#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hot s PRO 6 N 0.00 2.24 -0.06 5.55 0.04 -1.26 -5.14 135.00 136.37 3hot s PRO 6 Ca 0.00 -2.10 -0.22 0.00 0.04 0.00 0.00 61.00 58.72 3hot s PRO 6 Cb 0.00 -2.02 0.05 0.00 0.04 0.00 0.00 34.50 32.57 3hot s PRO 6 CO 0.00 -0.63 0.50 1.21 0.04 0.00 0.00 177.00 178.11 3hot s ASN 7 N -4.26 -0.44 0.00 6.66 3.84 -1.26 -5.03 114.94 114.45 3hot s ASN 7 Ca 0.29 0.52 0.10 0.00 0.21 0.00 0.00 52.86 53.98 3hot s ASN 7 Cb -0.02 0.55 0.41 0.00 -0.55 0.00 0.00 41.25 41.64 3hot s ASN 7 CO 0.18 -0.46 1.30 0.29 -2.79 0.00 0.00 177.10 175.63 3hot n LYS 8 N 1.43 0.00 -0.10 0.43 4.76 -1.26 0.16 118.16 123.58 3hot n LYS 8 Ca -0.19 0.33 -0.18 0.00 -2.87 0.00 0.00 58.31 55.40 3hot n LYS 8 Cb 0.56 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 32.17 3hot n LYS 8 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 3hot n GLU 9 N -1.49 0.54 -0.27 1.97 2.13 -1.26 -3.82 120.64 118.43 3hot n GLU 9 Ca 0.02 0.46 0.08 0.00 0.66 0.00 0.00 57.16 58.39 3hot n GLU 9 Cb 0.11 -1.65 0.23 0.00 0.27 0.00 0.00 31.44 30.40 3hot n GLU 9 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 3hot h GLN 10 N -1.00 0.35 -0.10 5.31 4.20 -1.72 -0.35 115.11 121.80 3hot h GLN 10 Ca -0.31 -0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.42 3hot h GLN 10 Cb 1.16 -0.08 -0.06 0.00 0.30 0.00 0.00 27.48 28.80 3hot h GLN 10 CO -0.19 0.23 -0.40 1.15 -0.67 0.00 0.00 178.83 178.96 3hot h THR 11 N 0.36 0.18 -0.82 -0.54 2.02 0.13 -0.61 112.91 113.63 3hot h THR 11 Ca 0.47 0.00 0.14 0.00 0.77 0.00 0.00 66.41 67.79 3hot h THR 11 Cb 0.82 0.18 -0.09 0.00 -1.74 0.00 0.00 68.15 67.32 3hot h THR 11 CO -0.49 0.00 0.40 -0.09 0.37 0.00 0.00 175.52 175.71 3hot h ARG 12 N -0.49 0.57 0.31 6.66 1.12 -1.22 -2.41 114.38 118.92 3hot h ARG 12 Ca 0.07 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.91 3hot h ARG 12 Cb 0.61 -0.13 -0.03 0.00 -0.01 0.00 0.00 29.97 30.41 3hot h ARG 12 CO -0.37 0.38 -0.48 1.15 -3.11 0.00 0.00 179.97 177.53 3hot h THR 13 N 0.58 0.06 -0.86 0.20 2.02 -0.08 -2.25 112.91 112.59 3hot h THR 13 Ca 0.45 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.83 3hot h THR 13 Cb 0.63 0.06 -0.16 0.00 -1.74 0.00 0.00 68.15 66.95 3hot h THR 13 CO -0.37 0.00 -0.05 0.58 0.37 0.00 0.00 175.52 176.06 3hot h VAL 14 N -0.85 0.19 0.00 3.16 2.07 -0.68 0.20 116.25 120.34 3hot h VAL 14 Ca -0.03 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.45 3hot h VAL 14 Cb 0.79 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 3hot h VAL 14 CO -0.16 0.01 -0.12 -0.07 0.02 0.00 0.00 177.57 177.25 3hot h LEU 15 N 0.05 0.00 -0.39 2.57 3.38 -1.00 0.50 115.31 120.42 3hot h LEU 15 Ca 0.47 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.39 3hot h LEU 15 Cb 0.85 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 3hot h LEU 15 CO -0.80 0.12 0.03 0.40 0.09 0.00 0.00 178.44 178.28 3hot h ILE 16 N 0.00 1.25 0.48 1.22 2.04 -0.11 -0.72 117.51 121.67 3hot h ILE 16 Ca -0.00 -0.93 -0.02 0.00 1.00 0.00 0.00 64.86 64.90 3hot h ILE 16 Cb 0.27 1.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 3hot h ILE 16 CO 0.02 0.32 -0.23 0.15 0.00 0.00 0.00 178.15 178.40 3hot h PHE 17 N 0.51 -0.60 -0.63 1.37 3.57 -0.61 -1.48 116.94 119.07 3hot h PHE 17 Ca 0.12 -0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.78 3hot h PHE 17 Cb 0.42 0.20 -0.03 0.00 2.79 0.00 0.00 35.95 39.33 3hot h PHE 17 CO 0.03 -0.37 0.77 0.00 -2.23 0.00 0.00 178.31 176.51 3hot h PHE 19 N 0.00 -0.15 0.00 0.00 3.57 -0.97 -3.08 116.94 116.32 3hot h PHE 19 Ca 0.30 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.80 3hot h PHE 19 Cb 1.83 0.05 0.00 0.00 2.79 0.00 0.00 35.95 40.62 3hot h PHE 19 CO 0.00 0.28 0.00 0.72 -2.23 0.00 0.00 178.31 177.08 3hot n HIS 20 N -4.85 0.00 -0.60 0.41 8.25 0.83 0.14 115.22 119.40 3hot n HIS 20 Ca -0.06 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.48 3hot n HIS 20 Cb 0.24 0.00 0.31 0.00 1.12 0.00 0.00 29.99 31.66 3hot n HIS 20 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3hot n LEU 21 N -0.99 4.36 -3.68 2.41 4.32 -0.94 -4.97 117.00 117.51 3hot n LEU 21 Ca 0.02 -2.45 -0.22 0.00 -0.02 0.00 0.00 56.01 53.34 3hot n LEU 21 Cb 0.01 -0.52 0.03 0.00 -1.62 0.00 0.00 43.42 41.32 3hot n LEU 21 CO 0.01 0.79 -0.07 0.29 -1.22 0.00 0.00 177.39 177.19 3hot n LYS 22 N 0.82 -4.15 -5.04 3.23 5.02 0.12 -5.00 118.16 113.16 3hot n LYS 22 Ca 0.23 0.60 -0.32 0.00 -2.02 0.00 0.00 58.31 56.81 3hot n LYS 22 Cb 0.82 -5.05 -0.14 0.00 -0.02 0.00 0.00 35.03 30.63 3hot n LYS 22 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3hot s LYS 23 N -5.90 2.28 0.90 1.97 1.02 -1.16 -5.08 119.74 113.77 3hot s LYS 23 Ca 0.09 -0.83 -0.11 0.00 0.02 0.00 0.00 55.97 55.14 3hot s LYS 23 Cb -0.03 -2.21 0.14 0.00 -0.52 0.00 0.00 37.83 35.21 3hot s LYS 23 CO 0.82 0.59 1.11 0.95 -0.92 0.00 0.00 175.35 177.89 3hot s THR 24 N -0.70 2.53 0.12 2.17 -4.23 -1.26 -4.66 115.64 109.60 3hot s THR 24 Ca 0.11 0.17 -0.26 0.00 -1.18 0.00 0.00 61.69 60.53 3hot s THR 24 Cb -0.10 -2.42 -0.07 0.00 1.34 0.00 0.00 72.50 71.25 3hot s THR 24 CO 0.00 -0.22 1.64 0.00 -0.54 0.00 0.00 174.62 175.50 3hot h ALA 25 N -1.70 -0.39 0.07 3.99 0.00 -1.97 0.52 119.26 119.79 3hot h ALA 25 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3hot h ALA 25 Cb 1.27 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 3hot h ALA 25 CO 0.48 -0.77 -0.14 0.00 0.00 0.00 0.00 179.25 178.82 3hot h ALA 26 N 0.36 -0.75 0.00 0.00 0.00 -1.92 0.24 119.26 117.19 3hot h ALA 26 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hot h ALA 26 Cb 0.49 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3hot h ALA 26 CO -0.19 -0.77 0.02 1.49 0.00 0.00 0.00 179.25 179.79 3hot h GLU 27 N -0.23 0.00 0.07 0.00 4.57 -1.93 0.16 114.58 117.22 3hot h GLU 27 Ca -0.01 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.03 3hot h GLU 27 Cb 0.21 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.82 3hot h GLU 27 CO -0.05 0.00 -0.58 0.77 -1.18 0.00 0.00 179.01 177.97 3hot h SER 28 N 0.00 0.39 -0.49 1.04 0.02 -0.08 -3.27 113.55 111.16 3hot h SER 28 Ca 0.00 -0.88 -0.01 0.00 -0.84 0.00 0.00 61.79 60.06 3hot h SER 28 Cb 0.03 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 3hot h SER 28 CO 0.00 1.24 0.27 -0.74 -1.14 0.00 0.00 176.83 176.46 3hot h HIS 29 N -0.39 0.67 0.00 3.45 -0.00 0.23 -2.65 115.15 116.45 3hot h HIS 29 Ca -0.09 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.26 3hot h HIS 29 Cb 1.39 -0.21 -0.00 0.00 -0.00 0.00 0.00 27.41 28.58 3hot h HIS 29 CO 0.19 0.49 -0.01 0.00 -0.00 0.00 0.00 177.93 178.60 3hot h ARG 30 N 0.65 0.00 0.59 5.26 3.08 -1.52 -1.87 114.38 120.57 3hot h ARG 30 Ca 0.17 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.19 3hot h ARG 30 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 3hot h ARG 30 CO -0.03 0.01 -0.30 0.52 -1.07 0.00 0.00 179.97 179.11 3hot h MET 31 N 0.00 -0.78 -0.75 0.04 2.86 -1.53 -2.68 114.93 112.09 3hot h MET 31 Ca -0.00 0.05 0.13 0.00 -2.06 0.00 0.00 59.70 57.82 3hot h MET 31 Cb 0.54 0.18 -0.14 0.00 0.06 0.00 0.00 31.60 32.24 3hot h MET 31 CO 0.00 -0.52 -0.32 1.25 1.06 0.00 0.00 176.91 178.38 3hot h LEU 32 N -0.81 -1.13 -1.65 1.22 5.85 -1.17 0.16 115.31 117.78 3hot h LEU 32 Ca -0.08 0.25 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 3hot h LEU 32 Cb 0.63 0.60 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 3hot h LEU 32 CO 0.12 -0.29 -0.11 1.62 -0.34 0.00 0.00 178.44 179.45 3hot h VAL 33 N -0.08 1.11 0.02 1.05 3.04 -1.40 0.10 116.25 120.10 3hot h VAL 33 Ca 0.30 -0.51 -0.25 0.00 -1.01 0.00 0.00 66.70 65.23 3hot h VAL 33 Cb 0.57 1.19 -0.03 0.00 -2.01 0.00 0.00 31.29 31.01 3hot h VAL 33 CO -0.80 0.15 -1.31 1.05 -1.01 0.00 0.00 177.57 175.66 3hot h GLU 34 N 0.08 0.04 0.06 4.17 4.11 -0.44 -0.95 114.58 121.65 3hot h GLU 34 Ca 0.02 -0.07 -0.14 0.00 0.07 0.00 0.00 59.36 59.23 3hot h GLU 34 Cb 0.25 0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.54 3hot h GLU 34 CO 0.02 0.86 -0.59 0.00 0.07 0.00 0.00 179.01 179.37 3hot h ALA 35 N 0.91 -0.01 0.00 1.06 0.00 -0.27 -3.40 119.26 117.56 3hot h ALA 35 Ca -0.14 -0.60 -0.25 0.00 0.00 0.00 0.00 54.91 53.93 3hot h ALA 35 Cb 1.89 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.69 3hot h ALA 35 CO 0.12 0.29 -1.93 1.19 0.00 0.00 0.00 179.25 178.93 3hot n PHE 36 N -4.25 0.00 0.00 0.00 3.72 0.28 -4.92 117.46 112.29 3hot n PHE 36 Ca -0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.28 3hot n PHE 36 Cb 0.69 -0.66 0.00 0.00 -0.94 0.00 0.00 39.48 38.57 3hot n PHE 36 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hot n GLY 37 N 2.22 1.70 0.39 1.37 0.00 -0.36 -4.76 105.19 105.75 3hot n GLY 37 Ca -0.23 -2.09 0.21 0.00 0.00 0.00 0.00 46.02 43.91 3hot n GLY 37 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3hot h GLU 38 N 0.00 0.00 -5.81 1.61 4.57 -1.93 -3.36 114.58 109.67 3hot h GLU 38 Ca 0.00 0.00 -0.61 0.00 -1.18 0.00 0.00 59.36 57.57 3hot h GLU 38 Cb 0.00 0.00 -0.12 0.00 -0.16 0.00 0.00 28.75 28.47 3hot h GLU 38 CO 0.00 0.00 1.02 -0.65 -1.18 0.00 0.00 179.01 178.20 3hot s GLN 39 N -4.72 3.37 -0.29 1.92 1.11 -1.26 -4.89 119.66 114.89 3hot s GLN 39 Ca -0.04 -0.94 -0.19 0.00 0.01 0.00 0.00 55.36 54.20 3hot s GLN 39 Cb 0.17 -4.68 0.16 0.00 -1.01 0.00 0.00 33.01 27.65 3hot s GLN 39 CO 0.60 -2.01 1.08 0.54 0.01 0.00 0.00 175.29 175.51 3hot s VAL 40 N 4.52 0.00 0.69 1.09 0.11 -1.26 -4.94 120.40 120.61 3hot s VAL 40 Ca 0.35 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.25 3hot s VAL 40 Cb -0.07 -1.00 -0.12 0.00 -1.53 0.00 0.00 36.38 33.66 3hot s VAL 40 CO 0.02 0.00 -0.79 -2.65 -3.33 0.00 0.00 175.10 168.35 3hot n PRO 41 N 3.09 0.00 -2.44 1.54 -0.02 -1.26 -4.87 135.00 131.04 3hot n PRO 41 Ca -0.16 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 60.98 3hot n PRO 41 Cb 0.57 -0.69 -0.03 0.00 -0.02 0.00 0.00 33.50 33.34 3hot n PRO 41 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3hot s THR 42 N -1.38 3.81 0.25 3.45 2.01 -1.26 -4.89 115.64 117.63 3hot s THR 42 Ca 0.26 1.06 -0.10 0.00 0.31 0.00 0.00 61.69 63.22 3hot s THR 42 Cb -0.04 -3.44 0.36 0.00 0.01 0.00 0.00 72.50 69.39 3hot s THR 42 CO 0.52 -0.30 1.59 1.62 -0.69 0.00 0.00 174.62 177.36 3hot h VAL 43 N 1.32 0.17 -1.01 3.82 3.04 -1.96 0.19 116.25 121.82 3hot h VAL 43 Ca -0.49 -0.00 0.23 0.00 -1.01 0.00 0.00 66.70 65.43 3hot h VAL 43 Cb 1.22 0.17 -0.11 0.00 -2.01 0.00 0.00 31.29 30.56 3hot h VAL 43 CO 0.59 0.00 0.62 0.50 -1.01 0.00 0.00 177.57 178.27 3hot h LYS 44 N 0.00 0.57 0.00 4.17 1.63 -1.99 0.45 116.57 121.40 3hot h LYS 44 Ca 0.40 -0.03 -0.06 0.00 -0.85 0.00 0.00 60.65 60.11 3hot h LYS 44 Cb 0.62 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.11 3hot h LYS 44 CO -0.85 0.38 -0.30 1.15 -3.45 0.00 0.00 179.45 176.38 3hot h THR 45 N 0.59 0.64 0.00 1.00 2.02 -1.02 -1.93 112.91 114.21 3hot h THR 45 Ca 0.59 -1.40 -0.00 0.00 0.77 0.00 0.00 66.41 66.37 3hot h THR 45 Cb 1.17 1.93 0.00 0.00 -1.74 0.00 0.00 68.15 69.52 3hot h THR 45 CO -0.37 0.29 -0.02 0.00 0.37 0.00 0.00 175.52 175.79 3hot h GLU 47 N -0.79 0.48 0.78 0.00 5.08 -0.81 0.13 114.58 119.44 3hot h GLU 47 Ca -0.00 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 3hot h GLU 47 Cb 0.83 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.98 3hot h GLU 47 CO 0.00 0.31 -0.38 -0.09 -1.00 0.00 0.00 179.01 177.86 3hot h ARG 48 N 0.49 -1.01 -0.95 2.33 2.43 -1.33 -2.65 114.38 113.69 3hot h ARG 48 Ca 0.55 0.07 0.06 0.00 -0.81 0.00 0.00 59.98 59.85 3hot h ARG 48 Cb 1.25 0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 30.96 3hot h ARG 48 CO -0.28 -0.66 0.62 -1.49 -1.51 0.00 0.00 179.97 176.65 3hot h TRP 49 N -1.14 1.12 -0.00 2.20 -0.00 -0.89 -2.84 