#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cdz s THR 2 N 0.00 -0.67 0.02 0.00 -1.32 -1.26 -4.51 115.64 107.89 3cdz s THR 2 Ca 0.00 -0.33 -0.17 0.00 -1.21 0.00 0.00 61.69 59.98 3cdz s THR 2 Cb 0.00 -0.85 -0.06 0.00 -1.51 0.00 0.00 72.50 70.08 3cdz s THR 2 CO 0.00 -0.27 0.47 -0.13 -2.21 0.00 0.00 174.62 172.48 3cdz s ARG 3 N 2.35 4.05 -0.03 7.08 0.52 -0.91 -4.97 118.95 127.05 3cdz s ARG 3 Ca 0.11 0.53 0.08 0.00 -0.52 0.00 0.00 55.73 55.93 3cdz s ARG 3 Cb -0.12 -3.25 -0.02 0.00 0.52 0.00 0.00 34.95 32.09 3cdz s ARG 3 CO -0.24 0.63 -0.25 1.03 0.02 0.00 0.00 175.30 176.49 3cdz s ARG 4 N -0.94 2.12 -0.45 3.54 0.52 -1.26 -1.31 118.95 121.17 3cdz s ARG 4 Ca 0.26 -0.90 0.03 0.00 -0.52 0.00 0.00 55.73 54.60 3cdz s ARG 4 Cb -0.18 -2.01 0.16 0.00 0.52 0.00 0.00 34.95 33.45 3cdz s ARG 4 CO 0.15 0.52 0.33 0.71 0.02 0.00 0.00 175.30 177.03 3cdz s TYR 5 N -0.53 1.54 0.00 -0.53 4.12 -0.82 -4.89 117.35 116.24 3cdz s TYR 5 Ca 0.08 -2.37 -0.02 0.00 0.02 0.00 0.00 57.07 54.77 3cdz s TYR 5 Cb -0.10 -1.33 -0.09 0.00 -1.52 0.00 0.00 41.96 38.92 3cdz s TYR 5 CO -0.00 -0.78 2.01 0.66 0.02 0.00 0.00 175.55 177.46 3cdz n TYR 6 N 3.02 0.00 -3.98 2.71 4.01 -1.26 -3.51 117.16 118.15 3cdz n TYR 6 Ca 0.22 -0.88 -0.34 0.00 -0.16 0.00 0.00 57.90 56.74 3cdz n TYR 6 Cb 0.42 -0.80 -0.15 0.00 -0.31 0.00 0.00 39.34 38.51 3cdz n TYR 6 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3cdz s LEU 7 N 0.00 2.86 0.00 7.72 1.43 -1.24 -4.22 118.68 125.23 3cdz s LEU 7 Ca 0.21 -0.67 0.00 0.00 -1.03 0.00 0.00 54.13 52.64 3cdz s LEU 7 Cb 0.10 -1.65 0.00 0.00 0.03 0.00 0.00 46.19 44.68 3cdz s LEU 7 CO 0.00 -0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.12 3cdz n GLY 8 N 4.70 -0.71 3.20 -3.19 0.00 -1.25 -4.34 105.19 103.59 3cdz n GLY 8 Ca -0.18 -1.73 -0.26 0.00 0.00 0.00 0.00 46.02 43.85 3cdz n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cdz s ALA 9 N -3.73 1.60 0.34 4.61 0.00 -0.71 -3.06 121.76 120.82 3cdz s ALA 9 Ca 0.00 -0.86 0.03 0.00 0.00 0.00 0.00 51.96 51.13 3cdz s ALA 9 Cb 0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 3cdz s ALA 9 CO 0.00 0.38 0.10 0.54 0.00 0.00 0.00 175.76 176.79 3cdz s VAL 10 N -0.52 0.75 -0.24 0.00 0.11 -1.23 -2.07 120.40 117.19 3cdz s VAL 10 Ca 0.07 -2.00 -0.08 0.00 -2.93 0.00 0.00 61.98 57.04 3cdz s VAL 10 Cb -0.08 -2.56 -0.03 0.00 -1.53 0.00 0.00 36.38 32.18 3cdz s VAL 10 CO -0.00 0.00 0.08 -1.61 -3.33 0.00 0.00 175.10 170.24 3cdz s GLU 11 N -3.83 3.75 0.11 1.54 2.02 -1.18 -1.64 118.70 119.47 3cdz s GLU 11 Ca 0.32 -0.43 0.04 0.00 0.02 0.00 0.00 54.97 54.91 3cdz s GLU 11 Cb 0.06 -3.35 -0.04 0.00 0.10 0.00 0.00 34.13 30.90 3cdz s GLU 11 CO 0.15 -0.10 -0.10 -1.17 0.02 0.00 0.00 175.26 174.06 3cdz s LEU 12 N 1.41 2.45 -0.20 1.80 2.96 -1.19 -4.90 118.68 121.00 3cdz s LEU 12 Ca 0.06 -0.88 -0.10 0.00 -0.22 0.00 0.00 54.13 52.98 3cdz s LEU 12 Cb -0.15 -0.30 -0.05 0.00 0.50 0.00 0.00 46.19 46.20 3cdz s LEU 12 CO 0.04 -0.30 0.13 -0.94 -1.32 0.00 0.00 176.35 173.96 3cdz s SER 13 N -2.69 6.15 0.45 3.68 1.04 -1.26 -2.39 113.70 118.67 3cdz s SER 13 Ca 0.09 0.20 0.05 0.00 0.48 0.00 0.00 55.95 56.77 3cdz s SER 13 Cb -0.01 -2.08 -0.05 0.00 0.10 0.00 0.00 66.02 63.98 3cdz s SER 13 CO -0.00 0.16 0.03 0.86 0.98 0.00 0.00 173.24 175.27 3cdz s TRP 14 N 0.45 2.28 0.00 5.02 -0.00 -1.25 -4.91 118.94 120.53 3cdz s TRP 14 Ca 0.08 -0.76 0.00 0.00 -0.00 0.00 0.00 56.10 55.41 3cdz s TRP 14 Cb -0.11 -1.74 0.00 0.00 -0.00 0.00 0.00 33.47 31.61 3cdz s TRP 14 CO -0.01 0.33 0.00 -3.47 -0.00 0.00 0.00 176.95 173.80 3cdz n ASP 15 N -1.11 0.00 -4.58 5.86 2.03 -1.26 -4.44 116.55 113.05 3cdz n ASP 15 Ca -0.09 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.80 3cdz n ASP 15 Cb 0.67 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 41.04 3cdz n ASP 15 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 3cdz s TYR 16 N 2.18 1.75 -1.45 -0.67 1.13 -1.26 -4.80 117.35 114.23 3cdz s TYR 16 Ca 0.00 0.72 -0.08 0.00 -1.41 0.00 0.00 57.07 56.30 3cdz s TYR 16 Cb 0.00 -4.10 0.03 0.00 -1.10 0.00 0.00 41.96 36.80 3cdz s TYR 16 CO 0.00 -2.71 2.60 1.33 -2.51 0.00 0.00 175.55 174.26 3cdz n VAL 44 N 7.37 4.78 -3.57 -3.49 0.24 -1.26 -3.26 118.33 119.14 3cdz n VAL 44 Ca 0.23 -3.57 -0.10 0.00 -2.04 0.00 0.00 64.34 58.85 3cdz n VAL 44 Cb 0.49 -2.33 -0.10 0.00 -1.47 0.00 0.00 33.84 30.43 3cdz n VAL 44 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 3cdz s VAL 45 N 0.41 -0.56 0.00 3.34 -7.23 -1.26 -5.15 120.40 109.95 3cdz s VAL 45 Ca 0.60 0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.88 3cdz s VAL 45 Cb 0.18 -0.65 0.00 0.00 0.56 0.00 0.00 36.38 36.47 3cdz s VAL 45 CO -0.08 0.02 0.00 -1.22 -0.31 0.00 0.00 175.10 173.51 3cdz n TYR 46 N 5.37 0.00 -4.18 2.82 4.02 -1.26 -4.73 117.16 119.21 3cdz n TYR 46 Ca -0.06 0.00 -0.24 0.00 -0.01 0.00 0.00 57.90 57.58 3cdz n TYR 46 Cb 0.50 0.00 -0.17 0.00 -0.02 0.00 0.00 39.34 39.65 3cdz n TYR 46 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 3cdz s LYS 47 N -3.53 1.38 0.00 -0.72 3.01 -1.26 -3.79 119.74 114.82 3cdz s LYS 47 Ca 0.00 -0.25 0.00 0.00 -1.01 0.00 0.00 55.97 54.71 3cdz s LYS 47 Cb 0.00 -1.33 0.00 0.00 -1.01 0.00 0.00 37.83 35.49 3cdz s LYS 47 CO 0.00 -0.13 0.00 1.63 0.51 0.00 0.00 175.35 177.36 3cdz n LYS 48 N 4.40 3.81 -4.35 1.68 5.02 -1.01 -4.86 118.16 122.86 3cdz n LYS 48 Ca -0.18 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 55.84 3cdz n LYS 48 Cb 0.51 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 35.35 3cdz n LYS 48 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 3cdz s THR 49 N 1.34 1.33 0.00 -0.18 -1.32 -1.23 -3.20 115.64 112.38 3cdz s THR 49 Ca 0.00 -0.53 0.00 0.00 -1.21 0.00 0.00 61.69 59.95 3cdz s THR 49 Cb 0.00 -1.24 0.00 0.00 -1.51 0.00 0.00 72.50 69.75 3cdz s THR 49 CO 0.00 0.41 0.00 -0.11 -2.21 0.00 0.00 174.62 172.71 3cdz n LEU 50 N 4.30 0.00 -3.66 9.08 0.00 -0.65 -2.96 117.00 123.11 3cdz n LEU 50 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 56.01 55.53 3cdz n LEU 50 Cb 0.51 0.00 -0.15 0.00 0.00 0.00 0.00 43.42 43.78 3cdz n LEU 50 CO 0.23 -0.01 -0.33 0.12 0.00 0.00 0.00 177.39 177.40 3cdz s PHE 51 N 1.50 1.17 0.53 1.96 5.99 -1.26 -3.53 117.98 124.33 3cdz s PHE 51 Ca 0.00 -1.39 -0.09 0.00 0.00 0.00 0.00 56.93 55.46 3cdz s PHE 51 Cb 0.00 -1.39 0.13 0.00 0.00 0.00 0.00 43.02 41.76 3cdz s PHE 51 CO 0.00 -0.85 0.47 1.33 -0.00 0.00 0.00 175.22 176.17 3cdz n VAL 52 N 5.01 0.00 -1.00 3.12 0.24 -1.17 -3.07 118.33 121.45 3cdz n VAL 52 Ca -0.04 -0.21 0.00 0.00 -2.04 0.00 0.00 64.34 62.06 3cdz n VAL 52 Cb 0.42 -1.09 0.00 0.00 -1.47 0.00 0.00 33.84 31.70 3cdz n VAL 52 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3cdz n GLU 53 N -2.93 -0.00 -3.89 7.34 1.02 -1.26 -4.43 120.64 116.49 3cdz n GLU 53 Ca 0.06 -0.06 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 3cdz n GLU 53 Cb 0.25 -0.50 -0.04 0.00 -0.02 0.00 0.00 31.44 31.13 3cdz n GLU 53 CO 0.00 0.00 0.00 -0.59 1.18 0.00 0.00 177.13 177.72 3cdz s PHE 54 N -0.00 3.50 -0.31 -0.32 -0.71 -1.26 -4.80 117.98 114.08 3cdz s PHE 54 Ca 0.00 0.23 0.00 0.00 -1.04 0.00 0.00 56.93 56.12 3cdz s PHE 54 Cb 0.00 -1.75 0.00 0.00 -1.21 0.00 0.00 43.02 40.06 3cdz s PHE 54 CO 0.00 0.53 0.59 -2.37 -1.34 0.00 0.00 175.22 172.64 3cdz n THR 55 N -0.09 0.49 -1.33 -4.49 5.66 -1.26 -4.32 114.28 108.93 3cdz n THR 55 Ca -0.05 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.59 3cdz n THR 55 Cb 0.52 -0.70 0.09 0.00 -1.55 0.00 0.00 70.33 68.69 3cdz n THR 55 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 3cdz n ASP 56 N 0.50 0.30 -0.01 1.09 3.85 -1.26 -4.91 116.55 116.12 3cdz n ASP 56 Ca 0.00 0.65 0.01 0.00 -0.71 0.00 0.00 54.79 54.74 3cdz n ASP 56 Cb 0.30 -1.39 -0.03 0.00 -1.35 0.00 0.00 41.12 38.65 3cdz n ASP 56 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.20 177.60 3cdz n HIS 57 N -2.53 0.00 0.00 2.11 -0.00 -1.26 -5.00 115.22 108.53 3cdz n HIS 57 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.85 3cdz n HIS 57 Cb 0.49 -0.10 0.00 0.00 -0.00 0.00 0.00 29.99 30.38 3cdz n HIS 57 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3cdz n LEU 58 N -1.74 0.00 -3.17 2.41 4.77 -1.26 -5.09 117.00 112.92 3cdz n LEU 58 Ca -0.02 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.77 