#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3du3 s LEU 2 N 0.00 2.97 0.64 0.00 1.43 -1.26 -4.44 118.68 118.02 3du3 s LEU 2 Ca 0.00 -0.35 -0.14 0.00 -1.03 0.00 0.00 54.13 52.61 3du3 s LEU 2 Cb 0.00 -1.76 -0.01 0.00 0.03 0.00 0.00 46.19 44.45 3du3 s LEU 2 CO 0.00 0.21 1.07 -0.76 0.23 0.00 0.00 176.35 177.10 3du3 s LEU 3 N -1.90 3.35 0.25 1.79 1.43 -1.26 -4.89 118.68 117.45 3du3 s LEU 3 Ca 0.19 1.78 0.13 0.00 -1.03 0.00 0.00 54.13 55.20 3du3 s LEU 3 Cb -0.11 -4.52 0.68 0.00 0.03 0.00 0.00 46.19 42.27 3du3 s LEU 3 CO 0.11 -1.35 1.31 -1.54 0.23 0.00 0.00 176.35 175.10 3du3 n SER 4 N -2.48 0.33 0.00 2.29 3.41 -1.26 -1.97 113.62 113.93 3du3 n SER 4 Ca 0.09 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.27 3du3 n SER 4 Cb 0.53 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.91 3du3 n SER 4 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 3du3 n PHE 5 N -1.96 0.00 0.06 7.33 1.16 -1.26 -4.85 117.46 117.95 3du3 n PHE 5 Ca -0.01 -0.09 -0.02 0.00 -1.87 0.00 0.00 57.45 55.46 3du3 n PHE 5 Cb 0.19 -0.01 0.25 0.00 -1.61 0.00 0.00 39.48 38.30 3du3 n PHE 5 CO 0.00 0.00 0.00 1.49 -1.87 0.00 0.00 176.76 176.38 3du3 h GLU 6 N 0.00 0.35 -0.61 3.97 4.81 -1.76 -3.35 114.58 117.99 3du3 h GLU 6 Ca 0.00 -0.13 0.07 0.00 -0.13 0.00 0.00 59.36 59.17 3du3 h GLU 6 Cb 0.27 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.57 3du3 h GLU 6 CO 0.00 0.60 0.30 -0.09 -0.73 0.00 0.00 179.01 179.09 3du3 h ARG 7 N 0.32 0.54 0.00 1.92 2.43 -1.89 -0.23 114.38 117.47 3du3 h ARG 7 Ca 0.05 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 3du3 h ARG 7 Cb 0.64 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 3du3 h ARG 7 CO 0.05 0.36 0.00 0.36 -1.51 0.00 0.00 179.97 179.22 3du3 n LYS 8 N -4.87 0.04 0.05 0.20 2.85 -1.26 -1.69 118.16 113.49 3du3 n LYS 8 Ca 0.08 0.39 0.10 0.00 -1.05 0.00 0.00 58.31 57.82 3du3 n LYS 8 Cb 0.20 -1.60 -0.07 0.00 -0.65 0.00 0.00 35.03 32.91 3du3 n LYS 8 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 3du3 n TYR 9 N -1.68 0.59 -1.65 5.58 4.01 -0.11 -4.58 117.16 119.31 3du3 n TYR 9 Ca 0.02 0.17 -0.40 0.00 -0.16 0.00 0.00 57.90 57.53 3du3 n TYR 9 Cb 0.12 -0.80 -0.01 0.00 -0.31 0.00 0.00 39.34 38.34 3du3 n TYR 9 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3du3 n ARG 10 N -2.54 3.58 -4.00 -0.72 1.74 -0.68 -4.90 116.66 109.14 3du3 n ARG 10 Ca -0.03 -2.66 -0.25 0.00 -0.77 0.00 0.00 57.85 54.14 3du3 n ARG 10 Cb 0.59 -2.93 -0.04 0.00 -1.02 0.00 0.00 32.46 29.06 3du3 n ARG 10 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3du3 s VAL 11 N 1.77 5.00 0.38 1.55 -7.23 -1.26 -5.06 120.40 115.55 3du3 s VAL 11 Ca 0.57 -0.90 -0.26 0.00 -1.81 0.00 0.00 61.98 59.59 3du3 s VAL 11 Cb 0.16 -3.60 -0.09 0.00 0.56 0.00 0.00 36.38 33.41 3du3 s VAL 11 CO -0.07 -0.15 1.15 -2.16 -0.31 0.00 0.00 175.10 173.56 3du3 s PRO 12 N -3.35 4.18 0.00 4.82 0.05 -1.26 -4.95 135.00 134.49 3du3 s PRO 12 Ca 0.33 1.80 0.00 0.00 0.05 0.00 0.00 61.00 63.18 3du3 s PRO 12 Cb -0.10 -2.75 0.00 0.00 0.05 0.00 0.00 34.50 31.70 3du3 s PRO 12 CO 0.27 -0.20 0.00 0.41 0.05 0.00 0.00 177.00 177.52 3du3 n GLY 13 N 0.68 1.52 0.00 0.56 0.00 -1.26 -5.06 105.19 101.62 3du3 n GLY 13 Ca 0.03 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.87 3du3 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3du3 n GLY 14 N -0.43 0.63 3.77 -0.02 0.00 -1.26 -4.45 105.19 103.42 3du3 n GLY 14 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 3du3 n GLY 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3du3 s THR 15 N -2.07 2.51 -0.06 2.61 -4.23 -1.26 -4.65 115.64 108.48 3du3 s THR 15 Ca 0.00 0.48 -0.15 0.00 -1.18 0.00 0.00 61.69 60.84 3du3 s THR 15 Cb 0.00 -3.29 -0.30 0.00 1.34 0.00 0.00 72.50 70.25 3du3 s THR 15 CO 0.00 0.09 0.69 -0.07 -0.54 0.00 0.00 174.62 174.79 3du3 h LEU 16 N 2.91 0.54 -7.89 4.79 3.38 -1.93 -3.46 115.31 113.65 3du3 h LEU 16 Ca -0.50 -0.91 -0.51 0.00 0.09 0.00 0.00 57.88 56.05 3du3 h LEU 16 Cb 1.24 -0.18 -0.34 0.00 0.09 0.00 0.00 40.66 41.47 3du3 h LEU 16 CO 0.64 1.67 -0.81 -0.69 0.09 0.00 0.00 178.44 179.34 3du3 s VAL 17 N -2.53 1.08 0.00 1.22 1.01 -1.26 -4.89 120.40 115.03 3du3 s VAL 17 Ca -0.16 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.41 3du3 s VAL 17 Cb 0.04 -1.02 0.00 0.00 0.00 0.00 0.00 36.38 35.40 3du3 s VAL 17 CO 0.83 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.89 3du3 n GLY 18 N 4.16 0.72 7.00 4.51 0.00 -1.26 -4.48 105.19 115.83 3du3 n GLY 18 Ca -0.20 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.40 3du3 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3du3 n GLY 19 N -2.47 3.12 0.44 -0.02 0.00 -1.26 -2.10 105.19 102.89 3du3 n GLY 19 Ca 0.00 -0.08 0.14 0.00 0.00 0.00 0.00 46.02 46.08 3du3 n GLY 19 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3du3 n ASN 20 N 3.10 1.35 0.25 1.61 6.94 -1.26 -4.30 115.26 122.96 3du3 n ASN 20 Ca 0.00 -1.48 -0.17 0.00 -0.02 0.00 0.00 54.58 52.91 3du3 n ASN 20 Cb 0.00 -0.01 -0.10 0.00 -2.36 0.00 0.00 39.78 37.31 3du3 n ASN 20 CO 0.00 0.00 0.00 -0.07 -1.03 0.00 0.00 177.26 176.16 3du3 h LEU 21 N 2.07 -1.38 -3.08 -4.53 3.38 -1.79 -2.51 115.31 107.47 3du3 h LEU 21 Ca 0.00 0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3du3 h LEU 21 Cb 0.44 0.47 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3du3 h LEU 21 CO 0.00 -0.63 0.00 0.49 0.09 0.00 0.00 178.44 178.39 3du3 n PHE 22 N -5.40 1.32 -2.34 1.13 3.01 -1.26 -4.86 117.46 109.06 3du3 n PHE 22 Ca -0.11 -0.60 -0.36 0.00 1.01 0.00 0.00 57.45 57.39 3du3 n PHE 22 Cb 0.44 -0.20 -0.03 0.00 -0.01 0.00 0.00 39.48 39.68 3du3 n PHE 22 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3du3 s ASP 23 N -0.99 5.97 0.16 4.37 2.15 -0.95 -1.75 116.67 125.64 3du3 s ASP 23 Ca 0.48 -1.86 -0.24 0.00 0.43 0.00 0.00 52.55 51.36 3du3 s ASP 23 Cb 0.31 -2.58 0.07 0.00 -0.30 0.00 0.00 42.92 40.42 3du3 s ASP 23 CO 0.24 -2.07 1.02 0.72 -0.17 0.00 0.00 175.17 174.92 3du3 s PHE 24 N 7.38 -0.02 0.23 -5.34 -0.12 -1.26 -5.01 117.98 113.85 3du3 s PHE 24 Ca 0.60 -0.32 0.11 0.00 -0.05 0.00 0.00 56.93 57.26 3du3 s PHE 24 Cb 0.01 0.67 -0.05 0.00 -0.63 0.00 0.00 43.02 43.02 3du3 s PHE 24 CO 0.07 -0.84 -0.17 -1.58 -0.05 0.00 0.00 175.22 172.65 3du3 s TRP 25 N -2.65 2.41 -0.35 3.49 0.51 -1.26 -1.62 118.94 119.47 3du3 s TRP 25 Ca 0.17 -0.30 0.00 0.00 -2.12 0.00 0.00 56.10 53.85 3du3 s TRP 25 Cb -0.02 -1.12 0.11 0.00 -0.81 0.00 0.00 33.47 31.64 3du3 s TRP 25 CO 0.03 0.60 0.15 0.08 -0.51 0.00 0.00 176.95 177.30 3du3 s VAL 26 N -2.09 0.98 0.00 4.03 1.01 0.43 -4.95 120.40 119.81 3du3 s VAL 26 Ca 0.27 -1.75 0.00 0.00 0.00 0.00 0.00 61.98 60.49 3du3 s VAL 26 Cb -0.07 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.59 3du3 s VAL 26 CO 0.14 -0.76 0.00 0.61 0.00 0.00 0.00 175.10 175.09 3du3 n GLY 27 N 4.42 1.86 0.21 4.51 0.00 -1.26 -2.45 105.19 112.48 3du3 n GLY 27 Ca 0.02 -0.54 0.06 0.00 0.00 0.00 0.00 46.02 45.56 3du3 n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3du3 h PRO 28 N 0.00 0.00 -6.92 1.61 0.13 -1.97 -3.46 132.00 121.39 3du3 h PRO 28 Ca 0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.62 3du3 h PRO 28 Cb 0.00 0.00 0.04 0.00 0.13 0.00 0.00 31.00 31.17 3du3 h PRO 28 CO 0.00 0.29 0.50 -0.06 -0.23 0.00 0.00 178.00 178.50 3du3 s PHE 29 N -4.11 3.17 -0.16 1.56 0.08 -1.03 -5.05 117.98 112.44 3du3 s PHE 29 Ca -0.02 1.58 -0.11 0.00 0.12 0.00 0.00 56.93 58.49 3du3 s PHE 29 Cb 0.13 -3.37 -0.05 0.00 -0.57 0.00 0.00 43.02 39.16 3du3 s PHE 29 CO 0.68 -1.16 0.20 -0.47 -0.10 0.00 0.00 175.22 174.37 3du3 s TYR 30 N -1.37 3.48 0.00 0.36 5.04 -1.26 -0.43 117.35 123.16 3du3 s TYR 30 Ca 0.54 0.49 0.00 0.00 -2.44 0.00 0.00 57.07 55.66 3du3 s TYR 30 Cb -0.31 -2.19 0.00 0.00 0.35 0.00 0.00 41.96 39.81 3du3 s TYR 30 CO 0.39 0.37 0.00 0.28 -1.34 0.00 0.00 175.55 175.25 3du3 n VAL 31 N 3.18 0.00 -0.44 3.14 0.31 -0.64 -4.84 118.33 119.04 3du3 n VAL 31 Ca -0.15 0.00 0.05 0.00 -0.01 0.00 0.00 64.34 64.23 3du3 n VAL 31 Cb 0.52 -0.31 -0.03 0.00 -0.91 0.00 0.00 33.84 33.11 3du3 n VAL 31 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3du3 n GLY 32 N 2.78 -2.63 0.23 2.92 0.00 -0.72 -1.97 105.19 105.81 3du3 n GLY 32 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.68 3du3 n GLY 32 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3du3 h PHE 33 N -0.43 0.29 0.00 1.61 3.57 -1.80 0.28 116.94 120.46 3du3 h PHE 33 Ca -0.05 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3du3 h PHE 33 Cb 0.42 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.12 3du3 h PHE 33 CO 0.01 0.02 0.00 0.74 -2.23 0.00 0.00 178.31 176.85 3du3 h PHE 34 N 0.32 0.00 -0.32 0.41 0.04 -1.89 -1.12 116.94 114.38 3du3 h PHE 34 Ca 0.31 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.08 3du3 h PHE 34 Cb 0.44 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.57 3du3 h PHE 34 CO -0.21 0.00 0.20 0.78 -0.60 0.00 0.00 178.31 178.48 3du3 h GLY 35 N 2.31 0.45 0.78 -1.45 0.00 0.21 -1.76 103.07 103.60 3du3 h GLY 35 Ca 0.00 -0.18 -0.03 0.00 0.00 0.00 0.00 47.33 47.12 3du3 h GLY 35 CO 0.00 0.17 -0.03 -2.08 0.00 0.00 0.00 176.54 174.60 3du3 h VAL 36 N 0.41 1.28 -0.08 4.60 2.07 -1.07 -2.55 116.25 120.92 3du3 h VAL 36 Ca 0.11 -0.97 0.04 0.00 0.82 0.00 0.00 66.70 66.70 3du3 h VAL 36 Cb -0.02 1.59 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 3du3 h VAL 36 CO -0.02 0.29 -0.42 0.00 0.02 0.00 0.00 177.57 177.43 3du3 h ALA 37 N 0.73 -0.63 -0.93 1.67 0.00 -1.11 0.09 119.26 119.08 3du3 h ALA 37 Ca 0.04 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3du3 h ALA 37 Cb 0.46 0.77 -0.05 0.00 0.00 0.00 0.00 17.79 18.97 3du3 h ALA 37 CO 0.01 -0.94 0.61 1.79 0.00 0.00 0.00 179.25 