#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3du3 s GLU 2 N 0.00 3.15 -0.07 0.00 2.02 -1.26 -4.99 118.70 117.55 3du3 s GLU 2 Ca 0.00 1.36 -0.30 0.00 0.02 0.00 0.00 54.97 56.05 3du3 s GLU 2 Cb 0.00 -2.00 -0.03 0.00 0.10 0.00 0.00 34.13 32.20 3du3 s GLU 2 CO 0.00 -0.96 1.19 -0.47 0.02 0.00 0.00 175.26 175.03 3du3 s TYR 3 N -2.26 3.18 -0.12 1.61 5.04 -1.26 -4.93 117.35 118.61 3du3 s TYR 3 Ca 0.67 1.23 0.16 0.00 -2.44 0.00 0.00 57.07 56.68 3du3 s TYR 3 Cb -0.19 -3.41 -0.10 0.00 0.35 0.00 0.00 41.96 38.60 3du3 s TYR 3 CO 0.36 -1.26 0.94 1.96 -1.34 0.00 0.00 175.55 176.21 3du3 h GLN 4 N 7.50 0.00 -0.62 4.97 1.08 -1.96 -3.50 115.11 122.59 3du3 h GLN 4 Ca -0.33 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.87 3du3 h GLN 4 Cb 1.15 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.58 3du3 h GLN 4 CO 0.89 0.34 0.00 -1.71 -0.95 0.00 0.00 178.83 177.40 3du3 n ASN 5 N -2.96 -1.57 -0.05 1.46 5.15 -1.26 -4.95 115.26 111.08 3du3 n ASN 5 Ca -0.07 0.00 -0.19 0.00 -0.60 0.00 0.00 54.58 53.71 3du3 n ASN 5 Cb 0.83 -0.48 -0.13 0.00 -0.53 0.00 0.00 39.78 39.47 3du3 n ASN 5 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 3du3 n ILE 6 N -2.89 1.67 -4.92 -1.44 2.08 -1.26 -4.89 119.36 107.71 3du3 n ILE 6 Ca 0.00 -0.64 -0.26 0.00 0.56 0.00 0.00 62.75 62.41 3du3 n ILE 6 Cb 0.48 -1.56 -0.15 0.00 -0.75 0.00 0.00 39.64 37.65 3du3 n ILE 6 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 3du3 s PHE 7 N -2.55 1.74 0.52 1.39 2.99 -1.26 -4.75 117.98 116.07 3du3 s PHE 7 Ca -0.26 -0.33 -0.20 0.00 0.00 0.00 0.00 56.93 56.14 3du3 s PHE 7 Cb 0.07 -1.11 -0.06 0.00 0.00 0.00 0.00 43.02 41.92 3du3 s PHE 7 CO 0.71 -0.02 1.14 -1.12 -0.00 0.00 0.00 175.22 175.93 3du3 s SER 8 N -0.52 5.82 -0.06 1.36 0.01 0.45 -4.95 113.70 115.81 3du3 s SER 8 Ca 0.07 2.21 0.14 0.00 1.31 0.00 0.00 55.95 59.69 3du3 s SER 8 Cb -0.08 -2.59 -0.22 0.00 0.21 0.00 0.00 66.02 63.34 3du3 s SER 8 CO -0.01 -1.15 0.57 0.00 0.41 0.00 0.00 173.24 173.07 3du3 n GLN 9 N -1.11 0.64 -3.78 12.44 6.02 -1.26 -4.94 117.38 125.39 3du3 n GLN 9 Ca 0.11 0.23 -0.13 0.00 -0.01 0.00 0.00 57.00 57.20 3du3 n GLN 9 Cb 0.50 -1.74 -0.14 0.00 1.02 0.00 0.00 30.24 29.88 3du3 n GLN 9 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3du3 s VAL 10 N -2.62 -0.03 -0.17 5.09 1.01 -1.26 -5.14 120.40 117.29 3du3 s VAL 10 Ca -0.05 0.10 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 3du3 s VAL 10 Cb 0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 36.38 36.22 3du3 s VAL 10 CO 0.83 0.04 -0.07 -1.10 0.00 0.00 0.00 175.10 174.80 3du3 s GLN 11 N 0.66 3.50 0.05 2.72 -0.21 -1.26 -5.10 119.66 120.03 3du3 s GLN 11 Ca -0.05 -0.60 0.06 0.00 0.02 0.00 0.00 55.36 54.79 3du3 s GLN 11 Cb -0.07 -2.86 -0.04 0.00 1.00 0.00 0.00 33.01 31.05 3du3 s GLN 11 CO -0.03 0.11 -0.13 0.14 -2.12 0.00 0.00 175.29 173.26 3du3 s VAL 12 N 0.67 3.15 0.06 1.09 -7.23 -1.26 -5.14 120.40 111.74 3du3 s VAL 12 Ca -0.04 -1.13 0.07 0.00 -1.81 0.00 0.00 61.98 59.08 3du3 s VAL 12 Cb -0.15 -2.39 -0.03 0.00 0.56 0.00 0.00 36.38 34.38 3du3 s VAL 12 CO 0.02 0.28 -0.19 -0.60 -0.31 0.00 0.00 175.10 174.30 3du3 s ARG 13 N -1.68 1.19 0.35 4.82 3.52 -1.26 -5.08 118.95 120.81 3du3 s ARG 13 Ca 0.17 -0.98 0.02 0.00 -0.13 0.00 0.00 55.73 54.81 3du3 s ARG 13 Cb -0.11 -1.33 -0.01 0.00 -1.56 0.00 0.00 34.95 31.95 3du3 s ARG 13 CO 0.08 0.33 0.42 0.20 -0.81 0.00 0.00 175.30 175.52 3du3 s GLY 14 N -1.43 1.84 0.26 8.12 0.00 -1.26 -5.13 107.32 109.72 3du3 s GLY 14 Ca 0.06 -1.74 -0.31 0.00 0.00 0.00 0.00 44.72 42.72 3du3 s GLY 14 CO 0.02 -1.17 1.55 -1.05 0.00 0.00 0.00 173.10 172.46 3du3 n PRO 15 N -0.61 2.47 -1.66 2.90 -0.02 -1.26 -4.89 135.00 131.93 3du3 n PRO 15 Ca 0.03 0.88 -0.46 0.00 -2.02 0.00 0.00 63.50 61.93 3du3 n PRO 15 Cb 0.62 -2.63 -0.04 0.00 -0.02 0.00 0.00 33.50 31.43 3du3 n PRO 15 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3du3 n ALA 16 N 2.41 1.00 -2.79 3.55 0.00 -1.26 -4.96 120.51 118.45 3du3 n ALA 16 Ca 0.11 0.44 -0.43 0.00 0.00 0.00 0.00 53.44 53.56 3du3 n ALA 16 Cb 0.34 -2.29 -0.04 0.00 0.00 0.00 0.00 19.45 17.46 3du3 n ALA 16 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3du3 s ASP 17 N 0.60 6.23 0.00 0.00 -1.08 -1.26 -4.87 116.67 116.29 3du3 s ASP 17 Ca 0.75 -0.80 0.14 0.00 -0.52 0.00 0.00 52.55 52.11 3du3 s ASP 17 Cb -0.70 -2.41 0.83 0.00 -1.46 0.00 0.00 42.92 39.19 3du3 s ASP 17 CO 0.44 -1.31 1.37 0.18 0.52 0.00 0.00 175.17 176.37 3du3 n LEU 18 N 7.43 0.00 0.00 -1.34 4.77 -1.26 -4.65 117.00 121.94 3du3 n LEU 18 Ca -0.03 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.10 3du3 n LEU 18 Cb 0.46 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.51 3du3 n LEU 18 CO 0.63 0.00 -0.20 0.61 -1.33 0.00 0.00 177.39 177.10 3du3 n GLY 19 N 0.42 -1.84 3.78 -0.72 0.00 -1.26 -4.93 105.19 100.64 3du3 n GLY 19 Ca 0.10 -1.19 -0.35 0.00 0.00 0.00 0.00 46.02 44.59 3du3 n GLY 19 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3du3 s MET 20 N -1.77 3.34 -0.15 1.61 -1.94 -1.26 -5.04 119.30 114.08 3du3 s MET 20 Ca 0.00 1.55 -0.00 0.00 -1.71 0.00 0.00 55.69 55.53 3du3 s MET 20 Cb 0.00 -2.01 -0.09 0.00 2.01 0.00 0.00 34.83 34.74 3du3 s MET 20 CO 0.00 -0.85 -0.15 2.41 -0.01 0.00 0.00 175.02 176.42 3du3 n THR 21 N -1.41 0.88 0.00 2.05 -1.04 -1.26 -4.96 114.28 108.54 3du3 n THR 21 Ca 0.11 -0.32 0.00 0.00 -2.04 0.00 0.00 64.05 61.81 3du3 n THR 21 Cb 0.51 -1.15 0.00 0.00 -1.82 0.00 0.00 70.33 67.87 3du3 n THR 21 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3du3 n GLU 22 N -3.08 0.00 -0.41 -2.82 -0.58 -1.26 -1.58 120.64 110.91 3du3 n GLU 22 Ca -0.28 0.00 0.09 0.00 -0.42 0.00 0.00 57.16 56.55 3du3 n GLU 22 Cb 0.78 0.00 0.28 0.00 -0.57 0.00 0.00 31.44 31.93 3du3 n GLU 22 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3du3 n ASP 23 N 1.31 3.94 -4.77 1.62 8.00 0.50 -4.99 116.55 122.17 3du3 n ASP 23 Ca 0.00 -2.23 -0.39 0.00 0.71 0.00 0.00 54.79 52.88 3du3 n ASP 23 Cb 0.00 -0.45 -0.03 0.00 -0.02 0.00 0.00 41.12 40.62 3du3 n ASP 23 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3du3 s VAL 24 N -1.42 3.24 -0.68 2.53 1.01 -0.62 -4.91 120.40 119.55 3du3 s VAL 24 Ca 0.42 1.15 -0.21 0.00 0.00 0.00 0.00 61.98 63.34 3du3 s VAL 24 Cb 0.25 -3.69 0.08 0.00 0.00 0.00 0.00 36.38 33.03 3du3 s VAL 24 CO 0.24 0.20 0.93 0.21 0.00 0.00 0.00 175.10 176.67 3du3 s ASN 25 N -0.96 6.23 0.22 3.32 2.47 -1.26 -4.89 114.94 120.07 3du3 s ASN 25 Ca 0.51 -1.22 0.18 0.00 0.42 0.00 0.00 52.86 52.75 3du3 s ASN 25 Cb -0.32 -2.39 0.86 0.00 -1.45 0.00 0.00 41.25 37.95 3du3 s ASN 25 CO 0.41 -1.33 1.55 0.18 -3.72 0.00 0.00 177.10 174.19 3du3 n LEU 26 N 7.28 0.44 0.23 3.21 4.77 -1.26 -1.16 117.00 130.51 3du3 n LEU 26 Ca -0.02 0.66 0.07 0.00 -0.03 0.00 0.00 56.01 56.70 3du3 n LEU 26 Cb 0.45 -0.67 0.55 0.00 -2.33 0.00 0.00 43.42 41.43 3du3 n LEU 26 CO 0.61 -0.69 0.90 0.00 -1.33 0.00 0.00 177.39 176.89 3du3 h ALA 27 N 2.13 1.54 -0.22 -1.18 0.00 -2.00 -2.62 119.26 116.91 3du3 h ALA 27 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3du3 h ALA 27 Cb 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3du3 h ALA 27 CO 0.00 0.23 0.00 0.09 0.00 0.00 0.00 179.25 179.57 3du3 n ASN 28 N -4.10 2.10 -4.88 0.00 3.02 -0.31 -4.90 115.26 106.19 3du3 n ASN 28 Ca -0.02 -1.79 -0.33 0.00 -0.03 0.00 0.00 54.58 52.41 3du3 n ASN 28 Cb 0.26 -0.14 -0.05 0.00 -0.61 0.00 0.00 39.78 39.24 3du3 n ASN 28 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3du3 s ARG 29 N -1.72 3.68 0.00 3.52 0.52 -0.99 -2.14 118.95 121.82 3du3 s ARG 29 Ca 0.33 0.03 0.00 0.00 -0.52 0.00 0.00 55.73 55.57 3du3 s ARG 29 Cb 0.18 -2.91 0.00 0.00 0.52 0.00 0.00 34.95 32.75 3du3 s ARG 29 CO 0.27 0.50 0.00 -1.13 0.02 0.00 0.00 175.30 174.97 3du3 n SER 30 N 0.44 -0.19 -4.94 0.23 3.41 0.12 -4.96 113.62 107.72 3du3 n SER 30 Ca -0.05 -0.87 -0.24 0.00 -0.26 0.00 0.00 58.87 57.45 3du3 n SER 30 Cb 0.52 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.45 3du3 n SER 30 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3du3 s GLY 31 N -2.84 1.39 0.56 5.00 0.00 -1.26 -4.66 107.32 105.51 3du3 s GLY 31 Ca 0.00 -0.94 -0.19 0.00 0.00 0.00 0.00 44.72 43.59 3du3 s GLY 31 CO 0.00 -0.89 1.16 0.14 0.00 0.00 0.00 173.10 173.51 3du3 s VAL 32 N -2.20 2.98 0.00 1.40 1.01 -1.26 -4.37 120.40 117.96 3du3 s VAL 32 Ca 0.39 0.61 0.00 0.00 0.00 0.00 0.00 61.98 62.98 3du3 s VAL 32 Cb -0.10 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.04 3du3 s VAL 32 CO 0.34 -0.14 0.00 0.61 0.00 0.00 0.00 175.10 175.91 3du3 n GLY 33 N 0.26 1.56 3.49 4.51 0.00 0.09 -4.96 105.19 110.14 3du3 n GLY 33 Ca 0.12 -2.07 -0.30 0.00 0.00 0.00 0.00 46.02 43.77 3du3 n GLY 33 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3du3 s PRO 34 N -2.04 -1.71 -0.13 1.61 0.04 -1.26 -4.56 135.00 126.95 3du3 s PRO 34 Ca 0.00 0.12 -0.02 0.00 0.04 0.00 0.00 61.00 61.15 3du3 s PRO 34 Cb 0.00 -1.52 -0.02 0.00 0.04 0.00 0.00 34.50 32.99 3du3 s PRO 34 CO 0.00 -4.07 -0.07 -0.06 0.04 0.00 0.00 177.00 172.84 3du3 s PHE 35 N -2.70 2.94 -0.38 0.56 0.40 -1.26 -2.90 117.98 114.65 3du3 s PHE 35 Ca 0.69 -0.32 -0.12 0.00 -0.60 0.00 0.00 56.93 56.58 3du3 s PHE 35 Cb -0.13 -1.87 0.02 0.00 0.51 0.00 0.00 43.02 41.55 3du3 s PHE 35 CO 0.58 -0.00 0.24 0.45 0.70 0.00 0.00 175.22 177.18 3du3 s SER 36 N 0.09 5.89 0.07 1.36 0.15 0.51 -4.92 113.70 116.85 3du3 s SER 36 Ca -0.02 -0.85 0.14 0.00 0.70 0.00 0.00 55.95 55.92 3du3 s SER 36 Cb -0.14 -2.08 0.61 0.00 -1.71 0.00 0.00 66.02 62.70 3du3 s SER 36 CO 0.03 -0.37 1.44 0.41 1.20 0.00 0.00 173.24 175.95 3du3 n THR 37 N 5.07 1.15 -0.04 6.45 -1.04 -1.26 -1.52 114.28 123.08 3du3 n THR 37 Ca -0.12 0.32 -0.05 0.00 -2.04 0.00 0.00 64.05 62.16 3du3 n THR 37 Cb 0.47 -1.17 -0.05 0.00 -1.82 0.00 0.00 70.33 67.77 3du3 n THR 37 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3du3 h LEU 38 N 0.00 -0.03 -2.53 -4.42 5.85 -1.95 -3.18 115.31 109.04 3du3 h LEU 38 Ca 0.00 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 3du3 h LEU 38 Cb 0.21 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 3du3 h LEU 38 CO 0.00 0.62 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.63 3du3 h LEU 39 N -1.00 0.00 -0.57 2.25 3.38 -1.83 -2.89 115.31 114.66 3du3 h LEU 39 Ca -0.00 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.81 3du3 h LEU 39 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3du3 h LEU 39 CO 0.01 0.02 -0.63 1.23 0.09 0.00 0.00 178.44 179.15 3du3 h GLY 40 N 0.23 0.34 2.00 0.83 0.00 -1.31 0.13 