3cdz n LEU 58 Cb 0.21 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.27 3cdz n LEU 58 CO 0.07 0.00 -0.23 0.49 -1.33 0.00 0.00 177.39 176.40 3cdz n PHE 59 N 0.00 -0.07 -4.98 -1.77 3.01 -1.26 -5.08 117.46 107.31 3cdz n PHE 59 Ca 0.00 -3.69 -0.32 0.00 1.01 0.00 0.00 57.45 54.45 3cdz n PHE 59 Cb 0.00 -0.32 -0.15 0.00 -0.01 0.00 0.00 39.48 39.00 3cdz n PHE 59 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3cdz s ASN 60 N -2.09 3.71 0.71 4.37 4.22 -1.26 -5.11 114.94 119.48 3cdz s ASN 60 Ca 0.38 -0.34 -0.17 0.00 -2.14 0.00 0.00 52.86 50.59 3cdz s ASN 60 Cb 0.30 -1.06 -0.15 0.00 1.28 0.00 0.00 41.25 41.63 3cdz s ASN 60 CO -0.09 0.26 -0.41 2.30 -2.04 0.00 0.00 177.10 177.12 3cdz n ILE 61 N 2.86 0.00 0.00 0.54 -5.35 -1.26 -4.30 119.36 111.86 3cdz n ILE 61 Ca -0.17 -0.49 0.00 0.00 -0.27 0.00 0.00 62.75 61.81 3cdz n ILE 61 Cb 0.52 0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.42 3cdz n ILE 61 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3cdz n ALA 62 N -1.91 0.00 -3.72 -1.28 0.00 -1.26 -4.49 120.51 107.85 3cdz n ALA 62 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.21 3cdz n ALA 62 Cb 0.50 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.79 3cdz n ALA 62 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3cdz s LYS 63 N 0.00 1.81 0.00 0.00 1.02 -1.26 -4.10 119.74 117.21 3cdz s LYS 63 Ca 0.00 -0.40 0.20 0.00 0.02 0.00 0.00 55.97 55.79 3cdz s LYS 63 Cb 0.00 -1.65 -0.13 0.00 -0.52 0.00 0.00 37.83 35.53 3cdz s LYS 63 CO 0.00 -0.13 0.91 -0.35 -0.92 0.00 0.00 175.35 174.86 3cdz n PRO 64 N 4.40 0.88 0.29 -1.68 -0.04 -1.26 -4.88 135.00 132.71 3cdz n PRO 64 Ca -0.18 -0.39 0.18 0.00 -0.04 0.00 0.00 63.50 63.07 3cdz n PRO 64 Cb 0.51 -1.42 0.80 0.00 -0.04 0.00 0.00 33.50 33.35 3cdz n PRO 64 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 3cdz h ARG 65 N 0.93 0.00 -0.51 0.54 0.11 -1.92 -3.42 114.38 110.11 3cdz h ARG 65 Ca 0.00 0.00 0.06 0.00 0.10 0.00 0.00 59.98 60.14 3cdz h ARG 65 Cb 0.56 0.00 -0.07 0.00 1.11 0.00 0.00 29.97 31.57 3cdz h ARG 65 CO 0.00 0.01 -0.26 -2.30 0.10 0.00 0.00 179.97 177.52 3cdz n PRO 66 N -3.12 -0.18 0.00 0.08 -0.02 -1.26 -3.44 135.00 127.06 3cdz n PRO 66 Ca -0.00 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 3cdz n PRO 66 Cb 0.25 -1.15 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 3cdz n PRO 66 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 3cdz n PRO 67 N -4.69 0.00 -0.56 0.52 -0.04 -1.26 -4.71 135.00 124.26 3cdz n PRO 67 Ca 0.03 0.00 0.42 0.00 -0.04 0.00 0.00 63.50 63.91 3cdz n PRO 67 Cb 0.16 0.00 0.65 0.00 -0.04 0.00 0.00 33.50 34.27 3cdz n PRO 67 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3cdz n TRP 68 N 0.00 0.05 -1.70 0.54 4.27 -1.26 -4.31 117.44 115.03 3cdz n TRP 68 Ca 0.00 0.05 -0.43 0.00 -3.89 0.00 0.00 57.50 53.24 3cdz n TRP 68 Cb 0.00 -0.45 -0.03 0.00 -1.36 0.00 0.00 31.31 29.47 3cdz n TRP 68 CO 0.00 0.00 0.00 -1.64 -2.29 0.00 0.00 177.69 173.76 3cdz s MET 69 N -4.52 3.61 0.00 -2.67 -1.94 -1.22 -4.92 119.30 107.63 3cdz s MET 69 Ca -0.04 2.20 0.00 0.00 -1.71 0.00 0.00 55.69 56.13 3cdz s MET 69 Cb 0.22 -4.25 0.00 0.00 2.01 0.00 0.00 34.83 32.81 3cdz s MET 69 CO 0.71 -1.56 0.00 0.41 -0.01 0.00 0.00 175.02 174.57 3cdz n GLY 70 N 5.15 0.50 3.55 -0.03 0.00 -1.26 -4.74 105.19 108.36 3cdz n GLY 70 Ca 0.24 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.87 3cdz n GLY 70 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cdz s LEU 71 N 0.00 3.23 -0.23 0.99 1.02 -1.24 -4.92 118.68 117.53 3cdz s LEU 71 Ca 0.00 -0.28 -0.06 0.00 0.02 0.00 0.00 54.13 53.81 3cdz s LEU 71 Cb 0.00 -2.55 0.11 0.00 0.02 0.00 0.00 46.19 43.77 3cdz s LEU 71 CO 0.00 -2.04 0.46 -0.76 0.02 0.00 0.00 176.35 174.03 3cdz s LEU 72 N 7.00 -0.77 0.45 1.79 1.43 -1.26 -4.81 118.68 122.51 3cdz s LEU 72 Ca 0.48 0.90 -0.25 0.00 -1.03 0.00 0.00 54.13 54.23 3cdz s LEU 72 Cb -0.09 1.50 -0.08 0.00 0.03 0.00 0.00 46.19 47.55 3cdz s LEU 72 CO 0.14 -0.25 1.43 -0.83 0.23 0.00 0.00 176.35 177.07 3cdz s GLY 73 N 2.66 2.92 0.28 -3.19 0.00 -1.18 -4.83 107.32 103.98 3cdz s GLY 73 Ca 0.03 1.47 -0.30 0.00 0.00 0.00 0.00 44.72 45.92 3cdz s GLY 73 CO -0.15 2.08 1.29 -1.05 0.00 0.00 0.00 173.10 175.28 3cdz n PRO 74 N -0.16 1.91 -1.48 2.90 -0.02 -1.26 -3.81 135.00 133.08 3cdz n PRO 74 Ca 0.05 0.68 -0.48 0.00 -2.02 0.00 0.00 63.50 61.72 3cdz n PRO 74 Cb 0.42 -2.25 -0.06 0.00 -0.02 0.00 0.00 33.50 31.58 3cdz n PRO 74 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3cdz n THR 75 N 1.10 0.19 -3.73 3.45 -1.04 -1.26 -4.53 114.28 108.45 3cdz n THR 75 Ca 0.09 -0.32 -0.35 0.00 -2.04 0.00 0.00 64.05 61.42 3cdz n THR 75 Cb 0.33 -1.85 -0.08 0.00 -1.82 0.00 0.00 70.33 66.90 3cdz n THR 75 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 3cdz s ILE 76 N 7.89 5.41 -0.15 12.58 -4.36 -0.83 -4.99 121.20 136.76 3cdz s ILE 76 Ca 1.08 0.21 0.01 0.00 -0.26 0.00 0.00 60.65 61.70 3cdz s ILE 76 Cb -0.73 -3.47 0.02 0.00 1.25 0.00 0.00 42.46 39.52 3cdz s ILE 76 CO 0.45 0.45 -0.19 -1.10 0.24 0.00 0.00 174.94 174.79 3cdz s GLN 77 N 0.25 2.75 0.04 0.37 -0.21 -1.26 0.20 119.66 121.79 3cdz s GLN 77 Ca 0.09 -0.74 0.06 0.00 0.02 0.00 0.00 55.36 54.78 3cdz s GLN 77 Cb -0.11 -2.33 -0.02 0.00 1.00 0.00 0.00 33.01 31.55 3cdz s GLN 77 CO -0.01 -0.13 -0.17 0.00 -2.12 0.00 0.00 175.29 172.87 3cdz s ALA 78 N 1.12 1.39 0.27 6.09 0.00 -0.63 -4.99 121.76 125.01 3cdz s ALA 78 Ca -0.01 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.06 3cdz s ALA 78 Cb -0.14 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 3cdz s ALA 78 CO -0.07 0.29 0.46 -1.83 0.00 0.00 0.00 175.76 174.61 3cdz s GLU 79 N -1.09 3.51 0.09 0.00 -1.05 -1.26 -2.63 118.70 116.26 3cdz s GLU 79 Ca 0.04 -0.37 0.02 0.00 -0.15 0.00 0.00 54.97 54.51 3cdz s GLU 79 Cb -0.08 -2.76 0.25 0.00 -0.44 0.00 0.00 34.13 31.09 3cdz s GLU 79 CO 0.01 0.29 0.44 1.33 0.95 0.00 0.00 175.26 178.28 3cdz n VAL 80 N -1.22 -0.12 0.08 1.83 0.24 0.02 -0.78 118.33 118.39 3cdz n VAL 80 Ca -0.05 0.60 0.11 0.00 -2.04 0.00 0.00 64.34 62.96 3cdz n VAL 80 Cb 0.55 -0.90 0.22 0.00 -1.47 0.00 0.00 33.84 32.24 3cdz n VAL 80 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 3cdz n TYR 81 N -4.06 0.59 -2.63 6.34 4.02 -1.26 -4.12 117.16 116.03 3cdz n TYR 81 Ca 0.07 -0.33 -0.22 0.00 -0.01 0.00 0.00 57.90 57.42 3cdz n TYR 81 Cb 0.24 -0.00 0.11 0.00 -0.02 0.00 0.00 39.34 39.67 3cdz n TYR 81 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3cdz n ASP 82 N 1.36 1.35 -3.42 7.72 9.92 0.04 -4.92 116.55 128.61 3cdz n ASP 82 Ca 0.19 -2.12 -0.16 0.00 -0.53 0.00 0.00 54.79 52.17 3cdz n ASP 82 Cb 0.57 -0.60 -0.10 0.00 -0.64 0.00 0.00 41.12 40.35 3cdz n ASP 82 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 3cdz s THR 83 N -2.89 -0.42 -0.13 -3.53 -4.23 -1.26 -2.90 115.64 100.28 3cdz s THR 83 Ca 0.63 -0.27 -0.09 0.00 -1.18 0.00 0.00 61.69 60.78 3cdz s THR 83 Cb -0.04 -0.84 -0.05 0.00 1.34 0.00 0.00 72.50 72.92 3cdz s THR 83 CO 0.41 -0.30 0.19 -0.69 -0.54 0.00 0.00 174.62 173.69 3cdz s VAL 84 N 2.39 5.40 -0.54 2.29 1.01 -0.18 -2.15 120.40 128.62 3cdz s VAL 84 Ca 0.09 0.33 0.04 0.00 0.00 0.00 0.00 61.98 62.44 3cdz s VAL 84 Cb -0.15 -3.48 0.14 0.00 0.00 0.00 0.00 36.38 32.89 3cdz s VAL 84 CO -0.22 0.55 0.32 -0.69 0.00 0.00 0.00 175.10 175.06 3cdz s VAL 85 N -0.55 2.16 0.14 2.92 1.01 -0.43 -2.15 120.40 123.51 3cdz s VAL 85 Ca 0.15 -3.29 -0.30 0.00 0.00 0.00 0.00 61.98 58.53 3cdz s VAL 85 Cb -0.13 -2.48 -0.07 0.00 0.00 0.00 0.00 36.38 33.71 3cdz s VAL 85 CO 0.04 -0.91 1.16 -0.63 0.00 0.00 0.00 175.10 174.75 3cdz s ILE 86 N -0.38 3.84 -0.27 2.22 1.01 -1.22 -1.94 121.20 124.46 3cdz s ILE 86 Ca 0.20 1.49 0.01 0.00 0.00 0.00 0.00 60.65 62.35 3cdz s ILE 86 Cb -0.18 -3.95 0.08 0.00 0.01 0.00 0.00 42.46 38.42 3cdz s ILE 86 CO -0.06 0.21 0.01 0.42 0.00 0.00 0.00 174.94 175.52 3cdz s THR 87 N 0.20 1.51 -0.20 2.92 -4.23 -1.23 0.87 115.64 115.48 3cdz s THR 87 Ca 0.53 -1.49 -0.23 0.00 -1.18 0.00 0.00 61.69 59.32 3cdz s THR 87 Cb -0.30 -1.94 -0.02 0.00 1.34 0.00 0.00 72.50 71.58 3cdz s THR 87 CO 0.34 -0.35 0.74 -0.22 -0.54 0.00 0.00 174.62 174.59 3cdz s LEU 88 N 1.35 4.13 -0.38 4.79 0.20 0.27 -3.70 118.68 125.35 3cdz s LEU 88 Ca 0.02 0.98 -0.15 0.00 0.69 0.00 0.00 54.13 55.66 3cdz s LEU 88 Cb -0.18 -3.07 0.00 0.00 -0.43 0.00 0.00 46.19 42.51 3cdz s LEU 88 CO -0.11 -0.38 0.36 -0.75 -0.29 0.00 0.00 176.35 175.18 3cdz s LYS 89 N 2.24 3.32 -0.01 1.98 2.20 -1.26 -1.61 119.74 126.61 3cdz s LYS 89 Ca 0.33 -0.64 -0.24 0.00 -0.36 0.00 0.00 55.97 55.06 3cdz s LYS 89 Cb -0.16 -3.88 -0.05 0.00 -1.51 0.00 0.00 37.83 32.23 3cdz s LYS 89 CO 0.10 -0.65 0.71 1.21 -0.36 0.00 0.00 175.35 176.37 3cdz s ASN 90 N 1.75 7.09 -0.29 1.43 3.04 -1.26 -1.74 114.94 124.95 3cdz s ASN 90 Ca 0.10 1.30 -0.02 0.00 0.04 0.00 0.00 52.86 54.28 3cdz s ASN 90 Cb -0.17 -2.43 0.12 0.00 -1.54 0.00 0.00 41.25 37.23 3cdz s ASN 90 CO 0.12 -0.02 0.21 0.00 -3.04 0.00 0.00 177.10 174.37 3cdz s MET 91 N 0.24 0.26 -0.25 0.43 0.23 -0.88 -3.53 119.30 115.80 3cdz s MET 91 Ca 0.37 -0.33 -0.35 0.00 -1.03 0.00 0.00 55.69 54.35 3cdz s MET 91 Cb -0.19 -0.91 0.16 0.00 -1.53 0.00 0.00 34.83 32.36 3cdz s MET 91 CO 0.20 -1.02 1.31 0.00 -2.03 0.00 0.00 175.02 173.48 3cdz s ALA 92 N 2.23 -2.14 -2.00 3.16 0.00 -1.26 -3.12 121.76 118.64 3cdz s ALA 92 Ca 0.09 1.80 0.15 0.00 0.00 0.00 0.00 51.96 54.00 3cdz s ALA 92 Cb -0.15 -0.54 0.88 0.00 0.00 0.00 0.00 23.12 23.32 3cdz s ALA 92 CO -0.35 -0.49 1.37 -1.13 0.00 0.00 0.00 175.76 175.16 3cdz n SER 93 N 0.09 0.00 -4.85 0.00 3.41 -1.26 -4.05 113.62 106.96 3cdz n SER 93 Ca 0.02 -0.93 -0.36 0.00 -0.26 0.00 0.00 58.87 57.34 3cdz n SER 93 Cb 0.57 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.46 3cdz n SER 93 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3cdz s HIS 94 N -2.00 3.51 -0.53 7.33 5.65 -1.26 -4.98 115.29 123.01 3cdz s HIS 94 Ca 0.22 0.44 -0.25 0.00 0.25 0.00 0.00 55.06 55.72 3cdz s HIS 94 Cb 0.10 -1.89 0.04 0.00 -1.18 0.00 0.00 32.58 29.64 3cdz s HIS 94 CO 0.17 0.68 0.99 -1.25 -0.65 0.00 0.00 174.74 174.68 3cdz s PRO 95 N -1.17 3.43 -0.04 2.88 0.04 -1.26 -4.11 135.00 134.77 3cdz s PRO 95 Ca 0.17 -0.03 0.04 0.00 0.04 0.00 0.00 61.00 61.22 3cdz s PRO 95 Cb -0.12 -4.01 -0.00 0.00 0.04 0.00 0.00 34.50 30.41 3cdz s PRO 95 CO 0.06 -1.46 -0.16 0.14 0.04 0.00 0.00 177.00 175.63 3cdz s VAL 96 N 4.12 1.32 0.01 -0.36 -7.23 -1.15 -4.76 120.40 112.34 3cdz s VAL 96 Ca 0.35 -0.66 0.00 0.00 -1.81 0.00 0.00 61.98 59.86 3cdz s VAL 96 Cb -0.11 -1.13 0.00 0.00 0.56 0.00 0.00 36.38 35.70 3cdz s VAL 96 CO 0.23 0.38 0.01 -1.54 -0.31 0.00 0.00 175.10 173.87 3cdz n SER 97 N 3.09 0.02 -3.67 4.85 3.41 -1.26 -3.54 113.62 116.52 3cdz n SER 97 Ca -0.18 -1.01 -0.09 0.00 -0.26 0.00 0.00 58.87 57.33 3cdz n SER 97 Cb 0.53 -0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 64.38 3cdz n SER 97 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3cdz s LEU 98 N 0.00 -0.42 -0.12 1.04 1.98 -1.26 -4.60 118.68 115.30 3cdz s LEU 98 Ca 0.01 1.03 -0.09 0.00 -2.89 0.00 0.00 54.13 52.19 3cdz s LEU 98 Cb -0.00 1.53 0.04 0.00 0.66 0.00 0.00 46.19 48.41 3cdz s LEU 98 CO 0.00 -0.21 0.30 -2.28 -1.89 0.00 0.00 176.35 172.27 3cdz s HIS 99 N 1.86 -0.37 0.57 5.38 2.46 -1.05 -3.94 115.29 120.21 3cdz s HIS 99 Ca -0.07 0.86 0.07 0.00 0.47 0.00 0.00 55.06 56.39 3cdz s HIS 99 Cb -0.09 0.12 0.10 0.00 -0.13 0.00 0.00 32.58 32.57 3cdz s HIS 99 CO -0.14 -0.20 0.79 0.00 -2.47 0.00 0.00 174.74 172.72 3cdz n ALA 100 N 3.46 0.95 -2.48 1.58 0.00 -1.26 -0.36 120.51 122.41 3cdz n ALA 100 Ca -0.18 -1.93 -0.10 0.00 0.00 0.00 0.00 53.44 51.23 3cdz n ALA 100 Cb 0.56 0.49 -0.08 0.00 0.00 0.00 0.00 19.45 20.41 3cdz n ALA 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3cdz s VAL 101 N -2.47 0.05 0.00 0.00 0.11 -1.25 -4.83 120.40 112.01 3cdz s VAL 101 Ca 0.58 -1.69 0.00 0.00 -2.93 0.00 0.00 61.98 57.94 3cdz s VAL 101 Cb -0.04 -2.11 0.00 0.00 -1.53 0.00 0.00 36.38 32.70 3cdz s VAL 101 CO 0.37 -0.24 0.00 0.61 -3.33 0.00 0.00 175.10 172.51 3cdz n GLY 102 N -0.21 0.17 3.24 6.54 0.00 -1.26 -4.82 105.19 108.84 3cdz n GLY 102 Ca -0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.83 3cdz n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cdz s VAL 103 N -1.47 1.19 0.21 1.61 1.01 -1.26 -4.88 120.40 116.81 3cdz s VAL 103 Ca 0.00 -1.88 0.06 0.00 0.00 0.00 0.00 61.98 60.16 3cdz s VAL 103 Cb 0.00 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 3cdz s VAL 103 CO 0.00 -0.61 0.21 -0.94 0.00 0.00 0.00 175.10 173.77 3cdz s SER 104 N -2.81 5.74 0.28 3.32 1.04 -0.98 -5.03 113.70 115.25 3cdz s SER 104 Ca 0.12 -0.11 -0.19 0.00 0.48 0.00 0.00 55.95 56.25 3cdz s SER 104 Cb -0.01 -1.54 0.07 0.00 0.10 0.00 0.00 66.02 64.63 3cdz s SER 104 CO 0.01 0.00 0.92 -0.72 0.98 0.00 0.00 173.24 174.44 3cdz s TYR 105 N -1.94 0.10 0.35 5.02 -0.85 -1.26 -1.83 117.35 116.93 3cdz s TYR 105 Ca 0.33 -0.63 -0.05 0.00 -0.52 0.00 0.00 57.07 56.20 3cdz s TYR 105 Cb -0.09 0.77 -0.05 0.00 0.38 0.00 0.00 41.96 42.97 3cdz s TYR 105 CO 0.25 -1.23 0.63 -1.58 -1.52 0.00 0.00 175.55 172.11 3cdz s TRP 106 N -2.22 3.50 -1.39 -3.49 0.52 -1.26 -4.95 118.94 109.65 3cdz s TRP 106 Ca 0.19 0.69 0.00 0.00 0.02 0.00 0.00 56.10 57.00 3cdz s TRP 106 Cb -0.04 -2.16 0.01 0.00 -1.15 0.00 0.00 33.47 30.13 3cdz s TRP 106 CO 0.08 0.04 0.81 0.36 0.02 0.00 0.00 176.95 178.26 3cdz n LYS 107 N -1.38 0.00 -0.34 4.98 2.85 -1.26 -0.02 118.16 122.99 3cdz n LYS 107 Ca -0.01 0.31 0.04 0.00 -1.05 0.00 0.00 58.31 57.59 3cdz n LYS 107 Cb 0.55 -1.50 0.18 0.00 -0.65 0.00 0.00 35.03 33.60 3cdz n LYS 107 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3cdz n ALA 108 N -1.31 2.92 -2.05 0.58 0.00 -1.26 -4.67 120.51 114.72 3cdz n ALA 108 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.64 3cdz n ALA 108 Cb 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.42 3cdz n ALA 108 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3cdz n SER 109 N 0.37 0.00 0.00 0.00 7.64 0.97 -4.69 113.62 117.91 3cdz n SER 109 Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.01 3cdz n SER 109 Cb 0.56 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.76 3cdz n SER 109 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 3cdz n GLU 110 N 0.00 0.00 -2.19 1.43 2.13 -1.24 -4.48 120.64 116.30 3cdz n GLU 110 Ca 0.00 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.77 3cdz n GLU 110 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 3cdz n GLU 110 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3cdz n GLY 111 N 0.00 0.25 2.77 8.31 0.00 -1.25 -4.16 105.19 111.11 3cdz n GLY 111 Ca 0.00 -0.66 -0.27 0.00 0.00 0.00 0.00 46.02 45.09 3cdz n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cdz s ALA 112 N -2.36 1.04 0.11 4.61 0.00 -1.25 -4.26 121.76 119.65 3cdz s ALA 112 Ca 0.02 -0.63 -0.27 0.00 0.00 0.00 0.00 51.96 51.08 3cdz s ALA 112 Cb -0.01 -1.10 -0.06 0.00 0.00 0.00 0.00 23.12 21.95 3cdz s ALA 112 CO 0.02 -0.98 0.85 -2.00 0.00 0.00 0.00 175.76 173.65 3cdz s GLU 113 N 1.83 4.61 0.00 0.00 -6.30 -1.23 -4.79 118.70 112.82 3cdz s GLU 113 Ca 0.00 1.25 0.00 0.00 -2.50 0.00 0.00 54.97 53.72 3cdz s GLU 113 Cb -0.16 -3.34 0.00 0.00 0.00 0.00 0.00 34.13 30.63 3cdz s GLU 113 CO -0.07 0.34 0.00 2.48 0.02 0.00 0.00 175.26 178.03 3cdz n TYR 114 N 2.42 0.00 -2.41 5.30 0.18 -1.26 -5.04 117.16 116.35 3cdz n TYR 114 Ca -0.02 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.34 3cdz n TYR 114 Cb 0.49 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.45 3cdz n TYR 114 CO 0.00 0.00 0.00 -0.40 -2.08 0.00 0.00 176.86 174.38 3cdz n ASP 115 N 0.00 4.73 -1.47 9.48 5.75 -1.26 -4.71 116.55 129.07 3cdz n ASP 115 Ca 0.00 -2.92 0.00 0.00 -0.01 0.00 0.00 54.79 51.86 3cdz n ASP 115 Cb 0.00 -1.68 0.00 0.00 -1.03 0.00 0.00 41.12 38.41 3cdz n ASP 115 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3cdz n ASP 116 N 7.03 5.08 0.00 -1.12 5.75 -1.26 -4.85 116.55 127.18 3cdz n ASP 116 Ca 0.47 -2.35 0.00 0.00 -0.01 0.00 0.00 54.79 52.90 3cdz n ASP 116 Cb 0.43 -1.06 0.00 0.00 -1.03 0.00 0.00 41.12 39.46 3cdz n ASP 116 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 3cdz n GLN 117 N 1.43 0.00 -0.82 0.11 -0.06 -1.26 -4.86 117.38 111.92 3cdz n GLN 117 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 3cdz n GLN 117 Cb 0.49 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.67 3cdz n GLN 117 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 3cdz n THR 118 N 0.00 