180.72 3du3 h THR 38 N -0.53 1.20 -0.81 0.00 1.35 -1.33 0.82 112.91 113.61 3du3 h THR 38 Ca 0.06 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 3du3 h THR 38 Cb 0.64 -0.12 -0.04 0.00 -1.73 0.00 0.00 68.15 66.90 3du3 h THR 38 CO -0.36 0.22 0.52 0.15 -0.25 0.00 0.00 175.52 175.80 3du3 h PHE 39 N 1.21 1.04 0.13 4.73 3.57 -0.94 0.16 116.94 126.84 3du3 h PHE 39 Ca 0.35 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.86 3du3 h PHE 39 Cb -0.07 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.33 3du3 h PHE 39 CO -0.00 0.66 -0.06 0.35 -2.23 0.00 0.00 178.31 177.03 3du3 h PHE 40 N 1.10 -0.16 -0.20 0.41 3.57 0.01 -0.77 116.94 120.90 3du3 h PHE 40 Ca 0.30 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.76 3du3 h PHE 40 Cb -0.10 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 3du3 h PHE 40 CO -0.01 0.19 -0.03 0.74 -2.23 0.00 0.00 178.31 176.96 3du3 h PHE 41 N -0.52 0.31 0.05 0.41 0.04 -0.66 -2.59 116.94 113.97 3du3 h PHE 41 Ca -0.02 -0.02 -0.20 0.00 2.80 0.00 0.00 57.97 60.53 3du3 h PHE 41 Cb 0.42 -0.09 0.02 0.00 2.20 0.00 0.00 35.95 38.49 3du3 h PHE 41 CO 0.04 0.35 -0.81 0.00 -0.60 0.00 0.00 178.31 177.29 3du3 h ALA 42 N 1.68 0.03 -0.27 2.45 0.00 -0.61 -2.51 119.26 120.03 3du3 h ALA 42 Ca 0.07 -0.65 -0.00 0.00 0.00 0.00 0.00 54.91 54.33 3du3 h ALA 42 Cb 0.26 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3du3 h ALA 42 CO 0.01 0.46 0.17 0.00 0.00 0.00 0.00 179.25 179.88 3du3 h ALA 43 N 0.28 0.35 0.21 0.00 0.00 -1.08 -2.46 119.26 116.56 3du3 h ALA 43 Ca -0.12 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.76 3du3 h ALA 43 Cb 1.53 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 3du3 h ALA 43 CO 0.16 -0.15 -0.30 1.25 0.00 0.00 0.00 179.25 180.21 3du3 h LEU 44 N 0.35 -0.83 -1.83 0.00 5.85 -1.55 -0.92 115.31 116.38 3du3 h LEU 44 Ca 0.10 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.88 3du3 h LEU 44 Cb 0.01 0.30 -0.00 0.00 0.37 0.00 0.00 40.66 41.33 3du3 h LEU 44 CO -0.02 -0.41 -0.10 1.23 -0.34 0.00 0.00 178.44 178.81 3du3 h GLY 45 N -0.57 0.00 0.25 3.75 0.00 -1.36 0.11 103.07 105.25 3du3 h GLY 45 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.18 3du3 h GLY 45 CO -0.11 0.00 -0.79 -2.22 0.00 0.00 0.00 176.54 173.42 3du3 h ILE 46 N 0.00 1.34 -0.59 2.60 2.04 -1.33 -2.88 117.51 118.69 3du3 h ILE 46 Ca -0.00 -2.35 0.06 0.00 1.00 0.00 0.00 64.86 63.57 3du3 h ILE 46 Cb 0.40 2.91 -0.06 0.00 -0.74 0.00 0.00 36.82 39.33 3du3 h ILE 46 CO 0.01 0.58 0.29 0.40 0.00 0.00 0.00 178.15 179.43 3du3 h ILE 47 N -0.73 0.91 0.00 -0.67 2.04 -0.68 0.16 117.51 118.55 3du3 h ILE 47 Ca -0.18 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.49 3du3 h ILE 47 Cb 1.37 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.77 3du3 h ILE 47 CO -0.01 0.10 0.00 -0.07 0.00 0.00 0.00 178.15 178.17 3du3 h LEU 48 N 0.54 0.00 0.11 1.44 3.38 -1.07 0.17 115.31 119.87 3du3 h LEU 48 Ca 0.27 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.88 3du3 h LEU 48 Cb 0.22 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3du3 h LEU 48 CO -0.21 0.00 -2.02 -0.38 0.09 0.00 0.00 178.44 175.92 3du3 n ILE 49 N -2.53 1.75 -0.26 1.22 5.41 -0.26 -2.75 119.36 121.94 3du3 n ILE 49 Ca -0.01 -0.66 -0.05 0.00 1.00 0.00 0.00 62.75 63.03 3du3 n ILE 49 Cb 0.11 -1.66 0.10 0.00 -0.71 0.00 0.00 39.64 37.48 3du3 n ILE 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3du3 h ALA 50 N 0.13 1.09 -0.51 -1.39 0.00 0.70 -2.69 119.26 116.59 3du3 h ALA 50 Ca -0.43 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.21 3du3 h ALA 50 Cb 2.03 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 19.50 3du3 h ALA 50 CO 0.07 0.64 0.02 2.35 0.00 0.00 0.00 179.25 182.33 3du3 h TRP 51 N 1.09 0.90 -0.19 0.00 7.01 -0.84 -2.89 115.95 121.05 3du3 h TRP 51 Ca 0.25 -0.13 -0.12 0.00 2.11 0.00 0.00 58.89 61.00 3du3 h TRP 51 Cb 0.23 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.03 3du3 h TRP 51 CO 0.02 0.82 -0.40 1.03 -2.79 0.00 0.00 178.44 177.12 3du3 h SER 52 N 0.79 0.45 -0.26 2.65 0.87 -1.35 -3.01 113.55 113.68 3du3 h SER 52 Ca 0.15 -0.19 -0.04 0.00 -1.23 0.00 0.00 61.79 60.49 3du3 h SER 52 Cb 0.45 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 3du3 h SER 52 CO 0.02 0.80 0.06 0.00 -0.53 0.00 0.00 176.83 177.17 3du3 h ALA 53 N 1.22 1.44 -0.16 6.23 0.00 -1.27 -1.31 119.26 125.41 3du3 h ALA 53 Ca 0.03 -0.17 -0.21 0.00 0.00 0.00 0.00 54.91 54.57 3du3 h ALA 53 Cb 0.86 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.50 3du3 h ALA 53 CO 0.07 0.40 -0.72 -0.39 0.00 0.00 0.00 179.25 178.61 3du3 h VAL 54 N 0.51 1.29 0.00 0.00 -1.51 -1.40 0.14 116.25 115.29 3du3 h VAL 54 Ca 0.12 -1.93 -0.01 0.00 -1.23 0.00 0.00 66.70 63.65 3du3 h VAL 54 Cb 0.25 1.99 -0.00 0.00 -2.13 0.00 0.00 31.29 31.39 3du3 h VAL 54 CO 0.00 0.61 -0.04 -0.07 -1.23 0.00 0.00 177.57 176.84 3du3 h LEU 55 N 0.49 0.00 0.00 4.19 3.38 -1.44 -0.59 115.31 121.34 3du3 h LEU 55 Ca -0.05 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.70 3du3 h LEU 55 Cb 1.35 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.07 3du3 h LEU 55 CO 0.15 0.04 -1.57 1.67 0.09 0.00 0.00 178.44 178.82 3du3 n GLN 56 N -3.60 0.63 -2.44 1.13 7.27 -0.52 -5.01 117.38 114.83 3du3 n GLN 56 Ca -0.02 0.25 -0.04 0.00 0.07 0.00 0.00 57.00 57.25 3du3 n GLN 56 Cb 0.14 -1.79 0.02 0.00 2.41 0.00 0.00 30.24 31.01 3du3 n GLN 56 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3du3 n GLY 57 N 1.47 0.43 3.43 1.69 0.00 0.47 -5.08 105.19 107.60 3du3 n GLY 57 Ca -0.13 -0.42 -0.12 0.00 0.00 0.00 0.00 46.02 45.35 3du3 n GLY 57 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3du3 s THR 58 N -3.07 -0.00 -1.70 2.61 -1.32 -0.95 -5.03 115.64 106.18 3du3 s THR 58 Ca 0.04 0.02 0.18 0.00 -1.21 0.00 0.00 61.69 60.72 3du3 s THR 58 Cb -0.02 -0.75 0.48 0.00 -1.51 0.00 0.00 72.50 70.70 3du3 s THR 58 CO 0.14 0.01 1.40 0.79 -2.21 0.00 0.00 174.62 174.74 3du3 n TRP 59 N 3.23 0.70 -3.25 9.09 7.02 -1.26 -4.62 117.44 128.34 3du3 n TRP 59 Ca -0.16 -0.44 -0.41 0.00 -1.02 0.00 0.00 57.50 55.47 3du3 n TRP 59 Cb 0.56 -0.01 -0.08 0.00 -2.42 0.00 0.00 31.31 29.37 3du3 n TRP 59 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 3du3 s ASN 60 N -1.08 6.32 0.63 -0.99 3.84 -1.26 -4.98 114.94 117.41 3du3 s ASN 60 Ca 0.38 -0.01 0.36 0.00 0.21 0.00 0.00 52.86 53.80 3du3 s ASN 60 Cb 0.20 -2.26 2.09 0.00 -0.55 0.00 0.00 41.25 40.72 3du3 s ASN 60 CO 0.27 -0.46 2.30 1.55 -2.79 0.00 0.00 177.10 177.97 3du3 h PRO 61 N 8.43 0.00 0.00 0.43 0.14 -1.94 0.11 132.00 139.17 3du3 h PRO 61 Ca -0.28 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.86 3du3 h PRO 61 Cb 1.13 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.27 3du3 h PRO 61 CO 0.76 0.00 0.00 1.96 0.14 0.00 0.00 178.00 180.86 3du3 h GLN 62 N 0.00 0.00 0.00 0.86 1.08 -2.02 -3.33 115.11 111.71 3du3 h GLN 62 Ca 0.00 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 56.98 3du3 h GLN 62 Cb 0.02 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.41 3du3 h GLN 62 CO -0.00 0.00 -1.84 1.28 -0.95 0.00 0.00 178.83 177.32 3du3 n LEU 63 N -2.36 1.63 -4.65 1.46 4.77 0.22 -4.57 117.00 113.50 3du3 n LEU 63 Ca 0.04 -0.04 -0.48 0.00 -0.03 0.00 0.00 56.01 55.49 3du3 n LEU 63 Cb 0.38 -0.16 -0.05 0.00 -2.33 0.00 0.00 43.42 41.26 3du3 n LEU 63 CO 0.28 0.55 1.17 -0.38 -1.33 0.00 0.00 177.39 177.67 3du3 n ILE 64 N -2.72 0.10 -3.70 -0.08 5.41 -0.20 -4.94 119.36 113.24 3du3 n ILE 64 Ca -0.24 -0.02 -0.11 0.00 1.00 0.00 0.00 62.75 63.39 3du3 n ILE 64 Cb 0.83 -1.39 -0.11 0.00 -0.71 0.00 0.00 39.64 38.26 3du3 n ILE 64 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 176.55 176.00 3du3 s SER 65 N 1.40 -0.44 -0.40 4.38 0.15 -1.26 -4.32 113.70 113.21 3du3 s SER 65 Ca 0.83 0.83 -0.03 0.00 0.70 0.00 0.00 55.95 58.29 3du3 s SER 65 Cb -0.77 0.74 0.10 0.00 -1.71 0.00 0.00 66.02 64.39 3du3 s SER 65 CO 0.44 -0.19 0.18 -0.69 1.20 0.00 0.00 173.24 174.18 3du3 s VAL 66 N 1.47 3.28 0.08 4.45 1.01 -0.68 -4.89 120.40 125.13 3du3 s VAL 66 Ca -0.09 -1.97 -0.08 0.00 0.00 0.00 0.00 61.98 59.84 3du3 s VAL 66 Cb -0.09 -3.21 -0.06 0.00 0.00 0.00 0.00 36.38 33.03 3du3 s VAL 66 CO -0.12 -0.62 0.37 -0.31 0.00 0.00 0.00 175.10 174.42 3du3 s TYR 67 N 1.16 3.55 0.93 5.22 1.51 -1.26 -1.07 117.35 127.38 3du3 s TYR 67 Ca 0.07 0.70 -0.12 0.00 -1.01 0.00 0.00 57.07 56.71 3du3 s TYR 67 Cb -0.22 -2.09 0.15 0.00 -0.11 0.00 0.00 41.96 39.68 3du3 s TYR 67 CO -0.04 0.51 1.09 -1.25 -1.11 0.00 0.00 175.55 174.75 3du3 s PRO 68 N -2.08 1.02 0.72 -1.71 0.05 -1.26 -4.40 135.00 127.34 3du3 s PRO 68 Ca 0.34 0.78 -0.15 0.00 0.05 0.00 0.00 61.00 62.02 3du3 s PRO 68 Cb -0.13 -1.78 0.03 0.00 0.05 0.00 0.00 34.50 32.67 3du3 s PRO 68 CO 0.19 -2.40 1.21 -1.25 0.05 0.00 0.00 177.00 174.81 3du3 s PRO 69 N -4.92 2.20 0.54 0.56 0.05 -1.26 -4.68 135.00 127.49 3du3 s PRO 69 Ca 0.64 1.77 -0.17 0.00 0.05 0.00 0.00 61.00 63.29 3du3 s PRO 69 Cb -0.18 -1.84 -0.06 0.00 0.05 0.00 0.00 34.50 32.46 3du3 s PRO 69 CO 0.57 -1.79 1.02 0.00 0.05 0.00 0.00 177.00 176.85 3du3 s ALA 70 N -1.95 2.90 -0.72 8.56 0.00 -1.26 -2.41 121.76 126.88 3du3 s ALA 70 Ca 0.75 0.35 0.00 0.00 0.00 0.00 0.00 51.96 53.05 3du3 s ALA 70 Cb -0.29 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.64 3du3 s ALA 70 CO 0.44 -0.46 0.69 1.28 0.00 0.00 0.00 175.76 177.71 3du3 n LEU 71 N -1.62 0.00 -0.00 0.00 4.77 -1.26 -0.40 117.00 118.49 3du3 n LEU 71 Ca 0.08 0.23 -0.07 0.00 -0.03 0.00 0.00 56.01 56.22 3du3 n LEU 71 Cb 0.53 -0.23 -0.13 0.00 -2.33 0.00 0.00 43.42 41.27 3du3 n LEU 71 CO 0.45 -0.23 -0.42 -0.33 -1.33 0.00 0.00 177.39 175.53 3du3 h GLU 72 N 0.00 0.00 0.00 3.23 3.07 -1.98 -3.34 114.58 115.55 3du3 h GLU 72 