103.07 105.29 3du3 h GLY 40 Ca -0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 3du3 h GLY 40 CO 0.00 0.39 -0.09 1.49 0.00 0.00 0.00 176.54 178.33 3du3 h TRP 41 N 0.23 0.00 0.00 5.60 4.06 -1.48 -3.37 115.95 120.99 3du3 h TRP 41 Ca -0.01 0.00 -0.17 0.00 2.06 0.00 0.00 58.89 60.77 3du3 h TRP 41 Cb 1.16 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 29.30 3du3 h TRP 41 CO 0.03 0.09 -1.57 0.34 -3.56 0.00 0.00 178.44 173.77 3du3 n PHE 42 N -3.23 0.00 -3.26 0.49 7.35 -1.18 -0.41 117.46 117.22 3du3 n PHE 42 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3du3 n PHE 42 Cb 0.36 -0.37 0.00 0.00 0.35 0.00 0.00 39.48 39.82 3du3 n PHE 42 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3du3 n GLY 43 N 2.54 5.58 3.71 7.13 0.00 0.45 -4.87 105.19 119.73 3du3 n GLY 43 Ca -0.19 -1.69 -0.31 0.00 0.00 0.00 0.00 46.02 43.83 3du3 n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3du3 s ASN 44 N 0.48 3.60 0.00 1.61 0.02 -1.26 -3.74 114.94 115.65 3du3 s ASN 44 Ca 0.00 2.05 0.16 0.00 -1.02 0.00 0.00 52.86 54.05 3du3 s ASN 44 Cb 0.00 -2.55 0.01 0.00 0.02 0.00 0.00 41.25 38.73 3du3 s ASN 44 CO 0.00 -2.65 0.86 0.00 0.02 0.00 0.00 177.10 175.33 3du3 n ALA 45 N -3.89 3.09 -2.67 0.60 0.00 -1.26 -4.03 120.51 112.35 3du3 n ALA 45 Ca 0.11 -0.54 -0.40 0.00 0.00 0.00 0.00 53.44 52.60 3du3 n ALA 45 Cb 0.52 -0.55 -0.05 0.00 0.00 0.00 0.00 19.45 19.37 3du3 n ALA 45 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3du3 s GLN 46 N -1.82 4.26 -0.12 0.00 0.74 -1.26 -0.36 119.66 121.09 3du3 s GLN 46 Ca 0.14 0.77 -0.03 0.00 0.05 0.00 0.00 55.36 56.28 3du3 s GLN 46 Cb 0.13 -3.57 -0.03 0.00 1.10 0.00 0.00 33.01 30.64 3du3 s GLN 46 CO 0.38 -0.25 0.00 -0.51 -0.55 0.00 0.00 175.29 174.36 3du3 s LEU 47 N 1.92 3.56 0.00 3.68 1.43 -1.14 -4.98 118.68 123.15 3du3 s LEU 47 Ca 0.33 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.50 3du3 s LEU 47 Cb -0.16 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.22 3du3 s LEU 47 CO 0.11 0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.60 3du3 n GLY 48 N 2.71 -2.05 3.82 -3.19 0.00 -1.26 -0.73 105.19 104.50 3du3 n GLY 48 Ca -0.18 -1.39 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 3du3 n GLY 48 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3du3 s PRO 49 N -0.95 2.46 0.31 1.61 0.05 -1.26 -4.70 135.00 132.51 3du3 s PRO 49 Ca 0.00 0.67 0.09 0.00 0.05 0.00 0.00 61.00 61.81 3du3 s PRO 49 Cb 0.00 -1.96 -0.04 0.00 0.05 0.00 0.00 34.50 32.55 3du3 s PRO 49 CO 0.00 -1.37 0.05 -1.50 0.05 0.00 0.00 177.00 174.23 3du3 s ILE 50 N -3.17 3.14 -0.38 0.56 2.07 -1.26 -4.92 121.20 117.23 3du3 s ILE 50 Ca 0.59 -1.85 -0.07 0.00 -1.41 0.00 0.00 60.65 57.91 3du3 s ILE 50 Cb -0.14 -2.88 0.06 0.00 0.13 0.00 0.00 42.46 39.64 3du3 s ILE 50 CO 0.54 -0.27 0.19 -0.47 -1.91 0.00 0.00 174.94 173.01 3du3 s TYR 51 N -2.40 3.33 0.13 3.50 6.14 -1.26 0.11 117.35 126.90 3du3 s TYR 51 Ca 0.34 -1.57 0.03 0.00 0.64 0.00 0.00 57.07 56.51 3du3 s TYR 51 Cb -0.04 -2.69 -0.04 0.00 0.42 0.00 0.00 41.96 39.62 3du3 s TYR 51 CO 0.21 -0.81 0.23 -0.51 0.64 0.00 0.00 175.55 175.31 3du3 s LEU 52 N 1.39 4.20 0.00 6.97 1.43 -0.91 -4.87 118.68 126.89 3du3 s LEU 52 Ca 0.02 0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.23 3du3 s LEU 52 Cb -0.21 -2.79 0.00 0.00 0.03 0.00 0.00 46.19 43.21 3du3 s LEU 52 CO 0.02 0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.29 3du3 n GLY 53 N -0.28 0.41 0.26 -3.19 0.00 -1.26 -4.65 105.19 96.48 3du3 n GLY 53 Ca -0.07 -0.76 -0.03 0.00 0.00 0.00 0.00 46.02 45.16 3du3 n GLY 53 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3du3 n SER 54 N 0.00 -0.54 0.07 1.61 7.64 -1.26 0.17 113.62 121.31 3du3 n SER 54 Ca 0.00 1.17 -0.04 0.00 1.01 0.00 0.00 58.87 61.01 3du3 n SER 54 Cb 0.00 -0.22 0.17 0.00 -1.01 0.00 0.00 64.21 63.16 3du3 n SER 54 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3du3 h LEU 55 N 0.00 0.32 -0.28 -3.43 3.38 -1.95 -1.28 115.31 112.07 3du3 h LEU 55 Ca 0.18 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3du3 h LEU 55 Cb 0.34 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3du3 h LEU 55 CO -0.64 0.74 0.13 1.23 0.09 0.00 0.00 178.44 179.99 3du3 h GLY 56 N 1.26 0.44 0.73 0.83 0.00 0.14 -1.90 103.07 104.57 3du3 h GLY 56 Ca 0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 3du3 h GLY 56 CO 0.07 0.21 0.00 -2.08 0.00 0.00 0.00 176.54 174.75 3du3 h VAL 57 N 0.32 1.24 -0.05 4.60 2.07 -0.39 0.93 116.25 124.98 3du3 h VAL 57 Ca 0.10 -0.74 0.04 0.00 0.82 0.00 0.00 66.70 66.91 3du3 h VAL 57 Cb 0.14 1.64 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 3du3 h VAL 57 CO -0.01 0.20 -0.25 0.25 0.02 0.00 0.00 177.57 177.79 3du3 h LEU 58 N -0.19 -0.74 0.10 2.57 5.85 -1.25 0.41 115.31 122.06 3du3 h LEU 58 Ca 0.02 0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.86 3du3 h LEU 58 Cb 0.32 0.31 -0.05 0.00 0.37 0.00 0.00 40.66 41.62 3du3 h LEU 58 CO 0.00 -0.31 -0.43 -1.28 -0.34 0.00 0.00 178.44 176.08 3du3 h SER 59 N -0.36 -1.28 -0.74 1.25 0.87 -1.28 0.10 113.55 112.11 3du3 h SER 59 Ca 0.08 0.14 0.08 0.00 -1.23 0.00 0.00 61.79 60.86 3du3 h SER 59 Cb 0.46 0.48 -0.07 0.00 -0.44 0.00 0.00 62.40 62.84 3du3 h SER 59 CO -0.25 -0.49 0.41 0.25 -0.53 0.00 0.00 176.83 176.22 3du3 h LEU 60 N -0.65 0.58 0.02 2.23 5.85 -0.42 0.26 115.31 123.19 3du3 h LEU 60 Ca 0.02 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 3du3 h LEU 60 Cb 0.68 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.65 3du3 h LEU 60 CO -0.26 0.35 -0.01 0.15 -0.34 0.00 0.00 178.44 178.33 3du3 h PHE 61 N 0.71 -0.03 -0.61 1.25 3.57 0.19 -2.07 116.94 119.95 3du3 h PHE 61 Ca 0.35 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.85 3du3 h PHE 61 Cb 0.30 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 3du3 h PHE 61 CO -0.08 0.34 0.37 0.77 -2.23 0.00 0.00 178.31 177.48 3du3 h SER 62 N -0.40 0.72 -0.63 0.41 0.02 -0.50 -1.23 113.55 111.95 3du3 h SER 62 Ca -0.00 -0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.89 3du3 h SER 62 Cb 0.38 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 3du3 h SER 62 CO 0.01 0.55 0.32 1.23 -1.14 0.00 0.00 176.83 177.80 3du3 h GLY 63 N 0.87 0.99 1.39 -3.77 0.00 -0.31 -0.30 103.07 101.95 3du3 h GLY 63 Ca 0.22 -0.47 -0.31 0.00 0.00 0.00 0.00 47.33 46.78 3du3 h GLY 63 CO -0.04 0.45 -1.41 1.41 0.00 0.00 0.00 176.54 176.94 3du3 h LEU 64 N 0.93 0.57 -1.31 3.11 3.38 -0.95 -2.54 115.31 118.49 3du3 h LEU 64 Ca 0.23 -0.65 0.03 0.00 0.09 0.00 0.00 57.88 57.57 3du3 h LEU 64 Cb 0.09 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 3du3 h LEU 64 CO -0.03 1.52 0.48 0.24 0.09 0.00 0.00 178.44 180.74 3du3 h MET 65 N 0.10 0.88 0.11 1.13 2.86 -0.86 0.52 114.93 119.67 3du3 h MET 65 Ca -0.21 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.37 3du3 h MET 65 Cb 2.06 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 33.52 3du3 h MET 65 CO 0.22 0.58 -0.05 2.35 1.06 0.00 0.00 176.91 181.07 3du3 h TRP 66 N 0.91 -0.14 -0.33 -0.22 7.01 -1.06 0.14 115.95 122.26 3du3 h TRP 66 Ca 0.28 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.26 3du3 h TRP 66 Cb 0.01 0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 27.10 3du3 h TRP 66 CO -0.00 0.19 0.14 0.35 -2.79 0.00 0.00 178.44 176.32 3du3 h PHE 67 N -0.47 0.46 0.15 2.65 3.57 -1.00 -3.06 116.94 119.24 3du3 h PHE 67 Ca -0.01 -0.01 -0.35 0.00 3.53 0.00 0.00 57.97 61.12 3du3 h PHE 67 Cb 0.38 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 3du3 h PHE 67 CO 0.03 0.36 -1.86 0.74 -2.23 0.00 0.00 178.31 175.35 3du3 h PHE 68 N 0.47 0.57 -0.34 0.41 0.04 0.24 -2.89 116.94 115.44 3du3 h PHE 68 Ca 0.12 -0.42 0.10 0.00 2.80 0.00 0.00 57.97 60.57 3du3 h PHE 68 Cb 0.09 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 3du3 h PHE 68 CO 0.00 1.73 0.29 1.15 -0.60 0.00 0.00 178.31 180.88 3du3 h THR 69 N 0.05 0.61 0.24 -1.55 2.02 -0.73 0.23 112.91 113.78 3du3 h THR 69 Ca -0.39 0.00 -0.34 0.00 0.77 0.00 0.00 66.41 66.46 3du3 h THR 69 Cb 2.04 0.78 0.03 0.00 -1.74 0.00 0.00 68.15 69.26 3du3 h THR 69 CO 0.12 0.00 -1.51 0.40 0.37 0.00 0.00 175.52 174.90 3du3 h ILE 70 N 0.00 1.25 -0.32 3.11 2.04 -1.61 -3.23 117.51 118.75 3du3 h ILE 70 Ca 0.16 -2.70 0.00 0.00 1.00 0.00 0.00 64.86 63.32 3du3 h ILE 70 Cb 0.74 3.01 -0.02 0.00 -0.74 0.00 0.00 36.82 39.81 3du3 h ILE 70 CO -0.00 0.82 0.21 1.23 0.00 0.00 0.00 178.15 180.41 3du3 h GLY 71 N 0.31 0.46 1.69 5.37 0.00 -0.55 -0.62 103.07 109.75 3du3 h GLY 71 Ca -0.26 -0.18 -0.06 0.00 0.00 0.00 0.00 47.33 46.83 3du3 h GLY 71 CO 0.26 0.18 -0.10 -2.22 0.00 0.00 0.00 176.54 174.66 3du3 h ILE 72 N 0.43 1.20 -0.37 2.60 2.04 -0.82 -2.06 117.51 120.52 3du3 h ILE 72 Ca 0.12 -0.87 -0.13 0.00 1.00 0.00 0.00 64.86 64.98 3du3 h ILE 72 Cb -0.02 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 3du3 h ILE 72 CO -0.02 0.28 -0.29 -0.25 0.00 0.00 0.00 178.15 177.86 3du3 h TRP 73 N 0.36 1.01 0.05 1.37 2.91 -1.34 -2.37 115.95 117.94 3du3 h TRP 73 Ca 0.07 -0.28 -0.00 0.00 1.13 0.00 0.00 58.89 59.80 3du3 h TRP 73 Cb 0.41 -0.22 0.00 0.00 -0.51 0.00 0.00 29.16 28.84 3du3 h TRP 73 CO 0.01 1.08 -0.02 0.74 -1.03 0.00 0.00 178.44 179.21 3du3 h PHE 74 N 0.66 -0.06 -0.66 2.65 -1.00 -0.93 -1.62 116.94 115.98 3du3 h PHE 74 Ca 0.07 -0.00 0.07 0.00 2.81 0.00 0.00 57.97 60.92 3du3 h PHE 74 Cb 0.87 0.02 -0.06 0.00 3.61 0.00 0.00 35.95 40.39 3du3 h PHE 74 CO 0.06 0.07 0.34 -1.49 -1.61 0.00 0.00 178.31 175.68 3du3 h TRP 75 N -0.18 0.61 -0.71 -0.55 4.06 -1.33 0.19 115.95 118.04 3du3 h TRP 75 Ca -0.01 0.03 -0.03 0.00 2.06 0.00 0.00 58.89 60.93 3du3 h TRP 75 Cb 0.16 -0.18 -0.03 0.00 -1.00 0.00 0.00 29.16 28.11 3du3 h TRP 75 CO -0.04 0.26 0.31 -0.92 -3.56 0.00 0.00 178.44 174.49 3du3 h TYR 76 N 0.61 1.04 -0.70 0.49 3.20 -1.35 0.98 116.97 121.24 3du3 h TYR 76 Ca 0.31 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 62.11 3du3 h TYR 76 Cb 0.26 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 38.18 3du3 h TYR 76 CO -0.10 0.78 0.40 1.96 -1.64 0.00 0.00 178.16 179.56 3du3 h GLN 77 N 1.02 0.96 0.00 1.82 4.20 0.26 -1.77 115.11 121.60 3du3 h GLN 77 Ca 0.24 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.86 3du3 h GLN 77 Cb 0.16 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 27.74 3du3 h GLN 77 CO -0.02 0.69 0.00 0.00 -0.67 0.00 0.00 178.83 178.83 3du3 n ALA 78 N -2.43 2.30 -2.46 3.87 0.00 0.33 -4.82 120.51 117.30 3du3 n ALA 78 Ca 0.07 -0.13 -0.13 0.00 0.00 0.00 0.00 53.44 53.24 3du3 n ALA 78 Cb 0.08 -1.37 0.01 0.00 0.00 0.00 0.00 19.45 18.17 3du3 n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3du3 n GLY 79 N 0.47 -0.12 2.81 0.00 0.00 -0.66 -2.79 105.19 104.90 3du3 n GLY 79 Ca 0.16 -0.29 -0.21 0.00 0.00 0.00 0.00 46.02 45.68 3du3 n GLY 79 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3du3 n TRP 80 N -4.02 -1.60 -4.10 1.61 7.02 0.23 -4.97 117.44 111.60 3du3 n TRP 80 Ca -0.12 0.30 -0.34 0.00 -1.02 0.00 0.00 57.50 56.32 3du3 n TRP 80 Cb 0.60 -3.93 -0.14 0.00 -2.42 0.00 0.00 31.31 25.42 3du3 n TRP 80 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 3du3 s ASN 81 N -2.43 4.20 0.44 -0.99 3.84 -1.12 -5.00 114.94 113.87 3du3 s ASN 81 Ca 0.19 -0.38 0.16 0.00 0.21 0.00 0.00 52.86 53.04 3du3 s ASN 81 Cb -0.09 -1.70 0.98 0.00 -0.55 0.00 0.00 41.25 39.89 3du3 s ASN 81 CO 0.24 0.03 1.95 1.55 -2.79 0.00 0.00 177.10 178.08 3du3 h PRO 82 N 7.76 0.00 -0.16 0.43 0.14 -1.93 0.97 132.00 139.22 3du3 h PRO 82 Ca -0.38 0.00 -0.09 0.00 0.14 0.00 0.00 66.00 65.66 3du3 h PRO 82 Cb 1.17 0.00 -0.00 0.00 0.14 0.00 0.00 31.00 32.31 3du3 h PRO 82 CO 0.60 0.23 -0.27 0.00 0.14 0.00 0.00 178.00 178.70 3du3 h ALA 83 N 1.77 0.25 -0.07 -0.56 0.00 -1.96 -3.05 119.26 115.63 3du3 h ALA 83 Ca -0.00 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 3du3 h ALA 83 Cb 0.42 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3du3 h ALA 83 CO 0.03 0.24 -0.07 0.28 0.00 0.00 0.00 179.25 179.73 3du3 h VAL 84 N 0.09 1.36 -0.84 0.00 2.07 -1.83 -2.35 116.25 114.76 3du3 h VAL 84 Ca 0.01 -1.21 0.21 0.00 0.82 0.00 0.00 66.70 66.53 3du3 h VAL 84 Cb 0.85 2.01 -0.14 0.00 -1.52 0.00 0.00 31.29 32.48 3du3 h VAL 84 CO 0.06 0.34 0.09 0.15 0.02 0.00 0.00 177.57 178.23 3du3 h PHE 85 N -0.25 0.10 0.00 1.57 3.57 -0.91 0.28 116.94 121.31 3du3 h PHE 85 Ca 0.01 0.06 -0.17 0.00 3.53 0.00 0.00 57.97 61.40 3du3 h PHE 85 Cb 0.57 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.38 3du3 h PHE 85 CO 0.09 -0.26 -0.81 -0.07 -2.23 0.00 0.00 178.31 175.04 3du3 h LEU 86 N 0.13 0.00 0.13 0.59 3.38 -1.48 -2.93 115.31 115.13 3du3 h LEU 86 Ca 0.49 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 58.27 3du3 h LEU 86 Cb 0.94 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.71 3du3 h LEU 86 CO -0.70 0.81 -0.81 -0.09 0.09 0.00 0.00 178.44 177.74 3du3 h ARG 87 N 0.00 0.32 -0.86 1.13 2.43 -0.53 -3.37 114.38 113.50 3du3 h ARG 87 Ca -0.01 -0.52 -0.35 0.00 -0.81 0.00 0.00 59.98 58.29 3du3 h ARG 87 Cb 1.60 0.19 -0.21 0.00 -0.42 0.00 0.00 29.97 31.13 3du3 h ARG 87 CO 0.10 1.23 0.45 -0.25 -1.51 0.00 0.00 179.97 179.99 3du3 n ASP 88 N -4.12 4.41 0.27 -3.80 8.00 0.83 -4.78 116.55 117.36 3du3 n ASP 88 Ca -0.13 -3.39 0.14 0.00 0.71 0.00 0.00 54.79 52.11 3du3 n ASP 88 Cb 0.81 -0.79 0.76 0.00 -0.02 0.00 0.00 41.12 41.88 3du3 n ASP 88 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3du3 h LEU 89 N 1.98 0.00 0.00 0.64 5.85 -1.69 -2.19 115.31 119.90 3du3 h LEU 89 Ca 0.43 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.15 3du3 h LEU 89 Cb 2.59 0.00 0.00 0.00 0.37 0.00 0.00 40.66 43.62 3du3 h LEU 89 CO 0.91 0.10 -1.40 0.49 -0.34 0.00 0.00 178.44 178.20 3du3 n PHE 90 N -3.49 0.00 0.26 1.25 3.01 -1.26 -4.18 117.46 113.05 3du3 n PHE 90 Ca -0.01 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.56 3du3 n PHE 90 Cb 0.24 -0.22 0.11 0.00 -0.01 0.00 0.00 39.48 39.60 3du3 n PHE 90 CO 0.00 0.00 0.00 0.74 1.01 0.00 0.00 176.76 178.51 3du3 h PHE 91 N 0.00 0.00 -4.04 1.38 0.04 -1.76 -1.83 116.94 110.73 3du3 h PHE 91 Ca 0.00 0.00 -0.49 0.00 2.80 0.00 0.00 57.97 60.28 3du3 h PHE 91 Cb 0.68 0.00 0.05 0.00 2.20 0.00 0.00 35.95 38.88 3du3 h PHE 91 CO 0.00 0.00 0.43 -0.06 -0.60 0.00 0.00 178.31 178.08 3du3 s PHE 92 N -3.27 2.90 -0.20 -0.55 0.08 -1.05 -4.89 117.98 111.00 3du3 s PHE 92 Ca 0.04 1.57 -0.18 0.00 0.12 0.00 0.00 56.93 58.48 3du3 s PHE 92 Cb 0.09 -3.23 0.05 0.00 -0.57 0.00 0.00 43.02 39.37 3du3 s PHE 92 CO 0.73 -1.22 0.53 0.45 -0.10 0.00 0.00 175.22 175.61 3du3 s SER 93 N -1.69 -0.57 -0.37 1.36 0.15 -1.26 -4.16 113.70 107.15 3du3 s SER 93 Ca 0.67 1.08 -0.05 0.00 0.70 0.00 0.00 55.95 58.34 3du3 s SER 93 Cb -0.23 1.08 0.07 0.00 -1.71 0.00 0.00 66.02 65.23 3du3 s SER 93 CO 0.27 -0.19 0.15 -0.22 1.20 0.00 0.00 173.24 174.45 3du3 s LEU 94 N 0.45 4.68 0.04 3.45 2.96 -0.77 -4.98 118.68 124.52 3du3 s LEU 94 Ca -0.01 -1.47 -0.01 0.00 -0.22 0.00 0.00 54.13 52.42 3du3 s LEU 94 Cb -0.04 -1.86 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 3du3 s LEU 94 CO -0.02 -0.42 0.20 -1.61 -1.32 0.00 0.00 176.35 173.18 3du3 s GLU 95 N 1.32 3.42 1.13 1.98 0.41 -1.26 -0.78 118.70 124.91 3du3 s GLU 95 Ca 0.01 -0.42 -0.13 0.00 -0.41 0.00 0.00 54.97 54.02 3du3 s GLU 95 Cb -0.21 -3.04 0.26 0.00 -1.78 0.00 0.00 34.13 29.35 3du3 s GLU 95 CO 0.00 0.63 1.05 -1.25 -0.49 0.00 0.00 175.26 175.20 3du3 s PRO 96 N -2.34 -0.60 0.71 0.39 0.04 -1.26 -4.48 135.00 127.45 3du3 s PRO 96 Ca 0.32 0.62 -0.15 0.00 0.04 0.00 0.00 61.00 61.83 3du3 s PRO 96 Cb -0.13 -1.61 0.03 0.00 0.04 0.00 0.00 34.50 32.83 3du3 s PRO 96 CO 0.25 -3.46 1.19 -1.25 0.04 0.00 0.00 177.00 173.77 3du3 s PRO 97 N -4.70 2.31 0.79 0.56 0.04 -1.26 -4.75 135.00 127.99 3du3 s PRO 97 Ca 0.67 1.70 -0.14 0.00 0.04 0.00 0.00 61.00 63.27 3du3 s PRO 97 Cb -0.22 -1.86 0.07 0.00 0.04 0.00 0.00 34.50 32.54 3du3 s PRO 97 CO 0.62 -1.69 1.22 0.00 0.04 0.00 0.00 177.00 177.18 3du3 s ALA 98 N -2.02 1.89 -0.52 8.56 0.00 -1.26 -3.10 121.76 125.30 3du3 s ALA 98 Ca 0.73 0.89 0.11 0.00 0.00 0.00 0.00 51.96 53.69 3du3 s ALA 98 Cb -0.28 -3.50 0.59 0.00 0.00 0.00 0.00 23.12 19.93 3du3 s ALA 98 CO 0.44 -2.24 1.31 -2.30 0.00 0.00 0.00 175.76 172.97 3du3 n PRO 99 N -3.16 0.07 -0.12 0.00 -0.02 -1.26 -1.92 135.00 128.59 3du3 n PRO 99 Ca 0.14 0.55 -0.03 0.00 -2.02 0.00 0.00 63.50 62.14 3du3 n PRO 99 Cb 0.50 -1.77 0.18 0.00 -0.02 0.00 0.00 33.50 32.39 3du3 n PRO 99 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3du3 h GLU 100 N 0.00 0.81 0.00 -0.52 3.07 -2.00 -2.74 114.58 113.20 3du3 h GLU 100 Ca 0.00 -0.18 0.00 0.00 -0.50 0.00 0.00 59.36 58.68 3du3 h GLU 100 Cb 0.08 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 27.88 3du3 h GLU 100 CO 0.00 0.76 -0.43 0.66 -1.40 0.00 0.00 179.01 178.60 3du3 n TYR 101 N -4.25 0.05 0.00 4.33 4.01 -0.81 -5.02 117.16 115.47 3du3 n TYR 101 Ca 0.03 0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 3du3 n TYR 101 Cb 0.25 -0.33 0.00 0.00 -0.31 0.00 0.00 39.34 38.96 3du3 n TYR 101 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3du3 n GLY 102 N 1.49 3.46 1.94 2.72 0.00 -1.04 -1.17 105.19 112.60 3du3 n GLY 102 Ca 0.06 -0.06 0.02 0.00 0.00 0.00 0.00 46.02 46.03 3du3 n GLY 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3du3 n LEU 103 N 0.00 5.87 -4.85 0.99 4.77 -1.19 -1.85 117.00 120.75 3du3 n LEU 103 Ca 0.00 -3.01 -0.32 0.00 -0.03 0.00 0.00 56.01 52.65 3du3 n LEU 103 Cb 0.00 -0.71 -0.05 0.00 -2.33 0.00 0.00 43.42 40.33 3du3 n LEU 103 CO 0.00 0.69 0.52 -0.94 -1.33 0.00 0.00 177.39 176.33 3du3 s SER 104 N -0.85 6.69 -0.21 -1.43 1.04 -0.31 -4.98 113.70 113.65 3du3 s SER 104 Ca 0.54 1.36 0.15 0.00 0.48 0.00 0.00 55.95 58.49 3du3 s SER 104 Cb 0.42 -2.41 0.77 0.00 0.10 0.00 0.00 66.02 64.90 3du3 s SER 104 CO 0.15 -0.37 1.70 0.49 0.98 0.00 0.00 173.24 176.18 3du3 n PHE 105 N -0.96 1.86 1.11 5.02 3.72 -1.26 -4.40 117.46 122.56 3du3 n PHE 105 Ca 0.04 -0.73 0.12 0.00 -0.05 0.00 0.00 57.45 56.84 3du3 n PHE 105 Cb 0.54 -0.45 0.17 0.00 -0.94 0.00 0.00 39.48 38.80 3du3 n PHE 105 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3du3 n ALA 106 N 0.58 3.03 -1.62 4.37 0.00 -1.26 -4.96 120.51 120.64 3du3 n ALA 106 Ca 0.27 -0.59 -0.42 0.00 0.00 0.00 0.00 53.44 52.70 3du3 n ALA 106 Cb 1.12 -0.91 0.00 0.00 0.00 0.00 0.00 19.45 19.66 3du3 n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3du3 n ALA 107 N 0.27 0.33 -0.96 0.00 0.00 -1.26 -4.97 120.51 113.92 3du3 n ALA 107 Ca 0.12 0.29 -0.30 0.00 0.00 0.00 0.00 53.44 53.56 3du3 n ALA 107 Cb 0.47 -2.10 0.15 0.00 0.00 0.00 0.00 19.45 17.96 3du3 n ALA 107 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3du3 s PRO 108 N -1.89 1.11 0.07 0.00 0.05 -1.26 -3.76 135.00 129.31 3du3 s PRO 108 Ca 0.61 1.14 -0.33 0.00 0.05 0.00 0.00 61.00 62.46 3du3 s PRO 108 Cb -0.59 -1.77 -0.17 0.00 0.05 0.00 0.00 34.50 32.02 3du3 s PRO 108 CO 0.59 -2.44 1.50 -0.07 0.05 0.00 0.00 177.00 176.64 3du3 h LEU 109 N -1.71 -1.16 -0.90 -3.56 3.38 -1.93 1.13 115.31 110.57 3du3 h LEU 109 Ca -0.48 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.56 3du3 h LEU 109 Cb 1.27 0.35 0.00 0.00 0.09 0.00 0.00 40.66 42.37 3du3 h LEU 109 CO 0.49 -0.67 0.00 0.11 0.09 0.00 0.00 178.44 178.46 3du3 h LYS 110 N -1.05 0.00 -0.33 1.13 1.57 -1.99 -2.97 116.57 112.94 3du3 h LYS 110 Ca -0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3du3 h LYS 110 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.17 3du3 h LYS 110 CO 0.06 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.33 3du3 n GLU 111 N -2.35 2.89 0.00 3.15 1.02 -1.13 -4.97 120.64 119.25 3du3 n GLU 111 Ca 0.01 -2.18 0.00 0.00 -0.02 0.00 0.00 57.16 54.97 3du3 n GLU 111 Cb 0.21 -1.37 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 3du3 n GLU 111 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3du3 n GLY 112 N 0.31 1.24 0.36 0.62 0.00 -0.42 -4.36 105.19 102.95 3du3 n GLY 112 Ca 0.13 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.21 3du3 n GLY 112 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3du3 h GLY 113 N 0.00 1.13 1.61 -0.02 0.00 0.12 0.38 103.07 106.27 3du3 h GLY 113 Ca 0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 46.96 3du3 h GLY 113 CO 0.00 0.25 0.13 -2.00 0.00 0.00 0.00 176.54 174.92 3du3 h LEU 114 N 0.87 0.46 -0.64 3.11 5.85 -1.72 -2.04 115.31 121.19 3du3 h LEU 114 Ca 0.35 -0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.93 3du3 h LEU 114 Cb 0.26 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.15 3du3 h LEU 114 CO -0.13 0.44 0.04 -0.25 -0.34 0.00 0.00 178.44 178.20 3du3 h TRP 115 N 0.51 1.19 -0.62 1.25 7.01 -1.19 -2.03 115.95 122.08 3du3 h TRP 115 Ca 0.13 -0.19 -0.05 0.00 2.11 0.00 0.00 58.89 60.88 3du3 h TRP 115 Cb 0.13 -0.32 -0.03 0.00 -2.10 0.00 0.00 29.16 26.85 3du3 h TRP 115 CO 0.01 1.02 0.18 -0.07 -2.79 0.00 0.00 178.44 176.79 3du3 h LEU 116 N 1.01 0.91 0.12 0.65 3.38 -1.20 -0.65 115.31 119.53 3du3 h LEU 116 Ca 0.19 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3du3 h LEU 116 Cb 0.52 