54 0.16 -0.28 -0.55 -1.33 0.00 0.00 177.39 175.94 3hww s SER 401 N -0.77 4.37 -0.34 -1.43 0.15 -0.47 -4.58 113.70 110.64 3hww s SER 401 Ca 0.03 -0.87 0.01 0.00 0.70 0.00 0.00 55.95 55.82 3hww s SER 401 Cb 0.03 -0.64 0.10 0.00 -1.71 0.00 0.00 66.02 63.80 3hww s SER 401 CO 0.08 -0.21 0.10 -1.58 1.20 0.00 0.00 173.24 172.83 3hww s GLN 402 N -3.74 1.03 0.44 5.44 0.74 -1.26 -4.53 119.66 117.78 3hww s GLN 402 Ca 0.35 -1.45 -0.22 0.00 0.05 0.00 0.00 55.36 54.10 3hww s GLN 402 Cb -0.02 -2.44 -0.10 0.00 1.10 0.00 0.00 33.01 31.56 3hww s GLN 402 CO 0.20 -0.99 1.00 -0.51 -0.55 0.00 0.00 175.29 174.45 3hww s LEU 403 N 1.24 3.96 0.22 3.68 1.43 -1.26 -4.93 118.68 123.01 3hww s LEU 403 Ca 0.11 1.86 -0.30 0.00 -1.03 0.00 0.00 54.13 54.77 3hww s LEU 403 Cb -0.19 -4.45 -0.09 0.00 0.03 0.00 0.00 46.19 41.49 3hww s LEU 403 CO -0.17 -0.54 1.17 -2.84 0.23 0.00 0.00 176.35 174.20 3hww s PRO 404 N -3.01 4.53 0.02 1.29 0.02 -1.26 -3.62 135.00 132.97 3hww s PRO 404 Ca 0.63 1.86 -0.36 0.00 0.02 0.00 0.00 61.00 63.15 3hww s PRO 404 Cb -0.15 -3.22 -0.15 0.00 0.02 0.00 0.00 34.50 31.00 3hww s PRO 404 CO 0.19 0.01 1.52 0.00 -0.33 0.00 0.00 177.00 178.39 3hww n ALA 405 N 1.99 -0.11 -0.07 -1.55 0.00 -1.26 -1.98 120.51 117.52 3hww n ALA 405 Ca 0.02 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.92 3hww n ALA 405 Cb 0.45 -2.21 0.00 0.00 0.00 0.00 0.00 19.45 17.69 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 3.20 1.32 3.69 0.00 0.00 -0.24 -4.84 105.19 108.33 3hww n GLY 406 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.55 3.31 0.15 1.61 6.14 -0.84 -4.81 117.35 120.36 3hww s TYR 407 Ca 0.00 1.33 -0.31 0.00 0.64 0.00 0.00 57.07 58.73 3hww s TYR 407 Cb 0.00 -3.35 -0.08 0.00 0.42 0.00 0.00 41.96 38.94 3hww s TYR 407 CO 0.00 -1.00 1.34 -2.14 0.64 0.00 0.00 175.55 174.38 3hww s PRO 408 N 2.00 4.36 -0.06 4.97 0.02 -1.26 -4.80 135.00 140.23 3hww s PRO 408 Ca 0.54 2.05 0.04 0.00 0.02 0.00 0.00 61.00 63.65 3hww s PRO 408 Cb -0.24 -3.23 -0.00 0.00 0.02 0.00 0.00 34.50 31.06 3hww s PRO 408 CO 0.22 -0.34 -0.20 0.08 -0.33 0.00 0.00 177.00 176.44 3hww s VAL 409 N 0.63 1.67 0.18 3.83 1.01 -1.26 -0.37 120.40 126.08 3hww s VAL 409 Ca 0.60 -0.83 0.09 0.00 0.00 0.00 0.00 61.98 61.84 3hww s VAL 409 Cb -0.36 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 3hww s VAL 409 CO 0.34 0.47 -0.18 -0.31 0.00 0.00 0.00 175.10 175.43 3hww s TYR 410 N 0.14 1.82 0.31 5.22 2.02 0.78 -4.97 117.35 122.68 3hww s TYR 410 Ca -0.09 -0.48 -0.18 0.00 -0.37 0.00 0.00 57.07 55.96 3hww s TYR 410 Cb -0.14 -0.89 0.07 0.00 -0.40 0.00 0.00 41.96 40.59 3hww s TYR 410 CO 0.04 0.35 0.89 -1.54 -1.57 0.00 0.00 175.55 173.73 3hww s SER 411 N -2.81 0.02 -0.65 2.29 1.04 -1.26 -1.71 113.70 110.62 3hww s SER 411 Ca 0.17 -0.99 0.06 0.00 0.48 0.00 0.00 55.95 55.67 3hww s SER 411 Cb -0.05 0.72 0.21 0.00 0.10 0.00 0.00 66.02 67.00 3hww s SER 411 CO 0.07 -1.43 0.62 0.59 0.98 0.00 0.00 173.24 174.06 3hww n ASN 412 N -1.39 3.16 -0.86 7.02 3.02 -1.26 -4.90 115.26 120.05 3hww n ASN 412 Ca -0.06 -3.28 0.09 0.00 -0.03 0.00 0.00 54.58 51.29 3hww n ASN 412 Cb 0.60 -0.70 0.26 0.00 -0.61 0.00 0.00 39.78 39.32 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 1.42 2.87 0.00 3.52 5.12 -1.26 -2.85 116.66 125.47 3hww n ARG 413 Ca 0.25 -2.83 0.00 0.00 -1.93 0.00 0.00 57.85 53.35 3hww n ARG 413 Cb 0.39 -1.83 0.00 0.00 -1.16 0.00 0.00 32.46 29.86 3hww n ARG 413 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3hww n GLY 414 N -0.53 -1.44 0.82 -0.13 0.00 -1.26 -4.34 105.19 98.30 3hww n GLY 414 Ca 0.21 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.33 3hww n GLY 414 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hww n ALA 415 N -0.96 2.45 -3.72 4.61 0.00 -1.26 -5.00 120.51 116.63 3hww n ALA 415 Ca 0.00 -0.70 -0.26 0.00 0.00 0.00 0.00 53.44 52.47 3hww n ALA 415 Cb 0.00 -0.67 0.06 0.00 0.00 0.00 0.00 19.45 18.84 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 1.12 -5.63 -4.70 0.00 7.64 -1.13 -4.95 113.62 105.97 3hww n SER 416 Ca 0.12 -0.64 -0.37 0.00 1.01 0.00 0.00 58.87 59.00 3hww n SER 416 Cb 0.50 -4.58 0.08 0.00 -1.01 0.00 0.00 64.21 59.20 3hww n SER 416 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3hww n GLY 417 N -1.87 0.28 0.70 0.23 0.00 -1.26 -4.92 105.19 98.36 3hww n GLY 417 Ca 0.01 -0.21 0.08 0.00 0.00 0.00 0.00 46.02 45.90 3hww n GLY 417 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3hww n ILE 418 N -2.11 1.88 1.18 -0.61 -5.35 -1.26 -4.62 119.36 108.47 3hww n ILE 418 Ca 0.15 -1.67 0.13 0.00 -0.27 0.00 0.00 62.75 61.09 3hww n ILE 418 Cb 0.48 -0.04 0.30 0.00 -1.74 0.00 0.00 39.64 38.65 3hww n ILE 418 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 3hww n ASP 419 N -0.37 1.09 -1.82 7.28 5.75 -1.26 -4.48 