115.95 114.41 3hot h TRP 49 Ca -0.11 0.03 0.03 0.00 -0.00 0.00 0.00 58.89 58.84 3hot h TRP 49 Cb 0.82 -0.37 -0.05 0.00 -0.00 0.00 0.00 29.16 29.57 3hot h TRP 49 CO -0.01 0.58 -0.27 0.74 -0.00 0.00 0.00 178.44 179.49 3hot h PHE 50 N 1.10 -0.73 -0.85 0.49 -1.00 -0.57 -0.48 116.94 114.89 3hot h PHE 50 Ca 0.41 0.02 0.21 0.00 2.81 0.00 0.00 57.97 61.42 3hot h PHE 50 Cb 0.18 0.33 -0.13 0.00 3.61 0.00 0.00 35.95 39.94 3hot h PHE 50 CO -0.00 -0.36 0.26 1.96 -1.61 0.00 0.00 178.31 178.56 3hot h GLN 51 N -0.41 0.27 -0.02 1.51 4.20 -1.23 0.23 115.11 119.66 3hot h GLN 51 Ca 0.06 -0.02 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 3hot h GLN 51 Cb 0.50 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 3hot h GLN 51 CO -0.24 0.18 -0.28 0.00 -0.67 0.00 0.00 178.83 177.82 3hot h ARG 52 N 0.28 0.03 -0.14 1.46 3.08 -1.16 -2.83 114.38 115.10 3hot h ARG 52 Ca 0.52 -0.01 -0.15 0.00 0.07 0.00 0.00 59.98 60.41 3hot h ARG 52 Cb 0.99 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.03 3hot h ARG 52 CO -0.58 0.31 -0.56 0.74 -1.07 0.00 0.00 179.97 178.81 3hot h PHE 53 N 0.03 0.55 0.00 3.04 0.04 0.95 -1.61 116.94 119.93 3hot h PHE 53 Ca 0.00 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 60.58 3hot h PHE 53 Cb 0.51 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.56 3hot h PHE 53 CO 0.00 0.89 0.00 1.63 -0.60 0.00 0.00 178.31 180.23 3hot n LYS 54 N -3.94 0.14 0.07 1.51 5.02 -0.79 0.18 118.16 120.34 3hot n LYS 54 Ca -0.03 0.33 -0.19 0.00 -2.02 0.00 0.00 58.31 56.41 3hot n LYS 54 Cb 0.60 -1.74 -0.14 0.00 -0.02 0.00 0.00 35.03 33.72 3hot n LYS 54 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 3hot h SER 55 N 0.00 0.47 -0.66 4.39 0.02 -1.51 -3.51 113.55 112.74 3hot h SER 55 Ca 0.00 -0.67 0.00 0.00 -0.84 0.00 0.00 61.79 60.28 3hot h SER 55 Cb 0.38 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.76 3hot h SER 55 CO 0.00 1.56 0.00 0.61 -1.14 0.00 0.00 176.83 177.86 3hot n GLY 56 N 1.73 0.81 0.00 -3.77 0.00 0.13 -5.14 105.19 98.95 3hot n GLY 56 Ca -0.19 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.54 3hot n GLY 56 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hot n ASP 57 N -0.07 0.00 -4.23 1.61 5.68 -1.26 -4.93 116.55 113.35 3hot n ASP 57 Ca 0.00 0.00 -0.41 0.00 -0.50 0.00 0.00 54.79 53.88 3hot n ASP 57 Cb 0.00 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 39.90 3hot n ASP 57 CO 0.00 0.00 0.00 -0.36 -1.33 0.00 0.00 177.20 175.51 3hot s PHE 58 N -2.00 3.40 -1.21 2.11 0.08 -1.26 -4.96 117.98 114.14 3hot s PHE 58 Ca 0.00 -1.77 -0.16 0.00 0.12 0.00 0.00 56.93 55.12 3hot s PHE 58 Cb 0.00 -3.49 -0.04 0.00 -0.57 0.00 0.00 43.02 38.92 3hot s PHE 58 CO 0.00 -0.98 2.17 -0.25 -0.10 0.00 0.00 175.22 176.06 3hot n ASP 59 N 4.95 3.79 -0.30 1.36 9.92 -1.26 -4.73 116.55 130.28 3hot n ASP 59 Ca -0.09 -2.74 0.10 0.00 -0.53 0.00 0.00 54.79 51.53 3hot n ASP 59 Cb 0.41 -1.44 0.27 0.00 -0.64 0.00 0.00 41.12 39.72 3hot n ASP 59 CO 0.00 0.00 0.00 -0.37 0.13 0.00 0.00 177.20 176.96 3hot h VAL 60 N 4.07 0.59 -2.66 2.53 -1.51 -2.03 -3.42 116.25 113.82 3hot h VAL 60 Ca 0.54 -0.17 -0.50 0.00 -1.23 0.00 0.00 66.70 65.34 3hot h VAL 60 Cb 0.60 0.05 -0.14 0.00 -2.13 0.00 0.00 31.29 29.67 3hot h VAL 60 CO 1.89 0.09 -0.73 -1.81 -1.23 0.00 0.00 177.57 175.78 3hot s ASP 61 N -5.29 2.88 0.57 4.19 1.11 -1.26 -5.13 116.67 113.73 3hot s ASP 61 Ca -0.12 -1.05 -0.19 0.00 0.18 0.00 0.00 52.55 51.37 3hot s ASP 61 Cb 0.23 -0.19 -0.04 0.00 1.07 0.00 0.00 42.92 43.99 3hot s ASP 61 CO 0.78 -0.14 1.19 -1.81 1.18 0.00 0.00 175.17 176.37 3hot s ASP 62 N -3.39 5.39 0.58 0.27 1.01 -1.26 -5.03 116.67 114.24 3hot s ASP 62 Ca 0.25 2.35 -0.18 0.00 0.71 0.00 0.00 52.55 55.68 3hot s ASP 62 Cb -0.01 -2.60 -0.04 0.00 1.01 0.00 0.00 42.92 41.28 3hot s ASP 62 CO 0.10 -1.45 1.13 -0.75 0.21 0.00 0.00 175.17 174.40 3hot s LYS 63 N -3.25 3.17 -0.11 8.23 2.20 -1.26 -4.89 119.74 123.83 3hot s LYS 63 Ca 0.75 1.56 -0.40 0.00 -0.36 0.00 0.00 55.97 57.53 3hot s LYS 63 Cb -0.29 -1.98 -0.17 0.00 -1.51 0.00 0.00 37.83 33.87 3hot s LYS 63 CO 0.32 -0.99 1.45 -1.91 -0.36 0.00 0.00 175.35 173.86 3hot n GLU 64 N -1.64 0.82 -0.05 4.03 2.13 -1.26 -4.93 120.64 119.73 3hot n GLU 64 Ca 0.11 0.30 -0.04 0.00 0.66 0.00 0.00 57.16 58.20 3hot n GLU 64 Cb 0.51 -1.91 0.03 0.00 0.27 0.00 0.00 31.44 30.34 3hot n GLU 64 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 3hot n HIS 65 N 3.40 -2.42 -2.23 4.31 8.25 -1.26 -5.01 115.22 120.27 3hot n HIS 65 Ca 0.23 -0.10 -0.33 0.00 -0.26 0.00 0.00 57.72 57.26 3hot n HIS 65 Cb 0.12 -0.14 -0.01 0.00 1.12 0.00 0.00 29.99 31.08 3hot n HIS 65 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3hot s GLY 66 N -2.27 2.14 -0.05 -1.41 0.00 -1.26 -5.07 107.32 99.40 3hot s GLY 66 Ca 0.08 0.33 -0.21 0.00 0.00 0.00 0.00 44.72 44.92 3hot s GLY 66 CO 0.06 0.63 0.46 -1.59 0.00 0.00 0.00 173.10 172.67 3hot s LYS 67 N -3.99 0.80 0.52 2.90 -2.85 -1.26 -5.16 119.74 110.70 3hot s LYS 67 Ca 0.62 0.08 -0.20 0.00 -1.00 0.00 0.00 55.97 55.47 3hot s LYS 67 Cb -0.14 0.37 -0.09 0.00 -2.06 0.00 0.00 37.83 35.91 3hot s LYS 67 CO 0.33 -0.22 0.77 -2.30 0.10 0.00 0.00 175.35 174.03 3hot n PRO 68 N 1.34 0.84 -2.97 1.78 -0.02 -1.26 -4.97 135.00 129.75 3hot n PRO 68 Ca -0.20 0.32 -0.36 0.00 -2.02 0.00 0.00 63.50 61.23 3hot n PRO 68 Cb 0.56 -1.89 -0.06 0.00 -0.02 0.00 0.00 33.50 32.09 3hot n PRO 68 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3hot s PRO 69 N -2.18 4.39 0.42 0.52 0.05 -1.26 -5.00 135.00 131.94 3hot s PRO 69 Ca 0.68 1.06 -0.26 0.00 0.05 0.00 0.00 61.00 62.53 3hot s PRO 69 Cb -0.49 -2.84 -0.09 0.00 0.05 0.00 0.00 34.50 31.13 3hot s PRO 69 CO 0.53 0.34 1.45 0.15 0.05 0.00 0.00 177.00 179.52 3hot s LYS 70 N -2.03 3.84 0.12 4.56 1.02 -1.26 -4.92 119.74 121.07 3hot s LYS 70 Ca 0.46 2.47 0.13 0.00 0.02 0.00 0.00 55.97 59.05 3hot s LYS 70 Cb -0.17 -2.77 -0.11 0.00 -0.52 0.00 0.00 37.83 34.26 3hot s LYS 70 CO 0.22 -0.72 1.11 0.00 -0.92 0.00 0.00 175.35 175.04 3hot h ARG 71 N 2.57 0.00 -2.99 1.68 3.08 -1.98 -3.43 114.38 113.30 3hot h ARG 71 Ca -0.51 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.34 3hot h ARG 71 Cb 1.26 0.00 -0.31 0.00 0.08 0.00 0.00 29.97 31.00 3hot h ARG 71 CO 0.62 0.58 -0.51 1.52 -1.07 0.00 0.00 179.97 181.12 3hot s TYR 72 N -2.82 -0.34 0.71 3.04 -0.85 -1.26 -5.10 117.35 110.73 3hot s TYR 72 Ca -0.00 0.82 -0.05 0.00 -0.52 0.00 0.00 57.07 57.32 3hot s TYR 72 Cb 0.09 0.01 0.08 0.00 0.38 0.00 0.00 41.96 42.52 3hot s TYR 72 CO 0.80 -0.26 1.00 -1.83 -1.52 0.00 0.00 175.55 173.73 3hot s GLU 73 N 1.60 1.98 0.03 -3.49 4.04 -1.26 -4.99 118.70 116.61 3hot s GLU 73 Ca -0.06 -0.54 -0.10 0.00 0.04 0.00 0.00 54.97 54.31 3hot s GLU 73 Cb -0.11 -2.22 -0.05 0.00 0.02 0.00 0.00 34.13 31.77 3hot s GLU 73 CO -0.08 -1.32 1.16 -0.44 -1.84 0.00 0.00 175.26 172.74 3hot h ASP 74 N -0.58 -0.43 0.00 0.83 5.19 -2.01 -2.53 116.42 116.89 3hot h ASP 74 Ca -0.42 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.03 3hot h ASP 74 Cb 1.29 0.15 0.00 0.00 0.18 0.00 0.00 39.33 40.95 3hot h ASP 74 CO 0.52 -0.18 0.67 0.00 -3.12 0.00 0.00 179.24 177.14 3hot h ALA 75 N -1.40 1.49 0.01 3.45 0.00 -1.98 0.14 119.26 120.97 3hot h ALA 75 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3hot h ALA 75 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3hot h ALA 75 CO -0.05 -0.49 -0.06 1.49 0.00 0.00 0.00 179.25 180.14 3hot h GLU 76 N 0.00 0.02 -0.34 0.00 4.81 -1.84 -3.05 114.58 114.18 3hot h GLU 76 Ca 0.00 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.06 3hot h GLU 76 Cb 1.35 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.73 3hot h GLU 76 CO 0.00 0.99 -0.32 1.25 -0.73 0.00 0.00 179.01 180.20 3hot h LEU 77 N -0.93 0.79 -1.08 1.64 7.12 -0.82 -2.69 115.31 119.34 3hot h LEU 77 Ca -0.01 -0.32 0.11 0.00 0.13 0.00 0.00 57.88 57.79 3hot h LEU 77 Cb 1.02 -0.22 -0.08 0.00 -0.53 0.00 0.00 40.66 40.85 3hot h LEU 77 CO 0.01 1.04 0.62 -0.61 -0.13 0.00 0.00 178.44 179.37 3hot h GLN 78 N 0.64 0.93 0.00 1.25 -0.00 -1.57 0.01 115.11 116.37 3hot h GLN 78 Ca 0.07 -0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.66 3hot h GLN 78 Cb 0.85 -0.21 0.00 0.00 0.00 0.00 0.00 27.48 28.12 3hot h GLN 78 CO 0.07 0.62 0.00 0.00 0.00 0.00 0.00 178.83 179.52 3hot h ALA 79 N 1.54 1.00 0.13 3.38 0.00 -1.36 -2.59 119.26 121.37 3hot h ALA 79 Ca 0.47 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 55.09 3hot h ALA 79 Cb 0.47 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.28 3hot h ALA 79 CO -0.23 0.00 -1.25 -0.07 0.00 0.00 0.00 179.25 177.70 3hot h LEU 80 N 0.00 0.67 -0.81 0.00 4.07 -0.93 -2.84 115.31 115.47 3hot h LEU 80 Ca 0.00 -0.66 -0.12 0.00 0.08 0.00 0.00 57.88 57.18 3hot h LEU 80 Cb 0.41 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 3hot h LEU 80 CO 0.00 1.49 -0.51 -0.07 -1.08 0.00 0.00 178.44 178.27 3hot h LEU 81 N 0.18 0.23 -1.36 1.67 3.38 -1.40 -2.24 115.31 115.76 3hot h LEU 81 Ca -0.17 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 3hot h LEU 81 Cb 1.93 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.60 3hot h LEU 81 CO 0.22 0.70 0.07 0.44 0.09 0.00 0.00 178.44 179.97 3hot h ASP 82 N 0.17 0.46 0.00 -0.43 3.32 -1.48 -1.21 116.42 117.26 3hot h ASP 82 Ca 0.01 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3hot h ASP 82 Cb 0.96 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.39 3hot h ASP 82 CO 0.08 0.48 0.00 -0.62 -1.72 0.00 0.00 179.24 177.45 3hot n GLU 83 N -4.34 0.00 -3.96 3.56 1.02 -1.02 -4.74 120.64 111.16 3hot n GLU 83 Ca 0.02 0.24 -0.30 0.00 -0.02 0.00 0.00 57.16 57.09 3hot n GLU 83 Cb 0.19 -1.21 -0.16 0.00 -0.02 0.00 0.00 31.44 30.24 3hot n GLU 83 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3hot s ASP 84 N -2.00 3.47 0.28 1.62 2.15 -0.88 -5.04 116.67 116.28 3hot s ASP 84 Ca 0.00 -0.95 -0.08 0.00 0.43 0.00 0.00 52.55 51.95 3hot s ASP 84 Cb 0.00 -1.17 0.47 0.00 -0.30 0.00 0.00 42.92 41.91 3hot s ASP 84 CO 0.00 -0.18 1.54 -0.67 -0.17 0.00 0.00 175.17 175.70 3hot n ASP 85 N 4.70 -0.35 -3.86 -0.34 4.64 -0.47 -4.04 116.55 116.84 3hot n ASP 85 Ca -0.13 1.70 -0.29 0.00 -1.38 0.00 0.00 54.79 54.69 3hot n ASP 85 Cb 0.46 -0.52 -0.12 0.00 -1.04 0.00 0.00 41.12 39.90 3hot n ASP 85 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3hot s ALA 86 N -6.24 3.43 0.33 -1.67 0.00 -1.26 -4.87 121.76 111.48 3hot s ALA 86 Ca -0.15 -3.54 0.08 0.00 0.00 0.00 0.00 51.96 48.35 3hot s ALA 86 Cb 0.27 -2.