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3du3 h LEU 116 CO 0.03 0.88 -0.06 0.40 0.09 0.00 0.00 178.44 179.78 3du3 h ILE 117 N 0.89 0.93 -0.17 1.22 2.04 -1.25 0.52 117.51 121.69 3du3 h ILE 117 Ca 0.20 -0.18 0.04 0.00 1.00 0.00 0.00 64.86 65.92 3du3 h ILE 117 Cb 0.31 1.05 -0.04 0.00 -0.74 0.00 0.00 36.82 37.39 3du3 h ILE 117 CO -0.00 0.04 -0.10 0.00 0.00 0.00 0.00 178.15 178.09 3du3 h ALA 118 N 0.64 0.05 -0.74 1.87 0.00 -1.24 -0.91 119.26 118.93 3du3 h ALA 118 Ca -0.02 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3du3 h ALA 118 Cb 0.19 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 3du3 h ALA 118 CO 0.03 -0.53 0.44 0.77 0.00 0.00 0.00 179.25 179.96 3du3 h SER 119 N -0.09 0.70 -0.68 0.00 0.02 -0.98 0.24 113.55 112.76 3du3 h SER 119 Ca 0.10 0.01 0.07 0.00 -0.84 0.00 0.00 61.79 61.14 3du3 h SER 119 Cb 0.23 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 62.58 3du3 h SER 119 CO -0.23 0.46 0.36 0.15 -1.14 0.00 0.00 176.83 176.43 3du3 h PHE 120 N 0.84 0.65 -0.61 3.45 3.57 0.12 0.72 116.94 125.67 3du3 h PHE 120 Ca 0.31 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.75 3du3 h PHE 120 Cb 0.12 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.64 3du3 h PHE 120 CO -0.05 0.28 0.02 0.74 -2.23 0.00 0.00 178.31 177.06 3du3 h PHE 121 N 0.64 1.17 -0.35 0.41 0.04 -0.37 -2.45 116.94 116.03 3du3 h PHE 121 Ca 0.32 -0.20 -0.09 0.00 2.80 0.00 0.00 57.97 60.80 3du3 h PHE 121 Cb 0.27 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 3du3 h PHE 121 CO -0.09 1.02 -0.14 1.98 -0.60 0.00 0.00 178.31 180.48 3du3 h MET 122 N 0.98 0.71 -0.29 1.51 4.05 0.63 -1.11 114.93 121.42 3du3 h MET 122 Ca 0.18 -0.30 0.06 0.00 -0.28 0.00 0.00 59.70 59.36 3du3 h MET 122 Cb 0.54 -0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 31.26 3du3 h MET 122 CO 0.03 0.90 -0.07 0.35 0.23 0.00 0.00 176.91 178.35 3du3 h PHE 123 N 0.50 -0.15 -0.39 1.39 3.57 0.51 -1.18 116.94 121.19 3du3 h PHE 123 Ca 0.08 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.48 3du3 h PHE 123 Cb 0.67 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.50 3du3 h PHE 123 CO 0.06 -0.12 -0.26 0.28 -2.23 0.00 0.00 178.31 176.04 3du3 h VAL 124 N 0.00 1.27 0.03 1.41 2.07 -1.37 -2.43 116.25 117.25 3du3 h VAL 124 Ca 0.14 -1.40 -0.00 0.00 0.82 0.00 0.00 66.70 66.26 3du3 h VAL 124 Cb 0.21 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 3du3 h VAL 124 CO -0.30 0.47 -0.02 0.00 0.02 0.00 0.00 177.57 177.74 3du3 h ALA 125 N 1.00 -0.05 -0.31 1.67 0.00 -0.65 -2.08 119.26 118.85 3du3 h ALA 125 Ca 0.09 -0.02 -0.18 0.00 0.00 0.00 0.00 54.91 54.80 3du3 h ALA 125 Cb 0.79 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 3du3 h ALA 125 CO 0.07 -0.51 -0.50 0.28 0.00 0.00 0.00 179.25 178.58 3du3 h VAL 126 N -0.07 1.28 -0.22 0.00 2.07 -1.24 -2.01 116.25 116.06 3du3 h VAL 126 Ca -0.00 -1.69 -0.17 0.00 0.82 0.00 0.00 66.70 65.66 3du3 h VAL 126 Cb 0.06 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 3du3 h VAL 126 CO 0.01 0.55 -0.51 -0.50 0.02 0.00 0.00 177.57 177.14 3du3 h TRP 127 N 0.67 0.94 -0.70 1.57 4.06 -1.42 -0.96 115.95 120.12 3du3 h TRP 127 Ca 0.03 -0.36 -0.04 0.00 2.06 0.00 0.00 58.89 60.58 3du3 h TRP 127 Cb 1.10 -0.17 -0.03 0.00 -1.00 0.00 0.00 29.16 29.06 3du3 h TRP 127 CO 0.07 1.15 0.27 0.66 -3.56 0.00 0.00 178.44 177.03 3du3 h SER 128 N 0.46 0.97 0.32 -3.49 4.64 -1.42 -0.65 113.55 114.38 3du3 h SER 128 Ca -0.00 -0.18 -0.06 0.00 -0.47 0.00 0.00 61.79 61.08 3du3 h SER 128 Cb 1.13 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.96 3du3 h SER 128 CO 0.11 0.88 -0.28 -0.25 -0.87 0.00 0.00 176.83 176.43 3du3 h TRP 129 N 1.00 0.00 0.05 4.77 2.91 -1.28 -0.49 115.95 122.92 3du3 h TRP 129 Ca 0.23 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.25 3du3 h TRP 129 Cb 0.22 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 28.87 3du3 h TRP 129 CO 0.02 0.28 -0.03 2.35 -1.03 0.00 0.00 178.44 180.03 3du3 h TRP 130 N 0.00 -0.07 -0.70 2.65 7.01 -0.09 -2.20 115.95 122.55 3du3 h TRP 130 Ca -0.00 -0.00 0.14 0.00 2.11 0.00 0.00 58.89 61.13 3du3 h TRP 130 Cb 0.51 0.02 -0.04 0.00 -2.10 0.00 0.00 29.16 27.55 3du3 h TRP 130 CO 0.00 0.26 0.47 0.78 -2.79 0.00 0.00 178.44 177.16 3du3 h GLY 131 N -0.40 0.60 0.88 2.65 0.00 -0.66 -0.62 103.07 105.52 3du3 h GLY 131 Ca -0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 3du3 h GLY 131 CO 0.01 0.06 0.06 -0.09 0.00 0.00 0.00 176.54 176.59 3du3 h ARG 132 N 0.37 0.24 0.00 4.80 2.43 -0.80 -1.54 114.38 119.88 3du3 h ARG 132 Ca 0.34 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.44 3du3 h ARG 132 Cb 0.79 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.30 3du3 h ARG 132 CO -0.10 0.32 -0.10 1.79 -1.51 0.00 0.00 179.97 180.38 3du3 h THR 133 N 0.10 0.87 0.09 0.20 1.35 -0.50 -1.03 112.91 114.00 3du3 h THR 133 Ca 0.05 -0.35 -0.16 0.00 -0.55 0.00 0.00 66.41 65.40 3du3 h THR 133 Cb 0.17 1.20 0.02 0.00 -1.73 0.00 0.00 68.15 67.81 3du3 h THR 133 CO -0.00 0.09 -0.68 0.22 -0.25 0.00 0.00 175.52 174.90 3du3 h TYR 134 N 0.00 0.51 -0.25 4.73 5.03 -1.15 -3.30 116.97 122.55 3du3 h TYR 134 Ca -0.00 -0.34 -0.11 0.00 2.58 0.00 0.00 58.73 60.86 3du3 h TYR 134 Cb 0.19 -0.03 -0.00 0.00 1.55 0.00 0.00 36.73 38.44 3du3 h TYR 134 CO 0.00 1.23 -0.27 -0.07 -1.32 0.00 0.00 178.16 177.74 3du3 h LEU 135 N -0.35 0.67 -1.98 2.82 3.38 -1.19 -1.97 115.31 116.68 3du3 h LEU 135 Ca -0.11 -0.48 0.02 0.00 0.09 0.00 0.00 57.88 57.40 3du3 h LEU 135 Cb 1.49 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 42.05 3du3 h LEU 135 CO 0.13 1.01 0.07 0.03 0.09 0.00 0.00 178.44 179.77 3du3 h ARG 136 N 0.33 0.02 0.03 1.13 -0.00 -1.35 -0.16 114.38 114.38 3du3 h ARG 136 Ca 0.04 -0.00 -0.25 0.00 -0.50 0.00 0.00 59.98 59.27 3du3 h ARG 136 Cb 0.83 -0.00 -0.03 0.00 0.00 0.00 0.00 29.97 30.77 3du3 h ARG 136 CO 0.07 0.01 -1.24 0.00 0.00 0.00 0.00 179.97 178.81 3du3 h ALA 137 N 1.95 0.40 -0.18 0.04 0.00 -1.60 -3.32 119.26 116.55 3du3 h ALA 137 Ca 0.04 -1.05 -0.16 0.00 0.00 0.00 0.00 54.91 53.75 3du3 h ALA 137 Cb 0.15 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3du3 h ALA 137 CO -0.00 1.28 -0.51 0.37 0.00 0.00 0.00 179.25 180.39 3du3 h GLN 138 N 0.02 0.67 0.00 0.00 4.15 -0.43 0.72 115.11 120.23 3du3 h GLN 138 Ca -0.11 -0.47 0.00 0.00 0.77 0.00 0.00 58.65 58.84 3du3 h GLN 138 Cb 1.87 0.08 0.00 0.00 0.21 0.00 0.00 27.48 29.64 3du3 h GLN 138 CO 0.13 1.09 0.00 0.00 -1.93 0.00 0.00 178.83 178.12 3du3 h ALA 139 N 0.57 1.00 -0.01 3.38 0.00 -1.18 -0.78 119.26 122.25 3du3 h ALA 139 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3du3 h ALA 139 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3du3 h ALA 139 CO 0.11 0.00 -0.12 1.28 0.00 0.00 0.00 179.25 180.52 3du3 n LEU 140 N -2.39 1.48 -0.42 0.00 4.77 -1.18 -0.37 117.00 118.90 3du3 n LEU 140 Ca -0.00 -0.86 -0.05 0.00 -0.03 0.00 0.00 56.01 55.06 3du3 n LEU 140 Cb 0.11 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.19 3du3 n LEU 140 CO 0.15 0.29 -0.05 0.61 -1.33 0.00 0.00 177.39 177.06 3du3 n GLY 141 N 0.76 0.63 3.92 -0.72 0.00 -0.30 -4.94 105.19 104.54 3du3 n GLY 141 Ca 0.05 -0.81 -0.27 0.00 0.00 0.00 0.00 46.02 45.00 3du3 n GLY 141 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3du3 s MET 142 N -2.82 3.40 1.05 1.61 -1.94 0.21 -5.01 119.30 115.80 3du3 s MET 142 Ca 0.00 0.06 -0.12 0.00 -1.71 0.00 0.00 55.69 53.92 3du3 s MET 142 Cb 0.00 -2.40 0.21 0.00 2.01 0.00 0.00 34.83 34.64 3du3 s MET 142 CO 0.00 -0.25 0.98 0.41 -0.01 0.00 0.00 175.02 176.15 3du3 n GLY 143 N -2.25 -1.34 1.25 -0.03 0.00 -1.26 -4.50 105.19 97.05 3du3 n GLY 143 Ca 0.01 -0.93 -0.05 0.00 0.00 0.00 0.00 46.02 45.05 3du3 n GLY 143 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3du3 n LYS 144 N -4.31 2.06 -0.16 1.61 4.01 -1.26 -4.73 118.16 115.38 3du3 n LYS 144 Ca 0.07 -3.12 0.01 0.00 -0.51 0.00 0.00 58.31 54.76 3du3 n LYS 144 Cb 0.54 -1.87 0.29 0.00 -0.51 0.00 0.00 35.03 33.48 3du3 n LYS 144 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 3du3 h HIS 145 N 1.14 0.83 -0.51 2.13 3.86 -1.97 -1.61 115.15 119.03 3du3 h HIS 145 Ca 0.24 0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.37 3du3 h HIS 145 Cb 1.77 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 29.94 3du3 h HIS 145 CO 1.02 0.54 -0.06 1.15 0.86 0.00 0.00 177.93 181.44 3du3 h THR 146 N 0.89 1.26 -0.19 2.45 2.02 -1.93 0.17 112.91 117.57 3du3 h THR 146 Ca 0.24 -1.16 -0.16 0.00 0.77 0.00 0.00 66.41 66.10 3du3 h THR 146 Cb -0.08 0.93 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 3du3 h THR 146 CO -0.05 0.41 -0.51 0.00 0.37 0.00 0.00 175.52 175.74 3du3 h ALA 147 N 1.10 0.32 -0.09 6.16 0.00 -1.58 -2.36 119.26 122.82 3du3 h ALA 147 Ca 0.14 -0.50 -0.14 0.00 0.00 0.00 0.00 54.91 54.41 3du3 h ALA 147 Cb 0.57 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3du3 h ALA 147 CO 0.03 0.51 -0.57 -1.49 0.00 0.00 0.00 179.25 177.73 3du3 h TRP 148 N 0.39 0.35 -0.36 0.00 -0.00 -1.24 -2.23 115.95 112.86 3du3 h TRP 148 Ca -0.01 -0.13 -0.13 0.00 -0.00 0.00 0.00 58.89 58.62 3du3 h TRP 148 Cb 1.13 -0.06 -0.01 0.00 -0.00 0.00 0.00 29.16 30.21 3du3 h TRP 148 CO 0.09 0.78 -0.30 0.00 -0.00 0.00 0.00 178.44 179.01 3du3 h ALA 149 N 1.19 0.51 -0.29 1.49 0.00 -0.72 -3.02 119.26 118.42 3du3 h ALA 149 Ca -0.00 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.45 3du3 h ALA 149 Cb 1.