0.00 -0.29 1.69 -2.24 -1.26 -4.95 114.28 107.23 3cdz n THR 118 Ca 0.00 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.63 3cdz n THR 118 Cb 0.00 -0.50 0.14 0.00 -2.10 0.00 0.00 70.33 67.87 3cdz n THR 118 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3cdz n SER 119 N 1.41 -2.69 0.10 3.42 3.41 -1.26 -4.67 113.62 113.34 3cdz n SER 119 Ca 0.00 -0.55 -0.09 0.00 -0.26 0.00 0.00 58.87 57.97 3cdz n SER 119 Cb 0.00 -0.50 -0.05 0.00 -0.26 0.00 0.00 64.21 63.40 3cdz n SER 119 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 3cdz h GLN 120 N 0.00 -0.45 0.00 4.33 -0.00 -2.02 -2.37 115.11 114.59 3cdz h GLN 120 Ca -0.20 0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.48 3cdz h GLN 120 Cb 0.66 0.10 0.00 0.00 0.00 0.00 0.00 27.48 28.24 3cdz h GLN 120 CO 0.12 -0.30 0.00 0.54 0.00 0.00 0.00 178.83 179.19 3cdz n ARG 121 N -4.05 0.16 0.04 1.69 1.74 -1.26 -2.50 116.66 112.47 3cdz n ARG 121 Ca -0.05 0.41 0.13 0.00 -0.77 0.00 0.00 57.85 57.57 3cdz n ARG 121 Cb 0.24 -1.81 0.42 0.00 -1.02 0.00 0.00 32.46 30.28 3cdz n ARG 121 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3cdz n GLU 122 N -2.11 0.12 -0.00 5.56 1.02 -0.90 -3.63 120.64 120.70 3cdz n GLU 122 Ca 0.02 0.07 0.06 0.00 -0.02 0.00 0.00 57.16 57.30 3cdz n GLU 122 Cb 0.20 -1.62 -0.13 0.00 -0.02 0.00 0.00 31.44 29.88 3cdz n GLU 122 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3cdz n LYS 123 N -1.81 0.65 0.15 3.49 5.02 -1.04 -4.44 118.16 120.18 3cdz n LYS 123 Ca 0.06 -0.06 0.11 0.00 -2.02 0.00 0.00 58.31 56.39 3cdz n LYS 123 Cb 0.38 -1.61 0.55 0.00 -0.02 0.00 0.00 35.03 34.34 3cdz n LYS 123 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3cdz n GLU 124 N -2.49 0.14 0.14 1.97 1.02 -1.24 -0.25 120.64 119.93 3cdz n GLU 124 Ca -0.09 0.60 0.01 0.00 -0.02 0.00 0.00 57.16 57.66 3cdz n GLU 124 Cb 0.70 -1.93 0.11 0.00 -0.02 0.00 0.00 31.44 30.30 3cdz n GLU 124 CO 0.00 0.00 0.00 0.38 1.18 0.00 0.00 177.13 178.69 3cdz h ASP 125 N 0.00 0.00 0.48 1.62 3.04 -1.79 -3.36 116.42 116.41 3cdz h ASP 125 Ca 0.00 0.00 -0.07 0.00 -3.24 0.00 0.00 57.03 53.72 3cdz h ASP 125 Cb 0.06 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.34 3cdz h ASP 125 CO 0.00 0.57 -0.33 0.44 -2.04 0.00 0.00 179.24 177.88 3cdz h ASP 126 N 0.00 0.00 -2.14 4.15 3.45 -0.88 -3.36 116.42 117.64 3cdz h ASP 126 Ca -0.01 0.00 -0.14 0.00 0.43 0.00 0.00 57.03 57.31 3cdz h ASP 126 Cb 1.28 0.00 -0.29 0.00 -0.56 0.00 0.00 39.33 39.76 3cdz h ASP 126 CO 0.07 0.33 -0.46 -0.54 -1.57 0.00 0.00 179.24 177.08 3cdz s LYS 127 N -4.05 0.32 -0.75 3.56 1.02 -1.26 -3.48 119.74 115.11 3cdz s LYS 127 Ca -0.02 0.67 -0.24 0.00 0.02 0.00 0.00 55.97 56.40 3cdz s LYS 127 Cb 0.13 -0.25 0.06 0.00 -0.52 0.00 0.00 37.83 37.25 3cdz s LYS 127 CO 0.69 -0.51 1.15 0.08 -0.92 0.00 0.00 175.35 175.84 3cdz s VAL 128 N 2.55 4.08 0.44 3.17 1.01 -1.23 -4.90 120.40 125.51 3cdz s VAL 128 Ca 0.08 -0.21 -0.22 0.00 0.00 0.00 0.00 61.98 61.63 3cdz s VAL 128 Cb -0.14 -4.83 -0.12 0.00 0.00 0.00 0.00 36.38 31.29 3cdz s VAL 128 CO -0.14 -1.67 0.61 0.49 0.00 0.00 0.00 175.10 174.39 3cdz n PHE 129 N 8.39 -0.27 -1.67 5.22 0.99 -1.26 -2.93 117.46 125.93 3cdz n PHE 129 Ca 0.05 0.58 -0.47 0.00 -0.00 0.00 0.00 57.45 57.61 3cdz n PHE 129 Cb 0.48 -2.02 -0.04 0.00 -1.00 0.00 0.00 39.48 36.89 3cdz n PHE 129 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 3cdz n PRO 130 N 0.44 2.30 -2.82 -1.08 -0.04 -1.26 -1.06 135.00 131.48 3cdz n PRO 130 Ca 0.11 0.83 -0.07 0.00 -0.04 0.00 0.00 63.50 64.33 3cdz n PRO 130 Cb 0.40 -2.75 0.02 0.00 -0.04 0.00 0.00 33.50 31.14 3cdz n PRO 130 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3cdz n GLY 131 N 4.57 0.49 0.00 0.55 0.00 -1.24 -4.96 105.19 104.60 3cdz n GLY 131 Ca 0.23 -0.40 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3cdz n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cdz n GLY 132 N -0.96 0.98 0.00 -0.02 0.00 -0.22 -4.87 105.19 100.10 3cdz n GLY 132 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3cdz n GLY 132 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3cdz n SER 133 N 0.00 0.00 -3.61 1.61 2.88 -1.26 -4.41 113.62 108.83 3cdz n SER 133 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 3cdz n SER 133 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 3cdz n SER 133 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 3cdz s HIS 134 N 0.00 -0.61 0.56 0.66 5.04 -0.63 -5.01 115.29 115.30 3cdz s HIS 134 Ca 0.00 1.27 -0.08 0.00 -1.54 0.00 0.00 55.06 54.70 3cdz s HIS 134 Cb 0.00 0.29 -0.03 0.00 0.04 0.00 0.00 32.58 32.88 3cdz s HIS 134 CO 0.00 -0.46 0.93 0.99 -2.34 0.00 0.00 174.74 173.85 3cdz s THR 135 N -0.54 4.70 -0.05 0.89 2.01 -1.26 -0.56 115.64 120.83 3cdz s THR 135 Ca -0.07 0.54 -0.00 0.00 0.31 0.00 0.00 61.69 62.48 3cdz s THR 135 Cb -0.03 -3.84 0.03 0.00 0.01 0.00 0.00 72.50 68.67 3cdz s THR 135 CO 0.05 -0.98 0.00 -0.31 -0.69 0.00 0.00 174.62 172.70 3cdz s TYR 136 N -3.00 0.45 -0.52 4.92 1.51 0.25 -4.88 117.35 116.09 3cdz s TYR 136 Ca 0.52 -0.05 -0.16 0.00 -1.01 0.00 0.00 57.07 56.37 3cdz s TYR 136 Cb -0.11 -0.58 0.11 0.00 -0.11 0.00 0.00 41.96 41.27 3cdz s TYR 136 CO 0.50 -0.21 0.48 0.14 -1.11 0.00 0.00 175.55 175.35 3cdz s VAL 137 N 1.45 5.18 -0.10 0.71 -7.23 -1.26 -3.44 120.40 115.72 3cdz s VAL 137 Ca -0.03 -1.28 0.03 0.00 -1.81 0.00 0.00 61.98 58.89 3cdz s VAL 137 Cb -0.13 -4.27 0.00 0.00 0.56 0.00 0.00 36.38 32.54 3cdz s VAL 137 CO -0.03 -0.78 -0.21 0.26 -0.31 0.00 0.00 175.10 174.03 3cdz s TRP 138 N 1.72 2.34 -0.02 2.82 0.52 -0.91 -4.46 118.94 120.94 3cdz s TRP 138 Ca 0.04 -0.97 0.05 0.00 0.02 0.00 0.00 56.10 55.24 3cdz s TRP 138 Cb -0.27 -1.59 -0.01 0.00 -1.15 0.00 0.00 33.47 30.45 3cdz s TRP 138 CO 0.05 -0.41 -0.17 -0.65 0.02 0.00 0.00 176.95 175.79 3cdz s GLN 139 N 0.46 1.47 -0.26 4.98 -0.21 -0.76 -1.01 119.66 124.33 3cdz s GLN 139 Ca -0.17 -0.59 -0.08 0.00 0.02 0.00 0.00 55.36 54.55 3cdz s GLN 139 Cb -0.17 -1.37 -0.03 0.00 1.00 0.00 0.00 33.01 32.44 3cdz s GLN 139 CO 0.07 0.32 0.08 0.14 -2.12 0.00 0.00 175.29 173.78 3cdz s VAL 140 N -0.24 4.38 0.63 1.09 -7.23 -1.14 -2.31 120.40 115.58 3cdz s VAL 140 Ca 0.03 -0.19 0.01 0.00 -1.81 0.00 0.00 61.98 60.02 3cdz s VAL 140 Cb -0.08 -3.07 0.12 0.00 0.56 0.00 0.00 36.38 33.91 3cdz s VAL 140 CO 0.00 0.30 0.87 0.18 -0.31 0.00 0.00 175.10 176.14 3cdz n LEU 141 N 4.94 0.00 -0.24 1.32 4.77 -1.26 -4.25 117.00 122.28 3cdz n LEU 141 Ca -0.16 -1.92 -0.06 0.00 -0.03 0.00 0.00 56.01 53.84 3cdz n LEU 141 Cb 0.51 -0.55 0.04 0.00 -2.33 0.00 0.00 43.42 41.09 3cdz n LEU 141 CO 0.31 -0.90 1.04 0.50 -1.33 0.00 0.00 177.39 177.01 3cdz h LYS 142 N 0.00 0.96 0.00 3.23 1.63 -1.97 -3.02 116.57 117.40 3cdz h LYS 142 Ca -0.29 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.37 3cdz h LYS 142 Cb 1.09 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.55 3cdz h LYS 142 CO 0.32 0.77 0.00 0.39 -3.45 0.00 0.00 179.45 177.48 3cdz n GLU 143 N -4.46 0.06 -0.04 1.90 1.02 -1.26 -2.01 120.64 115.84 3cdz n GLU 143 Ca 0.05 0.50 0.02 0.00 -0.02 0.00 0.00 57.16 57.70 3cdz n GLU 143 Cb 0.13 -1.67 0.02 0.00 -0.02 0.00 0.00 31.44 29.90 3cdz n GLU 143 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 3cdz n ASN 144 N -1.80 1.52 -4.55 1.62 2.04 -1.15 -5.03 115.26 107.91 3cdz n ASN 144 Ca 0.00 -1.98 -0.29 0.00 -0.44 0.00 0.00 54.58 51.87 3cdz n ASN 144 Cb 0.06 -0.09 0.14 0.00 -2.53 0.00 0.00 39.78 37.36 3cdz n ASN 144 CO 0.00 0.00 0.00 -0.83 -0.44 0.00 0.00 177.26 175.99 3cdz s GLY 145 N -1.12 1.66 0.18 4.83 0.00 -0.85 -4.88 107.32 107.14 3cdz s GLY 145 Ca 0.06 -0.85 -0.17 0.00 0.00 0.00 0.00 44.72 43.76 3cdz s GLY 145 CO 0.01 -0.23 0.64 2.56 0.00 0.00 0.00 173.10 176.07 3cdz s PRO 146 N -5.64 4.11 0.51 2.90 0.04 -1.26 -5.01 135.00 130.65 3cdz s PRO 146 Ca 0.67 0.68 -0.22 0.00 0.04 0.00 0.00 61.00 62.17 3cdz s PRO 146 Cb -0.09 -2.90 -0.06 0.00 0.04 0.00 0.00 34.50 31.49 3cdz s PRO 146 CO 0.51 0.44 1.24 -1.64 0.04 0.00 0.00 177.00 177.59 3cdz s MET 147 N -1.97 3.43 0.00 4.56 -1.94 -1.26 -4.88 119.30 117.23 3cdz s MET 147 Ca 0.40 1.95 -0.00 0.00 -1.71 0.00 0.00 55.69 56.33 3cdz s MET 147 Cb -0.16 -2.29 -0.00 0.00 2.01 0.00 0.00 34.83 34.39 3cdz s MET 147 CO 0.20 -0.87 0.00 0.00 -0.01 0.00 0.00 175.02 