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.24 3hot s ALA 86 CO 0.77 -2.07 0.20 -0.65 0.00 0.00 0.00 175.76 174.01 3hot s GLN 87 N -0.98 2.55 0.22 0.00 -0.21 -1.26 -5.13 119.66 114.86 3hot s GLN 87 Ca 0.23 -1.40 -0.01 0.00 0.02 0.00 0.00 55.36 54.20 3hot s GLN 87 Cb -0.10 -2.33 -0.04 0.00 1.00 0.00 0.00 33.01 31.54 3hot s GLN 87 CO -0.12 0.14 0.43 0.95 -2.12 0.00 0.00 175.29 174.57 3hot s THR 88 N -2.35 5.17 0.18 -0.19 -4.23 -1.26 -4.91 115.64 108.05 3hot s THR 88 Ca 0.38 -0.31 -0.16 0.00 -1.18 0.00 0.00 61.69 60.43 3hot s THR 88 Cb -0.04 -3.74 0.12 0.00 1.34 0.00 0.00 72.50 70.18 3hot s THR 88 CO 0.24 -0.22 1.67 1.56 -0.54 0.00 0.00 174.62 177.33 3hot h GLN 89 N 1.87 0.03 -0.11 3.99 4.20 -1.99 0.38 115.11 123.47 3hot h GLN 89 Ca -0.48 -0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.26 3hot h GLN 89 Cb 1.19 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.96 3hot h GLN 89 CO 0.67 0.02 0.73 -0.22 -0.67 0.00 0.00 178.83 179.36 3hot h LYS 90 N 0.03 0.00 0.00 1.46 3.64 -1.94 0.25 116.57 120.00 3hot h LYS 90 Ca 0.22 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.43 3hot h LYS 90 Cb 0.34 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 3hot h LYS 90 CO -0.45 0.00 -1.64 0.94 -2.27 0.00 0.00 179.45 176.03 3hot n GLN 91 N -2.78 1.72 0.16 1.90 7.27 0.12 -3.20 117.38 122.57 3hot n GLN 91 Ca 0.02 0.02 0.03 0.00 0.07 0.00 0.00 57.00 57.14 3hot n GLN 91 Cb 0.79 -1.23 0.20 0.00 2.41 0.00 0.00 30.24 32.40 3hot n GLN 91 CO 0.00 0.00 0.00 -0.07 0.07 0.00 0.00 177.06 177.06 3hot h LEU 92 N 0.00 0.00 0.13 1.69 4.07 -0.88 -3.24 115.31 117.09 3hot h LEU 92 Ca -0.25 0.00 0.02 0.00 0.08 0.00 0.00 57.88 57.72 3hot h LEU 92 Cb 1.51 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 43.20 3hot h LEU 92 CO -0.01 0.48 -0.45 0.00 -1.08 0.00 0.00 178.44 177.39 3hot h ALA 93 N 1.52 -0.81 -0.86 1.53 0.00 -1.06 -1.84 119.26 117.73 3hot h ALA 93 Ca -0.00 -0.09 0.09 0.00 0.00 0.00 0.00 54.91 54.91 3hot h ALA 93 Cb 1.12 0.75 -0.07 0.00 0.00 0.00 0.00 17.79 19.58 3hot h ALA 93 CO 0.06 -1.02 0.51 0.93 0.00 0.00 0.00 179.25 179.73 3hot h GLU 94 N -0.69 0.83 0.00 0.00 5.08 -1.57 0.73 114.58 118.95 3hot h GLU 94 Ca 0.01 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3hot h GLU 94 Cb 0.71 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.77 3hot h GLU 94 CO -0.25 0.55 0.00 1.04 -1.00 0.00 0.00 179.01 179.35 3hot n GLN 95 N -4.71 0.19 -0.15 2.33 6.02 -1.02 -3.16 117.38 116.89 3hot n GLN 95 Ca 0.14 0.46 0.05 0.00 -0.01 0.00 0.00 57.00 57.65 3hot n GLN 95 Cb 0.28 -1.90 0.12 0.00 1.02 0.00 0.00 30.24 29.76 3hot n GLN 95 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3hot n LEU 96 N -2.26 2.69 0.00 1.08 4.32 0.21 -4.97 117.00 118.08 3hot n LEU 96 Ca 0.01 -2.35 0.00 0.00 -0.02 0.00 0.00 56.01 53.66 3hot n LEU 96 Cb 0.20 -0.24 0.00 0.00 -1.62 0.00 0.00 43.42 41.76 3hot n LEU 96 CO 0.18 0.64 0.00 -0.62 -1.22 0.00 0.00 177.39 176.37 3hot n GLU 97 N -0.31 0.00 -3.47 3.23 -0.58 -0.97 -4.88 120.64 113.66 3hot n GLU 97 Ca 0.10 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.65 3hot n GLU 97 Cb 0.48 -3.20 -0.01 0.00 -0.57 0.00 0.00 31.44 28.15 3hot n GLU 97 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3hot s VAL 98 N -1.51 4.00 1.06 2.62 0.11 -1.18 -5.00 120.40 120.50 3hot s VAL 98 Ca 0.00 -1.02 -0.18 0.00 -2.93 0.00 0.00 61.98 57.85 3hot s VAL 98 Cb 0.00 -3.38 0.26 0.00 -1.53 0.00 0.00 36.38 31.73 3hot s VAL 98 CO 0.00 -0.15 1.06 -1.54 -3.33 0.00 0.00 175.10 171.13 3hot n SER 99 N -1.63 -1.41 0.01 3.54 3.41 -1.26 -4.39 113.62 111.88 3hot n SER 99 Ca 0.00 -1.20 -0.07 0.00 -0.26 0.00 0.00 58.87 57.34 3hot n SER 99 Cb 0.58 -0.92 -0.05 0.00 -0.26 0.00 0.00 64.21 63.56 3hot n SER 99 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3hot h GLN 100 N 0.00 -0.14 -0.98 4.33 -0.00 -1.93 -3.01 115.11 113.38 3hot h GLN 100 Ca -0.38 0.01 0.22 0.00 -0.00 0.00 0.00 58.65 58.50 3hot h GLN 100 Cb 1.12 0.03 -0.08 0.00 0.00 0.00 0.00 27.48 28.55 3hot h GLN 100 CO 0.25 0.18 0.63 1.96 0.00 0.00 0.00 178.83 181.86 3hot h GLN 101 N -0.99 0.46 -0.76 1.69 7.50 -1.96 1.15 115.11 122.20 3hot h GLN 101 Ca -0.01 -0.03 0.08 0.00 0.50 0.00 0.00 58.65 59.19 3hot h GLN 101 Cb 0.39 -0.10 -0.07 0.00 0.05 0.00 0.00 27.48 27.74 3hot h GLN 101 CO 0.02 0.31 0.42 0.00 -1.50 0.00 0.00 178.83 178.08 3hot h ALA 102 N 1.62 1.07 -0.04 3.87 0.00 -1.94 -2.40 119.26 121.43 3hot h ALA 102 Ca 0.54 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 55.31 3hot h ALA 102 Cb 1.24 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.93 3hot h ALA 102 CO -0.26 0.06 -0.64 0.28 0.00 0.00 0.00 179.25 178.68 3hot h VAL 103 N 0.73 1.38 -0.76 0.00 2.07 0.14 -3.20 116.25 116.61 3hot h VAL 103 Ca 0.36 -2.01 0.09 0.00 0.82 0.00 0.00 66.70 65.96 3hot h VAL 103 Cb 0.32 2.39 -0.11 0.00 -1.52 0.00 0.00 31.29 32.37 3hot h VAL 103 CO -0.24 0.60 -0.52 -1.28 0.02 0.00 0.00 177.57 176.16 3hot h SER 104 N 0.08 -1.83 -0.50 0.57 0.87 -0.84 -1.98 113.55 109.93 3hot h SER 104 Ca -0.07 0.29 0.10 0.00 -1.23 0.00 0.00 61.79 60.88 3hot h SER 104 Cb 1.32 0.82 -0.10 0.00 -0.44 0.00 0.00 62.40 64.00 3hot h SER 104 CO 0.13 -0.31 -0.15 0.78 -0.53 0.00 0.00 176.83 176.76 3hot h ASN 105 N -0.15 -0.54 0.31 6.23 2.35 -1.47 0.38 115.58 122.68 3hot h ASN 105 Ca 0.17 0.16 -0.14 0.00 -0.55 0.00 0.00 56.30 55.94 3hot h ASN 105 Cb 0.52 0.34 -0.01 0.00 0.05 0.00 0.00 38.32 39.21 3hot h ASN 105 CO -0.80 -0.19 -0.56 -0.09 -1.65 0.00 0.00 177.43 174.14 3hot h ARG 106 N -0.03 0.27 -0.35 0.81 2.43 -1.44 0.57 114.38 116.64 3hot h ARG 106 Ca 0.24 -0.17 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 3hot h ARG 106 Cb 0.40 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.95 3hot h ARG 106 CO -0.53 0.76 0.22 -0.07 -1.51 0.00 0.00 179.97 178.84 3hot h LEU 107 N 0.21 0.41 -0.47 3.80 3.38 -0.66 0.94 115.31 122.92 3hot h LEU 107 Ca 0.00 -0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.96 3hot h LEU 107 Cb 1.05 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 3hot h LEU 107 CO 0.09 0.33 0.27 -0.09 0.09 0.00 0.00 178.44 179.13 3hot h ARG 108 N 0.46 0.53 -0.01 1.13 2.43 -0.44 -2.98 114.38 115.50 3hot h ARG 108 Ca 0.13 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 3hot h ARG 108 Cb -0.01 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 3hot h ARG 108 CO -0.02 0.35 -0.05 1.49 -1.51 0.00 0.00 179.97 180.22 3hot h GLU 109 N 0.54 -0.09 -7.20 0.20 4.22 0.12 -3.42 114.58 108.95 3hot h GLU 109 Ca 0.19 0.01 -0.41 0.00 0.08 0.00 0.00 59.36 59.23 3hot h GLU 109 Cb 0.04 0.02 0.20 0.00 0.50 0.00 0.00 28.75 29.51 3hot h GLU 109 CO -0.10 -0.06 0.02 -1.64 -2.18 0.00 0.00 179.01 175.05 3hot s MET 110 N -6.18 -1.64 0.00 1.92 -1.94 0.32 -4.89 119.30 106.89 3hot s MET 110 Ca -0.14 0.27 0.13 0.00 -1.71 0.00 0.00 55.69 54.25 3hot s MET 110 Cb 0.07 -1.52 0.79 0.00 2.01 0.00 0.00 34.83 36.19 3hot s MET 110 CO 0.66 -4.06 1.27 0.41 -0.01 0.00 0.00 175.02 173.30 3hot n GLY 111 N 0.30 -0.65 3.83 -0.03 0.00 -1.26 -4.86 105.19 102.52 3hot n GLY 111 Ca 0.09 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 3hot n GLY 111 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hot s LYS 112 N -2.00 3.86 0.02 1.61 -0.14 -1.17 -5.07 119.74 116.85 3hot s LYS 112 Ca 0.20 1.06 -0.24 0.00 -1.36 0.00 0.00 55.97 55.63 3hot s LYS 112 Cb 0.09 -2.12 0.06 0.00 -1.68 0.00 0.00 37.83 34.18 3hot s LYS 112 CO 0.15 -0.35 0.55 0.96 -0.76 0.00 0.00 175.35 175.90 3hot s ILE 113 N -2.48 0.02 -0.11 2.17 -4.36 -1.26 -4.56 121.20 110.62 3hot s ILE 113 Ca 0.61 -0.18 -0.10 0.00 -0.26 0.00 0.00 60.65 60.72 3hot s ILE 113 Cb -0.11 -0.96 -0.05 0.00 1.25 0.00 0.00 42.46 42.59 3hot s ILE 113 CO 0.29 -0.10 0.23 0.00 0.24 0.00 0.00 174.94 175.60 3hot s GLN 114 N -2.11 3.79 0.01 0.37 -2.07 -1.26 -5.09 119.66 113.30 3hot s GLN 114 Ca -0.07 0.02 0.03 0.00 -1.82 0.00 0.00 55.36 53.52 3hot s GLN 114 Cb -0.01 -3.27 -0.01 0.00 -1.09 0.00 0.00 33.01 28.63 3hot s GLN 114 CO 0.01 0.60 -0.09 -1.59 -1.32 0.00 0.00 175.29 172.91 3hot s LYS 115 N -0.60 0.66 -0.11 9.60 -2.85 -1.26 -5.12 119.74 120.06 3hot s LYS 115 Ca 0.16 -0.42 -0.30 0.00 -1.00 0.00 0.00 55.97 54.41 3hot s LYS 115 Cb -0.13 -0.61 -0.03 0.00 -2.06 0.00 0.00 37.83 35.00 3hot s LYS 115 CO 0.05 0.16 1.32 0.14 0.10 0.00 0.00 175.35 177.12 3hot s VAL 116 N -0.47 4.12 0.88 1.79 -7.23 -1.26 -4.99 120.40 113.23 3hot s VAL 116 Ca 0.01 1.39 -0.11 0.00 -1.81 0.00 0.00 61.98 61.45 3hot s VAL 116 Cb -0.05 -3.89 0.12 0.00 0.56 0.00 0.00 36.38 33.11 3hot s VAL 116 CO 0.00 -0.08 1.09 -0.83 -0.31 0.00 0.00 175.10 174.97 3hot s GLY 117 N 2.05 1.63 0.45 2.32 0.00 -1.26 -5.01 107.32 107.50 3hot s GLY 117 Ca 0.58 0.05 -0.21 0.00 0.00 0.00 0.00 44.72 45.15 3hot s GLY 117 CO 0.19 0.51 0.97 0.50 0.00 0.00 0.00 173.10 175.27 3hot s ARG 118 N -4.89 4.14 0.16 2.90 0.52 -1.26 -5.05 118.95 115.46 3hot s ARG 118 Ca 0.63 1.15 -0.26 0.00 -0.52 0.00 0.00 55.73 56.73 3hot s ARG 118 Cb -0.18 -2.16 -0.08 0.00 0.52 0.00 0.00 34.95 33.05 3hot s ARG 118 CO 0.57 -0.12 0.79 -1.58 0.02 0.00 0.00 175.30 174.99 3hot s TRP 119 N -2.18 3.89 0.09 -0.53 0.23 -1.26 -5.08 118.94 114.10 3hot s TRP 119 Ca 0.63 1.64 0.06 0.00 -2.03 0.00 0.00 56.10 56.40 3hot s TRP 119 Cb -0.10 -2.80 -0.04 0.00 0.03 0.00 0.00 33.47 30.56 3hot s TRP 119 CO 0.15 0.48 -0.09 0.08 0.96 0.00 0.00 176.95 178.53 3hot s VAL 120 N -0.99 3.45 0.25 4.03 1.01 -1.26 -5.05 120.40 121.84 3hot s VAL 120 Ca 0.37 -1.17 -0.03 0.00 0.00 0.00 0.00 61.98 61.15 3hot s VAL 120 Cb -0.23 -2.59 0.24 0.00 0.00 0.00 0.00 36.38 33.79 3hot s VAL 120 CO 0.26 0.16 1.71 -0.65 0.00 0.00 0.00 175.10 176.58 3hot h PRO 121 N 3.76 0.36 -1.64 2.72 0.11 -1.98 -3.46 132.00 131.87 3hot h PRO 121 Ca -0.49 -0.02 0.19 0.00 0.11 0.00 0.00 66.00 65.79 3hot h PRO 121 Cb 1.17 -0.08 -0.19 0.00 0.11 0.00 0.00 31.00 32.00 3hot h PRO 121 CO 0.53 0.24 0.71 -1.58 -0.21 0.00 0.00 178.00 177.69 3hot s HIS 122 N -6.00 -0.21 -0.52 0.65 5.65 -1.26 -5.12 115.29 108.49 3hot s HIS 122 Ca -0.12 0.20 -0.28 0.00 0.25 0.00 0.00 55.06 55.10 3hot s HIS 122 Cb 0.22 0.51 0.01 0.00 -1.18 0.00 0.00 32.58 32.14 3hot s HIS 122 CO 0.76 -0.29 1.43 -1.21 -0.65 0.00 0.00 174.74 174.78 3hot s GLU 123 N -2.24 3.36 0.45 2.88 0.41 -1.26 -5.00 118.70 117.30 3hot s GLU 123 Ca 0.07 0.61 -0.20 0.00 -0.41 0.00 0.00 54.97 55.03 3hot s GLU 123 Cb -0.01 -4.10 -0.10 0.00 -1.78 0.00 0.00 34.13 28.13 3hot s GLU 123 CO -0.05 -1.85 0.96 -0.51 -0.49 0.00 0.00 175.26 173.32 3hot s LEU 124 N 5.97 3.89 -0.06 1.80 1.43 -1.26 -5.06 118.68 125.38 3hot s LEU 124 Ca 0.56 1.68 -0.01 0.00 -1.03 0.00 0.00 54.13 55.33 3hot s LEU 124 Cb -0.12 -4.54 -0.03 0.00 0.03 0.00 0.00 46.19 41.53 3hot s LEU 124 CO 0.27 -0.41 -0.00 0.21 0.23 0.00 0.00 176.35 176.65 3hot s ASN 125 N -2.30 5.17 0.37 2.29 2.47 -1.26 -4.95 114.94 116.73 3hot s ASN 125 Ca 0.62 0.10 0.15 0.00 0.42 0.00 0.00 52.86 54.14 3hot s ASN 125 Cb -0.09 -1.42 1.01 0.00 -1.45 0.00 0.00 41.25 39.29 3hot s ASN 125 CO 0.16 0.35 1.77 -0.08 -3.72 0.00 0.00 177.10 175.58 3hot h GLU 126 N 4.95 0.47 0.51 0.43 4.81 -1.99 1.12 114.58 124.88 3hot h GLU 126 Ca -0.50 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.67 3hot h GLU 126 Cb 1.19 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.47 3hot h GLU 126 CO 0.55 0.31 -0.24 -0.09 -0.73 0.00 0.00 179.01 178.81 3hot h ARG 127 N 0.49 -0.66 -1.22 1.92 2.43 -2.00 -2.88 114.38 112.46 3hot h ARG 127 Ca 0.59 0.04 0.35 0.00 -0.81 0.00 0.00 59.98 60.16 3hot h ARG 127 Cb 1.33 0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 30.98 3hot h ARG 127 CO -0.33 -0.44 1.25 1.96 -1.51 0.00 0.00 179.97 180.91 3hot h GLN 128 N -0.80 0.00 0.06 0.20 4.20 0.68 0.61 115.11 120.05 3hot h GLN 128 Ca -0.07 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 3hot h GLN 128 Cb 0.52 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.30 3hot h GLN 128 CO 0.11 0.00 -0.03 0.52 -0.67 0.00 0.00 178.83 178.77 3hot h MET 129 N 0.00 -0.07 -1.20 1.46 2.86 -0.36 -2.74 114.93 114.88 3hot h MET 129 Ca 0.58 0.00 0.34 0.00 -2.06 0.00 0.00 59.70 58.57 3hot h MET 129 Cb 3.08 0.02 -0.07 0.00 0.06 0.00 0.00 31.60 34.69 3hot h MET 129 CO -0.01 0.17 0.84 0.93 1.06 0.00 0.00 176.91 179.90 3hot h GLU 130 N -1.00 0.10 -0.11 1.72 5.08 0.36 0.11 114.58 120.83 3hot h GLU 130 Ca -0.01 -0.01 -0.20 0.00 -1.00 0.00 0.00 59.36 58.15 3hot h GLU 130 Cb 0.27 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.50 3hot h GLU 130 CO 0.01 0.07 -0.74 -0.09 -1.00 0.00 0.00 179.01 177.26 3hot h ARG 131 N 0.10 0.55 0.14 2.33 1.12 -1.11 -2.06 114.38 115.46 3hot h ARG 131 Ca 0.61 -0.44 -0.01 0.00 -1.11 0.00 0.00 59.98 59.03 3hot h ARG 131 Cb 2.17 0.09 0.00 0.00 -0.01 0.00 0.00 29.97 32.22 3hot h ARG 131 CO -0.11 1.07 -0.07 0.00 -3.11 0.00 0.00 179.97 177.75 3hot h ARG 132 N 0.38 -0.18 -0.99 0.20 3.08 -0.54 -3.06 114.38 113.26 3hot h ARG 132 Ca -0.04 0.01 0.26 0.00 0.07 0.00 0.00 59.98 60.28 3hot h ARG 