#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ddh n LYS 2 N 0.00 0.00 -0.01 0.00 2.85 -1.26 -4.68 118.16 115.06 3ddh n LYS 2 Ca 0.00 0.00 0.10 0.00 -1.05 0.00 0.00 58.31 57.36 3ddh n LYS 2 Cb 0.00 -1.77 -0.15 0.00 -0.65 0.00 0.00 35.03 32.45 3ddh n LYS 2 CO 0.00 0.00 0.00 -1.91 -0.05 0.00 0.00 177.40 175.44 3ddh n GLU 3 N -0.82 0.60 0.07 -1.58 4.07 -1.26 -4.53 120.64 117.19 3ddh n GLU 3 Ca 0.00 -0.18 -0.21 0.00 -0.06 0.00 0.00 57.16 56.71 3ddh n GLU 3 Cb 0.00 -1.47 -0.12 0.00 -0.06 0.00 0.00 31.44 29.80 3ddh n GLU 3 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 3ddh h LEU 4 N 0.00 0.88 -9.45 4.31 4.07 -1.90 -3.46 115.31 109.76 3ddh h LEU 4 Ca 0.00 -0.76 -0.53 0.00 0.08 0.00 0.00 57.88 56.66 3ddh h LEU 4 Cb 0.89 -0.27 0.02 0.00 1.08 0.00 0.00 40.66 42.38 3ddh h LEU 4 CO 0.00 1.57 0.96 -0.63 -1.08 0.00 0.00 178.44 179.25 3ddh s ILE 5 N -3.13 3.12 -0.15 1.22 -1.09 -1.26 -4.57 121.20 115.34 3ddh s ILE 5 Ca -0.09 0.59 0.10 0.00 -2.23 0.00 0.00 60.65 59.01 3ddh s ILE 5 Cb 0.06 -3.38 -0.16 0.00 -1.58 0.00 0.00 42.46 37.41 3ddh s ILE 5 CO 0.93 0.00 0.00 0.29 -1.23 0.00 0.00 174.94 174.93 3ddh n LYS 6 N 5.40 1.44 -4.66 2.79 4.76 0.03 -4.94 118.16 122.98 3ddh n LYS 6 Ca 0.15 0.02 -0.25 0.00 -2.87 0.00 0.00 58.31 55.36 3ddh n LYS 6 Cb 0.41 -1.36 -0.16 0.00 -1.84 0.00 0.00 35.03 32.08 3ddh n LYS 6 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3ddh s VAL 7 N -2.34 1.22 -0.30 -0.18 1.01 -0.95 -1.60 120.40 117.26 3ddh s VAL 7 Ca -0.11 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 61.27 3ddh s VAL 7 Cb 0.05 -1.09 0.03 0.00 0.00 0.00 0.00 36.38 35.37 3ddh s VAL 7 CO 0.53 0.37 0.04 -0.63 0.00 0.00 0.00 175.10 175.42 3ddh s ILE 8 N 0.43 3.50 -0.09 2.22 1.01 -0.33 -1.45 121.20 126.49 3ddh s ILE 8 Ca -0.11 -1.03 -0.10 0.00 0.00 0.00 0.00 60.65 59.42 3ddh s ILE 8 Cb -0.14 -2.89 -0.05 0.00 0.01 0.00 0.00 42.46 39.39 3ddh s ILE 8 CO 0.03 -0.01 0.22 0.00 0.00 0.00 0.00 174.94 175.18 3ddh s ALA 9 N 1.39 3.81 -0.09 9.38 0.00 0.22 -1.45 121.76 135.02 3ddh s ALA 9 Ca -0.01 -0.51 0.03 0.00 0.00 0.00 0.00 51.96 51.47 3ddh s ALA 9 Cb -0.18 -2.11 -0.01 0.00 0.00 0.00 0.00 23.12 20.82 3ddh s ALA 9 CO 0.00 0.55 -0.20 -0.06 0.00 0.00 0.00 175.76 176.06 3ddh s PHE 10 N -0.96 2.63 0.70 0.00 0.40 0.22 -0.66 117.98 120.31 3ddh s PHE 10 Ca 0.17 -0.72 -0.16 0.00 -0.60 0.00 0.00 56.93 55.62 3ddh s PHE 10 Cb -0.13 -1.71 0.01 0.00 0.51 0.00 0.00 43.02 41.70 3ddh s PHE 10 CO 0.07 -0.22 1.21 -3.47 0.70 0.00 0.00 175.22 173.51 3ddh n ASP 11 N 3.22 1.54 -0.06 1.36 2.03 -0.19 -0.90 116.55 123.55 3ddh n ASP 11 Ca -0.18 0.74 -0.06 0.00 0.52 0.00 0.00 54.79 55.81 3ddh n ASP 11 Cb 0.53 -1.52 -0.02 0.00 -0.72 0.00 0.00 41.12 39.39 3ddh n ASP 11 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ddh n ALA 12 N -2.35 0.91 -1.93 -1.67 0.00 -1.26 -4.11 120.51 110.10 3ddh n ALA 12 Ca 0.15 -0.60 -0.42 0.00 0.00 0.00 0.00 53.44 52.56 3ddh n ALA 12 Cb 0.49 0.04 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 3ddh n ALA 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3ddh s ASP 13 N -5.46 6.62 -0.65 0.00 1.01 -1.26 -0.89 116.67 116.04 3ddh s ASP 13 Ca -0.19 2.35 0.00 0.00 0.71 0.00 0.00 52.55 55.42 3ddh s ASP 13 Cb 0.03 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.42 3ddh s ASP 13 CO 0.29 -0.95 0.00 0.47 0.21 0.00 0.00 175.17 175.19 3ddh n ASP 14 N 7.08 -4.27 0.01 0.27 8.00 0.80 -4.81 116.55 123.63 3ddh n ASP 14 Ca 0.18 0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.83 3ddh n ASP 14 Cb 0.42 -2.30 0.00 0.00 -0.02 0.00 0.00 41.12 39.22 3ddh n ASP 14 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3ddh n THR 15 N -2.65 0.25 -0.00 -3.53 -1.04 -0.75 -4.54 114.28 102.03 3ddh n THR 15 Ca -0.06 0.08 -0.13 0.00 -2.04 0.00 0.00 64.05 61.90 3ddh n THR 15 Cb 0.29 -1.39 -0.14 0.00 -1.82 0.00 0.00 70.33 67.27 3ddh n THR 15 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3ddh h LEU 16 N 0.00 0.16 -7.55 -4.42 3.38 -1.17 -3.44 115.31 102.28 3ddh h LEU 16 Ca 0.00 -0.35 -0.07 0.00 0.09 0.00 0.00 57.88 57.55 3ddh h LEU 16 Cb 0.67 -0.05 -0.14 0.00 0.09 0.00 0.00 40.66 41.23 3ddh h LEU 16 CO 0.00 1.31 -0.20 -1.66 0.09 0.00 0.00 178.44 177.98 3ddh s TRP 17 N -2.59 -0.08 0.05 1.13 -2.14 -1.20 -1.56 118.94 112.55 3ddh s TRP 17 Ca -0.11 -0.23 -0.31 0.00 2.66 0.00 0.00 56.10 58.12 3ddh s TRP 17 Cb 0.07 0.13 -0.06 0.00 -3.10 0.00 0.00 33.47 30.51 3ddh s TRP 17 CO 0.81 -0.61 1.34 0.45 -2.66 0.00 0.00 176.95 176.28 3ddh s SER 18 N -2.66 6.90 0.00 -2.66 0.15 -0.80 -0.14 113.70 114.49 3ddh s SER 18 Ca 0.02 2.15 0.00 0.00 0.70 0.00 0.00 55.95 58.82 3ddh s SER 18 Cb 0.02 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 3ddh s SER 18 CO -0.10 -0.63 0.00 -3.20 1.20 0.00 0.00 173.24 170.51 3ddh n ASN 19 N 4.54 0.49 -0.29 5.45 5.15 -1.26 -4.65 115.26 124.69 3ddh n ASN 19 Ca 0.12 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.10 3ddh n ASN 19 Cb 0.44 0.00 0.13 0.00 -0.53 0.00 0.00 39.78 39.82 3ddh n ASN 19 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 3ddh h GLU 20 N 0.00 0.86 -0.94 1.20 4.81 -1.94 -2.11 114.58 116.46 3ddh h GLU 20 Ca 0.00 -0.05 0.11 0.00 -0.13 0.00 0.00 59.36 59.29 3ddh h GLU 20 Cb 0.71 -0.19 -0.07 0.00 0.63 0.00 0.00 28.75 29.82 3ddh h GLU 20 CO 0.00 0.57 0.60 -1.35 -0.73 0.00 0.00 179.01 178.10 3ddh h PRO 21 N 0.89 0.90 -0.17 0.92 0.11 -1.97 0.12 132.00 132.81 3ddh h PRO 21 Ca 0.35 -0.05 -0.22 0.00 0.11 0.00 0.00 66.00 66.19 3ddh h PRO 21 Cb 0.17 -0.20 0.01 0.00 0.11 0.00 0.00 31.00 31.09 3ddh h PRO 21 CO -0.17 0.59 -0.74 0.35 -0.21 0.00 0.00 178.00 177.81 3ddh h PHE 22 N 0.92 1.04 -0.83 0.65 3.04 -1.74 -1.28 116.94 118.74 3ddh h PHE 22 Ca 0.45 -0.44 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 3ddh h PHE 22 Cb 0.46 -0.16 -0.04 0.00 2.56 0.00 0.00 35.95 38.77 3ddh h PHE 22 CO -0.00 1.27 0.42 0.74 -2.02 0.00 0.00 178.31 178.72 3ddh h PHE 23 N 0.54 1.17 -0.57 0.41 -1.00 -1.01 -1.93 116.94 114.55 3ddh h PHE 23 Ca -0.04 -0.04 -0.03 0.00 2.81 0.00 0.00 57.97 60.66 3ddh h PHE 23 Cb 1.37 -0.37 -0.02 0.00 3.61 0.00 0.00 35.95 40.53 3ddh h PHE 23 CO 0.08 0.83 0.23 1.96 -1.61 0.00 0.00 178.31 179.80 3ddh h GLN 24 N 1.18 0.85 -0.38 1.51 1.08 -0.53 -1.80 115.11 117.01 3ddh h GLN 24 Ca 0.29 -0.15 -0.11 0.00 -1.45 0.00 0.00 58.65 57.22 3ddh h GLN 24 Cb 0.08 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.36 3ddh h GLN 24 CO -0.04 0.73 -0.21 1.49 -0.95 0.00 0.00 178.83 179.85 3ddh h GLU 25 N 0.78 0.75 -0.47 1.46 4.57 -0.98 -1.23 114.58 119.45 3ddh h GLU 25 Ca 0.19 -0.29 -0.00 0.00 -1.18 0.00 0.00 59.36 58.07 3ddh h GLU 25 Cb 0.20 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 3ddh h GLU 25 CO -0.02 0.90 0.28 0.28 -1.18 0.00 0.00 179.01 179.27 3ddh h VAL 26 N 0.65 1.15 -0.48 0.32 2.07 -1.28 -1.41 116.25 117.27 3ddh h VAL 26 Ca 0.09 -0.36 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 3ddh h VAL 26 Cb 0.71 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3ddh h VAL 26 CO 0.05 0.16 0.02 -0.08 0.02 0.00 0.00 177.57 177.74 3ddh h GLU 27 N 0.63 0.79 -0.44 1.57 4.81 -1.08 -0.55 114.58 120.31 3ddh h GLU 27 Ca 0.17 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3ddh h GLU 27 Cb 0.01 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 3ddh h GLU 27 CO -0.03 0.78 0.22 -0.22 -0.73 0.00 0.00 179.01 179.03 3ddh h LYS 28 N 0.74 0.63 -0.45 1.92 3.11 -1.05 -0.79 116.57 120.67 3ddh h LYS 28 Ca 0.15 -0.08 -0.05 0.00 -2.81 0.00 0.00 60.65 57.86 3ddh h LYS 28 Cb 0.42 -0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 31.51 3ddh h LYS 28 CO 0.02 0.52 0.08 1.96 -2.81 0.00 0.00 179.45 179.22 3ddh h GLN 29 N 0.57 0.68 -0.10 1.90 4.20 -0.93 -1.13 115.11 120.30 3ddh h GLN 29 Ca 0.15 -0.14 0.01 0.00 0.06 0.00 0.00 58.65 58.73 3ddh