116.55 122.74 3hww n ASP 419 Ca 0.17 -0.90 0.03 0.00 -0.01 0.00 0.00 54.79 54.08 3hww n ASP 419 Cb 0.73 0.21 0.03 0.00 -1.03 0.00 0.00 41.12 41.06 3hww n ASP 419 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3hww n GLY 420 N 1.37 1.29 0.11 6.12 0.00 -1.26 -4.58 105.19 108.24 3hww n GLY 420 Ca 0.11 -0.92 -0.11 0.00 0.00 0.00 0.00 46.02 45.10 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 1.41 0.30 0.02 0.99 3.38 -1.84 -1.47 115.31 118.10 3hww h LEU 421 Ca -0.20 -0.28 -0.21 0.00 0.09 0.00 0.00 57.88 57.28 3hww h LEU 421 Cb 1.73 -0.10 0.02 0.00 0.09 0.00 0.00 40.66 42.40 3hww h LEU 421 CO 0.12 1.14 -0.83 -0.07 0.09 0.00 0.00 178.44 178.89 3hww h LEU 422 N 0.10 0.70 -0.98 1.67 3.38 -1.87 -0.98 115.31 117.32 3hww h LEU 422 Ca -0.07 -0.77 -0.08 0.00 0.09 0.00 0.00 57.88 57.05 3hww h LEU 422 Cb 1.70 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 42.22 3hww h LEU 422 CO 0.16 1.38 -0.12 0.77 0.09 0.00 0.00 178.44 180.72 3hww h SER 423 N 0.09 0.58 0.40 -0.43 4.64 -1.85 -0.38 113.55 116.60 3hww h SER 423 Ca -0.11 -0.16 -0.02 0.00 -0.47 0.00 0.00 61.79 61.03 3hww h SER 423 Cb 1.53 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 3hww h SER 423 CO 0.16 0.74 -0.19 0.74 -0.87 0.00 0.00 176.83 177.41 3hww h THR 424 N 0.55 0.61 -0.82 2.95 2.02 -1.23 -1.23 112.91 115.76 3hww h THR 424 Ca 0.10 -0.04 0.13 0.00 0.77 0.00 0.00 66.41 67.37 3hww h THR 424 Cb 0.54 0.63 -0.06 0.00 -1.74 0.00 0.00 68.15 67.52 3hww h THR 424 CO 0.03 0.01 0.54 0.00 0.37 0.00 0.00 175.52 176.47 3hww h ALA 425 N 0.05 1.89 -0.70 6.16 0.00 -0.89 0.17 119.26 125.95 3hww h ALA 425 Ca -0.05 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3hww h ALA 425 Cb 0.42 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 3hww h ALA 425 CO 0.09 -0.10 0.40 0.00 0.00 0.00 0.00 179.25 179.63 3hww h ALA 426 N 1.61 0.89 -0.33 0.00 0.00 -0.55 -0.07 119.26 120.81 3hww h ALA 426 Ca 0.40 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 55.06 3hww h ALA 426 Cb 0.68 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3hww h ALA 426 CO -0.16 0.39 -0.42 0.78 0.00 0.00 0.00 179.25 179.84 3hww h GLY 427 N 0.95 0.91 0.88 0.00 0.00 0.41 -2.01 103.07 104.20 3hww h GLY 427 Ca 0.25 -0.94 0.00 0.00 0.00 0.00 0.00 47.33 46.64 3hww h GLY 427 CO -0.04 0.85 -0.11 -2.08 0.00 0.00 0.00 176.54 175.16 3hww h VAL 428 N 0.67 0.76 -0.77 4.60 2.07 -0.58 -1.59 116.25 121.41 3hww h VAL 428 Ca 0.05 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.56 3hww h VAL 428 Cb 0.99 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 3hww h VAL 428 CO 0.10 0.00 0.43 -0.61 0.02 0.00 0.00 177.57 177.51 3hww h GLN 429 N -0.25 1.07 -0.44 1.57 -0.00 -0.98 -3.15 115.11 112.94 3hww h GLN 429 Ca 0.00 -0.12 -0.06 0.00 -0.00 0.00 0.00 58.65 58.48 3hww h GLN 429 Cb 0.23 -0.21 -0.02 0.00 0.00 0.00 0.00 27.48 27.48 3hww h GLN 429 CO -0.02 0.78 0.05 0.00 0.00 0.00 0.00 178.83 179.64 3hww h ARG 430 N 1.06 0.74 -0.82 1.69 3.08 -1.20 -0.52 114.38 118.40 3hww h ARG 430 Ca 0.27 -0.21 0.04 0.00 0.07 0.00 0.00 59.98 60.15 3hww h ARG 430 Cb 0.02 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 29.94 3hww h ARG 430 CO -0.05 0.78 0.52 0.00 -1.07 0.00 0.00 179.97 180.16 3hww h ALA 431 N 0.93 1.09 0.00 0.04 0.00 -1.25 -3.17 119.26 116.90 3hww h ALA 431 Ca 0.13 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3hww h ALA 431 Cb 0.41 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3hww h ALA 431 CO 0.01 0.34 -1.81 -1.13 0.00 0.00 0.00 179.25 176.66 3hww n SER 432 N -4.59 0.20 -0.22 0.00 3.41 -1.21 -4.89 113.62 106.32 3hww n SER 432 Ca 0.10 0.08 -0.03 0.00 -0.26 0.00 0.00 58.87 58.76 3hww n SER 432 Cb 0.10 1.54 -0.01 0.00 -0.26 0.00 0.00 64.21 65.58 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 1.29 0.55 3.87 5.00 0.00 -0.21 -5.02 105.19 110.67 3hww n GLY 433 Ca -0.06 -0.22 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.47 3.83 0.50 1.61 1.02 -1.23 -4.46 119.74 119.53 3hww s LYS 434 Ca 0.00 0.40 -0.22 0.00 0.02 0.00 0.00 55.97 56.17 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 0.18 1.19 -1.25 -0.92 0.00 0.00 175.35 174.55 3hww s PRO 435 N -3.18 3.54 -0.02 -1.68 0.04 -1.26 -4.64 135.00 127.80 3hww s PRO 435 Ca 0.50 1.82 0.01 0.00 0.04 0.00 0.00 61.00 63.36 3hww s PRO 435 Cb -0.11 -2.28 0.02 0.00 0.04 0.00 0.00 34.50 32.17 3hww s PRO 435 CO 0.23 -0.74 -0.01 0.99 0.04 0.00 0.00 177.00 177.51 3hww s THR 436 N -1.55 0.21 -0.35 1.26 2.01 -0.12 -2.07 115.64 115.03 3hww s THR 436 Ca 0.67 0.01 -0.12 0.00 0.31 0.00 0.00 61.69 62.56 3hww s THR 436 Cb -0.30 -0.27 0.00 0.00 0.01 0.00 0.00 72.50 71.95 3hww s THR 436 CO 0.35 0.12 0.22 -0.22 -0.69 0.00 0.00 174.62 174.41 3hww s LEU 437 N 0.68 4.57 -0.17 4.42 2.96 -1.05 -0.36 118.68 129.73 3hww