132 Cb 1.33 0.04 -0.19 0.00 0.08 0.00 0.00 29.97 31.23 3hot h ARG 132 CO 0.14 0.14 -0.03 1.17 -1.07 0.00 0.00 179.97 180.31 3hot n LYS 133 N -4.88 -0.08 0.31 0.04 4.81 -0.21 -1.22 118.16 116.93 3hot n LYS 133 Ca -0.06 1.50 -0.16 0.00 -0.87 0.00 0.00 58.31 58.72 3hot n LYS 133 Cb 0.20 -2.35 -0.08 0.00 0.02 0.00 0.00 35.03 32.82 3hot n LYS 133 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 3hot h ASN 134 N 0.00 -0.66 -0.33 3.14 2.35 -1.43 0.66 115.58 119.32 3hot h ASN 134 Ca 0.58 -0.02 0.07 0.00 -0.55 0.00 0.00 56.30 56.37 3hot h ASN 134 Cb 1.13 0.17 -0.08 0.00 0.05 0.00 0.00 38.32 39.59 3hot h ASN 134 CO -0.95 -0.39 -0.32 0.74 -1.65 0.00 0.00 177.43 174.86 3hot h THR 135 N -0.91 0.25 -0.14 2.81 2.02 -1.19 0.96 112.91 116.71 3hot h THR 135 Ca -0.08 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.15 3hot h THR 135 Cb 0.64 0.25 -0.06 0.00 -1.74 0.00 0.00 68.15 67.24 3hot h THR 135 CO 0.13 0.00 -0.30 0.00 0.37 0.00 0.00 175.52 175.72 3hot h GLU 137 N -0.36 -0.25 0.52 0.00 4.81 0.21 -0.38 114.58 119.12 3hot h GLU 137 Ca 0.10 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.32 3hot h GLU 137 Cb 0.52 0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.96 3hot h GLU 137 CO -0.35 -0.17 -0.25 0.82 -0.73 0.00 0.00 179.01 178.34 3hot h ILE 138 N -0.26 0.43 -0.60 2.32 5.03 0.13 -2.48 117.51 122.08 3hot h ILE 138 Ca 0.16 -0.28 0.12 0.00 -0.12 0.00 0.00 64.86 64.74 3hot h ILE 138 Cb 0.52 0.55 -0.03 0.00 -3.03 0.00 0.00 36.82 34.82 3hot h ILE 138 CO -0.48 0.04 0.41 -0.07 -0.68 0.00 0.00 178.15 177.38 3hot h LEU 139 N -0.88 0.28 -0.08 1.44 3.38 -0.22 -1.71 115.31 117.52 3hot h LEU 139 Ca -0.07 0.01 -0.23 0.00 0.09 0.00 0.00 57.88 57.68 3hot h LEU 139 Cb 0.60 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.32 3hot h LEU 139 CO 0.12 0.16 -0.86 0.25 0.09 0.00 0.00 178.44 178.20 3hot h LEU 140 N 0.31 0.90 0.90 1.67 5.85 -0.97 -1.38 115.31 122.58 3hot h LEU 140 Ca 0.28 -0.68 -0.04 0.00 0.84 0.00 0.00 57.88 58.28 3hot h LEU 140 Cb 0.70 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 41.47 3hot h LEU 140 CO -0.07 1.44 -0.43 -1.28 -0.34 0.00 0.00 178.44 177.77 3hot h SER 141 N 0.43 -1.02 -0.22 1.25 0.87 -0.93 -2.42 113.55 111.51 3hot h SER 141 Ca -0.08 0.04 0.06 0.00 -1.23 0.00 0.00 61.79 60.57 3hot h SER 141 Cb 1.50 0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 63.72 3hot h SER 141 CO 0.17 -0.73 0.61 -0.09 -0.53 0.00 0.00 176.83 176.26 3hot h ARG 142 N -1.21 0.00 0.04 2.24 2.43 -1.38 -1.33 114.38 115.18 3hot h ARG 142 Ca -0.12 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 3hot h ARG 142 Cb 0.92 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 3hot h ARG 142 CO 0.20 0.00 -0.02 -0.92 -1.51 0.00 0.00 179.97 177.72 3hot h TYR 143 N 0.00 -0.05 0.00 2.20 3.20 -0.76 -3.34 116.97 118.21 3hot h TYR 143 Ca 0.10 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.92 3hot h TYR 143 Cb 1.32 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.60 3hot h TYR 143 CO 0.00 0.58 -0.23 -0.22 -1.64 0.00 0.00 178.16 176.65 3hot h LYS 144 N -0.75 0.00 -0.93 1.82 3.64 -0.94 -2.01 116.57 117.40 3hot h LYS 144 Ca -0.01 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.40 3hot h LYS 144 Cb 0.65 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.42 3hot h LYS 144 CO 0.01 0.23 0.61 0.00 -2.27 0.00 0.00 179.45 178.03 3hot h ARG 145 N 0.00 1.16 -0.76 1.90 3.08 -1.66 -3.43 114.38 114.67 3hot h ARG 145 Ca -0.00 -0.07 0.19 0.00 0.07 0.00 0.00 59.98 60.17 3hot h ARG 145 Cb 0.51 -0.26 -0.23 0.00 0.08 0.00 0.00 29.97 30.07 3hot h ARG 145 CO 0.03 0.77 0.14 0.21 -1.07 0.00 0.00 179.97 180.05 3hot s LYS 146 N -6.10 0.29 0.32 0.04 2.47 -0.79 -5.15 119.74 110.81 3hot s LYS 146 Ca -0.13 0.62 -0.28 0.00 -1.56 0.00 0.00 55.97 54.62 3hot s LYS 146 Cb 0.18 0.36 -0.13 0.00 -1.46 0.00 0.00 37.83 36.78 3hot s LYS 146 CO 0.81 -0.19 1.21 0.45 0.16 0.00 0.00 175.35 177.78 3hot n SER 147 N 5.20 2.31 0.00 1.43 2.88 -1.00 -4.62 113.62 119.82 3hot n SER 147 Ca -0.07 1.20 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 3hot n SER 147 Cb 0.53 -1.42 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 3hot n SER 147 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 3hot n PHE 148 N 0.39 0.00 -0.26 0.66 1.16 -1.26 -4.79 117.46 113.36 3hot n PHE 148 Ca 0.07 -0.07 -0.03 0.00 -1.87 0.00 0.00 57.45 55.54 3hot n PHE 148 Cb 0.34 -0.01 0.14 0.00 -1.61 0.00 0.00 39.48 38.35 3hot n PHE 148 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 3hot h LEU 149 N 0.00 1.00 -1.78 5.98 -0.00 -1.96 -1.68 115.31 116.87 3hot h LEU 149 Ca 0.00 -0.11 0.38 0.00 -0.00 0.00 0.00 57.88 58.15 3hot h LEU 149 Cb 0.76 -0.26 -0.05 0.00 -0.00 0.00 0.00 40.66 41.11 3hot h LEU 149 CO 0.00 0.83 1.07 0.45 -0.00 0.00 0.00 178.44 180.79 3hot h HIS 150 N 1.10 0.00 0.00 1.13 3.86 -1.99 0.40 115.15 119.65 3hot h HIS 150 Ca 0.27 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.27 3hot h HIS 150 Cb 0.09 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.52 3hot h HIS 150 CO 0.01 0.00 -1.52 0.54 0.86 0.00 0.00 177.93 177.82 3hot n ARG 151 N -3.82 0.62 -2.42 2.45 1.74 -0.64 -4.88 116.66 109.71 3hot n ARG 151 Ca 0.29 0.24 -0.43 0.00 -0.77 0.00 0.00 57.85 57.19 3hot n ARG 151 Cb 1.48 -1.80 -0.02 0.00 -1.02 0.00 0.00 32.46 31.10 3hot n ARG 151 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 3hot s ILE 152 N -2.81 4.24 -0.17 0.55 -1.16 0.14 -3.83 121.20 118.15 3hot s ILE 152 Ca -0.04 1.52 -0.03 0.00 -0.51 0.00 0.00 60.65 61.59 3hot s ILE 152 Cb 0.08 -3.98 -0.02 0.00 0.61 0.00 0.00 42.46 39.16 3hot s ILE 152 CO 0.82 -0.09 -0.05 0.54 -2.81 0.00 0.00 174.94 173.34 3hot s VAL 153 N 3.12 3.56 0.14 4.00 0.11 -0.27 -4.08 120.40 126.98 3hot s VAL 153 Ca 0.56 -0.46 0.05 0.00 -2.93 0.00 0.00 61.98 59.20 3hot s VAL 153 Cb -0.23 -2.57 -0.04 0.00 -1.53 0.00 0.00 36.38 32.01 3hot s VAL 153 CO 0.17 0.47 -0.11 0.28 -3.33 0.00 0.00 175.10 172.58 3hot s THR 154 N 0.76 1.22 -0.02 5.04 -1.32 -0.64 -2.10 115.64 118.59 3hot s THR 154 Ca -0.02 -1.93 -0.28 0.00 -1.21 0.00 0.00 61.69 58.25 3hot s THR 154 Cb -0.15 -1.71 0.10 0.00 -1.51 0.00 0.00 72.50 69.23 3hot s THR 154 CO 0.02 -0.63 0.84 -0.83 -2.21 0.00 0.00 174.62 171.81 3hot s GLY 155 N -2.90 -0.46 0.00 6.08 0.00 -1.16 -0.13 107.32 108.74 3hot s GLY 155 Ca 0.14 1.18 0.00 0.00 0.00 0.00 0.00 44.72 46.04 3hot s GLY 155 CO 0.02 0.53 0.00 1.34 0.00 0.00 0.00 173.10 174.99 3hot n ASP 156 N 0.08 0.00 -3.68 1.64 4.64 -1.01 -4.57 116.55 113.65 3hot n ASP 156 Ca -0.12 0.00 -0.10 0.00 -1.38 0.00 0.00 54.79 53.20 3hot n ASP 156 Cb 0.61 0.00 -0.10 0.00 -1.04 0.00 0.00 41.12 40.59 3hot n ASP 156 CO 0.00 0.00 0.00 -1.83 -0.82 0.00 0.00 177.20 174.55 3hot s GLU 157 N 1.21 0.46 0.01 -0.67 -1.05 -1.26 -2.42 118.70 114.99 3hot s GLU 157 Ca 0.00 0.88 -0.01 0.00 -0.15 0.00 0.00 54.97 55.70 3hot s GLU 157 Cb 0.00 0.01 -0.01 0.00 -0.44 0.00 0.00 34.13 33.69 3hot s GLU 157 CO 0.00 -0.16 -0.01 0.21 0.95 0.00 0.00 175.26 176.25 3hot s LYS 158 N 1.46 0.25 0.43 -4.83 2.20 -0.37 -5.00 119.74 113.87 3hot s LYS 158 Ca -0.10 -0.45 -0.23 0.00 -0.36 0.00 0.00 55.97 54.84 3hot s LYS 158 Cb -0.08 0.09 -0.09 0.00 -1.51 0.00 0.00 37.83 36.25 3hot s LYS 158 CO -0.14 -0.04 1.07 -1.58 -0.36 0.00 0.00 175.35 174.29 3hot s TRP 159 N -1.11 3.14 -0.34 4.03 0.52 -1.26 -1.65 118.94 122.28 3hot s TRP 159 Ca -0.12 1.61 0.03 0.00 0.02 0.00 0.00 56.10 57.64 3hot s TRP 159 Cb -0.08 -3.16 0.09 0.00 -1.15 0.00 0.00 33.47 29.18 3hot s TRP 159 CO -0.01 -0.82 0.05 0.42 0.02 0.00 0.00 176.95 176.61 3hot s ILE 160 N -1.70 2.43 0.64 2.03 1.01 -0.96 -4.87 121.20 119.78 3hot s ILE 160 Ca 0.61 -2.17 -0.18 0.00 0.00 0.00 0.00 60.65 58.91 3hot s ILE 160 Cb -0.22 -2.71 -0.01 0.00 0.01 0.00 0.00 42.46 39.53 3hot s ILE 160 CO 0.27 -0.51 1.27 -0.36 0.00 0.00 0.00 174.94 175.61 3hot s PHE 161 N 0.98 2.13 0.10 3.97 0.08 -1.26 -2.70 117.98 121.27 3hot s PHE 161 Ca 0.07 1.50 0.08 0.00 0.12 0.00 0.00 56.93 58.70 3hot s PHE 161 Cb -0.20 -3.64 -0.21 0.00 -0.57 0.00 0.00 43.02 38.40 3hot s PHE 161 CO -0.07 -2.77 1.22 0.74 -0.10 0.00 0.00 175.22 174.24 3hot h PHE 162 N 0.55 0.00 -3.84 0.36 -1.00 -1.77 -3.43 116.94 107.81 3hot h PHE 162 Ca -0.51 0.00 -0.58 0.00 2.81 0.00 0.00 57.97 59.70 3hot h PHE 162 Cb 1.33 0.00 -0.32 0.00 3.61 0.00 0.00 35.95 40.57 3hot h PHE 162 CO 0.43 0.99 -0.84 0.54 -1.61 0.00 0.00 178.31 177.82 3hot s VAL 163 N -2.70 1.50 -0.62 -0.55 0.11 -1.26 -2.74 120.40 114.14 3hot s VAL 163 Ca 0.00 -0.75 0.04 0.00 -2.93 0.00 0.00 61.98 58.35 3hot s VAL 163 Cb 0.10 -1.29 0.16 0.00 -1.53 0.00 0.00 36.38 33.82 3hot s VAL 163 CO 0.82 0.43 0.42 0.20 -3.33 0.00 0.00 175.10 173.64 3hot s ASN 164 N 0.08 4.21 0.51 3.54 -0.87 -0.77 -4.98 114.94 116.66 3hot s ASN 164 Ca -0.05 -3.52 -0.09 0.00 -1.57 0.00 0.00 52.86 47.63 3hot s ASN 164 Cb -0.12 -1.43 -0.05 0.00 -0.02 0.00 0.00 41.25 39.63 3hot s ASN 164 CO 0.03 -0.13 0.87 -2.16 -2.57 0.00 0.00 177.10 173.13 3hot s PRO 165 N -0.93 3.65 -0.10 -0.60 0.05 -1.26 -1.22 135.00 134.58 3hot s PRO 165 Ca 0.24 0.48 -0.25 0.00 0.05 0.00 0.00 61.00 61.52 3hot s PRO 165 Cb -0.08 -2.28 0.06 0.00 0.05 0.00 0.00 34.50 32.25 3hot s PRO 165 CO -0.13 -0.28 0.58 -1.59 0.05 0.00 0.00 177.00 175.64 3hot s LYS 166 N -4.61 0.87 0.22 4.56 0.00 -1.26 -4.90 119.74 114.62 3hot s LYS 166 Ca 0.51 0.37 -0.30 0.00 0.00 0.00 0.00 55.97 56.55 3hot s LYS 166 Cb -0.10 0.41 -0.10 0.00 0.00 0.00 0.00 37.83 38.04 3hot s LYS 166 CO 0.43 -0.22 1.45 0.50 0.00 0.00 0.00 175.35 177.52 3hot s ARG 167 N -0.71 4.27 0.08 1.78 3.52 -1.26 -4.97 118.95 121.67 3hot s ARG 167 Ca -0.08 2.29 -0.22 0.00 -0.13 0.00 0.00 55.73 57.59 3hot s ARG 167 Cb -0.02 -3.13 -0.07 0.00 -1.56 0.00 0.00 34.95 30.17 3hot s ARG 167 CO 0.06 -0.45 0.65 0.15 -0.81 0.00 0.00 175.30 174.91 3hot s LYS 168 N -0.00 4.36 -0.18 5.12 3.01 -1.26 -5.07 119.74 125.72 3hot s LYS 168 Ca 0.61 0.89 -0.07 0.00 -1.01 0.00 0.00 55.97 56.40 3hot s LYS 168 Cb -0.42 -3.28 -0.04 0.00 -1.01 0.00 0.00 37.83 33.09 3hot s LYS 168 CO 0.40 0.53 0.05 0.15 0.51 0.00 0.00 175.35 176.99 3hot s LYS 169 N -0.85 3.93 -0.02 1.68 1.02 -1.26 -4.67 119.74 119.57 3hot s LYS 169 Ca 0.32 -0.37 0.05 0.00 0.02 0.00 0.00 55.97 55.99 3hot s LYS 169 Cb -0.20 -3.17 -0.03 0.00 -0.52 0.00 0.00 37.83 33.90 3hot s LYS 169 CO 0.21 0.26 -0.15 -1.12 -0.92 0.00 0.00 175.35 173.63 3hot s SER 170 N 0.40 3.99 -0.49 2.83 0.01 -1.26 -4.99 113.70 114.18 3hot s SER 170 Ca 0.02 -0.26 -0.20 0.00 1.31 0.00 0.00 55.95 56.81 3hot s SER 170 Cb -0.13 -0.79 0.04 0.00 0.21 0.00 0.00 66.02 65.36 3hot s SER 170 CO 0.01 0.31 0.69 -0.31 0.41 0.00 0.00 173.24 174.35 3hot s TYR 171 N -0.81 3.01 0.17 2.43 1.51 -1.26 -4.97 117.35 117.43 3hot s TYR 171 Ca 0.13 -0.30 -0.07 0.00 -1.01 0.00 0.00 57.07 55.82 3hot s TYR 171 Cb -0.11 -3.57 -0.02 0.00 -0.11 0.00 0.00 41.96 38.16 3hot s TYR 171 CO 0.02 -1.04 0.25 0.54 -1.11 0.00 0.00 175.55 174.21 3hot s VAL 172 N 2.92 0.06 0.52 0.71 0.11 -1.26 -5.16 120.40 118.29 3hot s VAL 172 Ca 0.20 -1.57 -0.18 0.00 -2.93 0.00 0.00 61.98 57.50 3hot s VAL 172 Cb -0.16 -2.01 -0.07 0.00 -1.53 0.00 0.00 36.38 32.60 3hot s VAL 172 CO 0.15 -0.25 1.02 -1.81 -3.33 0.00 0.00 175.10 170.88 3hot s ASP 173 N -3.01 6.31 0.37 3.54 -0.00 -1.26 -4.93 116.67 117.68 3hot s ASP 173 Ca 0.22 1.79 -0.27 0.00 -0.00 0.00 0.00 52.55 54.28 3hot s ASP 173 Cb 0.04 -2.54 -0.11 0.00 -0.00 0.00 0.00 42.92 40.31 3hot s ASP 173 CO 0.03 -0.80 1.32 -2.65 -0.00 0.00 0.00 175.17 173.07 3hot n PRO 174 N -1.37 2.18 -2.61 8.23 -0.02 -1.26 -3.41 135.00 136.74 3hot n PRO 174 Ca 0.08 0.77 -0.02 0.00 -2.02 0.00 0.00 63.50 62.31 3hot n PRO 174 Cb 0.53 -2.41 0.01 0.00 -0.02 0.00 0.00 33.50 