h GLN 29 Cb 0.09 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 3ddh h GLN 29 CO -0.02 0.64 0.04 -0.92 -0.67 0.00 0.00 178.83 177.90 3ddh h TYR 30 N 0.66 0.08 -0.78 2.96 3.20 -0.72 -1.49 116.97 120.88 3ddh h TYR 30 Ca 0.15 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.98 3ddh h TYR 30 Cb 0.29 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.50 3ddh h TYR 30 CO 0.01 0.05 0.34 1.79 -1.64 0.00 0.00 178.16 178.71 3ddh h THR 31 N 0.10 1.25 -0.68 1.81 1.35 -0.85 -0.60 112.91 115.28 3ddh h THR 31 Ca 0.04 -0.76 0.08 0.00 -0.55 0.00 0.00 66.41 65.22 3ddh h THR 31 Cb 0.01 0.30 -0.04 0.00 -1.73 0.00 0.00 68.15 66.69 3ddh h THR 31 CO -0.03 0.32 0.45 0.44 -0.25 0.00 0.00 175.52 176.44 3ddh h ASP 32 N 1.12 0.57 0.49 5.36 3.32 -1.02 -0.73 116.42 125.52 3ddh h ASP 32 Ca 0.26 0.01 -0.14 0.00 0.02 0.00 0.00 57.03 57.18 3ddh h ASP 32 Cb 0.17 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 3ddh h ASP 32 CO -0.03 0.36 -0.63 -0.07 -1.72 0.00 0.00 179.24 177.15 3ddh h LEU 33 N 0.64 0.16 -3.34 1.55 3.38 -0.06 -3.23 115.31 114.40 3ddh h LEU 33 Ca 0.30 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.18 3ddh h LEU 33 Cb 0.36 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3ddh h LEU 33 CO -0.10 0.74 0.00 0.18 0.09 0.00 0.00 178.44 179.36 3ddh n LEU 34 N -3.83 4.90 -0.30 1.67 4.77 -0.62 -4.61 117.00 118.99 3ddh n LEU 34 Ca -0.02 -2.77 0.15 0.00 -0.03 0.00 0.00 56.01 53.34 3ddh n LEU 34 Cb 0.63 -0.60 0.40 0.00 -2.33 0.00 0.00 43.42 41.52 3ddh n LEU 34 CO 0.44 0.70 1.21 0.50 -1.33 0.00 0.00 177.39 178.91 3ddh h LYS 35 N 3.42 0.62 -0.01 3.23 1.63 -1.20 0.25 116.57 124.51 3ddh h LYS 35 Ca 0.00 -0.04 0.00 0.00 -0.85 0.00 0.00 60.65 59.77 3ddh h LYS 35 Cb 1.65 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 33.14 3ddh h LYS 35 CO 0.33 0.41 0.01 -1.35 -3.45 0.00 0.00 179.45 175.40 3ddh h PRO 36 N 0.64 0.00 -0.02 1.90 0.11 -1.88 -3.06 132.00 129.69 3ddh h PRO 36 Ca 0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.62 3ddh h PRO 36 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 3ddh h PRO 36 CO -0.26 0.00 -0.18 0.66 -0.21 0.00 0.00 178.00 178.01 3ddh n TYR 37 N -3.67 0.00 0.00 0.65 4.01 0.07 -5.04 117.16 113.18 3ddh n TYR 37 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 3ddh n TYR 37 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 3ddh n TYR 37 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ddh n GLY 38 N 1.29 1.32 3.80 2.72 0.00 -1.16 -4.97 105.19 108.20 3ddh n GLY 38 Ca 0.11 -1.06 -0.31 0.00 0.00 0.00 0.00 46.02 44.77 3ddh n GLY 38 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ddh s THR 39 N -2.00 3.66 0.25 2.61 -4.23 -1.26 -4.37 115.64 110.30 3ddh s THR 39 Ca 0.00 0.54 -0.04 0.00 -1.18 0.00 0.00 61.69 61.01 3ddh s THR 39 Cb 0.00 -3.22 0.23 0.00 1.34 0.00 0.00 72.50 70.85 3ddh s THR 39 CO 0.00 -0.70 1.83 0.77 -0.54 0.00 0.00 174.62 175.97 3ddh h SER 40 N -0.90 0.78 -0.58 3.99 4.64 -1.95 0.41 113.55 119.94 3ddh h SER 40 Ca -0.45 0.04 0.05 0.00 -0.47 0.00 0.00 61.79 60.97 3ddh h SER 40 Cb 1.23 -0.12 -0.05 0.00 -0.31 0.00 0.00 62.40 63.15 3ddh h SER 40 CO 0.56 0.45 0.30 0.50 -0.87 0.00 0.00 176.83 177.77 3ddh h LYS 41 N 0.89 0.55 -0.46 4.77 3.64 -1.99 -0.10 116.57 123.88 3ddh h LYS 41 Ca 0.41 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.63 3ddh h LYS 41 Cb 0.33 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 3ddh h LYS 41 CO -0.23 0.37 -0.23 0.93 -2.27 0.00 0.00 179.45 178.02 3ddh h GLU 42 N 0.57 0.96 0.03 1.90 5.08 -1.34 -1.80 114.58 119.98 3ddh h GLU 42 Ca 0.26 -0.42 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 3ddh h GLU 42 Cb 0.17 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.39 3ddh h GLU 42 CO -0.18 1.09 -0.02 0.82 -1.00 0.00 0.00 179.01 179.73 3ddh h ILE 43 N 0.81 1.15 -0.89 3.13 1.08 0.03 -2.19 117.51 120.63 3ddh h ILE 43 Ca 0.10 -0.59 0.14 0.00 -0.39 0.00 0.00 64.86 64.12 3ddh h ILE 43 Cb 0.81 1.55 -0.09 0.00 -3.07 0.00 0.00 36.82 36.02 3ddh h ILE 43 CO 0.07 0.15 0.50 0.28 -0.69 0.00 0.00 178.15 178.46 3ddh h SER 44 N -0.30 0.65 -0.48 1.72 0.02 -1.04 -1.10 113.55 113.02 3ddh h SER 44 Ca -0.00 0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 60.97 3ddh h SER 44 Cb 0.28 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 3ddh h SER 44 CO 0.01 0.30 0.07 0.00 -1.14 0.00 0.00 176.83 176.06 3ddh h ALA 45 N 1.55 0.63 -0.76 3.77 0.00 -1.19 -1.01 119.26 122.26 3ddh h ALA 45 Ca 0.48 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 55.09 3ddh h ALA 45 Cb 0.62 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3ddh h ALA 45 CO -0.33 0.37 0.26 0.00 0.00 0.00 0.00 179.25 179.55 3ddh h ALA 46 N 0.95 1.03 -0.19 0.00 0.00 -0.92 -1.54 119.26 118.60 3ddh h ALA 46 Ca 0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3ddh h ALA 46 Cb 0.40 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3ddh h ALA 46 CO 0.01 0.66 0.07 1.25 0.00 0.00 0.00 179.25 181.24 3ddh h LEU 47 N 1.12 0.27 -0.86 0.00 5.85 -1.10 -1.96 115.31 118.62 3ddh h LEU 47 Ca 0.25 -0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.79 3ddh h LEU 47 Cb 0.27 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.19 3ddh h LEU 47 CO -0.01 0.38 0.56 0.15 -0.34 0.00 0.00 178.44 179.18 3ddh h PHE 48 N 0.14 1.09 -0.64 1.25 3.57 -1.06 -0.67 116.94 120.62 3ddh h PHE 48 Ca 0.06 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.54 3ddh h PHE 48 Cb 0.20 -0.37 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 3ddh h PHE 48 CO -0.01 0.70 0.23 0.37 -2.23 0.00 0.00 178.31 177.37 3ddh h GLN 49 N 1.17 0.95 -0.17 1.11 5.75 -1.09 -2.75 115.11 120.07 3ddh h GLN 49 Ca 0.31 -0.16 -0.02 0.00 -0.15 0.00 0.00 58.65 58.63 3ddh h GLN 49 Cb -0.12 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.27 3ddh h GLN 49 CO -0.07 0.79 0.04 1.15 -2.65 0.00 0.00 178.83 178.09 3ddh h THR 50 N 0.93 1.21 0.00 2.39 2.02 -0.73 -0.86 112.91 117.86 3ddh h THR 50 Ca 0.21 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.72 3ddh h THR 50 Cb 0.21 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 3ddh h THR 50 CO -0.02 0.21 0.00 -0.62 0.37 0.00 0.00 175.52 175.46 3ddh n GLU 51 N -4.79 0.00 0.00 6.66 1.02 -0.32 -1.10 120.64 122.12 3ddh n GLU 51 Ca -0.05 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 3ddh n GLU 51 Cb 0.17 -0.91 0.00 0.00 -0.02 0.00 0.00 31.44 30.68 3ddh n GLU 51 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3ddh n ASN 53 N 0.35 0.00 -1.12 1.62 3.02 -0.33 -2.37 115.26 116.42 3ddh n ASN 53 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 54.58 54.67 3ddh n ASN 53 Cb 0.00 0.00 0.20 0.00 -0.61 0.00 0.00 39.78 39.37 3ddh n ASN 53 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3ddh n ASN 54 N 0.00 3.41 -0.09 6.41 3.02 -0.25 -4.64 115.26 123.11 3ddh n ASN 54 Ca 0.00 -1.99 -0.11 0.00 -0.03 0.00 0.00 54.58 52.45 3ddh n ASN 54 Cb 0.00 -0.22 0.02 0.00 -0.61 0.00 0.00 39.78 38.97 3ddh n ASN 54 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 3ddh h LEU 55 N 4.44 0.88 -0.84 3.41 5.85 -1.73 0.65 115.31 127.96 3ddh h LEU 55 Ca 0.00 -0.39 0.00 0.00 0.84 0.00 0.00 57.88 58.33 3ddh h LEU 55 Cb 0.98 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.76 3ddh h LEU 55 CO 0.00 1.15 0.00 1.56 -0.34 0.00 0.00 178.44 180.81 3ddh h GLN 56 N 0.68 0.00 0.00 1.25 4.20 -1.90 -1.05 115.11 118.30 3ddh h GLN 56 Ca 0.06 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.65 3ddh h GLN 56 Cb 0.93 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.69 3ddh h GLN 56 CO 0.09 0.00 -1.47 0.44 -0.67 0.00 0.00 178.83 177.22 3ddh n ILE 57 N -2.80 0.47 -0.08 2.54 -5.35 -1.09 -4.78 119.36 108.25 3ddh n ILE 57 Ca 0.02 -0.29 -0.08 0.00 -0.27 0.00 0.00 62.75 62.14 3ddh n ILE 57 Cb 0.35 -0.82 -0.16 0.00 -1.74 0.00 0.00 