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3du3 h GLU 72 Cb 0.32 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 3du3 h GLU 72 CO 0.00 0.48 0.00 0.66 -1.40 0.00 0.00 179.01 178.75 3du3 n TYR 73 N -3.03 0.00 -0.95 4.33 4.02 0.46 -4.97 117.16 117.02 3du3 n TYR 73 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.75 3du3 n TYR 73 Cb 1.00 -0.46 0.00 0.00 -0.02 0.00 0.00 39.34 39.86 3du3 n TYR 73 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3du3 n GLY 74 N 1.05 2.95 1.80 2.72 0.00 -1.26 -1.51 105.19 110.94 3du3 n GLY 74 Ca 0.07 -0.14 -0.17 0.00 0.00 0.00 0.00 46.02 45.78 3du3 n GLY 74 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3du3 n LEU 75 N 0.00 5.69 0.00 0.99 4.77 -1.24 -2.37 117.00 124.85 3du3 n LEU 75 Ca 0.00 -3.77 -0.15 0.00 -0.03 0.00 0.00 56.01 52.06 3du3 n LEU 75 Cb 0.00 -0.75 0.06 0.00 -2.33 0.00 0.00 43.42 40.40 3du3 n LEU 75 CO 0.00 1.21 0.31 0.61 -1.33 0.00 0.00 177.39 178.19 3du3 n GLY 76 N -1.11 1.59 3.78 -0.72 0.00 -0.57 -5.01 105.19 103.14 3du3 n GLY 76 Ca 0.49 -2.15 -0.38 0.00 0.00 0.00 0.00 46.02 43.98 3du3 n GLY 76 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3du3 s GLY 77 N -4.09 2.51 0.17 -0.02 0.00 -1.26 -4.97 107.32 99.66 3du3 s GLY 77 Ca 0.46 -0.12 0.02 0.00 0.00 0.00 0.00 44.72 45.09 3du3 s GLY 77 CO 0.30 0.51 0.31 0.00 0.00 0.00 0.00 173.10 174.22 3du3 s ALA 78 N -0.36 3.95 0.73 3.20 0.00 -1.26 -5.02 121.76 123.01 3du3 s ALA 78 Ca 0.27 -1.04 -0.15 0.00 0.00 0.00 0.00 51.96 51.03 3du3 s ALA 78 Cb -0.17 -1.80 0.04 0.00 0.00 0.00 0.00 23.12 21.19 3du3 s ALA 78 CO 0.14 0.48 1.23 -2.30 0.00 0.00 0.00 175.76 175.31 3du3 n PRO 79 N -0.70 0.61 -0.27 0.00 -0.02 -1.26 -3.20 135.00 130.16 3du3 n PRO 79 Ca -0.07 0.27 -0.01 0.00 -2.02 0.00 0.00 63.50 61.67 3du3 n PRO 79 Cb 0.54 -2.47 0.05 0.00 -0.02 0.00 0.00 33.50 31.61 3du3 n PRO 79 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3du3 h LEU 80 N -0.25 -1.05 -0.55 2.45 3.38 -1.92 0.23 115.31 117.60 3du3 h LEU 80 Ca -0.48 0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3du3 h LEU 80 Cb 1.32 0.58 0.00 0.00 0.09 0.00 0.00 40.66 42.65 3du3 h LEU 80 CO 0.49 -0.29 0.00 0.00 0.09 0.00 0.00 178.44 178.73 3du3 h ALA 81 N 1.39 1.00 -0.31 1.53 0.00 -1.97 -2.45 119.26 118.46 3du3 h ALA 81 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3du3 h ALA 81 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 3du3 h ALA 81 CO -0.80 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.08 3du3 n LYS 82 N -2.94 2.94 0.00 0.00 5.02 -0.29 -4.94 118.16 117.96 3du3 n LYS 82 Ca 0.03 -2.49 0.00 0.00 -2.02 0.00 0.00 58.31 53.82 3du3 n LYS 82 Cb 0.42 -1.59 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 3du3 n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3du3 n GLY 83 N -0.01 1.20 0.31 0.72 0.00 -0.42 -4.29 105.19 102.70 3du3 n GLY 83 Ca 0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.16 3du3 n GLY 83 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3du3 h GLY 84 N 0.00 0.95 1.16 -0.02 0.00 -0.58 -2.59 103.07 102.00 3du3 h GLY 84 Ca 0.00 -0.53 -0.03 0.00 0.00 0.00 0.00 47.33 46.77 3du3 h GLY 84 CO 0.00 0.50 0.35 1.41 0.00 0.00 0.00 176.54 178.80 3du3 h LEU 85 N 0.86 0.98 -1.18 3.11 3.38 -1.64 -2.41 115.31 118.42 3du3 h LEU 85 Ca 0.19 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 3du3 h LEU 85 Cb 0.26 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3du3 h LEU 85 CO -0.01 0.84 -0.40 -0.25 0.09 0.00 0.00 178.44 178.71 3du3 h TRP 86 N 1.07 0.00 -0.10 1.13 7.01 -1.69 -1.67 115.95 121.70 3du3 h TRP 86 Ca 0.26 0.00 -0.20 0.00 2.11 0.00 0.00 58.89 61.05 3du3 h TRP 86 Cb 0.13 0.00 0.01 0.00 -2.10 0.00 0.00 29.16 27.20 3du3 h TRP 86 CO 0.01 0.40 -0.74 1.96 -2.79 0.00 0.00 178.44 177.28 3du3 h GLN 87 N 0.00 0.67 -0.47 2.65 4.20 -1.28 -1.50 115.11 119.38 3du3 h GLN 87 Ca -0.00 -0.59 -0.13 0.00 0.06 0.00 0.00 58.65 57.98 3du3 h GLN 87 Cb 0.74 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.64 3du3 h GLN 87 CO 0.05 1.20 -0.23 0.82 -0.67 0.00 0.00 178.83 180.00 3du3 h ILE 88 N 0.34 1.27 -0.51 2.54 2.04 -1.34 -1.64 117.51 120.21 3du3 h ILE 88 Ca -0.06 -1.40 -0.03 0.00 1.00 0.00 0.00 64.86 64.37 3du3 h ILE 88 Cb 1.39 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 38.60 3du3 h ILE 88 CO 0.15 0.48 0.20 0.40 0.00 0.00 0.00 178.15 179.38 3du3 h ILE 89 N 0.84 1.21 -0.77 -0.67 2.04 -1.30 0.19 117.51 119.05 3du3 h ILE 89 Ca 0.10 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 3du3 h ILE 89 Cb 0.81 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.56 3du3 h ILE 89 CO 0.07 0.25 0.43 0.74 0.00 0.00 0.00 178.15 179.64 3du3 h THR 90 N 0.68 1.23 -0.62 -0.27 2.02 -1.06 0.67 112.91 115.55 3du3 h THR 90 Ca 0.17 -0.55 -0.07 0.00 0.77 0.00 0.00 66.41 66.73 3du3 h THR 90 Cb 0.20 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.76 3du3 h THR 90 CO -0.01 0.25 0.12 0.40 0.37 0.00 0.00 175.52 176.65 3du3 h ILE 91 N 1.07 1.26 -0.29 3.11 2.04 -0.97 -1.02 117.51 122.71 3du3 h ILE 91 Ca 0.27 -0.98 -0.10 0.00 1.00 0.00 0.00 64.86 65.05 3du3 h ILE 91 Cb 0.01 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 3du3 h ILE 91 CO -0.05 0.37 -0.20 0.00 0.00 0.00 0.00 178.15 178.27 3du3 h ALA 93 N 0.73 -1.05 -0.70 0.00 0.00 0.41 0.13 119.26 118.77 3du3 h ALA 93 Ca 0.06 -0.23 0.15 0.00 0.00 0.00 0.00 54.91 54.89 3du3 h ALA 93 Cb 0.75 0.42 -0.10 0.00 0.00 0.00 0.00 17.79 18.86 3du3 h ALA 93 CO 0.06 -1.09 0.18 1.15 0.00 0.00 0.00 179.25 179.54 3du3 h THR 94 N -1.05 0.56 -0.66 0.00 2.02 -1.23 0.11 112.91 112.66 3du3 h THR 94 Ca -0.10 -0.10 0.04 0.00 0.77 0.00 0.00 66.41 67.02 3du3 h THR 94 Cb 0.81 0.25 -0.05 0.00 -1.74 0.00 0.00 68.15 67.42 3du3 h THR 94 CO 0.16 0.05 0.39 1.23 0.37 0.00 0.00 175.52 177.73 3du3 h GLY 95 N 0.29 0.95 0.90 2.16 0.00 -0.89 -0.49 103.07 105.98 3du3 h GLY 95 Ca 0.39 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 3du3 h GLY 95 CO -0.47 0.22 -0.08 0.00 0.00 0.00 0.00 176.54 176.21 3du3 h ALA 96 N 1.31 -0.22 0.73 3.60 0.00 0.91 -2.37 119.26 123.21 3du3 h ALA 96 Ca 0.28 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.06 3du3 h ALA 96 Cb 0.08 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 3du3 h ALA 96 CO -0.13 -0.57 -0.45 0.74 0.00 0.00 0.00 179.25 178.83 3du3 h PHE 97 N -0.32 -1.21 -0.63 0.00 0.04 -0.46 0.68 116.94 115.04 3du3 h PHE 97 Ca -0.02 -0.01 0.11 0.00 2.80 0.00 0.00 57.97 60.84 3du3 h PHE 97 Cb 0.25 0.43 -0.08 0.00 2.20 0.00 0.00 35.95 38.76 3du3 h PHE 97 CO -0.04 -0.68 0.21 0.28 -0.60 0.00 0.00 178.31 177.48 3du3 h VAL 98 N -1.11 0.71 -0.76 -0.55 2.07 -1.18 -0.45 116.25 114.98 3du3 h VAL 98 Ca -0.09 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 3du3 h VAL 98 Cb 0.90 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.94 3du3 h VAL 98 CO 0.09 0.07 0.39 0.28 0.02 0.00 0.00 177.57 178.42 3du3 h SER 99 N 0.37 0.95 0.23 0.57 0.02 -1.18 -0.36 113.55 114.15 3du3 h SER 99 Ca 0.33 -0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 61.09 3du3 h SER 99 Cb 0.44 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 3du3 h SER 99 CO -0.35 0.78 -0.38 -0.25 -1.14 0.00 0.00 176.83 175.49 3du3 h TRP 100 N 1.06 0.24 -0.09 3.45 2.91 0.56 -1.89 115.95 122.18 3du3 h TRP 100 Ca 0.27 -0.06 -0.07 0.00 1.13 0.00 0.00 58.89 60.16 3du3 h TRP 100 Cb 0.06 -0.05 0.00 0.00 -0.51 0.00 0.00 29.16 28.65 3du3 h TRP 100 CO 0.01 0.56 -0.21 0.00 -1.03 0.00 0.00 178.44 177.77 3du3 h ALA 101 N 1.44 0.15 -0.08 2.65 0.00 -0.15 -2.90 119.26 120.37 3du3 h ALA 101 Ca 0.02 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 3du3 h ALA 101 Cb 0.75 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3du3 h ALA 101 CO 0.06 0.11 -0.21 -0.07 0.00 0.00 0.00 179.25 179.14 3du3 h LEU 102 N -0.16 0.12 -0.60 0.00 3.38 -0.95 -1.35 115.31 115.76 3du3 h LEU 102 Ca -0.00 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 3du3 h LEU 102 Cb 0.81 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.51 3du3 h LEU 102 CO 0.05 0.34 0.02 -0.09 0.09 0.00 0.00 178.44 178.85 3du3 h ARG 103 N 0.12 1.04 -0.86 1.13 2.43 -1.36 -1.04 114.38 115.83 3du3 h ARG 103 Ca 0.02 -0.32 0.02 0.00 -0.81 0.00 0.00 59.98 58.90 3du3 h ARG 103 Cb 0.44 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.84 3du3 h ARG 103 CO 0.03 1.01 0.57 0.93 -1.51 0.00 0.00 179.97 181.00 3du3 h GLU 104 N 0.94 1.08 -0.18 0.20 5.08 -1.06 0.11 114.58 120.75 3du3 h GLU 104 Ca 0.17 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.46 3du3 h GLU 104 Cb 0.53 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3du3 h GLU 104 CO 0.03 0.71 0.08 0.28 -1.00 0.00 0.00 179.01 179.11 3du3 h VAL 105 N 1.11 1.13 -0.79 3.13 2.07 -0.77 -0.32 116.25 121.81 3du3 h VAL 105 Ca 0.33 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 3du3 h VAL 105 Cb -0.04 1.