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3du3 h ALA 149 CO 0.09 0.55 -0.04 0.35 0.00 0.00 0.00 179.25 180.19 3du3 h PHE 150 N 0.62 0.47 -0.34 0.00 3.57 -1.35 -2.38 116.94 117.53 3du3 h PHE 150 Ca 0.06 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 3du3 h PHE 150 Cb 0.87 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.46 3du3 h PHE 150 CO 0.07 0.50 0.15 1.25 -2.23 0.00 0.00 178.31 178.04 3du3 h LEU 151 N 0.43 0.42 0.11 0.59 5.85 -1.27 -0.96 115.31 120.48 3du3 h LEU 151 Ca 0.09 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3du3 h LEU 151 Cb 0.35 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3du3 h LEU 151 CO 0.01 0.37 -0.09 -1.28 -0.34 0.00 0.00 178.44 177.11 3du3 h SER 152 N 0.47 -0.24 -0.36 1.25 0.87 -1.39 0.11 113.55 114.26 3du3 h SER 152 Ca 0.12 0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.74 3du3 h SER 152 Cb 0.08 0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.09 3du3 h SER 152 CO -0.01 -0.15 0.15 0.00 -0.53 0.00 0.00 176.83 176.29 3du3 h ALA 153 N 0.66 0.43 -0.11 6.23 0.00 -1.40 -1.49 119.26 123.57 3du3 h ALA 153 Ca -0.00 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3du3 h ALA 153 Cb 0.20 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3du3 h ALA 153 CO -0.01 -0.23 0.00 0.82 0.00 0.00 0.00 179.25 179.82 3du3 h ILE 154 N 0.32 1.08 0.20 0.00 2.04 -0.88 -2.73 117.51 117.53 3du3 h ILE 154 Ca 0.16 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.74 3du3 h ILE 154 Cb 0.11 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 3du3 h ILE 154 CO -0.14 0.10 -0.39 -0.25 0.00 0.00 0.00 178.15 177.46 3du3 h TRP 155 N 0.16 -1.09 -0.65 1.37 -0.00 0.32 0.16 115.95 116.22 3du3 h TRP 155 Ca 0.04 0.02 -0.00 0.00 -0.00 0.00 0.00 58.89 58.95 3du3 h TRP 155 Cb 0.11 0.45 -0.03 0.00 -0.00 0.00 0.00 29.16 29.69 3du3 h TRP 155 CO 0.00 -0.51 0.40 1.25 -0.00 0.00 0.00 178.44 179.58 3du3 h LEU 156 N -0.68 0.77 -1.01 0.65 5.85 -1.39 -0.66 115.31 118.84 3du3 h LEU 156 Ca 0.01 -0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.59 3du3 h LEU 156 Cb 0.67 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 3du3 h LEU 156 CO -0.18 0.60 -0.21 -0.25 -0.34 0.00 0.00 178.44 178.05 3du3 h TRP 157 N 0.88 0.51 -0.17 1.25 7.01 -1.29 -1.28 115.95 122.86 3du3 h TRP 157 Ca 0.23 -0.10 -0.08 0.00 2.11 0.00 0.00 58.89 61.05 3du3 h TRP 157 Cb -0.04 -0.13 -0.00 0.00 -2.10 0.00 0.00 29.16 26.89 3du3 h TRP 157 CO -0.02 0.65 -0.22 0.52 -2.79 0.00 0.00 178.44 176.58 3du3 h MET 158 N 0.42 0.45 -0.70 2.65 2.86 -0.27 -2.79 114.93 117.54 3du3 h MET 158 Ca 0.07 -0.26 -0.07 0.00 -2.06 0.00 0.00 59.70 57.38 3du3 h MET 158 Cb 0.61 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.25 3du3 h MET 158 CO 0.04 0.84 0.17 0.28 1.06 0.00 0.00 176.91 179.30 3du3 h VAL 159 N 0.10 1.26 -0.13 -2.22 2.07 -0.97 -0.17 116.25 116.19 3du3 h VAL 159 Ca 0.02 -0.96 -0.01 0.00 0.82 0.00 0.00 66.70 66.57 3du3 h VAL 159 Cb 0.78 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3du3 h VAL 159 CO 0.05 0.37 0.02 -0.07 0.02 0.00 0.00 177.57 177.96 3du3 h LEU 160 N 1.06 0.20 -2.13 2.57 3.38 -1.21 -1.60 115.31 117.58 3du3 h LEU 160 Ca 0.22 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3du3 h LEU 160 Cb 0.36 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3du3 h LEU 160 CO 0.00 0.40 0.00 0.61 0.09 0.00 0.00 178.44 179.54 3du3 n GLY 161 N -0.44 1.06 1.72 0.83 0.00 -1.06 -4.28 105.19 103.02 3du3 n GLY 161 Ca -0.05 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3du3 n GLY 161 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3du3 n PHE 162 N -0.13 -1.85 -0.07 1.61 7.35 -0.45 -4.82 117.46 119.11 3du3 n PHE 162 Ca 0.02 0.33 -0.14 0.00 -0.76 0.00 0.00 57.45 56.90 3du3 n PHE 162 Cb 0.18 0.42 -0.06 0.00 0.35 0.00 0.00 39.48 40.37 3du3 n PHE 162 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 3du3 h ILE 163 N 0.00 1.32 -0.01 -2.13 2.04 -1.20 -2.33 117.51 115.20 3du3 h ILE 163 Ca 0.00 -1.50 -0.01 0.00 1.00 0.00 0.00 64.86 64.35 3du3 h ILE 163 Cb 0.00 1.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 3du3 h ILE 163 CO 0.00 0.47 -0.02 -0.09 0.00 0.00 0.00 178.15 178.51 3du3 h ARG 164 N 0.30 0.03 -0.89 2.37 2.43 -1.51 -1.64 114.38 115.47 3du3 h ARG 164 Ca 0.03 -0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.26 3du3 h ARG 164 Cb 0.88 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.38 3du3 h ARG 164 CO 0.07 0.63 0.58 -1.35 -1.51 0.00 0.00 179.97 178.39 3du3 h PRO 165 N -0.57 0.92 -0.40 0.20 0.11 -1.77 -1.07 132.00 129.41 3du3 h PRO 165 Ca -0.00 -0.06 -0.14 0.00 0.11 0.00 0.00 66.00 65.91 3du3 h PRO 165 Cb 0.63 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 3du3 h PRO 165 CO 0.00 0.61 -0.30 0.82 -0.21 0.00 0.00 178.00 178.93 3du3 h ILE 166 N 0.95 1.28 0.00 4.15 2.04 -1.39 -1.08 117.51 123.45 3du3 h ILE 166 Ca 0.40 -1.46 0.00 0.00 1.00 0.00 0.00 64.86 64.79 3du3 h ILE 166 Cb 0.30 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 37.70 3du3 h ILE 166 CO -0.16 0.49 0.00 -0.07 0.00 0.00 0.00 178.15 178.41 3du3 h LEU 167 N 0.73 0.00 0.00 1.44 3.38 -0.77 -3.00 115.31 117.09 3du3 h LEU 167 Ca 0.08 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 3du3 h LEU 167 Cb 0.88 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 3du3 h LEU 167 CO 0.08 0.00 -1.04 0.24 0.09 0.00 0.00 178.44 177.81 3du3 h MET 168 N 0.00 0.00 0.00 1.13 2.86 -1.16 -3.49 114.93 114.27 3du3 h MET 168 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3du3 h MET 168 Cb 0.69 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.35 3du3 h MET 168 CO 0.00 0.12 0.00 0.41 1.06 0.00 0.00 176.91 178.50 3du3 n GLY 169 N 1.25 0.93 3.53 8.32 0.00 -0.96 -5.10 105.19 113.16 3du3 n GLY 169 Ca -0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.85 3du3 n GLY 169 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3du3 s SER 170 N -2.14 -0.55 0.00 1.61 1.04 -0.45 -3.15 113.70 110.06 3du3 s SER 170 Ca 0.00 0.55 0.20 0.00 0.48 0.00 0.00 55.95 57.18 3du3 s SER 170 Cb 0.00 0.46 0.92 0.00 0.10 0.00 0.00 66.02 67.50 3du3 s SER 170 CO 0.00 -0.54 1.63 0.79 0.98 0.00 0.00 173.24 176.11 3du3 n TRP 171 N 0.74 0.00 0.26 5.02 5.03 -0.77 -3.01 117.44 124.70 3du3 n TRP 171 Ca -0.16 0.00 0.14 0.00 3.03 0.00 0.00 57.50 60.51 3du3 n TRP 171 Cb 0.58 -0.41 0.36 0.00 -1.03 0.00 0.00 31.31 30.82 3du3 n TRP 171 CO 0.00 0.00 0.00 0.66 -0.03 0.00 0.00 177.69 178.32 3du3 h SER 172 N 0.00 0.00 0.52 -0.99 4.64 -1.81 -2.85 113.55 113.06 3du3 h SER 172 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3du3 h SER 172 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3du3 h SER 172 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 3du3 n GLU 173 N -3.06 0.41 -2.01 4.77 -0.58 -1.16 -4.85 120.64 114.16 3du3 n GLU 173 Ca 0.03 0.02 -0.29 0.00 -0.42 0.00 0.00 57.16 56.50 3du3 n GLU 173 Cb 0.44 -1.50 0.14 0.00 -0.57 0.00 0.00 31.44 29.95 3du3 n GLU 173 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3du3 s ALA 174 N -2.56 2.57 -0.13 0.62 0.00 -1.08 -4.75 121.76 116.43 3du3 s ALA 174 Ca 0.27 -1.08 -0.16 0.00 0.00 0.00 0.00 51.96 50.99 3du3 s ALA 174 Cb 0.19 -2.73 -0.04 0.00 0.00 0.00 0.00 23.12 20.53 3du3 s ALA 174 CO 0.43 -2.04 0.40 0.08 0.00 0.00 0.00 175.76 174.63 3du3 s VAL 175 N -3.68 5.23 0.56 0.00 1.01 -1.26 -4.87 120.40 117.40 3du3 s VAL 175 Ca 0.69 0.78 -0.18 0.00 0.00 0.00 0.00 61.98 63.27 3du3 s VAL 175 Cb -0.07 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 3du3 s VAL 175 CO 0.50 0.36 1.08 -2.16 0.00 0.00 0.00 175.10 174.88 3du3 s PRO 176 N 0.51 3.39 -0.63 2.72 0.04 -1.26 -4.83 135.00 134.93 3du3 s PRO 176 Ca 0.22 1.37 -0.21 0.00 0.04 0.00 0.00 61.00 62.42 3du3 s PRO 176 Cb -0.14 -2.03 0.08 0.00 0.04 0.00 0.00 34.50 32.44 3du3 s PRO 176 CO 0.08 -0.77 0.87 0.71 0.04 0.00 0.00 177.00 177.93 3du3 s TYR 177 N -2.14 2.79 -0.17 0.56 2.02 0.04 -4.41 117.35 116.03 3du3 s TYR 177 Ca 0.67 -0.66 -0.33 0.00 -0.37 0.00 0.00 57.07 56.38 3du3 s TYR 177 Cb -0.19 -4.18 0.14 0.00 -0.40 0.00 0.00 41.96 37.33 3du3 s TYR 177 CO 0.30 -1.51 1.15 0.20 -1.57 0.00 0.00 175.55 174.12 3du3 s GLY 178 N 3.61 -0.27 -0.04 0.71 0.00 -1.26 -1.84 107.32 108.23 3du3 s GLY 178 Ca 0.19 1.74 -0.06 0.00 0.00 0.00 0.00 44.72 46.58 3du3 s GLY 178 CO 0.09 0.65 0.36 -2.22 0.00 0.00 0.00 173.10 171.98 3du3 h ILE 179 N 2.09 0.00 -0.01 0.90 1.08 -1.72 -3.04 117.51 116.81 3du3 h ILE 179 Ca -0.12 -0.45 -0.15 0.00 -0.39 0.00 0.00 64.86 63.75 3du3 h ILE 179 Cb 1.18 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.91 3du3 h ILE 179 CO 0.25 0.00 -0.69 -0.26 -0.69 0.00 0.00 178.15 176.76 3du3 h PHE 180 N -0.67 0.06 -0.32 1.37 0.04 -1.62 -3.29 116.94 112.50 3du3 h PHE 180 Ca -0.02 -0.03 -0.13 0.00 2.80 0.00 0.00 57.97 60.59 3du3 h PHE 180 Cb 0.17 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 3du3 h PHE 180 CO 0.02 0.72 -0.32 0.66 -0.60 0.00 0.00 178.31 178.79 3du3 h SER 181 N 0.03 0.72 1.49 2.17 4.64 -1.75 -2.10 113.55 118.75 3du3 h SER 181 Ca -0.01 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 3du3 h SER 181 Cb 1.22 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 3du3 h SER 181 CO 0.09 0.99 0.00 1.12 -0.87 0.00 0.00 176.83 178.16 3du3 h HIS 182 N 0.59 0.00 0.14 4.77 2.07 -1.60 -1.66 115.15 119.46 3du3 h HIS 182 Ca 0.06 0.00 -0.27 0.00 -2.85 0.00 0.00 60.37 57.31 3du3 h HIS 182 Cb 0.84 0.00 0.03 0.00 2.57 0.00 0.00 27.41 30.85 3du3 h HIS 182 CO 0.04 0.00 -1.14 -0.07 -3.07 0.00 0.00 177.93 173.69 3du3 h LEU 183 N 0.00 0.76 0.09 6.12 3.38 -1.58 -2.63 115.31 121.44 3du3 h LEU 183 Ca 0.00 -0.86 -0.00 0.00 0.09 0.00 0.00 57.88 57.10 3du3 h LEU 183 Cb 0.75 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.25 3du3 h LEU 183 CO 0.00 1.55 -0.04 0.44 0.09 0.00 0.00 178.44 180.48 3du3 h ASP 184 N 0.08 -0.10 -0.98 -0.43 3.32 -1.28 -1.02 116.42 116.00 3du3 h ASP 184 Ca -0.18 -0.04 0.16 0.00 0.02 0.00 0.00 57.03 56.99 3du3 h ASP 184 Cb 1.86 0.03 -0.10 0.00 0.22 0.00 0.00 39.33 41.33 3du3 h ASP 184 CO 0.22 -0.03 0.60 -0.25 -1.72 0.00 0.00 179.24 178.05 3du3 h TRP 185 N -0.16 1.06 0.07 4.55 7.01 -1.35 0.14 115.95 127.26 3du3 h TRP 185 Ca -0.01 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.02 3du3 h TRP 185 Cb 0.13 -0.32 0.00 0.00 -2.10 0.00 0.00 29.16 26.87 3du3 h TRP 185 CO -0.06 0.31 -0.03 1.15 -2.79 0.00 0.00 178.44 177.02 3du3 h THR 186 N 0.83 1.14 -0.60 2.65 2.02 -1.06 0.18 112.91 118.08 3du3 h THR 186 Ca 0.54 -0.75 0.03 0.00 0.77 0.00 0.00 66.41 67.00 3du3 h THR 186 Cb 0.72 1.63 -0.04 0.00 -1.74 0.00 0.00 68.15 68.72 3du3 h THR 186 CO -0.34 0.18 0.36 -1.13 0.37 0.00 0.00 175.52 174.97 3du3 h ASN 187 N -0.43 0.57 -0.53 4.18 -1.24 -0.52 -2.47 115.58 115.15 3du3 h ASN 187 Ca -0.01 0.01 -0.11 0.00 0.71 0.00 0.00 56.30 56.90 3du3 h ASN 187 Cb 0.37 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 39.29 3du3 h ASN 187 CO 0.02 0.40 -0.09 -1.13 -1.29 0.00 0.00 177.43 175.33 3du3 h ASN 188 N 0.70 0.99 -0.81 1.15 -0.00 -0.70 -2.54 115.58 114.38 3du3 h ASN 188 Ca 0.25 -0.35 0.11 0.00 -0.00 0.00 0.00 56.30 56.30 3du3 h ASN 188 Cb 0.05 -0.27 -0.06 0.00 -0.00 0.00 0.00 38.32 38.04 3du3 h ASN 188 CO -0.12 1.11 0.53 0.15 -0.00 0.00 0.00 177.43 179.10 3du3 h PHE 189 N 0.86 0.78 -0.12 0.67 3.04 -0.16 -1.67 116.94 120.33 3du3 h PHE 189 Ca 0.14 0.02 -0.22 0.00 3.98 0.00 0.00 57.97 61.89 3du3 h PHE 189 Cb 0.65 -0.25 0.01 0.00 2.56 0.00 0.00 35.95 38.92 3du3 h PHE 189 CO 0.05 0.35 -0.79 1.03 -2.02 0.00 0.00 178.31 176.92 3du3 h SER 190 N 0.72 0.91 -0.61 0.41 0.87 -1.26 -2.97 113.55 111.62 