39.64 37.27 3ddh n ILE 57 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3ddh n LEU 58 N -2.26 0.06 0.00 7.28 4.77 0.23 -5.08 117.00 122.00 3ddh n LEU 58 Ca -0.11 0.03 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 3ddh n LEU 58 Cb 0.72 0.42 0.00 0.00 -2.33 0.00 0.00 43.42 42.23 3ddh n LEU 58 CO 0.14 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 3ddh n GLY 59 N 1.68 2.43 3.71 -0.72 0.00 -0.40 -4.69 105.19 107.21 3ddh n GLY 59 Ca -0.29 -0.49 -0.24 0.00 0.00 0.00 0.00 46.02 45.01 3ddh n GLY 59 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ddh s TYR 60 N 0.00 2.88 0.00 1.61 2.02 -1.26 -4.74 117.35 117.86 3ddh s TYR 60 Ca 0.00 -0.16 0.00 0.00 -0.37 0.00 0.00 57.07 56.54 3ddh s TYR 60 Cb 0.00 -1.32 0.00 0.00 -0.40 0.00 0.00 41.96 40.24 3ddh s TYR 60 CO 0.00 0.56 0.00 0.41 -1.57 0.00 0.00 175.55 174.95 3ddh n GLY 61 N -0.75 1.07 0.20 0.71 0.00 -1.26 -4.20 105.19 100.96 3ddh n GLY 61 Ca -0.08 -2.25 -0.02 0.00 0.00 0.00 0.00 46.02 43.68 3ddh n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddh h ALA 62 N 0.00 1.14 -0.28 4.61 0.00 -1.97 -1.46 119.26 121.31 3ddh h ALA 62 Ca 0.00 -0.39 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 3ddh h ALA 62 Cb 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 3ddh h ALA 62 CO 0.00 0.56 -0.26 0.87 0.00 0.00 0.00 179.25 180.43 3ddh h LYS 63 N 0.22 0.66 0.00 0.00 1.57 -1.91 -1.72 116.57 115.39 3ddh h LYS 63 Ca 0.02 -0.34 0.01 0.00 -1.87 0.00 0.00 60.65 58.47 3ddh h LYS 63 Cb 0.76 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 3ddh h LYS 63 CO 0.06 0.95 -0.03 0.00 -0.57 0.00 0.00 179.45 179.86 3ddh h ALA 64 N 0.70 -0.03 -0.42 3.86 0.00 -1.80 -1.65 119.26 119.93 3ddh h ALA 64 Ca 0.05 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3ddh h ALA 64 Cb 0.82 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 3ddh h ALA 64 CO 0.07 -0.53 0.14 0.35 0.00 0.00 0.00 179.25 179.28 3ddh h PHE 65 N -0.06 0.25 -0.23 0.00 3.57 -1.22 0.01 116.94 119.27 3ddh h PHE 65 Ca 0.01 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.59 3ddh h PHE 65 Cb 0.07 -0.05 -0.05 0.00 2.79 0.00 0.00 35.95 38.71 3ddh h PHE 65 CO -0.11 0.09 -0.11 1.15 -2.23 0.00 0.00 178.31 177.10 3ddh h THR 66 N 0.30 0.65 -0.84 4.41 2.02 -1.04 -2.54 112.91 115.87 3ddh h THR 66 Ca 0.19 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.35 3ddh h THR 66 Cb 0.19 0.65 -0.04 0.00 -1.74 0.00 0.00 68.15 67.20 3ddh h THR 66 CO -0.20 0.00 0.43 0.40 0.37 0.00 0.00 175.52 176.51 3ddh h ILE 67 N -0.09 1.25 0.00 3.11 2.04 -0.75 -1.05 117.51 122.03 3ddh h ILE 67 Ca 0.12 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.31 3ddh h ILE 67 Cb 0.27 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 3ddh h ILE 67 CO -0.28 0.29 0.00 -1.20 0.00 0.00 0.00 178.15 176.96 3ddh n SER 68 N -4.32 1.81 0.00 1.72 7.64 -0.06 -0.99 113.62 119.42 3ddh n SER 68 Ca 0.09 -1.18 0.00 0.00 1.01 0.00 0.00 58.87 58.78 3ddh n SER 68 Cb 0.12 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 3ddh n SER 68 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3ddh n VAL 70 N 0.96 0.00 -0.34 0.44 0.31 -0.40 -0.66 118.33 118.64 3ddh n VAL 70 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 3ddh n VAL 70 Cb 0.26 0.00 0.13 0.00 -0.91 0.00 0.00 33.84 33.32 3ddh n VAL 70 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3ddh h GLU 71 N 0.00 1.25 -0.44 5.55 4.81 -1.33 -1.54 114.58 122.89 3ddh h GLU 71 Ca 0.00 -0.09 -0.13 0.00 -0.13 0.00 0.00 59.36 59.01 3ddh h GLU 71 Cb 0.00 -0.27 -0.01 0.00 0.63 0.00 0.00 28.75 29.09 3ddh h GLU 71 CO 0.00 0.85 -0.25 1.15 -0.73 0.00 0.00 179.01 180.03 3ddh h THR 72 N 1.28 1.27 -0.43 0.32 2.02 -1.14 -0.40 112.91 115.83 3ddh h THR 72 Ca 0.34 -1.40 0.01 0.00 0.77 0.00 0.00 66.41 66.13 3ddh h THR 72 Cb -0.11 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 3ddh h THR 72 CO -0.07 0.48 0.28 0.00 0.37 0.00 0.00 175.52 176.57 3ddh h ALA 73 N 0.93 0.54 -0.18 6.16 0.00 -1.69 0.29 119.26 125.30 3ddh h ALA 73 Ca 0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3ddh h ALA 73 Cb 0.81 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3ddh h ALA 73 CO 0.07 -0.02 0.07 -0.07 0.00 0.00 0.00 179.25 179.29 3ddh h LEU 74 N 0.56 0.26 0.08 0.00 3.38 -1.15 -2.55 115.31 115.89 3ddh h LEU 74 Ca 0.16 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 3ddh h LEU 74 Cb -0.05 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.64 3ddh h LEU 74 CO -0.05 0.37 -0.04 -0.61 0.09 0.00 0.00 178.44 178.21 3ddh h GLN 75 N 0.13 -0.11 0.00 1.13 5.75 -0.91 -0.70 115.11 120.40 3ddh h GLN 75 Ca 0.06 0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.57 3ddh h GLN 75 Cb 0.20 0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.77 3ddh h GLN 75 CO -0.00 0.18 0.00 0.97 -2.65 0.00 0.00 178.83 177.33 3ddh h ILE 76 N -0.40 0.00 -0.18 2.39 2.10 -1.00 -1.23 117.51 119.19 3ddh h ILE 76 Ca -0.01 -0.39 0.00 0.00 1.08 0.00 0.00 64.86 65.54 3ddh h ILE 76 Cb 0.34 1.27 0.00 0.00 -1.09 0.00 0.00 36.82 37.34 3ddh h ILE 76 CO 0.02 0.00 0.00 -1.54 -1.08 0.00 0.00 178.15 175.55 3ddh n SER 77 N -2.69 2.48 -3.88 2.19 3.41 -0.96 -4.93 113.62 109.24 3ddh n SER 77 Ca 0.01 -1.83 -0.31 0.00 -0.26 0.00 0.00 58.87 56.49 3ddh n SER 77 Cb 0.28 -0.11 -0.02 0.00 -0.26 0.00 0.00 64.21 64.10 3ddh n SER 77 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3ddh n ASN 78 N 0.88 -3.36 0.00 4.04 5.15 -0.47 -0.28 115.26 121.22 3ddh n ASN 78 Ca 0.17 -0.75 0.00 0.00 -0.60 0.00 0.00 54.58 53.40 3ddh n ASN 78 Cb 0.48 -2.77 0.00 0.00 -0.53 0.00 0.00 39.78 36.96 3ddh n ASN 78 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ddh n GLY 79 N -1.28 0.90 0.19 8.20 0.00 -0.29 -4.91 105.19 108.01 3ddh n GLY 79 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.14 3ddh n GLY 79 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ddh h LYS 80 N 2.62 0.00 -7.00 1.61 6.56 -0.91 -3.47 116.57 115.98 3ddh h LYS 80 Ca 0.00 0.00 -0.53 0.00 -1.06 0.00 0.00 60.65 59.06 3ddh h LYS 80 Cb 0.00 0.00 0.10 0.00 -0.57 0.00 0.00 32.23 31.77 3ddh h LYS 80 CO 0.00 0.32 0.61 -1.50 -2.06 0.00 0.00 179.45 176.82 3ddh s ILE 81 N -3.46 2.40 0.49 1.86 2.07 -1.26 -4.98 121.20 118.32 3ddh s ILE 81 Ca 0.01 0.33 -0.19 0.00 -1.41 0.00 0.00 60.65 59.40 3ddh s ILE 81 Cb 0.10 -3.18 -0.08 0.00 0.13 0.00 0.00 42.46 39.42 3ddh s ILE 81 CO 0.68 0.02 1.00 0.00 -1.91 0.00 0.00 174.94 174.73 3ddh s ALA 82 N -1.31 2.97 0.23 1.50 0.00 -1.26 -4.98 121.76 118.91 3ddh s ALA 82 Ca 0.63 0.37 -0.06 0.00 0.00 0.00 0.00 51.96 52.91 3ddh s ALA 82 Cb -0.39 -3.17 0.23 0.00 0.00 0.00 0.00 23.12 19.79 3ddh s ALA 82 CO 0.48 -0.22 1.78 0.00 0.00 0.00 0.00 175.76 177.80 3ddh h ALA 83 N 1.28 1.08 -1.03 0.00 0.00 -1.99 -2.34 119.26 116.26 3ddh h ALA 83 Ca -0.48 -0.21 0.27 0.00 0.00 0.00 0.00 54.91 54.49 3ddh h ALA 83 Cb 1.20 -0.28 -0.12 0.00 0.00 0.00 0.00 17.79 18.59 3ddh h ALA 83 CO 0.60 0.63 0.63 -0.44 0.00 0.00 0.00 179.25 180.67 3ddh h ASP 84 N 1.04 0.56 0.01 0.00 3.32 -1.99 0.10 116.42 119.46 3ddh h ASP 84 Ca 0.23 0.12 -0.16 0.00 0.02 0.00 0.00 57.03 57.24 3ddh h ASP 84 Cb 0.27 0.04 0.01 0.00 0.22 0.00 0.00 39.33 39.87 3ddh h ASP 84 CO -0.01 0.06 -0.64 0.40 -1.72 0.00 0.00 179.24 177.34 3ddh h ILE 85 N 0.47 1.42 -0.73 0.35 1.08 -1.82 -2.20 117.51 116.09 3ddh h ILE 85 Ca 0.64 -2.11 0.10 0.00 -0.39 0.00 0.00 64.86 63.10 3ddh h ILE 85 Cb 1.42 2.62 -0.07 0.00 -3.07 0.00 0.00 36.82 37.72 3ddh h ILE 85 CO -0.42 0.62 0.36 0.40 -0.69 0.00 0.00 178.15 178.41 3ddh h ILE 86 N -0.09 0.83 -0.52 -0.67 2.04 -1.17 0.34 117.51 118.27 3ddh h ILE 86 Ca -0.08 -0.21 0.05 0.00 1.00 0.00 0.00 64.86 65.62 3ddh h ILE 86 Cb 1.35 0.18 -0.05 0.00 -0.74 0.00 0.00 36.82 37.56 3ddh h ILE 86 CO 0.12 0.11 0.26 -0.09 0.00 0.00 0.00 178.15 178.55 3ddh h ARG 87 