#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dv3 n GLN 4 N 0.00 0.08 -3.30 2.98 1.13 -1.26 -4.99 117.38 112.01 1dv3 n GLN 4 Ca 0.00 -0.01 -0.20 0.00 -1.94 0.00 0.00 57.00 54.84 1dv3 n GLN 4 Cb 0.00 -1.52 0.06 0.00 0.11 0.00 0.00 30.24 28.89 1dv3 n GLN 4 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1dv3 n ASN 5 N -1.61 -5.75 -0.01 1.08 5.15 -1.26 -4.91 115.26 107.96 1dv3 n ASN 5 Ca 0.04 -0.41 -0.21 0.00 -0.60 0.00 0.00 54.58 53.40 1dv3 n ASN 5 Cb 0.36 -4.43 -0.14 0.00 -0.53 0.00 0.00 39.78 35.05 1dv3 n ASN 5 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1dv3 n ILE 6 N -4.59 1.76 -4.72 -1.44 2.08 -1.26 -4.89 119.36 106.29 1dv3 n ILE 6 Ca -0.02 -0.62 -0.26 0.00 0.56 0.00 0.00 62.75 62.41 1dv3 n ILE 6 Cb 0.57 -1.74 -0.14 0.00 -0.75 0.00 0.00 39.64 37.57 1dv3 n ILE 6 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 1dv3 s PHE 7 N -2.55 1.79 0.44 1.39 0.08 -1.26 -4.83 117.98 113.05 1dv3 s PHE 7 Ca -0.23 -0.36 -0.23 0.00 0.12 0.00 0.00 56.93 56.23 1dv3 s PHE 7 Cb 0.07 -1.09 -0.08 0.00 -0.57 0.00 0.00 43.02 41.35 1dv3 s PHE 7 CO 0.75 0.06 1.10 -1.12 -0.10 0.00 0.00 175.22 175.91 1dv3 s SER 8 N -0.99 6.41 -0.09 1.36 0.01 -0.39 -4.98 113.70 115.03 1dv3 s SER 8 Ca 0.07 2.13 -0.16 0.00 1.31 0.00 0.00 55.95 59.31 1dv3 s SER 8 Cb -0.08 -2.59 -0.28 0.00 0.21 0.00 0.00 66.02 63.28 1dv3 s SER 8 CO 0.01 -0.74 0.61 1.56 0.41 0.00 0.00 173.24 175.09 1dv3 h GLN 9 N 2.10 0.27 -4.09 12.44 4.20 -1.97 -3.46 115.11 124.61 1dv3 h GLN 9 Ca -0.49 -0.46 -0.44 0.00 0.06 0.00 0.00 58.65 57.32 1dv3 h GLN 9 Cb 1.23 0.17 -0.34 0.00 0.30 0.00 0.00 27.48 28.84 1dv3 h GLN 9 CO 0.61 1.22 -0.78 0.54 -0.67 0.00 0.00 178.83 179.75 1dv3 s VAL 10 N -2.49 0.65 0.01 -0.54 0.11 -1.26 -5.13 120.40 111.75 1dv3 s VAL 10 Ca -0.19 -0.16 -0.13 0.00 -2.93 0.00 0.00 61.98 58.57 1dv3 s VAL 10 Cb 0.04 -0.67 -0.06 0.00 -1.53 0.00 0.00 36.38 34.17 1dv3 s VAL 10 CO 0.79 0.26 0.39 -1.10 -3.33 0.00 0.00 175.10 172.10 1dv3 s GLN 11 N 1.04 3.85 0.06 1.54 -0.21 -1.26 -5.09 119.66 119.59 1dv3 s GLN 11 Ca -0.09 0.32 0.07 0.00 0.02 0.00 0.00 55.36 55.68 1dv3 s GLN 11 Cb -0.14 -3.17 -0.03 0.00 1.00 0.00 0.00 33.01 30.67 1dv3 s GLN 11 CO -0.00 0.67 -0.19 0.54 -2.12 0.00 0.00 175.29 174.19 1dv3 s VAL 12 N -1.15 1.51 0.00 1.09 0.11 -1.26 -5.15 120.40 115.55 1dv3 s VAL 12 Ca 0.25 -1.25 -0.04 0.00 -2.93 0.00 0.00 61.98 58.01 1dv3 s VAL 12 Cb -0.16 -1.35 -0.00 0.00 -1.53 0.00 0.00 36.38 33.34 1dv3 s VAL 12 CO 0.14 0.06 0.08 -0.60 -3.33 0.00 0.00 175.10 171.44 1dv3 s ARG 13 N -1.40 0.36 0.00 1.54 3.52 -1.26 -5.05 118.95 116.66 1dv3 s ARG 13 Ca 0.05 -0.36 0.00 0.00 -0.13 0.00 0.00 55.73 55.29 1dv3 s ARG 13 Cb -0.09 0.15 0.00 0.00 -1.56 0.00 0.00 34.95 33.45 1dv3 s ARG 13 CO 0.02 -0.08 0.00 0.41 -0.81 0.00 0.00 175.30 174.85 1dv3 n GLY 14 N 1.80 4.62 3.61 8.12 0.00 -1.26 -5.12 105.19 116.95 1dv3 n GLY 14 Ca -0.21 -1.61 -0.43 0.00 0.00 0.00 0.00 46.02 43.78 1dv3 n GLY 14 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1dv3 n PRO 15 N 0.00 1.47 -1.67 1.61 -0.02 -1.26 -4.85 135.00 130.27 1dv3 n PRO 15 Ca 0.00 0.52 -0.44 0.00 -2.02 0.00 0.00 63.50 61.56 1dv3 n PRO 15 Cb 0.00 -2.02 -0.02 0.00 -0.02 0.00 0.00 33.50 31.44 1dv3 n PRO 15 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dv3 n ALA 16 N -0.14 1.02 -2.60 3.55 0.00 -1.26 -4.93 120.51 116.15 1dv3 n ALA 16 Ca 0.09 0.40 -0.40 0.00 0.00 0.00 0.00 53.44 53.52 1dv3 n ALA 16 Cb 0.36 -2.24 -0.08 0.00 0.00 0.00 0.00 19.45 17.49 1dv3 n ALA 16 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1dv3 s ASP 17 N 0.04 6.36 0.00 0.00 -1.08 -1.26 -4.94 116.67 115.79 1dv3 s ASP 17 Ca 0.64 0.32 0.27 0.00 -0.52 0.00 0.00 52.55 53.26 1dv3 s ASP 17 Cb -0.63 -2.26 0.92 0.00 -1.46 0.00 0.00 42.92 39.49 1dv3 s ASP 17 CO 0.54 -0.32 1.70 0.18 0.52 0.00 0.00 175.17 177.79 1dv3 n LEU 18 N 5.55 0.31 0.00 -1.34 4.77 -1.26 -4.69 117.00 120.35 1dv3 n LEU 18 Ca -0.05 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1dv3 n LEU 18 Cb 0.50 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 1dv3 n LEU 18 CO 0.41 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1dv3 n GLY 19 N 1.46 -1.56 3.74 -0.72 0.00 -1.26 -4.94 105.19 101.91 1dv3 n GLY 19 Ca 0.08 -1.56 -0.38 0.00 0.00 0.00 0.00 46.02 44.16 1dv3 n GLY 19 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1dv3 s MET 20 N -2.60 2.98 -0.18 1.61 -1.94 -1.26 -4.98 119.30 112.94 1dv3 s MET 20 Ca 0.00 2.23 -0.15 0.00 -1.71 0.00 0.00 55.69 56.06 1dv3 s MET 20 Cb 0.00 -2.16 -0.08 0.00 2.01 0.00 0.00 34.83 34.59 1dv3 s MET 20 CO 0.00 -1.31 -0.16 2.41 -0.01 0.00 0.00 175.02 175.95 1dv3 n THR 21 N -1.24 1.48 -1.68 2.05 -1.04 -1.26 -4.95 114.28 107.63 1dv3 n THR 21 Ca 0.12 0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 1dv3 n THR 21 Cb 0.45 -2.24 0.00 0.00 -1.82 0.00 0.00 70.33 66.72 1dv3 n THR 21 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 1dv3 n GLU 22 N -4.49 0.00 -0.44 -2.82 4.07 -1.26 -1.55 120.64 114.15 1dv3 n GLU 22 Ca -0.20 0.00 0.07 0.00 -0.06 0.00 0.00 57.16 56.96 1dv3 n GLU 22 Cb 0.50 0.00 0.25 0.00 -0.06 0.00 0.00 31.44 32.13 1dv3 n GLU 22 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1dv3 n ASP 23 N -0.73 3.50 -4.79 4.31 8.00 -0.30 -4.96 116.55 121.57 1dv3 n ASP 23 Ca 0.00 -2.31 -0.36 0.00 0.71 0.00 0.00 54.79 52.83 1dv3 n ASP 23 Cb 0.00 -0.48 -0.06 0.00 -0.02 0.00 0.00 41.12 40.56 1dv3 n ASP 23 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1dv3 s VAL 24 N -1.75 4.13 -0.87 2.53 0.11 -0.60 -4.90 120.40 119.05 1dv3 s VAL 24 Ca 0.36 1.62 -0.25 0.00 -2.93 0.00 0.00 61.98 60.78 1dv3 s VAL 24 Cb 0.23 -3.83 0.01 0.00 -1.53 0.00 0.00 36.38 31.26 1dv3 s VAL 24 CO 0.17 0.00 1.63 0.21 -3.33 0.00 0.00 175.10 173.79 1dv3 s ASN 25 N -1.73 5.84 0.62 3.54 3.84 -1.26 -4.85 114.94 120.94 1dv3 s ASN 25 Ca 0.55 -0.77 0.27 0.00 0.21 0.00 0.00 52.86 53.12 1dv3 s ASN 25 Cb -0.17 -2.56 1.41 0.00 -0.55 0.00 0.00 41.25 39.37 1dv3 s ASN 25 CO 0.22 -2.08 1.81 -0.07 -2.79 0.00 0.00 177.10 174.20 1dv3 h LEU 26 N 14.93 0.00 -1.38 3.21 4.07 -1.93 -0.61 115.31 133.60 1dv3 h LEU 26 Ca 0.01 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 57.91 1dv3 h LEU 26 Cb 1.04 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.77 1dv3 h LEU 26 CO 1.30 0.00 -0.29 0.00 -1.08 0.00 0.00 178.44 178.37 1dv3 h ALA 27 N 1.26 1.28 -0.08 1.53 0.00 -2.02 -2.75 119.26 118.48 1dv3 h ALA 27 Ca 0.13 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1dv3 h ALA 27 Cb 1.14 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1dv3 h ALA 27 CO -0.00 0.36 0.00 0.09 0.00 0.00 0.00 179.25 179.70 1dv3 n ASN 28 N -3.84 1.44 -4.73 0.00 3.02 -0.24 -4.85 115.26 106.07 1dv3 n ASN 28 Ca -0.01 -1.57 -0.39 0.00 -0.03 0.00 0.00 54.58 52.58 1dv3 n ASN 28 Cb 0.38 -0.05 -0.05 0.00 -0.61 0.00 0.00 39.78 39.45 1dv3 n ASN 28 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 1dv3 s ARG 29 N -1.90 4.39 0.44 3.52 6.06 -1.04 -0.71 118.95 129.71 1dv3 s ARG 29 Ca 0.35 0.73 -0.07 0.00 -2.50 0.00 0.00 55.73 54.24 1dv3 s ARG 29 Cb 0.19 -3.43 0.11 0.00 0.06 0.00 0.00 34.95 31.88 1dv3 s ARG 29 CO 0.30 0.14 0.48 -1.13 -2.50 0.00 0.00 175.30 172.59 1dv3 n SER 30 N 3.58 -0.78 -4.91 -2.12 3.41 -0.11 -4.97 113.62 107.72 1dv3 n SER 30 Ca -0.04 -0.95 -0.22 0.00 -0.26 0.00 0.00 58.87 57.40 1dv3 n SER 30 Cb 0.51 -0.40 0.05 0.00 -0.26 0.00 0.00 64.21 64.12 1dv3 n SER 30 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1dv3 s GLY 31 N -3.67 1.81 0.35 5.00 0.00 -1.26 -4.63 107.32 104.91 1dv3 s GLY 31 Ca 0.29 -1.44 -0.28 0.00 0.00 0.00 0.00 44.72 43.29 1dv3 s GLY 31 CO 0.21 -1.08 1.27 0.14 0.00 0.00 0.00 173.10 173.64 1dv3 s VAL 32 N -2.86 2.82 0.00 1.40 1.01 -1.26 -4.29 120.40 117.22 1dv3 s VAL 32 Ca 0.60 0.79 0.00 0.00 0.00 0.00 0.00 61.98 63.37 1dv3 s VAL 32 Cb -0.09 -3.49 0.00 0.00 0.00 0.00 0.00 36.38 32.80 1dv3 s VAL 32 CO 0.40 0.16 0.00 0.61 0.00 0.00 0.00 175.10 176.27 1dv3 n GLY 33 N 0.79 -0.16 3.88 4.51 0.00 -0.07 -4.95 105.19 109.19 1dv3 n GLY 33 Ca 0.01 -1.81 -0.29 0.00 0.00 0.00 0.00 46.02 43.93 1dv3 n GLY 33 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1dv3 s PRO 34 N -2.49 1.92 -0.18 1.61 0.04 -1.26 -4.63 135.00 130.01 1dv3 s PRO 34 Ca 0.00 0.19 -0.08 0.00 0.04 0.00 0.00 61.00 61.16 1dv3 s PRO 34 Cb 0.00 -1.94 -0.04 0.00 0.04 0.00 0.00 34.50 32.56 1dv3 s PRO 34 CO 0.00 -1.64 0.07 -0.06 0.04 0.00 0.00 177.00 175.41 1dv3 s PHE 35 N -3.49 3.28 -0.33 0.56 0.40 -1.26 -2.57 117.98 114.56 1dv3 s PHE 35 Ca 0.62 0.12 -0.11 0.00 -0.60 0.00 0.00 56.93 56.96 1dv3 s PHE 35 Cb -0.12 -2.07 -0.01 0.00 0.51 0.00 0.00 43.02 41.33 1dv3 s PHE 35 CO 0.50 0.20 0.19 0.45 0.70 0.00 0.00 175.22 177.26 1dv3 s SER 36 N 0.28 5.75 0.29 1.36 0.15 0.16 -4.93 113.70 116.76 1dv3 s SER 36 Ca 0.04 -0.54 0.10 0.00 0.70 0.00 0.00 55.95 56.25 1dv3 s SER 36 Cb -0.12 -2.05 0.42 0.00 -1.71 0.00 0.00 66.02 62.56 1dv3 s SER 36 CO -0.00 -0.23 1.66 0.74 1.20 0.00 0.00 173.24 176.61 1dv3 h THR 37 N 5.62 1.39 0.02 6.45 2.02 -1.97 -1.45 112.91 125.00 1dv3 h THR 37 Ca -0.31 -1.89 -0.00 0.00 0.77 0.00 0.00 66.41 64.98 1dv3 h THR 37 Cb 1.15 2.00 0.00 0.00 -1.74 0.00 0.00 68.15 69.55 1dv3 h THR 37 CO 0.63 0.54 -0.01 0.25 0.37 0.00 0.00 175.52 177.30 1dv3 h LEU 38 N 0.04 -0.02 -1.03 2.58 5.85 -1.96 -2.46 115.31 118.30 1dv3 h LEU 38 Ca -0.00 -0.08 -0.10 0.00 0.84 0.00 0.00 57.88 58.54 1dv3 h LEU 38 Cb 0.99 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.01 1dv3 h LEU 38 CO 0.07 0.07 -0.38 -0.07 -0.34 0.00 0.00 178.44 177.80 1dv3 h LEU 39 N -0.11 0.21 -2.31 2.25 3.38 -1.85 -3.02 115.31 113.85 1dv3 h LEU 39 Ca -0.00 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.92 1dv3 h LEU 39 Cb 0.11 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1dv3 h LEU 39 CO 0.00 0.57 0.21 1.23 0.09 0.00 0.00 178.44 180.55 1dv3 h GLY 40 N 1.17 0.00 2.00 0.83 0.00 -0.78 0.20 103.07 106.49 1dv3 h GLY 40 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.25 1dv3 h GLY 40 CO 0.06 0.00 -0.46 1.49 0.00 0.00 0.00 176.54 177.62 1dv3 h TRP 41 N 0.00 0.00 0.00 5.60 4.06 -1.41 -3.37 115.95 120.83 1dv3 h TRP 41 Ca 0.05 0.00 -0.31 0.00 2.06 0.00 0.00 58.89 60.69 1dv3 h TRP 41 Cb 0.47 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.57 1dv3 h TRP 41 CO 0.00 0.46 -2.16 0.34 -3.56 0.00 0.00 178.44 173.52 1dv3 n PHE 42 N -3.49 0.00 -1.52 0.49 7.35 0.10 -1.27 117.46 119.13 1dv3 n PHE 42 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1dv3 n PHE 42 Cb 0.59 -0.78 0.00 0.00 0.35 0.00 0.00 39.48 39.64 1dv3 n PHE 42 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1dv3 n GLY 43 N 2.42 4.42 3.76 7.13 0.00 0.48 -4.92 105.19 118.48 1dv3 n GLY 43 Ca -0.37 -0.81 -0.38 0.00 0.00 0.00 0.00 46.02 44.46 1dv3 n GLY 43 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1dv3 s ASN 44 N 1.49 5.53 0.11 1.61 0.01 -1.26 -3.85 114.94 118.58 1dv3 s ASN 44 Ca 0.00 2.72 0.20 0.00 -0.71 0.00 0.00 52.86 55.07 1dv3 s ASN 44 Cb 0.00 -2.63 -0.10 0.00 0.41 0.00 0.00 41.25 38.93 1dv3 s ASN 44 CO 0.00 -1.39 0.86 0.00 -1.51 0.00 0.00 177.10 175.06 1dv3 n ALA 45 N -0.78 2.30 -2.37 0.60 0.00 -1.26 -4.08 120.51 114.92 1dv3 n ALA 45 Ca 0.09 -0.42 -0.42 0.00 0.00 0.00 0.00 53.44 52.69 1dv3 n ALA 45 Cb 0.45 -0.98 -0.04 0.00 0.00 0.00 0.00 19.45 18.89 1dv3 n ALA 45 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1dv3 s GLN 46 N -3.19 4.55 -0.08 0.00 0.74 -1.26 0.39 119.66 120.82 1dv3 s GLN 46 Ca -0.03 1.61 -0.01 0.00 0.05 0.00 0.00 55.36 56.99 1dv3 s GLN 46 Cb 0.10 -3.36 -0.03 0.00 1.10 0.00 0.00 33.01 30.81 1dv3 s GLN 46 CO 0.81 -0.03 -0.03 -0.51 -0.55 0.00 0.00 175.29 174.98 1dv3 s LEU 47 N 0.47 3.38 0.21 3.68 1.02 -1.06 -4.96 118.68 121.43 1dv3 s LEU 47 Ca 0.52 0.06 0.00 0.00 0.02 0.00 0.00 54.13 54.74 1dv3 s LEU 47 Cb -0.26 -1.76 0.00 0.00 0.02 0.00 0.00 46.19 44.19 1dv3 s LEU 47 CO 0.31 0.37 0.00 0.61 0.02 0.00 0.00 176.35 177.65 1dv3 n GLY 48 N 2.20 -1.70 3.80 -3.19 0.00 -1.26 -0.89 105.19 104.14 1dv3 n GLY 48 Ca -0.18 -1.30 -0.30 0.00 0.00 0.00 0.00 46.02 44.24 1dv3 n GLY 48 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1dv3 s PRO 49 N -1.81 1.82 0.13 1.61 0.04 -1.26 -4.58 135.00 130.95 1dv3 s PRO 49 Ca 0.00 0.57 0.10 0.00 0.04 0.00 0.00 61.00 61.71 1dv3 s PRO 49 Cb 0.00 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.61 1dv3 s PRO 49 CO 0.00 -1.79 -0.22 -1.50 0.04 0.00 0.00 177.00 173.54 1dv3 s ILE 50 N -3.17 2.58 -0.22 0.56 2.07 -1.26 -4.92 121.20 116.84 1dv3 s ILE 50 Ca 0.62 -1.65 -0.16 0.00 -1.41 0.00 0.00 60.65 58.04 1dv3 s ILE 50 Cb -0.15 -2.18 -0.04 0.00 0.13 0.00 0.00 42.46 40.23 1dv3 s ILE 50 CO 0.54 0.07 0.43 -0.47 -1.91 0.00 0.00 174.94 173.60 1dv3 s TYR 51 N -1.17 3.33 -0.69 3.50 6.14 -1.26 -0.94 117.35 126.27 1dv3 s TYR 51 Ca 0.17 0.61 0.05 0.00 0.64 0.00 0.00 57.07 58.53 1dv3 s TYR 51 Cb -0.10 -2.59 0.17 0.00 0.42 0.00 0.00 41.96 39.87 1dv3 s TYR 51 CO 0.09 -0.11 0.50 1.28 0.64 0.00 0.00 175.55 177.95 1dv3 n LEU 52 N 4.84 2.83 0.00 6.97 4.77 0.11 -4.95 117.00 131.57 1dv3 n LEU 52 Ca -0.07 -5.17 -0.01 0.00 -0.03 0.00 0.00 56.01 50.73 1dv3 n LEU 52 Cb 0.51 -0.66 0.01 0.00 -2.33 0.00 0.00 43.42 40.94 1dv3 n LEU 52 CO 0.40 1.78 0.03 0.61 -1.33 0.00 0.00 177.39 178.87 1dv3 n GLY 53 N 1.96 -0.21 0.25 -0.72 0.00 -1.26 -4.84 105.19 100.38 1dv3 n GLY 53 Ca 0.21 -1.81 -0.11 0.00 0.00 0.00 0.00 46.02 44.31 1dv3 n GLY 53 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1dv3 h SER 54 N -0.05 0.87 -0.78 1.61 0.02 -1.99 -1.79 113.55 111.44 1dv3 h SER 54 Ca -0.02 -0.37 0.01 0.00 -0.84 0.00 0.00 61.79 60.57 1dv3 h SER 54 Cb 0.05 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.31 1dv3 h SER 54 CO 0.01 1.04 0.52 0.25 -1.14 0.00 0.00 176.83 177.51 1dv3 h LEU 55 N 0.69 0.90 -0.32 5.07 5.85 -1.94 0.01 115.31 125.56 1dv3 h LEU 55 Ca 0.11 -0.02 -0.19 0.00 0.84 0.00 0.00 57.88 58.61 1dv3 h LEU 55 Cb 0.67 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1dv3 h LEU 55 CO 0.05 0.65 -0.66 1.23 -0.34 0.00 0.00 178.44 179.37 1dv3 h GLY 56 N 1.06 0.77 0.93 3.75 0.00 -1.84 -1.43 103.07 106.31 1dv3 h GLY 56 Ca 0.29 -0.99 -0.06 0.00 0.00 0.00 0.00 47.33 46.57 1dv3 h GLY 56 CO -0.06 0.88 0.00 -2.08 0.00 0.00 0.00 176.54 175.28 1dv3 h VAL 57 N 0.51 1.26 -0.17 4.60 2.07 -0.85 -0.27 116.25 123.39 1dv3 h VAL 57 Ca -0.02 -0.99 0.01 0.00 0.82 0.00 0.00 66.70 66.52 1dv3 h VAL 57 Cb 1.25 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 1dv3 h VAL 57 CO 0.13 0.33 0.10 0.25 0.02 0.00 0.00 177.57 178.40 1dv3 h LEU 58 N 0.48 0.16 -0.13 2.57 5.85 -0.99 0.13 115.31 123.37 1dv3 h LEU 58 Ca 0.11 0.00 0.02 0.00 0.84 0.00 0.00 57.88 58.85 1dv3 h LEU 58 Cb 0.46 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 1dv3 h LEU 58 CO 0.02 0.12 -0.02 -1.28 -0.34 0.00 0.00 178.44 176.94 1dv3 h SER 59 N 0.21 -0.10 -0.65 1.25 0.87 -1.07 -0.57 113.55 113.49 1dv3 h SER 59 Ca 0.07 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.63 1dv3 h SER 59 Cb -0.00 0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 62.00 1dv3 h SER 59 CO -0.03 -0.03 0.31 0.25 -0.53 0.00 0.00 176.83 176.79 1dv3 h LEU 60 N 0.02 0.87 0.47 2.23 6.46 -0.86 0.14 115.31 124.64 1dv3 h LEU 60 Ca 0.06 -0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 57.70 1dv3 h LEU 60 Cb 0.09 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 39.80 1dv3 h LEU 60 CO -0.12 0.75 -0.23 0.15 -0.62 0.00 0.00 178.44 178.37 1dv3 h PHE 61 N 0.96 -0.59 -0.90 1.25 3.57 -0.02 -0.80 116.94 120.41 1dv3 h PHE 61 Ca 0.23 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.73 1dv3 h PHE 61 Cb 0.12 0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.01 1dv3 h PHE 61 CO 0.01 -0.30 0.60 0.77 -2.23 0.00 0.00 178.31 177.16 1dv3 h SER 62 N -0.77 1.04 -0.48 0.41 0.02 -1.02 -0.22 113.55 112.52 1dv3 h SER 62 Ca -0.06 -0.03 0.08 0.00 -0.84 0.00 0.00 61.79 60.94 1dv3 h SER 62 Cb 0.55 -0.26 -0.06 0.00 0.14 0.00 0.00 62.40 62.76 1dv3 h SER 62 CO 0.11 0.75 0.11 1.23 -1.14 0.00 0.00 176.83 177.89 1dv3 h GLY 63 N 1.22 0.59 1.17 -3.77 0.00 -0.83 0.24 103.07 101.69 1dv3 h GLY 63 Ca 0.33 -0.04 -0.13 0.00 0.00 0.00 0.00 47.33 47.49 1dv3 h GLY 63 CO -0.07 -0.05 -0.23 1.41 0.00 0.00 0.00 176.54 177.60 1dv3 h LEU 64 N 0.25 0.97 -1.20 3.11 3.38 -0.50 -2.30 115.31 119.02 1dv3 h LEU 64 Ca 0.24 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 1dv3 h LEU 64 Cb 0.31 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1dv3 h LEU 64 CO -0.30 1.15 0.14 0.24 0.09 0.00 0.00 178.44 179.76 1dv3 h MET 65 N 0.81 0.70 0.14 1.13 2.86 -0.08 0.27 114.93 120.76 1dv3 h MET 65 Ca 0.10 -0.12 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 1dv3 h MET 65 Cb 0.80 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.34 1dv3 h MET 65 CO 0.07 0.62 -0.07 2.35 1.06 0.00 0.00 176.91 180.94 1dv3 h TRP 66 N 0.69 -0.18 -0.73 -0.22 7.01 -0.35 0.11 115.95 122.28 1dv3 h TRP 66 Ca 0.16 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.14 1dv3 h TRP 66 Cb 0.22 0.06 -0.04 0.00 -2.10 0.00 0.00 29.16 27.30 1dv3 h TRP 66 CO 0.01 0.01 0.41 0.35 -2.79 0.00 0.00 178.44 176.43 1dv3 h PHE 67 N -0.34 0.98 -0.29 2.65 3.57 -1.05 -2.56 116.94 119.91 1dv3 h PHE 67 Ca -0.02 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.41 1dv3 h PHE 67 Cb 0.27 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1dv3 h PHE 67 CO -0.02 0.67 -0.03 0.35 -2.23 0.00 0.00 178.31 177.05 1dv3 h PHE 68 N 1.02 0.59 -0.50 0.41 3.57 -0.18 -0.67 116.94 121.18 1dv3 h PHE 68 Ca 0.26 -0.12 0.05 0.00 3.53 0.00 0.00 57.97 61.70 1dv3 h PHE 68 Cb 0.00 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 38.55 1dv3 h PHE 68 CO 0.01 0.70 0.23 1.15 -2.23 0.00 0.00 178.31 178.17 1dv3 h THR 69 N 0.31 0.92 -0.12 4.41 2.02 -0.46 0.15 112.91 120.14 1dv3 h THR 69 Ca 0.08 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.10 1dv3 h THR 69 Cb 0.49 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1dv3 h THR 69 CO 0.02 0.08 0.04 0.40 0.37 0.00 0.00 175.52 176.43 1dv3 h ILE 70 N 0.45 1.17 -0.87 3.11 2.04 -1.42 -2.84 117.51 119.15 1dv3 h ILE 70 Ca 0.23 -0.53 0.09 0.00 1.00 0.00 0.00 64.86 65.64 1dv3 h ILE 70 Cb 0.17 1.31 -0.07 0.00 -0.74 0.00 0.00 36.82 37.49 1dv3 h ILE 70 CO -0.18 0.16 0.52 1.23 0.00 0.00 0.00 178.15 179.88 1dv3 h GLY 71 N 0.00 1.35 1.83 5.37 0.00 -0.45 -0.86 103.07 110.33 1dv3 h GLY 71 Ca 0.04 -0.36 -0.11 0.00 0.00 0.00 0.00 47.33 46.90 1dv3 h GLY 71 CO -0.00 0.18 -0.44 1.19 0.00 0.00 0.00 176.54 177.47 1dv3 h ILE 72 N 0.89 1.32 -0.27 2.60 2.10 -0.65 -1.17 117.51 122.33 1dv3 h ILE 72 Ca 0.41 -1.57 -0.17 0.00 1.08 0.00 0.00 64.86 64.61 1dv3 h ILE 72 Cb 0.32 1.75 -0.00 0.00 -1.09 0.00 0.00 36.82 37.79 1dv3 h ILE 72 CO -0.23 0.46 -0.51 -0.25 -1.08 0.00 0.00 178.15 176.55 1dv3 h TRP 73 N 0.15 0.94 -0.36 2.19 2.91 -1.07 -1.82 115.95 118.90 1dv3 h TRP 73 Ca 0.01 -0.32 -0.03 0.00 1.13 0.00 0.00 58.89 59.68 1dv3 h TRP 73 Cb 0.84 -0.18 -0.02 0.00 -0.51 0.00 0.00 29.16 29.29 1dv3 h TRP 73 CO 0.01 1.11 0.11 0.74 -1.03 0.00 0.00 178.44 179.38 1dv3 h PHE 74 N 0.59 0.58 -0.43 2.65 -1.00 -0.90 -0.23 116.94 118.20 1dv3 h PHE 74 Ca 0.02 -0.06 -0.03 0.00 2.81 0.00 0.00 57.97 60.71 1dv3 h PHE 74 Cb 1.08 -0.17 -0.02 0.00 3.61 0.00 0.00 35.95 40.45 1dv3 h PHE 74 CO 0.06 0.57 0.13 -1.49 -1.61 0.00 0.00 178.31 175.97 1dv3 h TRP 75 N 0.43 0.63 -0.42 -0.55 4.06 -1.17 0.00 115.95 118.94 1dv3 h TRP 75 Ca 0.12 -0.04 -0.08 0.00 2.06 0.00 0.00 58.89 60.94 1dv3 h TRP 75 Cb 0.26 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 28.22 1dv3 h TRP 75 CO 0.01 0.53 -0.07 -0.92 -3.56 0.00 0.00 178.44 174.43 1dv3 h TYR 76 N 0.62 0.87 0.00 0.49 3.20 -0.95 -0.61 116.97 120.60 1dv3 h TYR 76 Ca 0.15 -0.18 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 1dv3 h TYR 76 Cb 0.19 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.25 1dv3 h TYR 76 CO 0.01 0.89 -0.04 1.96 -1.64 0.00 0.00 178.16 179.33 1dv3 h GLN 77 N 0.61 0.00 -0.16 1.82 4.20 -0.10 -2.21 115.11 119.27 1dv3 h GLN 77 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 1dv3 h GLN 77 Cb 0.58 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.36 1dv3 h GLN 77 CO 0.03 0.04 0.00 0.00 -0.67 0.00 0.00 178.83 178.24 1dv3 n ALA 78 N -2.15 2.50 -1.98 3.87 0.00 -0.10 -4.92 120.51 117.73 1dv3 n ALA 78 Ca -0.01 -0.63 -0.15 0.00 0.00 0.00 0.00 53.44 52.65 1dv3 n ALA 78 Cb 0.21 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 1dv3 n ALA 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1dv3 n GLY 79 N 1.25 0.42 2.54 0.00 0.00 -0.83 -2.23 105.19 106.34 1dv3 n GLY 79 Ca 0.17 -0.26 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 1dv3 n GLY 79 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1dv3 n TRP 80 N -3.46 -1.26 -3.72 1.61 7.02 -0.29 -4.97 117.44 112.37 1dv3 n TRP 80 Ca -0.17 0.11 -0.38 0.00 -1.02 0.00 0.00 57.50 56.03 1dv3 n TRP 80 Cb 0.59 -3.85 -0.12 0.00 -2.42 0.00 0.00 31.31 25.50 1dv3 n TRP 80 CO 0.00 0.00 0.00 1.21 -2.02 0.00 0.00 177.69 176.88 1dv3 s ASN 81 N -2.18 5.41 0.29 -0.99 3.84 -0.95 -4.99 114.94 115.36 1dv3 s ASN 81 Ca 0.06 -1.15 0.04 0.00 0.21 0.00 0.00 52.86 52.03 1dv3 s ASN 81 Cb -0.03 -1.90 0.71 0.00 -0.55 0.00 0.00 41.25 39.48 1dv3 s ASN 81 CO 0.08 -0.35 1.71 -0.65 -2.79 0.00 0.00 177.10 175.10 1dv3 h PRO 82 N 8.26 0.46 -0.45 0.43 0.11 -1.93 0.12 132.00 139.01 1dv3 h PRO 82 Ca -0.23 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.83 1dv3 h PRO 82 Cb 1.08 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 1dv3 h PRO 82 CO 0.62 0.30 0.22 0.00 -0.21 0.00 0.00 178.00 178.93 1dv3 h ALA 83 N 1.68 0.58 -0.27 -0.75 0.00 -1.96 -2.04 119.26 116.50 1dv3 h ALA 83 Ca 0.55 -0.11 -0.13 0.00 0.00 0.00 0.00 54.91 55.22 1dv3 h ALA 83 Cb 1.