174.34 3cdz n ALA 148 N -0.83 -0.00 -3.91 3.03 0.00 -1.26 -3.35 120.51 114.18 3cdz n ALA 148 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.23 3cdz n ALA 148 Cb 0.47 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.77 3cdz n ALA 148 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3cdz s SER 149 N -3.91 4.34 0.05 0.00 1.04 -1.26 -5.04 113.70 108.91 3cdz s SER 149 Ca -0.00 -1.77 -0.23 0.00 0.48 0.00 0.00 55.95 54.42 3cdz s SER 149 Cb 0.00 -1.29 0.08 0.00 0.10 0.00 0.00 66.02 64.91 3cdz s SER 149 CO 0.00 -0.36 1.07 -0.90 0.98 0.00 0.00 173.24 174.03 3cdz n ASP 150 N 4.53 -1.25 -0.27 7.02 5.75 -1.21 -5.07 116.55 126.05 3cdz n ASP 150 Ca -0.02 -1.43 -0.04 0.00 -0.01 0.00 0.00 54.79 53.29 3cdz n ASP 150 Cb 0.42 1.97 -0.01 0.00 -1.03 0.00 0.00 41.12 42.48 3cdz n ASP 150 CO 0.00 0.00 0.00 -2.65 -0.11 0.00 0.00 177.20 174.44 3cdz n PRO 151 N -0.76 0.00 -0.38 0.11 -0.02 -1.26 -4.73 135.00 127.95 3cdz n PRO 151 Ca 0.02 0.00 0.35 0.00 -2.02 0.00 0.00 63.50 61.85 3cdz n PRO 151 Cb 0.52 -0.09 0.70 0.00 -0.02 0.00 0.00 33.50 34.61 3cdz n PRO 151 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3cdz h LEU 152 N 0.37 0.12 -7.14 2.45 7.12 -1.98 -3.38 115.31 112.86 3cdz h LEU 152 Ca -0.02 0.03 -0.15 0.00 0.13 0.00 0.00 57.88 57.87 3cdz h LEU 152 Cb 0.08 0.02 -0.30 0.00 -0.53 0.00 0.00 40.66 39.93 3cdz h LEU 152 CO 0.06 -0.00 -0.44 0.00 -0.13 0.00 0.00 178.44 177.93 3cdz s LEU 154 N 2.53 4.61 -0.25 0.00 1.43 -0.56 -4.92 118.68 121.52 3cdz s LEU 154 Ca -0.00 1.99 -0.29 0.00 -1.03 0.00 0.00 54.13 54.80 3cdz s LEU 154 Cb -0.12 -3.61 -0.02 0.00 0.03 0.00 0.00 46.19 42.47 3cdz s LEU 154 CO -0.11 0.07 1.49 0.42 0.23 0.00 0.00 176.35 178.44 3cdz s THR 155 N -0.99 3.87 -0.00 5.49 -4.23 -1.26 -3.42 115.64 115.11 3cdz s THR 155 Ca 0.43 0.99 -0.10 0.00 -1.18 0.00 0.00 61.69 61.82 3cdz s THR 155 Cb -0.27 -3.89 0.01 0.00 1.34 0.00 0.00 72.50 69.69 3cdz s THR 155 CO 0.33 -0.37 0.20 -0.31 -0.54 0.00 0.00 174.62 173.94 3cdz s TYR 156 N 4.86 -0.04 0.37 3.99 4.12 -1.05 -4.83 117.35 124.78 3cdz s TYR 156 Ca 0.65 0.02 0.08 0.00 0.02 0.00 0.00 57.07 57.84 3cdz s TYR 156 Cb -0.22 0.01 -0.06 0.00 -1.52 0.00 0.00 41.96 40.18 3cdz s TYR 156 CO 0.27 -0.32 0.08 -1.54 0.02 0.00 0.00 175.55 174.05 3cdz s SER 157 N -1.35 4.25 -0.20 2.29 1.04 -1.26 0.60 113.70 119.07 3cdz s SER 157 Ca -0.14 -1.06 0.01 0.00 0.48 0.00 0.00 55.95 55.24 3cdz s SER 157 Cb -0.07 -0.51 0.03 0.00 0.10 0.00 0.00 66.02 65.58 3cdz s SER 157 CO 0.03 -0.38 -0.15 -0.72 0.98 0.00 0.00 173.24 173.00 3cdz s TYR 158 N -2.57 2.69 0.16 5.02 -0.85 0.48 -3.79 117.35 118.49 3cdz s TYR 158 Ca 0.37 -1.70 -0.01 0.00 -0.52 0.00 0.00 57.07 55.22 3cdz s TYR 158 Cb 0.03 -1.80 0.03 0.00 0.38 0.00 0.00 41.96 40.60 3cdz s TYR 158 CO 0.20 -0.78 0.22 -0.11 -1.52 0.00 0.00 175.55 173.56 3cdz n LEU 159 N 4.62 0.00 -3.67 -3.49 7.94 0.52 -2.63 117.00 120.30 3cdz n LEU 159 Ca -0.17 -0.40 -0.16 0.00 -1.11 0.00 0.00 56.01 54.17 3cdz n LEU 159 Cb 0.48 -0.15 -0.15 0.00 0.53 0.00 0.00 43.42 44.13 3cdz n LEU 159 CO 0.23 -0.62 -0.20 -0.55 -1.11 0.00 0.00 177.39 175.14 3cdz s SER 160 N -1.86 0.61 -0.22 1.96 0.15 -1.26 -2.53 113.70 110.53 3cdz s SER 160 Ca 0.14 0.43 -0.03 0.00 0.70 0.00 0.00 55.95 57.18 3cdz s SER 160 Cb -0.01 0.43 0.07 0.00 -1.71 0.00 0.00 66.02 64.80 3cdz s SER 160 CO 0.09 -0.24 0.07 -1.38 1.20 0.00 0.00 173.24 172.99 3cdz s HIS 161 N 2.33 0.81 0.01 3.44 -0.00 -1.26 -4.52 115.29 116.11 3cdz s HIS 161 Ca 0.02 -0.88 -0.04 0.00 -0.00 0.00 0.00 55.06 54.17 3cdz s HIS 161 Cb -0.12 -1.03 -0.01 0.00 -0.00 0.00 0.00 32.58 31.41 3cdz s HIS 161 CO -0.07 -0.67 -0.08 0.28 -0.00 0.00 0.00 174.74 174.20 3cdz n VAL 162 N 5.11 0.97 -3.66 -5.38 0.31 -1.26 -4.33 118.33 110.09 3cdz n VAL 162 Ca -0.07 0.28 -0.38 0.00 -0.01 0.00 0.00 64.34 64.16 3cdz n VAL 162 Cb 0.46 -1.65 -0.09 0.00 -0.91 0.00 0.00 33.84 31.64 3cdz n VAL 162 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3cdz s ASP 163 N -5.63 5.50 0.22 4.52 3.68 -1.26 -4.92 116.67 118.78 3cdz s ASP 163 Ca -0.07 -2.46 -0.15 0.00 2.13 0.00 0.00 52.55 52.01 3cdz s ASP 163 Cb 0.01 -1.92 0.24 0.00 -1.45 0.00 0.00 42.92 39.80 3cdz s ASP 163 CO 0.10 -0.50 1.60 0.25 0.13 0.00 0.00 175.17 176.75 3cdz h LEU 164 N 7.64 -0.82 -0.31 -1.34 6.46 -1.89 0.10 115.31 125.16 3cdz h LEU 164 Ca -0.07 0.22 0.04 0.00 -0.12 0.00 0.00 57.88 57.95 3cdz h LEU 164 Cb 1.01 0.49 -0.04 0.00 -0.73 0.00 0.00 40.66 41.39 3cdz h LEU 164 CO 0.75 -0.26 0.10 0.58 -0.62 0.00 0.00 178.44 178.98 3cdz h VAL 165 N -0.04 0.90 0.43 1.05 2.07 -1.95 -2.89 116.25 115.82 3cdz h VAL 165 Ca 0.32 -0.08 -0.02 0.00 0.82 0.00 0.00 66.70 67.74 3cdz h VAL 165 Cb 0.54 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3cdz h VAL 165 CO -0.73 0.04 -0.21 0.50 0.02 0.00 0.00 177.57 177.19 3cdz h LYS 166 N 0.23 -0.56 -0.93 1.57 3.64 -1.39 -2.50 116.57 116.62 3cdz h LYS 166 Ca 0.14 0.04 0.27 0.00 -1.27 0.00 0.00 60.65 59.83 3cdz h LYS 166 Cb 0.12 0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.03 3cdz h LYS 166 CO -0.15 -0.27 0.77 -0.44 -2.27 0.00 0.00 179.45 177.08 3cdz h ASP 167 N -1.04 0.00 0.00 4.20 3.32 -0.90 -2.00 116.42 120.00 3cdz h ASP 167 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3cdz h ASP 167 Cb 0.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.10 3cdz h ASP 167 CO 0.10 0.00 0.00 -0.11 -1.72 0.00 0.00 179.24 177.51 3cdz n LEU 168 N -3.94 0.76 -0.33 1.55 0.00 -1.09 -2.59 117.00 111.34 3cdz n LEU 168 Ca 0.20 0.15 0.29 0.00 0.00 0.00 0.00 56.01 56.64 3cdz n LEU 168 Cb 1.08 -0.27 0.54 0.00 0.00 0.00 0.00 43.42 44.78 3cdz n LEU 168 CO 0.35 -0.27 1.09 0.78 0.00 0.00 0.00 177.39 179.34 3cdz h ASN 169 N 0.00 0.41 -0.49 1.96 -0.26 -1.40 1.15 115.58 116.94 3cdz h ASN 169 Ca 0.00 0.22 0.06 0.00 -0.56 0.00 0.00 56.30 56.02 3cdz h ASN 169 Cb 0.00 0.20 -0.09 0.00 -1.06 0.00 0.00 38.32 37.38 3cdz h ASN 169 CO 0.00 -0.29 -0.55 -1.28 -1.06 0.00 0.00 177.43 174.25 3cdz h SER 170 N 0.15 -1.86 0.00 5.81 0.87 -1.56 -3.41 113.55 113.55 3cdz h SER 170 Ca 0.80 0.25 0.00 0.00 -1.23 0.00 0.00 61.79 61.61 3cdz h SER 170 Cb 2.00 0.78 0.00 0.00 -0.44 0.00 0.00 62.40 64.74 3cdz h SER 170 CO -0.68 -0.38 0.00 0.61 -0.53 0.00 0.00 176.83 175.85 3cdz n GLY 171 N -1.37 0.00 3.38 5.77 0.00 0.39 -3.49 105.19 109.88 3cdz n GLY 171 Ca -0.02 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.55 3cdz n GLY 171 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cdz s LEU 172 N 0.00 5.52 -0.28 0.99 1.43 -1.07 -4.19 118.68 121.08 3cdz s LEU 172 Ca 0.00 -1.34 -0.22 0.00 -1.03 0.00 0.00 54.13 51.54 3cdz s LEU 172 Cb 0.00 -2.29 0.10 0.00 0.03 0.00 0.00 46.19 44.04 3cdz s LEU 172 CO 0.00 -0.87 0.88 -0.51 0.23 0.00 0.00 176.35 176.07 3cdz s ILE 173 N 2.15 0.00 0.17 -0.59 1.10 -1.26 -4.27 121.20 118.50 3cdz s ILE 173 Ca 0.09 0.00 0.01 0.00 -0.51 0.00 0.00 60.65 60.23 3cdz s ILE 173 Cb -0.24 -1.00 -0.04 0.00 0.15 0.00 0.00 42.46 41.32 3cdz s ILE 173 CO 0.07 0.00 0.04 -0.83 -2.11 0.00 0.00 174.94 172.11 3cdz s GLY 174 N 0.71 1.24 0.10 1.50 0.00 -1.08 -3.12 107.32 106.66 3cdz s GLY 174 Ca -0.02 -1.60 -0.12 0.00 0.00 0.00 0.00 44.72 42.97 3cdz s GLY 174 CO -0.08 -1.48 0.46 0.00 0.00 0.00 0.00 173.10 172.00 3cdz s ALA 175 N -3.83 3.66 -0.15 3.20 0.00 -1.25 -0.39 121.76 123.01 3cdz s ALA 175 Ca 0.27 -0.26 -0.04 0.00 0.00 0.00 0.00 51.96 51.93 3cdz s ALA 175 Cb 0.07 -2.39 0.05 0.00 0.00 0.00 0.00 23.12 20.85 3cdz s ALA 175 CO 0.05 0.51 0.08 -1.17 0.00 0.00 0.00 175.76 175.23 3cdz s LEU 176 N -1.82 0.35 0.08 0.00 2.96 0.20 -1.97 118.68 118.49 3cdz s LEU 176 Ca 0.34 -0.49 0.05 0.00 -0.22 0.00 0.00 54.13 53.81 3cdz s LEU 176 Cb -0.15 -0.24 -0.04 0.00 0.50 0.00 0.00 46.19 46.26 3cdz s LEU 176 CO 0.18 -0.33 -0.03 -0.76 -1.32 0.00 0.00 176.35 174.10 3cdz s LEU 177 N 2.13 3.36 -0.09 -0.68 1.43 0.13 -2.53 118.68 122.43 3cdz s LEU 177 Ca 0.02 -0.21 -0.05 0.00 -1.03 0.00 0.00 54.13 52.86 3cdz s LEU 177 Cb -0.15 -2.09 0.04 0.00 0.03 0.00 0.00 46.19 44.02 3cdz s LEU 177 CO -0.08 0.19 0.21 0.54 0.23 0.00 0.00 176.35 177.44 3cdz s VAL 178 N -1.26 -0.04 0.21 -1.59 0.11 -1.22 -1.60 120.40 115.01 3cdz s VAL 178 Ca 0.24 0.14 -0.23 0.00 -2.93 0.00 0.00 61.98 59.20 3cdz s VAL 178 Cb -0.12 -0.33 0.05 