3du3 h SER 190 Ca 0.38 -0.65 -0.01 0.00 -1.23 0.00 0.00 61.79 60.28 3du3 h SER 190 Cb 0.50 -0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 62.16 3du3 h SER 190 CO -0.15 1.42 0.34 -0.07 -0.53 0.00 0.00 176.83 177.84 3du3 h LEU 191 N 0.47 0.78 -0.05 2.23 3.38 -0.95 0.32 115.31 121.49 3du3 h LEU 191 Ca -0.06 -0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.70 3du3 h LEU 191 Cb 1.43 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 3du3 h LEU 191 CO 0.16 0.63 -0.68 0.58 0.09 0.00 0.00 178.44 179.23 3du3 h VAL 192 N 0.88 1.18 -0.61 1.22 2.07 -1.38 -3.30 116.25 116.31 3du3 h VAL 192 Ca 0.23 -2.62 0.00 0.00 0.82 0.00 0.00 66.70 65.12 3du3 h VAL 192 Cb 0.03 2.55 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 3du3 h VAL 192 CO -0.04 0.66 0.00 1.41 0.02 0.00 0.00 177.57 179.63 3du3 n HIS 193 N -3.29 1.22 -1.38 1.57 8.25 -1.02 -4.79 115.22 115.77 3du3 n HIS 193 Ca 0.01 -0.59 0.00 0.00 -0.26 0.00 0.00 57.72 56.88 3du3 n HIS 193 Cb 0.80 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.74 3du3 n HIS 193 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3du3 n GLY 194 N 1.09 0.68 0.95 -1.41 0.00 -1.08 0.45 105.19 105.88 3du3 n GLY 194 Ca 0.24 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.53 3du3 n GLY 194 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3du3 n ASN 195 N 1.56 -1.96 0.07 1.61 5.15 0.11 -3.52 115.26 118.27 3du3 n ASN 195 Ca 0.00 0.00 0.06 0.00 -0.60 0.00 0.00 54.58 54.04 3du3 n ASN 195 Cb 0.30 -0.98 0.29 0.00 -0.53 0.00 0.00 39.78 38.87 3du3 n ASN 195 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3du3 n LEU 196 N 0.00 0.26 0.21 1.20 4.32 -1.26 -1.83 117.00 119.91 3du3 n LEU 196 Ca 0.00 0.60 0.15 0.00 -0.02 0.00 0.00 56.01 56.74 3du3 n LEU 196 Cb 0.00 -0.62 0.65 0.00 -1.62 0.00 0.00 43.42 41.84 3du3 n LEU 196 CO 0.00 -0.61 0.94 -0.26 -1.22 0.00 0.00 177.39 176.24 3du3 h PHE 197 N 0.00 0.00 -0.01 -1.77 0.04 -1.95 -1.50 116.94 111.75 3du3 h PHE 197 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3du3 h PHE 197 Cb 0.08 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.23 3du3 h PHE 197 CO 0.00 0.00 -0.26 0.66 -0.60 0.00 0.00 178.31 178.11 3du3 n TYR 198 N -2.67 0.00 -2.79 -0.55 4.01 -0.76 -4.84 117.16 109.57 3du3 n TYR 198 Ca 0.01 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.32 3du3 n TYR 198 Cb 0.23 -0.05 -0.03 0.00 -0.31 0.00 0.00 39.34 39.18 3du3 n TYR 198 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 3du3 s ASN 199 N -2.36 6.80 0.50 7.72 3.84 -0.57 -4.78 114.94 126.09 3du3 s ASN 199 Ca 0.25 0.85 0.34 0.00 0.21 0.00 0.00 52.86 54.50 3du3 s ASN 199 Cb 0.19 -2.48 1.64 0.00 -0.55 0.00 0.00 41.25 40.06 3du3 s ASN 199 CO 0.48 -0.76 2.01 1.55 -2.79 0.00 0.00 177.10 177.60 3du3 h PRO 200 N 8.12 0.00 0.14 0.43 0.13 -1.88 -2.57 132.00 136.36 3du3 h PRO 200 Ca -0.22 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.68 3du3 h PRO 200 Cb 1.08 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.23 3du3 h PRO 200 CO 0.96 0.00 -0.99 0.74 -0.23 0.00 0.00 178.00 178.48 3du3 h PHE 201 N 0.00 0.73 -0.93 1.56 0.04 -1.92 -2.01 116.94 114.41 3du3 h PHE 201 Ca 0.00 -0.50 0.09 0.00 2.80 0.00 0.00 57.97 60.36 3du3 h PHE 201 Cb 0.21 -0.05 -0.07 0.00 2.20 0.00 0.00 35.95 38.24 3du3 h PHE 201 CO 0.00 1.36 0.58 1.25 -0.60 0.00 0.00 178.31 180.90 3du3 h HIS 202 N -0.10 1.05 -0.17 -0.55 2.76 -1.74 0.52 115.15 116.93 3du3 h HIS 202 Ca -0.16 0.03 -0.16 0.00 -2.20 0.00 0.00 60.37 57.88 3du3 h HIS 202 Cb 1.74 -0.33 -0.01 0.00 1.55 0.00 0.00 27.41 30.36 3du3 h HIS 202 CO 0.16 0.47 -0.56 0.78 -1.30 0.00 0.00 177.93 177.48 3du3 h GLY 203 N 0.98 0.58 0.81 5.26 0.00 -1.46 -1.72 103.07 107.51 3du3 h GLY 203 Ca 0.44 -0.68 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 3du3 h GLY 203 CO -0.23 0.61 0.01 -2.00 0.00 0.00 0.00 176.54 174.93 3du3 h LEU 204 N 0.40 0.31 -1.08 3.11 5.85 -0.47 -2.69 115.31 120.74 3du3 h LEU 204 Ca 0.01 -0.30 0.08 0.00 0.84 0.00 0.00 57.88 58.50 3du3 h LEU 204 Cb 1.10 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.98 3du3 h LEU 204 CO 0.10 0.53 0.62 -1.28 -0.34 0.00 0.00 178.44 178.08 3du3 h SER 205 N 0.08 0.95 -0.35 1.25 0.87 0.14 -0.85 113.55 115.64 3du3 h SER 205 Ca 0.05 0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.50 3du3 h SER 205 Cb 0.37 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 3du3 h SER 205 CO 0.01 0.59 -0.27 0.40 -0.53 0.00 0.00 176.83 177.03 3du3 h ILE 206 N 1.07 1.27 -0.69 2.23 2.04 -1.23 -1.82 117.51 120.38 3du3 h ILE 206 Ca 0.42 -1.42 0.04 0.00 1.00 0.00 0.00 64.86 64.90 3du3 h ILE 206 Cb 0.25 1.25 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 3du3 h ILE 206 CO -0.18 0.48 0.42 0.00 0.00 0.00 0.00 178.15 178.87 3du3 h ALA 207 N 0.95 0.91 0.00 1.87 0.00 -0.84 0.12 119.26 122.27 3du3 h ALA 207 Ca 0.09 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3du3 h ALA 207 Cb 0.82 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3du3 h ALA 207 CO 0.07 0.16 -0.57 0.74 0.00 0.00 0.00 179.25 179.65 3du3 h PHE 208 N 0.80 0.00 0.10 0.00 0.04 -1.26 0.52 116.94 117.15 3du3 h PHE 208 Ca 0.29 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.05 3du3 h PHE 208 Cb 0.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.22 3du3 h PHE 208 CO -0.05 0.57 -0.05 1.25 -0.60 0.00 0.00 178.31 179.43 3du3 h LEU 209 N 0.00 -0.12 -1.22 1.54 5.85 -0.76 0.50 115.31 121.11 3du3 h LEU 209 Ca -0.01 -0.45 0.06 0.00 0.84 0.00 0.00 57.88 58.33 3du3 h LEU 209 Cb 1.16 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.16 3du3 h LEU 209 CO 0.07 0.45 0.55 1.88 -0.34 0.00 0.00 178.44 181.06 3du3 h TYR 210 N -0.75 0.96 -0.40 1.25 0.05 -0.79 -2.11 116.97 115.18 3du3 h TYR 210 Ca -0.01 0.02 -0.11 0.00 0.05 0.00 0.00 58.73 58.68 3du3 h TYR 210 Cb 0.56 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 37.97 3du3 h TYR 210 CO 0.10 0.51 -0.17 0.78 -1.05 0.00 0.00 178.16 178.33 3du3 h GLY 211 N 0.95 0.89 0.67 3.88 0.00 -0.85 -0.22 103.07 108.40 3du3 h GLY 211 Ca 0.36 -0.79 0.07 0.00 0.00 0.00 0.00 47.33 46.97 3du3 h GLY 211 CO -0.13 0.72 0.51 1.76 0.00 0.00 0.00 176.54 179.40 3du3 h SER 212 N 0.64 0.79 -0.44 0.19 0.02 -0.24 1.68 113.55 116.19 3du3 h SER 212 Ca 0.09 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.01 3du3 h SER 212 Cb 0.72 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.10 3du3 h SER 212 CO 0.05 0.49 0.07 0.00 -1.14 0.00 0.00 176.83 176.31 3du3 h ALA 213 N 1.41 0.59 0.10 3.77 0.00 -1.23 -0.18 119.26 123.72 3du3 h ALA 213 Ca 0.38 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3du3 h ALA 213 Cb 0.22 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3du3 h ALA 213 CO -0.19 0.31 -0.05 1.25 0.00 0.00 0.00 179.25 180.57 3du3 h LEU 214 N 0.59 -0.11 -0.07 0.00 5.85 0.12 -1.79 115.31 119.90 3du3 h LEU 214 Ca 0.13 -0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.77 3du3 h LEU 214 Cb 0.38 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.44 3du3 h LEU 214 CO 0.01 -0.04 -0.14 0.25 -0.34 0.00 0.00 178.44 178.18 3du3 h LEU 215 N -0.18 0.24 -1.38 2.25 5.85 0.24 -1.46 115.31 120.87 3du3 h LEU 215 Ca -0.01 -0.56 -0.05 0.00 0.84 0.00 0.00 57.88 58.10 3du3 h LEU 215 Cb 0.14 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 3du3 h LEU 215 CO 0.02 0.76 -0.12 0.15 -0.34 0.00 0.00 178.44 178.91 3du3 h PHE 216 N -0.27 0.27 -0.38 1.25 3.04 -1.07 0.73 116.94 120.51 3du3 h PHE 216 Ca 0.00 -0.03 -0.08 0.00 3.98 0.00 0.00 57.97 61.84 3du3 h PHE 216 Cb 0.71 -0.08 -0.01 0.00 2.56 0.00 0.00 35.95 39.14 3du3 h PHE 216 CO 0.11 0.38 -0.08 0.00 -2.02 0.00 0.00 178.31 176.70 3du3 h ALA 217 N 1.63 0.53 0.20 2.41 0.00 -1.33 -0.03 119.26 122.67 3du3 h ALA 217 Ca 0.05 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3du3 h ALA 217 Cb 0.37 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3du3 h ALA 217 CO 0.02 0.38 -0.10 0.52 0.00 0.00 0.00 179.25 180.08 3du3 h MET 218 N 0.54 -0.26 0.04 0.00 2.86 -0.07 -2.73 114.93 115.31 3du3 h MET 218 Ca 0.10 0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3du3 h MET 218 Cb 0.60 0.06 0.00 0.00 0.06 0.00 0.00 31.60 32.32 3du3 h MET 218 CO 0.04 -0.03 -0.02 1.25 1.06 0.00 0.00 176.91 179.20 3du3 h HIS 219 N -0.45 -0.05 -0.48 -0.22 6.17 0.42 -2.38 115.15 118.15 3du3 h HIS 219 Ca -0.03 -0.00 0.08 0.00 0.71 0.00 0.00 60.37 61.14 3du3 h HIS 219 Cb 0.34 0.02 -0.07 0.00 2.52 0.00 0.00 27.41 30.22 3du3 h HIS 219 CO -0.01 0.25 0.07 0.78 0.71 0.00 0.00 177.93 179.73 3du3 h GLY 220 N -0.36 0.56 1.27 5.26 0.00 -1.10 -1.14 103.07 107.55 3du3 h GLY 220 Ca -0.01 -0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.20 3du3 h GLY 220 CO 0.01 -0.08 -0.23 0.00 0.00 0.00 0.00 176.54 176.24 3du3 h ALA 221 N 1.39 0.82 0.04 3.60 0.00 -1.52 -2.44 119.26 121.15 3du3 h ALA 221 Ca 0.24 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3du3 h ALA 221 Cb 0.33 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3du3 h ALA 221 CO -0.34 0.65 -0.02 1.15 0.00 0.00 0.00 179.25 180.69 3du3 h THR 222 N 0.73 1.15 -0.86 0.00 2.02 -0.82 -0.65 112.91 114.47 3du3 h THR 222 Ca 0.10 -0.62 -0.00 0.00 0.77 0.00 0.00 66.41 66.65 3du3 h THR 222 Cb 0.76 1.56 -0.04 0.00 -1.74 0.00 0.00 68.15 68.69 3du3 h THR 222 CO 0.06 0.16 0.53 0.40 0.37 0.00 0.00 175.52 177.04 3du3 h ILE 223 N -0.33 1.24 -0.44 3.11 1.08 -1.26 -0.80 117.51 120.10 3du3 h ILE 223 Ca -0.01 -0.50 -0.09 0.00 -0.39 0.00 0.00 64.86 63.88 3du3 h ILE 223 Cb 0.30 0.01 -0.02 0.00 -3.07 0.00 0.00 36.82 34.04 3du3 h ILE 223 CO 0.01 0.24 -0.10 -0.07 -0.69 0.00 0.00 178.15 177.54 3du3 h LEU 224 N 1.18 0.78 -1.80 1.44 3.38 -1.39 0.09 115.31 119.00 3du3 h LEU 224 Ca 0.31 -0.23 -0.03 0.00 0.09 0.00 0.00 57.88 58.02 3du3 h LEU 224 Cb -0.07 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 3du3 h LEU 224 CO -0.06 0.91 -0.13 0.00 0.09 0.00 0.00 178.44 179.25 3du3 h ALA 225 N 1.16 1.68 -0.14 1.53 0.00 0.08 -2.84 119.26 120.72 3du3 h ALA 225 Ca 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3du3 h ALA 225 Cb 0.58 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3du3 h ALA 225 CO 0.04 0.16 0.00 1.33 0.00 0.00 0.00 179.25 180.78 3du3 n VAL 226 N -4.23 1.92 0.29 0.00 0.24 -0.42 -4.50 118.33 111.63 3du3 n VAL 226 Ca -0.02 -1.89 0.17 0.00 -2.04 0.00 0.00 64.34 60.55 3du3 n VAL 226 Cb 0.21 -0.13 0.64 0.00 -1.47 0.00 0.00 33.84 33.09 3du3 n VAL 226 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3du3 h SER 227 N 0.96 0.00 0.04 -1.34 