#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1smh h ASN 2 N 0.00 0.00 -0.21 1.61 4.21 -2.05 -2.21 115.58 116.92 1smh h ASN 2 Ca 0.00 0.00 -0.14 0.00 1.21 0.00 0.00 56.30 57.37 1smh h ASN 2 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1smh h ASN 2 CO 0.00 0.26 -0.41 0.00 -1.29 0.00 0.00 177.43 175.99 1smh h ALA 3 N 1.74 0.33 -0.54 -0.83 0.00 -2.05 -2.57 119.26 115.34 1smh h ALA 3 Ca -0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1smh h ALA 3 Cb 0.54 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1smh h ALA 3 CO 0.03 0.44 0.27 0.00 0.00 0.00 0.00 179.25 179.99 1smh h ALA 4 N 0.61 1.45 -0.18 0.00 0.00 -1.92 0.31 119.26 119.53 1smh h ALA 4 Ca 0.01 -0.11 -0.19 0.00 0.00 0.00 0.00 54.91 54.62 1smh h ALA 4 Cb 1.01 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1smh h ALA 4 CO 0.09 0.44 -0.67 0.00 0.00 0.00 0.00 179.25 179.11 1smh h ALA 5 N 1.53 0.48 -0.42 0.00 0.00 -1.37 -0.92 119.26 118.56 1smh h ALA 5 Ca 0.19 -0.56 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 1smh h ALA 5 Cb 0.07 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1smh h ALA 5 CO -0.03 0.70 0.11 0.00 0.00 0.00 0.00 179.25 180.04 1smh h ALA 6 N 0.75 0.55 -0.27 0.00 0.00 -1.17 0.15 119.26 119.28 1smh h ALA 6 Ca -0.02 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.71 1smh h ALA 6 Cb 1.27 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1smh h ALA 6 CO 0.13 0.23 0.17 -0.22 0.00 0.00 0.00 179.25 179.56 1smh h LYS 7 N 0.54 0.33 -0.36 0.00 3.64 -0.85 -1.61 116.57 118.26 1smh h LYS 7 Ca 0.13 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1smh h LYS 7 Cb 0.30 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1smh h LYS 7 CO -0.00 0.22 0.08 0.87 -2.27 0.00 0.00 179.45 178.35 1smh h LYS 8 N 0.34 0.58 -0.35 1.90 1.57 -1.11 -2.05 116.57 117.45 1smh h LYS 8 Ca 0.10 -0.14 0.08 0.00 -1.87 0.00 0.00 60.65 58.82 1smh h LYS 8 Cb -0.03 -0.07 -0.08 0.00 0.08 0.00 0.00 32.23 32.13 1smh h LYS 8 CO -0.03 0.62 -0.24 0.78 -0.57 0.00 0.00 179.45 180.01 1smh h GLY 9 N 0.43 -0.06 2.00 3.86 0.00 -0.67 -2.15 103.07 106.48 1smh h GLY 9 Ca 0.11 0.30 -0.13 0.00 0.00 0.00 0.00 47.33 47.61 1smh h GLY 9 CO 0.00 -0.20 -0.64 1.48 0.00 0.00 0.00 176.54 177.18 1smh h SER 10 N -0.20 0.00 0.13 0.19 4.64 -1.20 -3.00 113.55 114.12 1smh h SER 10 Ca 0.17 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.35 1smh h SER 10 Cb 0.46 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.55 1smh h SER 10 CO -0.46 0.64 -0.52 -0.33 -0.87 0.00 0.00 176.83 175.28 1smh h GLU 11 N 0.00 0.43 -0.16 4.77 5.08 -1.19 -2.06 114.58 121.45 1smh h GLU 11 Ca -0.01 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.04 1smh h GLU 11 Cb 1.35 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.62 1smh h GLU 11 CO 0.08 0.85 -0.10 1.96 -1.00 0.00 0.00 179.01 180.80 1smh h GLN 12 N 0.34 0.36 -0.86 2.33 4.20 -1.38 -0.32 115.11 119.78 1smh h GLN 12 Ca 0.01 -0.17 0.12 0.00 0.06 0.00 0.00 58.65 58.67 1smh h GLN 12 Cb 1.03 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.74 1smh h GLN 12 CO 0.09 0.69 0.56 0.93 -0.67 0.00 0.00 178.83 180.43 1smh h GLU 13 N 0.02 0.71 -0.00 1.46 4.39 -1.52 -1.02 114.58 118.62 1smh h GLU 13 Ca 0.03 -0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.53 1smh h GLU 13 Cb 0.59 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.06 1smh h GLU 13 CO 0.03 0.47 -0.76 1.03 -1.16 0.00 0.00 179.01 178.62 1smh h SER 14 N 0.74 0.04 -0.08 1.42 0.87 -1.08 -2.71 113.55 112.75 1smh h SER 14 Ca 0.41 -0.03 -0.23 0.00 -1.23 0.00 0.00 61.79 60.72 1smh h SER 14 Cb 0.58 -0.01 0.01 0.00 -0.44 0.00 0.00 62.40 62.53 1smh h SER 14 CO -0.18 0.78 -0.81 0.58 -0.53 0.00 0.00 176.83 176.67 1smh h VAL 15 N 0.02 1.29 -0.95 2.23 2.07 -0.39 -2.05 116.25 118.47 1smh h VAL 15 Ca -0.01 -2.03 0.00 0.00 0.82 0.00 0.00 66.70 65.48 1smh h VAL 15 Cb 1.34 2.05 -0.05 0.00 -1.52 0.00 0.00 31.29 33.11 1smh h VAL 15 CO 0.10 0.64 0.61 0.11 0.02 0.00 0.00 177.57 179.05 1smh h LYS 16 N 0.49 1.26 -0.08 1.57 6.56 -1.13 0.95 116.57 126.20 1smh h LYS 16 Ca -0.06 -0.09 -0.10 0.00 -1.06 0.00 0.00 60.65 59.34 1smh h LYS 16 Cb 1.44 -0.28 0.00 0.00 -0.57 0.00 0.00 32.23 32.83 1smh h LYS 16 CO 0.16 0.85 -0.33 1.49 -2.06 0.00 0.00 179.45 179.57 1smh h GLU 17 N 1.29 0.36 -0.70 3.15 4.81 -1.53 -1.63 114.58 120.34 1smh h GLU 17 Ca 0.34 -0.29 0.12 0.00 -0.13 0.00 0.00 59.36 59.41 1smh h GLU 17 Cb -0.12 0.06 -0.09 0.00 0.63 0.00 0.00 28.75 29.23 1smh h GLU 17 CO -0.07 0.92 0.27 0.35 -0.73 0.00 0.00 179.01 179.75 1smh h PHE 18 N -0.11 0.46 -0.40 0.92 3.57 -1.17 -2.09 116.94 118.12 1smh h PHE 18 Ca -0.02 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.36 1smh h PHE 18 Cb 0.98 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 1smh h PHE 18 CO 0.13 0.08 -0.36 -0.07 -2.23 0.00 0.00 178.31 175.86 1smh h LEU 19 N 0.43 1.01 -0.80 0.59 3.38 -0.65 -0.56 115.31 118.71 1smh h LEU 19 Ca 0.37 -0.45 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 1smh h LEU 19 Cb 0.52 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1smh h LEU 19 CO -0.37 1.25 -0.26 0.00 0.09 0.00 0.00 178.44 179.15 1smh h ALA 20 N 0.80 0.97 -0.63 1.53 0.00 -1.11 0.69 119.26 121.50 1smh h ALA 20 Ca 0.07 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 1smh h ALA 20 Cb 0.95 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1smh h ALA 20 CO 0.09 0.60 0.06 -0.22 0.00 0.00 0.00 179.25 179.78 1smh h LYS 21 N 0.53 1.07 -0.05 0.00 3.11 -1.28 -2.42 116.57 117.53 1smh h LYS 21 Ca 0.07 -0.31 -0.15 0.00 -2.81 0.00 0.00 60.65 57.45 1smh h LYS 21 Cb 0.73 -0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.83 1smh h LYS 21 CO 0.06 1.01 -0.64 0.00 -2.81 0.00 0.00 179.45 177.07 1smh h ALA 22 N 1.02 0.82 -0.34 5.00 0.00 -0.45 -1.97 119.26 123.34 1smh h ALA 22 Ca 0.19 -0.57 -0.10 0.00 0.00 0.00 0.00 54.91 54.42 1smh h ALA 22 Cb 0.49 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1smh h ALA 22 CO 0.02 0.76 -0.19 -0.22 0.00 0.00 0.00 179.25 179.62 1smh h LYS 23 N 0.15 0.72 -0.74 0.00 3.64 -0.79 -1.83 116.57 117.72 1smh h LYS 23 Ca -0.01 -0.33 0.03 0.00 -1.27 0.00 0.00 60.65 59.06 1smh h LYS 23 Cb 1.16 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.92 1smh h LYS 23 CO 0.10 0.94 0.47 0.93 -2.27 0.00 0.00 179.45 179.62 1smh h GLU 24 N 0.50 0.90 -0.19 1.90 5.08 -1.28 -0.13 114.58 121.37 1smh h GLU 24 Ca 0.07 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1smh h GLU 24 Cb 0.74 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1smh h GLU 24 CO 0.06 0.60 0.08 -0.44 -1.00 0.00 0.00 179.01 178.30 1smh h ASP 25 N 0.93 0.26 -0.12 1.42 5.19 -1.30 -2.72 116.42 120.08 1smh h ASP 25 Ca 0.29 -0.16 -0.01 0.00 -0.62 0.00 0.00 57.03 56.54 1smh h ASP 25 Cb -0.01 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.43 1smh h ASP 25 CO -0.10 0.34 0.05 0.15 -3.12 0.00 0.00 179.24 176.57 1smh h PHE 26 N 0.15 0.18 -0.49 4.55 3.57 -1.14 -2.96 116.94 120.80 1smh h PHE 26 Ca 0.06 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1smh h PHE 26 Cb 0.17 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.83 1smh h PHE 26 CO -0.01 0.26 0.28 -0.07 -2.23 0.00 0.00 178.31 176.53 1smh h LEU 27 N 0.05 0.58 -0.12 0.59 3.38 -0.98 0.32 115.31 119.13 1smh h LEU 27 Ca 0.04 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1smh h LEU 27 Cb 0.15 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1smh h LEU 27 CO -0.00 0.46 0.08 0.11 0.09 0.00 0.00 178.44 179.18 1smh h LYS 28 N 0.67 0.17 -0.01 1.13 1.57 -1.33 -0.82 116.57 117.96 1smh h LYS 28 Ca 0.18 -0.01 -0.20 0.00 -1.87 0.00 0.00 60.65 58.74 1smh h LYS 28 Cb -0.00 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1smh h LYS 28 CO -0.03 0.13 -0.88 0.87 -0.57 0.00 0.00 179.45 178.98 1smh h LYS 29 N 0.15 0.28 -0.76 3.15 1.57 -1.22 -2.67 116.57 117.06 1smh h LYS 29 Ca 0.04 -0.29 -0.05 0.00 -1.87 0.00 0.00 60.65 58.48 1smh h LYS 29 Cb 0.01 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 1smh h LYS 29 CO -0.01 0.99 0.26 2.35 -0.57 0.00 0.00 179.45 182.48 1smh h TRP 30 N 0.16 1.20 0.00 -1.35 2.91 -0.20 -2.47 115.95 116.20 1smh h TRP 30 Ca -0.05 -0.11 -0.11 0.00 1.13 0.00 0.00 58.89 59.75 1smh h TRP 30 Cb 1.50 -0.35 -0.02 0.00 -0.51 0.00 0.00 29.16 29.78 1smh h TRP 30 CO 0.04 0.93 -0.74 0.93 -1.03 0.00 0.00 178.44 178.57 1smh h GLU 31 N 1.12 0.00 -2.37 2.65 5.08 -1.17 -3.37 114.58 116.52 1smh h GLU 31 Ca 0.25 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 58.02 1smh h GLU 31 Cb 0.28 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.12 1smh h GLU 31 CO -0.01 0.37 -0.83 -1.71 -1.00 0.00 0.00 179.01 175.83 1smh n ASN 32 N -3.09 1.51 -4.77 1.42 5.15 -1.01 -5.10 115.26 109.37 1smh n ASN 32 Ca -0.01 -2.91 -0.40 0.00 -0.60 0.00 0.00 54.58 50.66 1smh n ASN 32 Cb 0.73 -0.65 0.02 0.00 -0.53 0.00 0.00 39.78 39.35 1smh n ASN 32 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1smh n PRO 33 N 1.75 2.32 -2.10 1.20 -0.02 -0.94 -4.70 135.00 132.50 1smh n PRO 33 Ca 0.25 0.83 -0.41 0.00 -2.02 0.00 0.00 63.50 62.15 1smh n PRO 33 Cb 0.45 -2.64 -0.02 0.00 -0.02 0.00 0.00 33.50 31.26 1smh n PRO 33 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1smh s ALA 34 N -1.18 3.56 0.09 3.55 0.00 -1.26 -5.06 121.76 121.44 1smh s ALA 34 Ca 0.60 1.24 0.04 0.00 0.00 0.00 0.00 51.96 53.84 1smh s ALA 34 Cb -0.45 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.13 1smh s ALA 34 CO 0.58 -0.65 -0.11 -0.65 0.00 0.00 0.00 175.76 174.93 1smh s GLN 35 N -0.79 0.82 -1.31 0.00 -0.21 -1.26 -4.98 119.66 111.93 1smh s GLN 35 Ca 0.55 -1.07 -0.01 0.00 0.02 0.00 0.00 55.36 54.86 1smh s GLN 35 Cb -0.40 -0.61 0.00 0.00 1.00 0.00 0.00 33.01 33.01 1smh s GLN 35 CO 0.45 0.11 0.76 -1.71 -2.12 0.00 0.00 175.29 172.78 1smh n ASN 36 N 0.84 -1.52 -1.10 5.90 5.15 -1.15 -4.92 115.26 118.46 1smh n ASN 36 Ca -0.18 -0.79 0.09 0.00 -0.60 0.00 0.00 54.58 53.10 1smh n ASN 36 Cb 0.56 -4.20 0.26 0.00 -0.53 0.00 0.00 39.78 35.88 1smh n ASN 36 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1smh n THR 37 N -4.29 0.83 -3.35 -0.44 -2.24 -0.78 -4.96 114.28 99.06 1smh n THR 37 Ca -0.28 -0.80 -0.02 0.00 -2.27 0.00 0.00 64.05 60.68 1smh n THR 37 Cb 0.67 0.37 0.01 0.00 -2.10 0.00 0.00 70.33 69.28 1smh n THR 37 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1smh n ALA 38 N 1.21 -0.67 -3.19 6.98 0.00 -1.25 -4.81 120.51 118.77 1smh n ALA 38 Ca 0.20 -0.39 -0.13 0.00 0.00 0.00 0.00 53.44 53.12 1smh n ALA 38 Cb 0.51 0.29 -0.09 0.00 0.00 0.00 0.00 19.45 20.16 1smh n ALA 38 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 1smh s HIS 39 N -6.19 -0.10 0.27 0.00 2.46 -1.26 -4.74 115.29 105.73 1smh s HIS 39 Ca 0.06 0.13 -0.04 0.00 0.47 0.00 0.00 55.06 55.67 1smh s HIS 39 Cb -0.01 0.05 0.35 0.00 -0.13 0.00 0.00 32.58 32.83 1smh s HIS 39 CO 0.03 -0.35 1.95 1.25 -2.47 0.00 0.00 174.74 175.14 1smh h LEU 40 N 4.00 1.06 0.00 8.88 7.12 -1.96 -2.66 115.31 131.75 1smh h LEU 40 Ca -0.30 -0.03 0.00 0.00 0.13 0.00 0.00 57.88 57.68 1smh h LEU 40 Cb 1.18 -0.26 0.00 0.00 -0.53 0.00 0.00 40.66 41.05 1smh h LEU 40 CO 0.40 0.77 0.00 -0.90 -0.13 0.00 0.00 178.44 178.58 1smh n ASP 41 N -4.40 0.00 -0.36 1.25 5.68 -1.26 -2.56 116.55 114.91 1smh n ASP 41 Ca 0.11 -0.13 0.10 0.00 -0.50 0.00 0.00 54.79 54.37 1smh n ASP 41 Cb 0.02 -0.22 0.45 0.00 -1.14 0.00 0.00 41.12 40.23 1smh n ASP 41 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1smh n GLN 42 N -1.22 1.47 -4.27 0.11 6.02 -1.00 -4.87 117.38 113.61 1smh n GLN 42 Ca 0.10 -0.70 -0.20 0.00 -0.01 0.00 0.00 57.00 56.19 1smh n GLN 42 Cb 0.13 -1.36 -0.16 0.00 1.02 0.00 0.00 30.24 29.87 1smh n GLN 42 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 1smh s PHE 43 N -1.87 0.84 -0.16 1.08 0.40 -1.06 -1.37 117.98 115.83 1smh s PHE 43 Ca 0.31 -0.23 -0.26 0.00 -0.60 0.00 0.00 56.93 56.16 1smh s PHE 43 Cb 0.16 -0.66 -0.02 0.00 0.51 0.00 0.00 43.02 43.01 1smh s PHE 43 CO 0.25 -0.15 0.85 -2.00 0.70 0.00 0.00 175.22 174.87 1smh s GLU 44 N 0.57 4.32 -0.28 0.44 2.12 0.32 -4.88 118.70 121.30 1smh s GLU 44 Ca -0.08 1.05 -0.24 0.00 0.36 0.00 0.00 54.97 56.06 1smh