#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vhh n LYS 7 N 0.00 1.48 -3.63 1.96 4.01 -1.26 -4.78 118.16 115.94 2vhh n LYS 7 Ca 0.00 0.03 -0.12 0.00 -0.51 0.00 0.00 58.31 57.71 2vhh n LYS 7 Cb 0.00 -1.29 -0.12 0.00 -0.51 0.00 0.00 35.03 33.11 2vhh n LYS 7 CO 0.00 0.00 0.00 1.21 -1.11 0.00 0.00 177.40 177.50 2vhh s ASN 8 N -4.77 0.26 0.08 4.39 3.84 -1.26 -1.42 114.94 116.07 2vhh s ASN 8 Ca -0.11 0.61 -0.18 0.00 0.21 0.00 0.00 52.86 53.39 2vhh s ASN 8 Cb 0.04 0.87 -0.09 0.00 -0.55 0.00 0.00 41.25 41.53 2vhh s ASN 8 CO 0.41 -0.25 1.49 0.25 -2.79 0.00 0.00 177.10 176.21 2vhh h LEU 9 N 8.25 0.48 -0.40 3.21 5.85 -1.90 -2.31 115.31 128.49 2vhh h LEU 9 Ca -0.15 -0.35 0.06 0.00 0.84 0.00 0.00 57.88 58.28 2vhh h LEU 9 Cb 1.12 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.96 2vhh h LEU 9 CO 0.15 0.73 0.07 -1.13 -0.34 0.00 0.00 178.44 177.92 2vhh h ASN 10 N 0.24 -0.01 -0.25 1.25 -1.24 -1.97 -1.46 115.58 112.14 2vhh h ASN 10 Ca 0.07 0.07 -0.04 0.00 0.71 0.00 0.00 56.30 57.10 2vhh h ASN 10 Cb 0.51 0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.64 2vhh h ASN 10 CO 0.02 0.03 0.03 0.44 -1.29 0.00 0.00 177.43 176.67 2vhh h ASP 11 N 0.20 0.48 0.44 1.15 3.32 -1.96 -2.47 116.42 117.59 2vhh h ASP 11 Ca 0.19 -0.08 -0.19 0.00 0.02 0.00 0.00 57.03 56.97 2vhh h ASP 11 Cb 0.24 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 2vhh h ASP 11 CO -0.26 0.53 -0.80 0.00 -1.72 0.00 0.00 179.24 177.00 2vhh h LEU 13 N 0.17 0.72 0.00 0.00 3.38 -1.13 -3.14 115.31 115.31 2vhh h LEU 13 Ca -0.04 -0.64 0.00 0.00 0.09 0.00 0.00 57.88 57.29 2vhh h LEU 13 Cb 1.39 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2vhh h LEU 13 CO 0.13 1.24 0.00 -1.84 0.09 0.00 0.00 178.44 178.06 2vhh n GLU 14 N -4.14 0.29 0.00 1.13 0.28 -0.94 -2.42 120.64 114.83 2vhh n GLU 14 Ca -0.08 0.10 0.11 0.00 -0.16 0.00 0.00 57.16 57.13 2vhh n GLU 14 Cb 0.64 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 31.94 2vhh n GLU 14 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2vhh n LYS 15 N -1.27 0.21 0.00 3.44 4.81 -1.16 -4.55 118.16 119.63 2vhh n LYS 15 Ca 0.09 -0.04 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 2vhh n LYS 15 Cb 0.15 -1.53 0.00 0.00 0.02 0.00 0.00 35.03 33.67 2vhh n LYS 15 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2vhh n HIS 16 N -1.77 0.00 -4.87 5.64 8.25 -1.08 -5.05 115.22 116.33 2vhh n HIS 16 Ca 0.02 -0.04 -0.29 0.00 -0.26 0.00 0.00 57.72 57.14 2vhh n HIS 16 Cb 0.41 -0.00 -0.17 0.00 1.12 0.00 0.00 29.99 31.34 2vhh n HIS 16 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2vhh s LEU 17 N -0.09 1.90 0.05 2.41 1.43 -1.02 -5.10 118.68 118.26 2vhh s LEU 17 Ca 0.00 -0.46 -0.37 0.00 -1.03 0.00 0.00 54.13 52.27 2vhh s LEU 17 Cb 0.00 -1.18 -0.16 0.00 0.03 0.00 0.00 46.19 44.87 2vhh s LEU 17 CO 0.00 0.09 1.42 -2.65 0.23 0.00 0.00 176.35 175.45 2vhh n PRO 18 N 3.75 1.26 -0.66 1.29 -0.02 -1.26 -4.66 135.00 134.70 2vhh n PRO 18 Ca -0.20 0.46 0.51 0.00 -2.02 0.00 0.00 63.50 62.24 2vhh n PRO 18 Cb 0.52 -2.12 0.80 0.00 -0.02 0.00 0.00 33.50 32.69 2vhh n PRO 18 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2vhh h PRO 19 N 5.10 0.00 -0.17 0.52 0.11 -1.98 0.26 132.00 135.85 2vhh h PRO 19 Ca -0.47 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.55 2vhh h PRO 19 Cb 1.32 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.43 2vhh h PRO 19 CO 0.81 0.00 -0.24 0.22 -0.21 0.00 0.00 178.00 178.58 2vhh h ASP 20 N 0.00 0.51 0.25 -2.05 3.58 -2.01 -2.94 116.42 113.76 2vhh h ASP 20 Ca 0.91 -0.52 -0.30 0.00 0.42 0.00 0.00 57.03 57.54 2vhh h ASP 20 Cb 3.56 -0.14 0.03 0.00 1.72 0.00 0.00 39.33 44.49 2vhh h ASP 20 CO -0.07 0.93 -1.26 -0.33 -2.88 0.00 0.00 179.24 175.63 2vhh h GLU 21 N 0.10 0.54 -0.97 0.28 5.08 -0.95 -3.26 114.58 115.40 2vhh h GLU 21 Ca 0.02 -0.76 0.14 0.00 -1.00 0.00 0.00 59.36 57.75 2vhh h GLU 21 Cb 0.81 0.26 -0.08 0.00 0.50 0.00 0.00 28.75 30.24 2vhh h GLU 21 CO 0.06 1.34 0.62 1.25 -1.00 0.00 0.00 179.01 181.28 2vhh h LEU 22 N 0.22 0.84 -1.32 1.33 5.85 -1.09 0.20 115.31 121.34 2vhh h LEU 22 Ca -0.18 0.05 0.02 0.00 0.84 0.00 0.00 57.88 58.61 2vhh h LEU 22 Cb 1.94 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.82 2vhh h LEU 22 CO 0.23 0.42 0.47 0.11 -0.34 0.00 0.00 178.44 179.34 2vhh h LYS 23 N 0.89 0.89 0.08 1.25 1.57 -1.56 -0.93 116.57 118.76 2vhh h LYS 23 Ca 0.49 -0.05 -0.25 0.00 -1.87 0.00 0.00 60.65 58.97 2vhh h LYS 23 Cb 0.60 -0.20 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 2vhh h LYS 23 CO -0.26 0.59 -1.13 1.49 -0.57 0.00 0.00 179.45 179.56 2vhh h GLU 24 N 0.91 0.24 -0.12 3.15 4.57 -0.79 -2.49 114.58 120.05 2vhh h GLU 24 Ca 0.27 -0.37 -0.05 0.00 -1.18 0.00 0.00 59.36 58.03 2vhh h GLU 24 Cb -0.03 0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.69 2vhh h GLU 24 CO -0.07 1.15 -0.13 -0.24 -1.18 0.00 0.00 179.01 178.54 2vhh h VAL 25 N 0.09 1.35 -0.02 0.32 3.04 -0.73 -3.04 116.25 117.26 2vhh h VAL 25 Ca -0.10 -1.29 -0.05 0.00 -1.01 0.00 0.00 66.70 64.25 2vhh h VAL 25 Cb 1.84 1.93 -0.01 0.00 -2.01 0.00 0.00 31.29 33.04 2vhh h VAL 25 CO 0.18 0.37 -0.22 0.11 -1.01 0.00 0.00 177.57 177.00 2vhh h LYS 26 N -0.09 0.04 -0.59 4.17 1.57 -1.25 0.64 116.57 121.05 2vhh h LYS 26 Ca 0.02 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.72 2vhh h LYS 26 Cb 0.65 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 2vhh h LYS 26 CO 0.03 0.26 0.08 -0.09 -0.57 0.00 0.00 179.45 179.16 2vhh h ARG 27 N 0.04 0.99 0.00 3.15 2.43 -1.28 -0.34 114.38 119.37 2vhh h ARG 27 Ca 0.00 -0.28 -0.21 0.00 -0.81 0.00 0.00 59.98 58.69 2vhh h ARG 27 Cb 0.41 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.82 2vhh h ARG 27 CO 0.03 0.95 -1.25 -0.84 -1.51 0.00 0.00 179.97 177.34 2vhh h ILE 28 N 0.89 0.96 0.00 1.20 3.07 -1.34 -3.36 117.51 118.93 2vhh h ILE 28 Ca 0.18 -2.60 -0.01 0.00 1.55 0.00 0.00 64.86 63.98 2vhh h ILE 28 Cb 0.45 2.42 -0.00 0.00 -0.27 0.00 0.00 36.82 39.41 2vhh h ILE 28 CO 0.01 0.55 -0.05 -0.07 -1.05 0.00 0.00 178.15 177.54 2vhh h LEU 29 N 0.00 0.00 0.00 0.16 3.38 -0.90 -3.47 115.31 114.49 2vhh h LEU 29 Ca -0.14 -0.68 0.00 0.00 0.09 0.00 0.00 57.88 57.15 2vhh h LEU 29 Cb 1.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.48 2vhh h LEU 29 CO 0.08 0.87 0.00 -1.22 0.09 0.00 0.00 178.44 178.26 2vhh n TYR 30 N -4.65 0.00 -0.70 1.13 4.01 -0.14 -4.98 117.16 111.83 2vhh n TYR 30 Ca -0.08 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.73 2vhh n TYR 30 Cb 0.35 0.00 0.18 0.00 -0.31 0.00 0.00 39.34 39.55 2vhh n TYR 30 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2vhh n GLY 31 N 5.00 3.80 3.16 2.72 0.00 -1.25 -4.59 105.19 114.02 2vhh n GLY 31 Ca 0.00 -0.78 -0.13 0.00 0.00 0.00 0.00 46.02 45.11 2vhh n GLY 31 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2vhh s VAL 32 N -2.19 0.01 0.10 1.61 -7.23 -1.24 -4.71 120.40 106.76 2vhh s VAL 32 Ca 0.30 -0.11 -0.17 0.00 -1.81 0.00 0.00 61.98 60.19 2vhh s VAL 32 Cb 0.23 -0.41 -0.05 0.00 0.56 0.00 0.00 36.38 36.71 2vhh s VAL 32 CO 0.08 -0.06 1.57 1.05 -0.31 0.00 0.00 175.10 177.43 2vhh h GLU 33 N 5.40 0.52 -5.56 4.82 9.09 -1.81 -2.98 114.58 124.06 2vhh h GLU 33 Ca -0.27 -0.15 -0.45 0.00 0.05 0.00 0.00 59.36 58.55 2vhh h GLU 33 Cb 1.19 -0.06 -0.20 0.00 -1.65 0.00 0.00 28.75 28.03 2vhh h GLU 33 CO 0.35 0.63 -0.78 -1.83 0.05 0.00 0.00 179.01 177.43 2vhh s GLU 34 N -5.12 0.96 0.17 1.06 1.03 -1.26 -4.37 118.70 111.17 2vhh s GLU 34 Ca -0.13 -1.11 -0.34 0.00 0.03 0.00 0.00 54.97 53.42 2vhh s GLU 34 Cb 0.09 -0.98 -0.14 0.00 -0.80 0.00 0.00 34.13 32.29 2vhh s GLU 34 CO 0.76 0.21 1.47 -0.25 -1.33 0.00 0.00 175.26 176.11 2vhh n ASP 35 N 0.96 2.64 -4.44 0.83 10.43 -1.26 -4.92 116.55 120.79 2vhh n ASP 35 Ca -0.19 1.11 -0.44 0.00 2.57 0.00 0.00 54.79 57.84 2vhh n ASP 35 Cb 0.55 -1.37 -0.01 0.00 1.84 0.00 0.00 41.12 42.13 2vhh n ASP 35 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 2vhh s GLN 36 N 0.42 3.97 0.15 -1.24 -0.21 -1.26 -5.01 119.66 116.48 2vhh s GLN 36 Ca 0.77 -2.48 -0.30 0.00 0.02 0.00 0.00 55.36 53.37 2vhh s GLN 36 Cb -0.73 -4.93 -0.07 0.00 1.00 0.00 0.00 33.01 28.28 2vhh s GLN 36 CO 0.43 -1.67 1.00 0.99 -2.12 0.00 0.00 175.29 173.92 2vhh s THR 37 N 1.37 4.25 -0.13 -0.19 2.01 -1.26 -0.81 115.64 120.88 2vhh s THR 37 Ca 0.38 1.95 -0.13 0.00 0.31 0.00 0.00 61.69 64.19 2vhh s THR 37 Cb -0.05 -4.24 -0.05 0.00 0.01 0.00 0.00 72.50 68.18 2vhh s THR 37 CO -0.04 0.34 0.28 -0.22 -0.69 0.00 0.00 174.62 174.29 2vhh s LEU 38 N -0.31 4.29 0.04 4.42 0.20 -0.20 -4.76 118.68 122.36 2vhh s LEU 38 Ca 0.47 0.55 -0.25 0.00 0.69 0.00 0.00 54.13 55.59 2vhh s LEU 38 Cb -0.25 -2.35 -0.05 0.00 -0.43 0.00 0.00 46.19 43.10 2vhh s LEU 38 CO 0.32 0.18 0.75 -0.70 -0.29 0.00 0.00 176.35 176.60 2vhh s GLU 39 N 0.05 4.48 0.05 1.98 2.56 -1.26 -4.29 118.70 122.27 2vhh s GLU 39 Ca 0.17 1.04 0.05 0.00 0.00 0.00 0.00 54.97 56.22 2vhh s GLU 39 Cb -0.13 -3.36 -0.04 0.00 2.00 0.00 0.00 34.13 32.60 2vhh s GLU 39 CO 0.05 0.30 -0.08 -0.51 -0.56 0.00 0.00 175.26 174.46 2vhh s LEU 40 N -0.08 3.12 0.44 2.70 1.43 -1.26 -5.07 118.68 119.96 2vhh s LEU 40 Ca 0.38 -0.25 -0.24 0.00 -1.03 0.00 0.00 54.13 52.99 2vhh s LEU 40 Cb -0.20 -1.85 -0.10 0.00 0.03 0.00 0.00 46.19 44.07 2vhh s LEU 40 CO 0.22 0.23 1.11 -2.65 0.23 0.00 0.00 176.35 175.50 2vhh n PRO 41 N 1.15 1.53 0.21 1.29 -0.02 -1.26 -4.86 135.00 133.04 2vhh n PRO 41 Ca -0.14 0.55 0.06 0.00 -2.02 0.00 0.00 63.50 61.94 2vhh n PRO 41 Cb 0.52 -2.19 0.45 0.00 -0.02 0.00 0.00 33.50 32.26 2vhh n PRO 41 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2vhh h THR 42 N 1.65 1.03 -0.45 3.45 1.03 -1.98 -2.58 112.91 115.06 2vhh h THR 42 Ca -0.46 -1.09 -0.12 0.00 -0.01 0.00 0.00 66.41 64.73 2vhh h THR 42 Cb 1.32 1.62 -0.02 0.00 -1.07 0.00 0.00 68.15 70.01 2vhh h THR 42 CO 0.57 0.29 -0.19 0.77 -0.01 0.00 0.00 175.52 176.96 2vhh h SER 43 N 0.00 0.89 -0.56 0.00 4.64 -1.94 -1.47 113.55 115.12 2vhh h SER 43 Ca -0.00 -0.31 -0.05 0.00 -0.47 0.00 0.00 61.79 60.95 2vhh h SER 43 Cb 0.59 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.42 2vhh h SER 43 CO 0.04 1.06 0.14 0.00 -0.87 0.00 0.00 176.83 177.20 2vhh h ALA 44 N 1.01 0.73 0.00 5.18 0.00 -1.75 -1.84 119.26 122.58 2vhh h ALA 44 Ca 0.11 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2vhh h ALA 44 Cb 0.72 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2vhh h ALA 44 CO 0.06 0.42 -0.24 0.87 0.00 0.00 0.00 179.25 180.36 2vhh h LYS 45 N 0.79 0.00 -0.05 0.00 1.57 -1.34 -2.62 116.57 114.92 2vhh h LYS 45 Ca 0.18 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.84 2vhh h LYS 45 Cb 0.33 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.65 2vhh h LYS 45 CO 0.00 0.24 -0.41 -0.44 -0.57 0.00 0.00 179.45 178.27 2vhh h ASP 46 N 0.00 0.44 -0.88 0.86 3.32 -0.82 -1.54 116.42 117.81 2vhh h ASP 46 Ca -0.00 -0.69 0.09 0.00 0.02 0.00 0.00 57.03 56.45 2vhh h ASP 46 Cb 0.46 -0.13 -0.06 0.00 0.22 0.00 0.00 39.33 39.81 2vhh h ASP 46 CO 0.03 1.07 0.57 0.40 -1.72 0.00 0.00 179.24 179.59 2vhh h ILE 47 N -0.15 0.98 -0.21 0.35 2.04 -1.34 -1.16 117.51 118.03 2vhh h ILE 47 Ca -0.04 -0.30 -0.05 0.00 1.00 0.00 0.00 64.86 65.47 2vhh h ILE 47 Cb 1.09 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 2vhh h ILE 47 CO 0.08 0.16 -0.07 0.00 0.00 0.00 0.00 178.15 178.33 2vhh h ALA 48 N 1.56 0.29 -0.09 1.87 0.00 -1.40 -2.53 119.26 118.95 2vhh h ALA 48 Ca 0.40 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2vhh h ALA 48 Cb 0.38 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2vhh h ALA 48 CO -0.17 0.09 -0.03 1.49 0.00 0.00 0.00 179.25 180.63 2vhh h GLU 49 N 0.12 0.18 -0.60 0.00 4.81 -0.91 -0.16 114.58 118.03 2vhh h GLU 49 Ca 0.05 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 2vhh h GLU 49 Cb 0.53 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.87 2vhh h GLU 49 CO 0.02 0.51 