s LEU 437 Ca -0.07 -0.66 -0.03 0.00 -0.22 0.00 0.00 54.13 53.15 3hww s LEU 437 Cb -0.10 -2.08 -0.02 0.00 0.50 0.00 0.00 46.19 44.48 3hww s LEU 437 CO -0.01 -0.30 -0.04 0.00 -1.32 0.00 0.00 176.35 174.68 3hww s ALA 438 N 1.65 2.92 -0.18 5.97 0.00 0.34 -0.40 121.76 132.07 3hww s ALA 438 Ca 0.05 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 3hww s ALA 438 Cb -0.18 -1.57 -0.00 0.00 0.00 0.00 0.00 23.12 21.37 3hww s ALA 438 CO 0.09 0.06 -0.12 0.42 0.00 0.00 0.00 175.76 176.20 3hww s ILE 439 N 0.65 2.85 0.04 0.00 1.01 -0.28 -0.98 121.20 124.49 3hww s ILE 439 Ca -0.03 -0.69 -0.06 0.00 0.00 0.00 0.00 60.65 59.87 3hww s ILE 439 Cb -0.15 -2.24 -0.01 0.00 0.01 0.00 0.00 42.46 40.08 3hww s ILE 439 CO 0.02 0.49 0.11 -0.69 0.00 0.00 0.00 174.94 174.87 3hww s VAL 440 N 1.09 0.13 0.66 2.92 1.01 -0.86 -0.15 120.40 125.19 3hww s VAL 440 Ca 0.00 -1.07 -0.03 0.00 0.00 0.00 0.00 61.98 60.89 3hww s VAL 440 Cb -0.14 -0.91 0.07 0.00 0.00 0.00 0.00 36.38 35.39 3hww s VAL 440 CO -0.03 -0.59 0.93 -0.83 0.00 0.00 0.00 175.10 174.57 3hww s GLY 441 N -2.14 1.76 0.24 4.51 0.00 -1.26 -0.81 107.32 109.62 3hww s GLY 441 Ca -0.05 -1.26 -0.02 0.00 0.00 0.00 0.00 44.72 43.39 3hww s GLY 441 CO -0.05 -0.86 1.68 1.29 0.00 0.00 0.00 173.10 175.17 3hww h ASP 442 N -0.36 0.70 -0.16 1.64 2.03 -1.20 -2.96 116.42 116.11 3hww h ASP 442 Ca -0.42 -0.23 -0.05 0.00 -0.73 0.00 0.00 57.03 55.60 3hww h ASP 442 Cb 1.30 -0.19 -0.02 0.00 -0.83 0.00 0.00 39.33 39.59 3hww h ASP 442 CO 0.52 0.88 -0.05 -0.07 -1.03 0.00 0.00 179.24 179.49 3hww h LEU 443 N 0.63 0.43 -1.31 0.15 3.38 -1.86 -1.00 115.31 115.73 3hww h LEU 443 Ca 0.10 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 3hww h LEU 443 Cb 0.65 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3hww h LEU 443 CO 0.05 0.53 -0.32 0.28 0.09 0.00 0.00 178.44 179.07 3hww h SER 444 N 0.43 0.00 0.28 -0.43 0.02 -1.76 0.17 113.55 112.26 3hww h SER 444 Ca 0.09 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.70 3hww h SER 444 Cb 0.37 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.93 3hww h SER 444 CO 0.02 0.32 -1.56 0.00 -1.14 0.00 0.00 176.83 174.47 3hww h ALA 445 N 1.68 -0.03 -0.29 3.77 0.00 -1.31 -2.26 119.26 120.82 3hww h ALA 445 Ca -0.00 -0.96 -0.10 0.00 0.00 0.00 0.00 54.91 53.84 3hww h ALA 445 Cb 0.66 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 3hww h ALA 445 CO 0.04 0.84 -0.22 -0.07 0.00 0.00 0.00 179.25 179.84 3hww h LEU 446 N 0.13 0.69 -0.45 0.00 3.38 -0.95 -1.93 115.31 116.18 3hww h LEU 446 Ca -0.28 -0.45 0.09 0.00 0.09 0.00 0.00 57.88 57.34 3hww h LEU 446 Cb 2.13 -0.19 -0.09 0.00 0.09 0.00 0.00 40.66 42.59 3hww h LEU 446 CO 0.24 0.99 -0.24 0.22 0.09 0.00 0.00 178.44 179.74 3hww h TYR 447 N 0.40 -0.61 -0.75 1.13 5.03 -0.61 -2.79 116.97 118.77 3hww h TYR 447 Ca 0.05 0.05 -0.43 0.00 2.58 0.00 0.00 58.73 60.99 3hww h TYR 447 Cb 0.77 0.34 -0.24 0.00 1.55 0.00 0.00 36.73 39.14 3hww h TYR 447 CO 0.07 -0.31 0.32 -3.47 -1.32 0.00 0.00 178.16 173.44 3hww n ASP 448 N -5.40 4.00 -0.27 -2.11 2.03 -0.86 -4.78 116.55 109.16 3hww n ASP 448 Ca 0.03 -3.72 0.08 0.00 0.52 0.00 0.00 54.79 51.70 3hww n ASP 448 Cb 0.31 -0.75 0.23 0.00 -0.72 0.00 0.00 41.12 40.19 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 1.25 0.19 0.00 -2.67 5.85 -1.06 0.22 115.31 119.09 3hww h LEU 449 Ca 0.47 0.14 0.00 0.00 0.84 0.00 0.00 57.88 59.33 3hww h LEU 449 Cb 2.00 0.15 0.00 0.00 0.37 0.00 0.00 40.66 43.18 3hww h LEU 449 CO 0.90 0.01 0.00 -0.46 -0.34 0.00 0.00 178.44 178.56 3hww n ASN 450 N -5.08 0.00 0.00 1.25 0.23 -1.26 -1.15 115.26 109.25 3hww n ASN 450 Ca 0.17 0.15 0.10 0.00 -0.53 0.00 0.00 54.58 54.47 3hww n ASN 450 Cb 0.52 -0.35 0.47 0.00 -2.08 0.00 0.00 39.78 38.34 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 -1.35 1.98 -0.20 -2.53 0.00 0.77 -2.52 120.51 116.67 3hww n ALA 451 Ca 0.08 -0.08 0.06 0.00 0.00 0.00 0.00 53.44 53.50 3hww n ALA 451 Cb 0.17 -1.32 0.34 0.00 0.00 0.00 0.00 19.45 18.64 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 0.00 0.69 -0.62 0.00 3.38 -1.27 -1.09 115.31 116.40 3hww h LEU 452 Ca 0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.10 3hww h LEU 452 Cb 0.25 -0.14 -0.11 0.00 0.09 0.00 0.00 40.66 40.74 3hww h LEU 452 CO 0.00 0.45 -0.11 0.00 0.09 0.00 0.00 178.44 178.87 3hww h ALA 453 N 1.59 0.48 -0.98 1.53 0.00 -1.72 -0.73 119.26 119.43 3hww h ALA 453 Ca 0.32 0.23 0.08 0.00 0.00 0.00 0.00 54.91 55.54 3hww h ALA 453 Cb 0.25 0.43 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 3hww h ALA 453 CO -0.11 -0.42 0.63 -0.07 0.00 0.00 0.00 179.25 179.28 3hww h LEU 454 N 0.03 0.98 -0.20 0.00 3.38 -1.41 -3.01 115.31 115.08 3hww h LEU 454 Ca 0.31 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.30 3hww h LEU 454 Cb 0.49 