s GLU 44 Cb -0.12 -3.56 -0.00 0.00 0.26 0.00 0.00 34.13 30.71 1smh s GLU 44 CO 0.01 -0.31 0.80 1.03 -0.54 0.00 0.00 175.26 176.25 1smh s ARG 45 N 2.07 4.05 -0.25 4.30 0.52 -1.26 -0.77 118.95 127.62 1smh s ARG 45 Ca 0.39 0.72 -0.17 0.00 -0.52 0.00 0.00 55.73 56.16 1smh s ARG 45 Cb -0.17 -3.69 -0.15 0.00 0.52 0.00 0.00 34.95 31.46 1smh s ARG 45 CO 0.13 -0.62 -0.11 -0.89 0.02 0.00 0.00 175.30 173.84 1smh n ILE 46 N 5.43 1.53 -3.65 1.52 5.41 -0.30 -5.00 119.36 124.29 1smh n ILE 46 Ca 0.04 -0.22 -0.12 0.00 1.00 0.00 0.00 62.75 63.45 1smh n ILE 46 Cb 0.48 -1.96 -0.08 0.00 -0.71 0.00 0.00 39.64 37.37 1smh n ILE 46 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1smh s LYS 47 N -2.45 0.74 -0.07 0.38 2.20 -1.17 -5.00 119.74 114.38 1smh s LYS 47 Ca -0.34 0.97 -0.30 0.00 -0.36 0.00 0.00 55.97 55.94 1smh s LYS 47 Cb 0.11 0.31 -0.03 0.00 -1.51 0.00 0.00 37.83 36.71 1smh s LYS 47 CO 0.53 -0.11 1.14 0.99 -0.36 0.00 0.00 175.35 177.54 1smh s THR 48 N 0.65 4.41 -1.57 3.43 2.01 -1.26 -0.74 115.64 122.58 1smh s THR 48 Ca -0.02 1.72 0.17 0.00 0.31 0.00 0.00 61.69 63.86 1smh s THR 48 Cb -0.05 -4.11 0.01 0.00 0.01 0.00 0.00 72.50 68.36 1smh s THR 48 CO -0.04 0.00 0.88 0.18 -0.69 0.00 0.00 174.62 174.96 1smh n LEU 49 N 5.10 1.72 0.00 4.42 4.77 0.12 -4.31 117.00 128.83 1smh n LEU 49 Ca 0.10 -0.79 0.00 0.00 -0.03 0.00 0.00 56.01 55.29 1smh n LEU 49 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1smh n LEU 49 CO 0.54 0.33 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 1smh n GLY 50 N 1.14 1.48 3.34 -0.72 0.00 -1.11 -4.83 105.19 104.50 1smh n GLY 50 Ca 0.07 -0.56 -0.18 0.00 0.00 0.00 0.00 46.02 45.36 1smh n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1smh s THR 51 N -2.00 1.05 0.14 2.61 -4.23 -1.26 -0.59 115.64 111.36 1smh s THR 51 Ca 0.00 -2.03 -0.03 0.00 -1.18 0.00 0.00 61.69 58.44 1smh s THR 51 Cb 0.00 -2.40 0.01 0.00 1.34 0.00 0.00 72.50 71.46 1smh s THR 51 CO 0.00 -0.28 0.25 0.61 -0.54 0.00 0.00 174.62 174.66 1smh n GLY 52 N -0.45 2.10 0.29 3.99 0.00 -0.33 -4.94 105.19 105.85 1smh n GLY 52 Ca -0.05 -1.26 0.02 0.00 0.00 0.00 0.00 46.02 44.73 1smh n GLY 52 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1smh h SER 53 N 0.76 0.48 -0.06 1.61 0.02 -2.02 -3.01 113.55 111.33 1smh h SER 53 Ca -0.12 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.78 1smh h SER 53 Cb 0.47 -0.12 0.00 0.00 0.14 0.00 0.00 62.40 62.88 1smh h SER 53 CO 0.15 0.46 0.00 0.49 -1.14 0.00 0.00 176.83 176.79 1smh n PHE 54 N -4.37 0.10 0.00 3.45 3.72 -1.26 -5.03 117.46 114.06 1smh n PHE 54 Ca 0.02 -0.58 0.00 0.00 -0.05 0.00 0.00 57.45 56.84 1smh n PHE 54 Cb 0.16 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 1smh n PHE 54 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1smh n GLY 55 N -0.47 -0.60 3.53 1.37 0.00 -1.14 -0.86 105.19 107.03 1smh n GLY 55 Ca 0.05 -0.58 -0.10 0.00 0.00 0.00 0.00 46.02 45.39 1smh n GLY 55 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1smh s ARG 56 N -1.40 1.23 -0.15 1.61 1.70 -0.75 -1.19 118.95 120.00 1smh s ARG 56 Ca 0.00 -0.52 -0.02 0.00 -0.47 0.00 0.00 55.73 54.72 1smh s ARG 56 Cb 0.00 0.53 -0.02 0.00 -0.57 0.00 0.00 34.95 34.89 1smh s ARG 56 CO 0.00 -0.55 -0.08 0.08 -1.08 0.00 0.00 175.30 173.67 1smh s VAL 57 N -3.58 3.42 0.02 4.99 1.01 0.24 -0.18 120.40 126.31 1smh s VAL 57 Ca 0.04 -0.52 0.08 0.00 0.00 0.00 0.00 61.98 61.58 1smh s VAL 57 Cb -0.02 -2.48 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 1smh s VAL 57 CO -0.08 0.50 -0.25 -0.04 0.00 0.00 0.00 175.10 175.23 1smh s MET 58 N 0.49 1.95 0.15 2.72 -1.94 -0.04 0.14 119.30 122.78 1smh s MET 58 Ca -0.06 -1.02 -0.31 0.00 -1.71 0.00 0.00 55.69 52.58 1smh s MET 58 Cb -0.15 -2.03 -0.09 0.00 2.01 0.00 0.00 34.83 34.57 1smh s MET 58 CO 0.04 0.54 1.40 -1.17 -0.01 0.00 0.00 175.02 175.81 1smh s LEU 59 N -1.02 4.38 0.15 -0.03 0.20 0.08 -0.32 118.68 122.12 1smh s LEU 59 Ca 0.11 2.41 0.03 0.00 0.69 0.00 0.00 54.13 57.37 1smh s LEU 59 Cb -0.10 -3.60 -0.04 0.00 -0.43 0.00 0.00 46.19 42.02 1smh s LEU 59 CO 0.01 -0.65 -0.05 0.68 -0.29 0.00 0.00 176.35 176.05 1smh s VAL 60 N 0.79 0.86 -0.14 1.68 -7.23 0.44 -1.15 120.40 115.65 1smh s VAL 60 Ca 0.63 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.83 1smh s VAL 60 Cb -0.38 -1.93 0.01 0.00 0.56 0.00 0.00 36.38 34.64 1smh s VAL 60 CO 0.33 -0.66 -0.22 -0.75 -0.31 0.00 0.00 175.10 173.50 1smh s LYS 61 N -3.84 3.02 -0.49 4.82 2.20 0.05 -1.41 119.74 124.10 1smh s LYS 61 Ca 0.19 -0.85 -0.28 0.00 -0.36 0.00 0.00 55.97 54.66 1smh s LYS 61 Cb 0.05 -2.44 0.00 0.00 -1.51 0.00 0.00 37.83 33.93 1smh s LYS 61 CO 0.01 -0.02 1.57 -1.58 -0.36 0.00 0.00 175.35 174.96 1smh s HIS 62 N 0.83 2.11 0.47 4.03 5.65 -0.30 -0.52 115.29 127.56 1smh s HIS 62 Ca -0.07 0.60 0.15 0.00 0.25 0.00 0.00 55.06 55.99 1smh s HIS 62 Cb -0.15 -4.27 1.12 0.00 -1.18 0.00 0.00 32.58 28.10 1smh s HIS 62 CO -0.02 -2.23 2.06 0.52 -0.65 0.00 0.00 174.74 174.42 1smh h MET 63 N 12.02 0.24 -0.07 2.88 0.00 -1.55 0.67 114.93 129.12 1smh h MET 63 Ca -0.28 -0.01 -0.20 0.00 0.00 0.00 0.00 59.70 59.21 1smh h MET 63 Cb 1.12 -0.05 -0.00 0.00 0.00 0.00 0.00 31.60 32.67 1smh h MET 63 CO 1.14 0.16 -0.78 1.49 0.00 0.00 0.00 176.91 178.91 1smh h GLU 64 N 0.25 0.45 0.00 1.72 4.81 -1.91 -3.32 114.58 116.58 1smh h GLU 64 Ca 0.15 -0.39 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1smh h GLU 64 Cb 0.28 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1smh h GLU 64 CO -0.03 1.03 -1.60 0.25 -0.73 0.00 0.00 179.01 177.93 1smh n THR 65 N -3.83 0.00 -0.96 0.32 -2.24 -1.11 -4.99 114.28 101.47 1smh n THR 65 Ca -0.05 -0.34 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 1smh n THR 65 Cb 0.74 0.31 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 1smh n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1smh n GLY 66 N 1.43 0.37 3.78 3.38 0.00 0.21 -5.03 105.19 109.32 1smh n GLY 66 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1smh n GLY 66 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1smh s ASN 67 N -2.13 6.44 -0.00 1.61 0.01 -1.24 -4.76 114.94 114.87 1smh s ASN 67 Ca 0.00 2.12 -0.14 0.00 -0.71 0.00 0.00 52.86 54.13 1smh s ASN 67 Cb 0.00 -2.59 -0.06 0.00 0.41 0.00 0.00 41.25 39.02 1smh s ASN 67 CO 0.00 -0.72 0.39 -1.00 -1.51 0.00 0.00 177.10 174.26 1smh s HIS 68 N -1.68 3.71 0.14 2.20 3.76 -1.26 -1.15 115.29 121.01 1smh s HIS 68 Ca 0.62 0.95 -0.00 0.00 -0.15 0.00 0.00 55.06 56.48 1smh s HIS 68 Cb -0.23 -2.25 -0.04 0.00 1.11 0.00 0.00 32.58 31.16 1smh s HIS 68 CO 0.29 0.64 0.03 0.71 -0.85 0.00 0.00 174.74 175.56 1smh s TYR 69 N -1.11 0.97 -0.24 1.40 2.02 -0.50 -4.28 117.35 115.61 1smh s TYR 69 Ca 0.24 -1.15 -0.09 0.00 -0.37 0.00 0.00 57.07 55.70 1smh s TYR 69 Cb -0.16 -0.55 -0.04 0.00 -0.40 0.00 0.00 41.96 40.81 1smh s TYR 69 CO 0.13 -0.40 0.11 0.00 -1.57 0.00 0.00 175.55 173.82 1smh s ALA 70 N -3.90 3.35 -0.23 3.71 0.00 -0.07 -0.42 121.76 124.19 1smh s ALA 70 Ca 0.23 -1.02 -0.04 0.00 0.00 0.00 0.00 51.96 51.13 1smh s ALA 70 Cb 0.07 -2.17 -0.01 0.00 0.00 0.00 0.00 23.12 21.01 1smh s ALA 70 CO 0.02 -0.35 -0.03 1.41 0.00 0.00 0.00 175.76 176.82 1smh s MET 71 N 1.36 3.36 -0.07 0.00 1.75 0.56 0.02 119.30 126.28 1smh s MET 71 Ca 0.06 -0.64 -0.23 0.00 -1.25 0.00 0.00 55.69 53.63 1smh s MET 71 Cb -0.15 -3.06 -0.04 0.00 2.84 0.00 0.00 34.83 34.43 1smh s MET 71 CO 0.05 -0.22 0.69 0.21 -0.65 0.00 0.00 175.02 175.10 1smh s LYS 72 N 1.49 4.43 -0.17 4.11 2.20 0.44 -0.86 119.74 131.37 1smh s LYS 72 Ca 0.05 0.85 0.01 0.00 -0.36 0.00 0.00 55.97 56.53 1smh s LYS 72 Cb -0.15 -3.45 0.02 0.00 -1.51 0.00 0.00 37.83 32.74 1smh s LYS 72 CO -0.02 0.06 -0.20 0.42 -0.36 0.00 0.00 175.35 175.24 1smh s ILE 73 N 0.83 2.06 -0.04 5.43 1.01 0.74 -1.89 121.20 129.34 1smh s ILE 73 Ca 0.37 -0.95 0.05 0.00 0.00 0.00 0.00 60.65 60.12 1smh s ILE 73 Cb -0.17 -1.85 -0.02 0.00 0.01 0.00 0.00 42.46 40.42 1smh s ILE 73 CO 0.17 0.54 -0.18 -0.76 0.00 0.00 0.00 174.94 174.71 1smh s LEU 74 N 1.20 2.50 -0.51 2.97 1.43 -0.33 -1.81 118.68 124.13 1smh s LEU 74 Ca 0.03 -0.29 -0.21 0.00 -1.03 0.00 0.00 54.13 52.62 1smh s LEU 74 Cb -0.13 -1.48 0.05 0.00 0.03 0.00 0.00 46.19 44.65 1smh s LEU 74 CO -0.11 0.33 0.73 -0.62 0.23 0.00 0.00 176.35 176.92 1smh s ASP 75 N -0.67 6.28 0.30 2.29 -1.08 -0.04 -0.96 116.67 122.81 1smh s ASP 75 Ca 0.10 -0.62 0.06 0.00 -0.52 0.00 0.00 52.55 51.58 1smh s ASP 75 Cb -0.11 -2.34 0.82 0.00 -1.46 0.00 0.00 42.92 39.83 1smh s ASP 75 CO 0.00 -0.98 1.68 0.11 0.52 0.00 0.00 175.17 176.50 1smh h LYS 76 N 9.08 0.35 -0.64 4.34 1.57 -1.67 -0.91 116.57 128.68 1smh h LYS 76 Ca -0.27 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.41 1smh h LYS 76 Cb 1.09 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.29 1smh h LYS 76 CO 0.99 0.23 0.09 1.96 -0.57 0.00 0.00 179.45 182.15 1smh h GLN 77 N 0.36 1.06 -0.84 3.15 4.20 -1.92 -2.25 115.11 118.85 1smh h GLN 77 Ca 0.61 -0.28 -0.03 0.00 0.06 0.00 0.00 58.65 59.00 1smh h GLN 77 Cb 1.22 -0.12 -0.04 0.00 0.30 0.00 0.00 27.48 28.84 1smh h GLN 77 CO -0.57 0.98 0.42 0.87 -0.67 0.00 0.00 178.83 179.86 1smh h LYS 78 N 0.99 1.20 0.62 1.46 1.57 -1.56 -2.38 116.57 118.47 1smh h LYS 78 Ca 0.19 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 1smh h LYS 78 Cb 0.44 -0.22 0.01 0.00 0.08 0.00 0.00 32.23 32.54 1smh h LYS 78 CO 0.01 0.91 -0.30 0.28 -0.57 0.00 0.00 179.45 179.79 1smh h VAL 79 N 1.19 0.00 -0.75 0.50 2.07 -0.95 -1.96 116.25 116.35 1smh h VAL 79 Ca 0.29 -0.05 0.15 0.00 0.82 0.00 0.00 66.70 67.91 1smh h VAL 79 Cb 0.10 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.72 1smh h VAL 79 CO -0.04 0.00 -0.18 0.58 0.02 0.00 0.00 177.57 177.95 1smh h VAL 80 N -0.89 0.25 -0.65 2.57 2.07 -1.51 0.16 116.25 118.26 1smh h VAL 80 Ca -0.08 -0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.50 1smh h VAL 80 Cb 0.64 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 1smh h VAL 80 CO 0.14 0.00 0.34 0.50 0.02 0.00 0.00 177.57 178.57 1smh h LYS 81 N 0.00 0.60 -0.43 1.57 3.64 -1.33 0.26 116.57 120.88 1smh h LYS 81 Ca 0.36 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 1smh h LYS 81 Cb 0.56 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.25 1smh h LYS 81 CO -0.77 0.39 0.00 1.28 -2.27 0.00 0.00 179.45 178.08 1smh n LEU 82 N -4.84 2.40 -3.06 5.20 4.77 -0.71 -4.97 117.00 115.79 1smh n LEU 82 Ca 0.08 -1.18 -0.14 0.00 -0.03 0.00 0.00 56.01 54.74 1smh n LEU 82 Cb 0.20 -0.28 0.07 0.00 -2.33 0.00 0.00 43.42 41.08 1smh n LEU 82 CO 0.27 0.59 0.08 0.29 -1.33 0.00 0.00 177.39 177.29 1smh n LYS 83 N 0.81 -5.01 -0.96 3.23 5.02 0.92 -4.95 118.16 117.22 1smh n LYS 83 Ca 0.15 0.73 0.04 0.00 -2.02 0.00 0.00 58.31 57.22 1smh n LYS 83 Cb 0.39 -5.34 0.07 0.00 -0.02 0.00 0.00 35.03 30.13 1smh n LYS 83 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1smh n GLU 84 N -3.55 0.52 0.05 1.97 1.02 -1.01 -4.83 120.64 114.81 1smh n GLU 84 Ca -0.22 -2.20 -0.12 0.00 -0.02 0.00 0.00 57.16 54.61 1smh n GLU 84 Cb 0.64 -0.64 -0.07 0.00 -0.02 0.00 0.00 31.44 31.35 1smh n GLU 84 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1smh h ILE 85 N 4.84 0.98 -0.63 -3.67 2.04 -1.92 -2.40 117.51 116.75 1smh h ILE 85 Ca -0.11 -0.02 0.05 0.00 1.00 0.00 0.00 64.86 65.78 1smh h ILE 85 Cb 1.50 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 38.52 1smh h ILE 85 CO 0.05 0.00 0.36 -0.08 0.00 0.00 0.00 178.15 178.48 1smh h GLU 86 N -0.04 0.66 -0.66 2.37 4.57 -1.96 -0.40 114.58 119.12 1smh h GLU 86 Ca -0.00 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.08 1smh h GLU 86 Cb 0.03 -0.15 -0.03 0.00 -0.16 0.00 0.00 28.75 28.44 1smh h GLU 86 CO 0.01 0.44 0.18 0.45 -1.18 0.00 0.00 179.01 178.90 1smh h HIS 87 N 0.68 1.07 -0.00 0.92 3.86 -1.80 -0.06 115.15 119.83 1smh h HIS 87 Ca 0.27 -0.11 -0.18 0.00 -1.16 0.00 0.00 60.37 59.20 1smh h HIS 87 Cb 0.12 -0.31 -0.02 0.00 1.06 0.00 0.00 27.41 28.27 1smh h HIS 87 CO -0.07 0.87 -0.82 1.79 0.86 0.00 0.00 177.93 180.56 1smh h THR 88 N 0.99 1.54 -0.47 2.45 1.35 -0.90 -2.02 112.91 115.84 1smh h THR 88 Ca 0.21 -2.66 -0.13 0.00 -0.55 0.00 0.00 66.41 63.29 1smh h THR 88 