31.61 3hot n PRO 174 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hot n GLY 175 N 0.72 -0.86 3.24 -1.23 0.00 -1.26 -5.08 105.19 100.71 3hot n GLY 175 Ca 0.04 0.28 -0.12 0.00 0.00 0.00 0.00 46.02 46.22 3hot n GLY 175 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hot s GLN 176 N -3.21 0.75 0.19 1.61 -1.52 -1.22 -5.13 119.66 111.14 3hot s GLN 176 Ca 0.07 -0.40 -0.31 0.00 -1.95 0.00 0.00 55.36 52.76 3hot s GLN 176 Cb -0.01 0.33 -0.11 0.00 -0.22 0.00 0.00 33.01 33.00 3hot s GLN 176 CO 0.52 -0.23 1.61 -1.25 -0.25 0.00 0.00 175.29 175.69 3hot s PRO 177 N -2.12 4.18 -0.02 2.91 0.04 -1.26 -5.02 135.00 133.71 3hot s PRO 177 Ca -0.08 2.45 -0.11 0.00 0.04 0.00 0.00 61.00 63.30 3hot s PRO 177 Cb -0.02 -3.11 -0.05 0.00 0.04 0.00 0.00 34.50 31.35 3hot s PRO 177 CO -0.01 -0.64 0.32 0.00 0.04 0.00 0.00 177.00 176.71 3hot s ALA 178 N 0.98 3.77 -0.47 8.56 0.00 -1.26 -5.00 121.76 128.34 3hot s ALA 178 Ca 0.70 -0.40 -0.44 0.00 0.00 0.00 0.00 51.96 51.82 3hot s ALA 178 Cb -0.46 -2.22 -0.19 0.00 0.00 0.00 0.00 23.12 20.26 3hot s ALA 178 CO 0.34 0.55 1.87 2.41 0.00 0.00 0.00 175.76 180.93 3hot n THR 179 N 1.64 0.04 -3.90 0.00 -1.04 -1.26 -4.93 114.28 104.83 3hot n THR 179 Ca -0.14 -0.02 -0.31 0.00 -2.04 0.00 0.00 64.05 61.54 3hot n THR 179 Cb 0.53 -0.64 -0.04 0.00 -1.82 0.00 0.00 70.33 68.36 3hot n THR 179 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3hot s SER 180 N 4.53 6.37 -0.00 8.00 1.04 -1.26 -4.27 113.70 128.10 3hot s SER 180 Ca 1.11 0.29 0.03 0.00 0.48 0.00 0.00 55.95 57.85 3hot s SER 180 Cb -1.42 -1.97 -0.01 0.00 0.10 0.00 0.00 66.02 62.73 3hot s SER 180 CO 0.72 0.15 -0.09 0.42 0.98 0.00 0.00 173.24 175.41 3hot s THR 181 N -1.54 0.74 0.14 2.02 -4.23 -1.26 -5.00 115.64 106.50 3hot s THR 181 Ca 0.35 -0.46 -0.30 0.00 -1.18 0.00 0.00 61.69 60.10 3hot s THR 181 Cb -0.13 -0.63 -0.07 0.00 1.34 0.00 0.00 72.50 73.01 3hot s THR 181 CO 0.28 0.17 1.18 0.00 -0.54 0.00 0.00 174.62 175.70 3hot s ALA 182 N -0.31 3.41 0.44 3.99 0.00 -1.26 -4.95 121.76 123.08 3hot s ALA 182 Ca 0.03 0.89 -0.23 0.00 0.00 0.00 0.00 51.96 52.65 3hot s ALA 182 Cb -0.04 -3.41 -0.11 0.00 0.00 0.00 0.00 23.12 19.55 3hot s ALA 182 CO -0.00 -0.36 0.73 0.54 0.00 0.00 0.00 175.76 176.66 3hot n ARG 183 N 2.98 0.84 -2.56 0.00 1.74 -1.26 -4.95 116.66 113.45 3hot n ARG 183 Ca 0.06 0.31 -0.42 0.00 -0.77 0.00 0.00 57.85 57.02 3hot n ARG 183 Cb 0.46 -1.73 -0.03 0.00 -1.02 0.00 0.00 32.46 30.13 3hot n ARG 183 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3hot s PRO 184 N -1.82 4.54 0.11 5.56 0.04 -1.26 -5.03 135.00 137.14 3hot s PRO 184 Ca 0.64 1.62 -0.31 0.00 0.04 0.00 0.00 61.00 62.99 3hot s PRO 184 Cb -0.57 -3.37 -0.08 0.00 0.04 0.00 0.00 34.50 30.52 3hot s PRO 184 CO 0.57 -0.07 1.34 1.21 0.04 0.00 0.00 177.00 180.09 3hot s ASN 185 N 0.66 6.89 0.30 6.66 3.84 -1.26 -4.95 114.94 127.08 3hot s ASN 185 Ca 0.53 2.27 0.07 0.00 0.21 0.00 0.00 52.86 55.94 3hot s ASN 185 Cb -0.26 -2.59 0.46 0.00 -0.55 0.00 0.00 41.25 38.31 3hot s ASN 185 CO 0.30 -0.60 1.70 -0.09 -2.79 0.00 0.00 177.10 175.62 3hot h ARG 186 N 6.65 0.22 -1.82 0.43 2.43 -2.02 -3.23 114.38 117.04 3hot h ARG 186 Ca -0.42 -0.10 -0.70 0.00 -0.81 0.00 0.00 59.98 57.94 3hot h ARG 186 Cb 1.21 -0.00 -0.33 0.00 -0.42 0.00 0.00 29.97 30.43 3hot h ARG 186 CO 0.84 0.60 0.39 1.19 -1.51 0.00 0.00 179.97 181.48 3hot n PHE 187 N -4.02 3.15 -3.00 2.20 3.72 -1.26 -5.01 117.46 113.23 3hot n PHE 187 Ca -0.02 -2.63 -0.17 0.00 -0.05 0.00 0.00 57.45 54.58 3hot n PHE 187 Cb 0.48 -0.77 0.02 0.00 -0.94 0.00 0.00 39.48 38.27 3hot n PHE 187 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 3hot s GLY 188 N -2.02 1.93 0.12 1.37 0.00 -1.22 -5.05 107.32 102.45 3hot s GLY 188 Ca 0.50 -1.71 -0.34 0.00 0.00 0.00 0.00 44.72 43.18 3hot s GLY 188 CO -0.33 -1.50 1.59 1.17 0.00 0.00 0.00 173.10 174.03 3hot n LYS 189 N -1.90 2.04 -3.64 2.90 4.81 -1.26 -4.95 118.16 116.16 3hot n LYS 189 Ca 0.09 0.74 -0.12 0.00 -0.87 0.00 0.00 58.31 58.14 3hot n LYS 189 Cb 0.59 -2.50 -0.07 0.00 0.02 0.00 0.00 35.03 33.07 3hot n LYS 189 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 3hot s LYS 190 N 1.28 0.77 0.43 1.64 -2.85 -1.26 -2.28 119.74 117.46 3hot s LYS 190 Ca 0.81 1.01 -0.01 0.00 -1.00 0.00 0.00 55.97 56.78 3hot s LYS 190 Cb -0.71 0.32 0.09 0.00 -2.06 0.00 0.00 37.83 35.47 3hot s LYS 190 CO 0.41 -0.11 0.59 0.25 0.10 0.00 0.00 175.35 176.59 3hot n THR 191 N 3.11 0.00 -3.62 3.79 -2.24 -1.10 -3.81 114.28 110.42 3hot n THR 191 Ca -0.16 -0.84 -0.22 0.00 -2.27 0.00 0.00 64.05 60.56 3hot n THR 191 Cb 0.56 -1.18 -0.17 0.00 -2.10 0.00 0.00 70.33 67.44 3hot n THR 191 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 3hot s MET 192 N -4.01 0.03 -0.20 -0.78 1.75 -1.06 -2.27 119.30 112.75 3hot s MET 192 Ca 0.38 0.18 -0.16 0.00 -1.25 0.00 0.00 55.69 54.84 3hot s MET 192 Cb -0.02 -1.15 -0.04 0.00 2.84 0.00 0.00 34.83 36.46 3hot s MET 192 CO 0.25 -0.52 0.39 -1.17 -0.65 0.00 0.00 175.02 173.32 3hot s LEU 193 N 2.19 4.15 -0.09 4.11 2.96 -0.66 -0.15 118.68 131.20 3hot s LEU 193 Ca 0.04 0.50 0.03 0.00 -0.22 0.00 0.00 54.13 54.47 3hot s LEU 193 Cb -0.14 -2.49 0.01 0.00 0.50 0.00 0.00 46.19 44.06 3hot s LEU 193 CO -0.07 -0.07 -0.19 0.00 -1.32 0.00 0.00 176.35 174.70 3hot s VAL 195 N 0.51 -0.00 -0.02 0.00 0.11 -1.01 0.24 120.40 120.23 3hot s VAL 195 Ca -0.16 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 58.97 3hot s VAL 195 Cb -0.17 -0.01 -0.02 0.00 -1.53 0.00 0.00 36.38 34.65 3hot s VAL 195 CO 0.06 0.00 -0.25 0.26 -3.33 0.00 0.00 175.10 171.84 3hot s TRP 196 N 0.01 2.24 0.10 1.54 0.51 -0.55 -2.40 118.94 120.39 3hot s TRP 196 Ca -0.00 -0.43 -0.08 0.00 -2.12 0.00 0.00 56.10 53.47 3hot s TRP 196 Cb -0.00 -1.44 -0.00 0.00 -0.81 0.00 0.00 33.47 31.21 3hot s TRP 196 CO -0.00 -0.04 0.19 1.67 -0.51 0.00 0.00 176.95 178.26 3hot s TRP 197 N -0.58 0.21 0.45 -1.98 1.48 0.81 -1.96 118.94 117.37 3hot s TRP 197 Ca 0.09 -0.64 0.03 0.00 -1.06 0.00 0.00 56.10 54.53 3hot s TRP 197 Cb -0.10 -0.08 -0.01 0.00 -1.16 0.00 0.00 33.47 32.12 3hot s TRP 197 CO -0.01 -0.56 0.12 -0.40 -4.06 0.00 0.00 176.95 172.04 3hot n ASP 198 N -0.07 1.76 -0.21 -2.66 5.75 -0.01 -1.62 116.55 119.49 3hot n ASP 198 Ca -0.14 -3.27 0.30 0.00 -0.01 0.00 0.00 54.79 51.67 3hot n ASP 198 Cb 0.62 0.91 0.73 0.00 -1.03 0.00 0.00 41.12 42.35 3hot n ASP 198 CO 0.00 0.00 0.00 0.06 -0.11 0.00 0.00 177.20 177.15 3hot h GLN 199 N 0.00 0.00 0.00 0.11 3.07 -1.85 -2.86 115.11 113.59 3hot h GLN 199 Ca -0.36 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.38 3hot h GLN 199 Cb 1.28 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.84 3hot h GLN 199 CO 0.57 0.00 -0.14 0.77 0.09 0.00 0.00 178.83 180.12 3hot h SER 200 N 0.00 0.00 -0.27 0.06 0.02 -1.92 -0.23 113.55 111.21 3hot h SER 200 Ca 0.45 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.40 3hot h SER 200 Cb 1.87 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.41 3hot h SER 200 CO -0.00 0.57 0.00 0.61 -1.14 0.00 0.00 176.83 176.87 3hot n GLY 201 N 1.73 3.53 3.63 -3.77 0.00 -1.08 -4.72 105.19 104.51 3hot n GLY 201 Ca -0.02 -1.03 -0.41 0.00 0.00 0.00 0.00 46.02 44.55 3hot n GLY 201 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hot s VAL 202 N -2.40 4.89 -0.06 1.61 0.11 -1.26 -0.83 120.40 122.47 3hot s VAL 202 Ca 0.00 1.28 -0.17 0.00 -2.93 0.00 0.00 61.98 60.16 3hot s VAL 202 Cb 0.00 -4.04 -0.12 0.00 -1.53 0.00 0.00 36.38 30.69 3hot s VAL 202 CO 0.00 -0.07 0.69 0.40 -3.33 0.00 0.00 175.10 172.79 3hot h ILE 203 N 5.46 0.54 -1.79 7.04 1.08 -1.73 -3.48 117.51 124.63 3hot h ILE 203 Ca -0.25 -1.01 0.01 0.00 -0.39 0.00 0.00 64.86 63.22 3hot h ILE 203 Cb 1.11 0.92 -0.23 0.00 -3.07 0.00 0.00 36.82 35.55 3hot h ILE 203 CO 0.83 0.15 0.32 -0.47 -0.69 0.00 0.00 178.15 178.28 3hot s TYR 204 N -3.11 -0.60 -0.04 1.37 6.14 -1.13 -4.89 117.35 115.10 3hot s TYR 204 Ca -0.10 1.37 -0.05 0.00 0.64 0.00 0.00 57.07 58.93 3hot s TYR 204 Cb 0.00 0.34 0.01 0.00 0.42 0.00 0.00 41.96 42.74 3hot s TYR 204 CO 0.36 -0.34 0.13 1.52 0.64 0.00 0.00 175.55 177.85 3hot s TYR 205 N -0.05 -0.09 0.08 4.97 1.13 -1.26 -1.49 117.35 120.65 3hot s TYR 205 Ca -0.00 0.21 0.05 0.00 -1.41 0.00 0.00 57.07 55.91 3hot s TYR 205 Cb -0.04 0.02 -0.04 0.00 -1.10 0.00 0.00 41.96 40.80 3hot s TYR 205 CO -0.01 -0.13 -0.01 -1.21 -2.51 0.00 0.00 175.55 171.69 3hot s GLU 206 N -0.33 2.54 -0.60 -3.49 2.02 0.14 -4.98 118.70 113.99 3hot s GLU 206 Ca -0.04 -0.82 0.04 0.00 0.02 0.00 0.00 54.97 54.17 3hot s GLU 206 Cb -0.03 -2.53 0.15 0.00 0.10 0.00 0.00 34.13 31.82 3hot s GLU 206 CO 0.00 0.55 0.38 -1.17 0.02 0.00 0.00 175.26 175.04 3hot s LEU 207 N -2.18 4.41 -0.17 1.80 2.96 -1.26 -1.06 118.68 123.18 3hot s LEU 207 Ca 0.24 -3.42 -0.34 0.00 -0.22 0.00 0.00 54.13 50.40 3hot s LEU 207 Cb -0.12 -1.58 -0.11 0.00 0.50 0.00 0.00 46.19 44.88 3hot s LEU 207 CO 0.17 -0.16 1.98 0.18 -1.32 0.00 0.00 176.35 177.20 3hot n LEU 208 N 2.56 3.10 -4.61 -0.68 4.32 0.79 -4.78 117.00 117.69 3hot n LEU 208 Ca 0.13 0.78 -0.38 0.00 -0.02 0.00 0.00 56.01 56.52 3hot n LEU 208 Cb 0.34 -1.35 0.05 0.00 -1.62 0.00 0.00 43.42 40.84 3hot n LEU 208 CO 0.29 -0.29 0.52 0.29 -1.22 0.00 0.00 177.39 176.99 3hot n LYS 209 N 7.14 0.89 -1.40 3.23 5.02 -1.26 -2.57 118.16 129.21 3hot n LYS 209 Ca 0.28 0.34 -0.55 0.00 -2.02 0.00 0.00 58.31 56.36 3hot n LYS 209 Cb 0.29 -2.14 -0.07 0.00 -0.02 0.00 0.00 35.03 33.08 3hot n LYS 209 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3hot n PRO 210 N -0.94 0.00 -2.98 1.97 -0.02 -1.26 -1.91 135.00 129.85 3hot n PRO 210 Ca 0.13 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.51 3hot n PRO 210 Cb 0.47 -1.38 0.04 0.00 -0.02 0.00 0.00 33.50 32.60 3hot n PRO 210 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hot n GLY 211 N 1.42 0.29 3.89 -1.23 0.00 -1.25 -5.03 105.19 103.28 3hot n GLY 211 Ca 0.19 -0.27 -0.23 0.00 0.00 0.00 0.00 46.02 45.71 3hot n GLY 211 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hot s GLU 212 N -5.57 3.18 0.09 1.61 2.56 -0.80 -5.12 118.70 114.64 3hot s GLU 212 Ca 0.26 -0.86 0.06 0.00 0.00 0.00 0.00 54.97 54.42 3hot s GLU 212 Cb -0.11 -2.75 -0.03 0.00 2.00 0.00 0.00 34.13 33.24 3hot s GLU 212 CO 0.32 0.44 -0.14 -0.08 -0.56 0.00 0.00 175.26 175.24 3hot s THR 213 N -1.97 1.23 -0.33 -1.70 -1.32 -1.26 -5.01 115.64 105.27 3hot s THR 213 Ca 0.33 -1.49 -0.01 0.00 -1.21 0.00 0.00 61.69 59.31 3hot s THR 213 Cb -0.09 -1.29 0.07 0.00 -1.51 0.00 0.00 72.50 69.68 3hot s THR 213 CO 0.27 -0.30 0.06 -0.69 -2.21 0.00 0.00 174.62 171.75 3hot s VAL 214 N -1.63 3.00 0.26 5.08 1.01 -1.26 -4.99 120.40 121.87 3hot s VAL 214 Ca 0.03 -1.67 0.09 0.00 0.00 0.00 0.00 61.98 60.42 3hot s VAL 214 Cb -0.08 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 3hot s VAL 214 CO 0.03 -0.32 0.06 0.54 0.00 0.00 0.00 175.10 175.41 3hot s ASN 215 N 1.39 4.86 0.25 3.32 2.20 -1.26 -4.89 114.94 120.80 3hot s ASN 215 Ca 0.00 -0.52 -0.00 0.00 -0.94 0.00 0.00 52.86 51.39 3hot s ASN 215 Cb -0.21 -1.02 0.58 0.00 -2.00 0.00 0.00 41.25 38.60 3hot s ASN 215 CO -0.03 -0.02 1.30 0.00 -2.94 0.00 0.00 177.10 175.42 3hot n ALA 216 N -0.99 0.37 0.47 3.54 0.00 -1.26 0.10 120.51 122.75 3hot n ALA 216 Ca -0.07 0.90 -0.20 0.00 0.00 0.00 0.00 53.44 54.07 3hot n ALA 216 Cb 0.59 -0.63 -0.09 0.00 0.00 0.00 0.00 19.45 19.32 3hot n ALA 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hot h ALA 217 N 1.66 -1.19 -0.81 0.00 0.00 -1.97 -3.19 119.26 113.76 3hot h ALA 217 Ca 0.48 -0.26 0.19 0.00 0.00 0.00 0.00 54.91 55.32 3hot h ALA 217 Cb 0.94 0.46 -0.14 0.00 0.00 0.00 0.00 17.79 19.04 3hot h ALA 217 CO -0.80 -1.16 0.02 -0.09 0.00 0.00 0.00 179.25 177.22 3hot h ARG 218 N -1.22 0.09 -0.69 0.00 9.65 