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3hww h LEU 454 CO -0.61 0.60 0.00 0.18 0.09 0.00 0.00 178.44 178.70 3hww n LEU 455 N -4.52 0.72 0.00 1.67 4.77 -0.32 -2.17 117.00 117.15 3hww n LEU 455 Ca 0.16 0.60 0.16 0.00 -0.03 0.00 0.00 56.01 56.89 3hww n LEU 455 Cb 0.23 -0.40 0.62 0.00 -2.33 0.00 0.00 43.42 41.53 3hww n LEU 455 CO 0.31 -0.28 1.17 0.03 -1.33 0.00 0.00 177.39 177.29 3hww h ARG 456 N 0.00 0.14 -1.75 3.23 3.08 -1.29 -3.29 114.38 114.50 3hww h ARG 456 Ca 0.00 -0.01 -0.68 0.00 0.07 0.00 0.00 59.98 59.36 3hww h ARG 456 Cb 0.61 -0.03 -0.34 0.00 0.08 0.00 0.00 29.97 30.29 3hww h ARG 456 CO 0.00 0.09 0.19 1.04 -1.07 0.00 0.00 179.97 180.22 3hww n GLN 457 N -4.43 3.08 -3.12 0.04 6.02 -0.92 -4.77 117.38 113.28 3hww n GLN 457 Ca 0.08 -4.00 -0.29 0.00 -0.01 0.00 0.00 57.00 52.78 3hww n GLN 457 Cb 0.46 -2.26 -0.03 0.00 1.02 0.00 0.00 30.24 29.43 3hww n GLN 457 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3hww s VAL 458 N -5.29 4.92 -1.79 5.09 -7.23 -1.24 -4.99 120.40 109.87 3hww s VAL 458 Ca 0.50 0.29 0.24 0.00 -1.81 0.00 0.00 61.98 61.21 3hww s VAL 458 Cb 0.42 -3.74 0.10 0.00 0.56 0.00 0.00 36.38 33.72 3hww s VAL 458 CO -0.30 -0.42 1.31 -1.54 -0.31 0.00 0.00 175.10 173.83 3hww n SER 459 N -1.14 1.44 -4.02 4.85 3.41 -1.26 -4.68 113.62 112.23 3hww n SER 459 Ca 0.00 -1.14 -0.10 0.00 -0.26 0.00 0.00 58.87 57.37 3hww n SER 459 Cb 0.54 0.35 -0.07 0.00 -0.26 0.00 0.00 64.21 64.77 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 -2.55 0.19 0.23 7.33 0.00 -1.26 -4.94 121.76 120.76 3hww s ALA 460 Ca 0.20 -1.04 -0.32 0.00 0.00 0.00 0.00 51.96 50.80 3hww s ALA 460 Cb 0.18 0.98 -0.13 0.00 0.00 0.00 0.00 23.12 24.15 3hww s ALA 460 CO 0.58 -0.67 1.58 -2.30 0.00 0.00 0.00 175.76 174.95 3hww n PRO 461 N -0.24 2.46 -4.71 0.00 -0.01 -1.26 -4.28 135.00 126.96 3hww n PRO 461 Ca -0.05 0.88 -0.31 0.00 -0.01 0.00 0.00 63.50 64.02 3hww n PRO 461 Cb 0.63 -2.65 -0.17 0.00 -0.01 0.00 0.00 33.50 31.31 3hww n PRO 461 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 175.50 174.32 3hww s LEU 462 N 0.33 1.95 -0.30 2.45 0.20 -0.87 -0.95 118.68 121.49 3hww s LEU 462 Ca 0.71 -0.52 -0.13 0.00 0.69 0.00 0.00 54.13 54.88 3hww s LEU 462 Cb -0.57 -1.28 -0.03 0.00 -0.43 0.00 0.00 46.19 43.87 3hww s LEU 462 CO 0.43 0.07 0.28 -0.69 -0.29 0.00 0.00 176.35 176.15 3hww s VAL 463 N 0.76 5.25 -0.51 1.68 1.01 0.51 -1.32 120.40 127.79 3hww s VAL 463 Ca -0.10 0.15 -0.19 0.00 0.00 0.00 0.00 61.98 61.85 3hww s VAL 463 Cb -0.16 -3.67 0.06 0.00 0.00 0.00 0.00 36.38 32.62 3hww s VAL 463 CO 0.01 0.11 0.60 -0.22 0.00 0.00 0.00 175.10 175.59 3hww s LEU 464 N 1.88 5.08 -0.29 3.92 2.96 -0.13 -0.50 118.68 131.59 3hww s LEU 464 Ca 0.10 -1.00 -0.24 0.00 -0.22 0.00 0.00 54.13 52.76 3hww s LEU 464 Cb -0.16 -2.40 0.00 0.00 0.50 0.00 0.00 46.19 44.12 3hww s LEU 464 CO 0.11 -0.88 0.82 -0.63 -1.32 0.00 0.00 176.35 174.46 3hww s ILE 465 N 2.51 4.77 -0.41 6.68 1.01 -0.15 -0.59 121.20 135.02 3hww s ILE 465 Ca 0.13 1.32 -0.12 0.00 0.00 0.00 0.00 60.65 61.98 3hww s ILE 465 Cb -0.20 -4.17 0.04 0.00 0.01 0.00 0.00 42.46 38.15 3hww s ILE 465 CO 0.11 -0.23 0.27 -0.69 0.00 0.00 0.00 174.94 174.40 3hww s VAL 466 N 3.00 4.78 -0.46 2.92 1.01 0.11 -2.03 120.40 129.73 3hww s VAL 466 Ca 0.34 -0.96 -0.29 0.00 0.00 0.00 0.00 61.98 61.08 3hww s VAL 466 Cb -0.14 -3.75 0.03 0.00 0.00 0.00 0.00 36.38 32.52 3hww s VAL 466 CO 0.12 -0.37 1.19 -0.69 0.00 0.00 0.00 175.10 175.35 3hww s VAL 467 N 1.57 4.15 -0.36 2.92 1.01 0.01 -1.37 120.40 128.34 3hww s VAL 467 Ca 0.03 1.18 -0.08 0.00 0.00 0.00 0.00 61.98 63.12 3hww s VAL 467 Cb -0.21 -4.52 0.04 0.00 0.00 0.00 0.00 36.38 31.70 3hww s VAL 467 CO 0.07 -0.94 0.15 0.21 0.00 0.00 0.00 175.10 174.58 3hww s ASN 468 N 2.72 5.44 -0.13 3.32 3.84 0.23 -0.63 114.94 129.74 3hww s ASN 468 Ca 0.51 -1.18 0.15 0.00 0.21 0.00 0.00 52.86 52.54 3hww s ASN 468 Cb -0.09 -1.91 0.40 0.00 -0.55 0.00 0.00 41.25 39.10 3hww s ASN 468 CO 0.31 -0.37 1.30 -0.46 -2.79 0.00 0.00 177.10 175.09 3hww n ASN 469 N 4.86 3.22 -2.33 -4.21 0.23 -1.26 0.22 115.26 115.99 3hww n ASN 469 Ca -0.12 -2.80 -0.15 0.00 -0.53 0.00 0.00 54.58 50.99 3hww n ASN 469 Cb 0.45 -0.43 0.04 0.00 -2.08 0.00 0.00 39.78 37.76 3hww n ASN 469 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3hww n ASN 470 N -0.57 -4.70 0.00 0.53 3.02 -1.26 -4.46 115.26 107.81 3hww n ASN 470 Ca 0.17 -0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.42 3hww n ASN 470 Cb 0.71 -3.36 0.00 0.00 -0.61 0.00 0.00 39.78 36.52 3hww n ASN 470 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hww n GLY 471 N -1.40 0.00 3.89 7.41 0.00 -1.26 -4.94 105.19 108.89 3hww n GLY 471 Ca -0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 3hww n GLY 471 