0.00 -1.53 0.00 0.00 36.38 34.46 3cdz s VAL 178 CO 0.16 0.06 0.90 0.00 -3.33 0.00 0.00 175.10 172.89 3cdz n ARG 180 N -0.51 -1.13 -1.46 0.00 1.74 -1.26 -0.80 116.66 113.24 3cdz n ARG 180 Ca -0.05 -0.30 -0.11 0.00 -0.77 0.00 0.00 57.85 56.61 3cdz n ARG 180 Cb 0.60 -1.83 -0.09 0.00 -1.02 0.00 0.00 32.46 30.12 3cdz n ARG 180 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 3cdz n GLU 181 N -2.27 0.11 0.00 5.56 1.02 -1.26 -4.31 120.64 119.49 3cdz n GLU 181 Ca 0.04 -1.24 0.00 0.00 -0.02 0.00 0.00 57.16 55.93 3cdz n GLU 181 Cb 0.58 -3.27 0.00 0.00 -0.02 0.00 0.00 31.44 28.73 3cdz n GLU 181 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3cdz n GLY 182 N 5.86 -1.03 0.60 0.62 0.00 -1.26 -4.96 105.19 105.01 3cdz n GLY 182 Ca 0.34 0.42 -0.00 0.00 0.00 0.00 0.00 46.02 46.78 3cdz n GLY 182 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3cdz n SER 183 N 0.00 0.01 0.30 1.61 7.64 -1.26 -3.84 113.62 118.09 3cdz n SER 183 Ca 0.00 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.89 3cdz n SER 183 Cb 0.00 -0.20 0.01 0.00 -1.01 0.00 0.00 64.21 63.00 3cdz n SER 183 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3cdz n LEU 184 N -2.51 0.00 0.00 -3.43 7.94 -1.26 0.42 117.00 118.16 3cdz n LEU 184 Ca -0.00 0.48 0.00 0.00 -1.11 0.00 0.00 56.01 55.38 3cdz n LEU 184 Cb 0.00 -0.01 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3cdz n LEU 184 CO 0.00 -0.48 -0.48 0.00 -1.11 0.00 0.00 177.39 175.33 3cdz n ALA 185 N -1.46 1.98 -0.57 1.96 0.00 -1.26 -4.34 120.51 116.82 3cdz n ALA 185 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 3cdz n ALA 185 Cb 0.95 0.35 0.18 0.00 0.00 0.00 0.00 19.45 20.93 3cdz n ALA 185 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3cdz n LYS 186 N -2.18 2.75 0.00 0.00 3.00 -1.02 -3.79 118.16 116.91 3cdz n LYS 186 Ca 0.00 -2.35 0.00 0.00 -0.00 0.00 0.00 58.31 55.96 3cdz n LYS 186 Cb 0.48 -1.49 0.00 0.00 0.00 0.00 0.00 35.03 34.02 3cdz n LYS 186 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 3cdz n GLU 187 N -0.21 -0.60 0.20 1.64 -0.58 0.17 -3.29 120.64 117.97 3cdz n GLU 187 Ca 0.14 -0.35 0.09 0.00 -0.42 0.00 0.00 57.16 56.63 3cdz n GLU 187 Cb 0.61 -0.84 0.13 0.00 -0.57 0.00 0.00 31.44 30.77 3cdz n GLU 187 CO 0.00 0.00 0.00 1.57 -0.48 0.00 0.00 177.13 178.22 3cdz h LYS 188 N 0.00 0.00 0.00 3.49 2.10 -1.68 -3.36 116.57 117.11 3cdz h LYS 188 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3cdz h LYS 188 Cb 0.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.47 3cdz h LYS 188 CO 0.00 0.15 -0.89 -2.37 -2.00 0.00 0.00 179.45 174.34 3cdz n THR 189 N -3.14 0.00 -3.73 0.07 5.66 -1.25 -5.05 114.28 106.84 3cdz n THR 189 Ca 0.03 -0.09 -0.27 0.00 -3.05 0.00 0.00 64.05 60.67 3cdz n THR 189 Cb 0.59 0.56 -0.03 0.00 -1.55 0.00 0.00 70.33 69.90 3cdz n THR 189 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 3cdz s GLN 190 N -1.92 3.50 -0.18 1.09 2.00 -1.21 -5.07 119.66 117.88 3cdz s GLN 190 Ca -0.00 -0.40 -0.05 0.00 -2.00 0.00 0.00 55.36 52.90 3cdz s GLN 190 Cb 0.01 -2.85 -0.03 0.00 0.80 0.00 0.00 33.01 30.93 3cdz s GLN 190 CO 0.04 0.41 0.01 -0.08 -0.50 0.00 0.00 175.29 175.17 3cdz s THR 191 N -1.88 4.22 -0.06 -0.34 -1.32 -1.26 -4.66 115.64 110.34 3cdz s THR 191 Ca 0.38 -0.23 -0.03 0.00 -1.21 0.00 0.00 61.69 60.59 3cdz s THR 191 Cb -0.11 -2.89 0.03 0.00 -1.51 0.00 0.00 72.50 68.03 3cdz s THR 191 CO 0.29 0.46 0.15 -0.76 -2.21 0.00 0.00 174.62 172.55 3cdz s LEU 192 N 0.58 0.87 -0.64 9.08 1.43 -1.26 -5.11 118.68 123.64 3cdz s LEU 192 Ca -0.00 0.30 -0.14 0.00 -1.03 0.00 0.00 54.13 53.26 3cdz s LEU 192 Cb -0.14 0.40 0.16 0.00 0.03 0.00 0.00 46.19 46.65 3cdz s LEU 192 CO 0.02 -0.13 0.57 -1.00 0.23 0.00 0.00 176.35 176.05 3cdz s HIS 193 N 0.94 3.45 -0.02 0.29 3.76 -1.26 -5.04 115.29 117.40 3cdz s HIS 193 Ca -0.07 -1.65 0.03 0.00 -0.15 0.00 0.00 55.06 53.22 3cdz s HIS 193 Cb -0.09 -3.75 0.00 0.00 1.11 0.00 0.00 32.58 29.85 3cdz s HIS 193 CO -0.05 -1.00 -0.09 -1.59 -0.85 0.00 0.00 174.74 171.16 3cdz s LYS 194 N 1.02 0.91 0.25 1.40 -2.85 -1.25 -0.20 119.74 119.02 3cdz s LYS 194 Ca 0.09 -0.31 0.05 0.00 -1.00 0.00 0.00 55.97 54.80 3cdz s LYS 194 Cb -0.22 -0.86 -0.05 0.00 -2.06 0.00 0.00 37.83 34.63 3cdz s LYS 194 CO -0.02 0.13 -0.04 -0.06 0.10 0.00 0.00 175.35 175.47 3cdz s PHE 195 N 0.11 1.74 -0.27 1.78 0.08 -0.73 -5.01 117.98 115.69 3cdz s PHE 195 Ca -0.02 -0.80 -0.02 0.00 0.12 0.00 0.00 56.93 56.21 3cdz s PHE 195 Cb -0.07 -0.99 0.03 0.00 -0.57 0.00 0.00 43.02 41.41 3cdz s PHE 195 CO 0.00 0.13 -0.03 -1.50 -0.10 0.00 0.00 175.22 173.72 3cdz s ILE 196 N -3.21 2.97 -0.25 0.64 -1.16 -1.26 -1.56 121.20 117.37 3cdz s ILE 196 Ca 0.28 -1.13 -0.11 0.00 -0.51 0.00 0.00 60.65 59.19 3cdz s ILE 196 Cb 0.04 -2.58 -0.05 0.00 0.61 0.00 0.00 42.46 40.49 3cdz s ILE 196 CO 0.10 0.09 0.18 -0.76 -2.81 0.00 0.00 174.94 171.74 3cdz s LEU 197 N 1.31 4.09 -0.91 8.50 1.02 -1.01 -4.84 118.68 126.84 3cdz s LEU 197 Ca -0.02 0.09 -0.07 0.00 0.02 0.00 0.00 54.13 54.16 3cdz s LEU 197 Cb -0.18 -2.13 0.23 0.00 0.02 0.00 0.00 46.19 44.14 3cdz s LEU 197 CO -0.03 0.02 0.83 -0.22 0.02 0.00 0.00 176.35 176.97 3cdz s LEU 198 N 1.30 5.99 -0.88 1.79 0.20 -1.26 -2.23 118.68 123.58 3cdz s LEU 198 Ca 0.08 -3.35 -0.25 0.00 0.69 0.00 0.00 54.13 51.30 3cdz s LEU 198 Cb -0.14 -2.05 -0.04 0.00 -0.43 0.00 0.00 46.19 43.53 3cdz s LEU 198 CO 0.07 -0.32 1.90 -0.36 -0.29 0.00 0.00 176.35 177.35 3cdz s PHE 199 N -0.83 1.85 0.04 5.38 0.40 -0.80 -1.53 117.98 122.48 3cdz s PHE 199 Ca 0.25 0.54 0.04 0.00 -0.60 0.00 0.00 56.93 57.16 3cdz s PHE 199 Cb -0.11 -4.10 -0.02 0.00 0.51 0.00 0.00 43.02 39.30 3cdz s PHE 199 CO -0.09 -1.81 -0.13 0.00 0.70 0.00 0.00 175.22 173.89 3cdz s ALA 200 N 9.60 1.04 -0.51 5.36 0.00 -1.26 -2.28 121.76 133.70 3cdz s ALA 200 Ca 0.68 -0.80 0.07 0.00 0.00 0.00 0.00 51.96 51.91 3cdz s ALA 200 Cb -0.07 -0.13 0.35 0.00 0.00 0.00 0.00 23.12 23.27 3cdz s ALA 200 CO 0.01 0.17 0.89 0.28 0.00 0.00 0.00 175.76 177.10 3cdz n VAL 201 N 1.82 2.09 -1.96 0.00 0.31 -1.26 -2.27 118.33 117.07 3cdz n VAL 201 Ca -0.19 -5.26 -0.41 0.00 -0.01 0.00 0.00 64.34 58.47 3cdz n VAL 201 Cb 0.55 -1.04 -0.02 0.00 -0.91 0.00 0.00 33.84 32.42 3cdz n VAL 201 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3cdz s PHE 202 N -3.17 2.92 -0.42 3.52 0.40 -1.26 -4.68 117.98 115.29 3cdz s PHE 202 Ca 0.46 1.04 0.01 0.00 -0.60 0.00 0.00 56.93 57.85 3cdz s PHE 202 Cb 0.30 -3.87 0.11 0.00 0.51 0.00 0.00 43.02 40.08 3cdz s PHE 202 CO -0.12 -2.78 0.17 0.34 0.70 0.00 0.00 175.22 173.54 3cdz s ASP 203 N 0.22 4.89 0.00 1.36 2.15 -1.26 -3.77 116.67 120.26 3cdz s ASP 203 Ca 0.58 -2.34 0.00 0.00 0.43 0.00 0.00 52.55 51.22 3cdz s ASP 203 Cb -0.43 -1.72 0.00 0.00 -0.30 0.00 0.00 42.92 40.47 3cdz s ASP 203 CO 0.48 -0.40 0.42 -0.62 -0.17 0.00 0.00 175.17 174.87 3cdz n GLU 204 N 4.07 0.00 0.11 4.34 4.71 -1.26 1.00 120.64 133.61 3cdz n GLU 204 Ca 0.03 0.02 0.09 0.00 -0.01 0.00 0.00 57.16 57.29 3cdz n GLU 204 Cb 0.40 -1.51 0.01 0.00 -1.01 0.00 0.00 31.44 29.32 3cdz n GLU 204 CO 0.00 0.00 0.00 0.78 0.09 0.00 0.00 177.13 178.00 3cdz h GLY 205 N 0.00 0.00 -3.22 0.62 0.00 -1.89 -3.32 103.07 95.26 3cdz h GLY 205 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 47.33 46.90 3cdz h GLY 205 CO 0.00 0.00 0.23 0.28 0.00 0.00 0.00 176.54 177.05 3cdz n LYS 206 N -2.79 2.34 0.00 4.80 4.76 0.28 -4.97 118.16 122.58 3cdz n LYS 206 Ca -0.01 -3.29 0.00 0.00 -2.87 0.00 0.00 58.31 52.14 3cdz n LYS 206 Cb 0.61 -2.08 0.00 0.00 -1.84 0.00 0.00 35.03 31.72 3cdz n LYS 206 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3cdz n SER 207 N -1.04 -0.03 0.25 4.39 2.88 -1.23 -4.34 113.62 114.50 3cdz n SER 207 Ca 0.48 -0.55 0.15 0.00 -1.33 0.00 0.00 58.87 57.63 3cdz n SER 207 Cb 1.13 0.00 0.53 0.00 -0.75 0.00 0.00 64.21 65.12 3cdz n SER 207 CO 0.00 0.00 0.00 4.11 -1.23 0.00 0.00 175.04 177.92 3cdz h TRP 208 N -0.59 0.00 -2.75 0.66 5.08 -1.91 -3.44 115.95 113.00 3cdz h TRP 208 Ca 0.00 0.00 -0.58 0.00 1.08 0.00 0.00 58.89 59.39 3cdz h TRP 208 Cb 0.00 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 26.11 3cdz h TRP 208 CO 0.00 0.00 -0.52 -3.38 -1.28 0.00 0.00 178.44 173.26 3cdz s HIS 209 N -3.50 3.33 0.39 0.12 -0.00 -1.26 -5.14 115.29 109.23 3cdz s HIS 209 