0.40 1.96 -0.73 0.00 0.00 179.01 181.17 2vhh h GLN 50 N -0.16 0.75 -0.31 1.92 4.20 -1.31 -2.34 115.11 117.85 2vhh h GLN 50 Ca 0.02 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2vhh h GLN 50 Cb 0.45 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.06 2vhh h GLN 50 CO 0.01 0.50 0.00 0.09 -0.67 0.00 0.00 178.83 178.76 2vhh n ASN 51 N -4.45 2.72 -2.53 1.46 3.02 -0.95 -4.97 115.26 109.55 2vhh n ASN 51 Ca 0.06 -1.89 -0.17 0.00 -0.03 0.00 0.00 54.58 52.55 2vhh n ASN 51 Cb 0.08 -0.20 0.04 0.00 -0.61 0.00 0.00 39.78 39.09 2vhh n ASN 51 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2vhh n GLY 52 N 1.35 -0.20 3.33 7.41 0.00 -0.18 -5.03 105.19 111.86 2vhh n GLY 52 Ca 0.18 -0.05 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 2vhh n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2vhh s PHE 53 N -3.11 1.94 0.55 1.61 -0.71 -0.54 -4.68 117.98 113.03 2vhh s PHE 53 Ca 0.32 -0.42 -0.19 0.00 -1.04 0.00 0.00 56.93 55.59 2vhh s PHE 53 Cb -0.14 -1.03 -0.06 0.00 -1.21 0.00 0.00 43.02 40.59 2vhh s PHE 53 CO 0.39 0.29 1.14 -0.51 -1.34 0.00 0.00 175.22 175.19 2vhh s ASP 54 N -2.21 5.68 -0.03 1.98 1.01 -0.14 -4.34 116.67 118.62 2vhh s ASP 54 Ca 0.12 2.20 -0.01 0.00 0.71 0.00 0.00 52.55 55.57 2vhh s ASP 54 Cb -0.09 -2.58 0.03 0.00 1.01 0.00 0.00 42.92 41.29 2vhh s ASP 54 CO 0.06 -1.25 0.03 -0.51 0.21 0.00 0.00 175.17 173.71 2vhh s ILE 55 N -1.74 -0.00 -0.07 0.77 2.07 -1.26 -0.81 121.20 120.15 2vhh s ILE 55 Ca 0.73 0.25 -0.03 0.00 -1.41 0.00 0.00 60.65 60.20 2vhh s ILE 55 Cb -0.25 -0.17 0.04 0.00 0.13 0.00 0.00 42.46 42.22 2vhh s ILE 55 CO 0.28 0.14 0.13 -0.54 -1.91 0.00 0.00 174.94 173.03 2vhh s LYS 56 N 1.46 0.03 -0.11 3.50 1.02 -0.91 -5.00 119.74 119.73 2vhh s LYS 56 Ca -0.04 0.43 -0.01 0.00 0.02 0.00 0.00 55.97 56.37 2vhh s LYS 56 Cb -0.13 -0.26 -0.03 0.00 -0.52 0.00 0.00 37.83 36.89 2vhh s LYS 56 CO -0.03 -0.24 -0.06 0.20 -0.92 0.00 0.00 175.35 174.30 2vhh s GLY 57 N 1.74 1.69 0.13 -3.33 0.00 -1.25 -1.40 107.32 104.89 2vhh s GLY 57 Ca -0.02 -0.86 0.02 0.00 0.00 0.00 0.00 44.72 43.86 2vhh s GLY 57 CO -0.05 -0.37 -0.05 -0.19 0.00 0.00 0.00 173.10 172.43 2vhh s TYR 58 N -0.21 1.04 -0.04 1.90 1.51 -0.49 -1.04 117.35 120.02 2vhh s TYR 58 Ca 0.03 -0.92 0.02 0.00 -1.01 0.00 0.00 57.07 55.19 2vhh s TYR 58 Cb -0.13 -0.58 0.01 0.00 -0.11 0.00 0.00 41.96 41.15 2vhh s TYR 58 CO 0.03 -0.13 -0.09 0.50 -1.11 0.00 0.00 175.55 174.74 2vhh s ARG 59 N -3.84 1.16 0.08 -0.62 3.52 0.01 -1.05 118.95 118.21 2vhh s ARG 59 Ca 0.16 -0.30 0.08 0.00 -0.13 0.00 0.00 55.73 55.54 2vhh s ARG 59 Cb 0.05 -1.05 -0.04 0.00 -1.56 0.00 0.00 34.95 32.36 2vhh s ARG 59 CO -0.02 0.05 -0.16 -0.06 -0.81 0.00 0.00 175.30 174.31 2vhh s PHE 60 N 0.49 2.61 0.31 5.12 0.40 0.88 -4.75 117.98 123.03 2vhh s PHE 60 Ca -0.08 -0.23 0.03 0.00 -0.60 0.00 0.00 56.93 56.05 2vhh s PHE 60 Cb -0.12 -1.42 -0.05 0.00 0.51 0.00 0.00 43.02 41.94 2vhh s PHE 60 CO 0.01 0.34 0.11 -0.08 0.70 0.00 0.00 175.22 176.31 2vhh s THR 61 N -1.07 0.63 0.24 0.64 -1.32 -1.26 -3.38 115.64 110.12 2vhh s THR 61 Ca 0.17 -2.00 0.01 0.00 -1.21 0.00 0.00 61.69 58.66 2vhh s THR 61 Cb -0.11 -2.59 -0.05 0.00 -1.51 0.00 0.00 72.50 68.25 2vhh s THR 61 CO 0.09 0.00 0.10 0.00 -2.21 0.00 0.00 174.62 172.60 2vhh s ALA 62 N -3.53 1.57 0.50 11.08 0.00 -1.26 -4.80 121.76 125.32 2vhh s ALA 62 Ca 0.35 -1.81 -0.15 0.00 0.00 0.00 0.00 51.96 50.34 2vhh s ALA 62 Cb 0.06 1.10 -0.07 0.00 0.00 0.00 0.00 23.12 24.21 2vhh s ALA 62 CO 0.15 -0.48 0.94 -0.98 0.00 0.00 0.00 175.76 175.39 2vhh s ARG 63 N -4.06 3.90 0.22 0.00 1.70 -1.26 -5.02 118.95 114.43 2vhh s ARG 63 Ca 0.37 0.84 -0.30 0.00 -0.47 0.00 0.00 55.73 56.18 2vhh s ARG 63 Cb 0.08 -2.18 -0.09 0.00 -0.57 0.00 0.00 34.95 32.18 2vhh s ARG 63 CO 0.13 -0.24 1.34 -2.00 -1.08 0.00 0.00 175.30 173.44 2vhh s GLU 64 N -4.09 4.36 0.12 3.89 2.56 -1.26 -5.00 118.70 119.29 2vhh s GLU 64 Ca 0.57 2.11 0.06 0.00 0.00 0.00 0.00 54.97 57.72 2vhh s GLU 64 Cb -0.10 -3.17 -0.04 0.00 2.00 0.00 0.00 34.13 32.82 2vhh s GLU 64 CO 0.33 -0.28 -0.03 -1.21 -0.56 0.00 0.00 175.26 173.50 2vhh s GLU 65 N -0.27 2.37 0.11 4.30 2.02 -1.26 -5.05 118.70 120.92 2vhh s GLU 65 Ca 0.57 -0.97 0.23 0.00 0.02 0.00 0.00 54.97 54.81 2vhh s GLU 65 Cb -0.38 -2.41 0.02 0.00 0.10 0.00 0.00 34.13 31.46 2vhh s GLU 65 CO 0.40 0.51 1.00 0.00 0.02 0.00 0.00 175.26 177.19 2vhh n GLN 66 N 0.42 0.47 0.00 1.61 10.64 -1.26 -4.15 117.38 125.10 2vhh n GLN 66 Ca -0.11 0.03 0.08 0.00 -1.83 0.00 0.00 57.00 55.17 2vhh n GLN 66 Cb 0.53 -1.69 0.06 0.00 -0.86 0.00 0.00 30.24 28.28 2vhh n GLN 66 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 2vhh n THR 67 N -2.31 0.00 -3.72 -0.39 -2.24 -1.26 -4.95 114.28 99.41 2vhh n THR 67 Ca 0.01 -0.49 -0.13 0.00 -2.27 0.00 0.00 64.05 61.17 2vhh n THR 67 Cb 0.50 1.31 -0.14 0.00 -2.10 0.00 0.00 70.33 69.91 2vhh n THR 67 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2vhh s ARG 68 N -1.32 0.16 0.82 -0.78 3.52 -1.26 -5.15 118.95 114.95 2vhh s ARG 68 Ca 0.18 0.53 -0.10 0.00 -0.13 0.00 0.00 55.73 56.20 2vhh s ARG 68 Cb 0.13 -0.13 0.08 0.00 -1.56 0.00 0.00 34.95 33.47 2vhh s ARG 68 CO 0.21 -0.19 1.10 0.15 -0.81 0.00 0.00 175.30 175.76 2vhh s LYS 69 N 1.46 1.88 0.15 5.12 1.02 -1.26 -4.20 119.74 123.91 2vhh s LYS 69 Ca -0.07 1.23 -0.31 0.00 0.02 0.00 0.00 55.97 56.84 2vhh s LYS 69 Cb -0.11 -1.85 -0.11 0.00 -0.52 0.00 0.00 37.83 35.24 2vhh s LYS 69 CO -0.08 -1.93 1.75 1.03 -0.92 0.00 0.00 175.35 175.20 2vhh s ARG 70 N -4.84 4.15 -1.00 1.68 0.52 -1.26 -4.93 118.95 113.26 2vhh s ARG 70 Ca 0.63 2.55 -0.03 0.00 -0.52 0.00 0.00 55.73 58.36 2vhh s ARG 70 Cb -0.19 -3.36 0.28 0.00 0.52 0.00 0.00 34.95 32.21 2vhh s ARG 70 CO 0.57 -0.78 1.21 0.54 0.02 0.00 0.00 175.30 176.86 2vhh n ARG 71 N 4.87 3.76 -2.80 3.54 1.74 -1.26 -5.03 116.66 121.48 2vhh n ARG 71 Ca 0.16 -4.55 -0.41 0.00 -0.77 0.00 0.00 57.85 52.29 2vhh n ARG 71 Cb 0.37 -2.47 -0.04 0.00 -1.02 0.00 0.00 32.46 29.30 2vhh n ARG 71 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2vhh s ILE 72 N -2.27 4.75 -0.02 0.55 1.09 -1.26 -1.27 121.20 122.77 2vhh s ILE 72 Ca 0.32 1.91 -0.03 0.00 -1.10 0.00 0.00 60.65 61.76 2vhh s ILE 72 Cb 0.02 -4.25 0.00 0.00 -1.06 0.00 0.00 42.46 37.17 2vhh s ILE 72 CO 0.02 0.26 0.07 -0.69 -0.10 0.00 0.00 174.94 174.50 2vhh s VAL 73 N 0.47 0.02 -0.18 2.92 1.01 0.31 -4.98 120.40 119.96 2vhh s VAL 73 Ca 0.46 -0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.28 2vhh s VAL 73 Cb -0.21 -0.16 0.00 0.00 0.00 0.00 0.00 36.38 36.01 2vhh s VAL 73 CO 0.27 -0.09 -0.13 -0.13 0.00 0.00 0.00 175.10 175.02 2vhh s ARG 74 N -0.24 3.20 -0.07 2.72 0.52 -1.26 -0.63 118.95 123.19 2vhh s ARG 74 Ca -0.03 -0.74 0.02 0.00 -0.52 0.00 0.00 55.73 54.46 2vhh s ARG 74 Cb -0.02 -2.72 -0.03 0.00 0.52 0.00 0.00 34.95 32.71 2vhh s ARG 74 CO 0.00 -0.10 -0.11 0.14 0.02 0.00 0.00 175.30 175.25 2vhh s VAL 75 N 1.12 3.32 -0.22 3.52 -7.23 -0.68 -0.09 120.40 120.13 2vhh s VAL 75 Ca 0.01 -0.62 -0.02 0.00 -1.81 0.00 0.00 61.98 59.54 2vhh s VAL 75 Cb -0.14 -2.34 0.01 0.00 0.56 0.00 0.00 36.38 34.46 2vhh s VAL 75 CO -0.04 0.58 -0.08 -0.83 -0.31 0.00 0.00 175.10 174.42 2vhh s GLY 76 N -0.59 1.57 -0.25 2.32 0.00 0.07 -1.47 107.32 108.96 2vhh s GLY 76 Ca 0.09 -1.26 -0.12 0.00 0.00 0.00 0.00 44.72 43.43 2vhh s GLY 76 CO 0.01 0.43 0.21 0.00 0.00 0.00 0.00 173.10 173.75 2vhh s ALA 77 N 1.40 3.58 -0.39 3.20 0.00 -0.41 -1.36 121.76 127.78 2vhh s ALA 77 Ca 0.04 -0.89 -0.12 0.00 0.00 0.00 0.00 51.96 50.99 2vhh s ALA 77 Cb -0.15 -2.43 0.03 0.00 0.00 0.00 0.00 23.12 20.58 2vhh s ALA 77 CO -0.06 -0.33 0.24 0.42 0.00 0.00 0.00 175.76 176.04 2vhh s ILE 78 N 1.34 4.73 -0.20 0.00 1.01 -0.62 -0.92 121.20 126.55 2vhh s ILE 78 Ca 0.09 -0.89 -0.10 0.00 0.00 0.00 0.00 60.65 59.76 2vhh s ILE 78 Cb -0.14 -3.68 -0.05 0.00 0.01 0.00 0.00 42.46 38.60 2vhh s ILE 78 CO 0.07 -0.30 0.12 0.00 0.00 0.00 0.00 174.94 174.82 2vhh s GLN 79 N 1.57 4.14 0.14 2.79 -2.07 -0.71 -3.46 119.66 122.06 2vhh s GLN 79 Ca 0.03 -0.24 -0.05 0.00 -1.82 0.00 0.00 55.36 53.28 2vhh s GLN 79 Cb -0.20 -3.38 -0.02 0.00 -1.09 0.00 0.00 33.01 28.32 2vhh s GLN 79 CO 0.07 0.30 0.15 0.54 -1.32 0.00 0.00 175.29 175.04 2vhh s ASN 80 N 0.33 0.20 0.33 12.60 4.22 -1.26 -1.48 114.94 129.88 2vhh s ASN 80 Ca 0.07 -1.02 0.07 0.00 -2.14 0.00 0.00 52.86 49.84 2vhh s ASN 80 Cb -0.11 0.35 -0.01 0.00 1.28 0.00 0.00 41.25 42.76 2vhh s ASN 80 CO -0.02 -0.79 0.45 -0.94 -2.04 0.00 0.00 177.10 173.77 2vhh s SER 81 N -3.00 5.97 1.12 3.54 1.04 -1.25 -2.70 113.70 118.42 2vhh s SER 81 Ca 0.19 -0.18 -0.14 0.00 0.48 0.00 0.00 55.95 56.30 2vhh s SER 81 Cb 0.06 -1.26 0.25 0.00 0.10 0.00 0.00 66.02 65.17 2vhh s SER 81 CO -0.00 -0.40 1.06 -0.51 0.98 0.00 0.00 173.24 174.36 2vhh s ILE 82 N -2.17 1.91 0.16 -1.02 2.07 -1.26 -4.98 121.20 115.90 2vhh s ILE 82 Ca 0.44 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.68 2vhh s ILE 82 Cb -0.09 -2.30 0.00 0.00 0.13 0.00 0.00 42.46 40.19 2vhh s ILE 82 CO 0.31 0.00 0.00 0.52 -1.91 0.00 0.00 174.94 173.86 2vhh n VAL 83 N -4.65 0.60 -3.97 4.00 0.31 -1.26 -5.07 118.33 108.30 2vhh n VAL 83 Ca 0.05 0.20 -0.23 0.00 -0.01 0.00 0.00 64.34 64.36 2vhh n VAL 83 Cb 0.57 -1.04 -0.06 0.00 -0.91 0.00 0.00 33.84 32.40 2vhh n VAL 83 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 2vhh s ILE 84 N -1.85 2.90 0.49 2.52 -4.36 -1.26 -5.10 121.20 114.55 2vhh s ILE 84 Ca 0.00 -1.58 -0.23 0.00 -0.26 0.00 0.00 60.65 58.57 2vhh s ILE 84 Cb 0.00 -3.02 -0.07 0.00 1.25 0.00 0.00 42.46 40.62 2vhh s ILE 84 CO 0.00 -0.12 1.30 -2.65 0.24 0.00 0.00 174.94 173.72 2vhh n PRO 85 N -1.27 1.80 0.00 0.37 -0.02 -1.26 -4.84 135.00 129.78 2vhh n PRO 85 Ca -0.01 0.65 0.01 0.00 -2.02 0.00 0.00 63.50 62.13 2vhh n PRO 85 Cb 0.62 -2.47 0.07 0.00 -0.02 0.00 0.00 33.50 31.69 2vhh n PRO 85 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2vhh n THR 86 N -0.66 1.25 -2.80 3.45 -2.24 -1.26 -3.22 114.28 108.80 2vhh n THR 86 Ca 0.08 0.31 -0.36 0.00 -2.27 0.00 0.00 64.05 61.82 2vhh n THR 86 Cb 0.42 -1.26 -0.00 0.00 -2.10 0.00 0.00 70.33 67.39 2vhh n THR 86 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2vhh n THR 87 N -1.34 4.91 -3.78 4.28 -2.24 -1.26 -4.97 114.28 109.87 2vhh n THR 87 Ca 0.01 -5.82 -0.09 0.00 -2.27 0.00 0.00 64.05 55.88 2vhh n THR 87 Cb 0.03 -1.56 -0.06 0.00 -2.10 0.00 0.00 70.33 66.64 2vhh n THR 87 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2vhh s ALA 88 N -3.88 -0.47 0.08 6.98 0.00 -1.20 -5.12 121.76 118.16 2vhh s ALA 88 Ca 0.42 -0.41 -0.37 0.00 0.00 0.00 0.00 51.96 51.60 2vhh s ALA 88 Cb 0.21 0.56 -0.17 0.00 0.00 0.00 0.00 23.12 23.72 2vhh s ALA 88 CO -0.11 -0.55 1.30 -0.35 0.00 0.00 0.00 175.76 176.05 2vhh n PRO 89 N -0.11 1.05 -0.26 0.00 -0.04 -1.26 -4.78 135.00 129.60 2vhh n PRO 89 Ca -0.15 0.38 0.14 0.00 -0.04 0.00 0.00 63.50 63.82 2vhh n PRO 89 Cb 0.63 -2.00 0.42 0.00 -0.04 0.00 0.00 33.50 32.51 2vhh n PRO 89 CO 0.00 0.00 0.00 -0.84 -0.04 0.00 0.00 175.50 174.62 2vhh h ILE 90 N 3.25 0.79 -0.63 0.52 -0.00 -1.96 -1.18 117.51 118.30 2vhh h ILE 90 Ca -0.48 -0.21 -0.07 0.00 -0.00 0.00 0.00 64.86 64.11 2vhh h ILE 90 Cb 1.34 0.13 -0.03 0.00 -0.00 0.00 0.00 36.82 38.27 2vhh h ILE 90 CO 0.76 0.11 0.11 -0.33 -0.00 0.00 0.00 178.15 178.80 2vhh h GLU 91 N 0.61 1.01 -0.36 0.16 5.08 -1.94 -1.53 114.58 117.61 2vhh h GLU 91 Ca 0.45 -0.25 -0.14 0.00 -1.00 0.00 0.00 59.36 58.42 2vhh h GLU 91 Cb 0.84 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 2vhh h GLU 91 CO -0.20 0.92 -0.34 0.87 -1.00 0.00 0.00 179.01 179.27 2vhh h LYS 92 N 0.95 0.82 -0.22 2.33 6.56 -1.60 -1.88 116.57 123.54 2vhh h LYS 92 Ca 0.19 -0.39 -0.01 0.00 -1.06 0.00 0.00 60.65 59.38 2vhh h LYS 92 Cb 0.40 -0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.05 2vhh h LYS 92 CO 0.01 1.03 0.10 1.96 -2.06 0.00 0.00 179.45 180.49 2vhh h GLN 93 N 