Cb 0.32 2.45 -0.01 0.00 -1.73 0.00 0.00 68.15 69.18 1smh h THR 88 CO -0.00 0.77 -0.20 -0.07 -0.25 0.00 0.00 175.52 175.76 1smh h LEU 89 N 0.05 1.00 -0.38 3.87 3.38 -0.78 -2.90 115.31 119.54 1smh h LEU 89 Ca -0.02 -0.39 0.06 0.00 0.09 0.00 0.00 57.88 57.62 1smh h LEU 89 Cb 1.43 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 41.85 1smh h LEU 89 CO 0.11 1.17 0.03 0.78 0.09 0.00 0.00 178.44 180.62 1smh h ASN 90 N 0.82 -0.10 0.51 -0.43 2.35 -0.85 -1.35 115.58 116.53 1smh h ASN 90 Ca 0.11 0.08 -0.02 0.00 -0.55 0.00 0.00 56.30 55.92 1smh h ASN 90 Cb 0.78 0.13 -0.00 0.00 0.05 0.00 0.00 38.32 39.28 1smh h ASN 90 CO 0.06 -0.01 -0.28 -0.08 -1.65 0.00 0.00 177.43 175.47 1smh h GLU 91 N 0.13 -0.71 -0.26 0.81 4.81 -1.27 -1.14 114.58 116.96 1smh h GLU 91 Ca 0.18 0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.46 1smh h GLU 91 Cb 0.24 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 1smh h GLU 91 CO -0.28 -0.47 0.13 -0.22 -0.73 0.00 0.00 179.01 177.44 1smh h LYS 92 N -0.73 0.36 -0.94 1.92 3.11 -1.48 -1.30 116.57 117.51 1smh h LYS 92 Ca -0.06 -0.05 0.07 0.00 -2.81 0.00 0.00 60.65 57.80 1smh h LYS 92 Cb 0.58 -0.07 -0.06 0.00 -1.00 0.00 0.00 32.23 31.68 1smh h LYS 92 CO 0.09 0.34 0.61 -0.09 -2.81 0.00 0.00 179.45 177.59 1smh h ARG 93 N 0.29 1.05 -0.05 1.90 2.43 -1.04 -1.36 114.38 117.61 1smh h ARG 93 Ca 0.09 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 1smh h ARG 93 Cb 0.09 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.40 1smh h ARG 93 CO -0.01 0.70 -0.07 0.82 -1.51 0.00 0.00 179.97 179.89 1smh h ILE 94 N 1.08 1.40 -0.51 1.20 2.04 -1.10 -3.06 117.51 118.56 1smh h ILE 94 Ca 0.41 -1.29 -0.01 0.00 1.00 0.00 0.00 64.86 64.97 1smh h ILE 94 Cb 0.19 2.14 -0.03 0.00 -0.74 0.00 0.00 36.82 38.39 1smh h ILE 94 CO -0.16 0.35 0.29 -0.07 0.00 0.00 0.00 178.15 178.57 1smh h LEU 95 N -0.34 0.61 -0.53 1.44 3.38 -0.83 -0.99 115.31 118.06 1smh h LEU 95 Ca 0.01 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1smh h LEU 95 Cb 0.60 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1smh h LEU 95 CO 0.02 0.48 0.00 0.06 0.09 0.00 0.00 178.44 179.09 1smh h GLN 96 N 0.70 0.00 0.00 1.13 -0.00 -1.29 -3.28 115.11 112.37 1smh h GLN 96 Ca 0.18 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.83 1smh h GLN 96 Cb -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.48 1smh h GLN 96 CO -0.03 0.00 -1.88 0.00 -0.00 0.00 0.00 178.83 176.92 1smh n ALA 97 N -1.94 2.70 -2.20 0.06 0.00 -0.46 -4.90 120.51 113.77 1smh n ALA 97 Ca 0.03 -0.46 -0.25 0.00 0.00 0.00 0.00 53.44 52.76 1smh n ALA 97 Cb 0.38 -0.65 0.02 0.00 0.00 0.00 0.00 19.45 19.19 1smh n ALA 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1smh s VAL 98 N -3.32 3.89 -0.30 0.00 -7.23 -0.69 -4.43 120.40 108.31 1smh s VAL 98 Ca -0.07 -0.19 -0.02 0.00 -1.81 0.00 0.00 61.98 59.89 1smh s VAL 98 Cb 0.12 -3.49 0.19 0.00 0.56 0.00 0.00 36.38 33.76 1smh s VAL 98 CO 0.80 -0.44 0.64 0.21 -0.31 0.00 0.00 175.10 176.00 1smh s ASN 99 N -4.25 -1.32 -0.08 4.85 3.84 -1.26 -4.97 114.94 111.75 1smh s ASN 99 Ca 0.51 0.79 -0.30 0.00 0.21 0.00 0.00 52.86 54.07 1smh s ASN 99 Cb -0.10 2.10 0.07 0.00 -0.55 0.00 0.00 41.25 42.76 1smh s ASN 99 CO 0.42 -0.25 0.69 0.12 -2.79 0.00 0.00 177.10 175.30 1smh s PHE 100 N 2.87 -0.67 0.56 0.43 5.36 -1.26 -5.06 117.98 120.21 1smh s PHE 100 Ca 0.19 1.20 0.25 0.00 -0.96 0.00 0.00 56.93 57.61 1smh s PHE 100 Cb -0.14 0.40 1.58 0.00 -0.34 0.00 0.00 43.02 44.51 1smh s PHE 100 CO -0.20 -0.58 2.18 -1.35 -1.46 0.00 0.00 175.22 173.81 1smh h PRO 101 N 3.21 0.00 -0.52 10.12 0.11 -1.97 -2.70 132.00 140.25 1smh h PRO 101 Ca -0.27 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.61 1smh h PRO 101 Cb 1.14 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.11 1smh h PRO 101 CO 0.35 0.00 0.13 1.19 -0.21 0.00 0.00 178.00 179.46 1smh n PHE 102 N -4.11 1.65 -4.44 0.65 3.72 -1.26 -4.85 117.46 108.81 1smh n PHE 102 Ca -0.02 -1.51 -0.30 0.00 -0.05 0.00 0.00 57.45 55.57 1smh n PHE 102 Cb 0.15 -0.59 -0.12 0.00 -0.94 0.00 0.00 39.48 37.99 1smh n PHE 102 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1smh s LEU 103 N -3.17 2.72 0.82 4.37 1.43 -1.02 0.04 118.68 123.86 1smh s LEU 103 Ca 0.48 -0.47 -0.13 0.00 -1.03 0.00 0.00 54.13 52.98 1smh s LEU 103 Cb 0.42 -1.58 0.07 0.00 0.03 0.00 0.00 46.19 45.13 1smh s LEU 103 CO 0.05 0.21 1.06 1.33 0.23 0.00 0.00 176.35 179.23 1smh n VAL 104 N 1.11 1.73 -3.94 -1.59 0.24 -0.69 -4.70 118.33 110.48 1smh n VAL 104 Ca -0.16 -0.21 -0.34 0.00 -2.04 0.00 0.00 64.34 61.59 1smh n VAL 104 Cb 0.52 -1.09 -0.14 0.00 -1.47 0.00 0.00 33.84 31.67 1smh n VAL 104 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1smh s LYS 105 N -3.95 2.42 -0.27 7.34 3.01 -1.26 -4.97 119.74 122.07 1smh s LYS 105 Ca 0.71 -1.26 -0.27 0.00 -1.01 0.00 0.00 55.97 54.13 1smh s LYS 105 Cb -0.29 -3.11 0.01 0.00 -1.01 0.00 0.00 37.83 33.43 1smh s LYS 105 CO 0.53 -0.59 0.98 -1.17 0.51 0.00 0.00 175.35 175.61 1smh s LEU 106 N 1.23 4.05 -0.22 3.17 2.96 -1.26 -1.35 118.68 127.25 1smh s LEU 106 Ca -0.06 1.13 -0.12 0.00 -0.22 0.00 0.00 54.13 54.86 1smh s LEU 106 Cb -0.20 -3.42 -0.18 0.00 0.50 0.00 0.00 46.19 42.90 1smh s LEU 106 CO -0.02 -0.70 -0.01 -0.62 -1.32 0.00 0.00 176.35 173.68 1smh n GLU 107 N 6.41 0.63 -4.07 1.98 -0.58 0.26 -4.96 120.64 120.31 1smh n GLU 107 Ca 0.10 0.34 -0.10 0.00 -0.42 0.00 0.00 57.16 57.08 1smh n GLU 107 Cb 0.47 -1.62 -0.11 0.00 -0.57 0.00 0.00 31.44 29.61 1smh n GLU 107 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1smh s PHE 108 N -2.48 0.56 0.01 -0.32 0.08 -0.85 -5.02 117.98 109.96 1smh s PHE 108 Ca -0.32 -0.73 -0.09 0.00 0.12 0.00 0.00 56.93 55.91 1smh s PHE 108 Cb 0.09 -0.36 0.01 0.00 -0.57 0.00 0.00 43.02 42.19 1smh s PHE 108 CO 0.60 -0.20 0.18 -1.54 -0.10 0.00 0.00 175.22 174.16 1smh s SER 109 N -2.17 -0.01 0.22 1.36 1.04 -1.26 -0.58 113.70 112.30 1smh s SER 109 Ca -0.03 -0.19 -0.22 0.00 0.48 0.00 0.00 55.95 55.99 1smh s SER 109 Cb -0.03 0.24 0.07 0.00 0.10 0.00 0.00 66.02 66.40 1smh s SER 109 CO -0.04 -0.42 0.95 0.72 0.98 0.00 0.00 173.24 175.43 1smh s PHE 110 N -1.62 0.01 0.07 5.02 -0.71 -0.71 -1.86 117.98 118.18 1smh s PHE 110 Ca -0.13 -0.44 -0.07 0.00 -1.04 0.00 0.00 56.93 55.26 1smh s PHE 110 Cb -0.06 0.71 -0.01 0.00 -1.21 0.00 0.00 43.02 42.45 1smh s PHE 110 CO 0.01 -1.03 0.13 -1.59 -1.34 0.00 0.00 175.22 171.40 1smh s LYS 111 N -2.61 0.76 0.00 1.99 -2.85 -1.26 -0.28 119.74 115.49 1smh s LYS 111 Ca 0.17 -0.99 0.00 0.00 -1.00 0.00 0.00 55.97 54.16 1smh s LYS 111 Cb -0.03 0.30 0.00 0.00 -2.06 0.00 0.00 37.83 36.04 1smh s LYS 111 CO 0.06 -0.22 0.00 -0.40 0.10 0.00 0.00 175.35 174.89 1smh n ASP 112 N 0.08 0.15 0.20 0.03 5.68 -0.68 -5.01 116.55 117.00 1smh n ASP 112 Ca -0.15 -0.18 0.05 0.00 -0.50 0.00 0.00 54.79 54.00 1smh n ASP 112 Cb 0.62 0.00 0.47 0.00 -1.14 0.00 0.00 41.12 41.07 1smh n ASP 112 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 1smh h ASN 113 N 0.00 0.06 0.00 -1.12 -0.26 -1.93 -3.28 115.58 109.05 1smh h ASN 113 Ca 0.00 -0.01 -0.20 0.00 -0.56 0.00 0.00 56.30 55.53 1smh h ASN 113 Cb 0.00 -0.02 -0.04 0.00 -1.06 0.00 0.00 38.32 37.21 1smh h ASN 113 CO 0.00 0.23 -1.76 -1.20 -1.06 0.00 0.00 177.43 173.64 1smh n SER 114 N -4.32 2.70 -4.26 5.81 7.64 -1.26 -0.59 113.62 119.34 1smh n SER 114 Ca -0.02 -0.04 -0.15 0.00 1.01 0.00 0.00 58.87 59.67 1smh n SER 114 Cb 0.25 0.18 -0.10 0.00 -1.01 0.00 0.00 64.21 63.52 1smh n SER 114 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1smh s ASN 115 N -4.92 1.61 0.03 6.43 0.01 -1.24 -1.74 114.94 115.12 1smh s ASN 115 Ca -0.13 -1.11 0.02 0.00 -0.71 0.00 0.00 52.86 50.93 1smh s ASN 115 Cb 0.04 0.03 -0.04 0.00 0.41 0.00 0.00 41.25 41.70 1smh s ASN 115 CO 0.37 -0.45 0.03 -0.76 -1.51 0.00 0.00 177.10 174.77 1smh s LEU 116 N -3.20 3.61 -0.03 0.60 1.43 -0.13 -1.68 118.68 119.28 1smh s LEU 116 Ca 0.21 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.31 1smh s LEU 116 Cb 0.04 -2.17 0.02 0.00 0.03 0.00 0.00 46.19 44.11 1smh s LEU 116 CO 0.03 0.24 -0.04 -0.31 0.23 0.00 0.00 176.35 176.50 1smh s TYR 117 N -1.20 0.61 -0.13 0.29 1.51 0.61 -1.19 117.35 117.86 1smh s TYR 117 Ca 0.23 -0.14 -0.00 0.00 -1.01 0.00 0.00 57.07 56.15 1smh s TYR 117 Cb -0.12 -0.54 0.03 0.00 -0.11 0.00 0.00 41.96 41.22 1smh s TYR 117 CO 0.14 -0.14 -0.08 -1.64 -1.11 0.00 0.00 175.55 172.72 1smh s MET 118 N 0.70 1.65 -0.27 -0.62 -1.94 -0.79 -1.74 119.30 116.29 1smh s MET 118 Ca -0.09 -0.34 -0.08 0.00 -1.71 0.00 0.00 55.69 53.47 1smh s MET 118 Cb -0.12 -1.72 -0.02 0.00 2.01 0.00 0.00 34.83 34.97 1smh s MET 118 CO -0.00 -0.28 0.11 0.08 -0.01 0.00 0.00 175.02 174.91 1smh s VAL 119 N 1.66 4.50 0.23 -6.03 1.01 0.25 -0.42 120.40 121.60 1smh s VAL 119 Ca 0.05 -0.21 0.07 0.00 0.00 0.00 0.00 61.98 61.89 1smh s VAL 119 Cb -0.13 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 33.04 1smh s VAL 119 CO -0.09 0.25 -0.11 -0.04 0.00 0.00 0.00 175.10 175.12 1smh s MET 120 N 1.63 1.41 0.33 2.72 -1.94 0.10 -0.57 119.30 122.99 1smh s MET 120 Ca 0.06 -1.66 -0.29 0.00 -1.71 0.00 0.00 55.69 52.09 1smh s MET 120 Cb -0.16 -1.12 -0.12 0.00 2.01 0.00 0.00 34.83 35.44 1smh s MET 120 CO 0.05 0.13 1.49 -1.91 -0.01 0.00 0.00 175.02 174.76 1smh n GLU 121 N -0.46 2.55 -2.60 2.03 2.13 -0.46 -0.89 120.64 122.95 1smh n GLU 121 Ca -0.07 0.90 -0.42 0.00 0.66 0.00 0.00 57.16 58.23 1smh n GLU 121 Cb 0.62 -2.62 -0.03 0.00 0.27 0.00 0.00 31.44 29.68 1smh n GLU 121 CO 0.00 0.00 0.00 -0.47 -0.41 0.00 0.00 177.13 176.25 1smh s TYR 122 N -0.68 3.41 -0.40 4.31 5.04 -1.26 -4.43 117.35 123.35 1smh s TYR 122 Ca 0.58 1.46 -0.05 0.00 -2.44 0.00 0.00 57.07 56.62 1smh s TYR 122 Cb -0.51 -3.27 0.09 0.00 0.35 0.00 0.00 41.96 38.62 1smh s TYR 122 CO 0.58 -0.63 0.20 0.00 -1.34 0.00 0.00 175.55 174.36 1smh s ALA 123 N 1.95 3.16 -1.84 3.97 0.00 -1.26 -4.97 121.76 122.78 1smh s ALA 123 Ca 0.52 -2.26 0.31 0.00 0.00 0.00 0.00 51.96 50.54 1smh s ALA 123 Cb -0.21 -2.45 1.78 0.00 0.00 0.00 0.00 23.12 22.24 1smh s ALA 123 CO 0.21 -1.66 2.17 -0.35 0.00 0.00 0.00 175.76 176.13 1smh n PRO 124 N 4.74 0.84 0.05 0.00 -0.04 -1.25 -3.70 135.00 135.64 1smh n PRO 124 Ca -0.07 -0.01 0.13 0.00 -0.04 0.00 0.00 63.50 63.51 1smh n PRO 124 Cb 0.42 -1.50 0.49 0.00 -0.04 0.00 0.00 33.50 32.87 1smh n PRO 124 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1smh n GLY 125 N 1.09 -1.58 0.00 0.55 0.00 0.14 -4.58 105.19 100.81 1smh n GLY 125 Ca 0.21 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1smh n GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1smh n GLY 126 N 1.41 -0.93 3.76 -0.02 0.00 -1.24 -4.69 105.19 103.48 1smh n GLY 126 Ca 0.06 -1.66 -0.40 0.00 0.00 0.00 0.00 46.02 44.02 1smh n GLY 126 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1smh s GLU 127 N -1.00 4.63 0.32 1.61 2.02 -1.26 -0.66 118.70 124.36 1smh s GLU 127 Ca 0.00 1.80 0.09 0.00 0.02 0.00 0.00 54.97 56.88 1smh s GLU 127 Cb 0.00 -3.20 0.85 0.00 0.10 0.00 0.00 34.13 31.88 1smh s GLU 127 CO 0.00 0.19 1.75 1.98 0.02 0.00 0.00 175.26 179.21 1smh h MET 128 N 3.97 0.62 -0.63 1.61 1.85 -1.06 -1.98 114.93 119.30 1smh h MET 128 Ca -0.46 -0.04 0.12 0.00 -0.61 0.00 0.00 59.70 58.71 1smh h MET 128 Cb 1.21 -0.14 -0.12 0.00 0.43 0.00 0.00 31.60 32.98 1smh h MET 128 CO 0.68 0.41 -0.27 0.35 -0.40 0.00 0.00 176.91 177.68 1smh h PHE 129 N 0.64 -0.71 -0.30 1.39 3.57 -1.68 0.68 116.94 120.53 1smh h PHE 129 Ca 0.61 0.07 0.03 0.00 3.53 0.00 0.00 57.97 62.21 1smh h PHE 129 Cb 1.11 0.41 -0.03 0.00 2.79 0.00 0.00 35.95 40.22 1smh h PHE 129 CO -0.00 -0.35 0.10 0.77 -2.23 0.00 0.00 178.31 176.60 1smh h SER 130 N -0.10 0.11 0.18 0.41 0.02 -1.68 -0.61 113.55 111.88 1smh h SER 130 Ca 0.27 0.03 -0.11 0.00 -0.84 0.00 0.00 61.79 61.15 1smh h SER 130 Cb 0.54 0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 1smh h SER 130 CO -0.70 0.10 -0.40 0.45 -1.14 0.00 0.00 176.83 175.14 1smh h HIS 131 N 0.23 0.34 -0.15 3.45 3.86 -1.41 -2.36 115.15 119.12 1smh h HIS 131 Ca 0.14 -0.09 -0.07 0.00 -1.16 0.00 0.00 60.37 59.19 1smh h HIS 131 Cb 0.11 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.50 