Ca 0.03 0.09 0.08 0.00 -0.00 0.00 0.00 55.06 55.25 3cdz s HIS 209 Cb 0.08 -1.62 -0.08 0.00 -0.00 0.00 0.00 32.58 30.96 3cdz s HIS 209 CO 0.57 0.53 -0.02 -1.54 -0.00 0.00 0.00 174.74 174.28 3cdz s SER 210 N -2.96 3.84 0.00 7.38 1.04 -1.26 -4.80 113.70 116.94 3cdz s SER 210 Ca 0.33 -1.33 0.00 0.00 0.48 0.00 0.00 55.95 55.43 3cdz s SER 210 Cb -0.11 -0.39 0.00 0.00 0.10 0.00 0.00 66.02 65.62 3cdz s SER 210 CO 0.26 -0.39 0.00 -1.54 0.98 0.00 0.00 173.24 172.55 3cdz n SER 224 N -0.92 0.00 0.00 7.02 3.41 -1.26 -5.11 113.62 116.76 3cdz n SER 224 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 3cdz n SER 224 Cb 0.66 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 3cdz n SER 224 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cdz n ALA 225 N 0.00 0.00 -3.31 7.33 0.00 -1.26 -4.94 120.51 118.34 3cdz n ALA 225 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 3cdz n ALA 225 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 3cdz n ALA 225 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3cdz s ARG 226 N 0.00 0.83 0.00 0.00 3.00 -1.26 -5.01 118.95 116.51 3cdz s ARG 226 Ca 0.00 -1.63 0.00 0.00 -1.00 0.00 0.00 55.73 53.10 3cdz s ARG 226 Cb 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 34.95 33.87 3cdz s ARG 226 CO 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 175.30 173.98 3cdz n ALA 227 N 3.28 0.00 -1.84 6.12 0.00 -1.26 -5.19 120.51 121.62 3cdz n ALA 227 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.35 3cdz n ALA 227 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.91 3cdz n ALA 227 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3cdz s TRP 228 N 0.00 3.53 0.71 0.00 0.52 -1.26 -5.00 118.94 117.43 3cdz s TRP 228 Ca 0.00 1.37 -0.16 0.00 0.02 0.00 0.00 56.10 57.32 3cdz s TRP 228 Cb 0.00 -2.76 0.02 0.00 -1.15 0.00 0.00 33.47 29.58 3cdz s TRP 228 CO 0.00 -0.60 1.26 -2.14 0.02 0.00 0.00 176.95 175.49 3cdz s PRO 229 N -4.73 2.21 -0.17 4.98 0.02 -1.26 -5.08 135.00 130.98 3cdz s PRO 229 Ca 0.57 1.96 -0.30 0.00 0.02 0.00 0.00 61.00 63.24 3cdz s PRO 229 Cb -0.11 -1.82 0.13 0.00 0.02 0.00 0.00 34.50 32.72 3cdz s PRO 229 CO 0.45 -1.83 1.00 0.21 -0.33 0.00 0.00 177.00 176.51 3cdz s LYS 230 N -3.66 0.58 0.03 5.54 2.47 -1.26 -4.51 119.74 118.94 3cdz s LYS 230 Ca 0.79 0.16 -0.11 0.00 -1.56 0.00 0.00 55.97 55.25 3cdz s LYS 230 Cb -0.34 0.28 0.04 0.00 -1.46 0.00 0.00 37.83 36.34 3cdz s LYS 230 CO 0.44 -0.18 0.51 -1.33 0.16 0.00 0.00 175.35 174.94 3cdz n MET 231 N 0.78 0.17 -0.41 4.03 2.81 -1.26 -4.64 117.12 118.61 3cdz n MET 231 Ca -0.10 -0.47 -0.00 0.00 -1.81 0.00 0.00 57.70 55.31 3cdz n MET 231 Cb 0.58 0.69 -0.00 0.00 -0.71 0.00 0.00 33.22 33.78 3cdz n MET 231 CO 0.00 0.00 0.00 1.58 1.51 0.00 0.00 175.97 179.06 3cdz n HIS 232 N -0.36 0.00 -3.90 2.03 -0.00 -1.25 -4.75 115.22 107.00 3cdz n HIS 232 Ca 0.01 -0.03 -0.10 0.00 -0.00 0.00 0.00 57.72 57.60 3cdz n HIS 232 Cb 0.25 0.24 -0.09 0.00 -0.00 0.00 0.00 29.99 30.39 3cdz n HIS 232 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.34 177.29 3cdz s THR 233 N 0.00 0.12 0.04 3.57 -4.23 -0.96 -4.67 115.64 109.51 3cdz s THR 233 Ca 0.00 -1.00 -0.30 0.00 -1.18 0.00 0.00 61.69 59.20 3cdz s THR 233 Cb 0.00 -0.87 -0.16 0.00 1.34 0.00 0.00 72.50 72.81 3cdz s THR 233 CO 0.00 -0.55 0.77 0.52 -0.54 0.00 0.00 174.62 174.82 3cdz n VAL 234 N 0.78 0.41 -0.10 2.29 0.31 -1.23 -2.14 118.33 118.66 3cdz n VAL 234 Ca -0.19 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 3cdz n VAL 234 Cb 0.58 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.51 3cdz n VAL 234 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 3cdz n ASN 235 N 1.34 0.00 0.00 4.52 5.15 -0.59 0.37 115.26 126.05 3cdz n ASN 235 Ca 0.16 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.14 3cdz n ASN 235 Cb 0.10 -1.26 0.00 0.00 -0.53 0.00 0.00 39.78 38.09 3cdz n ASN 235 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3cdz n GLY 236 N -1.32 1.59 3.00 8.20 0.00 -0.91 -3.67 105.19 112.08 3cdz n GLY 236 Ca 0.00 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 3cdz n GLY 236 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3cdz s TYR 237 N -2.00 3.62 0.94 1.61 2.02 1.15 -4.78 117.35 119.91 3cdz s TYR 237 Ca 0.00 -2.94 -0.15 0.00 -0.37 0.00 0.00 57.07 53.61 3cdz s TYR 237 Cb 0.00 -2.85 0.17 0.00 -0.40 0.00 0.00 41.96 38.88 3cdz s TYR 237 CO 0.00 -0.94 1.25 0.08 -1.57 0.00 0.00 175.55 174.37 3cdz s VAL 238 N 0.90 1.97 0.00 0.71 1.01 -1.20 -4.20 120.40 119.59 3cdz s VAL 238 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.09 3cdz s VAL 238 Cb -0.19 -2.93 0.00 0.00 0.00 0.00 0.00 36.38 33.25 3cdz s VAL 238 CO -0.09 0.00 0.00 -3.20 0.00 0.00 0.00 175.10 171.81 3cdz n ASN 239 N -3.74 0.00 0.00 3.32 2.85 -1.17 0.24 115.26 116.76 3cdz n ASN 239 Ca 0.12 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.59 3cdz n ASN 239 Cb 0.60 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.62 3cdz n ASN 239 CO 0.00 0.00 0.00 -2.11 -2.11 0.00 0.00 177.26 173.04 3cdz n ARG 240 N 0.00 0.00 -1.17 1.20 1.85 -1.26 -4.14 116.66 113.14 3cdz n ARG 240 Ca 0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.48 3cdz n ARG 240 Cb 0.00 -0.15 0.04 0.00 -1.05 0.00 0.00 32.46 31.29 3cdz n ARG 240 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 3cdz n SER 241 N 0.00 -3.70 -4.19 2.89 7.64 0.66 -4.81 113.62 112.11 3cdz n SER 241 Ca 0.00 0.50 -0.25 0.00 1.01 0.00 0.00 58.87 60.13 3cdz n SER 241 Cb 0.16 -0.92 -0.15 0.00 -1.01 0.00 0.00 64.21 62.29 3cdz n SER 241 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3cdz s LEU 242 N 4.46 2.08 0.00 -3.43 2.01 -1.26 -4.49 118.68 118.04 3cdz s LEU 242 Ca 0.54 -0.38 0.00 0.00 0.01 0.00 0.00 54.13 54.30 3cdz s LEU 242 Cb -0.36 -0.90 0.00 0.00 0.01 0.00 0.00 46.19 44.93 3cdz s LEU 242 CO 0.69 0.19 0.00 -0.81 1.01 0.00 0.00 176.35 177.43 3cdz n PRO 243 N 2.39 0.00 0.00 1.29 -0.05 -1.26 -5.06 135.00 132.31 3cdz n PRO 243 Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.29 3cdz n PRO 243 Cb 0.54 0.00 0.00 0.00 -0.05 0.00 0.00 33.50 33.99 3cdz n PRO 243 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 3cdz n GLY 244 N 3.24 0.48 3.95 0.55 0.00 -1.26 -4.89 105.19 107.26 3cdz n GLY 244 Ca 0.00 0.07 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 3cdz n GLY 244 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cdz s LEU 245 N 0.00 3.11 0.30 0.99 1.43 -1.26 -4.98 118.68 118.27 3cdz s LEU 245 Ca 0.00 -0.90 0.03 0.00 -1.03 0.00 0.00 54.13 52.23 3cdz s LEU 245 Cb 0.00 -1.71 -0.06 0.00 0.03 0.00 0.00 46.19 44.45 3cdz s LEU 245 CO 0.00 -1.04 0.06 -0.51 0.23 0.00 0.00 176.35 175.09 3cdz s ILE 246 N -2.62 1.06 0.19 -0.59 1.10 -1.26 -4.75 121.20 114.33 3cdz s ILE 246 Ca 0.49 -2.01 0.11 0.00 -0.51 0.00 0.00 60.65 58.73 3cdz s ILE 246 Cb -0.04 -2.73 -0.04 0.00 0.15 0.00 0.00 42.46 39.80 3cdz s ILE 246 CO 0.30 -0.03 -0.23 -0.83 -2.11 0.00 0.00 174.94 172.04 3cdz s GLY 247 N -3.44 1.65 0.85 1.50 0.00 -1.26 -5.00 107.32 101.61 3cdz s GLY 247 Ca 0.36 -1.61 -0.14 0.00 0.00 0.00 0.00 44.72 43.33 3cdz s GLY 247 CO 0.15 -1.65 0.65 0.00 0.00 0.00 0.00 173.10 172.26 3cdz h HIS 249 N -1.05 0.23 0.00 0.00 2.07 -1.67 -3.38 115.15 111.35 3cdz h HIS 249 Ca -0.45 -0.16 0.00 0.00 -2.85 0.00 0.00 60.37 56.91 3cdz h HIS 249 Cb 1.31 -0.01 0.00 0.00 2.57 0.00 0.00 27.41 31.28 3cdz h HIS 249 CO 0.40 1.49 0.00 0.54 -3.07 0.00 0.00 177.93 177.28 3cdz n ARG 250 N -4.16 0.78 0.00 5.12 5.12 -1.26 -4.14 116.66 118.13 3cdz n ARG 250 Ca -0.27 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.65 3cdz n ARG 250 Cb 0.78 -1.17 0.00 0.00 -1.16 0.00 0.00 32.46 30.91 3cdz n ARG 250 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 3cdz n LYS 251 N -0.67 0.00 -4.06 5.56 -0.00 -1.26 -4.98 118.16 112.75 3cdz n LYS 251 Ca 0.07 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.10 3cdz n LYS 251 Cb 0.03 0.00 -0.06 0.00 -0.00 0.00 0.00 35.03 35.00 3cdz n LYS 251 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 3cdz s SER 252 N 1.16 5.60 -0.06 -5.58 1.04 -1.26 -3.86 113.70 110.73 3cdz s SER 252 Ca 0.00 -0.05 -0.00 0.00 0.48 0.00 0.00 55.95 56.37 3cdz s SER 252 Cb 0.00 -1.50 0.03 0.00 0.10 0.00 0.00 66.02 64.64 3cdz s SER 252 CO 0.00 