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 3du3 h VAL 105 CO -0.09 0.13 0.45 -0.33 0.02 0.00 0.00 177.57 177.75 3du3 h GLU 106 N 0.16 1.08 -0.36 1.57 5.08 0.13 -2.05 114.58 120.18 3du3 h GLU 106 Ca 0.06 -0.11 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 3du3 h GLU 106 Cb 0.12 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 3du3 h GLU 106 CO -0.01 0.78 0.03 0.82 -1.00 0.00 0.00 179.01 179.64 3du3 h ILE 107 N 1.08 1.25 -0.83 3.13 2.04 -0.71 -2.53 117.51 120.94 3du3 h ILE 107 Ca 0.28 -0.90 0.21 0.00 1.00 0.00 0.00 64.86 65.45 3du3 h ILE 107 Cb -0.00 1.13 -0.13 0.00 -0.74 0.00 0.00 36.82 37.08 3du3 h ILE 107 CO -0.05 0.30 0.20 0.00 0.00 0.00 0.00 178.15 178.60 3du3 h ARG 109 N 0.22 0.25 -0.94 0.00 3.08 -1.19 -0.84 114.38 114.96 3du3 h ARG 109 Ca 0.50 -0.14 0.05 0.00 0.07 0.00 0.00 59.98 60.46 3du3 h ARG 109 Cb 0.96 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.96 3du3 h ARG 109 CO -0.62 0.69 0.61 -0.22 -1.07 0.00 0.00 179.97 179.37 3du3 h LYS 110 N -0.19 1.08 0.00 0.04 3.64 -0.95 -2.31 116.57 117.88 3du3 h LYS 110 Ca 0.01 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3du3 h LYS 110 Cb 0.66 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3du3 h LYS 110 CO 0.03 0.72 -0.20 1.28 -2.27 0.00 0.00 179.45 179.00 3du3 n LEU 111 N -4.47 0.24 -0.76 5.20 4.77 -0.55 -4.92 117.00 116.50 3du3 n LEU 111 Ca 0.14 0.31 -0.07 0.00 -0.03 0.00 0.00 56.01 56.35 3du3 n LEU 111 Cb 0.16 -0.39 -0.01 0.00 -2.33 0.00 0.00 43.42 40.84 3du3 n LEU 111 CO 0.33 0.04 -0.09 0.61 -1.33 0.00 0.00 177.39 176.95 3du3 n GLY 112 N 1.49 0.34 3.24 -0.72 0.00 -0.48 -5.02 105.19 104.04 3du3 n GLY 112 Ca 0.06 -0.62 -0.18 0.00 0.00 0.00 0.00 46.02 45.29 3du3 n GLY 112 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3du3 n ILE 113 N -3.63 0.00 -1.48 -0.61 -5.35 -0.44 -5.03 119.36 102.82 3du3 n ILE 113 Ca -0.08 -1.67 -0.31 0.00 -0.27 0.00 0.00 62.75 60.42 3du3 n ILE 113 Cb 0.47 -0.47 0.08 0.00 -1.74 0.00 0.00 39.64 37.98 3du3 n ILE 113 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3du3 s GLY 114 N -4.09 1.65 -0.17 3.28 0.00 -1.26 -4.63 107.32 102.10 3du3 s GLY 114 Ca 0.44 0.00 0.16 0.00 0.00 0.00 0.00 44.72 45.33 3du3 s GLY 114 CO 0.28 0.37 1.63 -1.72 0.00 0.00 0.00 173.10 173.67 3du3 n TYR 115 N -3.36 1.59 -0.05 1.90 4.01 -1.26 -4.61 117.16 115.37 3du3 n TYR 115 Ca 0.08 -0.70 0.03 0.00 -0.16 0.00 0.00 57.90 57.15 3du3 n TYR 115 Cb 0.54 -0.35 0.39 0.00 -0.31 0.00 0.00 39.34 39.61 3du3 n TYR 115 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3du3 h HIS 116 N 3.59 0.61 0.58 -0.72 3.86 -1.99 -2.18 115.15 118.91 3du3 h HIS 116 Ca 0.00 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.20 3du3 h HIS 116 Cb 1.63 -0.21 0.01 0.00 1.06 0.00 0.00 27.41 29.90 3du3 h HIS 116 CO 0.83 0.38 -0.28 0.82 0.86 0.00 0.00 177.93 180.54 3du3 h ILE 117 N 0.66 0.00 -0.82 2.45 2.04 -1.99 -0.14 117.51 119.71 3du3 h ILE 117 Ca 0.18 -0.29 0.16 0.00 1.00 0.00 0.00 64.86 65.92 3du3 h ILE 117 Cb -0.05 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 35.97 3du3 h ILE 117 CO -0.04 0.00 0.54 -0.65 0.00 0.00 0.00 178.15 178.00 3du3 h PRO 118 N -1.07 0.46 0.15 2.37 0.11 -1.88 -0.03 132.00 132.11 3du3 h PRO 118 Ca -0.08 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.99 3du3 h PRO 118 Cb 0.60 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.61 3du3 h PRO 118 CO 0.13 0.30 -0.07 0.35 -0.21 0.00 0.00 178.00 178.50 3du3 h PHE 119 N 0.47 -0.19 -0.62 0.65 3.57 -1.37 -2.29 116.94 117.17 3du3 h PHE 119 Ca 0.41 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.83 3du3 h PHE 119 Cb 0.89 0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.67 3du3 h PHE 119 CO -0.00 -0.00 0.11 0.00 -2.23 0.00 0.00 178.31 176.18 3du3 h ALA 120 N 0.48 1.02 -0.64 2.41 0.00 0.11 -2.68 119.26 119.96 3du3 h ALA 120 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3du3 h ALA 120 Cb 0.27 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3du3 h ALA 120 CO 0.03 0.63 0.40 0.35 0.00 0.00 0.00 179.25 180.67 3du3 h PHE 121 N 0.95 0.82 -0.00 0.00 3.57 -1.02 -2.19 116.94 119.07 3du3 h PHE 121 Ca 0.19 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.70 3du3 h PHE 121 Cb 0.40 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 38.87 3du3 h PHE 121 CO 0.03 0.53 0.04 0.00 -2.23 0.00 0.00 178.31 176.68 3du3 h ALA 122 N 1.57 1.05 -0.03 2.41 0.00 -1.05 0.04 119.26 123.25 3du3 h ALA 122 Ca 0.23 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.94 3du3 h ALA 122 Cb -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 3du3 h ALA 122 CO -0.05 -0.04 -0.85 0.74 0.00 0.00 0.00 179.25 179.05 3du3 h PHE 123 N 0.00 0.53 -0.16 0.00 -1.00 -1.50 -1.34 116.94 113.47 3du3 h PHE 123 Ca 0.00 -0.27 -0.03 0.00 2.81 0.00 0.00 57.97 60.48 3du3 h PHE 123 Cb 0.08 -0.07 -0.01 0.00 3.61 0.00 0.00 35.95 39.56 3du3 h PHE 123 CO 0.00 1.06 -0.01 0.00 -1.61 0.00 0.00 178.31 177.75 3du3 h ALA 124 N 0.85 0.22 -0.92 2.45 0.00 -1.11 -2.11 119.26 118.63 3du3 h ALA 124 Ca -0.06 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.68 3du3 h ALA 124 Cb 1.47 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 19.14 3du3 h ALA 124 CO 0.14 -0.06 0.60 0.82 0.00 0.00 0.00 179.25 180.75 3du3 h ILE 125 N 0.03 1.15 -0.14 0.00 2.04 -1.39 -1.30 117.51 117.90 3du3 h ILE 125 Ca 0.04 -0.40 -0.08 0.00 1.00 0.00 0.00 64.86 65.43 3du3 h ILE 125 Cb 0.41 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 3du3 h ILE 125 CO 0.01 0.21 -0.25 0.25 0.00 0.00 0.00 178.15 178.37 3du3 h LEU 126 N 1.16 0.24 -0.03 1.44 5.85 -1.11 0.22 115.31 123.08 3du3 h LEU 126 Ca 0.37 -0.07 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 3du3 h LEU 126 Cb 0.01 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 40.97 3du3 h LEU 126 CO -0.12 0.50 -0.02 0.00 -0.34 0.00 0.00 178.44 178.46 3du3 h ALA 127 N 1.52 0.04 -0.07 1.25 0.00 -0.57 -0.11 119.26 121.32 3du3 h ALA 127 Ca 0.04 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.72 3du3 h ALA 127 Cb 0.57 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3du3 h ALA 127 CO 0.04 -0.21 -0.07 -0.92 0.00 0.00 0.00 179.25 178.09 3du3 h TYR 128 N -0.39 -0.16 0.00 0.00 3.20 -1.22 -1.88 116.97 116.52 3du3 h TYR 128 Ca 0.00 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.87 3du3 h TYR 128 Cb 0.49 0.08 -0.00 0.00 1.54 0.00 0.00 36.73 38.84 3du3 h TYR 128 CO 0.09 -0.10 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.37 3du3 h LEU 129 N -0.08 0.00 -0.21 2.82 3.38 -0.88 -1.47 115.31 118.86 3du3 h LEU 129 Ca 0.05 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 3du3 h LEU 129 Cb 0.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3du3 h LEU 129 CO -0.12 0.06 -0.02 0.74 0.09 0.00 0.00 178.44 179.19 3du3 h THR 130 N 0.00 1.27 0.00 0.22 2.02 -0.23 -0.51 112.91 115.68 3du3 h THR 130 Ca -0.00 -0.94 -0.10 0.00 0.77 0.00 0.00 66.41 66.14 3du3 h THR 130 Cb 0.13 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 3du3 h THR 130 CO 0.01 0.29 -0.46 -0.07 0.37 0.00 0.00 175.52 175.65 3du3 h LEU 131 N 0.14 0.00 -0.83 2.58 3.38 -0.73 -0.99 115.31 118.86 3du3 h LEU 131 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3du3 h LEU 131 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 3du3 h LEU 131 CO 0.01 0.46 -0.05 1.33 0.09 0.00 0.00 178.44 180.29 3du3 n VAL 132 N -3.67 0.00 0.04 1.22 0.24 -0.84 -4.29 118.33 111.04 3du3 n VAL 132 Ca -0.01 -0.48 0.00 0.00 -2.04 0.00 0.00 64.34 61.82 3du3 n VAL 132 Cb 0.54 1.06 0.00 0.00 -1.47 0.00 0.00 33.84 33.97 3du3 n VAL 132 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 3du3 n LEU 133 N -0.15 0.15 0.18 1.34 7.94 -0.33 -4.81 117.00 121.33 3du3 n LEU 133 Ca 0.02 0.14 -0.15 0.00 -1.11 0.00 0.00 56.01 54.91 3du3 n LEU 133 Cb 0.09 0.04 -0.08 0.00 0.53 0.00 0.00 43.42 44.00 3du3 n LEU 133 CO 0.04 -0.61 0.75 -0.26 -1.11 0.00 0.00 177.39 176.20 3du3 h PHE 134 N 0.00 -0.37 0.78 1.96 0.04 -1.25 -1.16 116.94 116.95 3du3 h PHE 134 Ca 0.00 -0.01 -0.04 0.00 2.80 0.00 0.00 57.97 60.72 3du3 h PHE 134 Cb 0.00 0.12 0.01 0.00 2.20 0.00 0.00 35.95 38.28 3du3 h PHE 134 CO 0.00 -0.20 -0.38 -0.09 -0.60 0.00 0.00 178.31 177.05 3du3 h ARG 135 N -0.44 -1.01 -0.82 1.51 2.43 -1.41 -1.73 114.38 112.91 3du3 h ARG 135 Ca -0.04 0.07 0.10 0.00 -0.81 0.00 0.00 59.98 59.30 3du3 h ARG 135 Cb 0.33 0.23 -0.07 0.00 -0.42 0.00 0.00 29.97 30.04 3du3 h ARG 135 CO 0.07 -0.66 0.46 -1.35 -1.51 0.00 0.00 179.97 176.98 3du3 h PRO 136 N -1.15 0.74 -0.46 0.20 0.11 -1.78 0.32 132.00 129.98 3du3 h PRO 136 Ca -0.11 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.94 3du3 h PRO 136 Cb 0.82 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 31.74 3du3 h PRO 136 CO 0.18 0.49 0.22 0.28 -0.21 0.00 0.00 178.00 178.96 3du3 h VAL 137 N 0.77 1.18 -0.04 3.15 2.07 -1.16 1.10 116.25 123.31 3du3 h VAL 137 Ca 0.40 -0.51 -0.06 0.00 0.82 0.00 0.00 66.70 67.35 3du3 h VAL 137 Cb 0.38 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3du3 h VAL 137 CO -0.26 0.20 -0.26 0.24 0.02 0.00 0.00 177.57 177.52 3du3 h MET 138 N 0.60 0.07 0.18 1.57 2.86 -0.27 -2.84 114.93 117.10 3du3 h MET 138 Ca 0.16 -0.02 -0.25 0.00 -2.06 0.00 0.00 59.70 57.53 3du3 h MET 138 Cb 0.11 -0.01 0.03 0.00 0.06 0.00 0.00 31.60 31.79 3du3 h MET 138 CO -0.02 0.33 -1.09 0.52 1.06 0.00 0.00 176.91 177.72 3du3 h MET 139 N 0.07 0.41 0.00 1.72 2.86 0.20 -3.49 114.93 116.70 3du3 h MET 139 Ca 0.01 -0.69 0.00 0.00 -2.06 0.00 0.00 59.70 56.96 3du3 h MET 139 Cb 0.50 0.25 0.00 0.00 0.06 0.00 0.00 31.60 32.41 3du3 h MET 139 CO 0.04 1.33 0.00 0.41 1.06 0.00 0.00 176.91 179.74 3du3 n GLY 140 N 1.67 1.50 3.57 8.32 0.00 0.37 -5.07 105.19 115.54 3du3 n GLY 140 Ca -0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 3du3 n GLY 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3du3 s ALA 141 N -1.80 -1.92 0.16 4.61 0.00 -0.69 -3.63 121.76 118.48 3du3 s ALA 141 Ca 0.00 1.54 0.31 0.00 0.00 0.00 0.00 51.96 53.80 3du3 s ALA 141 Cb 0.00 -0.59 1.28 0.00 0.00 0.00 0.00 23.12 23.81 3du3 s ALA 141 CO 0.00 -0.34 1.96 -1.49 0.00 0.00 0.00 175.76 175.89 3du3 h TRP 142 N 2.56 0.00 0.00 0.00 4.06 -1.74 -3.28 115.95 117.55 3du3 h TRP 142 Ca -0.19 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.76 3du3 h TRP 142 Cb 1.17 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.33 3du3 h TRP 142 CO 0.30 0.08 0.00 0.41 -3.56 0.00 0.00 178.44 175.66 3du3 n GLY 143 N -0.03 -1.09 0.01 1.49 0.00 -1.01 -2.29 105.19 102.27 3du3 n GLY 143 Ca 0.00 -0.16 0.13 0.00 0.00 