0.68 0.32 -0.60 3.15 4.20 -1.07 -1.56 115.11 120.23 2vhh h GLN 93 Ca 0.07 -0.05 0.02 0.00 0.06 0.00 0.00 58.65 58.75 2vhh h GLN 93 Cb 0.89 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.58 2vhh h GLN 93 CO 0.08 0.34 0.37 -0.09 -0.67 0.00 0.00 178.83 178.86 2vhh h ARG 94 N 0.22 0.71 -0.08 1.46 2.43 -1.30 -2.88 114.38 114.93 2vhh h ARG 94 Ca 0.07 -0.04 -0.11 0.00 -0.81 0.00 0.00 59.98 59.09 2vhh h ARG 94 Cb 0.13 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 2vhh h ARG 94 CO -0.01 0.47 -0.46 0.93 -1.51 0.00 0.00 179.97 179.39 2vhh h GLU 95 N 0.73 0.20 -0.08 0.20 5.08 -1.13 0.57 114.58 120.15 2vhh h GLU 95 Ca 0.24 -0.10 -0.15 0.00 -1.00 0.00 0.00 59.36 58.35 2vhh h GLU 95 Cb 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2vhh h GLU 95 CO -0.09 0.62 -0.59 0.00 -1.00 0.00 0.00 179.01 177.95 2vhh h ALA 96 N 1.37 0.84 -0.12 3.43 0.00 -1.18 -1.91 119.26 121.69 2vhh h ALA 96 Ca 0.01 -0.53 -0.23 0.00 0.00 0.00 0.00 54.91 54.16 2vhh h ALA 96 Cb 0.88 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.59 2vhh h ALA 96 CO 0.07 0.72 -0.83 0.82 0.00 0.00 0.00 179.25 180.03 2vhh h ILE 97 N 0.20 1.29 -0.13 0.00 2.04 -1.27 -2.97 117.51 116.68 2vhh h ILE 97 Ca -0.00 -2.04 0.04 0.00 1.00 0.00 0.00 64.86 63.86 2vhh h ILE 97 Cb 1.09 2.06 -0.07 0.00 -0.74 0.00 0.00 36.82 39.17 2vhh h ILE 97 CO 0.09 0.64 -0.44 -0.50 0.00 0.00 0.00 178.15 177.95 2vhh h TRP 98 N 0.50 -1.26 -0.55 1.37 4.06 -0.77 -0.72 115.95 118.57 2vhh h TRP 98 Ca -0.07 0.05 -0.00 0.00 2.06 0.00 0.00 58.89 60.93 2vhh h TRP 98 Cb 1.46 0.57 -0.03 0.00 -1.00 0.00 0.00 29.16 30.16 2vhh h TRP 98 CO 0.09 -0.49 0.33 -0.91 -3.56 0.00 0.00 178.44 173.90 2vhh h ASN 99 N -0.51 0.65 -0.09 -3.49 2.35 -1.39 0.55 115.58 113.65 2vhh h ASN 99 Ca 0.07 -0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.71 2vhh h ASN 99 Cb 0.64 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.85 2vhh h ASN 99 CO -0.40 0.50 -0.26 0.50 -1.65 0.00 0.00 177.43 176.11 2vhh h LYS 100 N 0.75 0.34 -0.08 0.81 3.64 -1.33 -3.12 116.57 117.59 2vhh h LYS 100 Ca 0.20 -0.24 -0.11 0.00 -1.27 0.00 0.00 60.65 59.22 2vhh h LYS 100 Cb -0.03 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 2vhh h LYS 100 CO -0.04 0.86 -0.46 0.28 -2.27 0.00 0.00 179.45 177.83 2vhh h VAL 101 N -0.12 1.33 -0.66 2.00 2.07 -0.64 -2.62 116.25 117.61 2vhh h VAL 101 Ca -0.01 -1.62 0.14 0.00 0.82 0.00 0.00 66.70 66.03 2vhh h VAL 101 Cb 0.88 1.78 -0.11 0.00 -1.52 0.00 0.00 31.29 32.32 2vhh h VAL 101 CO 0.06 0.48 0.05 0.11 0.02 0.00 0.00 177.57 178.29 2vhh h LYS 102 N 0.15 0.16 0.00 1.57 1.57 0.08 0.18 116.57 120.29 2vhh h LYS 102 Ca 0.01 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 2vhh h LYS 102 Cb 0.87 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.14 2vhh h LYS 102 CO 0.07 0.10 -0.29 0.00 -0.57 0.00 0.00 179.45 178.77 2vhh h THR 103 N 0.16 0.40 -0.28 -0.16 1.03 -1.42 -1.37 112.91 111.27 2vhh h THR 103 Ca 0.35 -1.57 -0.18 0.00 -0.01 0.00 0.00 66.41 65.01 2vhh h THR 103 Cb 0.58 2.18 -0.00 0.00 -1.07 0.00 0.00 68.15 69.84 2vhh h THR 103 CO -0.53 0.23 -0.52 0.24 -0.01 0.00 0.00 175.52 174.93 2vhh h MET 104 N 0.00 0.81 -0.51 0.00 2.86 -1.03 -1.88 114.93 115.18 2vhh h MET 104 Ca -0.01 -0.49 -0.10 0.00 -2.06 0.00 0.00 59.70 57.04 2vhh h MET 104 Cb 1.19 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.88 2vhh h MET 104 CO 0.03 1.12 -0.10 0.82 1.06 0.00 0.00 176.91 179.85 2vhh h ILE 105 N 0.63 1.26 -0.71 -1.22 2.04 -0.51 -1.44 117.51 117.56 2vhh h ILE 105 Ca 0.02 -1.22 0.02 0.00 1.00 0.00 0.00 64.86 64.68 2vhh h ILE 105 Cb 1.11 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 38.12 2vhh h ILE 105 CO 0.11 0.43 0.46 0.50 0.00 0.00 0.00 178.15 179.65 2vhh h LYS 106 N 0.84 0.90 -0.52 2.37 3.64 -1.15 0.15 116.57 122.79 2vhh h LYS 106 Ca 0.14 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 2vhh h LYS 106 Cb 0.63 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 2vhh h LYS 106 CO 0.04 0.60 0.20 0.00 -2.27 0.00 0.00 179.45 178.02 2vhh h ALA 107 N 1.28 0.68 -0.99 5.00 0.00 -1.17 -2.02 119.26 122.04 2vhh h ALA 107 Ca 0.27 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.05 2vhh h ALA 107 Cb -0.06 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.47 2vhh h ALA 107 CO -0.08 0.29 0.65 0.00 0.00 0.00 0.00 179.25 180.11 2vhh h ALA 108 N 1.05 1.29 -0.11 0.00 0.00 -0.66 -0.57 119.26 120.25 2vhh h ALA 108 Ca 0.17 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.04 2vhh h ALA 108 Cb 0.21 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 2vhh h ALA 108 CO -0.01 0.57 0.04 0.00 0.00 0.00 0.00 179.25 179.84 2vhh h ALA 109 N 1.39 0.12 0.00 0.00 0.00 -0.64 -1.24 119.26 118.89 2vhh h ALA 109 Ca 0.38 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.30 2vhh h ALA 109 Cb -0.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.74 2vhh h ALA 109 CO -0.11 -0.42 0.00 0.93 0.00 0.00 0.00 179.25 179.65 2vhh h GLU 110 N 0.09 0.00 -0.00 0.00 5.08 -1.03 -0.77 114.58 117.96 2vhh h GLU 110 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 2vhh h GLU 110 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2vhh h GLU 110 CO -0.05 0.00 -0.08 0.00 -1.00 0.00 0.00 179.01 177.88 2vhh n ALA 111 N -1.96 2.65 -0.44 3.43 0.00 -0.25 -4.68 120.51 119.25 2vhh n ALA 111 Ca 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2vhh n ALA 111 Cb 0.34 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.40 2vhh n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vhh n GLY 112 N 1.34 0.73 3.76 0.00 0.00 -0.29 -4.85 105.19 105.87 2vhh n GLY 112 Ca 0.12 -0.46 -0.35 0.00 0.00 0.00 0.00 46.02 45.33 2vhh n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vhh n ASN 114 N -1.61 2.57 -4.08 0.00 4.13 0.87 -4.78 115.26 112.35 2vhh n ASN 114 Ca 0.13 0.00 -0.21 0.00 1.68 0.00 0.00 54.58 56.17 2vhh n ASN 114 Cb 0.50 0.90 -0.15 0.00 -1.54 0.00 0.00 39.78 39.49 2vhh n ASN 114 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2vhh s ILE 115 N -2.34 1.00 -0.02 2.41 1.01 -0.94 -0.52 121.20 121.79 2vhh s ILE 115 Ca -0.05 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.08 2vhh s ILE 115 Cb 0.04 -0.84 0.01 0.00 0.01 0.00 0.00 42.46 41.68 2vhh s ILE 115 CO 0.41 0.28 -0.05 -0.69 0.00 0.00 0.00 174.94 174.89 2vhh s VAL 116 N -0.29 0.50 0.01 2.92 1.01 -0.28 -0.75 120.40 123.52 2vhh s VAL 116 Ca 0.05 -0.20 0.04 0.00 0.00 0.00 0.00 61.98 61.87 2vhh s VAL 116 Cb -0.05 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.85 2vhh s VAL 116 CO -0.00 0.17 -0.13 0.00 0.00 0.00 0.00 175.10 175.14 2vhh s THR 118 N -0.56 2.61 1.02 0.00 -4.23 -0.66 -1.59 115.64 112.23 2vhh s THR 118 Ca 0.03 -0.69 -0.17 0.00 -1.18 0.00 0.00 61.69 59.68 2vhh s THR 118 Cb -0.06 -2.92 0.24 0.00 1.34 0.00 0.00 72.50 71.09 2vhh s THR 118 CO 0.00 0.00 1.32 0.00 -0.54 0.00 0.00 174.62 175.40 2vhh n GLN 119 N -2.36 -1.52 -2.11 3.99 10.64 -1.23 -4.56 117.38 120.24 2vhh n GLN 119 Ca 0.09 -2.05 -0.41 0.00 -1.83 0.00 0.00 57.00 52.81 2vhh n GLN 119 Cb 0.60 -1.41 -0.02 0.00 -0.86 0.00 0.00 30.24 28.54 2vhh n GLN 119 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 2vhh s GLU 120 N -5.89 4.35 -1.44 2.61 2.12 -1.17 -3.83 118.70 115.44 2vhh s GLU 120 Ca 0.76 2.22 -0.01 0.00 0.36 0.00 0.00 54.97 58.30 2vhh s GLU 120 Cb -0.03 -3.07 0.01 0.00 0.26 0.00 0.00 34.13 31.30 2vhh s GLU 120 CO 0.54 -0.20 0.36 0.00 -0.54 0.00 0.00 175.26 175.42 2vhh n ALA 121 N 0.85 -1.98 0.36 6.30 0.00 -1.00 -4.78 120.51 120.27 2vhh n ALA 121 Ca 0.00 -0.28 0.13 0.00 0.00 0.00 0.00 53.44 53.29 2vhh n ALA 121 Cb 0.42 -1.44 0.55 0.00 0.00 0.00 0.00 19.45 18.98 2vhh n ALA 121 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 2vhh h TRP 122 N -1.81 0.00 0.00 0.00 5.08 -1.48 -2.73 115.95 115.00 2vhh h TRP 122 Ca -0.63 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.34 2vhh h TRP 122 Cb 1.38 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.54 2vhh h TRP 122 CO 0.50 0.00 -0.19 -2.37 -1.28 0.00 0.00 178.44 175.10 2vhh n THR 123 N -2.46 0.16 -4.20 0.12 5.66 -1.26 -4.91 114.28 107.39 2vhh n THR 123 Ca 0.02 -0.09 -0.12 0.00 -3.05 0.00 0.00 64.05 60.81 2vhh n THR 123 Cb 0.24 -0.30 -0.10 0.00 -1.55 0.00 0.00 70.33 68.63 2vhh n THR 123 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2vhh s MET 124 N -3.04 1.04 0.52 1.09 0.23 -1.03 -4.27 119.30 113.84 2vhh s MET 124 Ca 0.12 -1.50 -0.19 0.00 -1.03 0.00 0.00 55.69 53.09 2vhh s MET 124 Cb 0.17 -0.00 -0.07 0.00 -1.53 0.00 0.00 34.83 33.39 2vhh s MET 124 CO 0.61 -0.21 1.04 -1.25 -2.03 0.00 0.00 175.02 173.18 2vhh s PRO 125 N -3.99 3.64 -0.95 3.16 0.04 -1.26 -4.91 135.00 130.74 2vhh s PRO 125 Ca 0.25 1.31 -0.21 0.00 0.04 0.00 0.00 61.00 62.39 2vhh s PRO 125 Cb 0.07 -2.07 -0.11 0.00 0.04 0.00 0.00 34.50 32.43 2vhh s PRO 125 CO 0.03 -0.55 1.97 0.34 0.04 0.00 0.00 177.00 178.84 2vhh n PHE 126 N -1.32 2.33 0.00 0.56 7.35 -1.26 -4.56 117.46 120.57 2vhh n PHE 126 Ca 0.09 -2.02 0.00 0.00 -0.76 0.00 0.00 57.45 54.77 2vhh n PHE 126 Cb 0.53 -1.97 0.00 0.00 0.35 0.00 0.00 39.48 38.39 2vhh n PHE 126 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2vhh n ALA 127 N 7.90 0.00 -2.88 3.13 0.00 -1.26 -5.17 120.51 122.23 2vhh n ALA 127 Ca 0.50 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.84 2vhh n ALA 127 Cb 0.41 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.79 2vhh n ALA 127 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2vhh s PHE 128 N 2.35 0.47 0.00 0.00 0.40 -1.26 -5.23 117.98 114.71 2vhh s PHE 128 Ca 0.00 -0.81 0.00 0.00 -0.60 0.00 0.00 56.93 55.52 2vhh s PHE 128 Cb 0.00 0.00 0.00 0.00 0.51 0.00 0.00 43.02 43.53 2vhh s PHE 128 CO 0.00 -0.84 0.00 0.39 0.70 0.00 0.00 175.22 175.47 2vhh n GLU 138 N -0.31 0.00 0.06 0.44 -0.58 -1.26 -4.85 120.64 114.15 2vhh n GLU 138 Ca -0.03 0.00 0.12 0.00 -0.42 0.00 0.00 57.16 56.83 2vhh n GLU 138 Cb 0.63 -4.02 0.16 0.00 -0.57 0.00 0.00 31.44 27.64 2vhh n GLU 138 CO 0.00 0.00 0.00 0.74 -0.48 0.00 0.00 177.13 177.39 2vhh h PHE 139 N 0.00 0.00 -3.16 -0.32 -1.00 -1.96 -3.48 116.94 107.01 2vhh h PHE 139 Ca 0.00 0.00 -0.53 0.00 2.81 0.00 0.00 57.97 60.25 2vhh h PHE 139 Cb 0.00 0.00 0.05 0.00 3.61 0.00 0.00 35.95 39.61 2vhh h PHE 139 CO 0.00 0.00 0.78 0.00 -1.61 0.00 0.00 178.31 177.48 2vhh s ALA 140 N -3.18 3.65 0.11 2.45 0.00 -1.26 -4.74 121.76 118.81 2vhh s ALA 140 Ca 0.06 1.28 -0.07 0.00 0.00 0.00 0.00 51.96 53.23 2vhh s ALA 140 Cb 0.13 -3.56 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 2vhh s ALA 140 CO 0.73 -0.71 0.18 -1.83 0.00 0.00 0.00 175.76 174.12 2vhh s GLU 141 N 0.32 0.93 0.31 0.00 -1.05 -0.69 -4.70 118.70 113.82 2vhh s GLU 141 Ca 0.63 -1.12 -0.30 0.00 -0.15 0.00 0.00 54.97 54.03 2vhh s GLU 141 Cb -0.41 0.33 -0.11 0.00 -0.44 0.00 0.00 34.13 33.49 2vhh s GLU 141 CO 0.37 -0.30 1.59 0.39 0.95 0.00 0.00 175.26 178.26 2vhh n GLU 142 N -0.10 2.74 -0.14 -4.83 1.02 -1.26 -2.14 120.64 115.93 2vhh n GLU 142 Ca -0.11 0.97 -0.08 0.00 -0.02 0.00 0.00 57.16 57.92 2vhh n GLU 142 Cb 0.63 -2.76 0.00 0.00 -0.02 0.00 0.00 31.44 29.29 2vhh n GLU 142 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2vhh h ALA 143 N 4.53 0.54 0.01 0.62 0.00 -1.93 -0.71 119.26 122.33 2vhh h ALA 143 Ca -0.48 -0.04 -0.36 0.00 0.00 0.00 0.00 54.91 54.03 2vhh h ALA 143 Cb 1.22 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 2vhh h ALA 143 CO 0.77 0.01 -2.27 -1.91 0.00 0.00 0.00 179.25 175.85 2vhh n GLU 144 N -4.77 0.68 -0.07 0.00 2.13 -1.26 -4.52 120.64 112.83 2vhh n GLU 144 Ca 0.01 0.10 0.06 0.00 0.66 0.00 0.00 57.16 57.99 2vhh n GLU 144 Cb 0.04 -1.58 0.09 0.00 0.27 0.00 0.00 31.44 30.26 2vhh n GLU 144 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2vhh n ASN 145 N -2.99 2.39 -4.73 4.31 3.02 -1.25 -4.65 115.26 111.36 2vhh n ASN 145 Ca -0.34 -1.69 -0.35 0.00 -0.03 0.00 0.00 54.58 52.18 2vhh n ASN 145 Cb 1.09 -0.09 0.07 0.00 -0.61 0.00 0.00 39.78 40.24 2vhh n ASN 145 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2vhh s GLY 146 N -1.02 2.44 0.44 7.41 0.00 -0.27 -4.84 107.32 111.48 2vhh s GLY 146 Ca 0.19 0.89 0.12 0.00 0.00 0.00 0.00 44.72 45.92 2vhh s GLY 146 CO 0.16 1.29 2.02 -0.56 0.00 0.00 0.00 173.10 176.01 2vhh h PRO 147 N 0.05 0.38 -0.21 2.90 0.13 -1.95 -2.59 132.00 130.71 2vhh h PRO 147 Ca -0.48 -0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 64.53 2vhh h PRO 147 Cb 1.29 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 2vhh h PRO 147 CO 0.52 0.25 -0.25 1.15 -0.23 0.00 0.00 178.00 179.44 2vhh h THR 148 N 0.40 1.33 -0.59 1.56 2.02 -1.92 -2.02 112.91 113.69 2vhh h THR 148 Ca 0.21 -1.44 -0.09 0.00 0.77 0.00 0.00 66.41 65.86 2vhh h THR 148 Cb 0.32 1.