0.32 -0.88 114.38 121.65 3hot h ARG 218 Ca -0.12 -0.01 0.01 0.00 -1.10 0.00 0.00 59.98 58.76 3hot h ARG 218 Cb 0.92 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 29.44 3hot h ARG 218 CO 0.20 0.06 0.45 -0.92 2.80 0.00 0.00 179.97 182.57 3hot h TYR 219 N 0.10 0.86 -0.04 2.20 3.20 -1.37 -2.51 116.97 119.41 3hot h TYR 219 Ca 0.46 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.37 3hot h TYR 219 Cb 0.84 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.80 3hot h TYR 219 CO -0.43 0.53 -0.07 1.96 -1.64 0.00 0.00 178.16 178.50 3hot h GLN 220 N 0.92 -0.11 -0.65 1.82 4.20 -1.15 0.51 115.11 120.64 3hot h GLN 220 Ca 0.26 0.01 0.09 0.00 0.06 0.00 0.00 58.65 59.07 3hot h GLN 220 Cb -0.08 0.02 -0.11 0.00 0.30 0.00 0.00 27.48 27.61 3hot h GLN 220 CO -0.07 -0.07 -0.45 0.37 -0.67 0.00 0.00 178.83 177.94 3hot h GLN 221 N -0.11 -0.18 0.11 1.46 5.75 -1.24 0.16 115.11 121.05 3hot h GLN 221 Ca 0.04 0.01 0.02 0.00 -0.15 0.00 0.00 58.65 58.58 3hot h GLN 221 Cb 0.17 0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.72 3hot h GLN 221 CO -0.11 -0.12 -0.30 1.96 -2.65 0.00 0.00 178.83 177.61 3hot h GLN 222 N -0.19 -0.50 -0.48 1.69 4.20 -0.91 0.13 115.11 119.05 3hot h GLN 222 Ca 0.19 0.03 0.07 0.00 0.06 0.00 0.00 58.65 59.01 3hot h GLN 222 Cb 0.55 0.11 -0.10 0.00 0.30 0.00 0.00 27.48 28.35 3hot h GLN 222 CO -0.74 -0.33 -0.45 -0.07 -0.67 0.00 0.00 178.83 176.57 3hot h LEU 223 N -0.52 -1.51 -0.49 1.46 4.07 0.11 1.04 115.31 119.48 3hot h LEU 223 Ca 0.03 0.23 0.02 0.00 0.08 0.00 0.00 57.88 58.24 3hot h LEU 223 Cb 0.55 0.67 -0.03 0.00 1.08 0.00 0.00 40.66 42.93 3hot h LEU 223 CO -0.18 -0.36 0.30 0.40 -1.08 0.00 0.00 178.44 177.53 3hot h ILE 224 N -0.29 1.08 -0.90 1.22 2.04 -0.48 -1.19 117.51 118.99 3hot h ILE 224 Ca 0.15 -0.21 0.03 0.00 1.00 0.00 0.00 64.86 65.83 3hot h ILE 224 Cb 0.58 0.41 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 3hot h ILE 224 CO -0.63 0.11 0.59 0.78 0.00 0.00 0.00 178.15 179.01 3hot h ASN 225 N 0.61 0.99 -0.00 1.72 2.35 0.27 0.16 115.58 121.68 3hot h ASN 225 Ca 0.19 -0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.94 3hot h ASN 225 Cb -0.02 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.11 3hot h ASN 225 CO -0.07 0.68 -0.08 0.25 -1.65 0.00 0.00 177.43 176.56 3hot h LEU 226 N 1.15 -0.23 -0.18 1.61 5.85 0.21 -1.11 115.31 122.61 3hot h LEU 226 Ca 0.35 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 59.11 3hot h LEU 226 Cb -0.01 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 3hot h LEU 226 CO -0.10 -0.12 0.10 -1.13 -0.34 0.00 0.00 178.44 176.85 3hot h ASN 227 N -0.14 0.22 -0.66 1.25 -0.00 -0.82 0.86 115.58 116.28 3hot h ASN 227 Ca 0.03 -0.07 0.12 0.00 -0.00 0.00 0.00 56.30 56.38 3hot h ASN 227 Cb 0.18 -0.06 -0.12 0.00 -0.00 0.00 0.00 38.32 38.32 3hot h ASN 227 CO -0.08 0.22 -0.32 -0.09 -0.00 0.00 0.00 177.43 177.16 3hot h ARG 228 N 0.20 -0.11 -0.15 6.67 2.43 -0.87 0.37 114.38 122.92 3hot h ARG 228 Ca 0.06 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.17 3hot h ARG 228 Cb 0.05 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3hot h ARG 228 CO -0.01 -0.08 -0.22 0.00 -1.51 0.00 0.00 179.97 178.16 3hot h ALA 229 N 1.15 1.36 -0.22 2.80 0.00 -0.23 -3.14 119.26 120.99 3hot h ALA 229 Ca 0.26 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3hot h ALA 229 Cb 0.55 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3hot h ALA 229 CO -0.73 0.44 0.02 1.25 0.00 0.00 0.00 179.25 180.23 3hot h LEU 230 N 0.24 0.36 -0.60 0.00 6.46 0.47 -2.57 115.31 119.67 3hot h LEU 230 Ca 0.04 -0.28 0.09 0.00 -0.12 0.00 0.00 57.88 57.61 3hot h LEU 230 Cb 0.52 -0.10 -0.11 0.00 -0.73 0.00 0.00 40.66 40.25 3hot h LEU 230 CO 0.04 0.55 -0.41 1.56 -0.62 0.00 0.00 178.44 179.55 3hot h GLN 231 N 0.15 -0.20 0.00 1.25 1.08 -0.98 -0.26 115.11 116.16 3hot h GLN 231 Ca 0.06 0.01 -0.15 0.00 -1.45 0.00 0.00 58.65 57.12 3hot h GLN 231 Cb 0.35 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.81 3hot h GLN 231 CO 0.01 -0.13 -0.73 0.07 -0.95 0.00 0.00 178.83 177.09 3hot h ARG 232 N -0.20 0.00 0.14 1.46 0.11 -1.69 -3.34 114.38 110.85 3hot h ARG 232 Ca 0.20 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 60.07 3hot h ARG 232 Cb 0.56 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.66 3hot h ARG 232 CO -0.70 0.73 -0.95 0.87 0.10 0.00 0.00 179.97 180.03 3hot h LYS 233 N 0.00 0.30 -3.62 0.08 1.79 -0.90 -3.38 116.57 110.84 3hot h LYS 233 Ca -0.01 -0.52 -0.73 0.00 -2.18 0.00 0.00 60.65 57.21 3hot h LYS 233 Cb 1.43 0.19 -0.32 0.00 -1.58 0.00 0.00 32.23 31.95 3hot h LYS 233 CO 0.10 1.25 -0.14 1.03 -1.08 0.00 0.00 179.45 180.61 3hot s ARG 234 N -2.44 3.09 0.60 3.15 1.81 -0.19 -4.99 118.95 119.98 3hot s ARG 234 Ca -0.14 -2.64 0.28 0.00 -1.72 0.00 0.00 55.73 51.51 3hot s ARG 234 Cb 0.02 -4.04 1.37 0.00 -0.45 0.00 0.00 34.95 31.85 3hot s ARG 234 CO 0.83 -1.23 1.78 -1.35 -0.68 0.00 0.00 175.30 174.65 3hot h PRO 235 N 7.14 0.00 -0.34 3.54 0.11 -1.76 -3.09 132.00 137.60 3hot h PRO 235 Ca 0.06 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.93 3hot h PRO 235 Cb 0.96 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 31.79 3hot h PRO 235 CO 0.75 0.00 -0.75 -0.85 -0.21 0.00 0.00 178.00 176.95 3hot n GLU 236 N -3.49 1.40 -2.15 1.05 -0.00 -1.26 -4.88 120.64 111.31 3hot n GLU 236 Ca 0.09 -2.47 -0.30 0.00 -0.00 0.00 0.00 57.16 54.48 3hot n GLU 236 Cb 0.78 -0.65 -0.05 0.00 -0.00 0.00 0.00 31.44 31.52 3hot n GLU 236 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 3hot s TYR 237 N -1.77 2.04 0.00 -1.84 2.02 -1.17 -4.51 117.35 112.11 3hot s TYR 237 Ca 0.21 0.20 0.00 0.00 -0.37 0.00 0.00 57.07 57.11 3hot s TYR 237 Cb 0.40 -4.15 0.00 0.00 -0.40 0.00 0.00 41.96 37.81 3hot s TYR 237 CO -0.06 -1.50 0.00 1.04 -1.57 0.00 0.00 175.55 173.46 3hot n GLN 241 N 8.53 0.00 -4.03 -0.62 6.02 -1.26 -4.96 117.38 121.07 3hot n GLN 241 Ca 0.43 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 57.10 3hot n GLN 241 Cb 0.47 0.00 -0.15 0.00 1.02 0.00 0.00 30.24 31.58 3hot n GLN 241 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 3hot s HIS 242 N 0.00 3.48 0.26 1.08 3.76 -1.26 -5.12 115.29 117.49 3hot s HIS 242 Ca 0.00 -2.58 -0.31 0.00 -0.15 0.00 0.00 55.06 52.02 3hot s HIS 242 Cb 0.00 -2.39 -0.12 0.00 1.11 0.00 0.00 32.58 31.18 3hot s HIS 242 CO 0.00 -0.91 1.66 -2.13 -0.85 0.00 0.00 174.74 172.51 3hot n ARG 243 N 4.38 2.76 -2.42 1.40 0.63 -1.26 -4.97 116.66 117.18 3hot n ARG 243 Ca -0.06 0.99 -0.41 0.00 -0.92 0.00 0.00 57.85 57.44 3hot n ARG 243 Cb 0.42 -2.80 -0.03 0.00 0.45 0.00 0.00 32.46 30.49 3hot n ARG 243 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 3hot s VAL 244 N 0.52 3.82 -0.24 5.15 1.01 -1.26 -4.92 120.40 124.48 3hot s VAL 244 Ca 0.69 1.44 -0.04 0.00 0.00 0.00 0.00 61.98 64.06 3hot s VAL 244 Cb -0.49 -3.92 -0.00 0.00 0.00 0.00 0.00 36.38 31.97 3hot s VAL 244 CO 0.41 0.19 -0.01 -0.63 0.00 0.00 0.00 175.10 175.05 3hot s ILE 245 N 0.36 3.46 -0.26 2.22 -1.09 -1.25 -1.32 121.20 123.31 3hot s ILE 245 Ca 0.54 -0.61 -0.07 0.00 -2.23 0.00 0.00 60.65 58.29 3hot s ILE 245 Cb -0.31 -2.65 -0.01 0.00 -1.58 0.00 0.00 42.46 37.91 3hot s ILE 245 CO 0.33 0.31 0.07 0.12 -1.23 0.00 0.00 174.94 174.54 3hot s PHE 246 N 1.46 3.10 -0.26 3.97 5.36 0.51 -1.11 117.98 131.02 3hot s PHE 246 Ca 0.04 -0.64 -0.03 0.00 -0.96 0.00 0.00 56.93 55.34 3hot s PHE 246 Cb -0.15 -2.24 0.02 0.00 -0.34 0.00 0.00 43.02 40.31 3hot s PHE 246 CO -0.02 -0.45 -0.03 -1.17 -1.46 0.00 0.00 175.22 172.09 3hot s LEU 247 N 1.57 3.30 -0.02 6.12 2.96 -0.89 -1.10 118.68 130.62 3hot s LEU 247 Ca 0.05 -0.82 -0.18 0.00 -0.22 0.00 0.00 54.13 52.96 3hot s LEU 247 Cb -0.16 -1.71 0.03 0.00 0.50 0.00 0.00 46.19 44.86 3hot s LEU 247 CO 0.03 -0.13 0.39 -1.38 -1.32 0.00 0.00 176.35 173.93 3hot s HIS 248 N 1.36 -0.29 0.65 5.38 -3.43 -1.26 -3.00 115.29 114.71 3hot s HIS 248 Ca 0.01 0.46 -0.15 0.00 -0.80 0.00 0.00 55.06 54.58 3hot s HIS 248 Cb -0.17 0.16 -0.01 0.00 -1.43 0.00 0.00 32.58 31.14 3hot s HIS 248 CO -0.03 -0.43 1.11 0.16 -2.00 0.00 0.00 174.74 173.55 3hot s ASP 249 N -1.28 5.16 -0.12 7.38 1.47 -1.26 -4.87 116.67 123.16 3hot s ASP 249 Ca -0.13 2.03 -0.05 0.00 1.18 0.00 0.00 52.55 55.58 3hot s ASP 249 Cb -0.04 -2.55 -0.17 0.00 -0.34 0.00 0.00 42.92 39.81 3hot s ASP 249 CO 0.05 -1.59 3.33 0.59 0.68 0.00 0.00 175.17 178.23 3hot n ASN 250 N -2.29 5.57 -4.46 2.11 3.02 -1.26 -4.74 115.26 113.21 3hot n ASN 250 Ca 0.11 -2.67 -0.34 0.00 -0.03 0.00 0.00 54.58 51.65 3hot n ASN 250 Cb 0.52 -1.36 0.11 0.00 -0.61 0.00 0.00 39.78 38.44 3hot n ASN 250 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hot n ALA 251 N 2.03 -2.05 0.23 5.41 0.00 -1.26 -4.70 120.51 120.16 3hot n ALA 251 Ca 0.43 -0.48 0.07 0.00 0.00 0.00 0.00 53.44 53.46 3hot n ALA 251 Cb 0.81 -1.86 0.58 0.00 0.00 0.00 0.00 19.45 18.98 3hot n ALA 251 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3hot h PRO 252 N -1.16 0.04 0.18 0.00 0.13 -1.99 -1.73 132.00 127.48 3hot h PRO 252 Ca -0.44 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 3hot h PRO 252 Cb 1.30 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.43 3hot h PRO 252 CO 0.38 0.09 -0.09 1.03 -0.23 0.00 0.00 178.00 179.18 3hot h SER 253 N 0.04 -0.21 0.23 1.44 0.87 -1.90 -3.23 113.55 110.80 3hot h SER 253 Ca 0.01 -0.29 -0.00 0.00 -1.23 0.00 0.00 61.79 60.28 3hot h SER 253 Cb 0.10 0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.11 3hot h SER 253 CO 0.01 0.34 -0.02 0.45 -0.53 0.00 0.00 176.83 177.08 3hot h HIS 254 N -0.93 0.00 0.00 2.24 3.86 -1.80 -2.59 115.15 115.93 3hot h HIS 254 Ca -0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 3hot h HIS 254 Cb 0.48 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.95 3hot h HIS 254 CO 0.07 0.02 -0.74 0.00 0.86 0.00 0.00 177.93 178.14 3hot h THR 255 N 0.00 0.00 -4.15 2.45 1.03 -1.40 -3.43 112.91 107.41 3hot h THR 255 Ca -0.00 -0.57 -0.53 0.00 -0.01 0.00 0.00 66.41 65.30 3hot h THR 255 Cb 0.14 1.10 0.14 0.00 -1.07 0.00 0.00 68.15 68.45 3hot h THR 255 CO 0.00 0.00 0.43 0.00 -0.01 0.00 0.00 175.52 175.94 3hot s ALA 256 N -3.20 2.31 0.24 0.00 0.00 -0.98 -4.88 121.76 115.25 3hot s ALA 256 Ca 0.05 0.91 0.04 0.00 0.00 0.00 0.00 51.96 52.96 3hot s ALA 256 Cb 0.13 -3.45 0.25 0.00 0.00 0.00 0.00 23.12 20.04 3hot s ALA 256 CO 0.74 -1.57 1.57 -0.09 0.00 0.00 0.00 175.76 176.41 3hot h ARG 257 N 0.18 0.28 -0.60 0.00 2.43 -1.91 -2.42 114.38 112.34 3hot h ARG 257 Ca -0.49 -0.18 0.08 0.00 -0.81 0.00 0.00 59.98 58.58 3hot h ARG 257 Cb 1.29 0.02 -0.10 0.00 -0.42 0.00 0.00 29.97 30.76 3hot h ARG 257 CO 0.52 0.78 -0.47 0.00 -1.51 0.00 0.00 179.97 179.29 3hot h ALA 258 N 1.18 -0.42 -0.40 2.80 0.00 -1.94 -2.01 119.26 118.47 3hot h ALA 258 Ca -0.00 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3hot h ALA 258 Cb 1.08 1.