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1dv3 h ALA 83 CO -0.49 0.14 -0.37 0.28 0.00 0.00 0.00 179.25 178.81 1dv3 h VAL 84 N 0.59 1.29 -0.97 0.00 2.07 -1.47 -2.29 116.25 115.47 1dv3 h VAL 84 Ca 0.16 -1.53 0.01 0.00 0.82 0.00 0.00 66.70 66.16 1dv3 h VAL 84 Cb 0.12 1.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.32 1dv3 h VAL 84 CO -0.02 0.49 0.64 0.15 0.02 0.00 0.00 177.57 178.85 1dv3 h PHE 85 N 0.52 1.22 0.15 1.57 3.57 -0.54 -2.00 116.94 121.43 1dv3 h PHE 85 Ca 0.05 0.03 -0.28 0.00 3.53 0.00 0.00 57.97 61.29 1dv3 h PHE 85 Cb 0.88 -0.41 0.01 0.00 2.79 0.00 0.00 35.95 39.22 1dv3 h PHE 85 CO 0.04 0.77 -1.28 -0.07 -2.23 0.00 0.00 178.31 175.53 1dv3 h LEU 86 N 1.32 0.49 -0.29 0.59 3.38 -1.23 -2.11 115.31 117.47 1dv3 h LEU 86 Ca 0.36 -0.53 -0.14 0.00 0.09 0.00 0.00 57.88 57.66 1dv3 h LEU 86 Cb -0.15 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 1dv3 h LEU 86 CO -0.08 1.41 -0.66 0.08 0.09 0.00 0.00 178.44 179.29 1dv3 h ARG 87 N 0.09 0.00 -0.49 1.13 0.11 -1.35 -3.25 114.38 110.63 1dv3 h ARG 87 Ca -0.15 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.93 1dv3 h ARG 87 Cb 2.01 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.09 1dv3 h ARG 87 CO 0.22 0.66 0.00 -0.25 0.10 0.00 0.00 179.97 180.70 1dv3 n ASP 88 N -3.40 3.37 -0.28 0.08 8.00 -0.76 -4.70 116.55 118.85 1dv3 n ASP 88 Ca 0.00 -1.96 0.06 0.00 0.71 0.00 0.00 54.79 53.60 1dv3 n ASP 88 Cb 0.74 -0.32 0.16 0.00 -0.02 0.00 0.00 41.12 41.69 1dv3 n ASP 88 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1dv3 h LEU 89 N 3.37 -0.51 -0.29 0.64 5.85 -1.41 0.14 115.31 123.10 1dv3 h LEU 89 Ca 0.00 0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.95 1dv3 h LEU 89 Cb 0.86 0.43 0.00 0.00 0.37 0.00 0.00 40.66 42.32 1dv3 h LEU 89 CO 0.00 -0.24 0.00 0.49 -0.34 0.00 0.00 178.44 178.35 1dv3 n PHE 90 N -5.43 0.62 0.03 1.25 3.72 -1.26 -3.41 117.46 112.98 1dv3 n PHE 90 Ca 0.15 0.22 0.09 0.00 -0.05 0.00 0.00 57.45 57.85 1dv3 n PHE 90 Cb 0.51 -0.85 -0.10 0.00 -0.94 0.00 0.00 39.48 38.10 1dv3 n PHE 90 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1dv3 n PHE 91 N -2.04 0.41 -1.08 1.38 3.01 0.44 -2.03 117.46 117.55 1dv3 n PHE 91 Ca 0.04 0.12 -0.33 0.00 1.01 0.00 0.00 57.45 58.30 1dv3 n PHE 91 Cb 0.30 -0.74 0.13 0.00 -0.01 0.00 0.00 39.48 39.16 1dv3 n PHE 91 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1dv3 s PHE 92 N -3.35 1.88 -0.28 1.38 0.08 -0.90 -4.83 117.98 111.96 1dv3 s PHE 92 Ca -0.05 1.69 -0.18 0.00 0.12 0.00 0.00 56.93 58.51 1dv3 s PHE 92 Cb 0.12 -3.39 0.08 0.00 -0.57 0.00 0.00 43.02 39.25 1dv3 s PHE 92 CO 0.86 -2.66 0.69 0.45 -0.10 0.00 0.00 175.22 174.46 1dv3 s SER 93 N -2.42 -0.91 -0.52 1.36 0.15 -1.26 -4.40 113.70 105.69 1dv3 s SER 93 Ca 0.70 1.51 -0.17 0.00 0.70 0.00 0.00 55.95 58.69 1dv3 s SER 93 Cb -0.26 1.40 0.10 0.00 -1.71 0.00 0.00 66.02 65.55 1dv3 s SER 93 CO 0.52 -0.24 0.52 -0.22 1.20 0.00 0.00 173.24 175.02 1dv3 s LEU 94 N 1.42 5.68 0.24 3.45 0.20 -0.17 -4.94 118.68 124.56 1dv3 s LEU 94 Ca -0.08 -1.45 -0.12 0.00 0.69 0.00 0.00 54.13 53.17 1dv3 s LEU 94 Cb -0.05 -2.25 -0.08 0.00 -0.43 0.00 0.00 46.19 43.38 1dv3 s LEU 94 CO -0.16 -0.84 0.60 -1.61 -0.29 0.00 0.00 176.35 174.05 1dv3 s GLU 95 N 1.96 3.88 0.97 1.98 0.41 -1.26 -1.42 118.70 125.22 1dv3 s GLU 95 Ca 0.07 0.41 -0.14 0.00 -0.41 0.00 0.00 54.97 54.90 1dv3 s GLU 95 Cb -0.25 -2.63 0.17 0.00 -1.78 0.00 0.00 34.13 29.64 1dv3 s GLU 95 CO 0.06 0.30 1.17 -1.25 -0.49 0.00 0.00 175.26 175.05 1dv3 s PRO 96 N -2.74 0.67 0.71 0.39 0.04 -1.26 -4.11 135.00 128.70 1dv3 s PRO 96 Ca 0.48 0.08 -0.16 0.00 0.04 0.00 0.00 61.00 61.44 1dv3 s PRO 96 Cb -0.12 -1.80 0.01 0.00 0.04 0.00 0.00 34.50 32.63 1dv3 s PRO 96 CO 0.20 -2.48 1.10 -2.30 0.04 0.00 0.00 177.00 173.57 1dv3 n PRO 97 N -3.92 0.66 -1.32 0.56 -0.02 -1.26 -4.51 135.00 125.19 1dv3 n PRO 97 Ca 0.09 0.28 -0.30 0.00 -2.02 0.00 0.00 63.50 61.55 1dv3 n PRO 97 Cb 0.59 -2.35 0.10 0.00 -0.02 0.00 0.00 33.50 31.83 1dv3 n PRO 97 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1dv3 s ALA 98 N -1.72 2.07 0.35 3.55 0.00 -1.26 -3.24 121.76 121.51 1dv3 s ALA 98 Ca 0.76 0.07 0.10 0.00 0.00 0.00 0.00 51.96 52.90 1dv3 s ALA 98 Cb -0.35 -3.21 0.85 0.00 0.00 0.00 0.00 23.12 20.40 1dv3 s ALA 98 CO 0.47 -1.89 1.85 -1.35 0.00 0.00 0.00 175.76 174.83 1dv3 h PRO 99 N -1.21 0.64 -0.47 0.00 0.11 -1.93 -1.89 132.00 127.25 1dv3 h PRO 99 Ca -0.46 -0.04 0.14 0.00 0.11 0.00 0.00 66.00 65.75 1dv3 h PRO 99 Cb 1.25 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 1dv3 h PRO 99 CO 0.54 0.43 0.40 0.93 -0.21 0.00 0.00 178.00 180.09 1dv3 h GLU 100 N 0.66 0.00 -0.00 1.05 3.07 -2.01 -0.75 114.58 116.61 1dv3 h GLU 100 Ca 0.48 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.34 1dv3 h GLU 100 Cb 0.84 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.75 1dv3 h GLU 100 CO -0.24 0.00 -0.08 0.66 -1.40 0.00 0.00 179.01 177.95 1dv3 n TYR 101 N -4.03 0.00 0.00 4.33 4.01 -0.71 -4.99 117.16 115.76 1dv3 n TYR 101 Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 1dv3 n TYR 101 Cb 0.60 -0.26 0.00 0.00 -0.31 0.00 0.00 39.34 39.37 1dv3 n TYR 101 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1dv3 n GLY 102 N 1.33 3.36 1.13 2.72 0.00 -0.29 -1.63 105.19 111.81 1dv3 n GLY 102 Ca 0.13 0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.22 1dv3 n GLY 102 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1dv3 n LEU 103 N 0.00 4.31 -4.90 0.99 4.77 -1.24 -1.59 117.00 119.35 1dv3 n LEU 103 Ca 0.00 -3.10 -0.28 0.00 -0.03 0.00 0.00 56.01 52.60 1dv3 n LEU 103 Cb 0.00 -0.59 0.03 0.00 -2.33 0.00 0.00 43.42 40.53 1dv3 n LEU 103 CO 0.00 0.73 0.60 -0.94 -1.33 0.00 0.00 177.39 176.46 1dv3 s SER 104 N -1.79 5.77 -0.30 -1.43 1.04 -0.64 -4.97 113.70 111.38 1dv3 s SER 104 Ca 0.45 0.97 0.11 0.00 0.48 0.00 0.00 55.95 57.96 1dv3 s SER 104 Cb 0.37 -1.98 0.65 0.00 0.10 0.00 0.00 66.02 65.16 1dv3 s SER 104 CO 0.09 -1.02 1.67 0.49 0.98 0.00 0.00 173.24 175.45 1dv3 n PHE 105 N -2.67 1.92 0.13 5.02 3.72 -1.26 -4.56 117.46 119.77 1dv3 n PHE 105 Ca 0.05 -1.28 0.05 0.00 -0.05 0.00 0.00 57.45 56.22 1dv3 n PHE 105 Cb 0.56 -0.59 0.03 0.00 -0.94 0.00 0.00 39.48 38.54 1dv3 n PHE 105 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1dv3 h ALA 106 N 2.00 0.72 -1.48 4.37 0.00 -1.94 -3.48 119.26 119.45 1dv3 h ALA 106 Ca 0.24 -0.40 -0.68 0.00 0.00 0.00 0.00 54.91 54.07 1dv3 h ALA 106 Cb 2.06 -0.00 0.08 0.00 0.00 0.00 0.00 17.79 19.93 1dv3 h ALA 106 CO 0.59 0.51 0.06 0.00 0.00 0.00 0.00 179.25 180.41 1dv3 n ALA 107 N -2.23 -1.69 -1.57 0.00 0.00 -1.26 -4.90 120.51 108.86 1dv3 n ALA 107 Ca 0.00 0.48 -0.35 0.00 0.00 0.00 0.00 53.44 53.57 1dv3 n ALA 107 Cb 0.70 -1.89 0.06 0.00 0.00 0.00 0.00 19.45 18.31 1dv3 n ALA 107 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1dv3 s PRO 108 N -0.51 2.67 0.24 0.00 0.02 -1.26 -3.78 135.00 132.38 1dv3 s PRO 108 Ca 0.74 1.72 -0.11 0.00 0.02 0.00 0.00 61.00 63.36 1dv3 s PRO 108 Cb -0.93 -1.90 0.33 0.00 0.02 0.00 0.00 34.50 32.01 1dv3 s PRO 108 CO 0.54 -1.42 1.60 -0.07 -0.33 0.00 0.00 177.00 177.32 1dv3 h LEU 109 N 0.34 -0.74 0.00 -5.54 3.38 -1.90 0.21 115.31 111.05 1dv3 h LEU 109 Ca -0.49 0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1dv3 h LEU 109 Cb 1.29 0.49 0.00 0.00 0.09 0.00 0.00 40.66 42.53 1dv3 h LEU 109 CO 0.53 -0.26 0.00 0.29 0.09 0.00 0.00 178.44 179.09 1dv3 n LYS 110 N -5.52 0.87 -2.58 1.13 5.02 -1.26 -1.79 118.16 114.04 1dv3 n LYS 110 Ca 0.11 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.31 1dv3 n LYS 110 Cb 0.40 -1.39 0.04 0.00 -0.02 0.00 0.00 35.03 34.06 1dv3 n LYS 110 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1dv3 n GLU 111 N -0.89 2.26 0.00 1.97 1.02 0.67 -4.93 120.64 120.74 1dv3 n GLU 111 Ca 0.16 -3.71 0.00 0.00 -0.02 0.00 0.00 57.16 53.59 1dv3 n GLU 111 Cb 0.07 -1.78 0.00 0.00 -0.02 0.00 0.00 31.44 29.72 1dv3 n GLU 111 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1dv3 n GLY 112 N -0.55 1.54 0.30 0.62 0.00 -1.17 -4.37 105.19 101.56 1dv3 n GLY 112 Ca 0.19 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 1dv3 n GLY 112 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1dv3 h GLY 113 N 0.00 1.15 1.39 -0.02 0.00 -1.30 -1.84 103.07 102.45 1dv3 h GLY 113 Ca 0.00 -0.88 -0.10 0.00 0.00 0.00 0.00 47.33 46.36 1dv3 h GLY 113 CO 0.00 0.81 -0.14 1.41 0.00 0.00 0.00 176.54 178.61 1dv3 h LEU 114 N 0.96 0.72 -0.52 3.11 4.07 -1.59 -1.99 115.31 120.06 1dv3 h LEU 114 Ca 0.16 -0.22 -0.01 0.00 0.08 0.00 0.00 57.88 57.89 1dv3 h LEU 114 Cb 0.61 -0.19 -0.02 0.00 1.08 0.00 0.00 40.66 42.13 1dv3 h LEU 114 CO 0.04 0.88 0.27 -0.25 -1.08 0.00 0.00 178.44 178.30 1dv3 h TRP 115 N 0.65 0.73 -0.76 1.13 7.01 -1.74 0.54 115.95 123.51 1dv3 h TRP 115 Ca 0.11 -0.02 -0.03 0.00 2.11 0.00 0.00 58.89 61.05 1dv3 h TRP 115 Cb 0.61 -0.23 -0.03 0.00 -2.10 0.00 0.00 29.16 27.41 1dv3 h TRP 115 CO 0.03 0.55 0.34 -0.07 -2.79 0.00 0.00 178.44 176.49 1dv3 h LEU 116 N 0.69 1.01 -0.16 0.65 3.38 -1.01 -0.58 115.31 119.30 1dv3 h LEU 116 Ca 0.18 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1dv3 h LEU 116 Cb 0.07 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1dv3 h LEU 116 CO -0.03 0.89 0.04 0.40 0.09 0.00 0.00 178.44 179.82 1dv3 h ILE 117 N 1.08 1.20 -0.82 1.22 2.04 -0.98 -1.45 117.51 119.80 1dv3 h ILE 117 Ca 0.26 -0.65 0.10 0.00 1.00 0.00 0.00 64.86 65.57 