0.00 0.00 46.02 45.99 3du3 n GLY 143 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3du3 n TYR 144 N -1.14 0.10 -1.62 1.61 4.01 -1.24 -4.81 117.16 114.06 3du3 n TYR 144 Ca 0.18 0.03 -0.30 0.00 -0.16 0.00 0.00 57.90 57.65 3du3 n TYR 144 Cb 0.17 -0.47 0.08 0.00 -0.31 0.00 0.00 39.34 38.81 3du3 n TYR 144 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3du3 s ALA 145 N -3.02 2.36 0.04 -0.72 0.00 -0.97 -4.89 121.76 114.57 3du3 s ALA 145 Ca 0.13 -0.25 -0.10 0.00 0.00 0.00 0.00 51.96 51.74 3du3 s ALA 145 Cb 0.18 -3.09 -0.05 0.00 0.00 0.00 0.00 23.12 20.16 3du3 s ALA 145 CO 0.59 -1.63 0.35 -0.59 0.00 0.00 0.00 175.76 174.48 3du3 s PHE 146 N -3.21 3.61 0.58 0.00 -0.71 -1.26 -4.89 117.98 112.10 3du3 s PHE 146 Ca 0.60 0.75 -0.17 0.00 -1.04 0.00 0.00 56.93 57.07 3du3 s PHE 146 Cb -0.14 -2.12 -0.04 0.00 -1.21 0.00 0.00 43.02 39.51 3du3 s PHE 146 CO 0.54 0.58 1.09 -1.25 -1.34 0.00 0.00 175.22 174.83 3du3 s PRO 147 N -1.68 3.26 -0.94 1.99 0.04 -1.26 -4.81 135.00 131.59 3du3 s PRO 147 Ca 0.29 1.40 -0.18 0.00 0.04 0.00 0.00 61.00 62.56 3du3 s PRO 147 Cb -0.14 -2.01 0.15 0.00 0.04 0.00 0.00 34.50 32.53 3du3 s PRO 147 CO 0.16 -0.89 1.11 0.71 0.04 0.00 0.00 177.00 178.13 3du3 s TYR 148 N -2.14 3.24 -0.22 0.56 2.02 -0.23 -4.14 117.35 116.44 3du3 s TYR 148 Ca 0.68 -1.54 -0.24 0.00 -0.37 0.00 0.00 57.07 55.60 3du3 s TYR 148 Cb -0.20 -4.23 0.06 0.00 -0.40 0.00 0.00 41.96 37.20 3du3 s TYR 148 CO 0.32 -1.42 0.65 0.20 -1.57 0.00 0.00 175.55 173.74 3du3 s GLY 149 N 3.37 -0.49 0.11 0.71 0.00 -1.26 -1.69 107.32 108.07 3du3 s GLY 149 Ca 0.32 1.74 -0.30 0.00 0.00 0.00 0.00 44.72 46.48 3du3 s GLY 149 CO -0.09 1.48 1.59 -2.22 0.00 0.00 0.00 173.10 173.86 3du3 h ILE 150 N 3.96 0.18 0.00 0.90 1.08 -1.78 -2.25 117.51 119.61 3du3 h ILE 150 Ca -0.28 0.00 -0.32 0.00 -0.39 0.00 0.00 64.86 63.87 3du3 h ILE 150 Cb 1.16 0.18 -0.05 0.00 -3.07 0.00 0.00 36.82 35.04 3du3 h ILE 150 CO 0.14 0.00 -1.92 0.79 -0.69 0.00 0.00 178.15 176.47 3du3 n TRP 151 N -5.46 0.72 0.05 1.37 7.02 -1.26 -4.10 117.44 115.77 3du3 n TRP 151 Ca -0.07 0.25 0.01 0.00 -1.02 0.00 0.00 57.50 56.68 3du3 n TRP 151 Cb 0.37 -1.13 0.35 0.00 -2.42 0.00 0.00 31.31 28.48 3du3 n TRP 151 CO 0.00 0.00 0.00 1.79 -2.02 0.00 0.00 177.69 177.46 3du3 h THR 152 N 0.00 1.18 -0.02 -0.99 1.35 -1.90 -0.68 112.91 111.85 3du3 h THR 152 Ca -0.37 -0.70 -0.10 0.00 -0.55 0.00 0.00 66.41 64.69 3du3 h THR 152 Cb 2.08 1.00 -0.01 0.00 -1.73 0.00 0.00 68.15 69.48 3du3 h THR 152 CO 0.06 0.24 -0.44 1.12 -0.25 0.00 0.00 175.52 176.25 3du3 h HIS 153 N 0.40 0.05 -0.33 4.73 2.07 -1.56 -0.07 115.15 120.43 3du3 h HIS 153 Ca 0.09 -0.01 -0.14 0.00 -2.85 0.00 0.00 60.37 57.45 3du3 h HIS 153 Cb 0.30 -0.01 -0.01 0.00 2.57 0.00 0.00 27.41 30.26 3du3 h HIS 153 CO 0.01 0.48 -0.36 -0.07 -3.07 0.00 0.00 177.93 174.92 3du3 h LEU 154 N 0.04 0.80 -0.65 6.12 3.38 -1.33 -1.96 115.31 121.70 3du3 h LEU 154 Ca -0.00 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.60 3du3 h LEU 154 Cb 0.80 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 3du3 h LEU 154 CO 0.06 1.08 0.31 0.44 0.09 0.00 0.00 178.44 180.42 3du3 h ASP 155 N 0.63 0.86 -0.82 -0.43 3.32 -0.32 -0.86 116.42 118.80 3du3 h ASP 155 Ca 0.06 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 56.94 3du3 h ASP 155 Cb 0.90 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.19 3du3 h ASP 155 CO 0.08 0.75 0.37 -0.25 -1.72 0.00 0.00 179.24 178.47 3du3 h TRP 156 N 0.91 1.21 -0.18 4.55 7.01 -0.91 -0.10 115.95 128.43 3du3 h TRP 156 Ca 0.22 -0.07 -0.08 0.00 2.11 0.00 0.00 58.89 61.07 3du3 h TRP 156 Cb 0.12 -0.37 -0.00 0.00 -2.10 0.00 0.00 29.16 26.81 3du3 h TRP 156 CO 0.00 0.89 -0.20 0.28 -2.79 0.00 0.00 178.44 176.63 3du3 h VAL 157 N 1.18 1.34 -0.61 2.65 2.07 -0.89 -0.45 116.25 121.55 3du3 h VAL 157 Ca 0.28 -1.37 -0.04 0.00 0.82 0.00 0.00 66.70 66.39 3du3 h VAL 157 Cb 0.16 1.82 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 3du3 h VAL 157 CO -0.03 0.41 0.22 -1.28 0.02 0.00 0.00 177.57 176.91 3du3 h SER 158 N 0.11 0.85 -0.19 0.57 0.87 -0.99 -1.69 113.55 113.07 3du3 h SER 158 Ca 0.03 -0.19 -0.11 0.00 -1.23 0.00 0.00 61.79 60.29 3du3 h SER 158 Cb 0.74 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 62.48 3du3 h SER 158 CO 0.05 0.81 -0.31 0.78 -0.53 0.00 0.00 176.83 177.62 3du3 h ASN 159 N 0.85 0.61 -0.18 6.23 2.35 -0.97 -2.10 115.58 122.37 3du3 h ASN 159 Ca 0.20 -0.53 -0.06 0.00 -0.55 0.00 0.00 56.30 55.36 3du3 h ASN 159 Cb 0.24 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.42 3du3 h ASN 159 CO -0.01 1.02 -0.07 0.74 -1.65 0.00 0.00 177.43 177.46 3du3 h THR 160 N 0.22 1.21 0.21 2.81 2.02 -1.05 -1.83 112.91 116.50 3du3 h THR 160 Ca 0.02 -0.91 -0.01 0.00 0.77 0.00 0.00 66.41 66.27 3du3 h THR 160 Cb 0.90 1.06 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 3du3 h THR 160 CO 0.07 0.30 -0.10 1.23 0.37 0.00 0.00 175.52 177.39 3du3 h GLY 161 N 0.88 -0.30 2.00 2.16 0.00 -1.27 -3.16 103.07 103.39 3du3 h GLY 161 Ca 0.10 0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.54 3du3 h GLY 161 CO 0.02 -0.11 0.00 -1.72 0.00 0.00 0.00 176.54 174.73 3du3 n TYR 162 N -5.06 0.48 0.31 5.60 4.01 -0.80 -1.96 117.16 119.73 3du3 n TYR 162 Ca -0.09 0.19 0.19 0.00 -0.16 0.00 0.00 57.90 58.03 3du3 n TYR 162 Cb 0.24 -0.80 0.92 0.00 -0.31 0.00 0.00 39.34 39.39 3du3 n TYR 162 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 3du3 h THR 163 N 0.00 0.00 -0.02 -0.72 2.02 -1.29 -2.52 112.91 110.38 3du3 h THR 163 Ca 0.00 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 3du3 h THR 163 Cb 0.33 1.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.93 3du3 h THR 163 CO 0.00 0.00 -0.15 -1.22 0.37 0.00 0.00 175.52 174.52 3du3 n TYR 164 N -2.99 0.07 -2.34 3.16 4.01 -0.83 -4.90 117.16 113.34 3du3 n TYR 164 Ca -0.01 -1.15 0.00 0.00 -0.16 0.00 0.00 57.90 56.57 3du3 n TYR 164 Cb 0.18 -0.20 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 3du3 n TYR 164 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3du3 n GLY 165 N -1.30 0.53 3.56 2.72 0.00 -0.95 -1.94 105.19 107.81 3du3 n GLY 165 Ca 0.18 -1.08 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 3du3 n GLY 165 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3du3 s ASN 166 N -4.00 6.47 0.32 1.61 3.84 -1.26 -3.86 114.94 118.05 3du3 s ASN 166 Ca 0.00 0.03 0.23 0.00 0.21 0.00 0.00 52.86 53.33 3du3 s ASN 166 Cb 0.00 -2.46 1.15 0.00 -0.55 0.00 0.00 41.25 39.39 3du3 s ASN 166 CO 0.00 -1.14 1.70 0.33 -2.79 0.00 0.00 177.10 175.20 3du3 n PHE 167 N 7.39 0.80 0.12 0.43 7.35 -1.26 -2.21 117.46 130.07 3du3 n PHE 167 Ca 0.06 0.38 0.19 0.00 -0.76 0.00 0.00 57.45 57.32 3du3 n PHE 167 Cb 0.48 -1.11 0.76 0.00 0.35 0.00 0.00 39.48 39.97 3du3 n PHE 167 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 3du3 h HIS 168 N 0.00 0.00 0.00 -5.13 3.86 -1.95 -1.23 115.15 110.70 3du3 h HIS 168 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3du3 h HIS 168 Cb 0.12 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.59 3du3 h HIS 168 CO 0.00 0.00 0.00 0.66 0.86 0.00 0.00 177.93 179.45 3du3 n TYR 169 N -3.92 0.00 -1.83 2.45 4.02 -0.94 -4.53 117.16 112.41 3du3 n TYR 169 Ca 0.05 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.52 3du3 n TYR 169 Cb 0.49 -0.47 -0.03 0.00 -0.02 0.00 0.00 39.34 39.31 3du3 n TYR 169 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 3du3 s ASN 170 N -2.94 6.39 0.25 7.72 3.84 -0.47 -4.69 114.94 125.04 3du3 s ASN 170 Ca 0.15 2.30 -0.05 0.00 0.21 0.00 0.00 52.86 55.47 3du3 s ASN 170 Cb 0.19 -2.53 0.28 0.00 -0.55 0.00 0.00 41.25 38.63 3du3 s ASN 170 CO 0.50 -1.15 1.86 1.55 -2.79 0.00 0.00 177.10 177.07 3du3 h PRO 171 N 10.81 1.15 -0.17 0.43 0.13 -1.90 -1.77 132.00 140.68 3du3 h PRO 171 Ca -0.43 -0.15 -0.12 0.00 -0.87 0.00 0.00 66.00 64.43 3du3 h PRO 171 Cb 1.21 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 32.11 3du3 h PRO 171 CO 0.96 0.87 -0.41 0.00 -0.23 0.00 0.00 178.00 179.18 3du3 h ALA 172 N 1.31 0.98 -0.35 -0.56 0.00 -1.92 -2.48 119.26 116.23 3du3 h ALA 172 Ca 0.28 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 3du3 h ALA 172 Cb 0.07 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3du3 h ALA 172 CO -0.04 0.62 -0.04 1.25 0.00 0.00 0.00 179.25 181.04 3du3 h HIS 173 N 0.33 0.60 0.11 0.00 6.17 -1.61 -0.88 115.15 119.88 3du3 h HIS 173 Ca 0.03 -0.07 -0.01 0.00 0.71 0.00 0.00 60.37 61.03 3du3 h HIS 173 Cb 0.86 -0.17 0.00 0.00 2.52 0.00 0.00 27.41 30.62 3du3 h HIS 173 CO 0.02 0.61 -0.05 0.52 0.71 0.00 0.00 177.93 179.74 3du3 h MET 174 N 0.54 -0.15 -0.62 5.26 2.86 -0.94 -1.58 114.93 120.31 3du3 h MET 174 Ca 0.11 0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.67 3du3 h MET 174 Cb 0.40 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 3du3 h MET 174 CO 0.02 0.04 0.02 0.82 1.06 0.00 0.00 176.91 178.87 3du3 h ILE 175 N -0.32 1.27 -0.67 -1.22 2.04 -1.43 -1.53 117.51 115.65 3du3 h ILE 175 Ca -0.02 -1.13 0.01 0.00 1.00 0.00 0.00 64.86 64.72 3du3 h ILE 175 Cb 0.26 0.77 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 3du3 h ILE 175 CO 0.03 0.41 0.44 0.00 0.00 0.00 0.00 178.15 179.02 3du3 h ALA 176 N 1.00 0.84 -0.44 1.87 0.00 -1.05 -2.19 119.26 119.29 3du3 h ALA 176 Ca 0.18 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3du3 h ALA 176 Cb 0.53 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3du3 h ALA 176 CO 0.03 0.28 -0.05 0.82 0.00 0.00 0.00 179.25 180.32 3du3 h ILE 177 N 0.90 1.27 -0.98 0.00 2.04 -1.17 -2.31 117.51 117.25 3du3 h ILE 177 Ca 0.24 -1.14 0.15 0.00 1.00 0.00 0.00 64.86 65.11 3du3 h ILE 177 Cb -0.09 1.11 -0.09 0.00 -0.74 0.00 0.00 36.82 37.01 3du3 h ILE 177 CO -0.05 0.39 0.62 