1smh h HIS 131 CO -0.14 0.65 -0.17 1.25 0.86 0.00 0.00 177.93 180.39 1smh h LEU 132 N 0.24 0.40 -0.39 2.43 5.85 -0.52 -0.27 115.31 123.05 1smh h LEU 132 Ca 0.02 -0.49 -0.10 0.00 0.84 0.00 0.00 57.88 58.15 1smh h LEU 132 Cb 0.81 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1smh h LEU 132 CO 0.06 0.81 -0.14 0.03 -0.34 0.00 0.00 178.44 178.87 1smh h ARG 133 N -0.00 0.79 0.29 1.25 2.47 -1.13 0.15 114.38 118.19 1smh h ARG 133 Ca 0.02 -0.32 -0.01 0.00 -1.26 0.00 0.00 59.98 58.40 1smh h ARG 133 Cb 0.71 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.00 1smh h ARG 133 CO 0.04 0.94 -0.14 -0.09 0.56 0.00 0.00 179.97 181.29 1smh h ARG 134 N 0.60 -0.37 -0.25 0.04 2.43 -1.41 -3.19 114.38 112.23 1smh h ARG 134 Ca 0.09 0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.16 1smh h ARG 134 Cb 0.68 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 1smh h ARG 134 CO 0.05 -0.13 -0.37 0.82 -1.51 0.00 0.00 179.97 178.83 1smh h ILE 135 N -0.57 1.29 0.00 1.20 2.04 -1.07 -3.48 117.51 116.93 1smh h ILE 135 Ca -0.04 -1.51 0.00 0.00 1.00 0.00 0.00 64.86 64.31 1smh h ILE 135 Cb 0.41 1.51 0.00 0.00 -0.74 0.00 0.00 36.82 38.00 1smh h ILE 135 CO 0.06 0.48 0.00 0.61 0.00 0.00 0.00 178.15 179.30 1smh n GLY 136 N -0.09 2.82 3.33 5.37 0.00 0.52 -4.97 105.19 112.18 1smh n GLY 136 Ca -0.01 -0.74 -0.10 0.00 0.00 0.00 0.00 46.02 45.16 1smh n GLY 136 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1smh s ARG 137 N 0.00 1.09 0.01 1.61 1.70 -1.26 -3.79 118.95 118.32 1smh s ARG 137 Ca 0.00 -0.78 -0.02 0.00 -0.47 0.00 0.00 55.73 54.46 1smh s ARG 137 Cb 0.00 0.46 -0.04 0.00 -0.57 0.00 0.00 34.95 34.80 1smh s ARG 137 CO 0.00 -0.43 0.20 -0.06 -1.08 0.00 0.00 175.30 173.93 1smh s PHE 138 N -3.83 3.55 1.03 5.89 0.08 0.08 -4.99 117.98 119.79 1smh s PHE 138 Ca 0.05 0.35 -0.12 0.00 0.12 0.00 0.00 56.93 57.33 1smh s PHE 138 Cb 0.02 -1.83 0.21 0.00 -0.57 0.00 0.00 43.02 40.85 1smh s PHE 138 CO -0.10 0.63 1.08 -1.54 -0.10 0.00 0.00 175.22 175.19 1smh s SER 139 N -2.04 2.05 0.17 1.36 1.04 -1.26 -4.39 113.70 110.63 1smh s SER 139 Ca 0.29 1.78 -0.12 0.00 0.48 0.00 0.00 55.95 58.38 1smh s SER 139 Cb -0.13 -2.39 0.06 0.00 0.10 0.00 0.00 66.02 63.66 1smh s SER 139 CO 0.20 -3.58 1.68 -0.33 0.98 0.00 0.00 173.24 172.19 1smh h GLU 140 N -2.20 0.91 -0.92 4.02 5.08 -1.95 -0.69 114.58 118.84 1smh h GLU 140 Ca -0.53 -0.22 0.03 0.00 -1.00 0.00 0.00 59.36 57.64 1smh h GLU 140 Cb 1.30 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 30.38 1smh h GLU 140 CO 0.47 0.85 0.60 -1.35 -1.00 0.00 0.00 179.01 178.58 1smh h PRO 141 N 0.82 1.15 -0.04 2.33 0.11 -1.98 0.12 132.00 134.51 1smh h PRO 141 Ca 0.18 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.22 1smh h PRO 141 Cb 0.34 -0.26 -0.00 0.00 0.11 0.00 0.00 31.00 31.19 1smh h PRO 141 CO 0.00 0.76 0.02 1.25 -0.21 0.00 0.00 178.00 179.82 1smh h HIS 142 N 1.18 0.05 -0.68 0.65 2.76 -1.87 -1.90 115.15 115.35 1smh h HIS 142 Ca 0.36 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.47 1smh h HIS 142 Cb -0.04 -0.02 -0.03 0.00 1.55 0.00 0.00 27.41 28.88 1smh h HIS 142 CO -0.01 0.15 0.20 0.00 -1.30 0.00 0.00 177.93 176.97 1smh h ALA 143 N 0.89 1.08 -0.51 5.26 0.00 -0.91 -2.72 119.26 122.35 1smh h ALA 143 Ca 0.01 -0.22 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 1smh h ALA 143 Cb 0.12 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1smh h ALA 143 CO -0.00 0.62 -0.07 -0.09 0.00 0.00 0.00 179.25 179.71 1smh h ARG 144 N 1.00 0.91 -0.52 0.00 2.43 -0.69 0.21 114.38 117.72 1smh h ARG 144 Ca 0.22 -0.30 0.06 0.00 -0.81 0.00 0.00 59.98 59.15 1smh h ARG 144 Cb 0.29 -0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.71 1smh h ARG 144 CO -0.01 0.95 0.22 0.35 -1.51 0.00 0.00 179.97 179.97 1smh h PHE 145 N 0.83 0.39 -0.10 2.20 3.57 -1.04 0.08 116.94 122.88 1smh h PHE 145 Ca 0.14 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.57 1smh h PHE 145 Cb 0.59 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.23 1smh h PHE 145 CO 0.04 0.16 -0.30 1.88 -2.23 0.00 0.00 178.31 177.85 1smh h TYR 146 N 0.42 0.48 -0.76 0.41 0.05 -1.30 -3.21 116.97 113.06 1smh h TYR 146 Ca 0.24 -0.20 0.09 0.00 0.05 0.00 0.00 58.73 58.91 1smh h TYR 146 Cb 0.22 -0.08 -0.05 0.00 1.01 0.00 0.00 36.73 37.83 1smh h TYR 146 CO -0.14 0.91 0.50 0.00 -1.05 0.00 0.00 178.16 178.39 1smh h ALA 147 N 0.48 1.75 -0.66 3.88 0.00 -0.73 -2.21 119.26 121.76 1smh h ALA 147 Ca -0.01 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 1smh h ALA 147 Cb 0.92 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1smh h ALA 147 CO 0.06 0.10 0.13 0.00 0.00 0.00 0.00 179.25 179.55 1smh h ALA 148 N 1.60 0.97 -0.45 0.00 0.00 -0.99 -1.39 119.26 119.01 1smh h ALA 148 Ca 0.34 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1smh h ALA 148 Cb 0.39 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1smh h ALA 148 CO -0.13 0.65 0.00 1.96 0.00 0.00 0.00 179.25 181.74 1smh h GLN 149 N 1.01 0.74 -0.52 0.00 4.20 -1.43 -2.59 115.11 116.53 1smh h GLN 149 Ca 0.21 -0.19 -0.10 0.00 0.06 0.00 0.00 58.65 58.63 1smh h GLN 149 Cb 0.40 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 1smh h GLN 149 CO 0.01 0.75 -0.05 0.82 -0.67 0.00 0.00 178.83 179.69 1smh h ILE 150 N 0.70 1.27 -0.48 2.54 1.08 -0.93 -1.25 117.51 120.44 1smh h ILE 150 Ca 0.14 -1.17 0.00 0.00 -0.39 0.00 0.00 64.86 63.44 1smh h ILE 150 Cb 0.43 0.98 -0.02 0.00 -3.07 0.00 0.00 36.82 35.13 1smh h ILE 150 CO 0.02 0.41 0.30 0.58 -0.69 0.00 0.00 178.15 178.77 1smh h VAL 151 N 0.81 1.13 -0.34 1.67 2.07 -1.05 0.14 116.25 120.69 1smh h VAL 151 Ca 0.14 -0.28 -0.15 0.00 0.82 0.00 0.00 66.70 67.23 1smh h VAL 151 Cb 0.59 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1smh h VAL 151 CO 0.04 0.13 -0.40 -0.07 0.02 0.00 0.00 177.57 177.29 1smh h LEU 152 N 0.64 0.89 -0.66 2.57 3.38 -1.44 -0.82 115.31 119.86 1smh h LEU 152 Ca 0.17 -0.41 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 1smh h LEU 152 Cb -0.04 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 1smh h LEU 152 CO -0.04 1.18 0.23 0.74 0.09 0.00 0.00 178.44 180.64 1smh h THR 153 N 0.68 1.25 -0.36 0.22 2.02 -0.69 -0.94 112.91 115.09 1smh h THR 153 Ca 0.05 -0.83 -0.15 0.00 0.77 0.00 0.00 66.41 66.26 1smh h THR 153 Cb 0.97 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 1smh h THR 153 CO 0.09 0.32 -0.36 -0.26 0.37 0.00 0.00 175.52 175.68 1smh h PHE 154 N 0.96 1.00 -0.59 3.16 0.04 -0.65 0.69 116.94 121.54 1smh h PHE 154 Ca 0.22 -0.29 0.05 0.00 2.80 0.00 0.00 57.97 60.75 1smh h PHE 154 Cb 0.27 -0.22 -0.05 0.00 2.20 0.00 0.00 35.95 38.16 1smh h PHE 154 CO 0.02 1.07 0.32 1.49 -0.60 0.00 0.00 178.31 180.61 1smh h GLU 155 N 0.69 0.59 0.30 1.51 4.81 -0.95 -0.02 114.58 121.51 1smh h GLU 155 Ca 0.06 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1smh h GLU 155 Cb 0.93 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.18 1smh h GLU 155 CO 0.09 0.39 -0.14 -0.92 -0.73 0.00 0.00 179.01 177.70 1smh h TYR 156 N 0.61 -0.37 0.24 0.92 3.20 -0.83 -2.40 116.97 118.34 1smh h TYR 156 Ca 0.26 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.12 1smh h TYR 156 Cb 0.14 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 1smh h TYR 156 CO -0.09 -0.11 -0.19 -0.07 -1.64 0.00 0.00 178.16 176.06 1smh h LEU 157 N -0.59 -0.50 -1.17 2.82 3.38 -0.75 -2.74 115.31 115.76 1smh h LEU 157 Ca -0.04 0.04 0.14 0.00 0.09 0.00 0.00 57.88 58.12 1smh h LEU 157 Cb 0.43 0.17 -0.08 0.00 0.09 0.00 0.00 40.66 41.26 1smh h LEU 157 CO 0.07 -0.30 0.60 0.45 0.09 0.00 0.00 178.44 179.35 1smh h HIS 158 N -0.44 0.95 0.00 1.13 3.86 -1.05 -0.61 115.15 118.99 1smh h HIS 158 Ca -0.01 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1smh h HIS 158 Cb 0.40 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.57 1smh h HIS 158 CO -0.13 0.34 0.00 0.66 0.86 0.00 0.00 177.93 179.66 1smh h SER 159 N 0.79 0.00 -0.46 2.45 4.64 -1.13 -0.88 113.55 118.96 1smh h SER 159 Ca 0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 1smh h SER 159 Cb 0.69 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 1smh h SER 159 CO -0.25 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 175.89 1smh n LEU 160 N -2.91 2.54 -1.51 5.97 4.32 -0.30 -4.94 117.00 120.17 1smh n LEU 160 Ca 0.00 -1.27 -0.18 0.00 -0.02 0.00 0.00 56.01 54.54 1smh n LEU 160 Cb 0.24 -0.32 -0.06 0.00 -1.62 0.00 0.00 43.42 41.66 1smh n LEU 160 CO 0.24 0.62 -0.18 0.47 -1.22 0.00 0.00 177.39 177.32 1smh n ASP 161 N 0.85 -5.12 -4.82 -1.43 8.00 -0.33 -4.91 116.55 108.79 1smh n ASP 161 Ca 0.16 0.32 -0.38 0.00 0.71 0.00 0.00 54.79 55.60 1smh n ASP 161 Cb 0.41 -4.17 -0.06 0.00 -0.02 0.00 0.00 41.12 37.28 1smh n ASP 161 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1smh s LEU 162 N -4.25 4.43 -0.06 0.64 1.43 -0.79 -0.55 118.68 119.52 1smh s LEU 162 Ca 0.00 0.84 0.02 0.00 -1.03 0.00 0.00 54.13 53.96 1smh s LEU 162 Cb 0.00 -2.50 -0.03 0.00 0.03 0.00 0.00 46.19 43.70 1smh s LEU 162 CO 0.00 0.29 -0.12 -0.51 0.23 0.00 0.00 176.35 176.25 1smh s ILE 163 N -0.81 3.28 -0.23 -0.59 2.07 0.44 -3.57 121.20 121.79 1smh s ILE 163 Ca 0.22 -0.63 -0.16 0.00 -1.41 0.00 0.00 60.65 58.66 1smh s ILE 163 Cb -0.16 -2.31 -0.12 0.00 0.13 0.00 0.00 42.46 40.00 1smh s ILE 163 CO 0.11 0.59 -0.20 0.00 -1.91 0.00 0.00 174.94 173.53 1smh n TYR 164 N 2.38 0.34 -0.89 3.50 9.36 -1.26 -1.45 117.16 129.14 1smh n TYR 164 Ca -0.17 0.15 0.00 0.00 3.32 0.00 0.00 57.90 61.19 1smh n TYR 164 Cb 0.52 -0.93 0.00 0.00 -0.63 0.00 0.00 39.34 38.31 1smh n TYR 164 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1smh n ARG 165 N -4.36 -0.52 -2.78 2.98 1.74 -1.26 -3.32 116.66 109.14 1smh n ARG 165 Ca -0.38 0.13 -0.03 0.00 -0.77 0.00 0.00 57.85 56.79 1smh n ARG 165 Cb 0.72 -3.74 0.04 0.00 -1.02 0.00 0.00 32.46 28.47 1smh n ARG 165 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1smh n ASP 166 N -0.26 1.52 -4.75 0.55 2.03 -1.26 -4.43 116.55 109.94 1smh n ASP 166 Ca 0.00 -2.25 -0.41 0.00 0.52 0.00 0.00 54.79 52.65 1smh n ASP 166 Cb 0.13 -0.49 -0.03 0.00 -0.72 0.00 0.00 41.12 40.01 1smh n ASP 166 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1smh s LEU 167 N -3.58 4.43 0.00 -2.67 2.96 -1.26 -4.84 118.68 113.72 1smh s LEU 167 Ca 0.27 2.55 0.00 0.00 -0.22 0.00 0.00 54.13 56.73 1smh s LEU 167 Cb 0.37 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 43.43 1smh s LEU 167 CO -0.01 -0.53 0.00 2.29 -1.32 0.00 0.00 176.35 176.78 1smh n LYS 168 N 1.75 0.00 0.06 1.98 2.85 -1.26 -4.91 118.16 118.63 1smh n LYS 168 Ca 0.03 0.00 0.19 0.00 -1.05 0.00 0.00 58.31 57.48 1smh n LYS 168 Cb 0.42 0.00 0.72 0.00 -0.65 0.00 0.00 35.03 35.52 1smh n LYS 168 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 177.40 176.00 1smh h PRO 169 N 0.00 0.00 0.00 -1.58 0.11 -1.94 -0.82 132.00 127.77 1smh h PRO 169 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 1smh h PRO 169 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 1smh h PRO 169 CO 0.00 0.00 -0.04 0.93 -0.21 0.00 0.00 178.00 178.68 1smh h GLU 170 N 0.00 0.00 -0.54 1.05 3.07 -1.94 -2.31 114.58 113.91 1smh h GLU 170 Ca 0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 1smh h GLU 170 Cb 0.89 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.80 1smh h GLU 170 CO -0.00 0.04 0.00 0.09 -1.40 0.00 0.00 179.01 177.74 1smh n ASN 171 N -4.15 4.39 -3.97 1.42 4.13 -0.31 -4.86 115.26 111.90 1smh n ASN 171 Ca -0.03 -2.49 -0.31 0.00 1.68 0.00 0.00 54.58 53.44 1smh n ASN 171 Cb 0.13 -0.52 -0.16 0.00 -1.54 0.00 0.00 39.78 37.68 1smh n ASN 171 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1smh s LEU 172 N -1.91 2.56 0.29 3.41 1.43 -1.13 -1.46 118.68 121.86 1smh s LEU 172 Ca 0.46 -1.09 -0.10 0.00 -1.03 0.00 0.00 54.13 52.36 1smh s LEU 172 Cb 0.30 -1.24 -0.07 0.00 0.03 0.00 0.00 46.19 45.21 1smh s LEU 172 CO 0.20 -0.20 0.63 -0.04 0.23 0.00 0.00 176.35 177.17 1smh s MET 173 N 1.36 3.81 -0.16 1.70 -1.94 -0.22 -1.00 119.30 122.86 1smh s MET 173 Ca -0.04 0.35 -0.03 0.00 -1.71 0.00 0.00 55.69 54.25 1smh s MET 173 Cb -0.18 -2.56 -0.02 0.00 2.01 0.00 0.00 34.83 34.08 1smh s MET 173 CO -0.07 