1dv3 h ILE 117 Cb 0.16 1.33 -0.08 0.00 -0.74 0.00 0.00 36.82 37.50 1dv3 h ILE 117 CO -0.03 0.20 0.46 0.00 0.00 0.00 0.00 178.15 178.78 1dv3 h ALA 118 N 0.84 1.19 -0.14 1.87 0.00 -0.59 -1.16 119.26 121.27 1dv3 h ALA 118 Ca 0.05 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1dv3 h ALA 118 Cb 0.27 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1dv3 h ALA 118 CO 0.00 0.05 -0.33 0.77 0.00 0.00 0.00 179.25 179.75 1dv3 h SER 119 N 0.75 0.27 0.04 0.00 0.02 -0.84 -1.74 113.55 112.06 1dv3 h SER 119 Ca 0.41 -0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.26 1dv3 h SER 119 Cb 0.42 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1dv3 h SER 119 CO -0.27 0.59 -0.02 0.15 -1.14 0.00 0.00 176.83 176.14 1dv3 h PHE 120 N 0.23 -0.05 -0.88 3.45 3.57 -0.15 -0.01 116.94 123.11 1dv3 h PHE 120 Ca 0.03 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.53 1dv3 h PHE 120 Cb 0.70 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.41 1dv3 h PHE 120 CO 0.01 0.22 0.56 0.74 -2.23 0.00 0.00 178.31 177.61 1dv3 h PHE 121 N -0.33 1.13 -0.54 0.41 0.04 -1.19 -1.67 116.94 114.80 1dv3 h PHE 121 Ca -0.01 0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.69 1dv3 h PHE 121 Cb 0.30 -0.38 -0.02 0.00 2.20 0.00 0.00 35.95 38.05 1dv3 h PHE 121 CO 0.02 0.73 0.00 1.98 -0.60 0.00 0.00 178.31 180.44 1dv3 h MET 122 N 1.20 0.94 -0.41 1.51 4.05 -1.23 -0.58 114.93 120.41 1dv3 h MET 122 Ca 0.32 -0.30 0.05 0.00 -0.28 0.00 0.00 59.70 59.49 1dv3 h MET 122 Cb -0.10 -0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 30.57 1dv3 h MET 122 CO -0.06 0.95 0.13 0.35 0.23 0.00 0.00 176.91 178.51 1dv3 h PHE 123 N 0.82 0.23 -0.40 1.39 3.57 -0.46 -0.97 116.94 121.12 1dv3 h PHE 123 Ca 0.15 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.57 1dv3 h PHE 123 Cb 0.53 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 1dv3 h PHE 123 CO 0.04 0.08 -0.15 0.28 -2.23 0.00 0.00 178.31 176.33 1dv3 h VAL 124 N 0.29 1.28 0.18 1.41 2.07 -1.14 -2.54 116.25 117.79 1dv3 h VAL 124 Ca 0.19 -1.27 0.00 0.00 0.82 0.00 0.00 66.70 66.45 1dv3 h VAL 124 Cb 0.19 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1dv3 h VAL 124 CO -0.21 0.43 -0.16 0.00 0.02 0.00 0.00 177.57 177.65 1dv3 h ALA 125 N 0.83 -0.33 0.00 1.67 0.00 -0.69 -1.14 119.26 119.60 1dv3 h ALA 125 Ca 0.09 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1dv3 h ALA 125 Cb 0.69 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1dv3 h ALA 125 CO 0.05 -0.71 -0.00 0.28 0.00 0.00 0.00 179.25 178.87 1dv3 h VAL 126 N -0.36 1.05 -0.10 0.00 2.07 -1.20 -1.29 116.25 116.41 1dv3 h VAL 126 Ca -0.00 -0.14 -0.10 0.00 0.82 0.00 0.00 66.70 67.28 1dv3 h VAL 126 Cb 0.33 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 1dv3 h VAL 126 CO -0.03 0.04 -0.39 -0.50 0.02 0.00 0.00 177.57 176.71 1dv3 h TRP 127 N -0.06 0.25 -0.19 1.57 4.06 -1.44 -0.25 115.95 119.89 1dv3 h TRP 127 Ca -0.00 -0.06 -0.15 0.00 2.06 0.00 0.00 58.89 60.73 1dv3 h TRP 127 Cb 0.06 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 28.15 1dv3 h TRP 127 CO -0.06 0.58 -0.52 0.66 -3.56 0.00 0.00 178.44 175.54 1dv3 h SER 128 N 0.19 0.58 -0.40 -3.49 4.64 -1.12 -1.68 113.55 112.26 1dv3 h SER 128 Ca 0.02 -0.30 -0.09 0.00 -0.47 0.00 0.00 61.79 60.95 1dv3 h SER 128 Cb 0.77 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.68 1dv3 h SER 128 CO 0.06 1.00 -0.06 -0.25 -0.87 0.00 0.00 176.83 176.70 1dv3 h TRP 129 N 0.41 0.90 -0.78 4.77 2.91 -0.82 -1.84 115.95 121.50 1dv3 h TRP 129 Ca 0.01 -0.15 -0.03 0.00 1.13 0.00 0.00 58.89 59.85 1dv3 h TRP 129 Cb 1.05 -0.24 -0.04 0.00 -0.51 0.00 0.00 29.16 29.43 1dv3 h TRP 129 CO 0.04 0.86 0.37 2.35 -1.03 0.00 0.00 178.44 181.03 1dv3 h TRP 130 N 0.76 1.11 -0.73 2.65 7.01 -0.71 -1.46 115.95 124.58 1dv3 h TRP 130 Ca 0.13 -0.05 -0.06 0.00 2.11 0.00 0.00 58.89 61.02 1dv3 h TRP 130 Cb 0.55 -0.35 -0.03 0.00 -2.10 0.00 0.00 29.16 27.23 1dv3 h TRP 130 CO 0.03 0.80 0.21 0.78 -2.79 0.00 0.00 178.44 177.47 1dv3 h GLY 131 N 1.14 1.22 0.97 2.65 0.00 -0.82 -2.73 103.07 105.50 1dv3 h GLY 131 Ca 0.27 -0.74 0.01 0.00 0.00 0.00 0.00 47.33 46.87 1dv3 h GLY 131 CO -0.03 0.69 0.27 -0.09 0.00 0.00 0.00 176.54 177.38 1dv3 h ARG 132 N 1.09 0.54 -0.63 4.80 2.43 -0.68 -0.75 114.38 121.18 1dv3 h ARG 132 Ca 0.23 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.41 1dv3 h ARG 132 Cb 0.33 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.72 1dv3 h ARG 132 CO -0.00 0.36 0.42 1.79 -1.51 0.00 0.00 179.97 181.02 1dv3 h THR 133 N 0.55 1.06 0.17 0.20 1.35 -1.00 -0.91 112.91 114.33 1dv3 h THR 133 Ca 0.16 -0.24 -0.01 0.00 -0.55 0.00 0.00 66.41 65.77 1dv3 h THR 133 Cb -0.04 0.29 0.00 0.00 -1.73 0.00 0.00 68.15 66.67 1dv3 h THR 133 CO -0.05 0.13 -0.08 0.22 -0.25 0.00 0.00 175.52 175.49 1dv3 h TYR 134 N 0.70 -0.21 -0.62 4.73 5.03 -1.19 -3.18 116.97 122.23 1dv3 h TYR 134 Ca 0.26 -0.01 0.02 0.00 2.58 0.00 0.00 58.73 61.59 1dv3 h TYR 134 Cb 0.14 0.07 -0.04 0.00 1.55 0.00 0.00 36.73 38.46 1dv3 h TYR 134 CO -0.00 0.20 0.39 -0.07 -1.32 0.00 0.00 178.16 177.36 1dv3 h LEU 135 N -0.75 0.64 -1.88 2.82 3.38 -0.84 -0.98 115.31 117.69 1dv3 h LEU 135 Ca -0.02 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1dv3 h LEU 135 Cb 0.51 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1dv3 h LEU 135 CO 0.04 0.45 -0.08 0.03 0.09 0.00 0.00 178.44 178.97 1dv3 h ARG 136 N 0.77 0.00 0.03 1.13 2.47 -1.29 0.20 114.38 117.69 1dv3 h ARG 136 Ca 0.24 0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 58.69 1dv3 h ARG 136 Cb -0.01 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.34 1dv3 h ARG 136 CO -0.09 0.08 -1.09 0.00 0.56 0.00 0.00 179.97 179.43 1dv3 h ALA 137 N 1.92 0.11 -0.47 0.04 0.00 -1.35 -3.18 119.26 116.34 1dv3 h ALA 137 Ca -0.00 -0.72 -0.03 0.00 0.00 0.00 0.00 54.91 54.16 1dv3 h ALA 137 Cb 0.14 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1dv3 h ALA 137 CO 0.01 0.70 0.17 0.37 0.00 0.00 0.00 179.25 180.50 1dv3 h GLN 138 N 0.35 0.71 0.00 0.00 4.15 -0.00 0.88 115.11 121.20 1dv3 h GLN 138 Ca -0.14 -0.14 -0.00 0.00 0.77 0.00 0.00 58.65 59.14 1dv3 h GLN 138 Cb 1.75 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 29.33 1dv3 h GLN 138 CO 0.21 0.65 -0.02 0.00 -1.93 0.00 0.00 178.83 177.74 1dv3 h ALA 139 N 1.02 1.62 -0.37 3.38 0.00 -0.70 -0.76 119.26 123.45 1dv3 h ALA 139 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1dv3 h ALA 139 Cb 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1dv3 h ALA 139 CO -0.01 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.55 1dv3 n LEU 140 N -4.01 3.42 -0.05 0.00 4.77 -1.06 -1.15 117.00 118.92 1dv3 n LEU 140 Ca -0.03 -1.50 -0.01 0.00 -0.03 0.00 0.00 56.01 54.45 1dv3 n LEU 140 Cb 0.11 -0.24 -0.00 0.00 -2.33 0.00 0.00 43.42 40.96 1dv3 n LEU 140 CO 0.30 0.73 -0.01 0.61 -1.33 0.00 0.00 177.39 177.69 1dv3 n GLY 141 N 1.45 0.37 3.88 -0.72 0.00 -0.29 -4.94 105.19 104.95 1dv3 n GLY 141 Ca 0.19 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.85 1dv3 n GLY 141 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1dv3 s MET 142 N -0.89 2.93 0.90 1.61 -1.94 0.25 -4.98 119.30 117.18 1dv3 s MET 142 Ca 0.00 0.46 -0.12 0.00 -1.71 0.00 0.00 55.69 54.33 1dv3 s MET 142 Cb 0.00 -2.04 0.13 0.00 2.01 0.00 0.00 34.83 34.93 1dv3 s MET 142 CO 0.00 -0.97 1.09 0.20 -0.01 0.00 0.00 175.02 175.33 1dv3 s GLY 143 N -4.34 1.61 -0.27 -0.03 0.00 -1.26 -4.43 107.32 98.60 1dv3 s GLY 143 Ca 0.58 -0.09 0.08 0.00 0.00 0.00 0.00 44.72 45.28 1dv3 s GLY 143 CO 0.52 0.41 1.63 0.28 0.00 0.00 0.00 173.10 175.93 1dv3 n LYS 144 N -3.90 3.19 0.02 2.90 4.76 -1.26 -4.61 118.16 119.26 1dv3 n LYS 144 Ca 0.07 -2.52 0.16 0.00 -2.87 0.00 0.00 58.31 53.15 1dv3 n LYS 144 Cb 0.55 -2.05 0.63 0.00 -1.84 0.00 0.00 35.03 32.32 1dv3 n LYS 144 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1dv3 h HIS 145 N 2.13 0.12 -0.15 2.13 3.86 -1.98 -2.06 115.15 119.20 1dv3 h HIS 145 Ca 0.24 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.29 1dv3 h HIS 145 Cb 2.09 -0.04 0.01 0.00 1.06 0.00 0.00 27.41 30.53 1dv3 h HIS 145 CO 1.09 0.06 -0.56 1.15 0.86 0.00 0.00 177.93 180.52 1dv3 h THR 146 N 0.11 1.33 -0.48 2.45 2.02 -1.93 -2.08 112.91 114.33 1dv3 h THR 146 Ca 0.21 -1.82 -0.06 0.00 0.77 0.00 0.00 66.41 65.52 1dv3 h THR 146 Cb 0.70 2.03 -0.02 0.00 -1.74 0.00 0.00 68.15 69.12 1dv3 h THR 146 CO -0.02 0.56 0.09 0.00 0.37 0.00 0.00 175.52 176.51 1dv3 h ALA 147 N 0.53 0.64 -0.39 6.16 0.00 -1.69 -1.13 119.26 123.38 1dv3 h ALA 147 Ca -0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 1dv3 h ALA 147 Cb 1.20 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1dv3 h ALA 147 CO 0.12 0.36 0.18 -1.49 0.00 0.00 0.00 179.25 178.42 1dv3 h TRP 148 N 0.66 0.57 -0.48 0.00 -0.00 -1.41 -1.65 115.95 113.64 1dv3 h TRP 148 Ca 0.15 -0.03 -0.06 0.00 -0.00 0.00 0.00 58.89 58.95 1dv3 h TRP 148 Cb 0.38 -0.17 -0.02 0.00 -0.00 0.00 0.00 29.16 29.34 1dv3 h TRP 148 CO 0.03 0.48 0.05 0.00 -0.00 0.00 0.00 178.44 179.00 1dv3 h ALA 149 N 1.03 1.19 -0.26 1.49 0.00 -1.28 -2.25 119.26 119.18 1dv3 h ALA 149 Ca 0.13 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1dv3 h ALA 149 Cb 0.13 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1dv3 h ALA 149 CO -0.02 0.54 -0.09 0.35 0.00 0.00 0.00 179.25 180.03 1dv3 h PHE 150 N 0.72 0.44 -0.79 0.00 3.57 -0.78 -2.45 116.94 117.65 1dv3 h PHE 150 Ca 0.15 -0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.62 1dv3 h PHE 150 Cb 0.37 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 1dv3 h PHE 150 CO 0.02 0.51 0.52 -0.07 -2.23 0.00 0.00 178.31 177.06 1dv3 h LEU 151 N 0.40 0.86 -0.92 0.59 3.38 -0.68 -0.81 115.31 118.13 1dv3 h LEU 151 Ca 0.08 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1dv3 h LEU 151 Cb 0.40 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 1dv3 h LEU 151 CO 0.02 0.61 0.60 -1.28 0.09 0.00 0.00 178.44 178.48 1dv3 h SER 152 N 1.01 1.05 -0.19 -0.43 0.87 -1.40 0.21 113.55 114.67 1dv3 h SER 152 Ca 0.31 -0.03 -0.16 0.00 -1.23 0.00 0.00 61.79 60.67 1dv3 h SER 152 Cb -0.02 -0.26 -0.00 0.00 -0.44 0.00 0.00 62.40 61.67 1dv3 h SER 152 CO -0.08 0.77 -0.48 0.00 -0.53 0.00 0.00 176.83 176.50 1dv3 h ALA 153 N 1.33 0.62 -0.78 6.23 0.00 -1.40 -2.87 119.26 122.40 1dv3 h ALA 153 Ca 0.33 -0.49 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1dv3 h ALA 153 Cb -0.14 