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.89 3hot h ALA 258 CO 0.09 -0.88 -0.07 0.28 0.00 0.00 0.00 179.25 178.67 3hot h VAL 259 N -0.23 1.27 -0.89 0.00 2.07 -1.84 -2.78 116.25 113.85 3hot h VAL 259 Ca 0.16 -1.15 0.22 0.00 0.82 0.00 0.00 66.70 66.76 3hot h VAL 259 Cb 0.56 1.20 -0.16 0.00 -1.52 0.00 0.00 31.29 31.37 3hot h VAL 259 CO -0.70 0.38 0.01 0.03 0.02 0.00 0.00 177.57 177.32 3hot h ARG 260 N 0.57 0.06 -0.27 1.57 3.08 -1.04 0.29 114.38 118.64 3hot h ARG 260 Ca 0.10 -0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.13 3hot h ARG 260 Cb 0.59 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 3hot h ARG 260 CO 0.03 0.04 0.08 -0.44 -1.07 0.00 0.00 179.97 178.62 3hot h ASP 261 N 0.06 0.40 0.29 7.04 3.45 -1.12 -1.09 116.42 125.46 3hot h ASP 261 Ca 0.51 -0.21 -0.02 0.00 0.43 0.00 0.00 57.03 57.74 3hot h ASP 261 Cb 0.97 -0.11 -0.00 0.00 -0.56 0.00 0.00 39.33 39.64 3hot h ASP 261 CO -0.80 0.50 -0.11 0.74 -1.57 0.00 0.00 179.24 177.99 3hot h THR 262 N 0.28 0.65 0.01 0.35 2.02 -0.78 -1.55 112.91 113.89 3hot h THR 262 Ca 0.09 -0.48 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 3hot h THR 262 Cb 0.25 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 3hot h THR 262 CO -0.00 0.11 -0.01 -0.07 0.37 0.00 0.00 175.52 175.92 3hot h LEU 263 N 0.00 -0.01 -2.27 2.58 3.38 -0.27 -3.23 115.31 115.48 3hot h LEU 263 Ca -0.00 -0.60 -0.01 0.00 0.09 0.00 0.00 57.88 57.36 3hot h LEU 263 Cb 0.29 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 3hot h LEU 263 CO 0.01 0.77 -0.05 1.05 0.09 0.00 0.00 178.44 180.32 3hot h GLU 264 N -0.98 0.00 0.00 1.13 4.11 -1.04 -1.61 114.58 116.18 3hot h GLU 264 Ca -0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.29 3hot h GLU 264 Cb 0.62 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.85 3hot h GLU 264 CO 0.00 0.05 -0.66 1.79 0.07 0.00 0.00 179.01 180.26 3hot h THR 265 N 0.00 1.20 0.00 -1.06 1.35 -1.42 -2.39 112.91 110.60 3hot h THR 265 Ca -0.00 -2.53 0.00 0.00 -0.55 0.00 0.00 66.41 63.33 3hot h THR 265 Cb 0.16 2.48 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 3hot h THR 265 CO 0.01 0.65 0.00 0.18 -0.25 0.00 0.00 175.52 176.11 3hot n LEU 266 N -3.35 0.00 -1.50 3.87 4.77 -0.62 -4.94 117.00 115.22 3hot n LEU 266 Ca 0.01 0.26 -0.07 0.00 -0.03 0.00 0.00 56.01 56.18 3hot n LEU 266 Cb 0.76 -0.26 0.01 0.00 -2.33 0.00 0.00 43.42 41.60 3hot n LEU 266 CO 0.42 -0.10 -0.09 -3.20 -1.33 0.00 0.00 177.39 173.09 3hot n ASN 267 N -1.26 -1.50 -4.61 -1.43 4.05 -0.90 -5.04 115.26 104.56 3hot n ASN 267 Ca 0.09 0.00 -0.30 0.00 0.45 0.00 0.00 54.58 54.83 3hot n ASN 267 Cb 0.14 -0.41 -0.09 0.00 1.23 0.00 0.00 39.78 40.65 3hot n ASN 267 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 177.26 174.47 3hot s TRP 268 N -0.34 2.80 -0.07 1.20 0.51 -1.17 -4.72 118.94 117.16 3hot s TRP 268 Ca 0.07 -0.12 -0.22 0.00 -2.12 0.00 0.00 56.10 53.70 3hot s TRP 268 Cb -0.01 -1.45 -0.04 0.00 -0.81 0.00 0.00 33.47 31.16 3hot s TRP 268 CO 0.15 0.45 0.64 -2.00 -0.51 0.00 0.00 176.95 175.68 3hot s GLU 269 N -2.29 4.40 -0.25 4.98 2.12 -0.43 -4.66 118.70 122.57 3hot s GLU 269 Ca 0.23 0.77 -0.19 0.00 0.36 0.00 0.00 54.97 56.13 3hot s GLU 269 Cb -0.11 -3.43 -0.02 0.00 0.26 0.00 0.00 34.13 30.82 3hot s GLU 269 CO 0.15 0.12 0.59 0.14 -0.54 0.00 0.00 175.26 175.72 3hot s VAL 270 N 0.63 5.02 0.28 3.70 -7.23 -1.26 0.19 120.40 121.74 3hot s VAL 270 Ca 0.34 1.05 -0.29 0.00 -1.81 0.00 0.00 61.98 61.27 3hot s VAL 270 Cb -0.17 -3.90 -0.10 0.00 0.56 0.00 0.00 36.38 32.78 3hot s VAL 270 CO 0.16 0.06 1.21 -0.76 -0.31 0.00 0.00 175.10 175.47 3hot s LEU 271 N 2.34 4.48 0.28 1.32 1.43 -0.26 -4.89 118.68 123.37 3hot s LEU 271 Ca 0.25 2.44 -0.29 0.00 -1.03 0.00 0.00 54.13 55.49 3hot s LEU 271 Cb -0.16 -3.63 -0.10 0.00 0.03 0.00 0.00 46.19 42.34 3hot s LEU 271 CO 0.09 -0.36 1.34 -2.84 0.23 0.00 0.00 176.35 174.80 3hot s PRO 272 N -1.28 4.35 0.05 1.29 0.02 -1.26 -4.76 135.00 133.41 3hot s PRO 272 Ca 0.49 2.19 0.05 0.00 0.02 0.00 0.00 61.00 63.75 3hot s PRO 272 Cb -0.36 -3.11 -0.03 0.00 0.02 0.00 0.00 34.50 31.03 3hot s PRO 272 CO 0.45 -0.25 -0.15 -1.58 -0.33 0.00 0.00 177.00 175.13 3hot s HIS 273 N -0.55 1.32 -0.03 6.54 2.46 -1.26 -5.01 115.29 118.76 3hot s HIS 273 Ca 0.53 -0.39 -0.09 0.00 0.47 0.00 0.00 55.06 55.58 3hot s HIS 273 Cb -0.39 -0.76 -0.05 0.00 -0.13 0.00 0.00 32.58 31.25 3hot s HIS 273 CO 0.47 0.06 0.27 0.00 -2.47 0.00 0.00 174.74 173.07 3hot s ALA 274 N -1.00 3.81 0.59 1.58 0.00 -1.26 -4.97 121.76 120.52 3hot s ALA 274 Ca 0.01 -0.49 -0.19 0.00 0.00 0.00 0.00 51.96 51.29 3hot s ALA 274 Cb -0.09 -2.13 -0.05 0.00 0.00 0.00 0.00 23.12 20.86 3hot s ALA 274 CO 0.02 0.59 1.05 0.00 0.00 0.00 0.00 175.76 177.42 3hot n ALA 275 N 1.58 0.45 -3.91 0.00 0.00 -1.26 -3.72 120.51 113.66 3hot n ALA 275 Ca -0.15 0.03 -0.30 0.00 0.00 0.00 0.00 53.44 53.02 3hot n ALA 275 Cb 0.53 -2.16 0.03 0.00 0.00 0.00 0.00 19.45 17.85 3hot n ALA 275 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3hot n TYR 276 N -1.62 -2.29 -2.76 0.00 4.02 -1.26 -4.91 117.16 108.34 3hot n TYR 276 Ca 0.13 0.90 -0.17 0.00 -0.01 0.00 0.00 57.90 58.76 3hot n TYR 276 Cb 0.47 -3.99 0.00 0.00 -0.02 0.00 0.00 39.34 35.80 3hot n TYR 276 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 3hot n SER 277 N -2.84 2.37 0.21 7.72 7.64 -1.24 -4.88 113.62 122.60 3hot n SER 277 Ca 0.03 -3.10 0.06 0.00 1.01 0.00 0.00 58.87 56.87 3hot n SER 277 Cb 0.53 -0.54 0.48 0.00 -1.01 0.00 0.00 64.21 63.68 3hot n SER 277 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3hot h PRO 278 N 2.90 0.00 0.00 1.43 0.13 -1.91 0.08 132.00 134.63 3hot h PRO 278 Ca 0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 3hot h PRO 278 Cb 1.01 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.14 3hot h PRO 278 CO 0.61 0.27 0.00 -0.40 -0.23 0.00 0.00 178.00 178.25 3hot n ASP 279 N -3.90 0.00 -0.65 1.44 5.75 -1.26 -0.72 116.55 117.21 3hot n ASP 279 Ca -0.02 0.37 0.07 0.00 -0.01 0.00 0.00 54.79 55.21 3hot n ASP 279 Cb 0.35 -0.40 0.11 0.00 -1.03 0.00 0.00 41.12 40.15 3hot n ASP 279 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3hot n LEU 280 N -1.40 2.53 -4.22 -2.12 7.99 0.01 -4.93 117.00 114.87 3hot n LEU 280 Ca 0.01 -1.37 -0.36 0.00 -0.01 0.00 0.00 56.01 54.29 3hot n LEU 280 Cb 0.04 -0.11 -0.13 0.00 -0.11 0.00 0.00 43.42 43.11 3hot n LEU 280 CO 0.03 0.54 -0.33 0.00 -1.51 0.00 0.00 177.39 176.12 3hot s ALA 281 N -1.10 2.87 0.27 -1.18 0.00 0.10 -5.00 121.76 117.72 3hot s ALA 281 Ca 0.21 -1.68 -0.03 0.00 0.00 0.00 0.00 51.96 50.46 3hot s ALA 281 Cb 0.13 -1.99 0.56 0.00 0.00 0.00 0.00 23.12 21.82 3hot s ALA 281 CO 0.18 -1.18 1.63 -1.35 0.00 0.00 0.00 175.76 175.03 3hot h PRO 282 N 8.07 0.11 -0.90 0.00 0.11 -1.92 0.54 132.00 138.01 3hot h PRO 282 Ca -0.24 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.96 3hot h PRO 282 Cb 1.08 -0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.09 3hot h PRO 282 CO 0.56 0.07 0.54 0.77 -0.21 0.00 0.00 178.00 179.74 3hot h SER 283 N 0.11 0.80 0.25 -2.05 0.02 -1.92 0.31 113.55 111.08 3hot h SER 283 Ca 0.48 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.46 3hot h SER 283 Cb 0.91 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 63.34 3hot h SER 283 CO -0.71 0.46 -0.12 0.44 -1.14 0.00 0.00 176.83 175.75 3hot h ASP 284 N 0.91 -0.29 1.78 3.07 3.32 -1.16 0.16 116.42 124.21 3hot h ASP 284 Ca 0.43 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.47 3hot h ASP 284 Cb 0.37 0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3hot h ASP 284 CO -0.24 0.18 0.00 0.10 -1.72 0.00 0.00 179.24 177.56 3hot h TYR 285 N -1.08 0.00 0.00 4.55 -0.00 -1.40 -3.11 116.97 115.92 3hot h TYR 285 Ca -0.03 0.00 -0.09 0.00 -0.00 0.00 0.00 58.73 58.60 3hot h TYR 285 Cb 0.28 0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.99 3hot h TYR 285 CO 0.00 0.00 -1.31 1.58 -0.00 0.00 0.00 178.16 178.43 3hot n HIS 286 N -2.82 0.00 0.15 0.10 -0.00 0.06 -4.58 115.22 108.12 3hot n HIS 286 Ca 0.04 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.66 3hot n HIS 286 Cb 0.49 -0.20 -0.06 0.00 -0.00 0.00 0.00 29.99 30.22 3hot n HIS 286 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 3hot h LEU 287 N -0.20 -0.37 -0.82 0.27 5.85 -1.25 -2.98 115.31 115.81 3hot h LEU 287 Ca -0.14 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 3hot h LEU 287 Cb 1.12 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.21 3hot h LEU 287 CO -0.09 0.09 0.43 -0.26 -0.34 0.00 0.00 178.44 178.28 3hot h PHE 288 N -1.01 1.15 -0.90 1.25 0.04 -0.84 -2.64 116.94 113.99 3hot h PHE 288 Ca -0.04 -0.04 0.16 0.00 2.80 0.00 0.00 57.97 60.85 3hot h PHE 288 Cb 0.48 -0.36 -0.10 0.00 2.20 0.00 0.00 35.95 38.17 3hot h PHE 288 CO 0.03 0.81 0.49 0.00 -0.60 0.00 0.00 178.31 179.04 3hot h ALA 289 N 1.23 1.39 -0.02 2.45 0.00 -1.60 0.77 119.26 123.48 3hot h ALA 289 Ca 0.29 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.28 3hot h ALA 289 Cb 0.06 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 3hot h ALA 289 CO -0.04 -0.08 0.01 1.03 0.00 0.00 0.00 179.25 180.17 3hot h SER 290 N 0.66 0.02 -0.91 0.00 0.87 -1.33 -3.21 113.55 109.66 3hot h SER 290 Ca 0.50 -0.06 0.08 0.00 -1.23 0.00 0.00 61.79 61.08 3hot h SER 290 Cb 0.72 -0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.61 3hot h SER 290 CO -0.37 0.08 0.57 -0.03 -0.53 0.00 0.00 176.83 176.54 3hot h MET 291 N -0.04 0.95 -0.65 2.24 -1.53 0.75 -2.60 114.93 114.05 3hot h MET 291 Ca 0.01 -0.06 0.11 0.00 -3.44 0.00 0.00 59.70 56.32 3hot h MET 291 Cb 0.06 -0.22 -0.08 0.00 -0.55 0.00 0.00 31.60 30.81 3hot h MET 291 CO -0.00 0.63 0.21 0.78 0.14 0.00 0.00 176.91 178.67 3hot h GLY 292 N 0.98 0.90 0.91 1.39 0.00 -0.71 0.36 103.07 106.90 3hot h GLY 292 Ca 0.42 -0.10 0.02 0.00 0.00 0.00 0.00 47.33 47.68 3hot h GLY 292 CO -0.21 -0.07 0.42 0.45 0.00 0.00 0.00 176.54 177.13 3hot h HIS 293 N 0.37 0.80 0.00 5.60 3.86 -1.57 -2.95 115.15 121.26 3hot h HIS 293 Ca 0.34 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.55 3hot h HIS 293 Cb 0.48 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 28.68 3hot h HIS 293 CO -0.20 0.47 -0.10 0.00 0.86 0.00 0.00 177.93 178.97 3hot h ALA 294 N 1.27 1.00 0.00 2.45 0.00 -0.50 -3.07 119.26 120.41 3hot h ALA 294 Ca 0.26 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3hot h ALA 294 Cb -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3hot h ALA 294 CO -0.09 0.12 -0.73 1.28 0.00 0.00 0.00 179.25 179.84 3hot n LEU 295 N -3.21 0.62 -4.77 0.00 4.77 0.95 -4.90 117.00 110.46 3hot n LEU 295 Ca 0.01 -0.05 -0.35 0.00 -0.03 0.00 0.00 56.01 55.59 3hot n LEU 295 Cb 0.39 -0.17 0.02 0.00 -2.33 0.00 0.00 43.42 41.33 3hot n LEU 295 CO 0.31 0.10 0.79 0.00 -1.33 0.00 0.00 177.39 177.26 3hot s ALA 296 N -3.07 2.60 0.00 -1.18 0.00 -1.15 -2.75 121.76 116.21 3hot s ALA 296 Ca 0.08 0.83 0.00 0.00 0.00 0.00 0.00 51.96 52.87 3hot s ALA 296 Cb 0.16 -3.38 0.00 0.00 0.00 0.00 0.00 23.12 19.90 3hot s ALA 296 CO 0.75 -1.00 0.00 -1.91 0.00 0.00 0.00 175.76 173.61 3hot n GLU 297 N -1.61 -0.80 -3.66 0.00 2.13 -0.36 -4.93 120.64 111.40 3hot n GLU 297 Ca 0.12 0.20 -0.33 0.00 0.66 0.00 0.00 57.16 57.81 3hot n GLU 297 Cb 0.51 -4.57 -0.05 0.00 0.27 0.00 0.00 31.44 27.59 3hot n GLU 297 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 3hot s GLN 298 N -1.33 3.66 -0.30 5.31 2.00 -1.11 -4.89 119.66 123.00 3hot s GLN 298 Ca 0.00 -0.00 0.01 0.00 -2.00 0.00 0.00 55.36 53.37 3hot s GLN 298 Cb 0.00 -2.96 0.15 0.00 0.80 0.00 0.00 33.01 31.00 3hot s GLN 298 CO 0.00 0.54 0.35 -0.98 -0.50 0.00 0.00 175.29 174.71 3hot s ARG 299 N -2.19 0.40 0.05 1.67 1.70 -1.26 -1.85 118.95 117.47 3hot s ARG 299 Ca 0.35 -0.11 -0.30 0.00 -0.47 0.00 0.00 55.73 55.20 3hot s ARG 299 Cb -0.13 -0.51 -0.04 0.00 -0.57 0.00 0.00 34.95 33.69 3hot s ARG 299 CO 0.20 -1.05 1.02 -0.06 -1.08 0.00 0.00 175.30 174.33 3hot s PHE 300 N 2.33 3.66 -0.88 5.89 0.08 -1.11 -4.94 117.98 123.00 3hot s PHE 300 Ca 0.10 1.66 0.23 0.00 0.12 0.00 0.00 56.93 59.04 3hot s PHE 300 Cb -0.13 -3.16 0.10 0.00 -0.57 0.00 0.00 43.02 39.26 3hot s PHE 300 CO -0.28 -0.19 1.11 -0.40 -0.10 0.00 0.00 175.22 175.36 3hot n ASP 301 N 3.50 0.70 -4.21 1.36 3.85 -1.26 -4.72 116.55 115.77 3hot n ASP 301 Ca 0.05 -0.51 -0.26 0.00 -0.71 0.00 0.00 54.79 53.36 3hot n ASP 301 Cb 0.49 0.69 -0.15 0.00 -1.35 0.00 0.00 41.12 40.81 3hot n ASP 301 CO 0.00 0.00 0.00 -0.94 -1.01 0.00 0.00 177.20 175.25 3hot s SER 302 N -3.26 2.32 0.35 -1.12 1.04 -1.26 -5.04 113.70 106.72 3hot s SER 302 Ca 0.08 -0.40 0.13 0.00 0.48 0.00 0.00 55.95 56.24 3hot s SER 302 Cb 0.16 -0.24 