0.20 -0.06 0.42 -0.01 0.00 0.00 175.02 175.51 1smh s ILE 174 N -1.99 3.63 0.45 2.53 -1.09 0.16 -0.89 121.20 123.99 1smh s ILE 174 Ca 0.49 -0.45 -0.02 0.00 -2.23 0.00 0.00 60.65 58.45 1smh s ILE 174 Cb -0.11 -2.58 0.09 0.00 -1.58 0.00 0.00 42.46 38.28 1smh s ILE 174 CO 0.24 0.49 0.62 -0.90 -1.23 0.00 0.00 174.94 174.15 1smh n ASP 175 N 3.70 0.68 -0.13 3.58 5.68 0.28 -0.68 116.55 129.65 1smh n ASP 175 Ca -0.18 -1.61 0.04 0.00 -0.50 0.00 0.00 54.79 52.54 1smh n ASP 175 Cb 0.52 -0.41 0.34 0.00 -1.14 0.00 0.00 41.12 40.43 1smh n ASP 175 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 1smh h GLN 176 N 0.00 0.75 -0.00 0.11 4.15 -1.93 -1.05 115.11 117.13 1smh h GLN 176 Ca -0.20 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.17 1smh h GLN 176 Cb 0.71 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.24 1smh h GLN 176 CO 0.20 0.49 -0.00 1.04 -1.93 0.00 0.00 178.83 178.63 1smh n GLN 177 N -4.46 1.17 -0.69 1.69 3.00 -1.26 -4.86 117.38 111.98 1smh n GLN 177 Ca 0.07 -0.29 0.00 0.00 -0.01 0.00 0.00 57.00 56.78 1smh n GLN 177 Cb 0.11 -1.49 0.00 0.00 0.00 0.00 0.00 30.24 28.86 1smh n GLN 177 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1smh n GLY 178 N 1.06 0.70 3.92 1.08 0.00 -0.40 -4.59 105.19 106.97 1smh n GLY 178 Ca 0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 1smh n GLY 178 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1smh s TYR 179 N -2.34 3.32 0.15 1.61 1.51 -1.26 -4.78 117.35 115.56 1smh s TYR 179 Ca 0.00 0.58 -0.07 0.00 -1.01 0.00 0.00 57.07 56.58 1smh s TYR 179 Cb 0.00 -2.53 -0.06 0.00 -0.11 0.00 0.00 41.96 39.26 1smh s TYR 179 CO 0.00 -0.59 0.42 0.42 -1.11 0.00 0.00 175.55 174.69 1smh s ILE 180 N -2.83 5.11 -0.16 2.71 1.01 -1.26 -0.55 121.20 125.23 1smh s ILE 180 Ca 0.51 0.19 -0.00 0.00 0.00 0.00 0.00 60.65 61.35 1smh s ILE 180 Cb -0.10 -3.62 0.03 0.00 0.01 0.00 0.00 42.46 38.78 1smh s ILE 180 CO 0.43 0.05 -0.08 -1.10 0.00 0.00 0.00 174.94 174.24 1smh s GLN 181 N -2.58 1.71 0.02 2.79 -0.21 -0.07 -4.34 119.66 116.98 1smh s GLN 181 Ca 0.41 -0.52 -0.30 0.00 0.02 0.00 0.00 55.36 54.97 1smh s GLN 181 Cb -0.12 -2.00 -0.06 0.00 1.00 0.00 0.00 33.01 31.83 1smh s GLN 181 CO 0.23 -0.36 1.37 0.08 -2.12 0.00 0.00 175.29 174.49 1smh s VAL 182 N 1.58 3.71 0.00 1.09 1.01 0.11 -1.05 120.40 126.85 1smh s VAL 182 Ca 0.02 1.13 0.00 0.00 0.00 0.00 0.00 61.98 63.13 1smh s VAL 182 Cb -0.14 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1smh s VAL 182 CO -0.08 0.02 0.00 1.07 0.00 0.00 0.00 175.10 176.11 1smh n THR 183 N 4.46 0.00 -3.26 3.92 5.66 -0.54 -1.70 114.28 122.83 1smh n THR 183 Ca 0.12 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 61.01 1smh n THR 183 Cb 0.44 -0.22 0.03 0.00 -1.55 0.00 0.00 70.33 69.03 1smh n THR 183 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1smh n ASP 184 N -0.81 -6.85 -0.98 1.09 8.00 -1.26 -4.90 116.55 110.85 1smh n ASP 184 Ca 0.00 -0.51 0.04 0.00 0.71 0.00 0.00 54.79 55.03 1smh n ASP 184 Cb 0.00 -4.82 0.18 0.00 -0.02 0.00 0.00 41.12 36.45 1smh n ASP 184 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1smh n PHE 185 N -2.74 0.80 0.09 1.24 3.01 -1.26 -4.40 117.46 114.20 1smh n PHE 185 Ca -0.06 -0.30 0.12 0.00 1.01 0.00 0.00 57.45 58.22 1smh n PHE 185 Cb 0.57 -0.19 0.60 0.00 -0.01 0.00 0.00 39.48 40.45 1smh n PHE 185 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 1smh h GLY 186 N 4.79 0.18 -1.78 1.37 0.00 -1.90 -1.96 103.07 103.75 1smh h GLY 186 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1smh h GLY 186 CO 0.15 0.04 0.00 1.04 0.00 0.00 0.00 176.54 177.78 1smh n LEU 187 N -4.47 2.92 -4.80 3.11 4.77 -1.26 -4.56 117.00 112.71 1smh n LEU 187 Ca 0.04 -1.25 -0.34 0.00 -0.03 0.00 0.00 56.01 54.42 1smh n LEU 187 Cb 0.29 -0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 41.22 1smh n LEU 187 CO 0.35 0.57 0.69 0.00 -1.33 0.00 0.00 177.39 177.67 1smh s ALA 188 N -1.50 3.00 -0.07 -1.18 0.00 -0.74 -4.67 121.76 116.59 1smh s ALA 188 Ca 0.28 0.55 -0.12 0.00 0.00 0.00 0.00 51.96 52.66 1smh s ALA 188 Cb 0.18 -3.21 0.03 0.00 0.00 0.00 0.00 23.12 20.11 1smh s ALA 188 CO 0.26 -0.10 0.31 0.21 0.00 0.00 0.00 175.76 176.43 1smh s LYS 189 N -2.99 0.48 -0.30 0.00 2.20 -0.53 -4.61 119.74 114.00 1smh s LYS 189 Ca 0.62 0.17 -0.19 0.00 -0.36 0.00 0.00 55.97 56.21 1smh s LYS 189 Cb -0.15 0.22 -0.02 0.00 -1.51 0.00 0.00 37.83 36.38 1smh s LYS 189 CO 0.19 -0.10 0.56 0.50 -0.36 0.00 0.00 175.35 176.14 1smh s ARG 190 N -0.45 3.92 -0.06 4.03 3.52 -1.26 -0.42 118.95 128.23 1smh s ARG 190 Ca -0.06 0.22 -0.04 0.00 -0.13 0.00 0.00 55.73 55.72 1smh s ARG 190 Cb -0.04 -3.71 0.02 0.00 -1.56 0.00 0.00 34.95 29.66 1smh s ARG 190 CO 0.02 -0.49 0.14 0.08 -0.81 0.00 0.00 175.30 174.24 1smh s VAL 191 N 2.45 -0.01 -0.15 7.11 1.01 0.29 -5.00 120.40 126.10 1smh s VAL 191 Ca 0.22 0.04 -0.05 0.00 0.00 0.00 0.00 61.98 62.20 1smh s VAL 191 Cb -0.15 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.98 1smh s VAL 191 CO 0.11 0.02 0.02 -0.54 0.00 0.00 0.00 175.10 174.71 1smh s LYS 192 N 0.35 3.63 2.87 2.72 1.02 -1.26 -4.70 119.74 124.37 1smh s LYS 192 Ca -0.02 -0.40 0.00 0.00 0.02 0.00 0.00 55.97 55.57 1smh s LYS 192 Cb -0.04 -3.02 0.00 0.00 -0.52 0.00 0.00 37.83 34.25 1smh s LYS 192 CO -0.01 0.39 0.00 0.41 -0.92 0.00 0.00 175.35 175.22 1smh n GLY 193 N 3.13 -0.12 3.86 -3.33 0.00 -1.26 -4.96 105.19 102.50 1smh n GLY 193 Ca -0.17 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.53 1smh n GLY 193 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1smh s ARG 194 N 0.00 3.87 0.19 1.61 0.52 -1.26 -4.84 118.95 119.04 1smh s ARG 194 Ca 0.00 0.60 0.03 0.00 -0.52 0.00 0.00 55.73 55.84 1smh s ARG 194 Cb 0.00 -2.36 -0.05 0.00 0.52 0.00 0.00 34.95 33.06 1smh s ARG 194 CO 0.00 -0.02 -0.02 -0.08 0.02 0.00 0.00 175.30 175.20 1smh s THR 195 N -2.31 0.91 -0.10 0.02 -1.32 -0.51 -4.91 115.64 107.42 1smh s THR 195 Ca 0.53 -2.02 -0.00 0.00 -1.21 0.00 0.00 61.69 58.99 1smh s THR 195 Cb -0.10 -2.17 0.02 0.00 -1.51 0.00 0.00 72.50 68.75 1smh s THR 195 CO 0.27 -0.46 -0.07 0.26 -2.21 0.00 0.00 174.62 172.42 1smh s TRP 196 N -3.50 1.35 -0.36 9.09 0.51 -1.26 -1.45 118.94 123.31 1smh s TRP 196 Ca 0.25 -0.64 0.00 0.00 -2.12 0.00 0.00 56.10 53.59 1smh s TRP 196 Cb 0.05 -1.16 0.12 0.00 -0.81 0.00 0.00 33.47 31.68 1smh s TRP 196 CO 0.05 -0.48 0.17 -1.17 -0.51 0.00 0.00 176.95 175.02 1smh s LEU 198 N 1.71 2.04 0.10 2.99 0.20 -1.26 -4.93 118.68 119.53 1smh s LEU 198 Ca 0.04 -2.09 -0.12 0.00 0.69 0.00 0.00 54.13 52.65 1smh s LEU 198 Cb -0.13 -0.80 0.01 0.00 -0.43 0.00 0.00 46.19 44.85 1smh s LEU 198 CO -0.07 -0.34 0.28 0.00 -0.29 0.00 0.00 176.35 175.92 1smh n GLY 200 N -0.05 0.94 3.74 0.00 0.00 -1.26 -5.01 105.19 103.56 1smh n GLY 200 Ca -0.16 -2.06 -0.35 0.00 0.00 0.00 0.00 46.02 43.45 1smh n GLY 200 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1smh s THR 201 N -1.08 5.41 0.21 2.61 2.01 -1.26 -5.00 115.64 118.55 1smh s THR 201 Ca 0.00 0.21 -0.18 0.00 0.31 0.00 0.00 61.69 62.03 1smh s THR 201 Cb 0.00 -3.47 0.21 0.00 0.01 0.00 0.00 72.50 69.24 1smh s THR 201 CO 0.00 0.45 1.57 -0.65 -0.69 0.00 0.00 174.62 175.30 1smh h PRO 202 N 6.54 -0.06 -0.05 4.92 0.11 -1.98 0.19 132.00 141.67 1smh h PRO 202 Ca -0.42 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.71 1smh h PRO 202 Cb 1.16 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1smh h PRO 202 CO 0.75 -0.04 0.05 0.93 -0.21 0.00 0.00 178.00 179.47 1smh h GLU 203 N -0.07 0.00 -0.02 1.05 3.07 -1.95 -2.36 114.58 114.30 1smh h GLU 203 Ca 0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.17 1smh h GLU 203 Cb 0.58 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 1smh h GLU 203 CO -0.86 0.00 -0.14 0.66 -1.40 0.00 0.00 179.01 177.27 1smh n TYR 204 N -3.88 0.00 -2.25 4.33 4.02 0.63 -4.79 117.16 115.23 1smh n TYR 204 Ca -0.02 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.46 1smh n TYR 204 Cb 0.14 0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.43 1smh n TYR 204 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1smh s LEU 205 N -1.97 4.41 0.50 7.72 1.43 -0.89 -4.44 118.68 125.44 1smh s LEU 205 Ca 0.22 2.33 -0.20 0.00 -1.03 0.00 0.00 54.13 55.45 1smh s LEU 205 Cb 0.17 -3.60 -0.08 0.00 0.03 0.00 0.00 46.19 42.71 1smh s LEU 205 CO 0.35 -0.52 1.05 0.00 0.23 0.00 0.00 176.35 177.47 1smh s ALA 206 N 0.33 2.84 0.38 4.21 0.00 -1.26 -4.91 121.76 123.35 1smh s ALA 206 Ca 0.57 0.62 0.08 0.00 0.00 0.00 0.00 51.96 53.23 1smh s ALA 206 Cb -0.35 -3.27 0.82 0.00 0.00 0.00 0.00 23.12 20.32 1smh s ALA 206 CO 0.36 -0.42 1.98 -1.00 0.00 0.00 0.00 175.76 176.68 1smh h PRO 207 N 1.40 0.64 0.00 0.00 0.13 -1.92 -1.61 132.00 130.64 1smh h PRO 207 Ca -0.49 -0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 64.56 1smh h PRO 207 Cb 1.23 -0.14 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 1smh h PRO 207 CO 0.59 0.42 -0.20 1.05 -0.23 0.00 0.00 178.00 179.62 1smh h GLU 208 N 0.66 0.00 0.07 0.86 9.09 -1.92 0.51 114.58 123.85 1smh h GLU 208 Ca 0.28 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.68 1smh h GLU 208 Cb 0.26 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.36 1smh h GLU 208 CO -0.09 0.20 -0.03 0.82 0.05 0.00 0.00 179.01 179.96 1smh h ILE 209 N 0.00 1.16 -0.61 -1.06 2.04 -1.64 -2.45 117.51 114.95 1smh h ILE 209 Ca -0.00 -0.86 0.05 0.00 1.00 0.00 0.00 64.86 65.05 1smh h ILE 209 Cb 0.55 1.72 -0.04 0.00 -0.74 0.00 0.00 36.82 38.31 1smh h ILE 209 CO 0.03 0.21 0.40 0.40 0.00 0.00 0.00 178.15 179.19 1smh h ILE 210 N -0.49 1.03 -0.15 -0.67 2.04 -1.18 -2.16 117.51 115.93 1smh h ILE 210 Ca -0.01 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1smh h ILE 210 Cb 0.42 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1smh h ILE 210 CO 0.02 0.12 0.00 0.18 0.00 0.00 0.00 178.15 178.46 1smh n LEU 211 N -4.47 1.00 -3.63 1.44 4.77 0.12 -4.89 117.00 111.33 1smh n LEU 211 Ca 0.08 -0.46 -0.25 0.00 -0.03 0.00 0.00 56.01 55.35 1smh n LEU 211 Cb 0.20 -0.10 0.08 0.00 -2.33 0.00 0.00 43.42 41.27 1smh n LEU 211 CO 0.34 0.23 0.24 -1.20 -1.33 0.00 0.00 177.39 175.67 1smh n SER 212 N -0.04 -6.27 0.04 -1.43 7.64 -0.81 -4.91 113.62 107.84 1smh n SER 212 Ca 0.11 -0.56 -0.14 0.00 1.01 0.00 0.00 58.87 59.28 1smh n SER 212 Cb 0.19 -4.93 -0.14 0.00 -1.01 0.00 0.00 64.21 58.32 1smh n SER 212 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1smh h LYS 213 N -2.66 0.16 0.00 1.43 3.64 -1.66 -3.51 116.57 113.97 1smh h LYS 213 Ca -0.57 -0.28 0.00 0.00 -1.27 0.00 0.00 60.65 58.53 1smh h LYS 213 Cb 1.37 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.29 1smh h LYS 213 CO 0.57 0.96 0.00 0.41 -2.27 0.00 0.00 179.45 179.12 1smh n GLY 214 N 1.64 1.41 3.62 5.01 0.00 -1.26 -5.13 105.19 110.49 1smh n GLY 214 Ca -0.16 -1.43 -0.10 0.00 0.00 0.00 0.00 46.02 44.32 1smh n GLY 214 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1smh s TYR 215 N -0.57 0.47 0.00 1.61 -0.85 -0.53 -4.89 117.35 112.59 1smh s TYR 215 Ca 0.00 -0.86 0.00 0.00 -0.52 0.00 0.00 57.07 55.69 1smh s TYR 215 Cb 0.00 0.26 0.00 0.00 0.38 0.00 0.00 41.96 42.60 1smh s TYR 215 CO 0.00 -1.15 0.00 0.27 -1.52 0.00 0.00 175.55 173.15 1smh n ASN 216 N -0.84 0.05 0.03 -0.18 0.23 -1.26 -1.42 115.26 111.87 1smh n ASN 216 Ca -0.02 0.00 0.08 0.00 -0.53 0.00 0.00 54.58 54.11 1smh n ASN 216 Cb 0.61 0.00 0.36 0.00 -2.08 0.00 0.00 39.78 38.67 1smh n ASN 216 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 1smh n LYS 217 N 0.00 0.04 0.26 -3.83 5.02 -1.26 -2.21 118.16 116.18 1smh n LYS 217 Ca 0.00 0.27 0.17 0.00 -2.02 0.00 0.00 58.31 56.73 1smh n LYS 217 Cb 0.00 -1.57 0.92 0.00 -0.02 0.00 0.00 35.03 34.35 1smh n LYS 217 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1smh h ALA 218 N 2.49 1.56 -0.23 7.82 0.00 -1.96 -1.80 119.26 127.14 1smh h ALA 218 Ca 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1smh h ALA 218 Cb 0.29 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1smh h ALA 218 CO 0.00 -0.18 0.10 -0.39 0.00 0.00 0.00 179.25 178.78 1smh h VAL 219 N 0.00 1.09 -0.20 0.00 -1.51 -1.87 -2.25 116.25 111.51 1smh h VAL 219 Ca 0.04 -0.27 -0.08 0.00 -1.23 0.00 0.00 66.70 65.16 1smh h VAL 219 Cb 0.31 0.81 -0.01 0.00 -2.13 0.00 0.00 31.29 30.27 1smh h VAL 219 CO -0.00 0.11 -0.21 0.44 -1.23 0.00 0.00 177.57 176.67 1smh h ASP 220 N 0.32 0.34 0.39 4.19 3.32 -1.57 -1.76 116.42 121.65 1smh h ASP 220 Ca 0.08 -0.10 -0.22 0.00 0.02 0.00 0.00 57.03 56.81 1smh h ASP 220 Cb 0.06 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 1smh h ASP 220 CO -0.01 0.57 -0.94 -0.50 -1.72 0.00 0.00 179.24 176.64 1smh h TRP 221 N 0.32 0.54 -0.02 4.55 -0.00 -1.52 -0.80 115.95 119.02 1smh h TRP 221 Ca 0.05 -0.30 0.00 0.00 -0.00 0.00 0.00 58.89 58.65 1smh h TRP 221 Cb 0.56 -0.06 -0.00 0.00 -0.00 0.00 0.00 29.16 29.65 1smh h TRP 221 CO 0.01 1.12 0.01 2.35 -0.00 0.00 0.00 178.44 181.93 1smh h TRP 222 N 0.20 0.01 -0.80 0.49 2.91 -1.38 -2.66 115.95 114.72 1smh h TRP 222 Ca -0.07 0.00 0.10 0.00 1.13 0.00 0.00 58.89 60.05 1smh h TRP 222 Cb 1.57 -0.00 -0.06 0.00 -0.51 0.00 0.00 29.16 30.16 1smh h TRP 222 CO 0.05 0.01 0.53 0.00 -1.03 0.00 0.00 178.44 178.00 1smh h ALA 223 N 1.01 1.78 -0.67 2.65 0.00 -1.13 -1.79 119.26 121.11 1smh h ALA 223 Ca 0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1smh h ALA 223 Cb 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 1smh h ALA 223 CO -0.01 0.05 0.33 1.25 0.00 0.00 0.00 179.25 180.87 1smh h LEU 224 N 0.72 0.87 -0.50 0.00 5.85 -0.86 0.35 115.31 121.74 1smh h LEU 224 Ca 0.38 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.99 1smh h LEU 224 Cb 0.49 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1smh h LEU 224 CO -0.15 0.75 0.30 1.23 -0.34 0.00 0.00 178.44 180.23 1smh h GLY 225 N 0.92 0.70 0.99 3.75 0.00 -1.01 0.23 103.07 108.65 1smh h GLY 225 Ca 0.23 -0.22 0.01 0.00 0.00 0.00 0.00 47.33 47.35 1smh h GLY 225 CO -0.03 0.19 0.38 -2.08 0.00 0.00 0.00 176.54 175.00 1smh h VAL 226 N 0.59 1.14 -0.07 4.60 2.07 -0.78 -0.96 116.25 122.84 1smh h VAL 226 Ca 0.20 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 1smh h VAL 226 Cb 0.02 0.30 -0.00 0.00 -1.52 0.00 0.00 31.29 30.08 1smh h VAL 226 CO -0.09 0.14 0.04 0.25 0.02 0.00 0.00 177.57 177.93 1smh h LEU 227 N 0.77 0.09 -0.75 2.57 5.85 -0.38 -0.84 115.31 122.62 1smh h LEU 227 Ca 0.21 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.88 1smh h LEU 227 Cb -0.08 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 1smh h LEU 227 CO -0.05 0.12 0.49 0.40 -0.34 0.00 0.00 178.44 179.06 1smh h ILE 228 N 0.05 1.20 -0.24 4.05 2.04 -0.43 -0.06 117.51 124.12 1smh h ILE 228 Ca 0.03 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.51 1smh h ILE 228 Cb 0.05 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.22 1smh h ILE 228 CO -0.00 0.20 0.13 0.22 0.00 0.00 0.00 178.15 178.69 1smh h TYR 229 N 1.02 0.25 -0.48 1.37 5.03 -0.93 -2.08 116.97 121.14 1smh h TYR 229 Ca 0.27 0.01 -0.12 0.00 2.58 0.00 0.00 58.73 61.48 1smh h TYR 229 Cb -0.10 -0.08 -0.02 0.00 1.55 0.00 0.00 36.73 38.09 1smh h TYR 229 CO -0.02 0.14 -0.16 1.49 -1.32 0.00 0.00 178.16 178.29 1smh h GLU 230 N 0.27 0.92 -0.64 1.82 4.81 -0.65 0.75 114.58 121.88 1smh h GLU 230 Ca 0.09 -0.35 -0.02 0.00 -0.13 0.00 0.00 59.36 58.94 1smh h GLU 230 Cb 0.01 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 1smh h GLU 230 CO -0.05 1.01 0.30 0.52 -0.73 0.00 0.00 179.01 180.06 1smh h MET 231 N 0.81 0.92 0.00 1.92 2.86 -0.84 0.70 114.93 121.30 1smh h MET 231 Ca 0.12 -0.14 -0.15 0.00 -2.06 0.00 0.00 59.70 57.47 1smh h MET 231 Cb 0.71 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 1smh h MET 231 CO 0.05 0.74 -0.99 0.00 1.06 0.00 0.00 176.91 177.77 1smh h ALA 232 N 1.13 0.63 0.01 6.32 0.00 -1.09 0.25 119.26 126.52 1smh h ALA 232 Ca 0.22 -0.71 -0.35 0.00 0.00 0.00 0.00 54.91 54.07 1smh h ALA 232 Cb 0.13 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 1smh h ALA 232 CO -0.03 0.85 -2.18 0.00 0.00 0.00 0.00 179.25 177.89 1smh n ALA 233 N -2.32 1.43 -0.24 0.00 0.00 0.23 -4.54 120.51 115.08 1smh n ALA 233 Ca -0.04 -1.08 0.00 0.00 0.00 0.00 0.00 53.44 52.32 1smh n ALA 233 Cb 0.81 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.87 1smh n ALA 233 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1smh n GLY 234 N 1.80 0.94 3.21 0.00 0.00 0.23 -4.77 105.19 106.61 1smh n GLY 234 Ca -0.31 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.60 1smh n GLY 234 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1smh s TYR 235 N -2.65 -0.03 0.65 1.61 -0.85 -1.23 -4.91 117.35 109.93 1smh s TYR 235 Ca 0.00 -0.11 -0.11 0.00 -0.52 0.00 0.00 57.07 56.33 1smh s TYR 235 Cb 0.00 0.03 -0.02 0.00 0.38 0.00 0.00 41.96 42.35 1smh s TYR 235 CO 0.00 -0.45 1.04 -1.25 -1.52 0.00 0.00 175.55 173.38 1smh s PRO 236 N -2.35 3.31 0.47 -3.49 0.04 -1.26 -3.79 135.00 127.92 1smh s PRO 236 Ca -0.07 0.87 0.25 0.00 0.04 0.00 0.00 61.00 62.09 1smh s PRO 236 Cb -0.02 -2.04 1.10 0.00 0.04 0.00 0.00 34.50 33.58 1smh s PRO 236 CO -0.02 -0.80 1.91 -1.00 0.04 0.00 0.00 177.00 177.12 1smh h PRO 237 N -0.42 0.00 -3.88 0.56 0.13 -1.91 -3.40 132.00 123.08 1smh h PRO 237 Ca -0.44 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.14 1smh h PRO 237 Cb 1.20 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.94 1smh h PRO 237 CO 0.59 0.20 -0.77 -0.06 -0.23 0.00 0.00 178.00 177.73 1smh s PHE 238 N -3.84 1.54 0.04 1.56 0.08 -1.26 -4.79 117.98 111.30 1smh s PHE 238 Ca -0.01 -1.15 -0.12 0.00 0.12 0.00 0.00 56.93 55.78 1smh s PHE 238 Cb 0.11 -1.23 0.01 0.00 -0.57 0.00 0.00 43.02 41.34 1smh s PHE 238 CO 0.62 -0.65 0.25 -0.59 -0.10 0.00 0.00 175.22 174.75 1smh s PHE 239 N 1.69 -0.03 -0.08 0.36 -0.12 -1.26 -4.71 117.98 113.82 1smh s PHE 239 Ca -0.02 -0.14 -0.32 0.00 -0.05 0.00 0.00 56.93 56.40 1smh s PHE 239 Cb -0.17 0.04 0.12 0.00 -0.63 0.00 0.00 43.02 42.38 1smh s PHE 239 CO -0.07 -0.47 1.22 0.00 -0.05 0.00 0.00 175.22 175.85 1smh s ALA 240 N -2.53 -2.11 0.22 1.99 0.00 -1.26 -4.81 121.76 113.26 1smh s ALA 240 Ca -0.05 1.09 0.09 0.00 0.00 0.00 0.00 51.96 53.09 1smh s ALA 240 Cb -0.01 0.16 0.17 0.00 0.00 0.00 0.00 23.12 23.45 1smh s ALA 240 CO -0.03 -0.83 1.51 -0.44 0.00 0.00 0.00 175.76 175.96 1smh h ASP 241 N 2.00 0.00 -3.27 0.00 3.32 -2.02 -3.42 116.42 113.03 1smh h ASP 241 Ca -0.20 0.00 -0.62 0.00 0.02 0.00 0.00 57.03 56.23 1smh h ASP 241 Cb 1.19 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.58 1smh h ASP 241 CO 0.26 0.74 -0.57 -1.10 -1.72 0.00 0.00 179.24 176.85 1smh s GLN 242 N -3.32 3.90 0.38 3.56 -1.52 -1.26 -5.01 119.66 116.39 1smh s GLN 242 Ca -0.01 -0.35 0.16 0.00 -1.95 0.00 0.00 55.36 53.21 1smh s GLN 242 Cb 0.12 -3.17 1.05 0.00 -0.22 0.00 0.00 33.01 30.78 1smh s GLN 242 CO 0.78 0.31 1.76 -1.35 -0.25 0.00 0.00 175.29 176.54 1smh h PRO 243 N 6.56 0.43 -0.72 2.91 0.11 -2.01 -1.38 132.00 137.90 1smh h PRO 243 Ca -0.38 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.68 1smh h PRO 243 Cb 1.17 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 1smh h PRO 243 CO 0.69 0.29 0.36 0.97 -0.21 0.00 0.00 178.00 180.09 1smh h ILE 244 N 0.44 1.23 -0.51 4.15 6.09 -1.96 -0.65 117.51 126.29 1smh h ILE 244 Ca 0.61 -0.61 -0.08 0.00 -1.37 0.00 0.00 64.86 63.40 1smh h ILE 244 Cb 1.43 0.29 -0.02 0.00 0.47 0.00 0.00 36.82 38.99 1smh h ILE 244 CO -0.34 0.26 -0.02 1.56 -3.07 0.00 0.00 178.15 176.55 1smh h GLN 245 N 1.02 0.88 -0.41 2.19 4.20 -1.65 -1.32 115.11 120.02 1smh h GLN 245 Ca 0.25 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1smh h GLN 245 Cb 0.08 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 1smh h GLN 245 CO -0.03 0.88 0.27 0.82 -0.67 0.00 0.00 178.83 180.10 1smh h ILE 246 N 0.81 1.12 -0.68 2.54 2.04 -1.23 -2.85 117.51 119.26 1smh h ILE 246 Ca 0.15 -0.23 -0.07 0.00 1.00 0.00 0.00 64.86 65.71 1smh h ILE 246 Cb 0.51 0.53 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1smh h ILE 246 CO 0.03 0.11 0.15 1.88 0.00 0.00 0.00 178.15 180.32 1smh h TYR 247 N 0.56 1.16 -0.77 1.37 0.05 -0.57 -1.21 116.97 117.55 1smh h TYR 247 Ca 0.15 -0.14 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 1smh h TYR 247 Cb -0.04 -0.33 -0.04 0.00 1.01 0.00 0.00 36.73 37.33 1smh h TYR 247 CO -0.04 0.95 0.44 0.93 -1.05 0.00 0.00 178.16 179.39 1smh h GLU 248 N 1.04 1.06 -0.40 4.88 4.39 -1.22 -1.72 114.58 122.60 1smh h GLU 248 Ca 0.21 -0.11 -0.09 0.00 0.34 0.00 0.00 59.36 59.72 1smh h GLU 248 Cb 0.39 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1smh h GLU 248 CO 0.01 0.76 -0.09 0.87 -1.16 0.00 0.00 179.01 179.40 1smh h LYS 249 N 1.07 0.77 -0.32 2.33 1.57 -1.18 -2.52 116.57 118.29 1smh h LYS 249 Ca 0.28 -0.29 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1smh h LYS 249 Cb -0.01 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 1smh h LYS 249 CO -0.05 0.90 0.19 0.82 -0.57 0.00 0.00 179.45 180.75 1smh h ILE 250 N 0.59 1.05 -0.00 1.86 2.04 -0.89 -2.87 117.51 119.29 1smh h ILE 250 Ca 0.10 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1smh h ILE 250 Cb 0.61 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1smh h ILE 250 CO 0.04 0.07 -0.07 1.33 0.00 0.00 0.00 178.15 179.52 1smh n VAL 251 N -4.90 0.00 0.32 1.67 0.24 -0.68 -3.85 118.33 111.13 1smh n VAL 251 Ca -0.01 -0.00 0.16 0.00 -2.04 0.00 0.00 64.34 62.45 1smh n VAL 251 Cb 0.04 -0.37 0.66 0.00 -1.47 0.00 0.00 33.84 32.71 1smh n VAL 251 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1smh h SER 252 N 0.05 0.00 -0.13 -1.34 4.64 -1.21 -3.47 113.55 112.09 1smh h SER 252 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1smh h SER 252 Cb 0.45 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 1smh h SER 252 CO 0.00 0.00 -0.05 0.61 -0.87 0.00 0.00 176.83 176.52 1smh n GLY 253 N -0.11 0.60 3.23 -0.77 0.00 -1.25 -5.04 105.19 101.85 1smh n GLY 253 Ca 0.01 -0.63 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 1smh n GLY 253 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1smh s LYS 254 N -1.75 2.48 -0.03 1.61 1.02 -1.26 -5.01 119.74 116.81 1smh s LYS 254 Ca 0.00 -0.84 -0.02 0.00 0.02 0.00 0.00 55.97 55.13 1smh s LYS 254 Cb 0.00 -2.07 0.02 0.00 -0.52 0.00 0.00 37.83 35.26 1smh s LYS 254 CO 0.00 0.32 0.06 0.08 -0.92 0.00 0.00 175.35 174.89 1smh s VAL 255 N -0.03 -0.02 0.02 3.17 1.01 -1.26 -4.90 120.40 118.39 1smh s VAL 255 Ca -0.06 0.07 0.04 0.00 0.00 0.00 0.00 61.98 62.03 1smh s VAL 255 Cb -0.14 -0.10 -0.03 0.00 0.00 0.00 0.00 36.38 36.10 1smh s VAL 255 CO 0.04 0.03 -0.09 -0.13 0.00 0.00 0.00 175.10 174.95 1smh s ARG 256 N 0.41 2.43 -0.00 2.72 0.52 -1.26 -5.12 118.95 118.65 1smh s ARG 256 Ca -0.03 -0.79 0.03 0.00 -0.52 0.00 0.00 55.73 54.42 1smh s ARG 256 Cb -0.05 -2.42 -0.03 0.00 0.52 0.00 0.00 34.95 32.97 1smh s ARG 256 CO -0.01 0.58 -0.08 -0.06 0.02 0.00 0.00 175.30 175.75 1smh s PHE 257 N -0.99 2.86 0.65 -0.53 0.08 -1.26 -5.00 117.98 113.79 1smh s PHE 257 Ca 0.17 -0.06 -0.18 0.00 0.12 0.00 0.00 56.93 56.99 1smh s PHE 257 Cb -0.11 -1.61 -0.02 0.00 -0.57 0.00 0.00 43.02 40.71 1smh s PHE 257 CO 0.07 0.35 1.14 -2.30 -0.10 0.00 0.00 175.22 174.38 1smh n PRO 258 N 1.68 0.92 0.25 0.24 -0.02 -1.26 -4.91 135.00 131.89 1smh n PRO 258 Ca -0.16 0.37 0.12 0.00 -2.02 0.00 0.00 63.50 61.81 1smh n PRO 258 Cb 0.53 -2.37 0.59 0.00 -0.02 0.00 0.00 33.50 32.23 1smh n PRO 258 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1smh h SER 259 N 0.34 0.00 0.84 2.55 4.64 -2.03 -2.48 113.55 117.41 1smh h SER 259 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1smh h SER 259 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 1smh h SER 259 CO 0.51 0.15 0.00 0.00 -0.87 0.00 0.00 176.83 176.62 1smh n HIS 260 N -3.39 0.00 -2.00 4.77 1.44 -1.26 -4.83 115.22 109.94 1smh n HIS 260 Ca -0.00 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.29 1smh n HIS 260 Cb 0.35 -0.43 -0.03 0.00 0.12 0.00 0.00 29.99 30.00 1smh n HIS 260 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1smh s PHE 261 N -2.86 3.09 0.63 -1.40 0.40 -0.94 -4.98 117.98 111.92 1smh s PHE 261 Ca 0.18 0.79 -0.18 0.00 -0.60 0.00 0.00 56.93 57.12 1smh s PHE 261 Cb 0.19 -3.85 -0.02 0.00 0.51 0.00 0.00 43.02 39.85 1smh s PHE 261 CO 0.49 -3.02 1.24 -1.13 0.70 0.00 0.00 175.22 173.50 1smh n SER 262 