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 1dv3 h ALA 153 CO -0.07 0.68 0.45 0.82 0.00 0.00 0.00 179.25 181.12 1dv3 h ILE 154 N 0.60 1.22 -0.28 0.00 2.04 -0.38 -2.92 117.51 117.79 1dv3 h ILE 154 Ca 0.03 -0.52 0.06 0.00 1.00 0.00 0.00 64.86 65.44 1dv3 h ILE 154 Cb 1.06 0.15 -0.07 0.00 -0.74 0.00 0.00 36.82 37.22 1dv3 h ILE 154 CO 0.10 0.24 -0.16 -0.25 0.00 0.00 0.00 178.15 178.08 1dv3 h TRP 155 N 1.08 -0.40 -0.36 1.37 2.91 -0.39 0.46 115.95 120.62 1dv3 h TRP 155 Ca 0.28 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.33 1dv3 h TRP 155 Cb -0.01 0.22 -0.02 0.00 -0.51 0.00 0.00 29.16 28.84 1dv3 h TRP 155 CO 0.01 -0.23 0.22 1.25 -1.03 0.00 0.00 178.44 178.65 1dv3 h LEU 156 N -0.13 0.43 -0.49 0.65 6.46 -1.50 -0.43 115.31 120.29 1dv3 h LEU 156 Ca 0.15 -0.05 0.02 0.00 -0.12 0.00 0.00 57.88 57.88 1dv3 h LEU 156 Cb 0.35 -0.11 -0.03 0.00 -0.73 0.00 0.00 40.66 40.15 1dv3 h LEU 156 CO -0.36 0.35 0.30 -0.25 -0.62 0.00 0.00 178.44 177.87 1dv3 h TRP 157 N 0.47 0.57 -0.60 1.25 7.01 -1.27 -1.22 115.95 122.17 1dv3 h TRP 157 Ca 0.13 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.13 1dv3 h TRP 157 Cb -0.00 -0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 26.84 1dv3 h TRP 157 CO -0.04 0.34 0.30 0.52 -2.79 0.00 0.00 178.44 176.77 1dv3 h MET 158 N 0.61 0.85 -0.48 2.65 2.86 0.29 -2.15 114.93 119.56 1dv3 h MET 158 Ca 0.19 -0.12 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 1dv3 h MET 158 Cb -0.01 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.47 1dv3 h MET 158 CO -0.07 0.67 0.21 0.28 1.06 0.00 0.00 176.91 179.06 1dv3 h VAL 159 N 0.81 1.20 -0.22 -2.22 2.07 -0.78 0.27 116.25 117.38 1dv3 h VAL 159 Ca 0.21 -0.59 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 1dv3 h VAL 159 Cb 0.10 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 1dv3 h VAL 159 CO -0.03 0.23 0.01 -0.07 0.02 0.00 0.00 177.57 177.73 1dv3 h LEU 160 N 0.63 0.37 -1.15 2.57 3.38 -1.07 -1.74 115.31 118.30 1dv3 h LEU 160 Ca 0.16 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1dv3 h LEU 160 Cb 0.16 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1dv3 h LEU 160 CO -0.02 0.57 -0.25 0.61 0.09 0.00 0.00 178.44 179.44 1dv3 n GLY 161 N -0.35 0.10 1.81 0.83 0.00 -0.82 -4.30 105.19 102.46 1dv3 n GLY 161 Ca -0.04 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1dv3 n GLY 161 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1dv3 n PHE 162 N 0.24 -0.52 -0.04 1.61 3.72 -0.33 -4.82 117.46 117.31 1dv3 n PHE 162 Ca 0.08 0.09 -0.08 0.00 -0.05 0.00 0.00 57.45 57.49 1dv3 n PHE 162 Cb 0.39 0.42 -0.03 0.00 -0.94 0.00 0.00 39.48 39.33 1dv3 n PHE 162 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 176.76 177.53 1dv3 h ILE 163 N 0.00 0.78 -0.19 4.37 2.04 -1.15 -1.00 117.51 122.36 1dv3 h ILE 163 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 1dv3 h ILE 163 Cb 0.00 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1dv3 h ILE 163 CO 0.00 0.00 -0.01 -0.09 0.00 0.00 0.00 178.15 178.05 1dv3 h ARG 164 N -0.01 0.34 -0.83 2.37 2.43 -1.52 -1.74 114.38 115.43 1dv3 h ARG 164 Ca 0.10 -0.11 0.08 0.00 -0.81 0.00 0.00 59.98 59.24 1dv3 h ARG 164 Cb 0.16 -0.03 -0.07 0.00 -0.42 0.00 0.00 29.97 29.61 1dv3 h ARG 164 CO -0.22 0.56 0.49 -1.35 -1.51 0.00 0.00 179.97 177.94 1dv3 h PRO 165 N 0.09 0.82 -0.46 0.20 0.11 -1.72 0.11 132.00 131.16 1dv3 h PRO 165 Ca 0.05 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.09 1dv3 h PRO 165 Cb 0.41 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 31.31 1dv3 h PRO 165 CO 0.01 0.54 0.18 0.82 -0.21 0.00 0.00 178.00 179.34 1dv3 h ILE 166 N 0.85 1.21 -0.05 4.15 2.04 -1.08 -0.50 117.51 124.13 1dv3 h ILE 166 Ca 0.38 -0.65 -0.09 0.00 1.00 0.00 0.00 64.86 65.51 1dv3 h ILE 166 Cb 0.28 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 1dv3 h ILE 166 CO -0.22 0.24 -0.38 -0.07 0.00 0.00 0.00 178.15 177.73 1dv3 h LEU 167 N 0.60 0.09 -0.30 1.44 3.38 -0.58 -2.25 115.31 117.69 1dv3 h LEU 167 Ca 0.15 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1dv3 h LEU 167 Cb 0.20 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1dv3 h LEU 167 CO -0.01 0.47 0.00 0.24 0.09 0.00 0.00 178.44 179.23 1dv3 h MET 168 N 0.08 0.00 0.00 1.13 2.86 -0.43 -3.48 114.93 115.09 1dv3 h MET 168 Ca 0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.65 1dv3 h MET 168 Cb 0.71 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.37 1dv3 h MET 168 CO 0.05 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.43 1dv3 n GLY 169 N 0.89 0.68 3.56 8.32 0.00 -0.27 -5.07 105.19 113.30 1dv3 n GLY 169 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 1dv3 n GLY 169 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1dv3 s SER 170 N -2.75 -0.68 0.57 1.61 1.04 -0.77 -3.61 113.70 109.10 1dv3 s SER 170 Ca 0.00 1.05 0.31 0.00 0.48 0.00 0.00 55.95 57.79 1dv3 s SER 170 Cb 0.00 0.99 1.72 0.00 0.10 0.00 0.00 66.02 68.82 1dv3 s SER 170 CO 0.00 -0.42 2.18 -0.50 0.98 0.00 0.00 173.24 175.48 1dv3 h TRP 171 N 4.06 0.00 0.00 5.02 -0.00 -1.54 -2.53 115.95 120.96 1dv3 h TRP 171 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.61 1dv3 h TRP 171 Cb 1.15 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.31 1dv3 h TRP 171 CO 0.39 0.05 0.02 -1.13 -0.00 0.00 0.00 178.44 177.78 1dv3 n SER 172 N -3.63 0.55 0.07 -3.49 3.41 -1.20 -0.81 113.62 108.52 1dv3 n SER 172 Ca -0.02 0.75 0.13 0.00 -0.26 0.00 0.00 58.87 59.47 1dv3 n SER 172 Cb 0.16 -0.81 0.42 0.00 -0.26 0.00 0.00 64.21 63.72 1dv3 n SER 172 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1dv3 n GLU 173 N -2.25 0.18 -1.70 4.33 -0.58 -0.95 -4.90 120.64 114.77 1dv3 n GLU 173 Ca -0.01 0.13 -0.29 0.00 -0.42 0.00 0.00 57.16 56.56 1dv3 n GLU 173 Cb 0.06 -1.69 0.16 0.00 -0.57 0.00 0.00 31.44 29.39 1dv3 n GLU 173 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1dv3 s ALA 174 N -3.08 1.98 -0.01 0.62 0.00 0.01 -4.85 121.76 116.44 1dv3 s ALA 174 Ca 0.11 -0.87 -0.19 0.00 0.00 0.00 0.00 51.96 51.01 1dv3 s ALA 174 Cb 0.15 -2.90 -0.05 0.00 0.00 0.00 0.00 23.12 20.31 1dv3 s ALA 174 CO 0.60 -2.39 0.56 0.08 0.00 0.00 0.00 175.76 174.61 1dv3 s VAL 175 N -3.54 4.93 0.59 0.00 1.01 -1.26 -4.91 120.40 117.23 1dv3 s VAL 175 Ca 0.68 1.17 -0.13 0.00 0.00 0.00 0.00 61.98 63.70 1dv3 s VAL 175 Cb -0.09 -3.89 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 1dv3 s VAL 175 CO 0.53 0.44 1.02 -2.16 0.00 0.00 0.00 175.10 174.93 1dv3 s PRO 176 N -0.30 3.62 -0.60 2.72 0.04 -1.26 -4.85 135.00 134.37 1dv3 s PRO 176 Ca 0.29 0.87 -0.20 0.00 0.04 0.00 0.00 61.00 62.00 1dv3 s PRO 176 Cb -0.18 -2.08 0.09 0.00 0.04 0.00 0.00 34.50 32.36 1dv3 s PRO 176 CO 0.16 -0.55 0.78 0.71 0.04 0.00 0.00 177.00 178.14 1dv3 s TYR 177 N -2.94 2.90 -0.26 0.56 2.02 -0.51 -4.46 117.35 114.66 1dv3 s TYR 177 Ca 0.57 -0.76 -0.27 0.00 -0.37 0.00 0.00 57.07 56.25 1dv3 s TYR 177 Cb -0.11 -4.04 0.16 0.00 -0.40 0.00 0.00 41.96 37.56 1dv3 s TYR 177 CO 0.46 -1.37 1.21 0.20 -1.57 0.00 0.00 175.55 174.47 1dv3 s GLY 178 N 3.50 0.03 0.05 0.71 0.00 -1.26 -1.00 107.32 109.35 1dv3 s GLY 178 Ca 0.16 2.86 -0.27 0.00 0.00 0.00 0.00 44.72 47.46 1dv3 s GLY 178 CO 0.08 1.61 1.41 -2.22 0.00 0.00 0.00 173.10 173.99 1dv3 h ILE 179 N 3.01 0.00 0.10 0.90 1.08 -1.77 -2.36 117.51 118.46 1dv3 h ILE 179 Ca -0.23 0.00 -0.26 0.00 -0.39 0.00 0.00 64.86 63.97 1dv3 h ILE 179 Cb 1.18 0.00 0.01 0.00 -3.07 0.00 0.00 36.82 34.94 1dv3 h ILE 179 CO 0.19 0.00 -1.16 -0.26 -0.69 0.00 0.00 178.15 176.23 1dv3 h PHE 180 N -0.90 0.61 -0.98 1.37 0.04 -1.72 -3.32 116.94 112.04 1dv3 h PHE 180 Ca -0.08 -0.40 0.03 0.00 2.80 0.00 0.00 57.97 60.32 1dv3 h PHE 180 Cb 0.72 -0.04 -0.06 0.00 2.20 0.00 0.00 35.95 38.77 1dv3 h PHE 180 CO -0.05 1.27 0.64 0.66 -0.60 0.00 0.00 178.31 180.24 1dv3 h SER 181 N 0.15 1.08 1.06 2.17 4.64 -1.78 -0.74 113.55 120.13 1dv3 h SER 181 Ca -0.13 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1dv3 h SER 181 Cb 1.85 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 63.69 1dv3 h SER 181 CO 0.20 0.75 0.00 1.12 -0.87 0.00 0.00 176.83 178.03 1dv3 h HIS 182 N 1.26 0.00 0.05 4.77 2.07 -1.53 -0.70 115.15 121.06 1dv3 h HIS 182 Ca 0.38 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.75 1dv3 h HIS 182 Cb -0.03 0.00 0.01 0.00 2.57 0.00 0.00 27.41 29.96 1dv3 h HIS 182 CO -0.00 0.00 -0.63 -0.07 -3.07 0.00 0.00 177.93 174.16 1dv3 h LEU 183 N 0.00 0.47 -0.81 6.12 3.38 -1.28 -2.53 115.31 120.67 1dv3 h LEU 183 Ca 0.00 -0.83 0.06 0.00 0.09 0.00 0.00 57.88 57.20 1dv3 h LEU 183 Cb 0.53 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.07 1dv3 h LEU 183 CO 0.00 1.25 0.49 0.44 0.09 0.00 0.00 178.44 180.71 1dv3 h ASP 184 N -0.24 0.76 -0.81 -0.43 3.32 -0.81 -1.16 116.42 117.05 1dv3 h ASP 184 Ca -0.09 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1dv3 h ASP 184 Cb 1.39 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.76 1dv3 h ASP 184 CO 0.12 0.48 0.51 -0.25 -1.72 0.00 0.00 179.24 178.39 1dv3 h TRP 185 N 0.89 1.04 -0.37 4.55 7.01 -1.15 0.84 115.95 128.77 1dv3 h TRP 185 Ca 0.36 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.33 1dv3 h TRP 185 Cb 0.19 -0.35 -0.01 0.00 -2.10 0.00 0.00 29.16 26.88 1dv3 h TRP 185 CO -0.04 0.68 0.08 1.15 -2.79 0.00 0.00 178.44 177.51 1dv3 h THR 186 N 1.10 1.23 -0.23 2.65 2.02 -0.85 0.10 112.91 118.93 1dv3 h THR 186 Ca 0.29 -0.80 -0.02 0.00 0.77 0.00 0.00 66.41 66.66 1dv3 h THR 186 Cb -0.08 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 1dv3 h THR 186 CO -0.06 0.27 0.08 -1.13 0.37 0.00 0.00 175.52 175.05 1dv3 h ASN 187 N 0.45 0.32 -0.92 4.18 -1.24 -0.93 -2.88 115.58 114.56 1dv3 h ASN 187 Ca 0.11 -0.18 0.00 0.00 0.71 0.00 0.00 56.30 56.94 1dv3 h ASN 187 Cb 0.32 -0.08 -0.04 0.00 0.73 0.00 0.00 38.32 39.25 1dv3 h ASN 187 CO 0.00 0.42 0.59 -1.13 -1.29 0.00 0.00 177.43 176.02 1dv3 h ASN 188 N 0.21 1.07 -1.00 1.15 -1.24 -0.71 -2.05 115.58 113.02 1dv3 h ASN 188 Ca 0.07 -0.04 0.05 0.00 0.71 0.00 0.00 56.30 57.10 1dv3 h ASN 188 Cb 0.21 -0.27 -0.06 0.00 0.73 0.00 0.00 38.32 38.92 1dv3 h ASN 188 CO -0.00 0.80 0.65 0.15 -1.29 0.00 0.00 177.43 177.73 1dv3 h PHE 189 N 1.25 1.20 -0.18 0.67 3.04 -0.77 0.12 116.94 122.28 1dv3 h PHE 189 Ca 0.33 0.03 -0.09 0.00 3.98 0.00 0.00 57.97 62.22 1dv3 h PHE 189 Cb -0.11 -0.40 -0.00 0.00 2.56 0.00 0.00 35.95 38.00 1dv3 h PHE 189 CO 0.00 0.65 -0.25 1.03 -2.02 0.00 0.00 178.31 177.73 1dv3 