4.64 -0.73 -1.78 113.55 115.34 3du3 h SER 227 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3du3 h SER 227 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 3du3 h SER 227 CO 0.10 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 173.95 3du3 n ARG 228 N -3.03 0.29 -0.24 4.77 1.85 -1.26 -0.99 116.66 118.05 3du3 n ARG 228 Ca 0.01 0.04 0.04 0.00 -1.00 0.00 0.00 57.85 56.94 3du3 n ARG 228 Cb 0.32 -1.50 0.05 0.00 -1.05 0.00 0.00 32.46 30.28 3du3 n ARG 228 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3du3 n PHE 229 N -1.06 0.00 -2.51 2.89 3.72 -0.74 -4.99 117.46 114.77 3du3 n PHE 229 Ca 0.07 -0.43 -0.09 0.00 -0.05 0.00 0.00 57.45 56.95 3du3 n PHE 229 Cb 0.05 -0.08 0.01 0.00 -0.94 0.00 0.00 39.48 38.51 3du3 n PHE 229 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3du3 n GLY 230 N -0.60 0.15 0.27 1.37 0.00 -0.17 -4.55 105.19 101.66 3du3 n GLY 230 Ca 0.06 -0.42 0.05 0.00 0.00 0.00 0.00 46.02 45.71 3du3 n GLY 230 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3du3 h GLY 231 N -0.49 0.25 2.00 -0.02 0.00 -1.53 -2.54 103.07 100.76 3du3 h GLY 231 Ca -0.22 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 3du3 h GLY 231 CO 0.24 0.11 -0.02 1.05 0.00 0.00 0.00 176.54 177.92 3du3 h GLU 232 N 0.24 0.00 -3.10 4.80 9.09 -1.82 -3.25 114.58 120.53 3du3 h GLU 232 Ca 0.06 0.00 -0.70 0.00 0.05 0.00 0.00 59.36 58.77 3du3 h GLU 232 Cb 0.12 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.19 3du3 h GLU 232 CO -0.00 0.02 3.27 0.54 0.05 0.00 0.00 179.01 182.89 3du3 n ARG 233 N -3.19 3.78 -0.14 1.06 1.74 -0.96 -4.76 116.66 114.19 3du3 n ARG 233 Ca -0.01 -2.66 0.04 0.00 -0.77 0.00 0.00 57.85 54.45 3du3 n ARG 233 Cb 0.19 -2.85 0.35 0.00 -1.02 0.00 0.00 32.46 29.14 3du3 n ARG 233 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3du3 h GLU 234 N 5.12 0.73 -0.34 5.56 5.08 -1.82 -2.64 114.58 126.27 3du3 h GLU 234 Ca 0.75 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.94 3du3 h GLU 234 Cb 0.37 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3du3 h GLU 234 CO 1.72 0.48 -0.30 -0.07 -1.00 0.00 0.00 179.01 179.84 3du3 h LEU 235 N 0.75 0.85 -0.68 1.33 3.38 -1.93 -0.24 115.31 118.77 3du3 h LEU 235 Ca 0.26 -0.46 -0.11 0.00 0.09 0.00 0.00 57.88 57.66 3du3 h LEU 235 Cb 0.09 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3du3 h LEU 235 CO -0.07 1.13 -0.52 -0.08 0.09 0.00 0.00 178.44 178.99 3du3 h GLU 236 N 0.58 0.00 0.00 1.13 4.57 -1.90 -1.48 114.58 117.48 3du3 h GLU 236 Ca 0.06 0.00 -0.06 0.00 -1.18 0.00 0.00 59.36 58.18 3du3 h GLU 236 Cb 0.88 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.46 3du3 h GLU 236 CO 0.08 0.52 -0.29 1.96 -1.18 0.00 0.00 179.01 180.10 3du3 h GLN 237 N 0.00 0.00 -0.12 1.92 1.08 -1.18 0.34 115.11 117.15 3du3 h GLN 237 Ca -0.01 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.01 3du3 h GLN 237 Cb 1.10 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.54 3du3 h GLN 237 CO 0.07 0.29 -0.66 0.82 -0.95 0.00 0.00 178.83 178.39 3du3 h ILE 238 N 0.00 1.32 0.00 2.54 2.04 -0.41 -2.72 117.51 120.28 3du3 h ILE 238 Ca -0.00 -1.92 0.00 0.00 1.00 0.00 0.00 64.86 63.94 3du3 h ILE 238 Cb 0.56 2.12 0.00 0.00 -0.74 0.00 0.00 36.82 38.76 3du3 h ILE 238 CO 0.04 0.59 -0.05 0.00 0.00 0.00 0.00 178.15 178.73 3du3 h ALA 239 N 0.50 0.96 -0.32 1.87 0.00 -0.71 -3.42 119.26 118.15 3du3 h ALA 239 Ca -0.05 0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.04 3du3 h ALA 239 Cb 1.30 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 18.90 3du3 h ALA 239 CO 0.14 0.00 -0.07 0.34 0.00 0.00 0.00 179.25 179.65 3du3 s ASP 240 N -4.64 -0.51 0.27 0.00 2.15 0.11 -5.07 116.67 108.98 3du3 s ASP 240 Ca 0.10 -0.01 -0.30 0.00 0.43 0.00 0.00 52.55 52.77 3du3 s ASP 240 Cb 0.12 1.16 -0.11 0.00 -0.30 0.00 0.00 42.92 43.79 3du3 s ASP 240 CO 0.61 -0.08 1.53 -0.60 -0.17 0.00 0.00 175.17 176.46 3du3 s ARG 241 N 2.71 4.18 0.46 4.34 3.52 -1.03 -3.95 118.95 129.18 3du3 s ARG 241 Ca 0.24 2.46 0.07 0.00 -0.13 0.00 0.00 55.73 58.36 3du3 s ARG 241 Cb -0.01 -3.06 -0.01 0.00 -1.56 0.00 0.00 34.95 30.30 3du3 s ARG 241 CO -0.21 -0.55 0.30 0.20 -0.81 0.00 0.00 175.30 174.24 3du3 s GLY 242 N 0.46 2.32 0.14 8.12 0.00 -1.26 -4.99 107.32 112.11 3du3 s GLY 242 Ca 0.62 -1.70 0.19 0.00 0.00 0.00 0.00 44.72 43.83 3du3 s GLY 242 CO 0.45 -1.87 1.60 -0.37 0.00 0.00 0.00 173.10 172.91 3du3 n THR 243 N -1.50 0.91 -0.07 0.90 5.66 -1.26 -1.75 114.28 117.16 3du3 n THR 243 Ca -0.01 0.24 -0.15 0.00 -3.05 0.00 0.00 64.05 61.09 3du3 n THR 243 Cb 0.64 -1.09 -0.05 0.00 -1.55 0.00 0.00 70.33 68.27 3du3 n THR 243 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3du3 h ALA 244 N 2.37 0.40 -0.08 1.79 0.00 -1.89 -2.48 119.26 119.36 3du3 h ALA 244 Ca 0.00 -0.48 -0.24 0.00 0.00 0.00 0.00 54.91 54.20 3du3 h ALA 244 Cb 0.31 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.04 3du3 h ALA 244 CO 0.00 0.54 -0.88 0.00 0.00 0.00 0.00 179.25 178.91 3du3 h ALA 245 N 0.65 0.27 -0.33 0.00 0.00 -1.72 -2.51 119.26 115.63 3du3 h ALA 245 Ca 0.02 -0.64 -0.10 0.00 0.00 0.00 0.00 54.91 54.18 3du3 h ALA 245 Cb 1.06 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3du3 h ALA 245 CO 0.10 0.70 -0.22 0.93 0.00 0.00 0.00 179.25 180.76 3du3 h GLU 246 N 0.45 0.62 -0.00 0.00 5.08 -1.52 0.12 114.58 119.33 3du3 h GLU 246 Ca -0.08 -0.24 -0.21 0.00 -1.00 0.00 0.00 59.36 57.83 3du3 h GLU 246 Cb 1.52 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.73 3du3 h GLU 246 CO 0.17 0.80 -0.90 0.00 -1.00 0.00 0.00 179.01 178.09 3du3 h ARG 247 N 0.55 0.32 0.09 2.33 3.08 -1.50 -2.04 114.38 117.21 3du3 h ARG 247 Ca 0.08 -0.34 -0.00 0.00 0.07 0.00 0.00 59.98 59.79 3du3 h ARG 247 Cb 0.68 0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.82 3du3 h ARG 247 CO 0.05 1.03 -0.04 0.00 -1.07 0.00 0.00 179.97 179.94 3du3 h ALA 248 N 0.85 -0.12 -0.78 0.04 0.00 -0.96 -1.37 119.26 116.94 3du3 h ALA 248 Ca -0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 3du3 h ALA 248 Cb 1.52 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.32 3du3 h ALA 248 CO 0.15 -0.47 0.37 1.88 0.00 0.00 0.00 179.25 181.18 3du3 h TYR 249 N -0.31 1.11 0.00 0.00 -1.99 -0.81 -2.89 116.97 112.08 3du3 h TYR 249 Ca -0.01 -0.05 -0.13 0.00 2.00 0.00 0.00 58.73 60.54 3du3 h TYR 249 Cb 0.27 -0.35 -0.02 0.00 2.00 0.00 0.00 36.73 38.63 3du3 h TYR 249 CO -0.01 0.81 -0.62 -0.07 -0.00 0.00 0.00 178.16 178.28 3du3 h LEU 250 N 1.11 0.00 -0.25 3.88 3.38 -1.37 -1.10 115.31 120.96 3du3 h LEU 250 Ca 0.27 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.18 3du3 h LEU 250 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3du3 h LEU 250 CO -0.03 0.62 -0.08 0.15 0.09 0.00 0.00 178.44 179.18 3du3 h PHE 251 N 0.00 0.57 0.00 1.13 3.04 -1.04 -1.15 116.94 119.49 3du3 h PHE 251 Ca -0.01 -0.13 -0.14 0.00 3.98 0.00 0.00 57.97 61.67 3du3 h PHE 251 Cb 1.41 -0.14 -0.02 0.00 2.56 0.00 0.00 35.95 39.77 3du3 h PHE 251 CO 0.00 0.74 -0.68 -1.49 -2.02 0.00 0.00 178.31 174.85 3du3 h TRP 252 N 0.24 0.00 -0.17 0.41 4.06 -1.54 -2.51 115.95 116.44 3du3 h TRP 252 Ca 0.06 0.00 -0.13 0.00 2.06 0.00 0.00 58.89 60.88 3du3 h TRP 252 Cb 0.57 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.73 3du3 h TRP 252 CO 0.06 0.68 -0.40 -0.09 -3.56 0.00 0.00 178.44 175.13 3du3 h ARG 253 N 0.00 0.57 0.00 0.49 2.43 -1.10 -0.98 114.38 115.79 3du3 h ARG 253 Ca -0.01 -0.39 -0.01 0.00 -0.81 0.00 0.00 59.98 58.76 3du3 h ARG 253 Cb 1.32 0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.92 3du3 h ARG 253 CO 0.09 1.00 -0.07 -1.49 -1.51 0.00 0.00 179.97 177.99 3du3 h TRP 254 N 0.22 0.00 0.00 2.20 6.55 -1.22 -0.39 115.95 123.31 3du3 h TRP 254 Ca -0.00 0.00 -0.22 0.00 0.95 0.00 0.00 58.89 59.62 3du3 h TRP 254 Cb 1.01 0.00 -0.03 0.00 -0.86 0.00 0.00 29.16 29.27 3du3 h TRP 254 CO 0.10 0.07 -1.28 2.41 -1.05 0.00 0.00 178.44 178.69 3du3 n THR 255 N -3.17 1.52 -0.11 1.49 -1.04 -0.95 -4.72 114.28 107.30 3du3 n THR 255 Ca 0.01 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 3du3 n THR 255 Cb 0.39 -2.08 0.00 0.00 -1.82 0.00 0.00 70.33 66.82 3du3 n THR 255 CO 0.00 0.00 0.00 1.15 -0.64 0.00 0.00 175.07 175.58 3du3 n MET 256 N -4.44 2.02 0.00 -2.82 0.00 -0.38 -5.03 117.12 106.47 3du3 n MET 256 Ca -0.31 -1.22 0.00 0.00 0.00 0.00 0.00 57.70 56.18 3du3 n MET 256 Cb 0.64 -0.94 0.00 0.00 0.00 0.00 0.00 33.22 32.92 3du3 n MET 256 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3du3 n GLY 257 N -0.36 3.03 3.24 3.17 0.00 -0.15 -5.00 105.19 109.11 3du3 n GLY 257 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 3du3 n GLY 257 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3du3 s PHE 258 N -2.36 1.40 0.27 1.61 -0.71 -1.26 -4.94 117.98 111.99 3du3 s PHE 258 Ca 0.00 -1.48 -0.17 0.00 -1.04 0.00 0.00 56.93 54.24 3du3 s PHE 258 Cb 0.00 -0.63 0.01 0.00 -1.21 0.00 0.00 43.02 41.19 3du3 s PHE 258 CO 0.00 -0.71 0.62 0.54 -1.34 0.00 0.00 175.22 174.33 3du3 s ASN 259 N -3.25 -0.16 0.55 1.98 4.22 -1.26 -3.35 114.94 113.67 3du3 s ASN 259 Ca 0.39 -0.77 0.05 0.00 -2.14 0.00 0.00 52.86 50.39 3du3 s ASN 259 Cb 0.05 0.68 0.05 0.00 1.28 0.00 0.00 41.25 43.31 3du3 s ASN 259 CO 0.18 -1.28 0.42 0.00 -2.04 0.00 0.00 177.10 174.38 3du3 n ALA 260 N -0.43 0.86 -3.59 3.54 0.00 -1.26 -5.08 120.51 114.54 3du3 n ALA 260 Ca -0.03 -2.22 -0.22 0.00 0.00 0.00 0.00 53.44 50.96 3du3 n ALA 260 Cb 0.60 0.91 0.02 0.00 0.00 0.00 0.00 19.45 20.98 3du3 n ALA 260 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3du3 n THR 261 N -1.80 0.00 0.15 0.00 -2.24 -1.26 -4.78 114.28 104.35 3du3 n THR 261 Ca -0.02 -1.73 0.02 0.00 -2.27 0.00 0.00 64.05 60.06 3du3 n THR 261 Cb 0.63 -0.25 0.18 0.00 -2.10 0.00 0.00 70.33 68.79 3du3 n THR 261 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 3du3 h MET 262 N 0.00 0.00 0.15 -0.78 2.86 -1.95 -2.63 114.93 112.58 3du3 h MET 262 Ca -0.27 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.03 3du3 h MET 262 Cb 1.04 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.69 3du3 h MET 262 CO 0.41 0.51 -1.74 1.49 1.06 0.00 0.00 176.91 178.64 3du3 h GLU 263 N 0.00 0.33 0.51 1.72 4.81 -1.96 -3.39 114.58 116.60 3du3 h GLU 263 Ca -0.01 -0.56 -0.01 0.00 -0.13 0.00 0.00 59.36 58.65 3du3 h GLU 263 Cb 1.15 0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.72 3du3 h GLU 263 CO 0.07 1.22 -0.49 0.78 -0.73 0.00 0.00 179.01 179.86 3du3 h GLY 264 N 1.09 -1.22 0.86 1.92 0.00 -1.93 -2.41 103.07 101.39 3du3 h GLY 264 Ca -0.33 0.57 0.13 0.00 0.00 