0.28 0.00 0.00 0.00 178.15 179.38 3du3 h SER 178 N 0.65 0.83 -0.10 1.72 0.02 -0.89 -0.37 113.55 115.40 3du3 h SER 178 Ca 0.12 0.06 -0.20 0.00 -0.84 0.00 0.00 61.79 60.93 3du3 h SER 178 Cb 0.57 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.01 3du3 h SER 178 CO 0.03 0.40 -0.67 -0.26 -1.14 0.00 0.00 176.83 175.19 3du3 h PHE 179 N 0.86 0.95 -0.58 3.45 0.04 -1.10 -1.81 116.94 118.75 3du3 h PHE 179 Ca 0.51 -0.38 -0.02 0.00 2.80 0.00 0.00 57.97 60.88 3du3 h PHE 179 Cb 0.66 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 38.63 3du3 h PHE 179 CO -0.00 1.19 0.28 0.74 -0.60 0.00 0.00 178.31 179.92 3du3 h PHE 180 N 0.52 0.84 -0.28 -0.55 0.04 -0.58 0.12 116.94 117.05 3du3 h PHE 180 Ca -0.02 -0.04 -0.08 0.00 2.80 0.00 0.00 57.97 60.63 3du3 h PHE 180 Cb 1.28 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 39.16 3du3 h PHE 180 CO 0.07 0.64 -0.15 0.74 -0.60 0.00 0.00 178.31 179.01 3du3 h PHE 181 N 0.79 0.69 -0.54 -0.55 0.04 -1.17 -2.51 116.94 113.69 3du3 h PHE 181 Ca 0.20 -0.17 -0.06 0.00 2.80 0.00 0.00 57.97 60.74 3du3 h PHE 181 Cb 0.11 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.09 3du3 h PHE 181 CO -0.00 0.84 0.12 1.15 -0.60 0.00 0.00 178.31 179.82 3du3 h THR 182 N 0.33 1.25 -0.71 -1.55 2.02 -1.13 -1.83 112.91 111.29 3du3 h THR 182 Ca 0.06 -0.90 -0.00 0.00 0.77 0.00 0.00 66.41 66.34 3du3 h THR 182 Cb 0.67 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 3du3 h THR 182 CO 0.04 0.33 0.44 -1.13 0.37 0.00 0.00 175.52 175.57 3du3 h ASN 183 N 0.78 0.85 -0.17 4.18 -1.24 -0.73 0.13 115.58 119.38 3du3 h ASN 183 Ca 0.17 -0.06 -0.08 0.00 0.71 0.00 0.00 56.30 57.04 3du3 h ASN 183 Cb 0.36 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.18 3du3 h ASN 183 CO 0.00 0.66 -0.14 0.00 -1.29 0.00 0.00 177.43 176.66 3du3 h ALA 184 N 1.23 1.18 0.12 1.57 0.00 -1.27 0.49 119.26 122.58 3du3 h ALA 184 Ca 0.26 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3du3 h ALA 184 Cb -0.04 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3du3 h ALA 184 CO -0.05 0.53 -0.06 1.25 0.00 0.00 0.00 179.25 180.92 3du3 h LEU 185 N 0.50 -0.14 -0.89 0.00 6.46 -0.56 -1.97 115.31 118.71 3du3 h LEU 185 Ca 0.09 -0.10 -0.10 0.00 -0.12 0.00 0.00 57.88 57.66 3du3 h LEU 185 Cb 0.54 0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 40.49 3du3 h LEU 185 CO 0.03 0.01 -0.20 0.00 -0.62 0.00 0.00 178.44 177.66 3du3 h ALA 186 N 0.59 1.06 -0.28 1.25 0.00 -0.76 -1.75 119.26 119.37 3du3 h ALA 186 Ca -0.02 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 3du3 h ALA 186 Cb 0.22 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3du3 h ALA 186 CO 0.03 0.57 -0.01 1.25 0.00 0.00 0.00 179.25 181.09 3du3 h LEU 187 N 0.53 0.49 -0.54 0.00 5.85 -0.85 -0.30 115.31 120.49 3du3 h LEU 187 Ca 0.08 -0.32 0.00 0.00 0.84 0.00 0.00 57.88 58.49 3du3 h LEU 187 Cb 0.64 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 3du3 h LEU 187 CO 0.05 0.69 0.34 0.00 -0.34 0.00 0.00 178.44 179.18 3du3 h ALA 188 N 0.82 0.68 0.65 1.25 0.00 -1.17 -1.76 119.26 119.73 3du3 h ALA 188 Ca 0.08 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3du3 h ALA 188 Cb 0.44 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.02 3du3 h ALA 188 CO 0.02 0.14 -0.31 -0.07 0.00 0.00 0.00 179.25 179.03 3du3 h LEU 189 N 0.73 -0.73 -0.48 0.00 3.38 -1.24 -1.74 115.31 115.22 3du3 h LEU 189 Ca 0.20 -0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.25 3du3 h LEU 189 Cb -0.05 0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.80 3du3 h LEU 189 CO -0.04 -0.43 -0.04 -0.74 0.09 0.00 0.00 178.44 177.28 3du3 h HIS 190 N -1.02 -0.10 -0.45 1.13 2.76 -0.96 0.46 115.15 116.98 3du3 h HIS 190 Ca -0.09 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.12 3du3 h HIS 190 Cb 0.70 0.12 -0.02 0.00 1.55 0.00 0.00 27.41 29.76 3du3 h HIS 190 CO -0.01 -0.14 0.28 0.78 -1.30 0.00 0.00 177.93 177.54 3du3 h GLY 191 N 0.08 0.64 1.01 5.26 0.00 -1.38 -2.49 103.07 106.19 3du3 h GLY 191 Ca 0.24 -0.26 -0.07 0.00 0.00 0.00 0.00 47.33 47.24 3du3 h GLY 191 CO -0.43 0.25 0.07 0.00 0.00 0.00 0.00 176.54 176.44 3du3 h ALA 192 N 1.13 0.72 0.45 3.60 0.00 -0.18 -2.43 119.26 122.55 3du3 h ALA 192 Ca 0.16 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3du3 h ALA 192 Cb -0.02 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.57 3du3 h ALA 192 CO -0.03 0.47 -0.22 1.25 0.00 0.00 0.00 179.25 180.72 3du3 h LEU 193 N 0.79 -0.52 -0.41 0.00 5.85 -0.00 -1.32 115.31 119.70 3du3 h LEU 193 Ca 0.16 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.88 3du3 h LEU 193 Cb 0.43 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.57 3du3 h LEU 193 CO 0.01 -0.33 0.27 0.58 -0.34 0.00 0.00 178.44 178.63 3du3 h VAL 194 N -0.66 1.11 -0.36 1.05 2.07 -1.46 -2.46 116.25 115.54 3du3 h VAL 194 Ca -0.06 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 3du3 h VAL 194 Cb 0.50 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3du3 h VAL 194 CO 0.10 0.10 0.22 -0.07 0.02 0.00 0.00 177.57 177.94 3du3 h LEU 195 N 0.55 0.43 -1.86 2.57 3.38 -1.40 -0.28 115.31 118.70 3du3 h LEU 195 Ca 0.15 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 3du3 h LEU 195 Cb -0.06 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 3du3 h LEU 195 CO -0.03 0.35 -0.09 0.77 0.09 0.00 0.00 178.44 179.53 3du3 h SER 196 N 0.46 0.00 0.13 -0.43 4.64 -1.04 0.73 113.55 118.05 3du3 h SER 196 Ca 0.13 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.23 3du3 h SER 196 Cb 0.00 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.12 3du3 h SER 196 CO -0.02 0.09 -0.94 0.00 -0.87 0.00 0.00 176.83 175.08 3du3 h ALA 197 N 1.91 -0.06 0.00 5.18 0.00 -0.96 -3.25 119.26 122.09 3du3 h ALA 197 Ca -0.00 -0.71 -0.11 0.00 0.00 0.00 0.00 54.91 54.09 3du3 h ALA 197 Cb 0.16 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3du3 h ALA 197 CO 0.01 0.47 -0.51 0.00 0.00 0.00 0.00 179.25 179.22 3du3 h ALA 198 N 0.17 0.89 -2.26 0.00 0.00 -0.47 0.99 119.26 118.57 3du3 h ALA 198 Ca -0.15 -0.46 -0.59 0.00 0.00 0.00 0.00 54.91 53.70 3du3 h ALA 198 Cb 1.70 -0.08 -0.41 0.00 0.00 0.00 0.00 17.79 19.00 3du3 h ALA 198 CO 0.18 0.64 -0.72 0.09 0.00 0.00 0.00 179.25 179.43 3du3 n ASN 199 N -3.54 2.67 -3.20 0.00 3.02 0.25 -4.76 115.26 109.70 3du3 n ASN 199 Ca -0.00 -3.20 -0.20 0.00 -0.03 0.00 0.00 54.58 51.15 3du3 n ASN 199 Cb 0.61 -0.67 0.18 0.00 -0.61 0.00 0.00 39.78 39.28 3du3 n ASN 199 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3du3 n PRO 200 N 1.20 -2.77 -1.21 3.52 -0.05 -1.23 -4.69 135.00 129.77 3du3 n PRO 200 Ca 0.27 -1.15 -0.35 0.00 -0.05 0.00 0.00 63.50 62.22 3du3 n PRO 200 Cb 0.43 -1.15 0.10 0.00 -0.05 0.00 0.00 33.50 32.83 3du3 n PRO 200 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 175.50 175.84 3du3 n GLU 201 N -3.94 0.29 -1.71 0.54 1.02 -1.26 -4.84 120.64 110.73 3du3 n GLU 201 Ca 0.10 0.15 -0.43 0.00 -0.02 0.00 0.00 57.16 56.97 3du3 n GLU 201 Cb 0.40 -2.13 -0.02 0.00 -0.02 0.00 0.00 31.44 29.67 3du3 n GLU 201 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3du3 n LYS 202 N -1.87 2.51 0.00 3.49 4.81 -1.26 -2.64 118.16 123.19 3du3 n LYS 202 Ca 0.12 0.90 0.00 0.00 -0.87 0.00 0.00 58.31 58.45 3du3 n LYS 202 Cb 0.50 -2.67 0.00 0.00 0.02 0.00 0.00 35.03 32.89 3du3 n LYS 202 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3du3 n GLY 203 N 2.75 2.91 3.82 3.14 0.00 -1.26 -5.00 105.19 111.55 3du3 n GLY 203 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 3du3 n GLY 203 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3du3 s LYS 204 N -0.09 2.72 0.36 1.61 1.02 -1.08 -5.05 119.74 119.23 3du3 s LYS 204 Ca 0.00 0.79 -0.17 0.00 0.02 0.00 0.00 55.97 56.61 3du3 s LYS 204 Cb 0.00 -1.98 -0.10 0.00 -0.52 0.00 0.00 37.83 35.24 3du3 s LYS 204 CO 0.00 -1.21 0.81 -1.21 -0.92 0.00 0.00 175.35 172.82 3du3 s GLU 205 N -5.12 4.07 0.11 1.68 2.02 -1.26 -4.86 118.70 115.35 3du3 s GLU 205 Ca 0.59 0.82 -0.35 0.00 0.02 0.00 0.00 54.97 56.04 3du3 s GLU 205 Cb -0.14 -2.34 -0.17 0.00 0.10 0.00 0.00 34.13 31.58 3du3 s GLU 205 CO 0.54 0.09 1.15 -1.33 0.02 0.00 0.00 175.26 175.73 3du3 n MET 206 N -0.48 0.84 -1.49 1.61 2.81 -1.26 -4.78 117.12 114.36 3du3 n MET 206 Ca 0.05 0.30 -0.30 0.00 -1.81 0.00 0.00 57.70 55.94 3du3 n MET 206 Cb 0.53 -1.80 0.09 0.00 -0.71 0.00 0.00 33.22 31.33 3du3 n MET 206 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3du3 s ARG 207 N -0.10 2.08 0.12 0.03 1.81 0.34 -4.99 118.95 118.25 3du3 s ARG 207 Ca 0.79 0.73 0.02 0.00 -1.72 0.00 0.00 55.73 55.56 3du3 s ARG 207 Cb -0.97 -1.91 -0.04 0.00 -0.45 0.00 0.00 34.95 31.58 3du3 s ARG 207 CO 0.52 -1.64 0.22 0.95 -0.68 0.00 0.00 175.30 174.67 3du3 s THR 208 N -3.10 5.14 -0.01 0.02 -4.23 -1.26 -4.65 115.64 107.55 3du3 s THR 208 Ca 0.61 -0.67 0.21 0.00 -1.18 0.00 0.00 61.69 60.66 3du3 s THR 208 Cb -0.15 -3.59 0.21 0.00 1.34 0.00 0.00 72.50 70.32 3du3 s THR 208 CO 0.55 -0.01 1.62 -0.65 -0.54 0.00 0.00 174.62 175.59 3du3 h PRO 209 N 2.55 0.00 0.00 3.99 0.11 -1.97 0.62 132.00 137.30 3du3 h PRO 209 Ca -0.47 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 3du3 h PRO 209 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3du3 h PRO 209 CO 0.70 0.00 -0.40 -0.44 -0.21 0.00 0.00 178.00 177.65 3du3 h ASP 210 N 0.00 0.00 0.11 -2.05 5.19 -1.99 -2.65 116.42 115.04 3du3 h ASP 210 Ca 0.00 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.21 3du3 h ASP 210 Cb 0.22 0.00 0.02 0.00 0.18 0.00 0.00 39.33 39.76 3du3 h ASP 210 CO 0.00 0.40 -0.85 0.45 -3.12 0.00 0.00 179.24 176.12 3du3 h HIS 211 N 0.00 0.63 -0.88 4.55 3.86 -0.15 -2.69 115.15 120.47 3du3 h HIS 211 Ca -0.00 -0.43 0.03 0.00 -1.16 0.00 0.00 60.37 58.81 3du3 h HIS 211 