h SER 190 N 1.20 0.53 0.10 0.41 0.87 -1.25 -2.59 113.55 112.83 1dv3 h SER 190 Ca 0.42 -0.51 0.02 0.00 -1.23 0.00 0.00 61.79 60.48 1dv3 h SER 190 Cb 0.10 -0.15 -0.04 0.00 -0.44 0.00 0.00 62.40 61.88 1dv3 h SER 190 CO -0.15 0.94 -0.26 -0.07 -0.53 0.00 0.00 176.83 176.75 1dv3 h LEU 191 N 0.13 -0.75 -2.53 2.23 4.07 -0.70 -0.32 115.31 117.44 1dv3 h LEU 191 Ca 0.02 0.09 -0.00 0.00 0.08 0.00 0.00 57.88 58.07 1dv3 h LEU 191 Cb 0.82 0.29 -0.00 0.00 1.08 0.00 0.00 40.66 42.85 1dv3 h LEU 191 CO 0.06 -0.35 -0.01 0.58 -1.08 0.00 0.00 178.44 177.64 1dv3 h VAL 192 N -0.46 0.40 -0.45 1.22 2.07 -0.82 -2.76 116.25 115.45 1dv3 h VAL 192 Ca 0.03 -0.06 -0.14 0.00 0.82 0.00 0.00 66.70 67.36 1dv3 h VAL 192 Cb 0.50 1.04 -0.08 0.00 -1.52 0.00 0.00 31.29 31.22 1dv3 h VAL 192 CO -0.16 0.01 0.08 1.41 0.02 0.00 0.00 177.57 178.93 1dv3 n HIS 193 N -3.64 1.49 -3.11 1.57 8.25 -0.94 -4.86 115.22 113.98 1dv3 n HIS 193 Ca -0.03 -1.24 -0.15 0.00 -0.26 0.00 0.00 57.72 56.04 1dv3 n HIS 193 Cb 0.10 -0.50 0.05 0.00 1.12 0.00 0.00 29.99 30.75 1dv3 n HIS 193 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1dv3 n GLY 194 N -0.65 -0.00 1.54 -1.41 0.00 -1.04 -1.55 105.19 102.08 1dv3 n GLY 194 Ca 0.32 -0.11 -0.01 0.00 0.00 0.00 0.00 46.02 46.22 1dv3 n GLY 194 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1dv3 n ASN 195 N -1.26 -3.01 0.23 1.61 2.85 -0.17 -3.14 115.26 112.37 1dv3 n ASN 195 Ca -0.01 0.45 0.16 0.00 -0.11 0.00 0.00 54.58 55.07 1dv3 n ASN 195 Cb 0.54 -2.15 0.79 0.00 1.24 0.00 0.00 39.78 40.20 1dv3 n ASN 195 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1dv3 h LEU 196 N 1.14 0.00 -2.92 1.20 3.38 -1.84 -2.18 115.31 114.09 1dv3 h LEU 196 Ca -0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1dv3 h LEU 196 Cb 0.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 1dv3 h LEU 196 CO 0.00 0.00 0.01 -0.26 0.09 0.00 0.00 178.44 178.28 1dv3 h PHE 197 N 0.00 0.00 -0.01 1.13 0.04 -1.96 0.14 116.94 116.27 1dv3 h PHE 197 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1dv3 h PHE 197 Cb 0.16 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.31 1dv3 h PHE 197 CO 0.00 0.00 -0.20 0.66 -0.60 0.00 0.00 178.31 178.17 1dv3 n TYR 198 N -3.16 0.00 -2.74 -0.55 4.01 -0.82 -4.78 117.16 109.12 1dv3 n TYR 198 Ca -0.03 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.28 1dv3 n TYR 198 Cb 0.08 -0.08 -0.03 0.00 -0.31 0.00 0.00 39.34 39.00 1dv3 n TYR 198 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1dv3 s ASN 199 N -2.36 6.86 0.29 7.72 3.84 0.47 -4.77 114.94 126.99 1dv3 s ASN 199 Ca 0.28 0.96 -0.00 0.00 0.21 0.00 0.00 52.86 54.31 1dv3 s ASN 199 Cb 0.20 -2.50 0.50 0.00 -0.55 0.00 0.00 41.25 38.90 1dv3 s ASN 199 CO 0.47 -0.77 1.91 1.55 -2.79 0.00 0.00 177.10 177.47 1dv3 h PRO 200 N 8.03 1.04 0.00 0.43 0.13 -1.86 -1.75 132.00 138.00 1dv3 h PRO 200 Ca -0.22 -0.06 -0.05 0.00 -0.87 0.00 0.00 66.00 64.81 1dv3 h PRO 200 Cb 1.07 -0.23 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 1dv3 h PRO 200 CO 0.98 0.69 -0.22 0.74 -0.23 0.00 0.00 178.00 179.95 1dv3 h PHE 201 N 1.07 0.00 -0.22 1.56 0.04 -1.91 -1.94 116.94 115.54 1dv3 h PHE 201 Ca 0.40 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.98 1dv3 h PHE 201 Cb 0.18 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.34 1dv3 h PHE 201 CO -0.00 0.22 -0.62 1.25 -0.60 0.00 0.00 178.31 178.55 1dv3 h HIS 202 N 0.00 0.98 -0.42 -0.55 2.76 -1.61 -1.46 115.15 114.85 1dv3 h HIS 202 Ca -0.00 -0.38 -0.10 0.00 -2.20 0.00 0.00 60.37 57.70 1dv3 h HIS 202 Cb 0.67 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.44 1dv3 h HIS 202 CO 0.00 1.18 -0.13 0.78 -1.30 0.00 0.00 177.93 178.47 1dv3 h GLY 203 N 0.78 0.83 0.80 5.26 0.00 -1.07 -1.74 103.07 107.92 1dv3 h GLY 203 Ca -0.01 -0.63 -0.03 0.00 0.00 0.00 0.00 47.33 46.66 1dv3 h GLY 203 CO 0.13 0.58 -0.01 1.41 0.00 0.00 0.00 176.54 178.65 1dv3 h LEU 204 N 0.69 0.32 -1.16 3.11 3.38 -1.29 -1.88 115.31 118.48 1dv3 h LEU 204 Ca 0.11 -0.32 0.15 0.00 0.09 0.00 0.00 57.88 57.91 1dv3 h LEU 204 Cb 0.60 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.19 1dv3 h LEU 204 CO 0.04 0.57 0.60 -1.28 0.09 0.00 0.00 178.44 178.46 1dv3 h SER 205 N 0.06 0.75 -0.45 -0.43 0.87 -1.01 0.78 113.55 114.12 1dv3 h SER 205 Ca 0.05 0.05 -0.14 0.00 -1.23 0.00 0.00 61.79 60.52 1dv3 h SER 205 Cb 0.41 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 1dv3 h SER 205 CO 0.01 0.36 -0.26 0.40 -0.53 0.00 0.00 176.83 176.82 1dv3 h ILE 206 N 0.79 1.27 -0.93 2.23 2.04 -1.09 -0.61 117.51 121.21 1dv3 h ILE 206 Ca 0.49 -1.43 0.02 0.00 1.00 0.00 0.00 64.86 64.94 1dv3 h ILE 206 Cb 0.71 1.19 -0.05 0.00 -0.74 0.00 0.00 36.82 37.92 1dv3 h ILE 206 CO -0.26 0.49 0.62 0.00 0.00 0.00 0.00 178.15 179.00 1dv3 h ALA 207 N 0.86 1.37 0.00 1.87 0.00 -0.06 0.01 119.26 123.30 1dv3 h ALA 207 Ca 0.10 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 1dv3 h ALA 207 Cb 0.84 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1dv3 h ALA 207 CO 0.07 0.57 -0.85 0.74 0.00 0.00 0.00 179.25 179.79 1dv3 h PHE 208 N 1.22 0.00 -0.07 0.00 0.04 -0.99 0.21 116.94 117.35 1dv3 h PHE 208 Ca 0.35 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 61.10 1dv3 h PHE 208 Cb -0.08 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.07 1dv3 h PHE 208 CO -0.00 0.85 -0.05 1.25 -0.60 0.00 0.00 178.31 179.75 1dv3 h LEU 209 N 0.00 0.17 -0.41 1.54 5.85 -0.63 0.44 115.31 122.28 1dv3 h LEU 209 Ca -0.01 -0.45 -0.02 0.00 0.84 0.00 0.00 57.88 58.24 1dv3 h LEU 209 Cb 1.57 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.53 1dv3 h LEU 209 CO 0.11 0.58 0.18 1.88 -0.34 0.00 0.00 178.44 180.85 1dv3 h TYR 210 N -0.24 0.61 0.00 1.25 0.05 -1.04 -2.72 116.97 114.87 1dv3 h TYR 210 Ca 0.01 -0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.74 1dv3 h TYR 210 Cb 0.53 -0.18 -0.00 0.00 1.01 0.00 0.00 36.73 38.08 1dv3 h TYR 210 CO 0.08 0.52 -0.08 0.78 -1.05 0.00 0.00 178.16 178.41 1dv3 h GLY 211 N 0.52 0.00 1.36 3.88 0.00 -0.47 -0.55 103.07 107.82 1dv3 h GLY 211 Ca 0.14 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.28 1dv3 h GLY 211 CO -0.01 0.00 -0.63 1.76 0.00 0.00 0.00 176.54 177.65 1dv3 h SER 212 N 0.00 0.74 0.26 0.19 0.02 -0.59 0.18 113.55 114.35 1dv3 h SER 212 Ca -0.00 -0.43 -0.16 0.00 -0.84 0.00 0.00 61.79 60.36 1dv3 h SER 212 Cb 0.16 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1dv3 h SER 212 CO 0.01 1.19 -0.62 0.00 -1.14 0.00 0.00 176.83 176.27 1dv3 h ALA 213 N 0.81 0.75 -0.00 3.77 0.00 -1.29 -0.57 119.26 122.74 1dv3 h ALA 213 Ca -0.01 -0.55 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 1dv3 h ALA 213 Cb 1.21 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1dv3 h ALA 213 CO 0.12 0.73 -0.00 1.25 0.00 0.00 0.00 179.25 181.35 1dv3 h LEU 214 N 0.26 0.01 -0.54 0.00 5.85 -0.94 -2.16 115.31 117.78 1dv3 h LEU 214 Ca -0.01 -0.33 -0.14 0.00 0.84 0.00 0.00 57.88 58.24 1dv3 h LEU 214 Cb 1.15 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 1dv3 h LEU 214 CO 0.10 0.33 -0.32 0.25 -0.34 0.00 0.00 178.44 178.46 1dv3 h LEU 215 N -0.32 0.86 -0.56 2.25 5.85 -0.60 -1.84 115.31 120.95 1dv3 h LEU 215 Ca 0.00 -0.36 -0.16 0.00 0.84 0.00 0.00 57.88 58.20 1dv3 h LEU 215 Cb 0.33 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.11 1dv3 h LEU 215 CO 0.00 1.11 -0.62 0.15 -0.34 0.00 0.00 178.44 178.75 1dv3 h PHE 216 N 0.69 0.48 -0.48 1.25 3.04 -1.16 0.31 116.94 121.06 1dv3 h PHE 216 Ca 0.07 -0.18 -0.02 0.00 3.98 0.00 0.00 57.97 61.81 1dv3 h PHE 216 Cb 0.87 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 39.28 1dv3 h PHE 216 CO 0.05 0.89 0.20 0.00 -2.02 0.00 0.00 178.31 177.43 1dv3 h ALA 217 N 1.07 0.62 0.57 2.41 0.00 -1.33 0.40 119.26 123.00 1dv3 h ALA 217 Ca -0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1dv3 h ALA 217 Cb 1.15 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.75 1dv3 h ALA 217 CO 0.10 0.22 -0.27 0.52 0.00 0.00 0.00 179.25 179.82 1dv3 h MET 218 N 0.63 -0.73 -0.22 0.00 2.86 -1.02 -1.48 114.93 114.97 1dv3 h MET 218 Ca 0.16 0.05 -0.03 0.00 -2.06 0.00 0.00 59.70 57.82 1dv3 h MET 218 Cb 0.17 0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 1dv3 h MET 218 CO -0.02 -0.46 0.03 1.25 1.06 0.00 0.00 176.91 178.77 1dv3 h HIS 219 N -0.82 0.39 -0.64 -0.22 -0.00 -0.32 -1.36 115.15 112.19 1dv3 h HIS 219 Ca -0.08 -0.06 0.03 0.00 -0.00 0.00 0.00 60.37 60.27 1dv3 h HIS 219 Cb 0.61 -0.11 -0.04 0.00 -0.00 0.00 0.00 27.41 27.87 1dv3 h HIS 219 CO -0.02 0.52 0.39 0.78 -0.00 0.00 0.00 177.93 179.59 1dv3 h GLY 220 N 0.16 0.93 1.62 5.26 0.00 -0.25 -1.55 103.07 109.23 1dv3 h GLY 220 Ca 0.07 -0.29 -0.11 0.00 0.00 0.00 0.00 47.33 47.00 1dv3 h GLY 220 CO 0.01 0.23 -0.32 0.00 0.00 0.00 0.00 176.54 176.46 1dv3 h ALA 221 N 1.29 1.05 0.09 3.60 0.00 -1.21 -2.53 119.26 121.56 1dv3 h ALA 221 Ca 0.26 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1dv3 h ALA 221 Cb 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1dv3 h ALA 221 CO -0.12 0.58 -0.04 1.15 0.00 0.00 0.00 179.25 180.82 1dv3 h THR 222 N 0.38 1.08 -0.45 0.00 2.02 -0.70 -0.78 112.91 114.46 1dv3 h THR 222 Ca 0.05 -0.65 0.04 0.00 0.77 0.00 0.00 66.41 66.62 1dv3 h THR 222 Cb 0.75 1.49 -0.04 0.00 -1.74 0.00 0.00 68.15 68.62 1dv3 h THR 222 CO 0.06 0.16 0.22 0.40 0.37 0.00 0.00 175.52 176.72 1dv3 h ILE 223 N -0.42 0.95 -0.26 3.11 1.08 -1.27 -0.97 117.51 119.72 1dv3 h ILE 223 Ca -0.01 -0.15 -0.03 0.00 -0.39 0.00 0.00 64.86 64.28 1dv3 h ILE 223 Cb 0.36 0.48 -0.01 0.00 -3.07 0.00 0.00 36.82 34.57 1dv3 h ILE 223 CO 0.02 0.08 0.03 -0.07 -0.69 0.00 0.00 178.15 177.52 1dv3 h LEU 224 N 0.43 0.35 -1.27 1.44 3.38 -1.42 0.59 115.31 118.82 1dv3 h LEU 224 Ca 0.20 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.06 1dv3 h LEU 224 Cb 0.12 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1dv3 h LEU 224 CO -0.15 0.38 -0.28 0.00 0.09 0.00 0.00 178.44 178.48 1dv3 h ALA 225 N 1.67 1.13 -0.16 1.53 0.00 0.12 -2.89 119.26 120.66 1dv3 h ALA 225 Ca 0.09 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1dv3 h ALA 225 Cb 0.