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hww s TYR 489 N -1.31 3.49 0.10 1.61 2.02 -1.26 -4.77 117.35 117.22 3hww s TYR 489 Ca 0.00 0.85 -0.01 0.00 -0.37 0.00 0.00 57.07 57.54 3hww s TYR 489 Cb 0.00 -2.29 -0.04 0.00 -0.40 0.00 0.00 41.96 39.23 3hww s TYR 489 CO 0.00 -0.03 0.01 -0.51 -1.57 0.00 0.00 175.55 173.44 3hww s LEU 490 N -3.92 2.14 0.33 -1.29 1.43 -1.26 -5.12 118.68 110.99 3hww s LEU 490 Ca 0.48 -1.11 -0.29 0.00 -1.03 0.00 0.00 54.13 52.18 3hww s LEU 490 Cb -0.10 0.21 -0.10 0.00 0.03 0.00 0.00 46.19 46.22 3hww s LEU 490 CO 0.33 -0.65 1.30 0.00 0.23 0.00 0.00 176.35 177.57 3hww s MET 491 N -3.97 4.36 0.57 1.70 0.23 -1.26 -4.93 119.30 115.99 3hww s MET 491 Ca 0.16 2.21 -0.18 0.00 -1.03 0.00 0.00 55.69 56.85 3hww s MET 491 Cb 0.07 -3.08 -0.09 0.00 -1.53 0.00 0.00 34.83 30.21 3hww s MET 491 CO -0.03 -0.18 0.46 -2.30 -2.03 0.00 0.00 175.02 170.94 3hww n PRO 492 N 0.85 0.46 -3.85 3.16 -0.02 -1.26 -5.00 135.00 129.34 3hww n PRO 492 Ca 0.00 0.18 -0.22 0.00 -2.02 0.00 0.00 63.50 61.44 3hww n PRO 492 Cb 0.42 -1.64 -0.05 0.00 -0.02 0.00 0.00 33.50 32.21 3hww n PRO 492 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3hww s GLN 493 N -2.00 2.54 -0.44 -0.52 -2.07 -1.26 -5.09 119.66 110.81 3hww s GLN 493 Ca 0.68 -1.47 -0.12 0.00 -1.82 0.00 0.00 55.36 52.62 3hww s GLN 493 Cb -0.45 -2.33 0.07 0.00 -1.09 0.00 0.00 33.01 29.22 3hww s GLN 493 CO 0.55 0.01 0.32 -0.80 -1.32 0.00 0.00 175.29 174.05 3hww s ASN 494 N -3.98 5.89 0.36 12.60 0.01 -1.26 -5.04 114.94 123.52 3hww s ASN 494 Ca 0.42 -1.35 -0.26 0.00 -0.71 0.00 0.00 52.86 50.95 3hww s ASN 494 Cb -0.03 -2.09 -0.09 0.00 0.41 0.00 0.00 41.25 39.45 3hww s ASN 494 CO 0.25 -0.57 1.13 0.68 -1.51 0.00 0.00 177.10 177.08 3hww s VAL 495 N 1.54 3.36 0.34 1.60 -7.23 -1.26 -5.06 120.40 113.69 3hww s VAL 495 Ca 0.03 1.19 0.03 0.00 -1.81 0.00 0.00 61.98 61.42 3hww s VAL 495 Cb -0.23 -3.69 -0.05 0.00 0.56 0.00 0.00 36.38 32.98 3hww s VAL 495 CO 0.05 0.15 0.09 -1.00 -0.31 0.00 0.00 175.10 174.09 3hww s HIS 496 N -1.38 1.81 -0.53 2.82 3.76 -1.26 -4.96 115.29 115.55 3hww s HIS 496 Ca 0.53 -1.13 0.05 0.00 -0.15 0.00 0.00 55.06 54.36 3hww s HIS 496 Cb -0.30 -1.15 0.09 0.00 1.11 0.00 0.00 32.58 32.33 3hww s HIS 496 CO 0.37 -0.19 0.89 1.19 -0.85 0.00 0.00 174.74 176.16 3hww n PHE 497 N -0.72 0.11 -0.03 1.40 3.01 -1.26 -4.58 117.46 115.39 3hww n PHE 497 Ca -0.03 -0.26 -0.08 0.00 1.01 0.00 0.00 57.45 58.09 3hww n PHE 497 Cb 0.66 -0.02 -0.02 0.00 -0.01 0.00 0.00 39.48 40.09 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 0.96 -0.16 -0.33 -1.08 4.81 -1.98 0.13 114.58 116.93 3hww h GLU 498 Ca 0.00 0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.10 3hww h GLU 498 Cb 0.41 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 3hww h GLU 498 CO 0.00 -0.10 -0.35 0.45 -0.73 0.00 0.00 179.01 178.27 3hww h HIS 499 N -0.16 0.88 -0.22 0.92 3.86 -1.99 -1.87 115.15 116.56 3hww h HIS 499 Ca 0.12 -0.24 0.05 0.00 -1.16 0.00 0.00 60.37 59.13 3hww h HIS 499 Cb 0.33 -0.19 -0.06 0.00 1.06 0.00 0.00 27.41 28.56 3hww h HIS 499 CO -0.30 0.99 -0.13 0.00 0.86 0.00 0.00 177.93 179.35 3hww h ALA 500 N 0.98 0.03 -0.15 2.45 0.00 -1.78 0.34 119.26 121.13 3hww h ALA 500 Ca 0.06 0.08 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3hww h ALA 500 Cb 0.89 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 3hww h ALA 500 CO 0.08 -0.55 -0.04 0.00 0.00 0.00 0.00 179.25 178.74 3hww h ALA 501 N 1.04 0.09 -0.83 0.00 0.00 -0.67 -2.00 119.26 116.89 3hww h ALA 501 Ca 0.12 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.16 3hww h ALA 501 Cb 0.31 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 3hww h ALA 501 CO -0.29 -0.49 0.54 0.00 0.00 0.00 0.00 179.25 179.01 3hww h ALA 502 N 1.14 1.62 0.00 0.00 0.00 -0.41 -0.82 119.26 120.78 3hww h ALA 502 Ca 0.07 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3hww h ALA 502 Cb 0.11 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 3hww h ALA 502 CO -0.15 0.25 -0.14 1.98 0.00 0.00 0.00 179.25 181.18 3hww h MET 503 N 0.89 0.00 -0.30 0.00 -1.53 0.40 -1.56 114.93 112.83 3hww h MET 503 Ca 0.36 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.62 3hww h MET 503 Cb 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.31 3hww h MET 503 CO -0.13 0.14 0.00 1.19 0.14 0.00 0.00 176.91 178.25 3hww n PHE 504 N -3.97 0.69 -3.37 1.39 3.72 -0.41 -4.98 117.46 110.53 3hww n PHE 504 Ca -0.02 -0.68 -0.23 0.00 -0.05 0.00 0.00 57.45 56.47 3hww n PHE 504 Cb 0.23 -0.16 0.06 0.00 -0.94 0.00 0.00 39.48 38.67 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 0.02 -6.77 -4.05 -1.08 1.02 -0.59 -4.83 120.64 104.36 3hww n GLU 505 Ca 0.16 0.85 -0.22 0.00 -0.02 0.00 0.00 57.16 57.92 3hww n GLU 505 Cb 0.65 -5.79 -0.03 0.00 -0.02 0.00 0.00 31.44 26.24 