Cb 1.28 -0.04 -0.05 0.00 1.06 0.00 0.00 27.41 29.66 3du3 h HIS 211 CO 0.00 1.30 0.57 0.00 0.86 0.00 0.00 177.93 180.66 3du3 h ALA 212 N 0.16 1.15 -0.38 2.45 0.00 -1.47 0.34 119.26 121.52 3du3 h ALA 212 Ca -0.14 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 3du3 h ALA 212 Cb 1.62 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 3du3 h ALA 212 CO 0.16 0.44 -0.23 0.00 0.00 0.00 0.00 179.25 179.61 3du3 h ALA 213 N 1.36 0.87 -0.09 0.00 0.00 -1.53 -2.97 119.26 116.90 3du3 h ALA 213 Ca 0.35 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3du3 h ALA 213 Cb -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3du3 h ALA 213 CO -0.11 0.63 -0.23 1.15 0.00 0.00 0.00 179.25 180.69 3du3 h THR 214 N 0.67 1.41 -0.93 0.00 2.02 -1.04 -1.87 112.91 113.17 3du3 h THR 214 Ca 0.09 -1.57 0.20 0.00 0.77 0.00 0.00 66.41 65.90 3du3 h THR 214 Cb 0.74 2.21 -0.11 0.00 -1.74 0.00 0.00 68.15 69.25 3du3 h THR 214 CO 0.06 0.45 0.49 0.15 0.37 0.00 0.00 175.52 177.04 3du3 h PHE 215 N -0.16 0.85 0.04 3.16 3.57 -0.31 0.36 116.94 124.44 3du3 h PHE 215 Ca -0.00 0.04 -0.25 0.00 3.53 0.00 0.00 57.97 61.28 3du3 h PHE 215 Cb 0.84 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.32 3du3 h PHE 215 CO 0.12 0.10 -1.27 0.74 -2.23 0.00 0.00 178.31 175.77 3du3 h PHE 216 N 0.58 0.13 -0.27 0.41 0.04 -1.49 -2.20 116.94 114.15 3du3 h PHE 216 Ca 0.56 -0.10 -0.11 0.00 2.80 0.00 0.00 57.97 61.11 3du3 h PHE 216 Cb 0.95 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 39.08 3du3 h PHE 216 CO -0.07 1.10 -0.30 0.00 -0.60 0.00 0.00 178.31 178.44 3du3 h ARG 217 N 0.02 0.56 -0.38 1.51 3.08 -0.35 -2.28 114.38 116.53 3du3 h ARG 217 Ca -0.12 -0.24 -0.15 0.00 0.07 0.00 0.00 59.98 59.54 3du3 h ARG 217 Cb 1.89 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.91 3du3 h ARG 217 CO 0.13 0.80 -0.33 -0.44 -1.07 0.00 0.00 179.97 179.06 3du3 h ASP 218 N 0.48 0.95 0.43 7.04 3.32 -0.32 0.17 116.42 128.49 3du3 h ASP 218 Ca 0.06 -0.45 -0.02 0.00 0.02 0.00 0.00 57.03 56.63 3du3 h ASP 218 Cb 0.77 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.05 3du3 h ASP 218 CO 0.06 1.20 -0.21 0.25 -1.72 0.00 0.00 179.24 178.83 3du3 h LEU 219 N 0.71 -0.49 -1.66 1.55 5.85 -1.24 -3.39 115.31 116.64 3du3 h LEU 219 Ca 0.07 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.68 3du3 h LEU 219 Cb 0.92 0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.07 3du3 h LEU 219 CO 0.08 -0.09 0.00 1.33 -0.34 0.00 0.00 178.44 179.43 3du3 n VAL 220 N -5.19 0.39 -1.96 1.05 0.24 -0.87 -5.02 118.33 106.97 3du3 n VAL 220 Ca -0.10 -0.56 -0.06 0.00 -2.04 0.00 0.00 64.34 61.59 3du3 n VAL 220 Cb 0.29 0.93 -0.01 0.00 -1.47 0.00 0.00 33.84 33.58 3du3 n VAL 220 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3du3 n GLY 221 N -0.20 0.24 3.62 7.63 0.00 0.58 -5.00 105.19 112.06 3du3 n GLY 221 Ca 0.00 -0.66 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 3du3 n GLY 221 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3du3 s TYR 222 N -2.29 -0.40 -0.08 1.61 5.04 -1.22 -4.90 117.35 115.12 3du3 s TYR 222 Ca 0.00 0.88 -0.01 0.00 -2.44 0.00 0.00 57.07 55.49 3du3 s TYR 222 Cb 0.00 0.40 0.03 0.00 0.35 0.00 0.00 41.96 42.74 3du3 s TYR 222 CO 0.00 -0.25 0.00 0.45 -1.34 0.00 0.00 175.55 174.41 3du3 s SER 223 N -0.29 1.69 0.42 4.32 0.15 -1.26 -4.07 113.70 114.65 3du3 s SER 223 Ca 0.02 -0.14 0.23 0.00 0.70 0.00 0.00 55.95 56.76 3du3 s SER 223 Cb -0.03 -0.46 0.76 0.00 -1.71 0.00 0.00 66.02 64.57 3du3 s SER 223 CO -0.04 -0.20 1.75 -0.29 1.20 0.00 0.00 173.24 175.66 3du3 h ILE 224 N 6.33 0.55 0.00 6.45 2.10 -1.98 -3.50 117.51 127.47 3du3 h ILE 224 Ca -0.20 -1.27 0.00 0.00 1.08 0.00 0.00 64.86 64.47 3du3 h ILE 224 Cb 1.12 1.88 0.00 0.00 -1.09 0.00 0.00 36.82 38.73 3du3 h ILE 224 CO 0.27 0.24 0.00 0.61 -1.08 0.00 0.00 178.15 178.19 3du3 n GLY 225 N 0.38 -3.36 0.10 8.18 0.00 -1.26 -4.08 105.19 105.16 3du3 n GLY 225 Ca 0.01 -1.84 -0.07 0.00 0.00 0.00 0.00 46.02 44.12 3du3 n GLY 225 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3du3 h THR 226 N 0.00 1.57 0.00 2.61 1.35 -1.97 -2.19 112.91 114.28 3du3 h THR 226 Ca 0.00 -2.84 -0.13 0.00 -0.55 0.00 0.00 66.41 62.90 3du3 h THR 226 Cb 0.00 2.56 -0.02 0.00 -1.73 0.00 0.00 68.15 68.96 3du3 h THR 226 CO 0.00 0.82 -0.80 0.25 -0.25 0.00 0.00 175.52 175.53 3du3 h LEU 227 N 0.04 0.00 0.15 3.87 5.85 -2.00 -3.34 115.31 119.88 3du3 h LEU 227 Ca -0.03 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 3du3 h LEU 227 Cb 1.54 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.57 3du3 h LEU 227 CO 0.12 0.54 -0.07 1.23 -0.34 0.00 0.00 178.44 179.92 3du3 h GLY 228 N 3.55 -0.22 2.00 3.75 0.00 -1.70 -2.21 103.07 108.24 3du3 h GLY 228 Ca -0.05 0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.33 3du3 h GLY 228 CO 0.06 -0.08 -0.15 1.19 0.00 0.00 0.00 176.54 177.56 3du3 h ILE 229 N -0.82 0.60 0.14 2.60 6.09 -1.58 0.29 117.51 124.84 3du3 h ILE 229 Ca -0.02 -0.68 -0.29 0.00 -1.37 0.00 0.00 64.86 62.51 3du3 h ILE 229 Cb 0.53 1.44 0.01 0.00 0.47 0.00 0.00 36.82 39.27 3du3 h ILE 229 CO 0.03 0.15 -1.30 0.45 -3.07 0.00 0.00 178.15 174.41 3du3 h HIS 230 N 0.00 0.56 -0.28 2.19 3.86 -1.68 -1.56 115.15 118.24 3du3 h HIS 230 Ca -0.00 -0.41 -0.14 0.00 -1.16 0.00 0.00 60.37 58.66 3du3 h HIS 230 Cb 0.43 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.86 3du3 h HIS 230 CO 0.00 1.33 -0.40 0.00 0.86 0.00 0.00 177.93 179.72 3du3 h ARG 231 N 0.08 0.67 0.42 2.45 3.08 -0.72 -2.87 114.38 117.48 3du3 h ARG 231 Ca -0.16 -0.34 -0.02 0.00 0.07 0.00 0.00 59.98 59.53 3du3 h ARG 231 Cb 2.00 0.01 0.00 0.00 0.08 0.00 0.00 29.97 32.07 3du3 h ARG 231 CO 0.21 0.95 -0.20 1.25 -1.07 0.00 0.00 179.97 181.11 3du3 h LEU 232 N 0.55 -0.48 0.06 3.04 5.85 -0.44 -2.61 115.31 121.28 3du3 h LEU 232 Ca 0.05 -0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.77 3du3 h LEU 232 Cb 0.93 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.03 3du3 h LEU 232 CO 0.08 -0.28 -0.36 1.23 -0.34 0.00 0.00 178.44 178.77 3du3 h GLY 233 N -0.64 -0.67 0.07 3.75 0.00 -1.30 0.11 103.07 104.39 3du3 h GLY 233 Ca -0.06 0.44 0.19 0.00 0.00 0.00 0.00 47.33 47.90 3du3 h GLY 233 CO 0.09 -0.25 0.53 -2.00 0.00 0.00 0.00 176.54 174.91 3du3 h LEU 234 N -0.55 0.63 0.19 3.11 5.85 -1.53 -1.99 115.31 121.02 3du3 h LEU 234 Ca 0.04 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 3du3 h LEU 234 Cb 0.61 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.65 3du3 h LEU 234 CO -0.25 0.20 -0.09 0.25 -0.34 0.00 0.00 178.44 178.21 3du3 h LEU 235 N 0.65 -0.22 -0.33 2.25 5.85 -0.95 -2.03 115.31 120.53 3du3 h LEU 235 Ca 0.55 -0.31 0.07 0.00 0.84 0.00 0.00 57.88 59.03 3du3 h LEU 235 Cb 0.89 0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.91 3du3 h LEU 235 CO -0.41 0.31 -0.11 -0.07 -0.34 0.00 0.00 178.44 177.82 3du3 h LEU 236 N -0.86 -0.38 -0.35 2.25 3.38 -0.54 0.20 115.31 119.01 3du3 h LEU 236 Ca -0.03 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 3du3 h LEU 236 Cb 0.52 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 3du3 h LEU 236 CO 0.04 -0.14 0.16 0.77 0.09 0.00 0.00 178.44 179.36 3du3 h SER 237 N -0.03 0.47 -0.20 -0.43 4.64 -1.46 0.25 113.55 116.79 3du3 h SER 237 Ca 0.16 -0.14 -0.05 0.00 -0.47 0.00 0.00 61.79 61.29 3du3 h SER 237 Cb 0.28 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.24 3du3 h SER 237 CO -0.36 0.48 -0.03 -0.07 -0.87 0.00 0.00 176.83 175.97 3du3 h LEU 238 N 0.42 0.48 -0.09 5.97 3.38 -0.97 -2.65 115.31 121.85 3du3 h LEU 238 Ca 0.12 -0.10 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 3du3 h LEU 238 Cb 0.14 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3du3 h LEU 238 CO -0.01 0.57 -0.25 0.28 0.09 0.00 0.00 178.44 179.12 3du3 h SER 239 N 0.48 0.38 -0.44 -0.43 0.02 -0.06 -0.48 113.55 113.03 3du3 h SER 239 Ca 0.10 -0.59 0.09 0.00 -0.84 0.00 0.00 61.79 60.55 3du3 h SER 239 Cb 0.37 -0.11 -0.10 0.00 0.14 0.00 0.00 62.40 62.70 3du3 h SER 239 CO 0.01 0.91 -0.24 0.00 -1.14 0.00 0.00 176.83 176.37 3du3 h ALA 240 N 0.49 0.04 -0.03 3.77 0.00 -0.38 -0.90 119.26 122.24 3du3 h ALA 240 Ca -0.00 0.15 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 3du3 h ALA 240 Cb 0.86 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 3du3 h ALA 240 CO 0.05 -0.61 -0.47 0.28 0.00 0.00 0.00 179.25 178.51 3du3 h VAL 241 N -0.16 1.34 -0.51 0.00 2.07 -1.42 -1.76 116.25 115.81 3du3 h VAL 241 Ca 0.21 -1.63 -0.08 0.00 0.82 0.00 0.00 66.70 66.01 3du3 h VAL 241 Cb 0.48 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 3du3 h VAL 241 CO -0.54 0.47 -0.01 0.15 0.02 0.00 0.00 177.57 177.67 3du3 h PHE 242 N 0.06 1.00 0.00 1.57 3.57 -0.20 -2.27 116.94 120.66 3du3 h PHE 242 Ca 0.00 -0.18 -0.12 0.00 3.53 0.00 0.00 57.97 61.21 3du3 h PHE 242 Cb 0.85 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 39.32 3du3 h PHE 242 CO 0.00 0.93 -0.55 0.74 -2.23 0.00 0.00 178.31 177.20 3du3 h PHE 243 N 0.78 0.00 -0.23 0.41 0.04 -1.06 -2.56 116.94 114.32 3du3 h PHE 243 Ca 0.14 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.90 3du3 h PHE 243 Cb 0.53 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 3du3 h PHE 243 CO 0.04 0.55 0.10 0.77 -0.60 0.00 0.00 178.31 179.17 3du3 h SER 244 N 0.00 0.32 -0.73 2.17 0.02 -1.05 -1.26 113.55 113.01 3du3 h SER 244 Ca -0.01 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 3du3 h SER 244 Cb 1.23 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 63.65 3du3 h SER 244 CO 0.07 0.38 0.42 0.00 -1.14 0.00 0.00 176.83 176.56 3du3 h ALA 245 N 0.95 1.33 -0.30 3.77 0.00 -1.34 -2.95 119.26 120.72 3du3 h ALA 245 Ca 0.08 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 3du3 h ALA 245 Cb 0.16 