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1dv3 h ALA 225 CO 0.00 0.35 0.00 1.33 0.00 0.00 0.00 179.25 180.93 1dv3 n VAL 226 N -3.62 2.12 0.39 0.00 0.24 -0.58 -4.55 118.33 112.33 1dv3 n VAL 226 Ca -0.01 -2.02 0.14 0.00 -2.04 0.00 0.00 64.34 60.41 1dv3 n VAL 226 Cb 0.41 -0.24 0.51 0.00 -1.47 0.00 0.00 33.84 33.05 1dv3 n VAL 226 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1dv3 h SER 227 N 1.11 0.00 0.39 -1.34 4.64 -0.69 -1.35 113.55 116.32 1dv3 h SER 227 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1dv3 h SER 227 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1dv3 h SER 227 CO 0.14 0.00 0.00 -2.11 -0.87 0.00 0.00 176.83 173.99 1dv3 n ARG 228 N -2.53 0.18 -0.10 4.77 1.85 -1.26 -1.47 116.66 118.09 1dv3 n ARG 228 Ca 0.02 0.15 0.09 0.00 -1.00 0.00 0.00 57.85 57.11 1dv3 n ARG 228 Cb 0.30 -1.50 0.13 0.00 -1.05 0.00 0.00 32.46 30.34 1dv3 n ARG 228 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1dv3 n PHE 229 N -1.34 0.00 -1.66 2.89 3.72 -0.62 -4.97 117.46 115.49 1dv3 n PHE 229 Ca 0.07 -0.92 -0.07 0.00 -0.05 0.00 0.00 57.45 56.48 1dv3 n PHE 229 Cb 0.15 -0.14 -0.02 0.00 -0.94 0.00 0.00 39.48 38.54 1dv3 n PHE 229 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1dv3 n GLY 230 N -1.31 0.51 0.34 1.37 0.00 -0.54 -4.50 105.19 101.05 1dv3 n GLY 230 Ca 0.14 -0.66 0.15 0.00 0.00 0.00 0.00 46.02 45.65 1dv3 n GLY 230 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1dv3 h GLY 231 N 0.00 1.77 2.00 -0.02 0.00 -1.44 -2.38 103.07 103.01 1dv3 h GLY 231 Ca -0.16 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1dv3 h GLY 231 CO 0.21 -0.20 0.00 -1.84 0.00 0.00 0.00 176.54 174.71 1dv3 n GLU 232 N -4.89 0.18 -1.44 4.80 0.00 -1.26 -3.51 120.64 114.52 1dv3 n GLU 232 Ca 0.24 0.51 -0.39 0.00 0.00 0.00 0.00 57.16 57.52 1dv3 n GLU 232 Cb 0.67 -1.92 -0.02 0.00 0.00 0.00 0.00 31.44 30.17 1dv3 n GLU 232 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1dv3 n ARG 233 N -2.27 3.70 -0.29 3.44 1.74 -0.90 -4.68 116.66 117.40 1dv3 n ARG 233 Ca 0.01 -2.38 0.05 0.00 -0.77 0.00 0.00 57.85 54.76 1dv3 n ARG 233 Cb 0.16 -2.84 0.26 0.00 -1.02 0.00 0.00 32.46 29.02 1dv3 n ARG 233 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1dv3 h GLU 234 N 5.09 0.94 -0.57 5.56 5.08 -1.83 -2.21 114.58 126.64 1dv3 h GLU 234 Ca 0.82 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 59.13 1dv3 h GLU 234 Cb 0.33 -0.21 -0.03 0.00 0.50 0.00 0.00 28.75 29.34 1dv3 h GLU 234 CO 1.77 0.62 0.38 -0.07 -1.00 0.00 0.00 179.01 180.71 1dv3 h LEU 235 N 0.97 0.65 -0.58 1.33 3.38 -1.93 -0.70 115.31 118.43 1dv3 h LEU 235 Ca 0.39 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 58.19 1dv3 h LEU 235 Cb 0.27 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1dv3 h LEU 235 CO -0.15 0.47 -0.69 -0.08 0.09 0.00 0.00 178.44 178.07 1dv3 h GLU 236 N 0.77 0.09 0.00 1.13 4.57 -1.90 -2.21 114.58 117.03 1dv3 h GLU 236 Ca 0.21 -0.08 -0.04 0.00 -1.18 0.00 0.00 59.36 58.27 1dv3 h GLU 236 Cb -0.09 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.51 1dv3 h GLU 236 CO -0.04 0.75 -0.19 1.96 -1.18 0.00 0.00 179.01 180.30 1dv3 h GLN 237 N 0.06 0.00 0.00 1.92 1.08 -0.94 0.33 115.11 117.57 1dv3 h GLN 237 Ca -0.01 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.07 1dv3 h GLN 237 Cb 1.23 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.67 1dv3 h GLN 237 CO 0.10 0.19 -0.45 0.82 -0.95 0.00 0.00 178.83 178.54 1dv3 h ILE 238 N 0.00 1.49 -0.00 2.54 2.04 -0.68 -2.60 117.51 120.29 1dv3 h ILE 238 Ca -0.00 -2.05 -0.13 0.00 1.00 0.00 0.00 64.86 63.69 1dv3 h ILE 238 Cb 0.45 2.71 -0.02 0.00 -0.74 0.00 0.00 36.82 39.22 1dv3 h ILE 238 CO 0.02 0.58 -0.60 0.00 0.00 0.00 0.00 178.15 178.15 1dv3 h ALA 239 N 0.28 1.01 -1.81 1.87 0.00 -0.97 -3.39 119.26 116.24 1dv3 h ALA 239 Ca -0.06 -0.54 -0.40 0.00 0.00 0.00 0.00 54.91 53.91 1dv3 h ALA 239 Cb 1.19 -0.10 -0.29 0.00 0.00 0.00 0.00 17.79 18.59 1dv3 h ALA 239 CO 0.09 0.75 -0.77 0.34 0.00 0.00 0.00 179.25 179.66 1dv3 s ASP 240 N -6.86 0.31 0.03 0.00 2.15 0.11 -5.09 116.67 107.32 1dv3 s ASP 240 Ca -0.02 -2.42 -0.39 0.00 0.43 0.00 0.00 52.55 50.16 1dv3 s ASP 240 Cb 0.13 0.54 -0.20 0.00 -0.30 0.00 0.00 42.92 43.09 1dv3 s ASP 240 CO 0.76 -0.14 1.02 -1.14 -0.17 0.00 0.00 175.17 175.51 1dv3 n ARG 241 N 3.03 0.05 -4.79 4.34 0.63 -0.98 -4.49 116.66 114.45 1dv3 n ARG 241 Ca 0.24 0.02 -0.34 0.00 -0.92 0.00 0.00 57.85 56.84 1dv3 n ARG 241 Cb 0.51 -1.47 -0.07 0.00 0.45 0.00 0.00 32.46 31.88 1dv3 n ARG 241 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1dv3 s GLY 242 N -0.09 3.13 0.62 5.14 0.00 -1.26 -5.01 107.32 109.84 1dv3 s GLY 242 Ca 0.88 -0.01 0.39 0.00 0.00 0.00 0.00 44.72 45.98 1dv3 s GLY 242 CO 0.57 -2.22 2.27 0.00 0.00 0.00 0.00 173.10 173.72 1dv3 h THR 243 N 1.27 0.13 0.19 0.90 1.03 -1.94 -2.26 112.91 112.24 1dv3 h THR 243 Ca -0.44 -0.14 -0.01 0.00 -0.01 0.00 0.00 66.41 65.81 1dv3 h THR 243 Cb 1.33 1.12 0.00 0.00 -1.07 0.00 0.00 68.15 69.53 1dv3 h THR 243 CO 0.73 0.01 -0.09 0.00 -0.01 0.00 0.00 175.52 176.16 1dv3 h ALA 244 N 1.99 -0.26 -0.98 0.00 0.00 -1.89 -1.09 119.26 117.03 1dv3 h ALA 244 Ca -0.00 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.79 1dv3 h ALA 244 Cb 0.12 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1dv3 h ALA 244 CO 0.00 -0.54 0.65 0.00 0.00 0.00 0.00 179.25 179.36 1dv3 h ALA 245 N 0.29 1.31 -0.06 0.00 0.00 -1.79 -1.86 119.26 117.15 1dv3 h ALA 245 Ca -0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 1dv3 h ALA 245 Cb 0.36 -0.39 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1dv3 h ALA 245 CO 0.04 0.64 -0.00 0.93 0.00 0.00 0.00 179.25 180.86 1dv3 h GLU 246 N 1.32 0.12 -0.47 0.00 5.08 -1.37 -1.44 114.58 117.81 1dv3 h GLU 246 Ca 0.36 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.64 1dv3 h GLU 246 Cb -0.14 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 1dv3 h GLU 246 CO -0.08 0.41 0.13 0.00 -1.00 0.00 0.00 179.01 178.47 1dv3 h ARG 247 N -0.19 0.70 -0.03 2.33 3.08 -1.09 -0.17 114.38 119.02 1dv3 h ARG 247 Ca 0.02 -0.13 -0.00 0.00 0.07 0.00 0.00 59.98 59.94 1dv3 h ARG 247 Cb 0.36 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 1dv3 h ARG 247 CO 0.00 0.63 0.00 0.00 -1.07 0.00 0.00 179.97 179.54 1dv3 h ALA 248 N 1.46 0.04 -0.31 0.04 0.00 -1.25 -0.59 119.26 118.65 1dv3 h ALA 248 Ca 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1dv3 h ALA 248 Cb 0.24 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1dv3 h ALA 248 CO -0.01 -0.32 0.20 0.00 0.00 0.00 0.00 179.25 179.12 1dv3 h ALA 249 N 0.74 0.39 0.00 0.00 0.00 -1.03 -2.68 119.26 116.68 1dv3 h ALA 249 Ca 0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1dv3 h ALA 249 Cb 0.28 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1dv3 h ALA 249 CO 0.00 -0.14 -0.21 -0.07 0.00 0.00 0.00 179.25 178.83 1dv3 h LEU 250 N 0.41 0.00 -0.36 0.00 3.38 -0.96 -0.09 115.31 117.70 1dv3 h LEU 250 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1dv3 h LEU 250 Cb -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1dv3 h LEU 250 CO -0.02 0.21 0.23 0.15 0.09 0.00 0.00 178.44 179.10 1dv3 h PHE 251 N 0.00 0.46 0.01 1.13 3.57 -0.75 -0.63 116.94 120.72 1dv3 h PHE 251 Ca -0.00 0.01 -0.23 0.00 3.53 0.00 0.00 57.97 61.27 1dv3 h PHE 251 Cb 0.41 -0.15 0.01 0.00 2.79 0.00 0.00 35.95 39.00 1dv3 h PHE 251 CO 0.00 0.31 -0.97 -1.49 -2.23 0.00 0.00 178.31 173.92 1dv3 h TRP 252 N 0.48 0.67 -0.71 0.41 4.06 -1.37 -1.80 115.95 117.68 1dv3 h TRP 252 Ca 0.13 -0.37 -0.03 0.00 2.06 0.00 0.00 58.89 60.68 1dv3 h TRP 252 Cb -0.03 -0.07 -0.03 0.00 -1.00 0.00 0.00 29.16 28.02 1dv3 h TRP 252 CO -0.05 1.20 0.33 -0.09 -3.56 0.00 0.00 178.44 176.27 1dv3 h ARG 253 N 0.25 1.03 0.00 0.49 2.43 -0.90 0.20 114.38 117.89 1dv3 h ARG 253 Ca -0.09 -0.16 -0.06 0.00 -0.81 0.00 0.00 59.98 58.86 1dv3 h ARG 253 Cb 1.61 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.97 1dv3 h ARG 253 CO 0.17 0.82 -0.28 -1.49 -1.51 0.00 0.00 179.97 177.68 1dv3 h TRP 254 N 1.00 0.00 0.04 2.20 6.55 -1.13 -1.27 115.95 123.33 1dv3 h TRP 254 Ca 0.24 0.00 -0.14 0.00 0.95 0.00 0.00 58.89 59.94 1dv3 h TRP 254 Cb 0.14 0.00 -0.01 0.00 -0.86 0.00 0.00 29.16 28.43 1dv3 h TRP 254 CO 0.01 0.28 -0.75 1.15 -1.05 0.00 0.00 178.44 178.08 1dv3 h THR 255 N 0.00 1.34 0.00 1.49 2.02 -0.55 -3.42 112.91 113.80 1dv3 h THR 255 Ca -0.00 -2.32 0.00 0.00 0.77 0.00 0.00 66.41 64.85 1dv3 h THR 255 Cb 0.87 2.88 0.00 0.00 -1.74 0.00 0.00 68.15 70.15 1dv3 h THR 255 CO 0.04 0.54 -0.03 1.15 0.37 0.00 0.00 175.52 177.59 1dv3 n MET 256 N -4.37 1.98 0.00 6.66 0.00 0.64 -5.02 117.12 117.01 1dv3 n MET 256 Ca -0.20 -1.63 0.00 0.00 0.00 0.00 0.00 57.70 55.87 1dv3 n MET 256 Cb 0.66 -1.04 0.00 0.00 0.00 0.00 0.00 33.22 32.84 1dv3 n MET 256 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1dv3 n GLY 257 N -0.66 2.27 3.49 3.17 0.00 -0.48 -4.99 105.19 107.98 1dv3 n GLY 257 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 1dv3 n GLY 257 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1dv3 s PHE 258 N -2.67 0.09 0.21 1.61 -0.71 -1.26 -4.92 117.98 110.33 1dv3 s PHE 258 Ca 0.00 -0.44 -0.03 0.00 -1.04 0.00 0.00 56.93 55.42 1dv3 s PHE 258 Cb 0.00 0.25 0.01 0.00 -1.21 0.00 0.00 43.02 42.07 1dv3 s PHE 258 CO 0.00 -0.88 0.33 0.27 -1.34 0.00 0.00 175.22 173.60 1dv3 n ASN 259 N -0.31 -0.92 -2.40 1.98 6.94 -1.26 -3.39 115.26 115.90 1dv3 n ASN 259 Ca -0.08 -2.05 -0.06 0.00 -0.02 0.00 0.00 54.58 52.37 1dv3 n ASN 259 Cb 0.62 1.65 -0.01 0.00 -2.36 0.00 0.00 39.78 39.68 1dv3 n ASN 259 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1dv3 n ALA 260 N -1.65 0.09 -2.59 -2.53 0.00 -1.26 -5.05 120.51 107.52 1dv3 n ALA 260 Ca -0.08 -0.44 -0.27 0.00 0.00 0.00 0.00 53.44 52.65 1dv3 n ALA 260 Cb 0.34 0.25 -0.10 0.00 0.00 0.00 0.00 19.45 19.93 1dv3 n ALA 260 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1dv3 s THR 261 N -1.46 2.09 0.40 0.00 -4.23 -1.26 -4.73 115.64 106.45 1dv3 s THR 261 Ca 0.01 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 58.59 1dv3 s THR 261 Cb 0.00 -2.94 0.24 0.00 1.34 0.00 0.00 72.50 71.14 1dv3 s THR 261 CO 0.01 -0.04 2.02 -0.03 -0.54 0.00 0.00 174.62 176.04 1dv3 h MET 262 N 1.78 0.51 0.05 3.99 4.05 -1.91 -1.44 114.93 121.96 1dv3 h MET 262 Ca -0.44 -0.05 -0.18 0.00 -0.28 0.00 0.00 59.70 58.76 1dv3 h MET 262 Cb 1.24 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.93 1dv3 h MET 262 CO 0.78 0.39 -0.91 1.49 0.23 0.00 0.00 176.91 178.89 1dv3 h GLU 263 N 0.52 0.12 -0.73 0.39 4.81 -1.94 -3.38 114.58 114.36 1dv3 h GLU 263 Ca 0.13 -0.20 0.10 0.00 -0.13 0.00 0.00 59.36 59.27 1dv3 h GLU 263 Cb 0.03 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.44 1dv3 h GLU 263 CO -0.02 1.09 0.48 0.78 -0.73 0.00 0.00 179.01 180.62 1dv3 h GLY 264 N -0.56 0.88 1.54 1.92 0.00 -1.92 -1.88 103.07 103.04 1dv3 h GLY 264 Ca -0.21 -0.25 0.04 0.00 0.00 0.00 0.00 47.33 46.91 1dv3 h GLY 264 CO -0.02 0.14 0.22 1.19 0.00 0.00 0.00 176.54 178.07 1dv3 h ILE 265 N 0.61 0.98 0.00 2.60 6.09 -1.45 0.22 117.51 126.56 1dv3 h ILE 265 Ca 0.34 -0.10 0.00 0.00 -1.37 0.00 0.00 64.86 63.74 1dv3 h ILE 265 Cb 0.51 0.68 0.00 0.00 0.47 0.00 0.00 36.82 38.48 1dv3 h ILE 265 CO -0.12 0.05 0.00 0.45 -3.07 0.00 0.00 178.15 175.46 1dv3 h HIS 266 N 0.28 0.00 0.13 2.19 3.86 -1.54 -1.14 115.15 118.92 1dv3 h HIS 266 Ca 0.14 0.00 -0.29 0.00 -1.16 0.00 0.00 60.37 59.06 1dv3 h HIS 266 Cb 0.