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 -6.98 4.04 0.50 -4.62 1.43 -0.76 -4.99 118.68 107.30 3hww s LEU 506 Ca 0.48 -0.09 -0.18 0.00 -1.03 0.00 0.00 54.13 53.30 3hww s LEU 506 Cb -0.21 -2.58 -0.08 0.00 0.03 0.00 0.00 46.19 43.35 3hww s LEU 506 CO 0.59 -0.03 0.99 -0.54 0.23 0.00 0.00 176.35 177.59 3hww s LYS 507 N -3.78 3.91 -0.06 1.70 1.02 -1.02 -4.43 119.74 117.07 3hww s LYS 507 Ca 0.33 1.10 -0.03 0.00 0.02 0.00 0.00 55.97 57.39 3hww s LYS 507 Cb -0.09 -2.13 0.03 0.00 -0.52 0.00 0.00 37.83 35.13 3hww s LYS 507 CO 0.27 -0.31 0.14 -0.47 -0.92 0.00 0.00 175.35 174.06 3hww s TYR 508 N -2.37 -0.16 -0.00 3.18 5.04 -1.26 -0.39 117.35 121.39 3hww s TYR 508 Ca 0.62 0.46 0.02 0.00 -2.44 0.00 0.00 57.07 55.73 3hww s TYR 508 Cb -0.12 -0.06 -0.00 0.00 0.35 0.00 0.00 41.96 42.13 3hww s TYR 508 CO 0.25 -0.15 -0.06 -1.01 -1.34 0.00 0.00 175.55 173.25 3hww s HIS 509 N 0.95 0.51 -0.77 4.97 3.76 0.15 -4.97 115.29 119.89 3hww s HIS 509 Ca -0.07 -0.11 0.03 0.00 -0.15 0.00 0.00 55.06 54.76 3hww s HIS 509 Cb -0.09 -0.33 0.21 0.00 1.11 0.00 0.00 32.58 33.48 3hww s HIS 509 CO -0.05 -0.01 0.71 -2.13 -0.85 0.00 0.00 174.74 172.41 3hww n ARG 510 N 2.90 2.42 -1.95 1.40 0.63 -1.26 -0.20 116.66 120.60 3hww n ARG 510 Ca -0.13 -4.54 -0.38 0.00 -0.92 0.00 0.00 57.85 51.88 3hww n ARG 510 Cb 0.58 -2.33 0.02 0.00 0.45 0.00 0.00 32.46 31.18 3hww n ARG 510 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 3hww s PRO 511 N -1.81 3.33 -0.00 -0.14 0.04 -1.25 -4.94 135.00 130.23 3hww s PRO 511 Ca 0.30 2.07 0.16 0.00 0.04 0.00 0.00 61.00 63.56 3hww s PRO 511 Cb 0.01 -2.29 -0.18 0.00 0.04 0.00 0.00 34.50 32.08 3hww s PRO 511 CO -0.10 -0.98 0.66 1.04 0.04 0.00 0.00 177.00 177.66 3hww n GLN 512 N -0.88 1.64 -3.76 4.56 1.13 -1.26 -4.78 117.38 114.03 3hww n GLN 512 Ca 0.10 -0.01 -0.06 0.00 -1.94 0.00 0.00 57.00 55.09 3hww n GLN 512 Cb 0.46 -1.26 -0.02 0.00 0.11 0.00 0.00 30.24 29.53 3hww n GLN 512 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3hww s ASN 513 N -2.59 -0.24 0.25 1.08 2.20 -1.26 -5.03 114.94 109.35 3hww s ASN 513 Ca 0.05 -0.44 -0.04 0.00 -0.94 0.00 0.00 52.86 51.49 3hww s ASN 513 Cb 0.12 0.58 0.36 0.00 -2.00 0.00 0.00 41.25 40.31 3hww s ASN 513 CO 0.66 -1.06 1.85 -0.50 -2.94 0.00 0.00 177.10 175.11 3hww h TRP 514 N 2.00 1.02 -0.38 1.54 -0.00 -1.96 -1.37 115.95 116.81 3hww h TRP 514 Ca -0.23 0.03 0.05 0.00 -0.00 0.00 0.00 58.89 58.74 3hww h TRP 514 Cb 1.24 -0.33 -0.04 0.00 -0.00 0.00 0.00 29.16 30.03 3hww h TRP 514 CO 0.39 0.51 0.13 1.96 -0.00 0.00 0.00 178.44 181.43 3hww h GLN 515 N 1.00 0.28 -0.09 0.49 4.20 -1.99 0.20 115.11 119.20 3hww h GLN 515 Ca 0.39 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 59.02 3hww h GLN 515 Cb 0.20 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 3hww h GLN 515 CO -0.18 0.18 -0.24 0.93 -0.67 0.00 0.00 178.83 178.85 3hww h GLU 516 N 0.29 0.15 -0.10 1.46 5.08 -1.70 -1.18 114.58 118.58 3hww h GLU 516 Ca 0.17 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.39 3hww h GLU 516 Cb 0.15 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3hww h GLU 516 CO -0.18 0.39 -0.34 1.25 -1.00 0.00 0.00 179.01 179.13 3hww h LEU 517 N 0.14 0.47 -1.14 1.33 5.85 -0.65 -0.10 115.31 121.21 3hww h LEU 517 Ca 0.02 -0.62 -0.04 0.00 0.84 0.00 0.00 57.88 58.09 3hww h LEU 517 Cb 0.51 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 3hww h LEU 517 CO 0.04 1.01 0.20 -0.33 -0.34 0.00 0.00 178.44 179.01 3hww h GLU 518 N -0.04 0.80 0.22 1.25 5.08 -0.88 -0.88 114.58 120.12 3hww h GLU 518 Ca -0.02 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 3hww h GLU 518 Cb 0.98 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.09 3hww h GLU 518 CO 0.07 0.68 -0.11 1.15 -1.00 0.00 0.00 179.01 179.80 3hww h THR 519 N 0.79 0.85 -0.90 1.13 2.02 -1.17 -2.65 112.91 112.98 3hww h THR 519 Ca 0.18 -0.45 0.14 0.00 0.77 0.00 0.00 66.41 67.05 3hww h THR 519 Cb 0.19 1.12 -0.07 0.00 -1.74 0.00 0.00 68.15 67.65 3hww h THR 519 CO -0.01 0.10 0.58 0.00 0.37 0.00 0.00 175.52 176.56 3hww h ALA 520 N 0.20 1.78 -0.27 6.16 0.00 -0.75 -1.95 119.26 124.42 3hww h ALA 520 Ca -0.03 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 3hww h ALA 520 Cb 0.39 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3hww h ALA 520 CO 0.05 -0.02 0.03 0.74 0.00 0.00 0.00 179.25 180.05 3hww h PHE 521 N 0.74 0.50 0.03 0.00 0.04 -1.05 -1.26 116.94 115.93 3hww h PHE 521 Ca 0.45 -0.07 0.02 0.00 2.80 0.00 0.00 57.97 61.17 3hww h PHE 521 Cb 0.67 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.66 3hww h PHE 521 CO -0.00 0.58 -0.15 0.00 -0.60 0.00 0.00 178.31 178.14 3hww h ALA 522 N 0.85 -0.20 -0.85 2.45 0.00 -1.00 -0.16 119.26 120.36 3hww h ALA 522 Ca 0.08 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.04 3hww h ALA 522 Cb 0.36 0.