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 3du3 h ALA 245 CO -0.01 0.55 -0.36 1.25 0.00 0.00 0.00 179.25 180.69 3du3 h LEU 246 N 1.04 0.84 -1.64 0.00 5.85 -1.12 -1.20 115.31 119.08 3du3 h LEU 246 Ca 0.26 -0.49 -0.04 0.00 0.84 0.00 0.00 57.88 58.46 3du3 h LEU 246 Cb 0.01 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 3du3 h LEU 246 CO -0.04 1.16 -0.18 0.00 -0.34 0.00 0.00 178.44 179.03 3du3 h MET 248 N 0.00 0.22 0.00 0.00 2.86 -1.48 -3.08 114.93 113.45 3du3 h MET 248 Ca -0.00 -0.38 -0.02 0.00 -2.06 0.00 0.00 59.70 57.24 3du3 h MET 248 Cb 0.32 0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.12 3du3 h MET 248 CO 0.02 1.18 -0.08 0.97 1.06 0.00 0.00 176.91 180.07 3du3 h ILE 249 N -0.37 0.95 0.00 -1.22 6.09 -1.03 -1.38 117.51 120.55 3du3 h ILE 249 Ca -0.29 -0.27 -0.08 0.00 -1.37 0.00 0.00 64.86 62.86 3du3 h ILE 249 Cb 1.70 1.15 -0.01 0.00 0.47 0.00 0.00 36.82 40.13 3du3 h ILE 249 CO 0.05 0.07 -0.80 0.16 -3.07 0.00 0.00 178.15 174.57 3du3 h ILE 250 N 0.00 0.37 -3.10 2.19 3.07 -1.54 -3.41 117.51 115.09 3du3 h ILE 250 Ca -0.00 -1.61 -0.58 0.00 1.55 0.00 0.00 64.86 64.22 3du3 h ILE 250 Cb 0.14 1.99 -0.06 0.00 -0.27 0.00 0.00 36.82 38.62 3du3 h ILE 250 CO 0.01 0.21 0.77 -0.89 -1.05 0.00 0.00 178.15 177.20 3du3 s THR 251 N -3.10 4.69 0.00 0.16 2.01 -0.52 -2.44 115.64 116.44 3du3 s THR 251 Ca 0.01 1.98 0.00 0.00 0.31 0.00 0.00 61.69 64.00 3du3 s THR 251 Cb 0.08 -4.29 0.00 0.00 0.01 0.00 0.00 72.50 68.30 3du3 s THR 251 CO 0.76 -0.17 0.00 0.61 -0.69 0.00 0.00 174.62 175.13 3du3 n GLY 252 N 3.36 0.94 0.62 4.40 0.00 0.15 -4.86 105.19 109.80 3du3 n GLY 252 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.11 3du3 n GLY 252 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3du3 n THR 253 N -2.00 0.94 0.71 2.61 -2.24 -1.09 -4.78 114.28 108.43 3du3 n THR 253 Ca 0.00 0.27 0.07 0.00 -2.27 0.00 0.00 64.05 62.12 3du3 n THR 253 Cb 0.00 -1.70 -0.07 0.00 -2.10 0.00 0.00 70.33 66.46 3du3 n THR 253 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 3du3 n ILE 254 N -3.48 0.00 -3.65 2.28 -5.35 -1.02 -4.83 119.36 103.31 3du3 n ILE 254 Ca -0.04 -0.18 -0.20 0.00 -0.27 0.00 0.00 62.75 62.06 3du3 n ILE 254 Cb 0.15 1.04 -0.17 0.00 -1.74 0.00 0.00 39.64 38.92 3du3 n ILE 254 CO 0.00 0.00 0.00 0.86 -1.76 0.00 0.00 176.55 175.65 3du3 s TRP 255 N -2.32 -0.03 0.00 4.28 -0.11 -1.06 -5.02 118.94 114.68 3du3 s TRP 255 Ca 0.07 0.31 0.00 0.00 1.22 0.00 0.00 56.10 57.70 3du3 s TRP 255 Cb 0.12 -0.42 0.00 0.00 -1.50 0.00 0.00 33.47 31.67 3du3 s TRP 255 CO 0.58 -0.28 0.30 1.97 -4.62 0.00 0.00 176.95 174.89 3du3 n PHE 256 N 5.31 0.00 -1.29 5.86 1.16 -1.26 0.34 117.46 127.58 3du3 n PHE 256 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.54 3du3 n PHE 256 Cb 0.50 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.37 3du3 n PHE 256 CO 0.00 0.00 0.00 -0.25 -1.87 0.00 0.00 176.76 174.64 3du3 n ASP 257 N -0.09 0.00 -4.70 5.98 8.00 -1.26 -4.94 116.55 119.55 3du3 n ASP 257 Ca 0.00 -0.53 -0.42 0.00 0.71 0.00 0.00 54.79 54.56 3du3 n ASP 257 Cb 0.07 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.14 3du3 n ASP 257 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3du3 s GLN 258 N -0.84 4.47 0.43 -1.24 -1.52 -1.26 -4.77 119.66 114.94 3du3 s GLN 258 Ca 0.00 1.30 0.17 0.00 -1.95 0.00 0.00 55.36 54.88 3du3 s GLN 258 Cb 0.00 -3.50 1.08 0.00 -0.22 0.00 0.00 33.01 30.37 3du3 s GLN 258 CO 0.00 -0.16 1.92 -1.49 -0.25 0.00 0.00 175.29 175.31 3du3 h TRP 259 N 6.96 0.46 0.00 0.91 4.06 -1.69 0.18 115.95 126.82 3du3 h TRP 259 Ca -0.36 0.01 -0.04 0.00 2.06 0.00 0.00 58.89 60.56 3du3 h TRP 259 Cb 1.18 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 29.19 3du3 h TRP 259 CO 0.69 0.17 -0.20 -0.24 -3.56 0.00 0.00 178.44 175.30 3du3 h VAL 260 N 0.39 0.71 0.00 1.49 3.04 -1.82 -2.53 116.25 117.52 3du3 h VAL 260 Ca 0.38 -0.82 -0.03 0.00 -1.01 0.00 0.00 66.70 65.21 3du3 h VAL 260 Cb 0.91 1.51 -0.00 0.00 -2.01 0.00 0.00 31.29 31.70 3du3 h VAL 260 CO -0.12 0.19 -0.14 0.44 -1.01 0.00 0.00 177.57 176.94 3du3 h ASP 261 N 0.00 0.00 0.58 3.17 3.32 -1.03 -3.20 116.42 119.26 3du3 h ASP 261 Ca -0.00 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 3du3 h ASP 261 Cb 0.50 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 3du3 h ASP 261 CO 0.03 0.14 -0.02 -0.25 -1.72 0.00 0.00 179.24 177.41 3du3 h TRP 262 N 0.00 0.00 0.00 4.55 7.01 -1.46 -2.31 115.95 123.74 3du3 h TRP 262 Ca -0.00 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.00 3du3 h TRP 262 Cb 0.94 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.00 3du3 h TRP 262 CO 0.00 0.02 0.00 0.91 -2.79 0.00 0.00 178.44 176.58 3du3 n TRP 263 N -3.16 0.00 0.26 2.65 7.02 -1.21 -3.20 117.44 119.81 3du3 n TRP 263 Ca -0.01 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.59 3du3 n TRP 263 Cb 0.22 -0.31 0.72 0.00 -2.42 0.00 0.00 31.31 29.51 3du3 n TRP 263 CO 0.00 0.00 0.00 1.96 -2.02 0.00 0.00 177.69 177.63 3du3 h GLN 264 N 0.00 0.00 -0.04 -0.99 4.20 -1.65 -2.77 115.11 113.86 3du3 h GLN 264 Ca 0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.72 3du3 h GLN 264 Cb 0.27 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.04 3du3 h GLN 264 CO 0.00 0.11 -0.00 0.11 -0.67 0.00 0.00 178.83 178.38 3du3 h TRP 265 N 0.00 -0.00 -0.17 2.96 5.08 -1.79 0.79 115.95 122.82 3du3 h TRP 265 Ca -0.00 0.00 0.03 0.00 1.08 0.00 0.00 58.89 60.00 3du3 h TRP 265 Cb 0.26 0.01 -0.03 0.00 -3.00 0.00 0.00 29.16 26.40 3du3 h TRP 265 CO 0.00 -0.00 -0.03 2.35 -1.28 0.00 0.00 178.44 179.48 3du3 h TRP 266 N 0.01 -0.07 0.00 0.12 2.91 -1.75 -2.74 115.95 114.44 3du3 h TRP 266 Ca 0.02 0.01 -0.08 0.00 1.13 0.00 0.00 58.89 59.97 3du3 h TRP 266 Cb 0.02 0.06 -0.01 0.00 -0.51 0.00 0.00 29.16 28.71 3du3 h TRP 266 CO -0.10 -0.06 -0.39 -0.24 -1.03 0.00 0.00 178.44 176.62 3du3 h VAL 267 N 0.02 0.93 -0.99 2.65 3.04 -1.43 -3.04 116.25 117.43 3du3 h VAL 267 Ca 0.08 -1.56 -0.57 0.00 -1.01 0.00 0.00 66.70 63.64 3du3 h VAL 267 Cb 0.12 1.94 -0.30 0.00 -2.01 0.00 0.00 31.29 31.04 3du3 h VAL 267 CO -0.16 0.39 0.72 0.29 -1.01 0.00 0.00 177.57 177.79 3du3 n LYS 268 N -3.56 2.41 -3.15 4.17 4.76 0.27 -4.08 118.16 118.98 3du3 n LYS 268 Ca -0.00 -3.12 -0.39 0.00 -2.87 0.00 0.00 58.31 51.93 3du3 n LYS 268 Cb 0.52 -2.21 -0.06 0.00 -1.84 0.00 0.00 35.03 31.43 3du3 n LYS 268 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3du3 s LEU 269 N -3.49 4.53 0.65 -0.35 1.43 -1.15 -4.93 118.68 115.37 3du3 s LEU 269 Ca 0.60 1.39 0.39 0.00 -1.03 0.00 0.00 54.13 55.48 3du3 s LEU 269 Cb 0.49 -3.06 2.19 0.00 0.03 0.00 0.00 46.19 45.84 3du3 s LEU 269 CO 0.07 0.21 2.30 1.55 0.23 0.00 0.00 176.35 180.71 3du3 h PRO 270 N 4.68 0.00 0.00 1.29 0.14 -1.92 -2.69 132.00 133.51 3du3 h PRO 270 Ca -0.48 0.00 -0.09 0.00 0.14 0.00 0.00 66.00 65.57 3du3 h PRO 270 Cb 1.21 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 32.34 3du3 h PRO 270 CO 0.66 0.00 -0.55 -1.49 0.14 0.00 0.00 178.00 176.76 3du3 h TRP 271 N 0.00 0.00 0.00 1.56 6.55 -1.96 -3.37 115.95 118.74 3du3 h TRP 271 Ca 0.01 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.85 3du3 h TRP 271 Cb 0.08 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.38 3du3 h TRP 271 CO 0.00 0.42 -0.02 -2.67 -1.05 0.00 0.00 178.44 175.12 3du3 n TRP 272 N -3.15 0.00 -0.13 0.49 2.14 -1.11 -4.94 117.44 110.74 3du3 n TRP 272 Ca 0.01 -0.19 -0.12 0.00 2.07 0.00 0.00 57.50 59.27 3du3 n TRP 272 Cb 0.71 -0.02 -0.02 0.00 -0.81 0.00 0.00 31.31 31.17 3du3 n TRP 272 CO 0.00 0.00 0.00 0.00 2.07 0.00 0.00 177.69 179.76 3du3 h ALA 273 N 0.00 0.52 -0.19 -1.67 0.00 -1.63 -3.20 119.26 113.10 3du3 h ALA 273 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3du3 h ALA 273 Cb 0.84 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3du3 h ALA 273 CO 0.00 0.43 0.00 0.09 0.00 0.00 0.00 179.25 179.77 3du3 n ASN 274 N -4.31 3.10 -4.70 0.00 4.13 -1.26 -4.96 115.26 107.25 3du3 n ASN 274 Ca -0.02 -1.94 -0.42 0.00 1.68 0.00 0.00 54.58 53.88 3du3 n ASN 274 Cb 0.39 -0.11 -0.03 0.00 -1.54 0.00 0.00 39.78 38.49 3du3 n ASN 274 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3du3 s ILE 275 N -1.64 4.76 0.72 2.41 1.01 -1.21 -5.00 121.20 122.24 3du3 s ILE 275 Ca 0.31 2.00 -0.13 0.00 0.00 0.00 0.00 60.65 62.83 3du3 s ILE 275 Cb 0.20 -4.28 0.03 0.00 0.01 0.00 0.00 42.46 38.42 3du3 s ILE 275 CO 0.29 0.09 1.11 -2.16 0.00 0.00 0.00 174.94 174.26 3du3 s PRO 276 N 1.45 2.49 1.02 2.79 0.05 -1.26 -4.75 135.00 136.79 3du3 s PRO 276 Ca 0.51 1.31 0.00 0.00 0.05 0.00 0.00 61.00 62.87 3du3 s PRO 276 Cb -0.21 -1.92 0.00 0.00 0.05 0.00 0.00 34.50 32.43 3du3 s PRO 276 CO 0.24 -1.48 0.00 0.41 0.05 0.00 0.00 177.00 176.22 3du3 n GLY 277 N -0.77 -1.98 6.30 0.56 0.00 -1.25 -4.98 105.19 103.07 3du3 n GLY 277 Ca 0.10 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.63 3du3 n GLY 277 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3du3 n GLY 278 N 0.00 0.40 0.13 -0.02 0.00 -1.26 -2.75 105.19 101.69 3du3 n GLY 278 Ca 0.00 -0.97 -0.24 0.00 0.00 0.00 0.00 46.02 44.81 3du3 n GLY 278 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3du3 n ILE 279 N 0.00 1.51 -1.62 -0.61 2.08 -1.26 -4.57 119.36 114.90 3du3 n ILE 279 Ca 0.00 -0.48 -0.36 0.00 0.56 0.00 0.00 62.75 62.47 3du3 n ILE 279 Cb 0.00 -1.65 0.06 0.00 -0.75 0.00 0.00 39.64 37.30 3du3 n ILE 279 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 3du3 n ASN 280 N -3.75 7.35 0.00 4.38 3.02 -1.26 -5.26 115.26 119.74 3du3 n ASN 280 Ca -0.50 -3.80 0.00 0.00 -0.03 0.00 0.00 54.58 50.25 3du3 n ASN 280 Cb 0.94 -0.95 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3du3 n ASN 280 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25