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 2vhh h THR 148 CO -0.05 0.44 0.03 0.74 0.37 0.00 0.00 175.52 177.05 2vhh h THR 149 N 0.21 1.26 -0.91 3.16 2.02 -1.79 -0.95 112.91 115.91 2vhh h THR 149 Ca 0.03 -1.09 -0.01 0.00 0.77 0.00 0.00 66.41 66.10 2vhh h THR 149 Cb 0.82 0.81 -0.04 0.00 -1.74 0.00 0.00 68.15 67.99 2vhh h THR 149 CO 0.06 0.40 0.52 0.11 0.37 0.00 0.00 175.52 176.97 2vhh h LYS 150 N 0.91 1.25 -0.44 6.66 1.79 -1.46 0.14 116.57 125.41 2vhh h LYS 150 Ca 0.17 -0.13 -0.12 0.00 -2.18 0.00 0.00 60.65 58.39 2vhh h LYS 150 Cb 0.51 -0.25 -0.01 0.00 -1.58 0.00 0.00 32.23 30.90 2vhh h LYS 150 CO 0.02 0.90 -0.20 1.98 -1.08 0.00 0.00 179.45 181.07 2vhh h MET 151 N 1.26 0.92 0.00 3.15 4.05 -1.22 -3.18 114.93 119.91 2vhh h MET 151 Ca 0.32 -0.39 -0.16 0.00 -0.28 0.00 0.00 59.70 59.19 2vhh h MET 151 Cb -0.01 -0.03 -0.02 0.00 -0.80 0.00 0.00 31.60 30.74 2vhh h MET 151 CO -0.06 1.05 -0.75 1.25 0.23 0.00 0.00 176.91 178.64 2vhh h LEU 152 N 0.75 0.00 -0.63 3.39 5.85 -0.78 -3.19 115.31 120.71 2vhh h LEU 152 Ca 0.10 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.76 2vhh h LEU 152 Cb 0.77 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.77 2vhh h LEU 152 CO 0.06 0.75 0.16 0.00 -0.34 0.00 0.00 178.44 179.07 2vhh h ALA 153 N 1.25 0.82 -0.79 1.25 0.00 -0.73 -0.55 119.26 120.51 2vhh h ALA 153 Ca -0.01 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.70 2vhh h ALA 153 Cb 1.47 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.98 2vhh h ALA 153 CO 0.10 0.52 0.52 0.93 0.00 0.00 0.00 179.25 181.33 2vhh h GLU 154 N 0.91 1.00 -0.34 0.00 5.08 -1.54 -1.07 114.58 118.62 2vhh h GLU 154 Ca 0.20 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.33 2vhh h GLU 154 Cb 0.34 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 2vhh h GLU 154 CO -0.00 0.66 -0.42 -0.07 -1.00 0.00 0.00 179.01 178.18 2vhh h LEU 155 N 1.03 0.97 -0.81 1.33 3.38 -1.44 -1.62 115.31 118.14 2vhh h LEU 155 Ca 0.30 -0.49 0.01 0.00 0.09 0.00 0.00 57.88 57.80 2vhh h LEU 155 Cb -0.05 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.38 2vhh h LEU 155 CO -0.08 1.26 0.53 0.00 0.09 0.00 0.00 178.44 180.25 2vhh h ALA 156 N 0.73 1.04 -0.02 1.53 0.00 -0.67 0.36 119.26 122.23 2vhh h ALA 156 Ca 0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2vhh h ALA 156 Cb 1.02 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2vhh h ALA 156 CO 0.10 0.42 -0.02 -0.22 0.00 0.00 0.00 179.25 179.53 2vhh h LYS 157 N 1.08 0.05 -0.72 0.00 3.64 -1.19 -1.64 116.57 117.79 2vhh h LYS 157 Ca 0.30 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.61 2vhh h LYS 157 Cb -0.10 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.69 2vhh h LYS 157 CO -0.08 0.51 0.27 0.00 -2.27 0.00 0.00 179.45 177.88 2vhh h ALA 158 N 0.54 0.94 -0.37 5.00 0.00 -1.16 -2.85 119.26 121.35 2vhh h ALA 158 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2vhh h ALA 158 Cb 0.50 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2vhh h ALA 158 CO 0.00 0.58 0.00 0.66 0.00 0.00 0.00 179.25 180.50 2vhh n TYR 159 N -4.33 0.49 -4.12 0.00 0.53 0.10 -4.96 117.16 104.87 2vhh n TYR 159 Ca 0.06 -0.24 -0.33 0.00 -1.02 0.00 0.00 57.90 56.37 2vhh n TYR 159 Cb 0.19 0.00 -0.04 0.00 -1.03 0.00 0.00 39.34 38.46 2vhh n TYR 159 CO 0.00 0.00 0.00 -1.71 -1.02 0.00 0.00 176.86 174.13 2vhh n ASN 160 N 0.91 -0.88 -3.95 7.72 5.15 -0.77 -4.99 115.26 118.45 2vhh n ASN 160 Ca 0.17 -1.19 -0.13 0.00 -0.60 0.00 0.00 54.58 52.83 2vhh n ASN 160 Cb 0.44 -2.14 -0.13 0.00 -0.53 0.00 0.00 39.78 37.42 2vhh n ASN 160 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2vhh s MET 161 N -7.07 0.26 0.21 1.20 0.23 -0.69 -4.88 119.30 108.57 2vhh s MET 161 Ca 0.14 -0.28 -0.30 0.00 -1.03 0.00 0.00 55.69 54.21 2vhh s MET 161 Cb -0.07 -0.14 -0.09 0.00 -1.53 0.00 0.00 34.83 33.00 2vhh s MET 161 CO 0.95 0.03 1.31 0.08 -2.03 0.00 0.00 175.02 175.37 2vhh s VAL 162 N -0.52 3.15 -0.11 5.16 1.01 0.32 -3.84 120.40 125.57 2vhh s VAL 162 Ca -0.04 0.97 0.02 0.00 0.00 0.00 0.00 61.98 62.93 2vhh s VAL 162 Cb -0.04 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.73 2vhh s VAL 162 CO -0.00 0.15 -0.19 -0.63 0.00 0.00 0.00 175.10 174.43 2vhh s ILE 163 N -0.00 1.74 -0.18 2.22 1.01 -0.48 -1.12 121.20 124.39 2vhh s ILE 163 Ca 0.56 -0.80 -0.03 0.00 0.00 0.00 0.00 60.65 60.38 2vhh s ILE 163 Cb -0.37 -1.55 -0.02 0.00 0.01 0.00 0.00 42.46 40.53 2vhh s ILE 163 CO 0.39 0.49 -0.06 -0.63 0.00 0.00 0.00 174.94 175.14 2vhh s ILE 164 N 0.76 3.51 0.09 2.92 1.01 0.56 -0.72 121.20 129.34 2vhh s ILE 164 Ca -0.10 -0.47 0.03 0.00 0.00 0.00 0.00 60.65 60.11 2vhh s ILE 164 Cb -0.16 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.72 2vhh s ILE 164 CO 0.01 0.47 -0.10 -1.38 0.00 0.00 0.00 174.94 173.94 2vhh s HIS 165 N 0.83 1.02 -0.17 3.97 -3.43 -0.61 -1.65 115.29 115.24 2vhh s HIS 165 Ca -0.02 -0.66 -0.01 0.00 -0.80 0.00 0.00 55.06 53.57 2vhh s HIS 165 Cb -0.15 -0.56 -0.01 0.00 -1.43 0.00 0.00 32.58 30.43 2vhh s HIS 165 CO 0.01 -0.02 -0.11 0.45 -2.00 0.00 0.00 174.74 173.08 2vhh s SER 166 N -2.41 4.01 0.05 7.38 0.15 -1.26 -0.26 113.70 121.36 2vhh s SER 166 Ca 0.05 -0.39 -0.01 0.00 0.70 0.00 0.00 55.95 56.29 2vhh s SER 166 Cb -0.03 -1.64 -0.04 0.00 -1.71 0.00 0.00 66.02 62.60 2vhh s SER 166 CO -0.00 0.07 -0.02 0.27 1.20 0.00 0.00 173.24 174.76 2vhh s ILE 167 N 0.90 0.20 -0.19 6.45 -4.36 -0.25 -1.90 121.20 122.05 2vhh s ILE 167 Ca -0.03 -1.67 -0.29 0.00 -0.26 0.00 0.00 60.65 58.40 2vhh s ILE 167 Cb -0.15 -1.37 -0.02 0.00 1.25 0.00 0.00 42.46 42.17 2vhh s ILE 167 CO -0.00 -0.92 1.44 -0.76 0.24 0.00 0.00 174.94 174.93 2vhh s LEU 168 N -2.76 4.06 -0.03 0.37 1.43 -1.26 -1.43 118.68 119.06 2vhh s LEU 168 Ca 0.04 1.66 -0.14 0.00 -1.03 0.00 0.00 54.13 54.66 2vhh s LEU 168 Cb 0.06 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.69 2vhh s LEU 168 CO -0.09 -1.00 0.37 -0.70 0.23 0.00 0.00 176.35 175.16 2vhh s GLU 169 N 4.08 3.89 -0.20 1.70 2.12 0.26 -1.71 118.70 128.84 2vhh s GLU 169 Ca 0.63 0.32 -0.03 0.00 0.36 0.00 0.00 54.97 56.26 2vhh s GLU 169 Cb -0.23 -3.24 -0.01 0.00 0.26 0.00 0.00 34.13 30.91 2vhh s GLU 169 CO 0.23 0.66 -0.08 0.50 -0.54 0.00 0.00 175.26 176.03 2vhh s ARG 170 N -0.92 3.35 -0.57 4.30 3.52 -0.91 0.37 118.95 128.08 2vhh s ARG 170 Ca 0.22 -0.66 -0.18 0.00 -0.13 0.00 0.00 55.73 54.99 2vhh s ARG 170 Cb -0.16 -2.88 0.11 0.00 -1.56 0.00 0.00 34.95 30.46 2vhh s ARG 170 CO 0.11 -0.10 0.63 0.34 -0.81 0.00 0.00 175.30 175.47 2vhh s ASP 171 N 1.20 6.19 0.40 -2.12 -1.08 -0.03 -4.21 116.67 117.01 2vhh s ASP 171 Ca 0.02 -1.56 0.26 0.00 -0.52 0.00 0.00 52.55 50.75 2vhh s ASP 171 Cb -0.14 -2.27 0.73 0.00 -1.46 0.00 0.00 42.92 39.77 2vhh s ASP 171 CO -0.03 -1.03 1.74 0.24 0.52 0.00 0.00 175.17 176.61 2vhh h MET 172 N 9.09 0.00 0.08 4.34 2.86 -1.93 -0.50 114.93 128.86 2vhh h MET 172 Ca -0.30 0.00 -0.25 0.00 -2.06 0.00 0.00 59.70 57.09 2vhh h MET 172 Cb 1.09 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.76 2vhh h MET 172 CO 1.08 0.00 -1.11 0.93 1.06 0.00 0.00 176.91 178.87 2vhh h GLU 173 N 0.00 0.34 -2.27 1.72 4.39 -1.99 -3.40 114.58 113.37 2vhh h GLU 173 Ca 0.00 -0.47 -0.65 0.00 0.34 0.00 0.00 59.36 58.58 2vhh h GLU 173 Cb 0.78 0.16 -0.38 0.00 -0.10 0.00 0.00 28.75 29.20 2vhh h GLU 173 CO 0.00 1.17 -0.20 0.72 -1.16 0.00 0.00 179.01 179.54 2vhh n HIS 174 N -3.64 3.72 -1.46 4.33 8.25 -1.13 -4.86 115.22 120.43 2vhh n HIS 174 Ca -0.08 -3.61 -0.05 0.00 -0.26 0.00 0.00 57.72 53.72 2vhh n HIS 174 Cb 0.94 -0.67 -0.02 0.00 1.12 0.00 0.00 29.99 31.36 2vhh n HIS 174 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2vhh n GLY 175 N -0.20 0.56 2.41 -1.41 0.00 -1.25 -3.52 105.19 101.78 2vhh n GLY 175 Ca 0.35 -0.78 -0.20 0.00 0.00 0.00 0.00 46.02 45.39 2vhh n GLY 175 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2vhh n GLU 176 N -2.39 -1.71 -2.32 1.61 1.02 -0.21 -4.96 120.64 111.67 2vhh n GLU 176 Ca -0.05 1.00 -0.36 0.00 -0.02 0.00 0.00 57.16 57.72 2vhh n GLU 176 Cb 0.29 -5.65 -0.01 0.00 -0.02 0.00 0.00 31.44 26.05 2vhh n GLU 176 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2vhh s THR 177 N -3.01 3.26 -0.15 2.62 -4.23 -1.22 -4.61 115.64 108.31 2vhh s THR 177 Ca 0.00 0.88 -0.11 0.00 -1.18 0.00 0.00 61.69 61.28 2vhh s THR 177 Cb 0.00 -3.41 -0.05 0.00 1.34 0.00 0.00 72.50 70.38 2vhh s THR 177 CO 0.00 -0.07 0.21 -0.63 -0.54 0.00 0.00 174.62 173.58 2vhh s ILE 178 N -1.67 5.37 0.07 2.99 1.01 -1.26 -0.85 121.20 126.86 2vhh s ILE 178 Ca 0.66 0.36 0.03 0.00 0.00 0.00 0.00 60.65 61.70 2vhh s ILE 178 Cb -0.25 -3.52 -0.03 0.00 0.01 0.00 0.00 42.46 38.66 2vhh s ILE 178 CO 0.30 0.49 -0.09 0.26 0.00 0.00 0.00 174.94 175.90 2vhh s TRP 179 N -0.14 0.88 -0.40 3.97 0.52 0.16 -4.80 118.94 119.13 2vhh s TRP 179 Ca 0.14 -0.62 -0.15 0.00 0.02 0.00 0.00 56.10 55.48 2vhh s TRP 179 Cb -0.12 -0.50 0.02 0.00 -1.15 0.00 0.00 33.47 31.71 2vhh s TRP 179 CO 0.03 -0.06 0.32 1.21 0.02 0.00 0.00 176.95 178.47 2vhh s ASN 180 N -2.14 6.12 -0.01 2.95 3.84 -1.26 0.92 114.94 125.35 2vhh s ASN 180 Ca -0.00 -0.80 0.04 0.00 0.21 0.00 0.00 52.86 52.31 2vhh s ASN 180 Cb -0.05 -2.17 -0.01 0.00 -0.55 0.00 0.00 41.25 38.47 2vhh s ASN 180 CO -0.01 -0.44 -0.13 -0.89 -2.79 0.00 0.00 177.10 172.84 2vhh s THR 181 N 1.76 1.07 -0.16 -5.21 2.01 -0.51 -0.89 115.64 113.71 2vhh s THR 181 Ca 0.06 -0.57 -0.10 0.00 0.31 0.00 0.00 61.69 61.40 2vhh s THR 181 Cb -0.18 -0.90 -0.05 0.00 0.01 0.00 0.00 72.50 71.38 2vhh s THR 181 CO 0.11 0.30 0.16 0.00 -0.69 0.00 0.00 174.62 174.51 2vhh s ALA 182 N -0.24 3.75 -0.14 7.40 0.00 0.13 -1.09 121.76 131.57 2vhh s ALA 182 Ca 0.04 -0.62 0.02 0.00 0.00 0.00 0.00 51.96 51.39 2vhh s ALA 182 Cb -0.06 -2.13 0.00 0.00 0.00 0.00 0.00 23.12 20.93 2vhh s ALA 182 CO -0.00 0.33 -0.19 0.08 0.00 0.00 0.00 175.76 175.98 2vhh s VAL 183 N -0.19 2.36 -0.26 0.00 1.01 0.64 -1.05 120.40 122.91 2vhh s VAL 183 Ca 0.12 -0.88 -0.10 0.00 0.00 0.00 0.00 61.98 61.12 2vhh s VAL 183 Cb -0.12 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 2vhh s VAL 183 CO 0.01 0.54 0.14 -0.69 0.00 0.00 0.00 175.10 175.10 2vhh s VAL 184 N 0.72 4.97 -0.15 2.92 1.01 -0.77 -1.58 120.40 127.53 2vhh s VAL 184 Ca -0.08 0.05 -0.03 0.00 0.00 0.00 0.00 61.98 61.92 2vhh s VAL 184 Cb -0.16 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.85 2vhh s VAL 184 CO 0.01 0.30 -0.04 -0.63 0.00 0.00 0.00 175.10 174.74 2vhh s ILE 185 N 1.54 3.89 0.64 2.22 1.01 0.10 -1.13 121.20 129.48 2vhh s ILE 185 Ca 0.07 -0.36 -0.14 0.00 0.00 0.00 0.00 60.65 60.21 2vhh s ILE 185 Cb -0.15 -2.69 -0.01 0.00 0.01 0.00 0.00 42.46 39.61 2vhh s ILE 185 CO 0.07 0.51 1.07 -0.55 0.00 0.00 0.00 174.94 176.04 2vhh s SER 186 N 0.22 5.49 0.00 3.58 0.15 -0.23 -1.37 113.70 121.54 2vhh s SER 186 Ca -0.02 1.78 0.09 0.00 0.70 0.00 0.00 55.95 58.50 2vhh s SER 186 Cb -0.14 -2.52 0.43 0.00 -1.71 0.00 0.00 66.02 62.08 2vhh s SER 186 CO 0.03 -1.37 1.19 -0.46 1.20 0.00 0.00 173.24 173.83 2vhh n ASN 187 N -2.50 0.00 0.07 5.45 6.94 -1.25 -0.66 115.26 123.31 2vhh n ASN 187 Ca 