0.00 0.00 47.33 47.69 3du3 h GLY 264 CO 0.16 -0.37 0.45 1.19 0.00 0.00 0.00 176.54 177.96 3du3 h ILE 265 N -1.00 0.40 0.00 2.60 6.09 -1.68 2.19 117.51 126.11 3du3 h ILE 265 Ca -0.06 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.43 3du3 h ILE 265 Cb 0.87 0.65 0.00 0.00 0.47 0.00 0.00 36.82 38.80 3du3 h ILE 265 CO -0.05 0.00 0.00 0.45 -3.07 0.00 0.00 178.15 175.48 3du3 h HIS 266 N 0.00 0.00 0.18 2.19 3.86 -1.63 -0.21 115.15 119.55 3du3 h HIS 266 Ca 0.21 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 59.10 3du3 h HIS 266 Cb 1.10 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.59 3du3 h HIS 266 CO 0.00 0.00 -1.46 0.00 0.86 0.00 0.00 177.93 177.33 3du3 h ARG 267 N 0.00 0.39 -0.05 2.45 3.08 0.38 -2.49 114.38 118.13 3du3 h ARG 267 Ca 0.00 -0.67 -0.05 0.00 0.07 0.00 0.00 59.98 59.33 3du3 h ARG 267 Cb 0.92 0.25 -0.01 0.00 0.08 0.00 0.00 29.97 31.21 3du3 h ARG 267 CO 0.00 1.30 -0.20 -1.49 -1.07 0.00 0.00 179.97 178.51 3du3 h TRP 268 N 0.11 0.09 0.11 3.04 4.06 -0.91 -2.90 115.95 119.54 3du3 h TRP 268 Ca -0.23 -0.01 -0.01 0.00 2.06 0.00 0.00 58.89 60.71 3du3 h TRP 268 Cb 2.08 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 30.21 3du3 h TRP 268 CO 0.09 0.29 -0.05 0.00 -3.56 0.00 0.00 178.44 175.21 3du3 h ALA 269 N 1.72 -0.15 0.00 1.49 0.00 -1.00 -2.88 119.26 118.44 3du3 h ALA 269 Ca 0.01 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3du3 h ALA 269 Cb 0.41 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 3du3 h ALA 269 CO 0.03 -0.25 -0.12 0.97 0.00 0.00 0.00 179.25 179.88 3du3 h ILE 270 N -0.83 0.43 0.13 0.00 2.10 -1.44 -3.03 117.51 114.86 3du3 h ILE 270 Ca -0.02 -0.64 -0.36 0.00 1.08 0.00 0.00 64.86 64.93 3du3 h ILE 270 Cb 0.56 1.45 -0.02 0.00 -1.09 0.00 0.00 36.82 37.73 3du3 h ILE 270 CO 0.03 0.12 -1.97 0.79 -1.08 0.00 0.00 178.15 176.04 3du3 n TRP 271 N -3.44 1.29 -0.09 2.19 7.02 -1.10 -2.32 117.44 120.99 3du3 n TRP 271 Ca -0.01 0.28 0.08 0.00 -1.02 0.00 0.00 57.50 56.83 3du3 n TRP 271 Cb 0.28 -1.17 0.43 0.00 -2.42 0.00 0.00 31.31 28.44 3du3 n TRP 271 CO 0.00 0.00 0.00 1.98 -2.02 0.00 0.00 177.69 177.65 3du3 h MET 272 N 0.04 0.55 0.16 -0.99 4.05 -1.51 -0.73 114.93 116.49 3du3 h MET 272 Ca -0.42 -0.03 -0.25 0.00 -0.28 0.00 0.00 59.70 58.72 3du3 h MET 272 Cb 2.02 -0.12 0.02 0.00 -0.80 0.00 0.00 31.60 32.71 3du3 h MET 272 CO 0.08 0.36 -1.14 0.00 0.23 0.00 0.00 176.91 176.44 3du3 h ALA 273 N 1.68 -0.02 0.00 0.39 0.00 -1.63 -3.32 119.26 116.35 3du3 h ALA 273 Ca 0.26 -0.85 -0.07 0.00 0.00 0.00 0.00 54.91 54.25 3du3 h ALA 273 Cb 0.29 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 3du3 h ALA 273 CO -0.07 0.58 -0.32 0.28 0.00 0.00 0.00 179.25 179.72 3du3 h VAL 274 N -0.24 0.84 0.00 0.00 2.07 -1.31 -2.88 116.25 114.72 3du3 h VAL 274 Ca -0.22 -1.30 0.00 0.00 0.82 0.00 0.00 66.70 66.00 3du3 h VAL 274 Cb 1.79 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 33.36 3du3 h VAL 274 CO 0.15 0.31 0.00 -0.07 0.02 0.00 0.00 177.57 177.98 3du3 h LEU 275 N 0.00 0.00 0.40 2.57 3.38 -1.24 -2.93 115.31 117.49 3du3 h LEU 275 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3du3 h LEU 275 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 3du3 h LEU 275 CO 0.04 0.00 -0.19 0.58 0.09 0.00 0.00 178.44 178.96 3du3 h VAL 276 N 0.00 0.62 0.00 1.22 2.07 -1.61 -2.67 116.25 115.88 3du3 h VAL 276 Ca 0.00 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3du3 h VAL 276 Cb 0.68 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 3du3 h VAL 276 CO 0.00 0.03 -0.46 0.35 0.02 0.00 0.00 177.57 177.51 3du3 n THR 277 N -5.28 0.10 -0.03 2.57 -2.24 -1.23 -2.23 114.28 105.94 3du3 n THR 277 Ca -0.11 -0.08 -0.14 0.00 -2.27 0.00 0.00 64.05 61.45 3du3 n THR 277 Cb 0.25 0.03 -0.11 0.00 -2.10 0.00 0.00 70.33 68.40 3du3 n THR 277 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3du3 h LEU 278 N 0.00 0.16 -0.27 3.22 5.85 -1.50 -0.24 115.31 122.54 3du3 h LEU 278 Ca 0.00 -0.73 -0.20 0.00 0.84 0.00 0.00 57.88 57.79 3du3 h LEU 278 Cb 0.57 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.55 3du3 h LEU 278 CO 0.00 0.88 -0.62 0.74 -0.34 0.00 0.00 178.44 179.09 3du3 h THR 279 N -0.53 1.28 0.63 1.05 2.02 -1.60 -2.72 112.91 113.03 3du3 h THR 279 Ca -0.02 -1.81 -0.02 0.00 0.77 0.00 0.00 66.41 65.33 3du3 h THR 279 Cb 0.89 1.75 -0.01 0.00 -1.74 0.00 0.00 68.15 69.03 3du3 h THR 279 CO 0.03 0.59 -0.49 1.23 0.37 0.00 0.00 175.52 177.25 3du3 h GLY 280 N 0.68 -1.29 -0.50 2.16 0.00 -1.50 -0.88 103.07 101.73 3du3 h GLY 280 Ca -0.01 0.57 0.16 0.00 0.00 0.00 0.00 47.33 48.05 3du3 h GLY 280 CO 0.13 -0.41 -0.12 -1.33 0.00 0.00 0.00 176.54 174.81 3du3 h GLY 281 N -1.08 0.67 0.87 4.60 0.00 -0.97 -0.88 103.07 106.28 3du3 h GLY 281 Ca -0.08 0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 3du3 h GLY 281 CO 0.02 -0.30 0.05 -2.22 0.00 0.00 0.00 176.54 174.08 3du3 h ILE 282 N 0.03 1.22 -0.88 2.60 2.04 -1.31 -1.79 117.51 119.42 3du3 h ILE 282 Ca 0.39 -0.74 0.13 0.00 1.00 0.00 0.00 64.86 65.64 3du3 h ILE 282 Cb 0.64 1.22 -0.09 0.00 -0.74 0.00 0.00 36.82 37.85 3du3 h ILE 282 CO -0.76 0.24 0.49 1.23 0.00 0.00 0.00 178.15 179.35 3du3 h GLY 283 N 0.24 1.43 1.34 5.37 0.00 0.22 -2.50 103.07 109.18 3du3 h GLY 283 Ca 0.08 -0.30 -0.28 0.00 0.00 0.00 0.00 47.33 46.83 3du3 h GLY 283 CO 0.00 0.03 -1.17 -2.22 0.00 0.00 0.00 176.54 173.18 3du3 h ILE 284 N 0.73 1.33 -0.29 2.60 1.08 -1.25 -3.19 117.51 118.52 3du3 h ILE 284 Ca 0.46 -2.51 -0.06 0.00 -0.39 0.00 0.00 64.86 62.37 3du3 h ILE 284 Cb 0.58 2.64 -0.02 0.00 -3.07 0.00 0.00 36.82 36.96 3du3 h ILE 284 CO -0.32 0.76 -0.06 0.25 -0.69 0.00 0.00 178.15 178.08 3du3 h LEU 285 N 0.26 0.43 0.00 1.44 5.85 -0.92 -1.87 115.31 120.50 3du3 h LEU 285 Ca -0.16 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.47 3du3 h LEU 285 Cb 1.84 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.76 3du3 h LEU 285 CO 0.22 0.55 -0.20 -0.07 -0.34 0.00 0.00 178.44 178.60 3du3 h LEU 286 N 0.43 0.00 -8.74 2.25 3.38 -1.57 -3.40 115.31 107.66 3du3 h LEU 286 Ca 0.09 -0.02 -0.56 0.00 0.09 0.00 0.00 57.88 57.48 3du3 h LEU 286 Cb 0.39 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 3du3 h LEU 286 CO 0.02 0.01 1.06 -0.44 0.09 0.00 0.00 178.44 179.18 3du3 s SER 287 N -5.55 6.32 0.00 -0.43 0.01 -0.70 -1.60 113.70 111.75 3du3 s SER 287 Ca 0.07 0.69 0.00 0.00 1.31 0.00 0.00 55.95 58.01 3du3 s SER 287 Cb 0.08 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.77 3du3 s SER 287 CO 0.68 -1.47 0.00 0.61 0.41 0.00 0.00 173.24 173.46 3du3 n GLY 288 N 5.10 2.65 0.12 3.44 0.00 0.20 -4.83 105.19 111.88 3du3 n GLY 288 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 3du3 n GLY 288 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3du3 n THR 289 N -2.00 1.62 0.00 2.61 -2.24 -1.19 -4.74 114.28 108.34 3du3 n THR 289 Ca 0.00 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 3du3 n THR 289 Cb 0.00 -1.39 0.00 0.00 -2.10 0.00 0.00 70.33 66.84 3du3 n THR 289 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3du3 n VAL 290 N -3.27 0.00 -4.23 2.28 0.31 -0.94 -5.01 118.33 107.46 3du3 n VAL 290 Ca -0.35 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 63.69 3du3 n VAL 290 Cb 1.04 -0.54 -0.17 0.00 -0.91 0.00 0.00 33.84 33.27 3du3 n VAL 290 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3du3 s VAL 291 N -1.72 1.56 -0.16 2.52 1.01 -0.62 -5.01 120.40 117.97 3du3 s VAL 291 Ca 0.00 -0.65 0.19 0.00 0.00 0.00 0.00 61.98 61.52 3du3 s VAL 291 Cb 0.00 -1.45 -0.09 0.00 0.00 0.00 0.00 36.38 34.84 3du3 s VAL 291 CO 0.00 0.46 0.89 0.47 0.00 0.00 0.00 175.10 176.92 3du3 n ASP 292 N 4.51 0.83 -3.19 3.32 8.00 -1.26 0.63 116.55 129.37 3du3 n ASP 292 Ca -0.18 0.35 0.01 0.00 0.71 0.00 0.00 54.79 55.68 3du3 n ASP 292 Cb 0.51 0.32 -0.02 0.00 -0.02 0.00 0.00 41.12 41.90 3du3 n ASP 292 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3du3 s ASN 293 N -5.59 -1.04 0.53 -2.24 3.84 -1.24 -4.29 114.94 104.91 3du3 s ASN 293 Ca -0.02 0.57 0.22 0.00 0.21 0.00 0.00 52.86 53.83 3du3 s ASN 293 Cb 0.09 1.90 1.41 0.00 -0.55 0.00 0.00 41.25 44.10 3du3 s ASN 293 CO 0.81 -0.28 2.14 -0.50 -2.79 0.00 0.00 177.10 176.47 3du3 h TRP 294 N 8.04 0.00 -0.19 0.43 4.06 -0.21 -1.32 115.95 126.76 3du3 h TRP 294 Ca -0.18 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.77 3du3 h TRP 294 Cb 1.16 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.31 3du3 h TRP 294 CO 0.14 0.06 0.08 -0.92 -3.56 0.00 0.00 178.44 174.25 3du3 h TYR 295 N 0.00 0.27 -0.60 0.49 3.20 -1.78 0.32 116.97 118.88 3du3 h TYR 295 Ca -0.00 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.76 3du3 h TYR 295 Cb 0.13 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 3du3 h TYR 295 CO 0.00 0.31 0.03 0.28 -1.64 0.00 0.00 178.16 177.14 3du3 h VAL 296 N 0.16 1.26 -0.42 1.81 2.07 -1.68 -2.42 116.25 117.02 3du3 h VAL 296 Ca 0.06 -1.11 -0.08 0.00 0.82 0.00 0.00 66.70 66.39 3du3 h VAL 296 Cb 0.15 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 3du3 h VAL 296 CO -0.01 0.40 -0.08 -0.25 0.02 0.00 0.00 177.57 177.65 3du3 h TRP 297 N 0.93 0.80 0.00 1.57 7.01 -1.10 -2.86 115.95 122.30 3du3 h TRP 297 Ca 0.17 -0.13 -0.04 0.00 2.11 0.00 0.00 58.89 61.00 3du3 h TRP 297 Cb 0.52 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.37 3du3 h TRP 297 CO 0.04 0.79 -0.20 0.78 -2.79 0.00 0.00 178.44 177.06 3du3 h GLY 298 N 0.97 0.00 2.00 2.65 0.00 0.10 1.02 103.07 109.81 3du3 h GLY 298 Ca 0.12 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.27 3du3 h GLY 298 CO 0.03 0.00 -0.86 1.46 0.00 0.00 0.00 176.54 177.17 3du3 h GLN 299 N 0.00 0.00 0.00 4.80 1.08 -1.21 -3.39 115.11 116.39 3du3 h GLN 299 Ca -0.00 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 56.98 3du3 h GLN 299 Cb 0.44 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.84 3du3 h GLN 299 CO 0.03 0.86 -1.71 0.09 -0.95 0.00 0.00 178.83 177.15 3du3 n ASN 300 N -3.38 1.01 -0.27 1.46 3.02 -1.11 -5.05 115.26 110.93 3du3 n ASN 300 Ca 0.00 0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 3du3 n ASN 300 Cb 0.86 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 39.61 3du3 n ASN 300 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 3du3 n HIS 301 N -3.64 0.00 0.00 3.10 8.25 0.35 -5.12 115.22 118.16 3du3 n HIS 301 Ca -0.26 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.20 3du3 n HIS 301 Cb 0.67 -0.55 0.00 0.00 1.12 0.00 0.00 29.99 31.23 3du3 n HIS 301 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39