N 0.60 0.49 -0.88 2.37 9.65 -0.69 -0.25 114.38 125.67 3ddh h ARG 87 Ca 0.36 -0.03 0.04 0.00 -1.10 0.00 0.00 59.98 59.26 3ddh h ARG 87 Cb 0.40 -0.11 -0.06 0.00 -1.39 0.00 0.00 29.97 28.82 3ddh h ARG 87 CO -0.28 0.32 0.56 1.96 2.80 0.00 0.00 179.97 185.33 3ddh h GLN 88 N 0.50 1.04 -0.49 0.20 4.20 -0.65 -1.47 115.11 118.43 3ddh h GLN 88 Ca 0.23 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.85 3ddh h GLN 88 Cb 0.15 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 3ddh h GLN 88 CO -0.17 0.69 0.21 0.82 -0.67 0.00 0.00 178.83 179.71 3ddh h ILE 89 N 1.07 1.21 -0.73 2.54 2.04 -0.26 -1.29 117.51 122.09 3ddh h ILE 89 Ca 0.36 -0.63 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 3ddh h ILE 89 Cb 0.06 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 3ddh h ILE 89 CO -0.14 0.24 0.40 0.58 0.00 0.00 0.00 178.15 179.23 3ddh h VAL 90 N 0.65 1.22 -0.51 1.67 2.07 -0.72 -1.73 116.25 118.89 3ddh h VAL 90 Ca 0.17 -0.56 -0.06 0.00 0.82 0.00 0.00 66.70 67.06 3ddh h VAL 90 Cb 0.18 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 3ddh h VAL 90 CO -0.02 0.25 0.06 0.44 0.02 0.00 0.00 177.57 178.32 3ddh h ASP 91 N 1.00 0.78 0.03 0.57 3.32 -1.01 -0.36 116.42 120.75 3ddh h ASP 91 Ca 0.26 -0.17 0.01 0.00 0.02 0.00 0.00 57.03 57.15 3ddh h ASP 91 Cb 0.04 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3ddh h ASP 91 CO -0.04 0.81 -0.09 -0.07 -1.72 0.00 0.00 179.24 178.13 3ddh h LEU 92 N 0.78 -0.25 -0.59 1.55 3.38 -0.87 0.10 115.31 119.41 3ddh h LEU 92 Ca 0.16 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.19 3ddh h LEU 92 Cb 0.39 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 3ddh h LEU 92 CO 0.01 -0.13 0.36 1.23 0.09 0.00 0.00 178.44 179.99 3ddh h GLY 93 N -0.17 0.84 2.00 0.83 0.00 -0.92 -1.78 103.07 103.87 3ddh h GLY 93 Ca 0.02 -0.26 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 3ddh h GLY 93 CO -0.07 0.22 -0.14 0.50 0.00 0.00 0.00 176.54 177.05 3ddh h LYS 94 N 0.70 0.00 0.00 4.80 1.57 -0.86 -2.29 116.57 120.48 3ddh h LYS 94 Ca 0.24 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.97 3ddh h LYS 94 Cb 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 3ddh h LYS 94 CO -0.11 0.14 -0.24 0.66 -0.57 0.00 0.00 179.45 179.32 3ddh h SER 95 N 0.00 0.00 -0.27 0.86 4.64 -0.06 -1.63 113.55 117.10 3ddh h SER 95 Ca -0.00 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.32 3ddh h SER 95 Cb 0.35 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.42 3ddh h SER 95 CO 0.02 0.24 0.18 -0.07 -0.87 0.00 0.00 176.83 176.33 3ddh h LEU 96 N 0.00 0.30 0.00 5.97 3.38 -1.34 -2.33 115.31 121.29 3ddh h LEU 96 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3ddh h LEU 96 Cb 0.44 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.12 3ddh h LEU 96 CO 0.03 0.22 0.00 0.18 0.09 0.00 0.00 178.44 178.96 3ddh n LEU 97 N -4.50 0.00 -4.10 1.67 4.77 -0.61 -4.98 117.00 109.25 3ddh n LEU 97 Ca 0.01 0.36 -0.33 0.00 -0.03 0.00 0.00 56.01 56.02 3ddh n LEU 97 Cb 0.08 -0.36 -0.16 0.00 -2.33 0.00 0.00 43.42 40.65 3ddh n LEU 97 CO 0.35 -0.01 -0.51 -0.54 -1.33 0.00 0.00 177.39 175.34 3ddh s LYS 98 N -2.72 2.76 -0.02 3.23 1.02 -0.88 -4.99 119.74 118.14 3ddh s LYS 98 Ca 0.23 -0.96 0.01 0.00 0.02 0.00 0.00 55.97 55.27 3ddh s LYS 98 Cb 0.19 -2.64 -0.04 0.00 -0.52 0.00 0.00 37.83 34.83 3ddh s LYS 98 CO 0.47 -0.31 -0.01 -1.25 -0.92 0.00 0.00 175.35 173.33 3ddh s PRO 100 N 1.25 2.80 -0.33 -1.68 0.04 -1.26 -5.08 135.00 130.74 3ddh s PRO 100 Ca 0.01 -0.58 -0.13 0.00 0.04 0.00 0.00 61.00 60.34 3ddh s PRO 100 Cb -0.15 -2.67 -0.02 0.00 0.04 0.00 0.00 34.50 31.70 3ddh s PRO 100 CO -0.11 0.64 0.27 0.42 0.04 0.00 0.00 177.00 178.26 3ddh s ILE 101 N -1.04 5.26 -0.29 0.56 -1.09 -1.26 -5.00 121.20 118.34 3ddh s ILE 101 Ca 0.18 -0.08 -0.01 0.00 -2.23 0.00 0.00 60.65 58.52 3ddh s ILE 101 Cb -0.11 -3.72 0.05 0.00 -1.58 0.00 0.00 42.46 37.10 3ddh s ILE 101 CO 0.08 0.01 -0.02 -1.61 -1.23 0.00 0.00 174.94 172.17 3ddh s GLU 102 N 1.81 2.39 0.54 2.79 2.02 -1.26 -4.94 118.70 122.06 3ddh s GLU 102 Ca 0.08 -1.28 -0.20 0.00 0.02 0.00 0.00 54.97 53.58 3ddh s GLU 102 Cb -0.17 -3.13 -0.05 0.00 0.10 0.00 0.00 34.13 30.89 3ddh s GLU 102 CO 0.11 -0.61 1.22 -0.51 0.02 0.00 0.00 175.26 175.49 3ddh s LEU 103 N 1.22 3.80 0.56 1.80 1.43 -1.26 -1.91 118.68 124.32 3ddh s LEU 103 Ca -0.06 2.43 -0.06 0.00 -1.03 0.00 0.00 54.13 55.41 3ddh s LEU 103 Cb -0.20 -4.44 -0.01 0.00 0.03 0.00 0.00 46.19 41.57 3ddh s LEU 103 CO -0.02 -1.39 0.87 -0.76 0.23 0.00 0.00 176.35 175.29 3ddh s LEU 104 N -3.67 3.36 0.21 1.79 1.43 -0.60 -4.82 118.68 116.38 3ddh s LEU 104 Ca 0.72 0.82 -0.32 0.00 -1.03 0.00 0.00 54.13 54.32 3ddh s LEU 104 Cb -0.31 -3.70 -0.14 0.00 0.03 0.00 0.00 46.19 42.07 3ddh s LEU 104 CO 0.36 -0.90 1.44 -2.65 0.23 0.00 0.00 176.35 174.82 3ddh n PRO 105 N -2.49 1.97 -0.90 1.29 -0.02 -1.26 -2.58 135.00 131.01 3ddh n PRO 105 Ca 0.03 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 3ddh n PRO 105 Cb 0.57 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.66 3ddh n PRO 105 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ddh n GLY 106 N 2.50 0.63 0.12 -1.23 0.00 -1.26 -3.81 105.19 102.15 3ddh n GLY 106 Ca 0.14 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.03 3ddh n GLY 106 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ddh h VAL 107 N 0.00 1.00 -0.49 1.61 2.07 -1.85 -1.78 116.25 116.81 3ddh h VAL 107 Ca 0.00 -1.03 0.02 0.00 0.82 0.00 0.00 66.70 66.51 3ddh h VAL 107 Cb 0.07 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.40 3ddh h VAL 107 CO 0.00 0.23 0.29 0.50 0.02 0.00 0.00 177.57 178.61 3ddh h LYS 108 N -0.72 0.57 -0.18 1.57 1.63 -1.91 -2.11 116.57 115.41 3ddh h LYS 108 Ca -0.02 -0.03 -0.11 0.00 -0.85 0.00 0.00 60.65 59.63 3ddh h LYS 108 Cb 0.52 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 32.01 3ddh h LYS 108 CO 0.03 0.37 -0.37 0.93 -3.45 0.00 0.00 179.45 176.97 3ddh h GLU 109 N 0.58 0.40 -0.02 1.90 4.39 -1.96 -0.50 114.58 119.38 3ddh h GLU 109 Ca 0.19 -0.18 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 3ddh h GLU 109 Cb 0.01 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3ddh h GLU 109 CO -0.09 0.71 0.00 1.15 -1.16 0.00 0.00 179.01 179.63 3ddh h THR 110 N 0.34 1.24 -0.40 1.13 2.02 -1.08 -1.76 112.91 114.39 3ddh h THR 110 Ca 0.04 -0.72 -0.08 0.00 0.77 0.00 0.00 66.41 66.41 3ddh h THR 110 Cb 0.81 1.70 -0.01 0.00 -1.74 0.00 0.00 68.15 68.91 3ddh h THR 110 CO 0.06 0.19 -0.06 -0.07 0.37 0.00 0.00 175.52 176.01 3ddh h LEU 111 N -0.27 0.75 -0.59 2.58 3.38 -1.26 -0.96 115.31 118.94 3ddh h LEU 111 Ca 0.00 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.63 3ddh h LEU 111 Cb 0.31 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3ddh h LEU 111 CO 0.00 0.92 0.38 0.50 0.09 0.00 0.00 178.44 180.33 3ddh h LYS 112 N 0.57 0.78 -0.10 1.13 3.64 -1.14 -0.14 116.57 121.32 3ddh h LYS 112 Ca 0.11 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 3ddh h LYS 112 Cb 0.57 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 3ddh h LYS 112 CO 0.03 0.54 0.03 1.15 -2.27 0.00 0.00 179.45 178.94 3ddh h THR 113 N 0.80 1.16 -0.25 1.00 2.02 -1.18 -1.49 112.91 114.96 3ddh h THR 113 Ca 0.21 -0.48 0.02 0.00 0.77 0.00 0.00 66.41 66.93 3ddh h THR 113 Cb -0.06 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 3ddh h THR 113 CO -0.04 0.14 0.11 -0.07 0.37 0.00 0.00 175.52 176.03 3ddh h LEU 114 N -0.02 0.15 -0.59 2.58 3.38 -1.02 -2.42 115.31 117.38 3ddh h LEU 114 Ca 0.03 0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.09 3ddh h LEU 114 Cb 0.19 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 40.87 3ddh h LEU 114 CO -0.00 0.12 0.28 0.50 0.09 0.00 0.00 178.44 179.43 3ddh h LYS 115 N 0.24 0.49 0.00 1.13 1.63 -0.98 -2.38 116.57 116.70 3ddh h LYS 115 Ca 0.10 