0.09 0.24 0.13 0.00 -0.02 0.00 0.00 54.58 55.01 2vhh n ASN 187 Cb 0.53 -0.33 0.33 0.00 -2.36 0.00 0.00 39.78 37.94 2vhh n ASN 187 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 2vhh n SER 188 N -1.33 0.68 0.00 0.53 3.41 -1.26 -4.25 113.62 111.40 2vhh n SER 188 Ca 0.04 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.99 2vhh n SER 188 Cb 0.08 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 2vhh n SER 188 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2vhh n GLY 189 N 1.35 0.24 3.83 5.00 0.00 0.16 -4.65 105.19 111.13 2vhh n GLY 189 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 2vhh n GLY 189 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2vhh s ARG 190 N -0.98 4.15 0.09 1.61 0.52 -1.26 -4.78 118.95 118.29 2vhh s ARG 190 Ca 0.00 0.82 -0.31 0.00 -0.52 0.00 0.00 55.73 55.72 2vhh s ARG 190 Cb 0.00 -2.58 -0.07 0.00 0.52 0.00 0.00 34.95 32.81 2vhh s ARG 190 CO 0.00 0.23 1.39 -0.47 0.02 0.00 0.00 175.30 176.47 2vhh s TYR 191 N -1.82 3.15 -0.18 -0.53 5.04 -1.26 -1.07 117.35 120.69 2vhh s TYR 191 Ca 0.51 0.93 -0.03 0.00 -2.44 0.00 0.00 57.07 56.03 2vhh s TYR 191 Cb -0.13 -3.67 -0.23 0.00 0.35 0.00 0.00 41.96 38.28 2vhh s TYR 191 CO 0.19 -2.39 0.13 1.28 -1.34 0.00 0.00 175.55 173.42 2vhh n LEU 192 N 4.26 2.78 0.00 6.97 4.77 -0.28 -4.87 117.00 130.63 2vhh n LEU 192 Ca 0.12 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 2vhh n LEU 192 Cb 0.43 -1.04 0.00 0.00 -2.33 0.00 0.00 43.42 40.48 2vhh n LEU 192 CO 0.59 0.89 0.00 0.61 -1.33 0.00 0.00 177.39 178.15 2vhh n GLY 193 N 2.10 -1.40 3.16 -0.72 0.00 -1.20 -5.02 105.19 102.11 2vhh n GLY 193 Ca -0.38 -1.33 -0.11 0.00 0.00 0.00 0.00 46.02 44.20 2vhh n GLY 193 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vhh s LYS 194 N -1.97 0.61 -0.02 1.61 -2.85 -1.26 -1.84 119.74 114.02 2vhh s LYS 194 Ca 0.00 -0.49 0.03 0.00 -1.00 0.00 0.00 55.97 54.52 2vhh s LYS 194 Cb 0.00 0.25 -0.01 0.00 -2.06 0.00 0.00 37.83 36.02 2vhh s LYS 194 CO 0.00 -0.16 -0.11 -1.58 0.10 0.00 0.00 175.35 173.59 2vhh s HIS 195 N -1.94 1.07 -0.09 1.78 2.46 -0.21 -4.98 115.29 113.37 2vhh s HIS 195 Ca -0.10 -0.23 -0.02 0.00 0.47 0.00 0.00 55.06 55.19 2vhh s HIS 195 Cb -0.04 -0.71 -0.03 0.00 -0.13 0.00 0.00 32.58 31.67 2vhh s HIS 195 CO -0.01 -0.05 -0.01 1.03 -2.47 0.00 0.00 174.74 173.24 2vhh s ARG 196 N -0.14 3.03 -0.49 2.88 0.52 -1.26 0.21 118.95 123.70 2vhh s ARG 196 Ca 0.02 -0.43 -0.46 0.00 -0.52 0.00 0.00 55.73 54.34 2vhh s ARG 196 Cb -0.06 -2.79 -0.20 0.00 0.52 0.00 0.00 34.95 32.43 2vhh s ARG 196 CO -0.00 0.65 1.59 1.17 0.02 0.00 0.00 175.30 178.74 2vhh n LYS 197 N 2.29 0.00 0.09 3.54 4.81 -0.07 -4.50 118.16 124.31 2vhh n LYS 197 Ca -0.18 0.00 -0.09 0.00 -0.87 0.00 0.00 58.31 57.17 2vhh n LYS 197 Cb 0.53 -1.48 -0.03 0.00 0.02 0.00 0.00 35.03 34.07 2vhh n LYS 197 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 2vhh h ASN 198 N 5.03 0.23 -3.16 3.14 2.35 -1.87 0.17 115.58 121.48 2vhh h ASN 198 Ca -0.43 -0.20 -0.58 0.00 -0.55 0.00 0.00 56.30 54.55 2vhh h ASN 198 Cb 1.35 -0.07 -0.36 0.00 0.05 0.00 0.00 38.32 39.29 2vhh h ASN 198 CO 0.97 1.03 -0.82 -1.00 -1.65 0.00 0.00 177.43 175.96 2vhh s HIS 199 N -3.10 1.95 -0.10 1.19 3.76 -1.26 -4.13 115.29 113.60 2vhh s HIS 199 Ca -0.02 -1.08 -0.02 0.00 -0.15 0.00 0.00 55.06 53.78 2vhh s HIS 199 Cb 0.10 -1.48 -0.03 0.00 1.11 0.00 0.00 32.58 32.28 2vhh s HIS 199 CO 0.83 -0.62 -0.00 0.42 -0.85 0.00 0.00 174.74 174.52 2vhh s ILE 200 N 1.56 4.29 0.03 0.60 1.09 -1.26 -4.30 121.20 123.20 2vhh s ILE 200 Ca 0.05 -0.25 -0.30 0.00 -1.10 0.00 0.00 60.65 59.04 2vhh s ILE 200 Cb -0.13 -2.81 -0.07 0.00 -1.06 0.00 0.00 42.46 38.39 2vhh s ILE 200 CO -0.10 0.59 1.59 -2.16 -0.10 0.00 0.00 174.94 174.76 2vhh s PRO 201 N -0.71 4.22 -0.16 2.79 0.04 -1.26 -5.07 135.00 134.85 2vhh s PRO 201 Ca 0.11 2.21 -0.02 0.00 0.04 0.00 0.00 61.00 63.34 2vhh s PRO 201 Cb -0.12 -3.66 0.02 0.00 0.04 0.00 0.00 34.50 30.78 2vhh s PRO 201 CO 0.02 -0.71 0.05 2.89 0.04 0.00 0.00 177.00 179.29 2vhh n ARG 202 N 5.81 -1.59 -3.71 4.56 1.85 -1.26 -5.21 116.66 117.12 2vhh n ARG 202 Ca 0.15 0.01 -0.33 0.00 -1.00 0.00 0.00 57.85 56.68 2vhh n ARG 202 Cb 0.42 -1.79 -0.05 0.00 -1.05 0.00 0.00 32.46 29.99 2vhh n ARG 202 CO 0.00 0.00 0.00 1.41 -0.01 0.00 0.00 177.63 179.03 2vhh s MET 213 N -2.29 3.62 0.24 2.89 1.75 -1.26 -5.32 119.30 118.92 2vhh s MET 213 Ca 0.07 -0.05 -0.30 0.00 -1.25 0.00 0.00 55.69 54.16 2vhh s MET 213 Cb -0.04 -2.99 -0.09 0.00 2.84 0.00 0.00 34.83 34.55 2vhh s MET 213 CO 0.09 0.57 1.01 -1.83 -0.65 0.00 0.00 175.02 174.21 2vhh s GLU 214 N -2.13 4.75 0.41 4.11 1.03 -1.26 -4.91 118.70 120.71 2vhh s GLU 214 Ca 0.33 1.61 -0.27 0.00 0.03 0.00 0.00 54.97 56.68 2vhh s GLU 214 Cb -0.13 -3.26 -0.09 0.00 -0.80 0.00 0.00 34.13 29.85 2vhh s GLU 214 CO 0.20 0.35 1.43 0.20 -1.33 0.00 0.00 175.26 176.12 2vhh s GLY 215 N -0.88 2.93 -0.11 -3.83 0.00 0.60 -4.96 107.32 101.09 2vhh s GLY 215 Ca 0.43 1.48 0.14 0.00 0.00 0.00 0.00 44.72 46.77 2vhh s GLY 215 CO 0.35 2.12 1.24 1.16 0.00 0.00 0.00 173.10 177.97 2vhh n ASN 216 N 0.12 2.95 -1.17 1.64 0.23 -1.26 -4.63 115.26 113.13 2vhh n ASN 216 Ca 0.03 -2.71 0.11 0.00 -0.53 0.00 0.00 54.58 51.48 2vhh n ASN 216 Cb 0.41 -0.37 0.26 0.00 -2.08 0.00 0.00 39.78 38.00 2vhh n ASN 216 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2vhh n THR 217 N -0.62 0.86 -0.26 5.53 -2.24 -1.26 -5.07 114.28 111.22 2vhh n THR 217 Ca 0.15 -0.93 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 2vhh n THR 217 Cb 0.63 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 2vhh n THR 217 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2vhh n GLY 218 N 1.40 1.28 2.28 3.38 0.00 -1.26 -4.17 105.19 108.09 2vhh n GLY 218 Ca 0.21 -0.53 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 2vhh n GLY 218 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2vhh n HIS 219 N 12.60 0.60 -2.36 1.61 8.25 -1.26 -4.92 115.22 129.74 2vhh n HIS 219 Ca 0.00 -3.77 -0.38 0.00 -0.26 0.00 0.00 57.72 53.31 2vhh n HIS 219 Cb 0.00 -0.41 -0.02 0.00 1.12 0.00 0.00 29.99 30.67 2vhh n HIS 219 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2vhh s PRO 220 N -2.10 4.05 -0.15 -0.41 0.04 -1.26 -4.71 135.00 130.47 2vhh s PRO 220 Ca 0.39 1.74 0.00 0.00 0.04 0.00 0.00 61.00 63.17 2vhh s PRO 220 Cb 0.27 -2.61 -0.01 0.00 0.04 0.00 0.00 34.50 32.19 2vhh s PRO 220 CO -0.09 -0.29 -0.15 0.08 0.04 0.00 0.00 177.00 176.59 2vhh s VAL 221 N -1.49 2.77 -0.28 -0.36 1.01 -1.26 -4.59 120.40 116.21 2vhh s VAL 221 Ca 0.58 -0.74 -0.19 0.00 0.00 0.00 0.00 61.98 61.63 2vhh s VAL 221 Cb -0.28 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 2vhh s VAL 221 CO 0.35 0.52 0.55 -0.36 0.00 0.00 0.00 175.10 176.15 2vhh s PHE 222 N 0.69 3.25 -0.53 5.22 0.40 0.13 -4.87 117.98 122.26 2vhh s PHE 222 Ca -0.07 0.61 -0.23 0.00 -0.60 0.00 0.00 56.93 56.64 2vhh s PHE 222 Cb -0.16 -2.80 0.04 0.00 0.51 0.00 0.00 43.02 40.62 2vhh s PHE 222 CO 0.02 -0.34 0.86 -2.00 0.70 0.00 0.00 175.22 174.45 2vhh s GLU 223 N 2.39 3.29 0.43 0.44 2.12 -1.26 -0.77 118.70 125.34 2vhh s GLU 223 Ca 0.22 -0.40 0.07 0.00 0.36 0.00 0.00 54.97 55.22 2vhh s GLU 223 Cb -0.15 -4.06 -0.03 0.00 0.26 0.00 0.00 34.13 30.15 2vhh s GLU 223 CO 0.10 -1.40 0.25 0.95 -0.54 0.00 0.00 175.26 174.62 2vhh s THR 224 N 3.59 2.25 -1.55 -1.70 -4.23 -0.92 -5.01 115.64 108.08 2vhh s THR 224 Ca 0.27 -1.60 0.21 0.00 -1.18 0.00 0.00 61.69 59.38 2vhh s THR 224 Cb -0.14 -2.86 0.42 0.00 1.34 0.00 0.00 72.50 71.26 2vhh s THR 224 CO 0.18 0.00 1.66 -1.84 -0.54 0.00 0.00 174.62 174.08 2vhh n GLU 225 N -1.38 0.38 -0.57 3.99 0.28 -1.26 -2.58 120.64 119.50 2vhh n GLU 225 Ca -0.01 0.07 0.03 0.00 -0.16 0.00 0.00 57.16 57.09 2vhh n GLU 225 Cb 0.64 -1.50 0.21 0.00 1.43 0.00 0.00 31.44 32.22 2vhh n GLU 225 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 2vhh n PHE 226 N -1.22 0.75 0.00 -1.84 3.72 -1.26 -5.09 117.46 112.52 2vhh n PHE 226 Ca 0.11 -1.31 0.00 0.00 -0.05 0.00 0.00 57.45 56.21 2vhh n PHE 226 Cb 0.15 -0.36 0.00 0.00 -0.94 0.00 0.00 39.48 38.32 2vhh n PHE 226 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2vhh n GLY 227 N -1.01 2.26 3.57 1.37 0.00 -1.07 -4.97 105.19 105.35 2vhh n GLY 227 Ca 0.26 -2.12 -0.43 0.00 0.00 0.00 0.00 46.02 43.73 2vhh n GLY 227 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vhh s LYS 228 N -1.99 3.60 0.05 1.61 1.02 -1.26 -2.17 119.74 120.60 2vhh s LYS 228 Ca 0.00 0.15 0.05 0.00 0.02 0.00 0.00 55.97 56.19 2vhh s LYS 228 Cb 0.00 -3.87 -0.04 0.00 -0.52 0.00 0.00 37.83 33.40 2vhh s LYS 228 CO 0.00 -1.01 -0.08 -0.51 -0.92 0.00 0.00 175.35 172.83 2vhh s LEU 229 N 3.28 3.12 0.14 3.17 1.43 0.05 -0.27 118.68 129.60 2vhh s LEU 229 Ca 0.32 -0.26 -0.00 0.00 -1.03 0.00 0.00 54.13 53.16 2vhh s LEU 229 Cb -0.12 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 2vhh s LEU 229 CO 0.21 0.23 0.03 0.00 0.23 0.00 0.00 176.35 177.05 2vhh s ALA 230 N -1.11 0.99 -0.14 4.21 0.00 -0.22 0.17 121.76 125.67 2vhh s ALA 230 Ca 0.19 -1.49 -0.01 0.00 0.00 0.00 0.00 51.96 50.65 2vhh s ALA 230 Cb -0.11 0.71 0.04 0.00 0.00 0.00 0.00 23.12 23.76 2vhh s ALA 230 CO 0.11 -0.42 -0.01 0.08 0.00 0.00 0.00 175.76 175.51 2vhh s VAL 231 N -3.91 0.71 -0.34 0.00 1.01 -1.26 -0.62 120.40 115.99 2vhh s VAL 231 Ca 0.23 -0.33 -0.18 0.00 0.00 0.00 0.00 61.98 61.70 2vhh s VAL 231 Cb 0.07 -0.95 -0.01 0.00 0.00 0.00 0.00 36.38 35.49 2vhh s VAL 231 CO 0.01 0.11 0.49 0.21 0.00 0.00 0.00 175.10 175.93 2vhh s ASN 232 N 1.81 6.31 -0.42 3.32 3.84 0.57 -4.95 114.94 125.42 2vhh s ASN 232 Ca 0.02 -0.00 -0.22 0.00 0.21 0.00 0.00 52.86 52.87 2vhh s ASN 232 Cb -0.14 -2.26 0.02 0.00 -0.55 0.00 0.00 41.25 38.32 2vhh s ASN 232 CO -0.07 -0.44 0.70 -0.63 -2.79 0.00 0.00 177.10 173.86 2vhh s ILE 233 N 2.33 4.78 0.00 -5.21 1.01 -1.26 -3.67 121.20 119.18 2vhh s ILE 233 Ca 0.18 0.36 0.00 0.00 0.00 0.00 0.00 60.65 61.19 2vhh s ILE 233 Cb -0.16 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.10 2vhh s ILE 233 CO 0.13 -0.57 0.00 0.00 0.00 0.00 0.00 174.94 174.50 2vhh h TYR 235 N 0.00 0.00 0.00 0.00 3.20 -1.88 -0.02 116.97 118.27 2vhh h TYR 235 Ca 0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2vhh h TYR 235 Cb 0.00 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.27 2vhh h TYR 235 CO 0.00 0.00 -0.07 0.78 -1.64 0.00 0.00 178.16 177.23 2vhh h GLY 236 N 0.00 0.00 -1.01 1.82 0.00 -1.54 -2.21 103.07 100.13 2vhh h GLY 236 Ca 0.05 0.00 0.38 0.00 0.00 0.00 0.00 47.33 47.76 2vhh h GLY 236 CO -0.00 0.00 0.61 -2.13 0.00 0.00 0.00 176.54 175.02 2vhh n ARG 237 N -3.50 -0.04 0.00 4.80 0.63 -0.02 -0.97 116.66 117.56 2vhh n ARG 237 Ca -0.02 1.09 0.14 0.00 -0.92 0.00 0.00 57.85 58.14 2vhh n ARG 237 Cb 0.20 -2.06 0.56 0.00 0.45 0.00 0.00 32.46 31.60 2vhh n ARG 237 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 2vhh n HIS 238 N -4.59 0.00 -3.83 -0.14 8.25 -0.83 -4.68 115.22 109.40 2vhh n HIS 238 Ca 0.33 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.44 2vhh n HIS 238 Cb 1.21 -0.08 -0.12 0.00 1.12 0.00 0.00 29.99 32.12 2vhh n HIS 238 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2vhh s HIS 239 N -2.25 3.62 0.31 4.41 3.76 -0.14 -4.96 115.29 120.04 2vhh s HIS 239 Ca 0.33 -2.56 0.07 0.00 -0.15 0.00 0.00 55.06 52.75 2vhh s HIS 239 Cb 0.20 -3.16 0.77 0.00 1.11 0.00 0.00 32.58 31.50 2vhh s HIS 239 CO 0.42 -0.96 1.79 -1.35 -0.85 0.00 0.00 174.74 173.79 2vhh h PRO 240 N 7.90 0.72 -0.36 8.40 0.11 -1.83 -0.76 132.00 146.17 2vhh h PRO 240 Ca -0.11 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.95 2vhh h PRO 240 Cb 1.04 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.97 2vhh h PRO 240 CO 0.66 0.47 0.18 -0.56 -0.21 0.00 0.00 178.00 178.55 2vhh h GLN 241 N 0.74 0.50 0.71 1.05 -0.00 -1.94 0.04 115.11 116.21 2vhh h GLN 241 Ca 0.57 -0.05 -0.03 0.00 -0.00 0.00 0.00 58.65 59.14 