0.99 0.00 0.10 0.00 0.00 66.02 67.03 3hot s SER 302 CO 0.79 0.22 1.74 0.22 0.98 0.00 0.00 173.24 177.19 3hot h TYR 303 N 5.44 0.87 0.00 5.02 3.20 -2.01 0.07 116.97 129.56 3hot h TYR 303 Ca -0.39 0.03 -0.14 0.00 3.14 0.00 0.00 58.73 61.37 3hot h TYR 303 Cb 1.15 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 39.15 3hot h TYR 303 CO 0.42 0.05 -0.67 1.05 -1.64 0.00 0.00 178.16 177.37 3hot h GLU 304 N 0.49 0.00 -0.78 1.82 9.09 -1.99 -2.64 114.58 120.57 3hot h GLU 304 Ca 0.64 0.00 0.03 0.00 0.05 0.00 0.00 59.36 60.08 3hot h GLU 304 Cb 1.38 0.00 -0.04 0.00 -1.65 0.00 0.00 28.75 28.44 3hot h GLU 304 CO -0.42 0.67 0.52 0.77 0.05 0.00 0.00 179.01 180.60 3hot h SER 305 N 0.00 0.83 -0.78 3.06 0.02 -1.40 0.40 113.55 115.69 3hot h SER 305 Ca -0.01 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 60.95 3hot h SER 305 Cb 1.32 -0.19 -0.04 0.00 0.14 0.00 0.00 62.40 63.62 3hot h SER 305 CO 0.09 0.57 0.50 0.58 -1.14 0.00 0.00 176.83 177.43 3hot h VAL 306 N 0.97 1.15 -0.21 2.27 2.07 -1.20 -1.33 116.25 119.97 3hot h VAL 306 Ca 0.31 -0.34 -0.09 0.00 0.82 0.00 0.00 66.70 67.40 3hot h VAL 306 Cb 0.04 0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 29.87 3hot h VAL 306 CO -0.09 0.18 -0.20 0.50 0.02 0.00 0.00 177.57 177.98 3hot h LYS 307 N 1.00 0.51 -0.65 1.57 3.64 -0.73 0.12 116.57 122.03 3hot h LYS 307 Ca 0.30 -0.27 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 3hot h LYS 307 Cb -0.04 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.75 3hot h LYS 307 CO -0.09 0.85 0.43 -0.22 -2.27 0.00 0.00 179.45 178.15 3hot h LYS 308 N 0.19 0.80 0.20 1.90 3.64 -0.26 0.17 116.57 123.22 3hot h LYS 308 Ca 0.03 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 3hot h LYS 308 Cb 0.75 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3hot h LYS 308 CO 0.05 0.53 -0.10 2.35 -2.27 0.00 0.00 179.45 180.01 3hot h TRP 309 N 0.82 -0.25 0.00 1.91 7.01 -0.85 -0.98 115.95 123.61 3hot h TRP 309 Ca 0.25 -0.01 0.03 0.00 2.11 0.00 0.00 58.89 61.28 3hot h TRP 309 Cb 0.00 0.08 -0.05 0.00 -2.10 0.00 0.00 29.16 27.10 3hot h TRP 309 CO -0.00 0.13 -0.28 -0.07 -2.79 0.00 0.00 178.44 175.43 3hot h LEU 310 N -0.72 -0.83 -0.34 0.65 4.07 -0.63 0.20 115.31 117.70 3hot h LEU 310 Ca -0.03 0.11 0.07 0.00 0.08 0.00 0.00 57.88 58.12 3hot h LEU 310 Cb 0.50 0.34 -0.08 0.00 1.08 0.00 0.00 40.66 42.50 3hot h LEU 310 CO 0.05 -0.35 -0.17 0.44 -1.08 0.00 0.00 178.44 177.32 3hot h ASP 311 N -0.43 -0.58 0.43 -0.43 3.45 -0.68 -0.58 116.42 117.60 3hot h ASP 311 Ca 0.06 0.13 -0.08 0.00 0.43 0.00 0.00 57.03 57.58 3hot h ASP 311 Cb 0.51 0.32 -0.01 0.00 -0.56 0.00 0.00 39.33 39.59 3hot h ASP 311 CO -0.24 -0.21 -0.37 -0.33 -1.57 0.00 0.00 179.24 176.52 3hot h GLU 312 N -0.12 0.00 0.27 3.56 5.08 -0.96 -2.25 114.58 120.17 3hot h GLU 312 Ca 0.17 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 3hot h GLU 312 Cb 0.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3hot h GLU 312 CO -0.42 0.37 -0.13 2.35 -1.00 0.00 0.00 179.01 180.18 3hot h TRP 313 N 0.00 -0.34 -0.68 4.33 7.01 0.84 -0.72 115.95 126.40 3hot h TRP 313 Ca -0.00 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 60.98 3hot h TRP 313 Cb 0.68 0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.82 3hot h TRP 313 CO 0.00 0.00 0.38 0.74 -2.79 0.00 0.00 178.44 176.78 3hot h PHE 314 N -0.75 0.91 -0.36 2.65 0.04 -1.17 0.03 116.94 118.29 3hot h PHE 314 Ca -0.04 -0.01 -0.14 0.00 2.80 0.00 0.00 57.97 60.59 3hot h PHE 314 Cb 0.50 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.35 3hot h PHE 314 CO 0.03 0.62 -0.30 0.00 -0.60 0.00 0.00 178.31 178.06 3hot h ALA 315 N 1.48 0.52 -0.00 2.45 0.00 -1.40 -2.78 119.26 119.54 3hot h ALA 315 Ca 0.24 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3hot h ALA 315 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3hot h ALA 315 CO -0.04 0.56 -0.03 0.00 0.00 0.00 0.00 179.25 179.74 3hot n ALA 316 N -2.51 2.50 -1.62 0.00 0.00 -0.28 -4.81 120.51 113.79 3hot n ALA 316 Ca -0.02 -0.15 -0.35 0.00 0.00 0.00 0.00 53.44 52.92 3hot n ALA 316 Cb 0.49 -1.46 0.04 0.00 0.00 0.00 0.00 19.45 18.53 3hot n ALA 316 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3hot s LYS 317 N -2.70 2.82 1.13 0.00 -0.14 -0.03 -5.03 119.74 115.79 3hot s LYS 317 Ca 0.24 1.68 -0.17 0.00 -1.36 0.00 0.00 55.97 56.36 3hot s LYS 317 Cb 0.20 -1.93 0.25 0.00 -1.68 0.00 0.00 37.83 34.68 3hot s LYS 317 CO 0.49 -1.29 1.13 0.34 -0.76 0.00 0.00 175.35 175.25 3hot s ASP 318 N -1.93 1.53 -0.18 2.83 -1.08 -1.26 -5.01 116.67 111.57 3hot s ASP 318 Ca 0.74 0.72 -0.22 0.00 -0.52 0.00 0.00 52.55 53.26 3hot s ASP 318 Cb -0.27 -1.04 -0.22 0.00 -1.46 0.00 0.00 42.92 39.93 3hot s ASP 318 CO 0.36 -3.76 0.39 0.44 0.52 0.00 0.00 175.17 173.13 3hot h ASP 319 N -2.33 0.05 0.07 -0.34 5.19 -1.96 -3.38 116.42 113.72 3hot h ASP 319 Ca -0.47 -0.67 -0.01 0.00 -0.62 0.00 0.00 57.03 55.26 3hot h ASP 319 Cb 1.30 -0.02 -0.00 0.00 0.18 0.00 0.00 39.33 40.79 3hot h ASP 319 CO 0.40 1.39 -0.04 -0.08 -3.12 0.00 0.00 179.24 177.80 3hot h GLU 320 N -0.90 0.00 -0.99 3.56 4.81 -1.91 -2.94 114.58 116.20 3hot h GLU 320 Ca -0.26 0.00 0.20 0.00 -0.13 0.00 0.00 59.36 59.17 3hot h GLU 320 Cb 1.30 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 30.57 3hot h GLU 320 CO -0.13 0.04 0.59 0.35 -0.73 0.00 0.00 179.01 179.14 3hot h PHE 321 N 0.00 1.04 0.17 0.92 3.04 -1.94 0.11 116.94 120.28 3hot h PHE 321 Ca -0.00 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.98 3hot h PHE 321 Cb 0.08 -0.31 0.00 0.00 2.56 0.00 0.00 35.95 38.28 3hot h PHE 321 CO 0.00 0.20 -0.08 1.88 -2.02 0.00 0.00 178.31 178.29 3hot h TYR 322 N 0.72 -0.21 -0.97 0.41 -1.99 -1.76 -2.88 116.97 110.30 3hot h TYR 322 Ca 0.58 -0.00 0.14 0.00 2.00 0.00 0.00 58.73 61.45 3hot h TYR 322 Cb 0.94 0.07 -0.15 0.00 2.00 0.00 0.00 36.73 39.59 3hot h TYR 322 CO -0.01 0.22 -0.41 1.87 -0.00 0.00 0.00 178.16 179.83 3hot n TRP 323 N -4.93 -0.04 0.00 4.88 -0.00 -0.10 -0.73 117.44 116.52 3hot n TRP 323 Ca -0.08 1.19 -0.14 0.00 -0.00 0.00 0.00 57.50 58.47 3hot n TRP 323 Cb 0.26 -0.82 -0.09 0.00 -0.00 0.00 0.00 31.31 30.67 3hot n TRP 323 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3hot h ARG 324 N 0.00 -0.55 -0.77 5.87 3.08 -0.87 0.29 114.38 121.43 3hot h ARG 324 Ca 0.31 0.04 0.07 0.00 0.07 0.00 0.00 59.98 60.47 3hot h ARG 324 Cb 0.55 0.12 -0.10 0.00 0.08 0.00 0.00 29.97 30.63 3hot h ARG 324 CO -0.95 -0.37 -0.52 0.78 -1.07 0.00 0.00 179.97 177.84 3hot h GLY 325 N -0.57 -1.07 1.03 0.04 0.00 -0.70 0.10 103.07 101.91 3hot h GLY 325 Ca 0.04 0.82 -0.03 0.00 0.00 0.00 0.00 47.33 48.16 3hot h GLY 325 CO -0.42 -0.10 0.42 -2.22 0.00 0.00 0.00 176.54 174.22 3hot h ILE 326 N -0.08 1.26 0.00 2.60 1.08 -0.75 -2.55 117.51 119.06 3hot h ILE 326 Ca 0.12 -0.70 0.00 0.00 -0.39 0.00 0.00 64.86 63.89 3hot h ILE 326 Cb 0.40 0.17 0.00 0.00 -3.07 0.00 0.00 36.82 34.32 3hot h ILE 326 CO -0.77 0.30 0.00 1.41 -0.69 0.00 0.00 178.15 178.41 3hot n HIS 327 N -4.33 0.83 -0.34 1.37 8.25 0.97 -2.53 115.22 119.44 3hot n HIS 327 Ca 0.08 0.28 0.02 0.00 -0.26 0.00 0.00 57.72 57.84 3hot n HIS 327 Cb 0.13 -0.95 0.20 0.00 1.12 0.00 0.00 29.99 30.49 3hot n HIS 327 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 3hot h LYS 328 N 0.00 1.11 -0.50 -0.41 1.57 -0.59 -3.33 116.57 114.41 3hot h LYS 328 Ca 0.00 -0.07 0.10 0.00 -1.87 0.00 0.00 60.65 58.81 3hot h LYS 328 Cb 0.57 -0.25 -0.09 0.00 0.08 0.00 0.00 32.23 32.54 3hot h LYS 328 CO 0.00 0.73 -0.14 1.28 -0.57 0.00 0.00 179.45 180.75 3hot n LEU 329 N -4.48 -0.22 0.38 2.94 7.99 -1.05 -1.95 117.00 120.62 3hot n LEU 329 Ca 0.14 0.87 -0.15 0.00 -0.01 0.00 0.00 56.01 56.86 3hot n LEU 329 Cb 0.16 -0.25 -0.07 0.00 -0.11 0.00 0.00 43.42 43.15 3hot n LEU 329 CO 0.33 -0.82 0.40 -0.65 -1.51 0.00 0.00 177.39 175.14 3hot h PRO 330 N 0.00 -0.96 0.00 3.23 0.11 -1.84 0.17 132.00 132.71 3hot h PRO 330 Ca 0.23 0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.39 3hot h PRO 330 Cb 0.35 0.22 -0.00 0.00 0.11 0.00 0.00 31.00 31.68 3hot h PRO 330 CO -0.51 -0.64 -0.04 1.05 -0.21 0.00 0.00 178.00 177.65 3hot h GLU 331 N -1.26 0.00 -0.19 1.05 -0.00 -1.82 0.57 114.58 112.93 3hot h GLU 331 Ca -0.10 0.00 -0.06 0.00 -0.00 0.00 0.00 59.36 59.19 3hot h GLU 331 Cb 0.76 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.50 3hot h GLU 331 CO 0.17 0.04 -0.16 -0.09 -0.00 0.00 0.00 179.01 178.96 3hot h ARG 332 N 0.00 0.33 0.06 1.06 1.12 -0.99 0.26 114.38 116.21 3hot h ARG 332 Ca -0.00 -0.09 -0.00 0.00 -1.11 0.00 0.00 59.98 58.78 3hot h ARG 332 Cb 0.41 -0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.34 3hot h ARG 332 CO 0.01 0.49 -0.03 -1.49 -3.11 0.00 0.00 179.97 175.84 3hot h TRP 333 N 0.30 -0.07 -1.27 2.20 6.55 0.14 -3.19 115.95 120.62 3hot h TRP 333 Ca 0.06 -0.00 0.37 0.00 0.95 0.00 0.00 58.89 60.26 3hot h TRP 333 Cb 0.47 0.02 -0.05 0.00 -0.86 0.00 0.00 29.16 28.75 3hot h TRP 333 CO 0.01 0.53 1.14 0.93 -1.05 0.00 0.00 178.44 180.00 3hot h GLU 334 N -0.87 0.00 0.01 0.49 5.08 -0.63 0.74 114.58 119.41 3hot h GLU 334 Ca -0.01 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3hot h GLU 334 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 3hot h GLU 334 CO 0.01 0.00 -0.01 0.87 -1.00 0.00 0.00 179.01 178.89 3hot h LYS 335 N 0.00 -0.01 -1.00 2.33 1.57 -1.03 -2.80 116.57 115.62 3hot h LYS 335 Ca 0.60 0.00 0.20 0.00 -1.87 0.00 0.00 60.65 59.58 3hot h LYS 335 Cb 2.87 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 35.08 3hot h LYS 335 CO -0.01 0.79 0.60 0.00 -0.57 0.00 0.00 179.45 180.27 3hot h VAL 337 N 0.73 1.51 0.00 0.00 3.04 -1.35 -2.15 116.25 118.03 3hot h VAL 337 Ca 0.59 -2.72 0.00 0.00 -1.01 0.00 0.00 66.70 63.56 3hot h VAL 337 Cb 0.95 2.54 0.00 0.00 -2.01 0.00 0.00 31.29 32.77 3hot h VAL 337 CO -0.40 0.79 0.00 0.00 -1.01 0.00 0.00 177.57 176.95 3hot n ALA 338 N -2.46 1.49 1.08 3.17 0.00 -0.42 -1.12 120.51 122.24 3hot n ALA 338 Ca -0.04 0.13 0.12 0.00 0.00 0.00 0.00 53.44 53.64 3hot n ALA 338 Cb 0.84 -1.38 0.11 0.00 0.00 0.00 0.00 19.45 19.02 3hot n ALA 338 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3hot n SER 339 N -2.29 1.57 -3.59 0.00 7.64 -0.94 -4.96 113.62 111.05 3hot n SER 339 Ca 0.01 -1.23 -0.20 0.00 1.01 0.00 0.00 58.87 58.46 3hot n SER 339 Cb 0.18 0.41 0.05 0.00 -1.01 0.00 0.00 64.21 63.84 3hot n SER 339 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3hot n ASP 340 N -0.41 -2.19 -0.49 6.43 9.92 -0.28 -3.39 116.55 126.14 3hot n ASP 340 Ca 0.10 -0.77 -0.02 0.00 -0.53 0.00 0.00 54.79 53.56 3hot n ASP 340 Cb 0.41 -4.39 0.00 0.00 -0.64 0.00 0.00 41.12 36.51 3hot n ASP 340 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3hot n GLY 341 N -1.44 0.60 4.02 0.44 0.00 -0.83 -4.64 105.19 103.35 3hot n GLY 341 Ca -0.26 -0.70 -0.19 0.00 0.00 0.00 0.00 46.02 44.86 3hot n GLY 341 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hot s LYS 342 N -4.64 2.37 -0.48 1.61 2.20 -1.22 -4.43 119.74 115.15 3hot s LYS 342 Ca 0.02 -1.46 -0.26 0.00 -0.36 0.00 0.00 55.97 53.91 3hot s LYS 342 Cb -0.01 -2.64 0.03 0.00 -1.51 0.00 0.00 37.83 33.70 3hot s LYS 342 CO 0.03 -0.78 0.98 0.71 -0.36 0.00 0.00 175.35 175.93 3hot s TYR 343 N -2.65 2.88 0.59 4.03 1.51 -1.26 -4.85 117.35 117.60 3hot s TYR 343 Ca 0.61 0.41 -0.16 0.00 -1.01 0.00 0.00 57.07 56.92 3hot s TYR 343 Cb -0.07 -4.09 -0.04 0.00 -0.11 0.00 0.00 41.96 37.65 3hot s TYR 343 CO 0.38 -1.18 1.05 -0.59 -1.11 0.00 0.00 175.55 174.10 3hot s PHE 344 N 3.95 3.06 -0.40 2.71 -0.12 -1.26 -5.10 117.98 120.82 3hot s PHE 344 Ca 0.39 1.50 0.03 0.00 -0.05 0.00 0.00 56.93 58.80 3hot s PHE 344 Cb -0.10 -2.97 0.03 0.00 -0.63 0.00 0.00 43.02 39.35 3hot s PHE 344 CO 0.27 -1.02 0.60 0.39 -0.05 0.00 0.00 175.22 175.41