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.35 3hww h ALA 522 CO 0.01 -0.65 0.53 0.22 0.00 0.00 0.00 179.25 179.36 3hww h ASP 523 N -0.26 0.85 -0.39 0.00 3.58 -1.50 -3.00 116.42 115.70 3hww h ASP 523 Ca 0.04 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.49 3hww h ASP 523 Cb 0.31 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 3hww h ASP 523 CO -0.13 0.56 0.21 0.00 -2.88 0.00 0.00 179.24 177.00 3hww h ALA 524 N 1.38 0.50 0.00 -0.78 0.00 -0.79 -2.79 119.26 116.79 3hww h ALA 524 Ca 0.36 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3hww h ALA 524 Cb 0.12 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3hww h ALA 524 CO -0.15 0.04 0.00 0.91 0.00 0.00 0.00 179.25 180.04 3hww n TRP 525 N -4.73 0.00 -0.02 0.00 5.03 -0.11 -4.07 117.44 113.54 3hww n TRP 525 Ca -0.00 0.00 -0.01 0.00 3.03 0.00 0.00 57.50 60.52 3hww n TRP 525 Cb 0.09 0.00 -0.00 0.00 -1.03 0.00 0.00 31.31 30.37 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 0.00 -6.48 -0.99 0.11 -1.50 -3.47 114.38 102.06 3hww h ARG 526 Ca 0.00 0.00 -0.52 0.00 0.10 0.00 0.00 59.98 59.56 3hww h ARG 526 Cb 0.00 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.07 3hww h ARG 526 CO 0.00 0.00 -0.15 0.95 0.10 0.00 0.00 179.97 180.87 3hww s THR 527 N -1.32 5.04 -1.05 0.08 -4.23 -1.26 -4.94 115.64 107.98 3hww s THR 527 Ca -0.02 -0.01 -0.23 0.00 -1.18 0.00 0.00 61.69 60.26 3hww s THR 527 Cb 0.00 -3.74 0.05 0.00 1.34 0.00 0.00 72.50 70.15 3hww s THR 527 CO 0.03 -0.33 1.49 -2.84 -0.54 0.00 0.00 174.62 172.43 3hww s PRO 528 N -3.60 3.60 0.00 3.99 0.02 -1.26 -4.07 135.00 133.68 3hww s PRO 528 Ca 0.43 -1.19 0.00 0.00 0.02 0.00 0.00 61.00 60.27 3hww s PRO 528 Cb -0.11 -5.37 0.00 0.00 0.02 0.00 0.00 34.50 29.04 3hww s PRO 528 CO 0.30 -2.25 0.00 0.25 -0.33 0.00 0.00 177.00 174.97 3hww n THR 529 N 6.87 0.00 -3.83 0.99 -2.24 -1.26 -4.74 114.28 110.07 3hww n THR 529 Ca 0.35 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.77 3hww n THR 529 Cb 0.50 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.66 3hww n THR 529 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3hww s THR 530 N -2.61 5.38 -0.19 4.28 2.01 -1.25 -2.05 115.64 121.20 3hww s THR 530 Ca 0.00 0.17 -0.02 0.00 0.31 0.00 0.00 61.69 62.15 3hww s THR 530 Cb 0.00 -3.40 -0.00 0.00 0.01 0.00 0.00 72.50 69.11 3hww s THR 530 CO 0.00 0.53 -0.10 -0.89 -0.69 0.00 0.00 174.62 173.46 3hww s THR 531 N -0.29 2.94 -0.21 -0.82 2.01 -0.43 -2.45 115.64 116.38 3hww s THR 531 Ca 0.11 -0.65 -0.26 0.00 0.31 0.00 0.00 61.69 61.20 3hww s THR 531 Cb -0.12 -2.30 -0.01 0.00 0.01 0.00 0.00 72.50 70.09 3hww s THR 531 CO 0.01 0.47 0.86 -0.69 -0.69 0.00 0.00 174.62 174.59 3hww s VAL 532 N 1.24 4.83 -0.31 3.82 1.01 0.48 -0.95 120.40 130.51 3hww s VAL 532 Ca 0.03 1.67 -0.05 0.00 0.00 0.00 0.00 61.98 63.62 3hww s VAL 532 Cb -0.14 -4.16 0.03 0.00 0.00 0.00 0.00 36.38 32.12 3hww s VAL 532 CO -0.04 -0.05 0.06 -0.63 0.00 0.00 0.00 175.10 174.43 3hww s ILE 533 N 2.64 3.57 -0.27 2.22 1.01 0.24 -0.68 121.20 129.94 3hww s ILE 533 Ca 0.38 -1.06 -0.12 0.00 0.00 0.00 0.00 60.65 59.85 3hww s ILE 533 Cb -0.16 -2.96 -0.05 0.00 0.01 0.00 0.00 42.46 39.31 3hww s ILE 533 CO 0.09 -0.06 0.22 -0.70 0.00 0.00 0.00 174.94 174.50 3hww s GLU 534 N 1.39 4.00 -0.41 2.79 2.12 0.72 -0.71 118.70 128.59 3hww s GLU 534 Ca -0.01 -0.22 -0.05 0.00 0.36 0.00 0.00 54.97 55.04 3hww s GLU 534 Cb -0.19 -3.63 0.10 0.00 0.26 0.00 0.00 34.13 30.67 3hww s GLU 534 CO 0.01 -0.14 0.21 1.41 -0.54 0.00 0.00 175.26 176.21 3hww s MET 535 N 1.65 2.24 -0.05 4.30 1.75 -0.47 -3.91 119.30 124.82 3hww s MET 535 Ca 0.09 -1.68 -0.29 0.00 -1.25 0.00 0.00 55.69 52.57 3hww s MET 535 Cb -0.15 -3.63 -0.02 0.00 2.84 0.00 0.00 34.83 33.86 3hww s MET 535 CO 0.09 -1.02 0.94 0.08 -0.65 0.00 0.00 175.02 174.47 3hww s VAL 536 N 1.25 4.87 0.37 10.11 1.01 -1.26 -0.60 120.40 136.14 3hww s VAL 536 Ca 0.05 1.95 0.06 0.00 0.00 0.00 0.00 61.98 64.04 3hww s VAL 536 Cb -0.23 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 31.85 3hww s VAL 536 CO -0.02 0.12 0.23 0.68 0.00 0.00 0.00 175.10 176.11 3hww s VAL 537 N 1.35 0.20 0.59 2.92 -7.23 0.13 -4.91 120.40 113.45 3hww s VAL 537 Ca 0.48 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.55 3hww s VAL 537 Cb -0.19 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 3hww s VAL 537 CO 0.23 0.00 0.98 0.21 -0.31 0.00 0.00 175.10 176.21 3hww s ASN 538 N -3.47 6.20 -0.09 4.85 3.84 -1.26 -4.05 114.94 120.96 3hww s ASN 538 Ca 0.34 1.29 0.10 0.00 0.21 0.00 0.00 52.86 54.79 3hww s ASN 538 Cb 0.02 -2.39 0.43 0.00 -0.55 0.00 0.00 41.25 38.76 3hww s ASN 538 CO 0.23 -0.83 1.24 -0.90 -2.79 0.00 0.00 177.10 174.05 3hww n ASP 539 N -2.65 3.16 0.00 -4.21 5.75 -1.26 -4.41 