N 3.54 1.90 -0.25 1.36 3.41 -1.26 -4.81 113.62 117.50 1smh n SER 262 Ca 0.12 0.84 0.05 0.00 -0.26 0.00 0.00 58.87 59.62 1smh n SER 262 Cb 0.40 -1.53 0.18 0.00 -0.26 0.00 0.00 64.21 63.00 1smh n SER 262 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1smh h SER 263 N 0.61 0.25 -0.74 4.04 0.02 -1.97 -0.74 113.55 115.02 1smh h SER 263 Ca -0.50 0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 60.54 1smh h SER 263 Cb 1.34 0.10 -0.03 0.00 0.14 0.00 0.00 62.40 63.95 1smh h SER 263 CO 0.53 0.09 0.38 0.44 -1.14 0.00 0.00 176.83 177.13 1smh h ASP 264 N 0.42 0.94 -0.24 3.07 3.32 -1.98 -0.56 116.42 121.38 1smh h ASP 264 Ca 0.41 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.33 1smh h ASP 264 Cb 0.63 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1smh h ASP 264 CO -0.41 0.78 0.08 0.25 -1.72 0.00 0.00 179.24 178.21 1smh h LEU 265 N 1.02 0.35 -1.00 1.55 5.85 -1.78 -1.68 115.31 119.63 1smh h LEU 265 Ca 0.26 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.79 1smh h LEU 265 Cb 0.07 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 40.96 1smh h LEU 265 CO -0.04 0.46 0.66 0.11 -0.34 0.00 0.00 178.44 179.30 1smh h LYS 266 N 0.23 1.29 -0.44 1.25 1.57 -0.82 -0.80 116.57 118.85 1smh h LYS 266 Ca 0.08 -0.08 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1smh h LYS 266 Cb 0.24 -0.29 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1smh h LYS 266 CO -0.00 0.86 -0.07 0.22 -0.57 0.00 0.00 179.45 179.88 1smh h ASP 267 N 1.33 0.82 -0.33 0.86 3.58 -0.95 -0.98 116.42 120.74 1smh h ASP 267 Ca 0.37 -0.35 0.03 0.00 0.42 0.00 0.00 57.03 57.50 1smh h ASP 267 Cb -0.12 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 40.68 1smh h ASP 267 CO -0.09 0.97 0.15 0.25 -2.88 0.00 0.00 179.24 177.64 1smh h LEU 268 N 0.65 0.21 -0.75 2.28 6.46 -0.79 -2.78 115.31 120.59 1smh h LEU 268 Ca 0.12 0.02 -0.11 0.00 -0.12 0.00 0.00 57.88 57.78 1smh h LEU 268 Cb 0.59 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.49 1smh h LEU 268 CO 0.04 0.16 -0.25 -0.07 -0.62 0.00 0.00 178.44 177.70 1smh h LEU 269 N 0.32 0.69 -1.40 2.25 3.38 -0.92 -1.04 115.31 118.59 1smh h LEU 269 Ca 0.14 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1smh h LEU 269 Cb 0.07 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 1smh h LEU 269 CO -0.11 0.92 0.04 0.03 0.09 0.00 0.00 178.44 179.41 1smh h ARG 270 N 0.59 0.44 0.04 1.13 3.08 -1.02 0.14 114.38 118.78 1smh h ARG 270 Ca 0.08 -0.07 -0.23 0.00 0.07 0.00 0.00 59.98 59.83 1smh h ARG 270 Cb 0.73 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 1smh h ARG 270 CO 0.06 0.43 -1.07 -0.91 -1.07 0.00 0.00 179.97 177.41 1smh h ASN 271 N 0.43 0.15 0.01 7.04 4.21 -1.15 -3.31 115.58 122.96 1smh h ASN 271 Ca 0.10 -0.16 -0.25 0.00 1.21 0.00 0.00 56.30 57.20 1smh h ASN 271 Cb 0.22 -0.05 0.02 0.00 -1.12 0.00 0.00 38.32 37.39 1smh h ASN 271 CO 0.00 1.11 -0.95 -0.07 -1.29 0.00 0.00 177.43 176.23 1smh h LEU 272 N 0.03 0.87 -4.36 1.61 3.38 -0.91 -1.53 115.31 114.39 1smh h LEU 272 Ca -0.05 -0.66 -0.57 0.00 0.09 0.00 0.00 57.88 56.69 1smh h LEU 272 Cb 1.82 -0.26 -0.21 0.00 0.09 0.00 0.00 40.66 42.09 1smh h LEU 272 CO 0.15 1.46 0.66 0.18 0.09 0.00 0.00 178.44 180.98 1smh n LEU 273 N -3.86 6.98 -4.64 1.67 4.77 0.45 -4.18 117.00 118.18 1smh n LEU 273 Ca -0.09 -4.17 -0.39 0.00 -0.03 0.00 0.00 56.01 51.33 1smh n LEU 273 Cb 0.84 -1.11 -0.08 0.00 -2.33 0.00 0.00 43.42 40.73 1smh n LEU 273 CO 0.54 1.60 0.09 -1.58 -1.33 0.00 0.00 177.39 176.71 1smh s GLN 274 N -2.74 4.11 0.34 3.23 2.00 -1.24 -4.91 119.66 120.44 1smh s GLN 274 Ca 0.53 0.14 0.05 0.00 -2.00 0.00 0.00 55.36 54.08 1smh s GLN 274 Cb 0.39 -3.59 0.62 0.00 0.80 0.00 0.00 33.01 31.24 1smh s GLN 274 CO -0.20 -0.14 1.87 0.28 -0.50 0.00 0.00 175.29 176.60 1smh h VAL 275 N 5.18 1.20 -3.69 1.34 2.07 -1.92 -3.41 116.25 117.02 1smh h VAL 275 Ca -0.34 -0.84 -0.56 0.00 0.82 0.00 0.00 66.70 65.78 1smh h VAL 275 Cb 1.16 1.05 -0.07 0.00 -1.52 0.00 0.00 31.29 31.91 1smh h VAL 275 CO 0.69 0.28 0.89 -0.62 0.02 0.00 0.00 177.57 178.83 1smh s ASP 276 N -6.78 6.64 0.46 0.57 -1.08 -1.26 -4.86 116.67 110.36 1smh s ASP 276 Ca -0.07 0.47 0.17 0.00 -0.52 0.00 0.00 52.55 52.60 1smh s ASP 276 Cb 0.15 -2.54 1.13 0.00 -1.46 0.00 0.00 42.92 40.20 1smh s ASP 276 CO 0.76 -1.22 1.98 -0.07 0.52 0.00 0.00 175.17 177.14 1smh h LEU 277 N 11.10 0.27 -0.17 -1.34 3.38 -1.97 -0.99 115.31 125.59 1smh h LEU 277 Ca -0.23 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.75 1smh h LEU 277 Cb 1.06 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1smh h LEU 277 CO 1.11 0.16 0.00 0.35 0.09 0.00 0.00 178.44 180.15 1smh n THR 278 N -4.45 0.02 -0.14 0.22 -2.24 -1.26 -2.94 114.28 103.48 1smh n THR 278 Ca 0.10 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1smh n THR 278 Cb 0.45 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.42 1smh n THR 278 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1smh n LYS 279 N -0.71 1.76 -2.95 -0.78 5.02 -0.41 -4.95 118.16 115.15 1smh n LYS 279 Ca 0.19 -0.22 -0.41 0.00 -2.02 0.00 0.00 58.31 55.85 1smh n LYS 279 Cb 0.13 -0.67 -0.04 0.00 -0.02 0.00 0.00 35.03 34.42 1smh n LYS 279 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 1smh s ARG 280 N -0.31 4.40 0.46 1.97 3.52 -1.02 -4.94 118.95 123.03 1smh s ARG 280 Ca 0.00 1.00 -0.24 0.00 -0.13 0.00 0.00 55.73 56.36 1smh s ARG 280 Cb 0.00 -3.49 -0.09 0.00 -1.56 0.00 0.00 34.95 29.81 1smh s ARG 280 CO 0.00 -0.09 1.26 1.19 -0.81 0.00 0.00 175.30 176.85 1smh n PHE 281 N 4.31 2.04 0.00 5.12 3.01 -0.57 -1.24 117.46 130.12 1smh n PHE 281 Ca 0.02 0.48 0.00 0.00 1.01 0.00 0.00 57.45 58.96 1smh n PHE 281 Cb 0.50 -2.35 0.00 0.00 -0.01 0.00 0.00 39.48 37.62 1smh n PHE 281 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1smh n GLY 282 N 0.85 2.93 0.44 1.37 0.00 -1.20 -4.80 105.19 104.78 1smh n GLY 282 Ca 0.08 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.14 1smh n GLY 282 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1smh n ASN 283 N 0.25 2.54 -3.79 1.61 5.15 -0.37 -4.19 115.26 116.47 1smh n ASN 283 Ca 0.00 -1.92 -0.16 0.00 -0.60 0.00 0.00 54.58 51.90 1smh n ASN 283 Cb 0.00 -0.15 0.08 0.00 -0.53 0.00 0.00 39.78 39.18 1smh n ASN 283 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1smh n LEU 284 N 0.25 0.00 0.13 1.20 4.77 -1.23 -4.90 117.00 117.23 1smh n LEU 284 Ca 0.08 -1.48 0.02 0.00 -0.03 0.00 0.00 56.01 54.60 1smh n LEU 284 Cb 0.36 -0.44 0.38 0.00 -2.33 0.00 0.00 43.42 41.39 1smh n LEU 284 CO 0.06 -0.82 0.84 0.07 -1.33 0.00 0.00 177.39 176.20 1smh h LYS 285 N 0.00 0.19 -0.00 3.23 -0.00 -1.97 0.21 116.57 118.23 1smh h LYS 285 Ca -0.23 -0.05 0.00 0.00 -0.00 0.00 0.00 60.65 60.37 1smh h LYS 285 Cb 0.85 -0.02 0.00 0.00 -0.00 0.00 0.00 32.23 33.06 1smh h LYS 285 CO 0.25 0.39 -0.03 0.09 -0.00 0.00 0.00 179.45 180.14 1smh n ASN 286 N -4.23 0.25 0.00 7.07 4.13 -1.26 -4.97 115.26 116.25 1smh n ASN 286 Ca -0.01 -0.64 0.00 0.00 1.68 0.00 0.00 54.58 55.61 1smh n ASN 286 Cb 0.31 -0.11 0.00 0.00 -1.54 0.00 0.00 39.78 38.44 1smh n ASN 286 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1smh n GLY 287 N 1.19 3.72 0.23 7.41 0.00 0.73 -1.82 105.19 116.65 1smh n GLY 287 Ca 0.18 0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.36 1smh n GLY 287 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1smh h VAL 288 N 0.00 0.69 0.00 1.61 3.04 -1.88 -2.95 116.25 116.75 1smh h VAL 288 Ca 0.00 -0.99 -0.03 0.00 -1.01 0.00 0.00 66.70 64.67 1smh h VAL 288 Cb 0.00 1.63 -0.00 0.00 -2.01 0.00 0.00 31.29 30.91 1smh h VAL 288 CO 0.00 0.22 -0.12 0.78 -1.01 0.00 0.00 177.57 177.44 1smh h ASN 289 N 0.00 0.00 -0.03 3.17 -0.26 -1.75 -0.99 115.58 115.71 1smh h ASN 289 Ca -0.00 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 55.69 1smh h ASN 289 Cb 0.61 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.86 1smh h ASN 289 CO 0.03 0.12 -0.09 0.44 -1.06 0.00 0.00 177.43 176.87 1smh h ASP 290 N 0.00 0.27 0.00 5.81 3.32 -1.66 -0.87 116.42 123.30 1smh h ASP 290 Ca -0.00 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.97 1smh h ASP 290 Cb 0.43 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1smh h ASP 290 CO 0.02 0.40 -0.09 0.40 -1.72 0.00 0.00 179.24 178.24 1smh h ILE 291 N 0.28 1.63 -0.10 0.35 2.04 -1.41 -3.04 117.51 117.25 1smh h ILE 291 Ca 0.06 -1.96 -0.01 0.00 1.00 0.00 0.00 64.86 63.94 1smh h ILE 291 Cb 0.34 2.93 -0.01 0.00 -0.74 0.00 0.00 36.82 39.35 1smh h ILE 291 CO 0.02 0.52 0.01 0.11 0.00 0.00 0.00 178.15 178.81 1smh h LYS 292 N -0.72 0.14 -0.04 2.37 1.57 -1.11 -2.42 116.57 116.36 1smh h LYS 292 Ca -0.01 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1smh h LYS 292 Cb 0.90 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1smh h LYS 292 CO 0.02 0.15 0.00 0.09 -0.57 0.00 0.00 179.45 179.13 1smh n ASN 293 N -4.46 2.51 -4.77 0.86 3.02 -0.35 -4.82 115.26 107.25 1smh n ASN 293 Ca -0.01 -1.83 -0.40 0.00 -0.03 0.00 0.00 54.58 52.31 1smh n ASN 293 Cb 0.13 -0.01 -0.01 0.00 -0.61 0.00 0.00 39.78 39.28 1smh n ASN 293 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1smh s HIS 294 N -1.97 2.83 0.43 3.10 2.46 -0.91 -4.92 115.29 116.31 1smh s HIS 294 Ca 0.32 1.39 0.21 0.00 0.47 0.00 0.00 55.06 57.45 1smh s HIS 294 Cb 0.20 -3.70 1.18 0.00 -0.13 0.00 0.00 32.58 30.13 1smh s HIS 294 CO 0.31 -2.14 1.82 0.87 -2.47 0.00 0.00 174.74 173.14 1smh h LYS 295 N 2.79 0.31 -0.18 2.88 1.57 -1.92 -0.28 116.57 121.74 1smh h LYS 295 Ca -0.50 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.32 1smh h LYS 295 Cb 1.24 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.48 1smh h LYS 295 CO 0.63 0.21 0.13 2.35 -0.57 0.00 0.00 179.45 182.20 1smh h TRP 296 N 0.32 0.00 -0.53 -1.35 7.01 -1.91 -0.70 115.95 118.78 1smh h TRP 296 Ca 0.52 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.52 1smh h TRP 296 Cb 1.46 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.52 1smh h TRP 296 CO -0.00 0.00 0.00 1.19 -2.79 0.00 0.00 178.44 176.84 1smh n PHE 297 N -4.47 1.05 -0.28 2.65 3.72 -0.12 -4.60 117.46 115.42 1smh n PHE 297 Ca 0.01 -0.44 0.10 0.00 -0.05 0.00 0.00 57.45 57.07 1smh n PHE 297 Cb 0.26 -0.14 0.34 0.00 -0.94 0.00 0.00 39.48 39.01 1smh n PHE 297 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1smh h ALA 298 N 3.88 1.75 -0.00 4.37 0.00 -1.14 -0.96 119.26 127.16 1smh h ALA 298 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1smh h ALA 298 Cb 1.06 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1smh h ALA 298 CO 0.13 0.03 -0.01 0.25 0.00 0.00 0.00 179.25 179.65 1smh n THR 299 N -4.56 0.00 -3.12 0.00 -2.24 -1.26 -4.84 114.28 98.25 1smh n THR 299 Ca 0.17 -0.08 -0.41 0.00 -2.27 0.00 0.00 64.05 61.46 1smh n THR 299 Cb 0.41 -0.16 -0.07 0.00 -2.10 0.00 0.00 70.33 68.41 1smh n THR 299 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1smh s THR 300 N -2.03 4.97 -0.59 4.28 2.01 -0.37 -5.00 115.64 118.91 1smh s THR 300 Ca 0.44 0.97 -0.21 0.00 0.31 0.00 0.00 61.69 63.20 1smh s THR 300 Cb 0.22 -3.96 0.08 0.00 0.01 0.00 0.00 72.50 68.85 1smh s THR 300 CO 0.37 -0.05 0.79 -0.62 -0.69 0.00 0.00 174.62 174.42 1smh s ASP 301 N 1.56 6.20 0.17 3.53 -1.08 -1.26 -4.91 116.67 120.88 1smh s ASP 301 Ca 0.25 -1.09 -0.11 0.00 -0.52 0.00 0.00 52.55 51.08 1smh s ASP 301 Cb -0.15 -2.35 0.06 0.00 -1.46 0.00 0.00 42.92 39.02 1smh s ASP 301 CO 0.10 -1.19 1.68 -0.50 0.52 0.00 0.00 175.17 175.78 1smh h TRP 302 N 9.28 0.98 -0.55 -5.34 4.06 -1.96 0.56 115.95 122.98 1smh h TRP 302 Ca -0.29 -0.12 -0.11 0.00 2.06 0.00 0.00 58.89 60.44 1smh h TRP 302 Cb 1.08 -0.28 -0.02 0.00 -1.00 0.00 0.00 29.16 28.95 1smh h TRP 302 CO 0.87 0.84 -0.09 0.82 -3.56 0.00 0.00 178.44 177.32 1smh h ILE 303 N 0.84 1.27 -0.10 1.49 1.08 -1.99 -0.98 117.51 119.11 1smh h ILE 303 Ca 0.18 -1.24 -0.08 0.00 -0.39 0.00 0.00 64.86 63.33 1smh h ILE 303 Cb 0.35 0.93 -0.01 0.00 -3.07 0.00 0.00 36.82 35.02 1smh h ILE 303 CO 0.00 0.44 -0.32 0.00 -0.69 0.00 0.00 178.15 177.59 1smh h ALA 304 N 0.97 1.28 0.31 1.87 0.00 -1.83 -0.19 119.26 121.68 1smh h ALA 304 Ca 0.15 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 1smh