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.68 1dv3 h HIS 266 CO -0.00 0.00 -1.36 0.00 0.86 0.00 0.00 177.93 177.43 1dv3 h ARG 267 N 0.00 0.27 -0.51 2.45 3.08 -1.01 -2.36 114.38 116.30 1dv3 h ARG 267 Ca 0.00 -0.45 -0.09 0.00 0.07 0.00 0.00 59.98 59.51 1dv3 h ARG 267 Cb 0.65 0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.85 1dv3 h ARG 267 CO 0.00 1.18 -0.03 -1.49 -1.07 0.00 0.00 179.97 178.56 1dv3 h TRP 268 N 0.07 1.01 0.40 3.04 4.06 -1.06 -2.89 115.95 120.59 1dv3 h TRP 268 Ca -0.18 -0.18 -0.02 0.00 2.06 0.00 0.00 58.89 60.57 1dv3 h TRP 268 Cb 1.99 -0.26 0.00 0.00 -1.00 0.00 0.00 29.16 29.90 1dv3 h TRP 268 CO 0.06 0.94 -0.19 0.00 -3.56 0.00 0.00 178.44 175.69 1dv3 h ALA 269 N 0.93 -0.54 -0.91 1.49 0.00 -1.24 -1.17 119.26 117.81 1dv3 h ALA 269 Ca 0.14 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1dv3 h ALA 269 Cb 0.56 0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 1dv3 h ALA 269 CO 0.03 -0.77 0.59 0.97 0.00 0.00 0.00 179.25 180.07 1dv3 h ILE 270 N -0.60 1.15 -0.32 0.00 2.10 -1.46 -2.43 117.51 115.95 1dv3 h ILE 270 Ca -0.06 -0.39 -0.18 0.00 1.08 0.00 0.00 64.86 65.32 1dv3 h ILE 270 Cb 0.45 -0.09 -0.00 0.00 -1.09 0.00 0.00 36.82 36.08 1dv3 h ILE 270 CO 0.09 0.21 -0.49 -0.50 -1.08 0.00 0.00 178.15 176.38 1dv3 h TRP 271 N 1.14 1.09 -0.54 2.19 4.06 -1.48 -1.12 115.95 121.30 1dv3 h TRP 271 Ca 0.36 -0.37 0.06 0.00 2.06 0.00 0.00 58.89 61.01 1dv3 h TRP 271 Cb 0.01 -0.21 -0.05 0.00 -1.00 0.00 0.00 29.16 27.90 1dv3 h TRP 271 CO -0.01 1.19 0.25 1.98 -3.56 0.00 0.00 178.44 178.28 1dv3 h MET 272 N 0.69 0.45 0.01 0.49 4.05 -0.82 -0.03 114.93 119.78 1dv3 h MET 272 Ca 0.03 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1dv3 h MET 272 Cb 1.09 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.79 1dv3 h MET 272 CO 0.11 0.30 -0.01 0.00 0.23 0.00 0.00 176.91 177.55 1dv3 h ALA 273 N 1.32 -0.02 -0.88 0.39 0.00 -1.44 -3.31 119.26 115.31 1dv3 h ALA 273 Ca 0.25 -0.30 0.09 0.00 0.00 0.00 0.00 54.91 54.95 1dv3 h ALA 273 Cb 0.21 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 1dv3 h ALA 273 CO -0.21 -0.20 0.57 0.28 0.00 0.00 0.00 179.25 179.70 1dv3 h VAL 274 N -0.64 0.97 0.00 0.00 2.07 -1.04 -1.02 116.25 116.59 1dv3 h VAL 274 Ca -0.00 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1dv3 h VAL 274 Cb 0.61 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1dv3 h VAL 274 CO 0.00 0.16 0.00 -0.07 0.02 0.00 0.00 177.57 177.68 1dv3 h LEU 275 N 0.88 0.00 0.32 2.57 3.38 -1.09 -2.64 115.31 118.73 1dv3 h LEU 275 Ca 0.41 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.37 1dv3 h LEU 275 Cb 0.40 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 1dv3 h LEU 275 CO -0.17 0.00 -0.19 0.58 0.09 0.00 0.00 178.44 178.75 1dv3 h VAL 276 N 0.00 0.60 0.00 1.22 2.07 -1.28 -2.13 116.25 116.73 1dv3 h VAL 276 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1dv3 h VAL 276 Cb 0.32 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1dv3 h VAL 276 CO 0.00 0.00 -0.47 0.71 0.02 0.00 0.00 177.57 177.83 1dv3 h THR 277 N -0.49 0.00 0.22 2.57 1.35 -1.69 -2.14 112.91 112.73 1dv3 h THR 277 Ca -0.03 -1.00 -0.01 0.00 -0.55 0.00 0.00 66.41 64.82 1dv3 h THR 277 Cb 0.40 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 1dv3 h THR 277 CO 0.04 0.00 -0.11 0.25 -0.25 0.00 0.00 175.52 175.45 1dv3 h LEU 278 N 0.00 -0.25 -0.53 3.87 5.85 -1.41 0.19 115.31 123.03 1dv3 h LEU 278 Ca 0.00 -0.25 -0.13 0.00 0.84 0.00 0.00 57.88 58.34 1dv3 h LEU 278 Cb 1.00 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 42.08 1dv3 h LEU 278 CO 0.00 0.16 -0.21 0.71 -0.34 0.00 0.00 178.44 178.76 1dv3 h THR 279 N -0.72 1.27 -0.42 1.05 1.35 -1.50 -2.85 112.91 111.09 1dv3 h THR 279 Ca -0.03 -1.37 0.04 0.00 -0.55 0.00 0.00 66.41 64.50 1dv3 h THR 279 Cb 0.49 1.12 -0.04 0.00 -1.73 0.00 0.00 68.15 67.99 1dv3 h THR 279 CO 0.05 0.47 0.18 1.23 -0.25 0.00 0.00 175.52 177.20 1dv3 h GLY 280 N 0.89 0.56 1.00 5.82 0.00 -1.36 -1.28 103.07 108.69 1dv3 h GLY 280 Ca 0.11 -0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.32 1dv3 h GLY 280 CO 0.06 0.07 0.38 -1.33 0.00 0.00 0.00 176.54 175.72 1dv3 h GLY 281 N 0.37 0.91 0.99 4.60 0.00 -0.88 -2.23 103.07 106.84 1dv3 h GLY 281 Ca 0.18 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 1dv3 h GLY 281 CO -0.16 0.37 0.30 -2.22 0.00 0.00 0.00 176.54 174.83 1dv3 h ILE 282 N 0.85 1.14 -0.82 2.60 2.04 -1.23 -0.15 117.51 121.94 1dv3 h ILE 282 Ca 0.23 -0.31 0.03 0.00 1.00 0.00 0.00 64.86 65.80 1dv3 h ILE 282 Cb -0.02 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 36.48 1dv3 h ILE 282 CO -0.04 0.14 0.53 1.23 0.00 0.00 0.00 178.15 180.01 1dv3 h GLY 283 N 0.65 1.18 1.14 5.37 0.00 -0.92 -1.96 103.07 108.54 1dv3 h GLY 283 Ca 0.18 -0.40 -0.23 0.00 0.00 0.00 0.00 47.33 46.88 1dv3 h GLY 283 CO -0.03 0.35 -0.82 -2.22 0.00 0.00 0.00 176.54 173.82 1dv3 h ILE 284 N 1.04 1.29 -0.35 2.60 1.08 -1.16 -3.10 117.51 118.91 1dv3 h ILE 284 Ca 0.32 -2.03 0.00 0.00 -0.39 0.00 0.00 64.86 62.77 1dv3 h ILE 284 Cb -0.01 2.11 -0.02 0.00 -3.07 0.00 0.00 36.82 35.83 1dv3 h ILE 284 CO -0.11 0.64 0.22 0.25 -0.69 0.00 0.00 178.15 178.46 1dv3 h LEU 285 N 0.45 0.40 -0.18 1.44 5.85 -0.78 -1.63 115.31 120.86 1dv3 h LEU 285 Ca -0.07 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.63 1dv3 h LEU 285 Cb 1.46 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.38 1dv3 h LEU 285 CO 0.17 0.30 0.00 -0.07 -0.34 0.00 0.00 178.44 178.50 1dv3 h LEU 286 N 0.47 0.00 -8.98 2.25 3.38 -1.36 -3.40 115.31 107.67 1dv3 h LEU 286 Ca 0.13 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.52 1dv3 h LEU 286 Cb -0.03 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.66 1dv3 h LEU 286 CO -0.03 0.00 0.85 -0.44 0.09 0.00 0.00 178.44 178.92 1dv3 s SER 287 N -5.64 6.94 0.00 -0.43 0.01 -0.62 -1.44 113.70 112.52 1dv3 s SER 287 Ca 0.07 1.14 0.00 0.00 1.31 0.00 0.00 55.95 58.47 1dv3 s SER 287 Cb 0.07 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.76 1dv3 s SER 287 CO 0.63 -0.86 0.00 0.61 0.41 0.00 0.00 173.24 174.03 1dv3 n GLY 288 N 3.81 3.29 0.13 3.44 0.00 0.34 -4.81 105.19 111.39 1dv3 n GLY 288 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 1dv3 n GLY 288 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1dv3 n THR 289 N -1.66 1.53 -0.02 2.61 -2.24 -1.22 -4.78 114.28 108.50 1dv3 n THR 289 Ca 0.00 -0.51 -0.02 0.00 -2.27 0.00 0.00 64.05 61.25 1dv3 n THR 289 Cb 0.00 -1.60 -0.03 0.00 -2.10 0.00 0.00 70.33 66.61 1dv3 n THR 289 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1dv3 n VAL 290 N -3.60 0.25 -4.02 2.28 0.31 -0.88 -5.01 118.33 107.68 1dv3 n VAL 290 Ca -0.47 -0.13 -0.30 0.00 -0.01 0.00 0.00 64.34 63.44 1dv3 n VAL 290 Cb 0.96 -0.80 -0.17 0.00 -0.91 0.00 0.00 33.84 32.92 1dv3 n VAL 290 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1dv3 s VAL 291 N -2.09 1.50 -0.03 2.52 1.01 -0.52 -5.01 120.40 117.78 1dv3 s VAL 291 Ca -0.04 -0.59 0.07 0.00 0.00 0.00 0.00 61.98 61.42 1dv3 s VAL 291 Cb 0.01 -1.42 -0.24 0.00 0.00 0.00 0.00 36.38 34.74 1dv3 s VAL 291 CO 0.13 0.45 0.73 0.44 0.00 0.00 0.00 175.10 176.85 1dv3 h ASP 292 N 8.05 0.12 -2.95 3.32 3.32 -1.89 0.98 116.42 127.36 1dv3 h ASP 292 Ca -0.37 -0.22 -0.43 0.00 0.02 0.00 0.00 57.03 56.03 1dv3 h ASP 292 Cb 1.14 -0.04 -0.40 0.00 0.22 0.00 0.00 39.33 40.25 1dv3 h ASP 292 CO 0.51 1.19 -0.73 0.21 -1.72 0.00 0.00 179.24 178.71 1dv3 s ASN 293 N -6.44 2.15 0.41 6.45 3.84 -1.26 -4.23 114.94 115.85 1dv3 s ASN 293 Ca -0.07 -0.53 0.14 0.00 0.21 0.00 0.00 52.86 52.61 1dv3 s ASN 293 Cb 0.08 -0.12 0.86 0.00 -0.55 0.00 0.00 41.25 41.53 1dv3 s ASN 293 CO 0.82 -0.35 1.90 -0.50 -2.79 0.00 0.00 177.10 176.19 1dv3 h TRP 294 N 8.40 0.00 0.23 0.43 4.06 -1.44 -0.16 115.95 127.46 1dv3 h TRP 294 Ca -0.15 0.00 -0.01 0.00 2.06 0.00 0.00 58.89 60.78 1dv3 h TRP 294 Cb 1.15 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.31 1dv3 h TRP 294 CO 0.15 0.29 -0.11 -0.92 -3.56 0.00 0.00 178.44 174.29 1dv3 h TYR 295 N 0.00 -0.28 -0.24 0.49 3.20 -1.79 0.25 116.97 118.59 1dv3 h TYR 295 Ca -0.00 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.89 1dv3 h TYR 295 Cb 0.52 0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.85 1dv3 h TYR 295 CO 0.00 -0.08 0.04 0.28 -1.64 0.00 0.00 178.16 176.76 1dv3 h VAL 296 N -0.43 0.88 -0.61 1.81 2.07 -1.82 -1.90 116.25 116.25 1dv3 h VAL 296 Ca -0.03 -0.04 0.09 0.00 0.82 0.00 0.00 66.70 67.54 1dv3 h VAL 296 Cb 0.32 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 30.76 1dv3 h VAL 296 CO 0.05 0.02 0.23 -0.25 0.02 0.00 0.00 177.57 177.64 1dv3 h TRP 297 N 0.13 0.40 -0.25 1.57 7.01 -0.80 -1.29 115.95 122.72 1dv3 h TRP 297 Ca 0.11 0.03 0.02 0.00 2.11 0.00 0.00 58.89 61.16 1dv3 h TRP 297 Cb 0.12 -0.09 -0.01 0.00 -2.10 0.00 0.00 29.16 27.08 1dv3 h TRP 297 CO -0.16 0.10 0.16 0.78 -2.79 0.00 0.00 178.44 176.54 1dv3 h GLY 298 N 0.41 0.30 2.00 2.65 0.00 0.25 -1.64 103.07 107.04 1dv3 h GLY 298 Ca 0.31 -0.11 -0.03 0.00 0.00 0.00 0.00 47.33 47.50 1dv3 h GLY 298 CO -0.30 0.10 -0.13 1.46 0.00 0.00 0.00 176.54 177.67 1dv3 h GLN 299 N 0.28 0.00 -0.48 4.80 1.08 -0.58 -2.61 115.11 117.59 1dv3 h GLN 299 Ca 0.10 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.30 1dv3 h GLN 299 Cb 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.48 1dv3 h GLN 299 CO -0.02 0.13 0.00 0.09 -0.95 0.00 0.00 178.83 178.08 1dv3 n ASN 300 N -3.68 4.56 0.00 1.46 5.03 -0.62 -5.13 115.26 116.88 1dv3 n ASN 300 Ca -0.02 -2.69 0.00 0.00 0.87 0.00 0.00 54.58 52.74 1dv3 n ASN 300 Cb 0.24 -0.56 0.00 0.00 -1.02 0.00 0.00 39.78 38.45 1dv3 n ASN 300 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00