116.55 112.93 3hww n ASP 539 Ca 0.05 -2.34 0.00 0.00 -0.01 0.00 0.00 54.79 52.49 3hww n ASP 539 Cb 0.54 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 3hww n ASP 539 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 3hww n THR 540 N 0.48 0.00 -0.08 2.12 -2.24 -1.26 -4.91 114.28 108.39 3hww n THR 540 Ca 0.15 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.82 3hww n THR 540 Cb 0.63 0.17 -0.04 0.00 -2.10 0.00 0.00 70.33 69.00 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 0.36 0.89 3.42 5.19 -1.99 -1.70 116.42 122.60 3hww h ASP 541 Ca 0.00 -0.21 -0.04 0.00 -0.62 0.00 0.00 57.03 56.16 3hww h ASP 541 Cb 0.00 -0.09 0.01 0.00 0.18 0.00 0.00 39.33 39.42 3hww h ASP 541 CO 0.00 0.47 -0.43 1.23 -3.12 0.00 0.00 179.24 177.39 3hww h GLY 542 N 0.23 -1.25 -0.16 2.75 0.00 -1.93 0.32 103.07 103.02 3hww h GLY 542 Ca 0.08 0.46 0.09 0.00 0.00 0.00 0.00 47.33 47.96 3hww h GLY 542 CO -0.00 -0.46 -0.28 0.00 0.00 0.00 0.00 176.54 175.81 3hww h ALA 543 N -1.10 -0.03 -0.39 3.60 0.00 -1.91 -0.36 119.26 119.06 3hww h ALA 543 Ca -0.12 0.14 0.06 0.00 0.00 0.00 0.00 54.91 54.99 3hww h ALA 543 Cb 0.92 0.63 -0.05 0.00 0.00 0.00 0.00 17.79 19.29 3hww h ALA 543 CO 0.20 -0.65 0.07 0.37 0.00 0.00 0.00 179.25 179.24 3hww h GLN 544 N -0.18 0.18 -0.59 0.00 5.75 -1.21 -0.73 115.11 118.33 3hww h GLN 544 Ca 0.20 -0.01 -0.03 0.00 -0.15 0.00 0.00 58.65 58.66 3hww h GLN 544 Cb 0.51 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.99 3hww h GLN 544 CO -0.55 0.12 0.25 1.15 -2.65 0.00 0.00 178.83 177.15 3hww h THR 545 N 0.19 1.20 0.10 2.39 2.02 0.64 -1.91 112.91 117.54 3hww h THR 545 Ca 0.19 -0.62 0.01 0.00 0.77 0.00 0.00 66.41 66.76 3hww h THR 545 Cb 0.23 0.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 3hww h THR 545 CO -0.26 0.25 -0.11 0.25 0.37 0.00 0.00 175.52 176.02 3hww h LEU 546 N 0.84 -0.30 -1.29 2.58 5.85 0.12 -1.90 115.31 121.21 3hww h LEU 546 Ca 0.20 0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.96 3hww h LEU 546 Cb 0.14 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.24 3hww h LEU 546 CO -0.02 -0.17 0.47 1.56 -0.34 0.00 0.00 178.44 179.94 3hww h GLN 547 N -0.24 0.95 -0.30 1.25 4.20 -0.77 -1.85 115.11 118.35 3hww h GLN 547 Ca 0.01 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 3hww h GLN 547 Cb 0.24 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 3hww h GLN 547 CO -0.04 0.63 0.01 1.96 -0.67 0.00 0.00 178.83 180.72 3hww h GLN 548 N 0.98 0.52 0.00 1.46 4.20 -1.02 -1.51 115.11 119.73 3hww h GLN 548 Ca 0.26 -0.16 -0.05 0.00 0.06 0.00 0.00 58.65 58.77 3hww h GLN 548 Cb -0.11 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.61 3hww h GLN 548 CO -0.06 0.65 -0.22 -0.07 -0.67 0.00 0.00 178.83 178.47 3hww h LEU 549 N 0.31 0.00 -0.00 1.46 3.38 -1.03 0.07 115.31 119.50 3hww h LEU 549 Ca 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3hww h LEU 549 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3hww h LEU 549 CO 0.01 0.22 -0.02 0.25 0.09 0.00 0.00 178.44 178.99 3hww h LEU 550 N 0.00 0.02 -0.48 1.67 5.85 -0.94 -1.11 115.31 120.31 3hww h LEU 550 Ca -0.00 -0.78 0.06 0.00 0.84 0.00 0.00 57.88 57.99 3hww h LEU 550 Cb 0.48 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.46 3hww h LEU 550 CO 0.03 0.80 0.19 0.00 -0.34 0.00 0.00 178.44 179.12 3hww h ALA 551 N 0.22 0.60 -0.16 1.25 0.00 -1.16 0.52 119.26 120.53 3hww h ALA 551 Ca -0.00 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3hww h ALA 551 Cb 0.80 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 3hww h ALA 551 CO 0.00 -0.19 -0.14 0.37 0.00 0.00 0.00 179.25 179.29 3hww h GLN 552 N 0.38 -0.15 -0.57 0.00 4.15 -1.00 -2.43 115.11 115.50 3hww h GLN 552 Ca 0.23 0.01 -0.10 0.00 0.77 0.00 0.00 58.65 59.56 3hww h GLN 552 Cb 0.21 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 3hww h GLN 552 CO -0.21 -0.10 -0.04 0.28 -1.93 0.00 0.00 178.83 176.83 3hww h VAL 553 N -0.15 1.26 0.00 2.39 2.07 -0.99 -2.58 116.25 118.24 3hww h VAL 553 Ca 0.10 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.45 3hww h VAL 553 Cb 0.30 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 30.93 3hww h VAL 553 CO -0.25 0.42 0.09 -1.20 0.02 0.00 0.00 177.57 176.65 3hww n SER 554 N -4.17 0.00 -0.33 0.57 7.64 0.18 -1.98 113.62 115.53 3hww n SER 554 Ca 0.02 0.40 0.07 0.00 1.01 0.00 0.00 58.87 60.38 3hww n SER 554 Cb 0.36 -0.40 0.14 0.00 -1.01 0.00 0.00 64.21 63.30 3hww n SER 554 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3hww n HIS 555 N -1.40 0.29 -0.15 1.43 -0.00 -0.97 -4.56 115.22 109.85 3hww n HIS 555 Ca 0.00 -0.79 0.00 0.00 -0.00 0.00 0.00 57.72 56.93 3hww n HIS 555 Cb 0.09 -0.15 0.00 0.00 -0.00 0.00 0.00 29.99 29.93 3hww n HIS 555 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.34 176.23