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 59.86 3ddh h LYS 115 Cb 0.04 -0.11 -0.00 0.00 -0.60 0.00 0.00 32.23 31.56 3ddh h LYS 115 CO -0.08 0.33 -0.06 0.93 -3.45 0.00 0.00 179.45 177.12 3ddh h GLU 116 N 0.51 0.00 -0.05 1.90 5.08 -0.81 -1.46 114.58 119.76 3ddh h GLU 116 Ca 0.28 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.57 3ddh h GLU 116 Cb 0.26 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3ddh h GLU 116 CO -0.23 0.06 -0.29 1.79 -1.00 0.00 0.00 179.01 179.34 3ddh h THR 117 N 0.00 1.23 0.00 1.13 1.35 -0.97 -3.46 112.91 112.19 3ddh h THR 117 Ca -0.00 -1.10 0.00 0.00 -0.55 0.00 0.00 66.41 64.75 3ddh h THR 117 Cb 0.17 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.12 3ddh h THR 117 CO 0.01 0.32 0.00 0.61 -0.25 0.00 0.00 175.52 176.21 3ddh n GLY 118 N -0.60 0.72 0.15 5.82 0.00 -0.55 -4.90 105.19 105.84 3ddh n GLY 118 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.07 3ddh n GLY 118 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3ddh h LYS 119 N 1.97 0.00 -5.11 1.61 3.64 -1.83 -3.48 116.57 113.37 3ddh h LYS 119 Ca 0.00 0.00 -0.37 0.00 -1.27 0.00 0.00 60.65 59.01 3ddh h LYS 119 Cb 0.04 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 31.71 3ddh h LYS 119 CO 0.00 0.21 -0.67 0.71 -2.27 0.00 0.00 179.45 177.43 3ddh s TYR 120 N -3.11 1.51 -0.08 1.91 2.02 -1.26 -4.91 117.35 113.42 3ddh s TYR 120 Ca 0.03 -0.87 -0.17 0.00 -0.37 0.00 0.00 57.07 55.69 3ddh s TYR 120 Cb 0.07 -0.85 -0.05 0.00 -0.40 0.00 0.00 41.96 40.74 3ddh s TYR 120 CO 0.74 0.01 0.45 0.15 -1.57 0.00 0.00 175.55 175.33 3ddh s LYS 121 N -3.83 4.23 -0.18 -0.62 -0.14 -0.63 -5.01 119.74 113.56 3ddh s LYS 121 Ca 0.26 0.42 -0.04 0.00 -1.36 0.00 0.00 55.97 55.25 3ddh s LYS 121 Cb 0.05 -3.37 -0.02 0.00 -1.68 0.00 0.00 37.83 32.80 3ddh s LYS 121 CO 0.07 0.32 -0.02 -0.51 -0.76 0.00 0.00 175.35 174.44 3ddh s LEU 122 N 0.11 3.20 0.11 3.17 1.43 -1.26 -1.19 118.68 124.25 3ddh s LEU 122 Ca 0.25 -0.20 0.04 0.00 -1.03 0.00 0.00 54.13 53.19 3ddh s LEU 122 Cb -0.16 -1.79 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 3ddh s LEU 122 CO 0.11 0.10 -0.10 0.68 0.23 0.00 0.00 176.35 177.37 3ddh s VAL 123 N 0.76 1.02 -0.09 -1.59 -7.23 -0.53 -0.86 120.40 111.88 3ddh s VAL 123 Ca -0.01 -1.73 -0.13 0.00 -1.81 0.00 0.00 61.98 58.30 3ddh s VAL 123 Cb -0.14 -1.47 -0.05 0.00 0.56 0.00 0.00 36.38 35.27 3ddh s VAL 123 CO 0.02 -0.58 0.32 -0.69 -0.31 0.00 0.00 175.10 173.86 3ddh s VAL 124 N -2.59 5.23 -0.27 1.32 1.01 -0.80 -0.61 120.40 123.69 3ddh s VAL 124 Ca 0.08 0.62 0.01 0.00 0.00 0.00 0.00 61.98 62.69 3ddh s VAL 124 Cb -0.02 -3.63 0.08 0.00 0.00 0.00 0.00 36.38 32.80 3ddh s VAL 124 CO 0.00 0.49 -0.01 0.00 0.00 0.00 0.00 175.10 175.59 3ddh s ALA 125 N -0.32 2.14 -0.03 5.51 0.00 -0.08 0.17 121.76 129.15 3ddh s ALA 125 Ca 0.19 -1.71 -0.09 0.00 0.00 0.00 0.00 51.96 50.35 3ddh s ALA 125 Cb -0.14 -1.60 0.01 0.00 0.00 0.00 0.00 23.12 21.39 3ddh s ALA 125 CO 0.08 -1.39 0.20 -0.08 0.00 0.00 0.00 175.76 174.57 3ddh s THR 126 N 1.30 0.05 0.84 0.00 -1.32 -0.71 -3.92 115.64 111.88 3ddh s THR 126 Ca 0.01 -0.45 -0.12 0.00 -1.21 0.00 0.00 61.69 59.92 3ddh s THR 126 Cb -0.19 -0.45 0.12 0.00 -1.51 0.00 0.00 72.50 70.47 3ddh s THR 126 CO -0.10 -0.25 1.19 -0.54 -2.21 0.00 0.00 174.62 172.72 3ddh s LYS 127 N -0.95 1.57 0.00 7.08 1.02 -1.26 -4.11 119.74 123.08 3ddh s LYS 127 Ca -0.10 -0.17 0.00 0.00 0.02 0.00 0.00 55.97 55.72 3ddh s LYS 127 Cb -0.05 -1.97 0.00 0.00 -0.52 0.00 0.00 37.83 35.29 3ddh s LYS 127 CO 0.02 -1.80 0.00 0.41 -0.92 0.00 0.00 175.35 173.06 3ddh n GLY 128 N -3.38 -0.89 3.73 -3.33 0.00 -1.26 -4.97 105.19 95.09 3ddh n GLY 128 Ca 0.11 -2.16 -0.41 0.00 0.00 0.00 0.00 46.02 43.55 3ddh n GLY 128 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ddh s ASP 129 N -4.00 7.18 0.14 1.61 1.01 -1.26 -4.91 116.67 116.44 3ddh s ASP 129 Ca 0.00 2.07 -0.17 0.00 0.71 0.00 0.00 52.55 55.16 3ddh s ASP 129 Cb 0.00 -2.59 -0.01 0.00 1.01 0.00 0.00 42.92 41.33 3ddh s ASP 129 CO 0.00 -0.33 1.79 0.25 0.21 0.00 0.00 175.17 177.09 3ddh h LEU 130 N 5.76 0.42 -0.57 1.23 5.85 -1.97 -1.52 115.31 124.51 3ddh h LEU 130 Ca -0.43 -0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.15 3ddh h LEU 130 Cb 1.21 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.12 3ddh h LEU 130 CO 0.76 0.33 -0.05 0.25 -0.34 0.00 0.00 178.44 179.39 3ddh h LEU 131 N 0.47 1.03 -0.26 2.25 5.85 -1.99 -1.51 115.31 121.15 3ddh h LEU 131 Ca 0.13 -0.33 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 3ddh h LEU 131 Cb -0.02 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.72 3ddh h LEU 131 CO -0.03 1.11 0.11 -0.78 -0.34 0.00 0.00 178.44 178.51 3ddh h ASP 132 N 0.93 0.35 -0.08 1.25 3.58 -1.92 0.14 116.42 120.67 3ddh h ASP 132 Ca 0.16 -0.16 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 3ddh h ASP 132 Cb 0.61 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.55 3ddh h ASP 132 CO 0.04 0.42 -0.18 1.56 -2.88 0.00 0.00 179.24 178.19 3ddh h GLN 133 N 0.27 0.46 -0.45 0.28 1.08 -1.17 0.58 115.11 116.15 3ddh h GLN 133 Ca 0.09 -0.15 -0.10 0.00 -1.45 0.00 0.00 58.65 57.04 3ddh h GLN 133 Cb 0.17 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 3ddh h GLN 133 CO -0.01 0.63 -0.12 0.93 -0.95 0.00 0.00 178.83 179.31 3ddh h GLU 134 N 0.42 0.88 -0.64 1.46 5.08 -0.99 -2.13 114.58 118.66 3ddh h GLU 134 Ca 0.07 -0.34 -0.04 0.00 -1.00 0.00 0.00 59.36 58.05 3ddh h GLU 134 Cb 0.56 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 3ddh h GLU 134 CO 0.04 0.99 0.24 -0.91 -1.00 0.00 0.00 179.01 178.36 3ddh h ASN 135 N 0.71 0.89 -0.22 1.42 2.35 -0.05 -0.89 115.58 119.80 3ddh h ASN 135 Ca 0.11 -0.18 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3ddh h ASN 135 Cb 0.67 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 3ddh h ASN 135 CO 0.05 0.83 0.14 0.11 -1.65 0.00 0.00 177.43 176.91 3ddh h LYS 136 N 0.90 0.28 -0.65 0.81 1.57 -0.86 -0.16 116.57 118.48 3ddh h LYS 136 Ca 0.21 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3ddh h LYS 136 Cb 0.23 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 3ddh h LYS 136 CO -0.01 0.19 0.39 1.25 -0.57 0.00 0.00 179.45 180.69 3ddh h LEU 137 N 0.29 0.78 -0.34 2.94 5.85 -1.13 -0.74 115.31 122.97 3ddh h LEU 137 Ca 0.08 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.74 3ddh h LEU 137 Cb -0.03 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 3ddh h LEU 137 CO -0.02 0.62 0.22 -0.33 -0.34 0.00 0.00 178.44 178.58 3ddh h GLU 138 N 0.88 0.43 0.00 1.25 4.39 -0.92 -2.31 114.58 118.31 3ddh h GLU 138 Ca 0.23 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.91 3ddh h GLU 138 Cb -0.02 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.54 3ddh h GLU 138 CO -0.04 0.29 0.00 0.00 -1.16 0.00 0.00 179.01 178.09 3ddh h ARG 139 N 0.44 0.00 0.00 2.33 3.08 -0.49 -2.99 114.38 116.76 3ddh h ARG 139 Ca 0.13 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 3ddh h ARG 139 Cb -0.04 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 3ddh h ARG 139 CO -0.03 0.00 -0.04 0.66 -1.07 0.00 0.00 179.97 179.49 3ddh h SER 140 N 0.00 0.00 0.00 7.04 4.64 -0.55 -3.46 113.55 121.22 3ddh h SER 140 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ddh h SER 140 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 3ddh h SER 140 CO 0.00 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 3ddh n GLY 141 N 0.91 1.35 0.10 -0.77 0.00 -1.13 -4.91 105.19 100.75 3ddh n GLY 141 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.17 3ddh n GLY 141 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3ddh n LEU 142 N 0.00 0.88 -0.29 0.99 4.77 -1.25 -4.47 117.00 117.63 3ddh n LEU 142 Ca 0.00 -0.25 0.14 0.00 -0.03 0.00 0.00 56.01 55.87 3ddh n LEU 142 Cb 0.00 -0.14 0.39 0.00 -2.33 0.00 0.00 