h ALA 304 Cb 0.65 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1smh h ALA 304 CO 0.04 0.49 -0.15 0.82 0.00 0.00 0.00 179.25 180.46 1smh h ILE 305 N 0.17 0.72 -0.73 0.00 1.08 -0.44 -0.67 117.51 117.64 1smh h ILE 305 Ca 0.02 -0.33 0.15 0.00 -0.39 0.00 0.00 64.86 64.31 1smh h ILE 305 Cb 0.65 0.90 -0.10 0.00 -3.07 0.00 0.00 36.82 35.20 1smh h ILE 305 CO 0.05 0.07 0.23 0.22 -0.69 0.00 0.00 178.15 178.03 1smh h TYR 306 N -0.60 0.39 0.00 1.37 3.20 -0.83 -0.36 116.97 120.14 1smh h TYR 306 Ca -0.04 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1smh h TYR 306 Cb 0.43 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.65 1smh h TYR 306 CO -0.01 -0.01 0.00 1.04 -1.64 0.00 0.00 178.16 177.54 1smh n GLN 307 N -5.08 0.36 -3.23 1.82 6.02 -0.12 -4.91 117.38 112.24 1smh n GLN 307 Ca 0.14 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.97 1smh n GLN 307 Cb 0.43 -1.50 0.06 0.00 1.02 0.00 0.00 30.24 30.25 1smh n GLN 307 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1smh n ARG 308 N -1.32 -5.53 0.00 -1.09 1.74 -0.15 -4.92 116.66 105.39 1smh n ARG 308 Ca 0.13 0.60 0.08 0.00 -0.77 0.00 0.00 57.85 57.89 1smh n ARG 308 Cb 0.26 -4.94 0.05 0.00 -1.02 0.00 0.00 32.46 26.81 1smh n ARG 308 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1smh n LYS 309 N -3.64 1.40 -3.05 5.56 5.02 -0.43 -4.94 118.16 118.09 1smh n LYS 309 Ca -0.04 -1.31 -0.39 0.00 -2.02 0.00 0.00 58.31 54.54 1smh n LYS 309 Cb 0.56 -1.30 -0.06 0.00 -0.02 0.00 0.00 35.03 34.21 1smh n LYS 309 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1smh s VAL 310 N -1.50 4.51 -0.07 -0.18 1.01 -1.24 -5.03 120.40 117.91 1smh s VAL 310 Ca 0.18 1.58 -0.30 0.00 0.00 0.00 0.00 61.98 63.44 1smh s VAL 310 Cb 0.13 -4.08 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 1smh s VAL 310 CO 0.25 0.50 1.29 -0.70 0.00 0.00 0.00 175.10 176.45 1smh s GLU 311 N -0.95 4.29 0.05 2.72 2.12 -1.26 -4.97 118.70 120.71 1smh s GLU 311 Ca 0.35 1.77 -0.31 0.00 0.36 0.00 0.00 54.97 57.14 1smh s GLU 311 Cb -0.22 -3.64 -0.07 0.00 0.26 0.00 0.00 34.13 30.46 1smh s GLU 311 CO 0.24 -0.57 1.51 0.00 -0.54 0.00 0.00 175.26 175.90 1smh s ALA 312 N 2.69 3.64 -0.68 6.30 0.00 -1.26 -4.87 121.76 127.57 1smh s ALA 312 Ca 0.58 1.07 0.07 0.00 0.00 0.00 0.00 51.96 53.69 1smh s ALA 312 Cb -0.26 -3.63 0.40 0.00 0.00 0.00 0.00 23.12 19.63 1smh s ALA 312 CO 0.21 -0.93 1.21 -2.30 0.00 0.00 0.00 175.76 173.95 1smh n PRO 313 N 5.16 0.05 -3.65 0.00 -0.02 -1.26 -4.60 135.00 130.67 1smh n PRO 313 Ca 0.14 0.53 -0.13 0.00 -2.02 0.00 0.00 63.50 62.02 1smh n PRO 313 Cb 0.42 -1.68 -0.08 0.00 -0.02 0.00 0.00 33.50 32.14 1smh n PRO 313 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1smh s PHE 314 N -3.16 -0.73 -0.04 6.00 5.36 -1.26 -5.01 117.98 119.14 1smh s PHE 314 Ca -0.01 1.75 -0.02 0.00 -0.96 0.00 0.00 56.93 57.69 1smh s PHE 314 Cb 0.02 0.27 0.03 0.00 -0.34 0.00 0.00 43.02 43.00 1smh s PHE 314 CO 0.07 -0.35 0.06 0.42 -1.46 0.00 0.00 175.22 173.95 1smh s ILE 315 N 0.44 -0.10 0.66 3.12 1.01 -1.26 -4.66 121.20 120.41 1smh s ILE 315 Ca -0.01 0.41 -0.18 0.00 0.00 0.00 0.00 60.65 60.88 1smh s ILE 315 Cb -0.05 -0.16 -0.00 0.00 0.01 0.00 0.00 42.46 42.26 1smh s ILE 315 CO -0.01 0.18 1.28 -2.65 0.00 0.00 0.00 174.94 173.75 1smh n PRO 316 N 5.24 1.04 -3.66 2.79 -0.02 -1.26 -5.03 135.00 134.11 1smh n PRO 316 Ca -0.04 0.42 -0.30 0.00 -2.02 0.00 0.00 63.50 61.55 1smh n PRO 316 Cb 0.50 -2.52 -0.04 0.00 -0.02 0.00 0.00 33.50 31.42 1smh n PRO 316 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1smh s LYS 317 N -3.42 3.58 -0.09 -0.52 -0.14 -1.26 -4.96 119.74 112.92 1smh s LYS 317 Ca 0.82 -0.18 -0.15 0.00 -1.36 0.00 0.00 55.97 55.10 1smh s LYS 317 Cb -0.37 -2.83 0.03 0.00 -1.68 0.00 0.00 37.83 32.98 1smh s LYS 317 CO 0.41 0.43 0.37 -0.59 -0.76 0.00 0.00 175.35 175.20 1smh s PHE 318 N -1.76 -0.34 -0.75 3.18 -0.71 -1.26 -4.83 117.98 111.51 1smh s PHE 318 Ca 0.40 0.76 -0.01 0.00 -1.04 0.00 0.00 56.93 57.04 1smh s PHE 318 Cb -0.12 0.14 0.19 0.00 -1.21 0.00 0.00 43.02 42.02 1smh s PHE 318 CO 0.27 -0.29 0.58 0.15 -1.34 0.00 0.00 175.22 174.60 1smh s LYS 319 N -0.40 2.84 0.00 1.99 -0.14 -1.26 -5.05 119.74 117.71 1smh s LYS 319 Ca -0.05 -2.95 0.00 0.00 -1.36 0.00 0.00 55.97 51.60 1smh s LYS 319 Cb -0.03 -3.78 0.00 0.00 -1.68 0.00 0.00 37.83 32.34 1smh s LYS 319 CO 0.02 -1.22 0.00 0.41 -0.76 0.00 0.00 175.35 173.80 1smh n GLY 320 N 2.79 -1.65 3.77 -3.33 0.00 -1.26 -4.62 105.19 100.89 1smh n GLY 320 Ca 0.15 -1.54 -0.37 0.00 0.00 0.00 0.00 46.02 44.26 1smh n GLY 320 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1smh s PRO 321 N -1.87 3.67 0.00 1.61 0.04 -1.26 -3.17 135.00 134.02 1smh s PRO 321 Ca 0.00 1.77 0.00 0.00 0.04 0.00 0.00 61.00 62.81 1smh s PRO 321 Cb 0.00 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 32.20 1smh s PRO 321 CO 0.00 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 176.83 1smh n GLY 322 N 0.42 0.39 3.75 0.56 0.00 -1.26 -5.02 105.19 104.04 1smh n GLY 322 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1smh n GLY 322 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1smh s ASP 323 N -2.02 7.43 -0.12 1.61 2.15 -1.19 -4.98 116.67 119.55 1smh s ASP 323 Ca 0.00 2.11 0.14 0.00 0.43 0.00 0.00 52.55 55.23 1smh s ASP 323 Cb 0.00 -2.62 0.31 0.00 -0.30 0.00 0.00 42.92 40.32 1smh s ASP 323 CO 0.00 -0.03 1.16 0.35 -0.17 0.00 0.00 175.17 176.48 1smh n THR 324 N 1.49 1.47 0.29 1.71 -2.24 -1.26 -4.81 114.28 110.92 1smh n THR 324 Ca -0.01 -2.12 0.17 0.00 -2.27 0.00 0.00 64.05 59.82 1smh n THR 324 Cb 0.46 0.04 0.82 0.00 -2.10 0.00 0.00 70.33 69.55 1smh n THR 324 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1smh h SER 325 N 0.49 0.00 -0.19 3.42 4.64 -1.93 -1.64 113.55 118.35 1smh h SER 325 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1smh h SER 325 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1smh h SER 325 CO 0.01 0.00 0.00 0.59 -0.87 0.00 0.00 176.83 176.56 1smh n ASN 326 N -2.71 1.27 -4.33 4.97 3.02 -1.26 -4.84 115.26 111.38 1smh n ASN 326 Ca -0.01 -1.81 -0.28 0.00 -0.03 0.00 0.00 54.58 52.45 1smh n ASN 326 Cb 0.13 -0.12 -0.14 0.00 -0.61 0.00 0.00 39.78 39.04 1smh n ASN 326 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1smh s PHE 327 N -1.76 2.11 0.84 3.10 0.40 -0.62 -4.34 117.98 117.72 1smh s PHE 327 Ca 0.24 -0.40 -0.11 0.00 -0.60 0.00 0.00 56.93 56.06 1smh s PHE 327 Cb 0.12 -1.21 0.09 0.00 0.51 0.00 0.00 43.02 42.54 1smh s PHE 327 CO 0.18 0.20 1.09 -0.51 0.70 0.00 0.00 175.22 176.88 1smh s ASP 328 N -1.60 4.03 -0.14 1.36 1.01 -1.26 -5.04 116.67 115.03 1smh s ASP 328 Ca 0.11 1.45 -0.16 0.00 0.71 0.00 0.00 52.55 54.66 1smh s ASP 328 Cb -0.10 -2.16 -0.04 0.00 1.01 0.00 0.00 42.92 41.62 1smh s ASP 328 CO 0.04 -2.28 0.40 -1.81 0.21 0.00 0.00 175.17 171.72 1smh s ASP 329 N -3.62 6.58 0.18 0.27 1.01 -1.26 -4.82 116.67 115.01 1smh s ASP 329 Ca 0.62 0.68 0.10 0.00 0.71 0.00 0.00 52.55 54.67 1smh s ASP 329 Cb -0.16 -2.24 -0.04 0.00 1.01 0.00 0.00 42.92 41.48 1smh s ASP 329 CO 0.56 0.04 -0.19 -0.31 0.21 0.00 0.00 175.17 175.47 1smh s TYR 330 N 0.56 2.42 0.34 4.23 1.51 -1.26 -5.12 117.35 120.03 1smh s TYR 330 Ca 0.22 -0.31 -0.29 0.00 -1.01 0.00 0.00 57.07 55.68 1smh s TYR 330 Cb -0.14 -1.20 -0.12 0.00 -0.11 0.00 0.00 41.96 40.39 1smh s TYR 330 CO 0.08 0.49 1.47 0.39 -1.11 0.00 0.00 175.55 176.86 1smh n GLU 331 N 0.27 2.55 -3.93 -0.62 1.02 -1.26 -4.81 120.64 113.86 1smh n GLU 331 Ca -0.12 0.90 -0.23 0.00 -0.02 0.00 0.00 57.16 57.68 1smh n GLU 331 Cb 0.55 -2.61 -0.02 0.00 -0.02 0.00 0.00 31.44 29.34 1smh n GLU 331 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1smh s GLU 332 N -1.62 3.44 -0.12 3.49 0.41 -1.26 -4.94 118.70 118.11 1smh s GLU 332 Ca 0.57 -0.67 -0.06 0.00 -0.41 0.00 0.00 54.97 54.40 1smh s GLU 332 Cb -0.51 -2.91 0.05 0.00 -1.78 0.00 0.00 34.13 28.99 1smh s GLU 332 CO 0.59 0.45 0.28 -2.00 -0.49 0.00 0.00 175.26 174.09 1smh s GLU 333 N -3.71 0.23 0.40 1.61 2.12 -1.26 -5.14 118.70 112.94 1smh s GLU 333 Ca 0.35 0.62 -0.25 0.00 0.36 0.00 0.00 54.97 56.04 1smh s GLU 333 Cb -0.10 -0.08 -0.08 0.00 0.26 0.00 0.00 34.13 34.12 1smh s GLU 333 CO 0.29 -0.18 1.19 -2.00 -0.54 0.00 0.00 175.26 174.02 1smh s GLU 334 N 1.48 4.06 -0.47 4.30 2.56 -1.26 -4.97 118.70 124.39 1smh s GLU 334 Ca -0.08 1.88 -0.25 0.00 0.00 0.00 0.00 54.97 56.53 1smh s GLU 334 Cb -0.10 -2.70 0.03 0.00 2.00 0.00 0.00 34.13 33.36 1smh s GLU 334 CO -0.09 -0.33 0.89 0.42 -0.56 0.00 0.00 175.26 175.59 1smh s ILE 335 N -1.39 4.50 -0.22 -3.70 -1.09 -1.26 -5.03 121.20 113.01 1smh s ILE 335 Ca 0.57 0.59 -0.16 0.00 -2.23 0.00 0.00 60.65 59.42 1smh s ILE 335 Cb -0.32 -4.43 -0.04 0.00 -1.58 0.00 0.00 42.46 36.10 1smh s ILE 335 CO 0.40 -0.86 0.41 -0.13 -1.23 0.00 0.00 174.94 173.53 1smh s ARG 336 N 3.68 4.13 0.30 2.79 0.52 -1.26 -5.24 118.95 123.86 1smh s ARG 336 Ca 0.34 0.19 0.04 0.00 -0.52 0.00 0.00 55.73 55.78 1smh s ARG 336 Cb -0.11 -3.58 0.04 0.00 0.52 0.00 0.00 34.95 31.82 1smh s ARG 336 CO 0.24 -0.13 0.34 0.28 0.02 0.00 0.00 175.30 176.05 1smh n VAL 337 N 4.62 0.00 -0.01 3.52 0.31 -1.26 -4.93 118.33 120.58 1smh n VAL 337 Ca -0.08 -1.07 0.01 0.00 -0.01 0.00 0.00 64.34 63.19 1smh n VAL 337 Cb 0.51 -0.55 -0.06 0.00 -0.91 0.00 0.00 33.84 32.83 1smh n VAL 337 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 1smh n ILE 339 N -1.48 0.16 -4.11 2.52 -5.35 -1.26 -4.99 119.36 104.84 1smh n ILE 339 Ca 0.05 -0.22 -0.34 0.00 -0.27 0.00 0.00 62.75 61.97 1smh n ILE 339 Cb 0.32 -0.04 -0.10 0.00 -1.74 0.00 0.00 39.64 38.08 1smh n ILE 339 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 1smh s ASN 340 N -3.21 5.47 0.15 7.28 0.01 -1.26 -5.08 114.94 118.30 1smh s ASN 340 Ca -0.03 0.07 -0.31 0.00 -0.71 0.00 0.00 52.86 51.87 1smh s ASN 340 Cb 0.04 -1.88 -0.10 0.00 0.41 0.00 0.00 41.25 39.71 1smh s ASN 340 CO 0.31 0.21 1.69 -0.70 -1.51 0.00 0.00 177.10 177.10 1smh s GLU 341 N 0.16 4.16 -0.10 -0.60 2.12 -1.26 -4.71 118.70 118.48 1smh s GLU 341 Ca 0.03 2.49 -0.02 0.00 0.36 0.00 0.00 54.97 57.84 1smh s GLU 341 Cb -0.13 -3.30 -0.03 0.00 0.26 0.00 0.00 34.13 30.94 1smh s GLU 341 CO 0.01 -0.73 -0.02 0.15 -0.54 0.00 0.00 175.26 174.13 1smh s LYS 342 N 1.75 3.12 -1.50 4.30 -0.14 0.25 -4.68 119.74 122.85 1smh s LYS 342 Ca 0.75 -0.46 -0.12 0.00 -1.36 0.00 0.00 55.97 54.77 1smh s LYS 342 Cb -0.46 -2.79 0.07 0.00 -1.68 0.00 0.00 37.83 32.98 1smh s LYS 342 CO 0.33 0.57 0.90 0.00 -0.76 0.00 0.00 175.35 176.39 1smh h GLY 344 N -1.91 0.97 0.90 0.00 0.00 -1.94 -2.72 103.07 98.38 1smh h GLY 344 Ca -0.55 -0.36 -0.13 0.00 0.00 0.00 0.00 47.33 46.28 1smh h GLY 344 CO 0.64 0.35 -0.42 0.50 0.00 0.00 0.00 176.54 177.61 1smh h LYS 345 N 0.93 0.56 -0.97 4.80 1.79 -1.99 -2.66 116.57 119.02 1smh h LYS 345 Ca 0.25 -0.40 0.13 0.00 -2.18 0.00 0.00 60.65 58.46 1smh h LYS 345 Cb -0.10 0.06 -0.08 0.00 -1.58 0.00 0.00 32.23 30.53 1smh h LYS 345 CO -0.06 1.02 0.62 0.93 -1.08 0.00 0.00 179.45 180.87 1smh h GLU 346 N 0.21 0.88 -0.44 3.15 3.07 -1.95 -2.77 114.58 116.72 1smh h GLU 346 Ca -0.01 -0.05 -0.18 0.00 -0.50 0.00 0.00 59.36 58.62 1smh h GLU 346 Cb 1.04 -0.20 -0.11 0.00 -0.84 0.00 0.00 28.75 28.64 1smh h GLU 346 CO 0.09 0.58 0.07 1.19 -1.40 0.00 0.00 179.01 179.54 1smh n PHE 347 N -4.61 1.42 0.10 4.33 3.72 -1.03 -4.75 117.46 116.64 1smh n PHE 347 Ca 0.19 -1.41 -0.04 0.00 -0.05 0.00 0.00 57.45 56.14 1smh n PHE 347 Cb 0.39 -0.52 0.15 0.00 -0.94 0.00 0.00 39.48 38.56 1smh n PHE 347 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1smh h SER 348 N 1.35 0.22 1.03 4.37 4.64 -1.17 -2.06 113.55 121.94 1smh h SER 348 Ca 0.22 -0.12 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1smh h SER 348 Cb 1.82 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.85 1smh h SER 348 CO 0.47 0.74 0.00 1.05 -0.87 0.00 0.00 176.83 178.22 1smh h GLU 349 N 0.15 0.00 0.00 4.77 4.11 -1.85 -3.52 114.58 118.24 1smh h GLU 349 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1smh h GLU 349 Cb 1.04 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1smh h GLU 349 CO 0.08 0.00 0.00 0.34 0.07 0.00 0.00 179.01 179.50