2vhh h GLN 241 Cb 0.92 -0.10 0.01 0.00 -0.00 0.00 0.00 27.48 28.30 2vhh h GLN 241 CO -0.36 0.38 -0.34 -0.97 -0.00 0.00 0.00 178.83 177.54 2vhh h ASN 242 N 0.50 -0.81 -0.75 0.06 -1.24 -1.46 -1.96 115.58 109.93 2vhh h ASN 242 Ca 0.13 0.00 0.17 0.00 0.71 0.00 0.00 56.30 57.31 2vhh h ASN 242 Cb 0.04 0.21 -0.12 0.00 0.73 0.00 0.00 38.32 39.18 2vhh h ASN 242 CO -0.02 -0.50 0.11 -0.50 -1.29 0.00 0.00 177.43 175.24 2vhh h TRP 243 N -1.09 0.15 -0.81 0.67 4.06 -1.26 -2.36 115.95 115.31 2vhh h TRP 243 Ca -0.10 0.05 -0.04 0.00 2.06 0.00 0.00 58.89 60.86 2vhh h TRP 243 Cb 0.76 0.05 -0.04 0.00 -1.00 0.00 0.00 29.16 28.93 2vhh h TRP 243 CO -0.01 -0.16 0.36 1.98 -3.56 0.00 0.00 178.44 177.05 2vhh h MET 244 N 0.19 1.19 -0.25 0.49 4.05 -0.85 -2.44 114.93 117.31 2vhh h MET 244 Ca 0.43 -0.19 -0.15 0.00 -0.28 0.00 0.00 59.70 59.50 2vhh h MET 244 Cb 0.76 -0.21 -0.01 0.00 -0.80 0.00 0.00 31.60 31.34 2vhh h MET 244 CO -0.58 0.93 -0.47 1.98 0.23 0.00 0.00 176.91 179.00 2vhh h MET 245 N 1.17 0.67 -0.95 0.39 1.85 -0.82 0.11 114.93 117.35 2vhh h MET 245 Ca 0.28 -0.38 0.04 0.00 -0.61 0.00 0.00 59.70 59.03 2vhh h MET 245 Cb 0.16 0.03 -0.06 0.00 0.43 0.00 0.00 31.60 32.16 2vhh h MET 245 CO -0.03 0.99 0.61 0.74 -0.40 0.00 0.00 176.91 178.82 2vhh h PHE 246 N 0.53 1.15 -0.54 1.39 -1.00 -1.30 -0.88 116.94 116.28 2vhh h PHE 246 Ca 0.03 0.03 -0.03 0.00 2.81 0.00 0.00 57.97 60.80 2vhh h PHE 246 Cb 1.02 -0.38 -0.02 0.00 3.61 0.00 0.00 35.95 40.17 2vhh h PHE 246 CO 0.05 0.64 0.20 0.78 -1.61 0.00 0.00 178.31 178.37 2vhh h GLY 247 N 1.17 0.87 1.84 -1.45 0.00 -0.85 -2.43 103.07 102.22 2vhh h GLY 247 Ca 0.39 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 2vhh h GLY 247 CO -0.14 0.46 -0.05 1.41 0.00 0.00 0.00 176.54 178.22 2vhh h LEU 248 N 0.73 0.18 -0.12 3.11 3.38 -0.38 -0.38 115.31 121.84 2vhh h LEU 248 Ca 0.18 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2vhh h LEU 248 Cb 0.22 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2vhh h LEU 248 CO -0.01 0.27 0.00 0.59 0.09 0.00 0.00 178.44 179.38 2vhh n ASN 249 N -4.37 0.18 0.00 -0.43 3.02 -0.37 -4.92 115.26 108.38 2vhh n ASN 249 Ca -0.01 -1.44 0.00 0.00 -0.03 0.00 0.00 54.58 53.11 2vhh n ASN 249 Cb 0.20 -0.01 0.00 0.00 -0.61 0.00 0.00 39.78 39.36 2vhh n ASN 249 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2vhh n GLY 250 N 0.84 0.92 3.78 7.41 0.00 -0.15 -4.85 105.19 113.13 2vhh n GLY 250 Ca 0.15 -0.58 -0.36 0.00 0.00 0.00 0.00 46.02 45.22 2vhh n GLY 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2vhh s ALA 251 N -2.00 2.91 -0.12 4.61 0.00 -0.94 -4.82 121.76 121.40 2vhh s ALA 251 Ca 0.00 0.83 0.05 0.00 0.00 0.00 0.00 51.96 52.84 2vhh s ALA 251 Cb 0.00 -3.34 -0.11 0.00 0.00 0.00 0.00 23.12 19.67 2vhh s ALA 251 CO 0.00 -0.56 -0.04 0.39 0.00 0.00 0.00 175.76 175.55 2vhh n GLU 252 N -0.68 1.34 -4.05 0.00 1.02 0.63 -4.81 120.64 114.09 2vhh n GLU 252 Ca 0.08 0.03 -0.26 0.00 -0.02 0.00 0.00 57.16 57.00 2vhh n GLU 252 Cb 0.50 -1.27 -0.17 0.00 -0.02 0.00 0.00 31.44 30.48 2vhh n GLU 252 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2vhh s ILE 253 N -2.26 0.96 -0.25 -3.67 1.01 -1.05 -0.19 121.20 115.76 2vhh s ILE 253 Ca -0.11 -0.28 -0.04 0.00 0.00 0.00 0.00 60.65 60.22 2vhh s ILE 253 Cb 0.04 -0.97 0.01 0.00 0.01 0.00 0.00 42.46 41.54 2vhh s ILE 253 CO 0.37 0.35 -0.02 -0.69 0.00 0.00 0.00 174.94 174.94 2vhh s VAL 254 N 1.47 3.34 0.34 2.92 1.01 0.69 -1.05 120.40 129.12 2vhh s VAL 254 Ca -0.00 -0.71 -0.21 0.00 0.00 0.00 0.00 61.98 61.06 2vhh s VAL 254 Cb -0.13 -2.62 -0.10 0.00 0.00 0.00 0.00 36.38 33.53 2vhh s VAL 254 CO -0.05 0.28 0.86 -0.36 0.00 0.00 0.00 175.10 175.83 2vhh s PHE 255 N 1.43 3.48 -0.45 5.22 0.40 0.21 -1.36 117.98 126.90 2vhh s PHE 255 Ca 0.03 1.53 0.06 0.00 -0.60 0.00 0.00 56.93 57.95 2vhh s PHE 255 Cb -0.16 -2.76 0.22 0.00 0.51 0.00 0.00 43.02 40.84 2vhh s PHE 255 CO -0.02 0.09 0.50 -1.71 0.70 0.00 0.00 175.22 174.78 2vhh n ASN 256 N -0.04 0.70 -4.74 1.36 4.05 0.25 -0.31 115.26 116.53 2vhh n ASN 256 Ca 0.03 -2.75 -0.41 0.00 0.45 0.00 0.00 54.58 51.90 2vhh n ASN 256 Cb 0.52 -0.63 -0.03 0.00 1.23 0.00 0.00 39.78 40.88 2vhh n ASN 256 CO 0.00 0.00 0.00 -2.84 -3.05 0.00 0.00 177.26 171.37 2vhh s PRO 257 N -1.04 4.34 0.18 1.20 0.02 -1.24 -1.98 135.00 136.48 2vhh s PRO 257 Ca 0.34 2.17 -0.04 0.00 0.02 0.00 0.00 61.00 63.49 2vhh s PRO 257 Cb 0.12 -3.15 -0.03 0.00 0.02 0.00 0.00 34.50 31.46 2vhh s PRO 257 CO -0.13 -0.31 0.19 -1.12 -0.33 0.00 0.00 177.00 175.30 2vhh s SER 258 N 0.28 0.14 -0.35 2.53 0.01 0.63 -1.14 113.70 115.80 2vhh s SER 258 Ca 0.57 -1.17 0.02 0.00 1.31 0.00 0.00 55.95 56.68 2vhh s SER 258 Cb -0.39 0.40 0.15 0.00 0.21 0.00 0.00 66.02 66.39 2vhh s SER 258 CO 0.41 -0.86 0.34 0.00 0.41 0.00 0.00 173.24 173.55 2vhh s ALA 259 N -4.07 -0.35 -0.03 1.44 0.00 -1.26 -3.06 121.76 114.43 2vhh s ALA 259 Ca 0.28 -0.85 0.06 0.00 0.00 0.00 0.00 51.96 51.45 2vhh s ALA 259 Cb 0.05 -1.95 -0.01 0.00 0.00 0.00 0.00 23.12 21.21 2vhh s ALA 259 CO 0.06 -2.02 -0.20 0.95 0.00 0.00 0.00 175.76 174.55 2vhh s THR 260 N 1.67 1.61 0.12 0.00 -4.23 -1.26 -5.01 115.64 108.53 2vhh s THR 260 Ca 0.15 -0.85 0.09 0.00 -1.18 0.00 0.00 61.69 59.90 2vhh s THR 260 Cb -0.15 -1.35 -0.04 0.00 1.34 0.00 0.00 72.50 72.29 2vhh s THR 260 CO -0.11 0.46 -0.21 0.27 -0.54 0.00 0.00 174.62 174.49 2vhh s ILE 261 N -0.29 2.68 0.00 2.99 -4.36 -1.26 -3.48 121.20 117.48 2vhh s ILE 261 Ca 0.03 -1.56 0.00 0.00 -0.26 0.00 0.00 60.65 58.86 2vhh s ILE 261 Cb -0.10 -2.21 0.00 0.00 1.25 0.00 0.00 42.46 41.40 2vhh s ILE 261 CO 0.01 0.11 0.00 0.61 0.24 0.00 0.00 174.94 175.91 2vhh n GLY 262 N 0.87 3.69 0.26 6.27 0.00 -1.26 -4.56 105.19 110.45 2vhh n GLY 262 Ca -0.16 -1.75 -0.04 0.00 0.00 0.00 0.00 46.02 44.07 2vhh n GLY 262 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2vhh h ARG 263 N 0.00 0.59 0.00 1.61 -0.00 -2.01 -2.30 114.38 112.28 2vhh h ARG 263 Ca 0.00 -0.20 -0.08 0.00 -0.50 0.00 0.00 59.98 59.20 2vhh h ARG 263 Cb 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 29.97 29.91 2vhh h ARG 263 CO 0.00 0.74 -0.65 -0.07 0.00 0.00 0.00 179.97 179.98 2vhh h LEU 264 N 0.54 0.00 0.23 3.04 3.38 -2.05 -3.36 115.31 117.09 2vhh h LEU 264 Ca 0.09 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.72 2vhh h LEU 264 Cb 0.59 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.37 2vhh h LEU 264 CO 0.04 0.32 -1.56 -1.28 0.09 0.00 0.00 178.44 176.05 2vhh h SER 265 N 0.00 0.78 -0.81 -0.43 0.87 -1.76 -3.40 113.55 108.80 2vhh h SER 265 Ca -0.03 -0.93 0.01 0.00 -1.23 0.00 0.00 61.79 59.61 2vhh h SER 265 Cb 1.27 -0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 62.94 2vhh h SER 265 CO 0.04 1.74 0.53 -0.08 -0.53 0.00 0.00 176.83 178.52 2vhh h GLU 266 N 0.12 1.04 -0.37 2.24 4.81 -1.56 -2.07 114.58 118.80 2vhh h GLU 266 Ca -0.28 -0.06 0.11 0.00 -0.13 0.00 0.00 59.36 58.99 2vhh h GLU 266 Cb 2.14 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 31.27 2vhh h GLU 266 CO 0.24 0.69 0.29 -1.35 -0.73 0.00 0.00 179.01 178.15 2vhh h PRO 267 N 1.07 0.00 -0.00 0.92 0.11 -1.78 -1.59 132.00 130.73 2vhh h PRO 267 Ca 0.30 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.27 2vhh h PRO 267 Cb -0.09 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.00 2vhh h PRO 267 CO -0.08 0.00 -0.67 -0.07 -0.21 0.00 0.00 178.00 176.97 2vhh h LEU 268 N 0.00 0.00 -0.65 2.35 4.07 -1.62 -3.35 115.31 116.12 2vhh h LEU 268 Ca 0.18 -0.00 0.14 0.00 0.08 0.00 0.00 57.88 58.27 2vhh h LEU 268 Cb 0.75 -0.00 -0.11 0.00 1.08 0.00 0.00 40.66 42.37 2vhh h LEU 268 CO -0.00 0.67 -0.05 -0.25 -1.08 0.00 0.00 178.44 177.72 2vhh h TRP 269 N 0.00 -0.15 0.00 1.13 2.91 -1.28 0.64 115.95 119.21 2vhh h TRP 269 Ca -0.01 0.05 0.00 0.00 1.13 0.00 0.00 58.89 60.06 2vhh h TRP 269 Cb 1.19 0.17 0.00 0.00 -0.51 0.00 0.00 29.16 30.00 2vhh h TRP 269 CO 0.00 -0.22 0.00 -1.13 -1.03 0.00 0.00 178.44 176.06 2vhh n SER 270 N -5.35 0.00 -0.10 2.65 3.41 -1.26 -4.06 113.62 108.92 2vhh n SER 270 Ca 0.09 0.01 -0.18 0.00 -0.26 0.00 0.00 58.87 58.54 2vhh n SER 270 Cb 0.37 -0.30 -0.06 0.00 -0.26 0.00 0.00 64.21 63.96 2vhh n SER 270 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2vhh n ILE 271 N -1.30 1.38 0.21 -1.33 2.08 0.16 -4.48 119.36 116.08 2vhh n ILE 271 Ca 0.10 -0.11 -0.12 0.00 0.56 0.00 0.00 62.75 63.18 2vhh n ILE 271 Cb 0.18 -2.01 -0.07 0.00 -0.75 0.00 0.00 39.64 37.00 2vhh n ILE 271 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 2vhh h GLU 272 N -0.86 -0.55 -0.53 0.38 5.08 -1.54 0.77 114.58 117.33 2vhh h GLU 272 Ca -0.34 0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.08 2vhh h GLU 272 Cb 1.24 0.13 -0.03 0.00 0.50 0.00 0.00 28.75 30.58 2vhh h GLU 272 CO -0.21 -0.26 0.35 0.00 -1.00 0.00 0.00 179.01 177.90 2vhh h ALA 273 N -0.77 1.72 -0.37 3.43 0.00 -1.85 -1.82 119.26 119.60 2vhh h ALA 273 Ca -0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2vhh h ALA 273 Cb 0.55 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2vhh h ALA 273 CO 0.10 0.23 0.13 -0.09 0.00 0.00 0.00 179.25 179.62 2vhh h ARG 274 N 0.63 0.56 -0.43 0.00 9.65 -1.76 -2.89 114.38 120.14 2vhh h ARG 274 Ca 0.21 -0.11 -0.04 0.00 -1.10 0.00 0.00 59.98 58.94 2vhh h ARG 274 Cb 0.06 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.54 2vhh h ARG 274 CO -0.05 0.55 0.13 -0.97 2.80 0.00 0.00 179.97 182.43 2vhh h ASN 275 N 0.45 0.64 -0.87 -3.80 -0.73 -0.23 -2.90 115.58 108.14 2vhh h ASN 275 Ca 0.12 -0.21 0.10 0.00 1.87 0.00 0.00 56.30 58.18 2vhh h ASN 275 Cb 0.21 -0.17 -0.08 0.00 0.27 0.00 0.00 38.32 38.56 2vhh h ASN 275 CO -0.01 0.69 0.51 0.00 -0.37 0.00 0.00 177.43 178.24 2vhh h ALA 276 N 0.98 1.25 -0.77 1.57 0.00 -1.29 0.56 119.26 121.57 2vhh h ALA 276 Ca 0.14 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2vhh h ALA 276 Cb 0.28 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2vhh h ALA 276 CO -0.00 0.12 0.49 0.00 0.00 0.00 0.00 179.25 179.86 2vhh h ALA 277 N 1.48 0.98 0.09 0.00 0.00 -1.37 -1.84 119.26 118.58 2vhh h ALA 277 Ca 0.42 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.26 2vhh h ALA 277 Cb 0.40 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2vhh h ALA 277 CO -0.25 0.41 -0.04 0.82 0.00 0.00 0.00 179.25 180.18 2vhh h ILE 278 N 1.04 1.15 -0.68 0.00 2.04 -0.95 -1.37 117.51 118.74 2vhh h ILE 278 Ca 0.28 -1.