43.42 41.34 3ddh n LEU 142 CO 0.00 0.19 1.22 -1.28 -1.33 0.00 0.00 177.39 176.19 3ddh h SER 143 N 0.48 0.65 0.00 -1.43 0.87 -1.87 -0.20 113.55 112.04 3ddh h SER 143 Ca 0.00 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 3ddh h SER 143 Cb 0.53 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 3ddh h SER 143 CO 0.00 0.29 0.12 -0.65 -0.53 0.00 0.00 176.83 176.05 3ddh h PRO 144 N 0.66 0.00 0.00 2.24 0.11 -1.94 -2.41 132.00 130.66 3ddh h PRO 144 Ca 0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.60 3ddh h PRO 144 Cb 0.87 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3ddh h PRO 144 CO -0.25 0.00 -0.76 0.66 -0.21 0.00 0.00 178.00 177.44 3ddh n TYR 145 N -2.99 0.11 -4.41 0.65 4.01 -0.09 -4.89 117.16 109.56 3ddh n TYR 145 Ca -0.03 0.03 -0.34 0.00 -0.16 0.00 0.00 57.90 57.40 3ddh n TYR 145 Cb 0.18 -0.28 -0.11 0.00 -0.31 0.00 0.00 39.34 38.82 3ddh n TYR 145 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 3ddh s PHE 146 N -3.07 3.07 -0.44 -0.72 0.08 -0.91 -4.66 117.98 111.34 3ddh s PHE 146 Ca 0.08 -0.04 0.23 0.00 0.12 0.00 0.00 56.93 57.33 3ddh s PHE 146 Cb 0.16 -1.86 0.34 0.00 -0.57 0.00 0.00 43.02 41.09 3ddh s PHE 146 CO 0.77 0.23 1.56 -0.44 -0.10 0.00 0.00 175.22 177.23 3ddh h ASP 147 N 5.88 0.00 -2.28 1.36 3.32 -1.30 -3.48 116.42 119.92 3ddh h ASP 147 Ca -0.42 -0.00 0.17 0.00 0.02 0.00 0.00 57.03 56.80 3ddh h ASP 147 Cb 1.19 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 40.42 3ddh h ASP 147 CO 0.58 0.00 0.68 -2.28 -1.72 0.00 0.00 179.24 176.50 3ddh s HIS 148 N -3.22 -0.21 -0.23 4.55 5.04 -1.24 -5.05 115.29 114.93 3ddh s HIS 148 Ca 0.06 0.44 -0.12 0.00 -1.54 0.00 0.00 55.06 53.90 3ddh s HIS 148 Cb 0.06 0.24 -0.05 0.00 0.04 0.00 0.00 32.58 32.87 3ddh s HIS 148 CO 0.68 -0.10 0.24 0.42 -2.34 0.00 0.00 174.74 173.63 3ddh s ILE 149 N 0.79 5.31 -0.40 0.89 1.01 -1.26 -1.91 121.20 125.63 3ddh s ILE 149 Ca -0.04 0.35 -0.10 0.00 0.00 0.00 0.00 60.65 60.87 3ddh s ILE 149 Cb -0.03 -3.57 0.06 0.00 0.01 0.00 0.00 42.46 38.92 3ddh s ILE 149 CO -0.12 0.32 0.23 -0.70 0.00 0.00 0.00 174.94 174.66 3ddh s GLU 150 N 1.11 2.69 0.74 2.79 2.56 0.13 -4.96 118.70 123.76 3ddh s GLU 150 Ca 0.11 -1.30 -0.05 0.00 0.00 0.00 0.00 54.97 53.74 3ddh s GLU 150 Cb -0.14 -3.73 0.12 0.00 2.00 0.00 0.00 34.13 32.37 3ddh s GLU 150 CO 0.05 -0.84 1.04 0.08 -0.56 0.00 0.00 175.26 175.03 3ddh s VAL 151 N 1.47 2.20 0.00 3.70 1.01 -1.26 -1.74 120.40 125.78 3ddh s VAL 151 Ca 0.02 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.58 3ddh s VAL 151 Cb -0.21 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.38 3ddh s VAL 151 CO 0.04 0.00 0.00 -1.54 0.00 0.00 0.00 175.10 173.60 3ddh n SER 153 N -2.97 3.75 -3.53 3.32 3.41 -1.26 -4.94 113.62 111.40 3ddh n SER 153 Ca 0.13 -0.01 -0.07 0.00 -0.26 0.00 0.00 58.87 58.66 3ddh n SER 153 Cb 0.60 0.77 -0.00 0.00 -0.26 0.00 0.00 64.21 65.32 3ddh n SER 153 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3ddh s ASP 154 N -1.52 -0.16 -0.61 4.04 -1.08 -1.26 -4.80 116.67 111.28 3ddh s ASP 154 Ca 0.00 -0.76 0.06 0.00 -0.52 0.00 0.00 52.55 51.33 3ddh s ASP 154 Cb 0.00 0.73 0.26 0.00 -1.46 0.00 0.00 42.92 42.45 3ddh s ASP 154 CO 0.00 -1.39 0.74 0.29 0.52 0.00 0.00 175.17 175.33 3ddh n LYS 155 N -0.50 2.41 -4.41 4.34 5.02 -1.26 -4.72 118.16 119.05 3ddh n LYS 155 Ca -0.06 -4.55 -0.26 0.00 -2.02 0.00 0.00 58.31 51.42 3ddh n LYS 155 Cb 0.59 -2.16 -0.09 0.00 -0.02 0.00 0.00 35.03 33.35 3ddh n LYS 155 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3ddh s THR 156 N -2.52 2.15 0.31 -0.18 -4.23 -1.26 -4.77 115.64 105.14 3ddh s THR 156 Ca 0.40 -1.88 0.07 0.00 -1.18 0.00 0.00 61.69 59.11 3ddh s THR 156 Cb 0.16 -2.99 0.31 0.00 1.34 0.00 0.00 72.50 71.32 3ddh s THR 156 CO -0.03 -0.01 1.78 -0.33 -0.54 0.00 0.00 174.62 175.50 3ddh h GLU 157 N 1.63 0.72 -0.41 3.99 5.08 -1.96 -1.57 114.58 122.06 3ddh h GLU 157 Ca -0.43 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 57.94 3ddh h GLU 157 Cb 1.25 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 30.28 3ddh h GLU 157 CO 0.76 0.48 0.13 -0.22 -1.00 0.00 0.00 179.01 179.15 3ddh h LYS 158 N 0.74 0.27 -0.02 2.33 3.64 -1.97 -0.12 116.57 121.43 3ddh h LYS 158 Ca 0.57 -0.02 -0.19 0.00 -1.27 0.00 0.00 60.65 59.74 3ddh h LYS 158 Cb 0.92 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.67 3ddh h LYS 158 CO -0.36 0.18 -0.82 0.93 -2.27 0.00 0.00 179.45 177.10 3ddh h GLU 159 N 0.28 0.29 -0.37 1.90 4.39 -1.63 -2.62 114.58 116.83 3ddh h GLU 159 Ca 0.19 -0.28 -0.07 0.00 0.34 0.00 0.00 59.36 59.54 3ddh h GLU 159 Cb 0.20 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 3ddh h GLU 159 CO -0.21 0.97 -0.07 1.88 -1.16 0.00 0.00 179.01 180.42 3ddh h TYR 160 N 0.18 0.65 -0.74 4.33 0.05 -0.92 -1.76 116.97 118.76 3ddh h TYR 160 Ca -0.04 -0.09 -0.02 0.00 0.05 0.00 0.00 58.73 58.62 3ddh h TYR 160 Cb 1.43 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 38.95 3ddh h TYR 160 CO 0.04 0.66 0.39 -0.07 -1.05 0.00 0.00 178.16 178.13 3ddh h LEU 161 N 0.57 0.94 -0.36 3.88 3.38 -0.87 -0.42 115.31 122.43 3ddh h LEU 161 Ca 0.11 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 58.04 3ddh h LEU 161 Cb 0.46 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 3ddh h LEU 161 CO 0.02 0.78 -0.07 -0.09 0.09 0.00 0.00 178.44 179.18 3ddh h ARG 162 N 1.03 0.02 -0.14 1.13 2.43 -1.17 -0.09 114.38 117.58 3ddh h ARG 162 Ca 0.26 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.43 3ddh h ARG 162 Cb 0.07 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 3ddh h ARG 162 CO -0.04 0.01 0.08 1.25 -1.51 0.00 0.00 179.97 179.76 3ddh h LEU 163 N 0.02 0.13 -0.83 3.80 5.85 -0.85 0.39 115.31 123.81 3ddh h LEU 163 Ca 0.18 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.95 3ddh h LEU 163 Cb 0.27 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 3ddh h LEU 163 CO -0.36 0.10 0.52 -0.07 -0.34 0.00 0.00 178.44 178.29 3ddh h LEU 164 N 0.17 0.82 -0.33 2.25 3.38 -0.92 0.17 115.31 120.85 3ddh h LEU 164 Ca 0.05 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.00 3ddh h LEU 164 Cb -0.01 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3ddh h LEU 164 CO -0.02 0.53 0.05 -1.28 0.09 0.00 0.00 178.44 177.80 3ddh h SER 165 N 0.95 0.53 -0.60 -0.43 0.87 -0.72 0.15 113.55 114.31 3ddh h SER 165 Ca 0.36 -0.27 -0.02 0.00 -1.23 0.00 0.00 61.79 60.64 3ddh h SER 165 Cb 0.15 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.94 3ddh h SER 165 CO -0.16 0.66 0.31 0.40 -0.53 0.00 0.00 176.83 177.51 3ddh h ILE 166 N 0.38 1.20 0.00 2.23 2.04 -0.59 -2.00 117.51 120.77 3ddh h ILE 166 Ca 0.10 -0.53 0.00 0.00 1.00 0.00 0.00 64.86 65.43 3ddh h ILE 166 Cb 0.36 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 3ddh h ILE 166 CO 0.01 0.22 0.00 0.18 0.00 0.00 0.00 178.15 178.56 3ddh n LEU 167 N -4.56 0.69 -3.54 1.44 4.77 0.57 -4.92 117.00 111.45 3ddh n LEU 167 Ca 0.04 0.62 -0.20 0.00 -0.03 0.00 0.00 56.01 56.44 3ddh n LEU 167 Cb 0.10 -0.47 0.07 0.00 -2.33 0.00 0.00 43.42 40.79 3ddh n LEU 167 CO 0.37 -0.39 0.11 0.00 -1.33 0.00 0.00 177.39 176.15 3ddh n GLN 168 N -2.21 -6.54 -4.33 3.23 6.02 0.45 -5.03 117.38 108.97 3ddh n GLN 168 Ca 0.04 0.79 -0.17 0.00 -0.01 0.00 0.00 57.00 57.64 3ddh n GLN 168 Cb 0.31 -5.73 -0.10 0.00 1.02 0.00 0.00 30.24 25.74 3ddh n GLN 168 CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 3ddh s ILE 169 N -3.40 0.83 0.44 5.09 -4.36 -0.75 -5.04 121.20 114.00 3ddh s ILE 169 Ca 0.16 -2.01 -0.12 0.00 -0.26 0.00 0.00 60.65 58.43 3ddh s ILE 169 Cb -0.07 -2.50 -0.07 0.00 1.25 0.00 0.00 42.46 41.07 3ddh s ILE 169 CO 0.75 -0.16 0.82 0.00 0.24 0.00 0.00 174.94 176.59 3ddh s ALA 170 N -3.56 3.28 0.24 2.27 0.00 -1.26 -4.60 121.76 118.13 3ddh s ALA 170 Ca 0.33 -0.13 -0.04 0.00 0.00 0.00 0.00 51.96 52.12 3ddh s ALA 170 Cb 0.07 -2.80 0.45 0.00 0.00 0.00 0.00 23.12 20.85 3ddh s ALA 170 CO 0.11 -0.09 1.73 -1.35 0.00 0.00 0.00 175.76 176.16 3ddh h PRO 171 N 1.10 0.44 -0.09 0.00 0.11 -1.89 0.20 132.00 131.85 3ddh h PRO 171 Ca -0.47 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.64 3ddh h PRO 171 Cb 1.19 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 3ddh h PRO 171 CO 0.63 0.29 0.43 1.03 -0.21 0.00 0.00 178.00 180.17 3ddh h SER 172 N 0.45 0.00 -0.21 -2.05 0.87 -1.86 -1.65 113.55 109.10 3ddh h SER 172 Ca 0.41 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.97 3ddh h SER 172 Cb 0.62 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 3ddh h SER 172 CO -0.40 0.00 0.00 -0.62 -0.53 0.00 0.00 176.83 175.28 3ddh n GLU 173 N -3.01 2.41 -4.00 2.24 1.02 0.68 -4.55 120.64 115.44 3ddh n GLU 173 Ca 0.00 -2.09 -0.34 0.00 -0.02 0.00 0.00 57.16 54.71 3ddh n GLU 173 Cb 0.50 -1.49 -0.10 0.00 -0.02 0.00 0.00 31.44 30.33 3ddh n GLU 173 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3ddh s LEU 174 N -1.74 3.82 0.00 -4.62 2.96 -0.62 -0.79 118.68 117.69 3ddh s LEU 174 Ca 0.34 0.08 0.03 0.00 -0.22 0.00 0.00 54.13 54.36 3ddh s LEU 174 Cb 0.21 -1.97 0.03 0.00 0.50 0.00 0.00 46.19 44.97 3ddh s LEU 174 CO 0.31 0.17 0.25 -0.11 -1.32 0.00 0.00 176.35 175.65 3ddh n LEU 175 N 3.54 0.00 -3.47 -0.68 7.94 -0.53 -1.29 117.00 122.51 3ddh n LEU 175 Ca -0.17 -2.20 0.03 0.00 -1.11 0.00 0.00 56.01 52.57 3ddh n LEU 175 Cb 0.52 0.03 -0.05 0.00 0.53 0.00 0.00 43.42 44.45 3ddh n LEU 175 CO 0.35 -0.47 0.98 -0.69 -1.11 0.00 0.00 177.39 176.45 3ddh s VAL 177 N -2.11 -0.02 -0.09 1.96 1.01 0.16 -0.61 120.40 120.71 3ddh s VAL 177 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 61.98 61.85 3ddh s VAL 177 Cb -0.01 -1.00 0.12 0.00 0.00 0.00 0.00 36.38 35.48 3ddh s VAL 177 CO 0.12 0.00 1.05 -0.83 0.00 0.00 0.00 175.10 175.44 3ddh s GLY 178 N 1.42 -0.38 0.27 4.51 0.00 -0.89 -1.03 107.32 111.22 3ddh s GLY 178 Ca -0.05 1.29 0.24 0.00 0.00 0.00 0.00 44.72 46.20 3ddh s GLY 178 CO -0.12 0.43 1.59 3.45 0.00 0.00 0.00 173.10 178.45 3ddh h ASN 179 N 2.00 0.00 -3.60 1.64 -1.07 -1.81 -1.85 115.58 110.89 3ddh h ASN 179 Ca -0.16 -0.03 -0.70 0.00 0.07 0.00 0.00 56.30 55.48 3ddh h ASN 179 Cb 1.20 0.00 -0.23 0.00 -2.07 0.00 0.00 38.32 37.22 3ddh h ASN 179 CO 0.27 0.02 -0.51 -0.55 0.07 0.00 0.00 177.43 176.72 3ddh s SER 180 N -5.12 5.75 0.17 6.14 0.15 -1.26 -4.48 113.70 115.05 3ddh s SER 180 Ca 0.08 -0.82 -0.13 0.00 0.70 0.00 0.00 55.95 55.78 3ddh s SER 180 Cb 0.10 -2.04 0.07 0.00 -1.71 0.00 0.00 66.02 62.44 3ddh s SER 180 CO 0.66 -0.33 1.77 0.15 1.20 0.00 0.00 173.24 176.68 3ddh h PHE 181 N 8.44 0.80 -0.49 3.44 3.57 -1.96 0.15 116.94 130.89 3ddh h PHE 181 Ca -0.28 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.15 3ddh h PHE 181 Cb 1.12 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.59 3ddh h PHE 181 CO 0.59 0.60 0.15 0.87 -2.23 0.00 0.00 178.31 178.29 3ddh h LYS 182 N 0.77 0.76 0.04 1.11 6.56 -1.96 0.12 116.57 123.97 3ddh h LYS 182 Ca 0.20 -0.17 -0.38 0.00 -1.06 0.00 0.00 60.65 59.24 3ddh h LYS 182 Cb 0.08 -0.11 -0.05 0.00 -0.57 0.00 0.00 32.23 31.58 3ddh h LYS 182 CO -0.03 0.72 -2.34 0.43 -2.06 0.00 0.00 179.45 176.17 3ddh n SER 183 N -4.51 2.02 0.05 0.86 7.64 -1.16 -4.29 113.62 114.23 3ddh n SER 183 Ca 0.01 -0.03 -0.21 0.00 1.01 0.00 0.00 58.87 59.66 3ddh n SER 183 Cb 0.19 -0.55 -0.14 0.00 -1.01 0.00 0.00 64.21 62.70 3ddh n SER 183 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 3ddh h ASP 184 N -0.01 0.49 0.00 6.43 3.32 -0.86 -3.43 116.42 122.35 3ddh h ASP 184 Ca -0.54 -0.82 -0.17 0.00 0.02 0.00 0.00 57.03 55.53 3ddh h ASP 184 Cb 1.93 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 41.29 3ddh h ASP 184 CO -0.05 1.70 -1.44 -0.38 -1.72 0.00 0.00 179.24 177.36 3ddh n ILE 185 N -3.51 1.35 -0.16 0.35 2.08 -1.03 -4.39 119.36 114.05 3ddh n ILE 185 Ca -0.25 -0.03 -0.03 0.00 0.56 0.00 0.00 62.75 63.00 3ddh n ILE 185 Cb 1.06 -2.02 0.06 0.00 -0.75 0.00 0.00 39.64 37.99 3ddh n ILE 185 CO 0.00 0.00 0.00 -0.61 0.56 0.00 0.00 176.55 176.50 3ddh h GLN 186 N -0.80 0.41 -0.81 0.38 5.75 -0.96 -1.46 115.11 117.62 3ddh h GLN 186 Ca -0.25 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.22 3ddh h GLN 186 Cb 1.10 -0.09 -0.04 0.00 1.07 0.00 0.00 27.48 29.52 3ddh h GLN 186 CO -0.15 0.27 0.48 -1.35 -2.65 0.00 0.00 178.83 175.43 3ddh h PRO 187 N 0.42 1.10 -0.29 -2.39 0.11 -1.83 -0.32 132.00 128.80 3ddh h PRO 187 Ca 0.23 -0.10 -0.06 0.00 0.11 0.00 0.00 66.00 66.18 3ddh h PRO 187 Cb 0.21 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 3ddh h PRO 187 CO -0.21 0.77 -0.07 0.28 -0.21 0.00 0.00 178.00 178.57 3ddh h VAL 188 N 1.12 1.28 -0.65 3.15 2.07 -1.65 -2.50 116.25 119.06 3ddh h VAL 188 Ca 0.29 -1.09 0.06 0.00 0.82 0.00 0.00 66.70 66.78 3ddh h VAL 188 Cb -0.04 1.39 -0.06 0.00 -1.52 0.00 0.00 31.29 31.06 3ddh h VAL 188 CO -0.05 0.35 0.35 -0.07 0.02 0.00 0.00 177.57 178.16 3ddh h LEU 189 N 0.33 0.51 -1.95 2.57 3.38 -0.97 0.96 115.31 120.13 3ddh h LEU 189 Ca 0.07 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3ddh h LEU 189 Cb 0.54 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 3ddh h LEU 189 CO 0.03 0.32 -0.09 0.28 0.09 0.00 0.00 178.44 179.08 3ddh h SER 190 N 0.64 0.00 0.80 -0.43 0.02 -0.85 -1.89 113.55 111.85 3ddh h SER 190 Ca 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 3ddh h SER 190 Cb 0.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.75 3ddh h SER 190 CO -0.20 0.09 -0.45 0.18 -1.14 0.00 0.00 176.83 175.31 3ddh n LEU 191 N -3.44 0.54 0.00 5.07 4.77 -0.88 -4.92 117.00 118.14 3ddh n LEU 191 Ca -0.01 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.18 3ddh n LEU 191 Cb 0.24 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3ddh n LEU 191 CO 0.28 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.96 3ddh n GLY 192 N 1.42 0.93 3.44 -0.72 0.00 -0.71 -4.77 105.19 104.78 3ddh n GLY 192 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 3ddh n GLY 192 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ddh n GLY 193 N -0.67 0.02 3.77 -0.02 0.00 0.28 -3.43 105.19 105.14 3ddh n GLY 193 Ca 0.00 -1.93 -0.26 0.00 0.00 0.00 0.00 46.02 43.83 3ddh n GLY 193 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ddh s TYR 194 N -2.98 3.08 0.01 1.61 1.51 -0.41 -4.14 117.35 116.03 3ddh s TYR 194 Ca 0.61 -0.05 0.01 0.00 -1.01 0.00 0.00 57.07 56.63 3ddh s TYR 194 Cb -0.03 -1.47 -0.01 0.00 -0.11 0.00 0.00 41.96 40.34 3ddh s TYR 194 CO 0.41 0.52 -0.04 0.20 -1.11 0.00 0.00 175.55 175.54 3ddh s GLY 195 N -3.12 0.23 -0.22 0.71 0.00 -0.52 -4.20 107.32 100.20 3ddh s GLY 195 Ca 0.30 -0.32 0.01 0.00 0.00 0.00 0.00 44.72 44.72 3ddh s GLY 195 CO 0.22 -0.33 -0.11 0.14 0.00 0.00 0.00 173.10 173.02 3ddh s VAL 196 N -0.53 1.84 -0.22 1.40 1.01 -1.26 -1.34 120.40 121.30 3ddh s VAL 196 Ca -0.04 -1.20 -0.20 0.00 0.00 0.00 0.00 61.98 60.54 3ddh s VAL 196 Cb -0.04 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 3ddh s VAL 196 CO -0.00 0.14 0.62 -2.28 0.00 0.00 0.00 175.10 173.58 3ddh s HIS 197 N 1.30 3.34 -0.42 5.22 2.46 -0.26 -2.10 115.29 124.82 3ddh s HIS 197 Ca -0.03 0.87 0.03 0.00 0.47 0.00 0.00 55.06 56.40 3ddh s HIS 197 Cb -0.17 -2.81 0.12 0.00 -0.13 0.00 0.00 32.58 29.59 3ddh s HIS 197 CO -0.08 -0.23 0.16 -1.50 -2.47 0.00 0.00 174.74 170.62 3ddh s ILE 198 N 2.14 2.12 0.36 0.89 2.07 -0.69 -1.16 121.20 126.93 3ddh s ILE 198 Ca 0.27 -2.64 -0.28 0.00 -1.41 0.00 0.00 60.65 56.59 3ddh s ILE 198 Cb -0.16 -2.52 -0.11 0.00 0.13 0.00 0.00 42.46 39.81 3ddh s ILE 198 CO 0.09 -0.72 1.48 -2.84 -1.91 0.00 0.00 174.94 171.04 3ddh s PRO 199 N 0.46 4.13 -0.19 3.50 0.02 -1.26 -3.77 135.00 137.89 3ddh s PRO 199 Ca 0.14 2.54 -0.21 0.00 0.02 0.00 0.00 61.00 63.49 3ddh s PRO 199 Cb -0.22 -2.98 -0.02 0.00 0.02 0.00 0.00 34.50 31.29 3ddh s PRO 199 CO -0.06 -0.51 0.65 0.12 -0.33 0.00 0.00 177.00 176.87 3ddh s PHE 200 N -1.01 3.38 -0.74 6.54 5.36 -1.26 -4.97 117.98 125.29 3ddh s PHE 200 Ca 0.53 0.97 0.12 0.00 -0.96 0.00 0.00 56.93 57.59 3ddh s PHE 200 Cb -0.46 -2.82 -0.09 0.00 -0.34 0.00 0.00 43.02 39.31 3ddh s PHE 200 CO 0.61 -0.17 0.57 0.39 -1.46 0.00 0.00 175.22 175.16 3ddh n GLU 201 N 5.03 2.72 0.00 10.12 -0.58 -1.26 -4.97 120.64 131.70 3ddh n GLU 201 Ca -0.01 -0.20 0.00 0.00 -0.42 0.00 0.00 57.16 56.53 3ddh n GLU 201 Cb 0.50 -1.09 0.00 0.00 -0.57 0.00 0.00 31.44 30.27 3ddh n GLU 201 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3ddh n VAL 202 N -0.97 0.00 0.00 2.62 0.31 -1.26 -4.71 118.33 114.32 3ddh n VAL 202 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 3ddh n VAL 202 Cb 0.21 -1.25 0.00 0.00 -0.91 0.00 0.00 33.84 31.89 3ddh n VAL 202 CO 0.00 0.00 0.00 0.79 -1.32 0.00 0.00 176.83 176.30 3ddh n TRP 204 N 2.65 0.00 -2.26 3.52 7.02 -1.26 -5.05 117.44 122.06 3ddh n TRP 204 Ca 0.00 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.12 3ddh n TRP 204 Cb 0.00 0.00 -0.00 0.00 -2.42 0.00 0.00 31.31 28.89 3ddh n TRP 204 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 3ddh s LYS 205 N 0.00 3.56 -1.01 -0.99 1.02 -1.26 -4.76 119.74 116.30 3ddh s LYS 205 Ca 0.00 1.69 -0.26 0.00 0.02 0.00 0.00 55.97 57.42 3ddh s LYS 205 Cb 0.00 -2.20 -0.17 0.00 -0.52 0.00 0.00 37.83 34.94 3ddh s LYS 205 CO 0.00 -0.70 2.15 -1.01 -0.92 0.00 0.00 175.35 174.87 3ddh s HIS 206 N -1.66 1.35 0.00 3.18 3.76 -1.26 -5.22 115.29 115.44 3ddh s HIS 206 Ca 0.68 1.83 0.00 0.00 -0.15 0.00 0.00 55.06 57.42 3ddh s HIS 206 Cb -0.26 -3.51 0.00 0.00 1.11 0.00 0.00 32.58 29.92 3ddh s HIS 206 CO 0.31 -1.06 0.00 0.39 -0.85 0.00 0.00 174.74 173.53 3ddh n GLU 207 N 8.41 0.00 0.00 1.40 -0.58 -1.26 -5.37 120.64 123.24 3ddh n GLU 207 Ca 0.43 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.17 3ddh n GLU 207 Cb 0.46 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.33 3ddh n GLU 207 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3ddh n THR 211 N 0.00 0.00 -4.05 2.62 -1.04 -1.26 -5.11 114.28 105.44 3ddh n THR 211 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.87 3ddh n THR 211 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 3ddh n THR 211 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 3ddh s PHE 212 N -2.70 0.95 0.05 -1.42 -0.12 -1.26 -5.15 117.98 108.33 3ddh s PHE 212 Ca 0.00 -1.24 -0.12 0.00 -0.05 0.00 0.00 56.93 55.52 3ddh s PHE 212 Cb 0.00 0.04 -0.06 0.00 -0.63 0.00 0.00 43.02 42.37 3ddh s PHE 212 CO 0.00 -1.20 0.40 0.00 -0.05 0.00 0.00 175.22 174.37 3ddh s ALA 213 N -2.92 3.71 -0.02 1.99 0.00 -1.26 -5.06 121.76 118.20 3ddh s ALA 213 Ca 0.29 -0.32 -0.10 0.00 0.00 0.00 0.00 51.96 51.82 3ddh s ALA 213 Cb -0.01 -2.31 0.01 0.00 0.00 0.00 0.00 23.12 20.81 3ddh s ALA 213 CO 0.19 0.53 0.21 -1.58 0.00 0.00 0.00 175.76 175.12 3ddh s HIS 214 N -1.29 -0.08 0.26 0.00 2.46 -1.26 -5.06 115.29 110.32 3ddh s HIS 214 Ca 0.30 0.11 -0.02 0.00 0.47 0.00 0.00 55.06 55.92 3ddh s HIS 214 Cb -0.15 0.02 0.49 0.00 -0.13 0.00 0.00 32.58 32.82 3ddh s HIS 214 CO 0.16 -0.30 1.79 1.49 -2.47 0.00 0.00 174.74 175.41 3ddh h GLU 215 N 4.34 0.70 -0.51 2.88 4.57 -2.01 -2.33 114.58 122.22 3ddh h GLU 215 Ca -0.30 -0.04 -0.07 0.00 -1.18 0.00 0.00 59.36 57.77 3ddh h GLU 215 Cb 1.19 -0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 29.58 3ddh h GLU 215 CO 0.40 0.46 0.07 0.54 -1.18 0.00 0.00 179.01 179.30 3ddh n ARG 216 N -4.80 3.80 -4.76 1.92 1.74 -1.26 -4.95 116.66 108.36 3ddh n ARG 216 Ca 0.16 -3.05 -0.33 0.00 -0.77 0.00 0.00 57.85 53.86 3ddh n ARG 216 Cb 0.37 -2.10 -0.13 0.00 -1.02 0.00 0.00 32.46 29.58 3ddh n ARG 216 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3ddh s LEU 217 N -2.89 2.85 -0.05 0.55 2.96 -0.88 -1.44 118.68 119.79 3ddh s LEU 217 Ca 0.51 -0.21 0.06 0.00 -0.22 0.00 0.00 54.13 54.27 3ddh s LEU 217 Cb 0.40 -1.62 -0.01 0.00 0.50 0.00 0.00 46.19 45.46 3ddh s LEU 217 CO 0.12 0.26 -0.24 -0.54 -1.32 0.00 0.00 176.35 174.64 3ddh s LYS 218 N -0.23 2.29 -0.17 1.98 -0.14 -0.45 -4.65 119.74 118.37 3ddh s LYS 218 Ca 0.02 -0.85 -0.07 0.00 -1.36 0.00 0.00 55.97 53.70 3ddh s LYS 218 Cb -0.13 -2.01 -0.04 0.00 -1.68 0.00 0.00 37.83 33.97 3ddh s LYS 218 CO 0.03 0.40 0.05 -1.14 -0.76 0.00 0.00 175.35 173.93 3ddh s GLN 219 N -0.24 3.88 0.26 1.68 0.74 -1.26 -1.10 119.66 123.62 3ddh s GLN 219 Ca -0.00 -0.35 0.05 0.00 0.05 0.00 0.00 55.36 55.11 3ddh s GLN 219 Cb -0.12 -3.17 -0.06 0.00 1.10 0.00 0.00 33.01 30.76 3ddh s GLN 219 CO 0.02 0.32 -0.04 0.14 -0.55 0.00 0.00 175.29 175.18 3ddh s VAL 220 N 0.24 1.42 -0.11 1.34 -7.23 -0.31 -4.95 120.40 110.81 3ddh s VAL 220 Ca 0.03 -2.09 0.14 0.00 -1.81 0.00 0.00 61.98 58.26 3ddh s VAL 220 Cb -0.12 -2.41 -0.24 0.00 0.56 0.00 0.00 36.38 34.17 3ddh s VAL 220 CO 0.01 -0.31 0.41 1.17 -0.31 0.00 0.00 175.10 176.06 3ddh n LYS 221 N -0.52 0.66 -3.98 4.82 4.81 -1.26 -4.23 118.16 118.46 3ddh n LYS 221 Ca -0.05 0.18 -0.14 0.00 -0.87 0.00 0.00 58.31 57.42 3ddh n LYS 221 Cb 0.64 -1.68 -0.14 0.00 0.02 0.00 0.00 35.03 33.86 3ddh n LYS 221 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 3ddh s ARG 222 N -2.55 0.17 0.35 1.64 3.52 -1.26 -4.84 118.95 115.98 3ddh s ARG 222 Ca -0.08 -0.06 0.07 0.00 -0.13 0.00 0.00 55.73 55.54 3ddh s ARG 222 Cb 0.07 -0.19 0.76 0.00 -1.56 0.00 0.00 34.95 34.04 3ddh s ARG 222 CO 0.82 0.03 1.89 1.25 -0.81 0.00 0.00 175.30 178.47 3ddh h LEU 223 N 6.22 0.69 -0.69 -0.88 5.85 -1.87 -1.03 115.31 123.60 3ddh h LEU 223 Ca -0.27 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.48 3ddh h LEU 223 Cb 1.20 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.12 3ddh h LEU 223 CO 0.50 0.38 0.00 -0.90 -0.34 0.00 0.00 178.44 178.08 3ddh n ASP 224 N -4.54 0.57 -0.13 1.25 3.85 -1.26 -0.99 116.55 115.30 3ddh n ASP 224 Ca 0.16 0.65 0.23 0.00 -0.71 0.00 0.00 54.79 55.13 3ddh n ASP 224 Cb 0.40 -0.77 0.66 0.00 -1.35 0.00 0.00 41.12 40.06 3ddh n ASP 224 CO 0.00 0.00 0.00 0.44 -1.01 0.00 0.00 177.20 176.63 3ddh h ASP 225 N 0.00 0.09 -0.97 -1.12 3.32 -1.57 -1.37 116.42 114.80 3ddh h ASP 225 Ca 0.00 0.01 0.18 0.00 0.02 0.00 0.00 57.03 57.24 3ddh h ASP 225 Cb 0.31 -0.01 -0.10 0.00 0.22 0.00 0.00 39.33 39.74 3ddh h ASP 225 CO 0.00 0.04 0.57 0.25 -1.72 0.00 0.00 179.24 178.38 3ddh h LEU 226 N 0.10 0.72 -1.02 1.55 5.85 -1.25 -3.02 115.31 118.24 3ddh h LEU 226 Ca 0.38 0.10 0.13 0.00 0.84 0.00 0.00 57.88 59.32 3ddh h LEU 226 Cb 1.34 -0.03 -0.09 0.00 0.37 0.00 0.00 40.66 42.26 3ddh h LEU 226 CO -0.04 0.27 0.63 -0.07 -0.34 0.00 0.00 178.44 178.88 3ddh h LEU 227 N 0.73 0.89 0.00 2.25 3.38 -1.45 -0.76 115.31 120.36 3ddh h LEU 227 Ca 0.55 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.58 3ddh h LEU 227 Cb 0.83 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3ddh h LEU 227 CO -0.38 0.45 -0.17 -1.54 0.09 0.00 0.00 178.44 176.89 3ddh n SER 228 N -4.64 0.73 0.20 -0.43 3.41 -1.14 -2.60 113.62 109.15 3ddh n SER 228 Ca 0.20 0.44 0.09 0.00 -0.26 0.00 0.00 58.87 59.33 3ddh n SER 228 Cb 0.40 -0.51 0.29 0.00 -0.26 0.00 0.00 64.21 64.13 3ddh n SER 228 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3ddh h LEU 229 N 0.00 0.00 -1.86 1.04 3.38 -1.20 -3.25 115.31 113.43 3ddh h LEU 229 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3ddh h LEU 229 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3ddh h LEU 229 CO 0.00 0.24 0.00 0.18 0.09 0.00 0.00 178.44 178.95 3ddh n LEU 230 N -3.26 2.51 -0.30 1.67 4.77 -1.06 -4.67 117.00 116.68 3ddh n LEU 230 Ca 0.01 -1.21 0.04 0.00 -0.03 0.00 0.00 56.01 54.83 3ddh n LEU 230 Cb 0.53 -0.07 0.03 0.00 -2.33 0.00 0.00 43.42 41.58 3ddh n LEU 230 CO 0.35 0.50 0.37 0.61 -1.33 0.00 0.00 177.39 177.89