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.11 2vhh h ILE 278 Cb -0.09 1.78 -0.03 0.00 -0.74 0.00 0.00 36.82 37.74 2vhh h ILE 278 CO -0.06 0.24 0.30 0.00 0.00 0.00 0.00 178.15 178.64 2vhh h ALA 279 N 0.24 1.25 -0.09 1.87 0.00 -0.97 -3.15 119.26 118.42 2vhh h ALA 279 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2vhh h ALA 279 Cb 0.49 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2vhh h ALA 279 CO 0.02 0.57 0.00 0.09 0.00 0.00 0.00 179.25 179.93 2vhh n ASN 280 N -4.32 2.83 -3.86 0.00 3.02 -0.70 -4.83 115.26 107.40 2vhh n ASN 280 Ca 0.06 -1.88 -0.25 0.00 -0.03 0.00 0.00 54.58 52.49 2vhh n ASN 280 Cb 0.15 -0.05 0.00 0.00 -0.61 0.00 0.00 39.78 39.28 2vhh n ASN 280 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2vhh n SER 281 N 1.19 -1.28 -3.22 6.41 7.64 -0.54 -4.94 113.62 118.87 2vhh n SER 281 Ca 0.13 -0.91 -0.19 0.00 1.01 0.00 0.00 58.87 58.91 2vhh n SER 281 Cb 0.52 -3.52 -0.08 0.00 -1.01 0.00 0.00 64.21 60.12 2vhh n SER 281 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2vhh n TYR 282 N -4.38 -0.72 -3.37 1.43 -0.00 -1.07 -4.63 117.16 104.42 2vhh n TYR 282 Ca -0.25 -2.73 -0.33 0.00 -0.00 0.00 0.00 57.90 54.59 2vhh n TYR 282 Cb 0.66 0.27 -0.06 0.00 -0.00 0.00 0.00 39.34 40.21 2vhh n TYR 282 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.86 176.80 2vhh s PHE 283 N -3.31 3.48 -0.04 -3.48 0.40 0.73 -3.01 117.98 112.75 2vhh s PHE 283 Ca 0.38 0.97 0.03 0.00 -0.60 0.00 0.00 56.93 57.71 2vhh s PHE 283 Cb 0.02 -2.32 0.00 0.00 0.51 0.00 0.00 43.02 41.23 2vhh s PHE 283 CO 0.27 0.30 -0.12 0.99 0.70 0.00 0.00 175.22 177.36 2vhh s THR 284 N -1.72 1.07 -0.56 0.64 2.01 -0.46 -0.22 115.64 116.40 2vhh s THR 284 Ca 0.45 -0.50 0.04 0.00 0.31 0.00 0.00 61.69 62.00 2vhh s THR 284 Cb -0.12 -0.95 0.16 0.00 0.01 0.00 0.00 72.50 71.60 2vhh s THR 284 CO 0.20 0.33 0.40 -0.69 -0.69 0.00 0.00 174.62 174.17 2vhh s VAL 285 N 0.29 1.79 -0.08 3.82 1.01 -0.46 -1.08 120.40 125.69 2vhh s VAL 285 Ca -0.07 -3.45 -0.30 0.00 0.00 0.00 0.00 61.98 58.16 2vhh s VAL 285 Cb -0.12 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 2vhh s VAL 285 CO 0.02 -1.07 1.11 -2.16 0.00 0.00 0.00 175.10 173.00 2vhh s PRO 286 N -0.65 4.38 -0.12 2.72 0.04 -1.19 -0.58 135.00 139.60 2vhh s PRO 286 Ca 0.26 1.53 0.02 0.00 0.04 0.00 0.00 61.00 62.86 2vhh s PRO 286 Cb -0.05 -3.55 0.01 0.00 0.04 0.00 0.00 34.50 30.95 2vhh s PRO 286 CO -0.15 -0.39 -0.19 0.42 0.04 0.00 0.00 177.00 176.73 2vhh s ILE 287 N 2.16 1.81 0.03 0.56 1.01 -0.84 -2.31 121.20 123.63 2vhh s ILE 287 Ca 0.52 -0.83 0.09 0.00 0.00 0.00 0.00 60.65 60.42 2vhh s ILE 287 Cb -0.21 -1.62 -0.03 0.00 0.01 0.00 0.00 42.46 40.61 2vhh s ILE 287 CO 0.20 0.50 -0.25 0.21 0.00 0.00 0.00 174.94 175.59 2vhh s ASN 288 N 0.84 3.03 0.96 3.58 2.47 -1.26 -0.27 114.94 124.29 2vhh s ASN 288 Ca -0.08 -0.55 -0.12 0.00 0.42 0.00 0.00 52.86 52.53 2vhh s ASN 288 Cb -0.15 -0.29 0.07 0.00 -1.45 0.00 0.00 41.25 39.43 2vhh s ASN 288 CO -0.01 0.26 0.57 -1.14 -3.72 0.00 0.00 177.10 173.07 2vhh n ARG 289 N 1.94 -0.46 -4.11 0.43 0.63 -1.18 -4.31 116.66 109.61 2vhh n ARG 289 Ca -0.17 -0.09 -0.14 0.00 -0.92 0.00 0.00 57.85 56.53 2vhh n ARG 289 Cb 0.52 -1.98 -0.11 0.00 0.45 0.00 0.00 32.46 31.34 2vhh n ARG 289 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2vhh s VAL 290 N -2.45 0.74 0.00 5.15 0.11 -1.10 -1.39 120.40 121.47 2vhh s VAL 290 Ca 0.59 -1.26 0.00 0.00 -2.93 0.00 0.00 61.98 58.39 2vhh s VAL 290 Cb -0.21 -0.88 0.00 0.00 -1.53 0.00 0.00 36.38 33.76 2vhh s VAL 290 CO 0.65 -0.39 0.00 0.61 -3.33 0.00 0.00 175.10 172.64 2vhh n GLY 291 N 1.22 -0.30 3.67 6.54 0.00 -1.06 -3.95 105.19 111.31 2vhh n GLY 291 Ca -0.21 -1.77 -0.33 0.00 0.00 0.00 0.00 46.02 43.71 2vhh n GLY 291 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2vhh s THR 292 N -1.77 4.07 -0.13 2.61 -1.32 -1.26 -1.54 115.64 116.30 2vhh s THR 292 Ca 0.00 -0.61 -0.00 0.00 -1.21 0.00 0.00 61.69 59.86 2vhh s THR 292 Cb 0.00 -2.80 0.03 0.00 -1.51 0.00 0.00 72.50 68.22 2vhh s THR 292 CO 0.00 0.39 -0.07 -1.61 -2.21 0.00 0.00 174.62 171.12 2vhh s GLU 293 N -1.50 1.48 0.32 7.08 2.02 -1.26 -5.01 118.70 121.83 2vhh s GLU 293 Ca 0.19 -0.32 0.08 0.00 0.02 0.00 0.00 54.97 54.94 2vhh s GLU 293 Cb -0.11 -1.70 -0.03 0.00 0.10 0.00 0.00 34.13 32.38 2vhh s GLU 293 CO 0.09 -0.32 0.20 1.14 0.02 0.00 0.00 175.26 176.40 2vhh s GLN 294 N 1.69 2.60 0.00 1.61 -2.07 -1.26 -5.04 119.66 117.20 2vhh s GLN 294 Ca 0.04 -1.35 0.00 0.00 -1.82 0.00 0.00 55.36 52.23 2vhh s GLN 294 Cb -0.13 -2.36 0.00 0.00 -1.09 0.00 0.00 33.01 29.42 2vhh s GLN 294 CO -0.08 0.17 0.00 1.19 -1.32 0.00 0.00 175.29 175.25 2vhh n PHE 295 N -1.23 0.00 -3.99 9.60 3.72 -1.26 -4.45 117.46 119.85 2vhh n PHE 295 Ca -0.04 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.06 2vhh n PHE 295 Cb 0.60 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.98 2vhh n PHE 295 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2vhh s PRO 313 N -0.54 2.03 0.07 -1.08 0.04 -1.26 -5.04 135.00 129.21 2vhh s PRO 313 Ca 0.00 -0.81 -0.30 0.00 0.04 0.00 0.00 61.00 59.92 2vhh s PRO 313 Cb 0.00 -2.38 -0.06 0.00 0.04 0.00 0.00 34.50 32.10 2vhh s PRO 313 CO 0.00 -0.42 1.18 -0.06 0.04 0.00 0.00 177.00 177.74 2vhh s PHE 314 N 1.41 3.46 -0.34 0.56 0.40 -0.59 -4.34 117.98 118.54 2vhh s PHE 314 Ca -0.01 1.35 0.11 0.00 -0.60 0.00 0.00 56.93 57.79 2vhh s PHE 314 Cb -0.16 -3.39 0.72 0.00 0.51 0.00 0.00 43.02 40.70 2vhh s PHE 314 CO -0.08 -1.14 1.63 2.48 0.70 0.00 0.00 175.22 178.80 2vhh n TYR 315 N 3.80 1.94 0.00 0.36 0.18 -1.23 -2.55 117.16 119.67 2vhh n TYR 315 Ca 0.08 -0.75 0.00 0.00 1.88 0.00 0.00 57.90 59.12 2vhh n TYR 315 Cb 0.47 -0.51 0.00 0.00 -0.38 0.00 0.00 39.34 38.92 2vhh n TYR 315 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2vhh n GLY 316 N 0.41 2.41 2.32 -7.48 0.00 -0.48 -4.35 105.19 98.01 2vhh n GLY 316 Ca 0.27 0.36 -0.16 0.00 0.00 0.00 0.00 46.02 46.50 2vhh n GLY 316 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2vhh n SER 317 N 4.17 -4.70 -4.76 1.61 7.64 -0.46 -4.27 113.62 112.85 2vhh n SER 317 Ca 0.00 0.04 -0.40 0.00 1.01 0.00 0.00 58.87 59.52 2vhh n SER 317 Cb 0.00 -3.80 0.02 0.00 -1.01 0.00 0.00 64.21 59.42 2vhh n SER 317 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2vhh s SER 318 N -2.37 5.85 0.29 6.43 0.01 -1.26 -4.35 113.70 118.30 2vhh s SER 318 Ca 0.00 2.88 -0.01 0.00 1.31 0.00 0.00 55.95 60.12 2vhh s SER 318 Cb 0.00 -2.65 0.01 0.00 0.21 0.00 0.00 66.02 63.59 2vhh s SER 318 CO 0.00 -1.19 0.39 0.00 0.41 0.00 0.00 173.24 172.86 2vhh n TYR 319 N -0.25 -1.24 -4.18 2.43 4.11 -0.98 -0.75 117.16 116.29 2vhh n TYR 319 Ca 0.06 -1.94 -0.21 0.00 -0.00 0.00 0.00 57.90 55.81 2vhh n TYR 319 Cb 0.42 0.44 -0.16 0.00 -0.00 0.00 0.00 39.34 40.04 2vhh n TYR 319 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 2vhh s VAL 320 N -2.76 0.60 -0.10 -3.48 1.01 -1.26 -3.18 120.40 111.23 2vhh s VAL 320 Ca 0.24 -0.15 -0.04 0.00 0.00 0.00 0.00 61.98 62.03 2vhh s VAL 320 Cb -0.01 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 2vhh s VAL 320 CO 0.17 0.24 0.04 0.00 0.00 0.00 0.00 175.10 175.56 2vhh s ALA 321 N 0.95 3.46 0.13 5.51 0.00 -0.24 -0.31 121.76 131.27 2vhh s ALA 321 Ca -0.10 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.13 2vhh s ALA 321 Cb -0.14 -1.65 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 2vhh s ALA 321 CO 0.00 0.57 0.21 0.00 0.00 0.00 0.00 175.76 176.53 2vhh s ALA 322 N -0.82 3.82 -0.12 0.00 0.00 0.16 -1.35 121.76 123.45 2vhh s ALA 322 Ca 0.13 -1.04 0.27 0.00 0.00 0.00 0.00 51.96 51.31 2vhh s ALA 322 Cb -0.12 -1.64 1.33 0.00 0.00 0.00 0.00 23.12 22.70 2vhh s ALA 322 CO 0.03 0.61 1.82 -1.00 0.00 0.00 0.00 175.76 177.21 2vhh h PRO 323 N 2.51 0.00 -0.23 0.00 0.13 -1.72 -1.55 132.00 131.13 2vhh h PRO 323 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2vhh h PRO 323 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2vhh h PRO 323 CO 0.68 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.05 2vhh n ASP 324 N -2.46 1.58 0.00 1.44 5.75 -1.26 -4.52 116.55 117.07 2vhh n ASP 324 Ca -0.00 -1.84 0.00 0.00 -0.01 0.00 0.00 54.79 52.94 2vhh n ASP 324 Cb 0.13 -0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.06 2vhh n ASP 324 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2vhh n GLY 325 N 1.05 0.35 3.88 6.12 0.00 -0.58 -5.06 105.19 110.94 2vhh n GLY 325 Ca 0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 2vhh n GLY 325 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vhh s SER 326 N -2.29 6.26 0.03 1.61 1.04 -1.25 -4.25 113.70 114.85 2vhh s SER 326 Ca 0.00 1.33 -0.23 0.00 0.48 0.00 0.00 55.95 57.53 2vhh s SER 326 Cb 0.00 -2.43 0.05 0.00 0.10 0.00 0.00 66.02 63.74 2vhh s SER 326 CO 0.00 -0.80 0.53 0.00 0.98 0.00 0.00 173.24 173.95 2vhh s ARG 327 N -5.04 1.02 0.60 4.02 1.70 -1.26 0.39 118.95 120.37 2vhh s ARG 327 Ca 0.54 -0.16 -0.18 0.00 -0.47 0.00 0.00 55.73 55.46 2vhh s ARG 327 Cb -0.11 0.47 -0.03 0.00 -0.57 0.00 0.00 34.95 34.71 2vhh s ARG 327 CO 0.51 -0.36 1.15 0.99 -1.08 0.00 0.00 175.30 176.52 2vhh s THR 328 N -2.21 2.95 0.45 4.99 2.01 0.58 -4.42 115.64 119.99 2vhh s THR 328 Ca -0.07 0.55 -0.25 0.00 0.31 0.00 0.00 61.69 62.24 2vhh s THR 328 Cb -0.01 -3.17 -0.08 0.00 0.01 0.00 0.00 72.50 69.26 2vhh s THR 328 CO 0.00 -0.17 1.37 -2.84 -0.69 0.00 0.00 174.62 172.29 2vhh s PRO 329 N -3.51 3.69 0.50 4.92 0.02 -1.26 -4.62 135.00 134.74 2vhh s PRO 329 Ca 0.73 2.29 -0.22 0.00 0.02 0.00 0.00 61.00 63.82 2vhh s PRO 329 Cb -0.26 -2.62 -0.06 0.00 0.02 0.00 0.00 34.50 31.59 2vhh s PRO 329 CO 0.33 -0.77 1.21 -1.12 -0.33 0.00 0.00 177.00 176.33 2vhh s SER 330 N -0.68 5.79 1.28 2.53 0.01 -1.26 -4.79 113.70 116.59 2vhh s SER 330 Ca 0.61 2.42 -0.20 0.00 1.31 0.00 0.00 55.95 60.09 2vhh s SER 330 Cb -0.41 -2.61 0.32 0.00 0.21 0.00 0.00 66.02 63.53 2vhh s SER 330 CO 0.52 -1.19 1.03 -0.76 0.41 0.00 0.00 173.24 173.26 2vhh s LEU 331 N -3.34 0.02 0.85 2.44 1.43 0.07 -4.88 118.68 115.26 2vhh s LEU 331 Ca 0.68 0.79 -0.14 0.00 -1.03 0.00 0.00 54.13 54.43 2vhh s LEU 331 Cb -0.31 -2.42 0.03 0.00 0.03 0.00 0.00 46.19 43.52 2vhh s LEU 331 CO 0.37 -4.60 0.67 -0.24 0.23 0.00 0.00 176.35 172.78 2vhh n SER 332 N -5.11 -0.95 -0.09 2.29 2.88 -1.26 -3.77 113.62 107.61 2vhh n SER 332 Ca 0.12 0.48 0.11 0.00 -1.33 0.00 0.00 58.87 58.25 2vhh n SER 332 Cb 0.59 -1.30 0.10 0.00 -0.75 0.00 0.00 64.21 62.85 2vhh n SER 332 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2vhh n ARG 333 N -1.91 0.25 0.00 -1.46 1.74 -0.50 -1.35 116.66 113.43 2vhh n ARG 333 Ca 0.10 -0.18 0.00 0.00 -0.77 0.00 0.00 57.85 56.99 2vhh n ARG 333 Cb 0.52 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 2vhh n ARG 333 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2vhh n ASP 334 N -1.21 0.64 -4.76 0.55 3.85 -1.26 -3.90 116.55 110.45 2vhh n ASP 334 Ca 0.06 -0.02 -0.33 0.00 -0.71 0.00 0.00 54.79 53.79 2vhh n ASP 334 Cb 0.35 0.17 -0.07 0.00 -1.35 0.00 0.00 41.12 40.21 2vhh n ASP 334 CO 0.00 0.00 0.00 -0.75 -1.01 0.00 0.00 177.20 175.44 2vhh s LYS 335 N -0.30 3.01 0.50 0.11 2.20 -1.26 -4.46 119.74 119.54 2vhh s LYS 335 Ca 0.00 -0.51 -0.22 0.00 -0.36 0.00 0.00 55.97 54.88 2vhh s LYS 335 Cb 0.00 -2.82 -0.07 0.00 -1.51 0.00 0.00 37.83 33.43 2vhh s LYS 335 CO 0.00 0.64 1.20 -0.25 -0.36 0.00 0.00 175.35 176.58 2vhh n ASP 336 N 1.25 2.03 -3.77 1.43 9.92 -1.26 -4.64 116.55 121.50 2vhh n ASP 336 Ca -0.13 0.99 -0.11 0.00 -0.53 0.00 0.00 54.79 55.00 2vhh n ASP 336 Cb 0.53 -1.48 -0.07 0.00 -0.64 0.00 0.00 41.12 39.45 2vhh n ASP 336 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 2vhh s GLY 337 N -0.85 -0.10 -0.12 0.44 0.00 -0.55 -0.96 107.32 105.19 2vhh s GLY 337 Ca 0.68 -0.05 0.03 0.00 0.00 0.00 0.00 44.72 45.37 2vhh s GLY 337 CO 0.52 -0.26 -0.20 -2.27 0.00 0.00 0.00 173.10 170.89 2vhh s LEU 338 N -2.11 1.96 -0.35 0.66 2.96 0.01 -1.74 118.68 120.07 2vhh s LEU 338 Ca -0.04 -0.52 -0.04 0.00 -0.22 0.00 0.00 54.13 53.30 2vhh s LEU 338 Cb -0.01 -1.29 0.06 0.00 0.50 0.00 0.00 46.19 45.45 2vhh s LEU 338 CO -0.04 0.07 0.11 -0.22 -1.32 0.00 0.00 176.35 174.96 2vhh s LEU 339 N 0.76 4.49 -0.22 -0.68 2.96 -0.10 -2.13 118.68 123.76 2vhh s LEU 339 Ca -0.10 -1.43 -0.11 0.00 -0.22 0.00 0.00 54.13 52.27 2vhh s LEU 339 Cb -0.16 -1.82 -0.05 0.00 0.50 0.00 0.00 46.19 44.66 2vhh s LEU 339 CO 0.01 -0.38 0.20 -0.69 -1.32 0.00 0.00 176.35 174.17 2vhh s VAL 340 N 1.30 5.35 -0.06 1.68 1.01 -0.49 -1.28 120.40 127.89 2vhh s VAL 340 Ca -0.00 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.28 2vhh s VAL 340 Cb -0.21 -3.54 0.02 0.00 0.00 0.00 0.00 36.38 32.66 2vhh s VAL 340 CO -0.00 0.36 -0.04 0.54 0.00 0.00 0.00 175.10 175.96 2vhh s VAL 341 N 0.83 0.60 0.02 2.92 0.11 -0.55 -1.40 120.40 122.94 2vhh s VAL 341 Ca 0.10 -0.11 -0.18 0.00 -2.93 0.00 0.00 61.98 58.87 2vhh s VAL 341 Cb -0.13 -0.65 -0.06 0.00 -1.53 0.00 0.00 36.38 34.01 2vhh s VAL 341 CO 0.03 0.26 0.51 -0.70 -3.33 0.00 0.00 175.10 171.87 2vhh s GLU 342 N 1.25 4.14 0.01 1.54 2.12 -0.21 -1.69 118.70 125.85 2vhh s GLU 342 Ca -0.05 0.60 -0.08 0.00 0.36 0.00 0.00 54.97 55.79 2vhh s GLU 342 Cb -0.14 -3.27 0.00 0.00 0.26 0.00 0.00 34.13 30.99 2vhh s GLU 342 CO -0.02 0.57 0.15 -0.48 -0.54 0.00 0.00 175.26 174.94 2vhh s LEU 343 N -0.79 1.51 -0.39 2.70 0.05 0.20 -0.09 118.68 121.88 2vhh s LEU 343 Ca 0.27 -0.25 -0.16 0.00 0.05 0.00 0.00 54.13 54.05 2vhh s LEU 343 Cb -0.18 0.74 0.01 0.00 -2.05 0.00 0.00 46.19 44.71 2vhh s LEU 343 CO 0.16 -0.41 0.36 -0.62 -0.55 0.00 0.00 176.35 175.29 2vhh s ASP 344 N -1.55 6.15 0.00 1.48 -1.08 -1.22 -0.53 116.67 119.92 2vhh s ASP 344 Ca -0.13 -0.63 0.05 0.00 -0.52 0.00 0.00 52.55 51.33 2vhh s ASP 344 Cb -0.06 -2.19 0.26 0.00 -1.46 0.00 0.00 42.92 39.47 2vhh s ASP 344 CO 0.00 -0.46 1.06 0.18 0.52 0.00 0.00 175.17 176.48 2vhh n LEU 345 N 5.37 0.00 0.11 -1.34 4.77 -0.39 -1.73 117.00 123.79 2vhh n LEU 345 Ca -0.09 0.35 0.12 0.00 -0.03 0.00 0.00 56.01 56.35 2vhh n LEU 345 Cb 0.48 -0.35 0.46 0.00 -2.33 0.00 0.00 43.42 41.68 2vhh n LEU 345 CO 0.42 -0.29 0.86 0.59 -1.33 0.00 0.00 177.39 177.64 2vhh n ASN 346 N -1.35 0.62 0.04 -1.43 4.13 -1.26 -3.17 115.26 112.84 2vhh n ASN 346 Ca 0.02 0.62 -0.00 0.00 1.68 0.00 0.00 54.58 56.90 2vhh n ASN 346 Cb 0.05 -0.76 0.29 0.00 -1.54 0.00 0.00 39.78 37.82 2vhh n ASN 346 CO 0.00 0.00 0.00 0.25 0.28 0.00 0.00 177.26 177.79 2vhh h LEU 347 N 0.00 0.39 -0.11 3.41 5.85 -1.66 -3.12 115.31 120.08 2vhh h LEU 347 Ca 0.00 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.66 2vhh h LEU 347 Cb 0.46 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 2vhh h LEU 347 CO 0.00 0.56 -0.49 0.00 -0.34 0.00 0.00 178.44 178.17 2vhh h ARG 349 N -0.56 0.90 -0.77 0.00 2.43 -1.78 -1.96 114.38 112.64 2vhh h ARG 349 Ca 0.05 -0.22 0.01 0.00 -0.81 0.00 0.00 59.98 59.00 2vhh h ARG 349 Cb 0.67 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.07 2vhh h ARG 349 CO -0.41 0.85 0.50 1.96 -1.51 0.00 0.00 179.97 181.36 2vhh h GLN 350 N 0.81 1.02 -0.29 0.20 4.20 -1.41 0.22 115.11 119.87 2vhh h GLN 350 Ca 0.18 -0.07 -0.18 0.00 0.06 0.00 0.00 58.65 58.64 2vhh h GLN 350 Cb 0.35 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 27.90 2vhh h GLN 350 CO 0.00 0.68 -0.53 0.28 -0.67 0.00 0.00 178.83 178.60 2vhh h VAL 351 N 1.05 1.28 -0.18 -0.54 2.07 -0.96 -2.27 116.25 116.70 2vhh h VAL 351 Ca 0.28 -1.72 0.02 0.00 0.82 0.00 0.00 66.70 66.10 2vhh h VAL 351 Cb -0.11 1.62 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 2vhh h VAL 351 CO -0.06 0.56 0.06 0.11 0.02 0.00 0.00 177.57 178.26 2vhh h LYS 352 N 0.65 0.14 -0.80 1.57 1.57 -0.38 0.93 116.57 120.24 2vhh h LYS 352 Ca 0.02 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2vhh h LYS 352 Cb 1.12 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 33.36 2vhh h LYS 352 CO 0.12 0.09 0.44 -0.44 -0.57 0.00 0.00 179.45 179.09 2vhh h ASP 353 N 0.14 1.00 0.08 0.86 3.32 -0.64 -1.60 116.42 119.58 2vhh h ASP 353 Ca 0.08 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 2vhh h ASP 353 Cb 0.05 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.35 2vhh h ASP 353 CO -0.08 0.81 -0.04 0.15 -1.72 0.00 0.00 179.24 178.36 2vhh h PHE 354 N 1.13 -0.10 0.00 4.55 3.57 -0.91 -3.37 116.94 121.81 2vhh h PHE 354 Ca 0.28 -0.00 -0.13 0.00 3.53 0.00 0.00 57.97 61.65 2vhh h PHE 354 Cb 0.03 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.78 2vhh h PHE 354 CO 0.01 0.32 -0.70 -1.49 -2.23 0.00 0.00 178.31 174.22 2vhh h TRP 355 N -0.97 0.00 -3.19 0.41 6.55 -0.94 -3.48 115.95 114.33 2vhh h TRP 355 Ca -0.01 0.00 -0.29 0.00 0.95 0.00 0.00 58.89 59.54 2vhh h TRP 355 Cb 0.46 0.00 0.04 0.00 -0.86 0.00 0.00 29.16 28.80 2vhh h TRP 355 CO 0.10 0.60 -0.43 0.41 -1.05 0.00 0.00 178.44 178.07 2vhh n GLY 356 N 1.27 -0.17 0.22 1.49 0.00 -0.60 -4.94 105.19 102.45 2vhh n GLY 356 Ca 0.00 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 2vhh n GLY 356 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2vhh h PHE 357 N -0.90 0.74 -0.21 1.61 0.05 -1.88 -2.49 116.94 113.85 2vhh h PHE 357 Ca -0.37 -0.26 -0.19 0.00 3.82 0.00 0.00 57.97 60.97 2vhh h PHE 357 Cb 1.26 -0.14 0.00 0.00 2.00 0.00 0.00 35.95 39.07 2vhh h PHE 357 CO 0.37 1.00 -0.64 0.00 -0.18 0.00 0.00 178.31 178.86 2vhh h ARG 358 N 0.46 0.75 -0.81 1.51 2.47 -1.88 -2.79 114.38 114.08 2vhh h ARG 358 Ca 0.01 -0.52 0.11 0.00 -1.26 0.00 0.00 59.98 58.32 2vhh h ARG 358 Cb 1.08 0.08 -0.06 0.00 -1.65 0.00 0.00 29.97 29.43 2vhh h ARG 358 CO 0.10 1.15 0.53 1.98 0.56 0.00 0.00 179.97 184.29 2vhh h MET 359 N 0.55 0.67 -0.29 0.04 4.05 -1.86 -3.05 114.93 115.04 2vhh h MET 359 Ca -0.01 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.36 2vhh h MET 359 Cb 1.24 -0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 31.88 2vhh h MET 359 CO 0.13 0.45 0.00 0.25 0.23 0.00 0.00 176.91 177.97 2vhh n THR 360 N -4.51 2.33 0.04 -0.77 -2.24 -0.95 -4.68 114.28 103.49 2vhh n THR 360 Ca 0.14 -1.87 -0.05 0.00 -2.27 0.00 0.00 64.05 60.00 2vhh n THR 360 Cb 0.37 -0.26 0.16 0.00 -2.10 0.00 0.00 70.33 68.50 2vhh n THR 360 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2vhh h GLN 361 N 1.93 0.42 -6.09 -0.78 4.20 -1.39 -3.48 115.11 109.93 2vhh h GLN 361 Ca 0.01 -0.21 -0.43 0.00 0.06 0.00 0.00 58.65 58.08 2vhh h GLN 361 Cb 1.49 -0.00 0.04 0.00 0.30 0.00 0.00 27.48 29.32 2vhh h GLN 361 CO 0.25 0.76 -0.75 0.54 -0.67 0.00 0.00 178.83 178.95 2vhh n ARG 362 N -4.03 -6.18 -0.32 1.46 1.74 -1.26 -4.86 116.66 103.20 2vhh n ARG 362 Ca -0.02 0.68 0.13 0.00 -0.77 0.00 0.00 57.85 57.88 2vhh n ARG 362 Cb 0.50 -5.57 0.31 0.00 -1.02 0.00 0.00 32.46 26.68 2vhh n ARG 362 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 2vhh h VAL 363 N -2.21 0.59 -1.01 1.55 -1.51 -1.94 0.45 116.25 112.18 2vhh h VAL 363 Ca -0.58 -0.20 0.03 0.00 -1.23 0.00 0.00 66.70 64.72 2vhh h VAL 363 Cb 1.37 -0.03 -0.06 0.00 -2.13 0.00 0.00 31.29 30.44 2vhh h VAL 363 CO 0.61 0.10 0.66 -0.65 -1.23 0.00 0.00 177.57 177.07 2vhh h PRO 364 N 0.57 1.26 -0.25 5.19 0.11 -1.99 0.23 132.00 137.12 2vhh h PRO 364 Ca 0.57 -0.08 0.03 0.00 0.11 0.00 0.00 66.00 66.63 2vhh h PRO 364 Cb 0.99 -0.28 -0.03 0.00 0.11 0.00 0.00 31.00 31.78 2vhh h PRO 364 CO -0.45 0.83 0.07 1.25 -0.21 0.00 0.00 178.00 179.50 2vhh h LEU 365 N 1.30 0.07 -0.71 2.35 5.85 -1.29 -2.40 115.31 120.48 2vhh h LEU 365 Ca 0.39 0.03 -0.14 0.00 0.84 0.00 0.00 57.88 59.01 2vhh h LEU 365 Cb -0.03 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 2vhh h LEU 365 CO -0.12 0.07 -0.50 1.88 -0.34 0.00 0.00 178.44 179.43 2vhh h TYR 366 N 0.18 0.44 -0.55 1.25 -1.99 -1.04 -1.34 116.97 113.92 2vhh h TYR 366 Ca 0.11 -0.14 0.05 0.00 2.00 0.00 0.00 58.73 60.74 2vhh h TYR 366 Cb 0.09 -0.09 -0.05 0.00 2.00 0.00 0.00 36.73 38.68 2vhh h TYR 366 CO -0.13 0.79 0.29 0.00 -0.00 0.00 0.00 178.16 179.11 2vhh h ALA 367 N 1.18 0.72 -0.25 3.88 0.00 -0.40 0.29 119.26 124.68 2vhh h ALA 367 Ca 0.01 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2vhh h ALA 367 Cb 0.99 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2vhh h ALA 367 CO 0.08 -0.04 -0.06 1.49 0.00 0.00 0.00 179.25 180.72 2vhh h GLU 368 N 0.56 0.48 -0.66 0.00 4.57 -1.19 -2.29 114.58 116.05 2vhh h GLU 368 Ca 0.24 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 2vhh h GLU 368 Cb 0.14 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.67 2vhh h GLU 368 CO -0.16 0.71 0.42 0.77 -1.18 0.00 0.00 179.01 179.56 2vhh h SER 369 N 0.22 0.78 0.31 1.04 0.02 -1.03 -2.17 113.55 112.71 2vhh h SER 369 Ca 0.06 -0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 60.85 2vhh h SER 369 Cb 0.53 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 2vhh h SER 369 CO 0.03 0.59 -0.49 -0.26 -1.14 0.00 0.00 176.83 175.55 2vhh h PHE 370 N 0.90 0.26 0.16 3.45 0.05 -0.94 -2.15 116.94 118.66 2vhh h PHE 370 Ca 0.24 -0.08 -0.01 0.00 3.82 0.00 0.00 57.97 61.94 2vhh h PHE 370 Cb -0.06 -0.05 0.00 0.00 2.00 0.00 0.00 35.95 37.83 2vhh h PHE 370 CO -0.02 0.66 -0.08 -0.22 -0.18 0.00 0.00 178.31 178.47 2vhh h LYS 371 N 0.17 -0.21 -0.94 1.51 3.64 -1.07 -2.75 116.57 116.92 2vhh h LYS 371 Ca 0.01 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.46 2vhh h LYS 371 Cb 0.93 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.73 2vhh h LYS 371 CO 0.07 0.00 0.61 0.87 -2.27 0.00 0.00 179.45 178.74 2vhh h LYS 372 N -0.40 1.07 0.00 1.90 1.79 -1.34 -2.47 116.57 117.12 2vhh h LYS 372 Ca -0.02 -0.06 -0.06 0.00 -2.18 0.00 0.00 60.65 58.32 2vhh h LYS 372 Cb 0.31 -0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 30.71 2vhh h LYS 372 CO 0.04 0.71 -0.28 0.00 -1.08 0.00 0.00 179.45 178.83 2vhh h ALA 373 N 1.48 1.49 -0.01 3.86 0.00 -1.23 -2.98 119.26 121.88 2vhh h ALA 373 Ca 0.40 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2vhh h ALA 373 Cb 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2vhh h ALA 373 CO -0.15 0.35 -0.59 -1.13 0.00 0.00 0.00 179.25 177.73 2vhh n SER 374 N -4.14 1.11 -4.81 0.00 3.41 -0.94 -4.89 113.62 103.35 2vhh n SER 374 Ca -0.02 -0.90 -0.34 0.00 -0.26 0.00 0.00 58.87 57.35 2vhh n SER 374 Cb 0.33 0.49 -0.06 0.00 -0.26 0.00 0.00 64.21 64.72 2vhh n SER 374 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2vhh s GLU 375 N -2.77 4.17 0.13 4.33 2.02 -1.13 -4.99 118.70 120.47 2vhh s GLU 375 Ca 0.15 1.22 -0.19 0.00 0.02 0.00 0.00 54.97 56.17 2vhh s GLU 375 Cb 0.18 -2.25 -0.04 0.00 0.10 0.00 0.00 34.13 32.11 2vhh s GLU 375 CO 0.68 -0.09 1.78 0.45 0.02 0.00 0.00 175.26 178.11 2vhh h HIS 376 N 2.02 0.30 -0.33 1.61 3.86 -1.91 -2.73 115.15 117.98 2vhh h HIS 376 Ca -0.49 0.01 -0.21 0.00 -1.16 0.00 0.00 60.37 58.53 2vhh h HIS 376 Cb 1.19 -0.10 -0.10 0.00 1.06 0.00 0.00 27.41 29.46 2vhh h HIS 376 CO 0.61 0.19 0.26 0.41 0.86 0.00 0.00 177.93 180.26 2vhh n GLY 377 N -1.17 3.34 3.70 2.45 0.00 -1.26 -4.93 105.19 107.33 2vhh n GLY 377 Ca -0.02 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.96 2vhh n GLY 377 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2vhh s PHE 378 N -1.20 3.05 -0.27 1.61 5.36 -1.03 -5.02 117.98 120.49 2vhh s PHE 378 Ca 0.20 0.90 -0.01 0.00 -0.96 0.00 0.00 56.93 57.07 2vhh s PHE 378 Cb 0.16 -3.66 0.04 0.00 -0.34 0.00 0.00 43.02 39.22 2vhh s PHE 378 CO 0.01 -2.36 -0.05 0.15 -1.46 0.00 0.00 175.22 171.51 2vhh s LYS 379 N 1.74 2.61 0.44 10.12 1.02 -1.26 -5.11 119.74 129.30 2vhh s LYS 379 Ca 0.64 -1.13 -0.22 0.00 0.02 0.00 0.00 55.97 55.28 2vhh s LYS 379 Cb -0.34 -3.02 -0.12 0.00 -0.52 0.00 0.00 37.83 33.83 2vhh s LYS 379 CO 0.29 -0.50 0.57 -2.30 -0.92 0.00 0.00 175.35 172.48 2vhh n PRO 380 N 4.61 0.61 -2.35 -1.68 -0.02 -1.26 -4.84 135.00 130.07 2vhh n PRO 380 Ca -0.15 0.22 -0.36 0.00 -2.02 0.00 0.00 63.50 61.19 2vhh n PRO 380 Cb 0.45 -1.57 -0.03 0.00 -0.02 0.00 0.00 33.50 32.34 2vhh n PRO 380 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 2vhh s GLN 381 N -1.68 3.31 -0.12 -0.52 0.74 -1.26 -4.94 119.66 115.20 2vhh s GLN 381 Ca 0.64 -1.55 -0.01 0.00 0.05 0.00 0.00 55.36 54.48 2vhh s GLN 381 Cb -0.57 -5.39 -0.03 0.00 1.10 0.00 0.00 33.01 28.12 2vhh s GLN 381 CO 0.58 -3.00 -0.07 0.42 -0.55 0.00 0.00 175.29 172.67 2vhh s ILE 382 N 7.24 3.65 -0.33 -2.34 1.01 -1.26 -5.09 121.20 124.08 2vhh s ILE 382 Ca 0.60 -0.47 -0.10 0.00 0.00 0.00 0.00 60.65 60.69 2vhh s ILE 382 Cb 0.01 -2.54 0.00 0.00 0.01 0.00 0.00 42.46 39.94 2vhh s ILE 382 CO 0.09 0.54 0.16 -0.63 0.00 0.00 0.00 174.94 175.10 2vhh s ILE 383 N -0.08 4.55 0.45 2.92 1.01 -1.26 -5.10 121.20 123.69 2vhh s ILE 383 Ca 0.01 -0.56 0.05 0.00 0.00 0.00 0.00 60.65 60.15 2vhh s ILE 383 Cb -0.13 -3.38 0.01 0.00 0.01 0.00 0.00 42.46 38.97 2vhh s ILE 383 CO 0.03 -0.02 0.63 -0.54 0.00 0.00 0.00 174.94 175.04 2vhh s LYS 384 N 1.59 2.78 -0.10 2.79 1.02 -1.26 -5.08 119.74 121.48 2vhh s LYS 384 Ca 0.04 -1.03 -0.27 0.00 0.02 0.00 0.00 55.97 54.73 2vhh s LYS 384 Cb -0.18 -2.67 -0.02 0.00 -0.52 0.00 0.00 37.83 34.45 2vhh s LYS 384 CO 0.06 -0.38 0.89 -2.00 -0.92 0.00 0.00 175.35 173.01 2vhh s GLU 385 N -4.48 4.41 0.00 1.68 2.12 -1.26 -5.35 118.70 115.82 2vhh s GLU 385 Ca 0.54 1.19 0.00 0.00 0.36 0.00 0.00 54.97 57.06 2vhh s GLU 385 Cb -0.10 -3.52 0.00 0.00 0.26 0.00 0.00 34.13 30.77 2vhh s GLU 385 CO 0.35 -0.21 0.44 2.41 -0.54 0.00 0.00 175.26 177.70