0.11 -0.02 -0.69 0.98 0.00 0.00 173.24 173.62 3cdz s VAL 253 N -1.61 0.46 -0.16 5.02 1.01 -0.28 -4.55 120.40 120.30 3cdz s VAL 253 Ca 0.31 0.01 -0.08 0.00 0.00 0.00 0.00 61.98 62.22 3cdz s VAL 253 Cb -0.11 -0.56 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 3cdz s VAL 253 CO 0.23 0.25 0.11 -0.31 0.00 0.00 0.00 175.10 175.38 3cdz s TYR 254 N 1.52 3.42 -0.09 5.22 2.02 0.73 -2.33 117.35 127.83 3cdz s TYR 254 Ca -0.02 0.34 0.01 0.00 -0.37 0.00 0.00 57.07 57.03 3cdz s TYR 254 Cb -0.13 -2.03 0.02 0.00 -0.40 0.00 0.00 41.96 39.42 3cdz s TYR 254 CO -0.03 0.44 -0.11 -1.58 -1.57 0.00 0.00 175.55 172.70 3cdz s TRP 255 N -0.26 1.54 -0.38 2.71 0.51 0.05 -1.77 118.94 121.34 3cdz s TRP 255 Ca 0.10 -0.69 -0.29 0.00 -2.12 0.00 0.00 56.10 53.11 3cdz s TRP 255 Cb -0.12 -1.19 0.02 0.00 -0.81 0.00 0.00 33.47 31.37 3cdz s TRP 255 CO 0.01 -0.41 1.08 -1.01 -0.51 0.00 0.00 176.95 176.10 3cdz s HIS 256 N 1.18 3.03 -0.22 -1.98 3.76 -0.60 -2.47 115.29 117.99 3cdz s HIS 256 Ca -0.05 0.99 -0.03 0.00 -0.15 0.00 0.00 55.06 55.82 3cdz s HIS 256 Cb -0.14 -3.93 0.00 0.00 1.11 0.00 0.00 32.58 29.62 3cdz s HIS 256 CO -0.03 -0.94 -0.06 0.54 -0.85 0.00 0.00 174.74 173.41 3cdz s VAL 257 N 3.89 3.17 -0.33 -0.90 0.11 -1.26 -2.39 120.40 122.68 3cdz s VAL 257 Ca 0.45 -0.62 -0.09 0.00 -2.93 0.00 0.00 61.98 58.80 3cdz s VAL 257 Cb -0.10 -2.46 0.02 0.00 -1.53 0.00 0.00 36.38 32.30 3cdz s VAL 257 CO 0.21 0.40 0.14 -0.63 -3.33 0.00 0.00 175.10 171.89 3cdz s ILE 258 N 1.44 4.24 0.35 7.04 1.01 -0.95 -4.16 121.20 130.18 3cdz s ILE 258 Ca 0.05 -0.78 -0.27 0.00 0.00 0.00 0.00 60.65 59.66 3cdz s ILE 258 Cb -0.14 -3.28 -0.09 0.00 0.01 0.00 0.00 42.46 38.95 3cdz s ILE 258 CO -0.04 -0.07 1.12 -0.83 0.00 0.00 0.00 174.94 175.11 3cdz s GLY 259 N 1.52 2.91 0.19 6.18 0.00 0.85 -1.91 107.32 117.06 3cdz s GLY 259 Ca 0.02 0.88 -0.01 0.00 0.00 0.00 0.00 44.72 45.62 3cdz s GLY 259 CO 0.05 1.41 0.11 -0.29 0.00 0.00 0.00 173.10 174.38 3cdz s MET 260 N -2.03 1.17 0.00 2.90 1.75 -0.97 -3.45 119.30 118.68 3cdz s MET 260 Ca 0.52 -1.61 0.00 0.00 -1.25 0.00 0.00 55.69 53.35 3cdz s MET 260 Cb -0.29 0.22 0.00 0.00 2.84 0.00 0.00 34.83 37.59 3cdz s MET 260 CO 0.37 -0.36 0.00 0.41 -0.65 0.00 0.00 175.02 174.79 3cdz n GLY 261 N -0.26 0.42 0.22 2.11 0.00 -1.25 -4.43 105.19 101.99 3cdz n GLY 261 Ca 0.01 -1.83 0.03 0.00 0.00 0.00 0.00 46.02 44.22 3cdz n GLY 261 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3cdz n THR 262 N 0.85 0.65 -3.56 2.61 5.66 -1.26 -4.96 114.28 114.27 3cdz n THR 262 Ca 0.00 -0.75 -0.15 0.00 -3.05 0.00 0.00 64.05 60.10 3cdz n THR 262 Cb 0.00 0.40 -0.06 0.00 -1.55 0.00 0.00 70.33 69.12 3cdz n THR 262 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 3cdz s THR 263 N -0.92 0.02 -0.44 1.09 -1.32 -1.26 -5.07 115.64 107.74 3cdz s THR 263 Ca 0.09 -0.17 -0.21 0.00 -1.21 0.00 0.00 61.69 60.19 3cdz s THR 263 Cb 0.08 -0.95 -0.22 0.00 -1.51 0.00 0.00 72.50 69.90 3cdz s THR 263 CO 0.01 -0.09 1.58 -0.81 -2.21 0.00 0.00 174.62 173.10 3cdz n PRO 264 N 0.59 0.04 -3.77 7.08 -0.04 -1.26 -4.59 135.00 133.04 3cdz n PRO 264 Ca -0.19 -1.01 -0.29 0.00 -0.04 0.00 0.00 63.50 61.98 3cdz n PRO 264 Cb 0.59 -2.67 -0.13 0.00 -0.04 0.00 0.00 33.50 31.25 3cdz n PRO 264 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3cdz s GLU 265 N 6.84 1.72 0.42 0.54 2.12 -1.26 -4.95 118.70 124.14 3cdz s GLU 265 Ca 0.55 -2.54 -0.24 0.00 0.36 0.00 0.00 54.97 53.10 3cdz s GLU 265 Cb 0.03 -2.74 -0.08 0.00 0.26 0.00 0.00 34.13 31.60 3cdz s GLU 265 CO 0.19 -1.22 1.16 0.14 -0.54 0.00 0.00 175.26 174.99 3cdz s VAL 266 N -0.35 3.17 0.00 3.70 -7.23 -1.26 -4.62 120.40 113.81 3cdz s VAL 266 Ca 0.22 0.93 0.00 0.00 -1.81 0.00 0.00 61.98 61.32 3cdz s VAL 266 Cb -0.15 -3.50 0.00 0.00 0.56 0.00 0.00 36.38 33.29 3cdz s VAL 266 CO -0.07 0.04 0.00 1.41 -0.31 0.00 0.00 175.10 176.17 3cdz n HIS 267 N -0.17 0.00 -3.15 2.82 8.25 0.12 -5.01 115.22 118.09 3cdz n HIS 267 Ca 0.06 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.56 3cdz n HIS 267 Cb 0.47 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.58 3cdz n HIS 267 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 3cdz s SER 268 N -0.97 -0.83 -0.04 0.41 0.15 -1.24 -3.60 113.70 107.58 3cdz s SER 268 Ca 0.00 0.26 -0.01 0.00 0.70 0.00 0.00 55.95 56.90 3cdz s SER 268 Cb 0.00 1.59 -0.04 0.00 -1.71 0.00 0.00 66.02 65.86 3cdz s SER 268 CO 0.00 -0.15 0.05 -0.63 1.20 0.00 0.00 173.24 173.71 3cdz s ILE 269 N 2.92 4.62 0.09 6.45 1.09 0.14 -3.98 121.20 132.53 3cdz s ILE 269 Ca 0.15 -0.32 -0.01 0.00 -1.10 0.00 0.00 60.65 59.37 3cdz s ILE 269 Cb -0.08 -3.05 -0.04 0.00 -1.06 0.00 0.00 42.46 38.23 3cdz s ILE 269 CO -0.20 0.46 0.01 -0.36 -0.10 0.00 0.00 174.94 174.75 3cdz s PHE 270 N -1.07 0.73 0.16 3.97 2.99 -1.24 -2.58 117.98 120.95 3cdz s PHE 270 Ca 0.19 -1.13 -0.23 0.00 0.00 0.00 0.00 56.93 55.77 3cdz s PHE 270 Cb -0.12 -0.46 0.08 0.00 0.00 0.00 0.00 43.02 42.53 3cdz s PHE 270 CO 0.09 -0.41 1.07 -0.48 -0.00 0.00 0.00 175.22 175.49 3cdz s LEU 271 N -3.00 0.01 -0.21 -0.37 0.05 -1.26 -2.90 118.68 111.01 3cdz s LEU 271 Ca 0.16 -0.63 -0.21 0.00 0.05 0.00 0.00 54.13 53.49 3cdz s LEU 271 Cb 0.07 1.99 -0.02 0.00 -2.05 0.00 0.00 46.19 46.18 3cdz s LEU 271 CO -0.04 -0.91 0.65 -1.61 -0.55 0.00 0.00 176.35 173.89 3cdz s GLU 272 N -2.09 4.20 0.00 1.48 8.01 -1.26 -4.61 118.70 124.42 3cdz s GLU 272 Ca 0.24 0.64 0.00 0.00 0.01 0.00 0.00 54.97 55.86 3cdz s GLU 272 Cb -0.03 -3.59 0.00 0.00 -4.31 0.00 0.00 34.13 26.20 3cdz s GLU 272 CO 0.05 -0.29 0.00 0.41 0.01 0.00 0.00 175.26 175.44 3cdz n GLY 273 N 3.84 2.67 0.08 -1.39 0.00 -1.26 -4.89 105.19 104.24 3cdz n GLY 273 Ca -0.01 -1.81 -0.10 0.00 0.00 0.00 0.00 46.02 44.10 3cdz n GLY 273 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3cdz h HIS 274 N 0.00 0.13 -1.42 1.61 3.86 -1.90 -3.49 115.15 113.94 3cdz h HIS 274 Ca 0.00 -0.10 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 3cdz h HIS 274 Cb 0.00 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 28.46 3cdz h HIS 274 CO 0.00 1.11 0.00 -2.37 0.86 0.00 0.00 177.93 177.53 3cdz n THR 275 N -3.28 0.00 0.28 2.45 5.66 -1.26 -4.39 114.28 113.73 3cdz n THR 275 Ca -0.10 0.00 0.16 0.00 -3.05 0.00 0.00 64.05 61.06 3cdz n THR 275 Cb 1.01 -1.90 0.72 0.00 -1.55 0.00 0.00 70.33 68.61 3cdz n THR 275 CO 0.00 0.00 0.00 -0.26 -3.05 0.00 0.00 175.07 171.76 3cdz h PHE 276 N 0.00 0.00 -3.28 1.09 0.05 -1.55 -3.37 116.94 109.88 3cdz h PHE 276 Ca 0.00 0.00 -0.54 0.00 3.82 0.00 0.00 57.97 61.25 3cdz h PHE 276 Cb 0.95 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.89 3cdz h PHE 276 CO 0.00 0.05 0.50 -1.17 -0.18 0.00 0.00 178.31 177.51 3cdz s LEU 277 N -6.41 4.35 0.04 1.54 1.98 -1.06 -3.81 118.68 115.30 3cdz s LEU 277 Ca -0.00 1.80 0.00 0.00 -2.89 0.00 0.00 54.13 53.04 3cdz s LEU 277 Cb 0.10 -3.57 0.00 0.00 0.66 0.00 0.00 46.19 43.38 3cdz s LEU 277 CO 0.55 -0.39 0.00 0.52 -1.89 0.00 0.00 176.35 175.14 3cdz n VAL 278 N 4.05 0.07 -0.96 1.68 0.31 -0.89 -4.14 118.33 118.45 3cdz n VAL 278 Ca 0.08 0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 3cdz n VAL 278 Cb 0.49 -0.42 0.00 0.00 -0.91 0.00 0.00 33.84 32.99 3cdz n VAL 278 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3cdz n ARG 279 N -2.66 3.66 -0.22 5.55 0.63 -1.26 -4.64 116.66 117.72 3cdz n ARG 279 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3cdz n ARG 279 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 3cdz n ARG 279 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 3cdz n ASN 280 N 0.00 3.73 -4.71 6.15 6.94 -1.26 -4.68 115.26 121.42 3cdz n ASN 280 Ca 0.00 -2.03 -0.38 0.00 -0.02 0.00 0.00 54.58 52.15 3cdz n ASN 280 Cb 0.00 -0.72 -0.06 0.00 -2.36 0.00 0.00 39.78 36.64 3cdz n ASN 280 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 3cdz s HIS 281 N 0.15 3.51 -0.34 -2.53 2.46 -1.26 -4.64 115.29 112.63 3cdz s HIS 281 Ca 0.00 0.93 0.02 0.00 0.47 0.00 0.00 55.06 56.48 3cdz s HIS 281 Cb 0.00 -2.60 0.09 0.00 -0.13 0.00 0.00 32.58 29.94 3cdz s HIS 281 CO 0.00 0.12 0.06 1.03 -2.47 0.00 0.00 174.74 173.48 3cdz s ARG 282 N 0.77 1.82 0.01 2.88 0.52 -1.25 -2.08 118.95 121.62 3cdz s ARG 282 Ca 0.28 -1.72 0.01 0.00 -0.52 0.00 0.00 55.73 53.78 3cdz s ARG 282 Cb -0.15 -3.24 -0.04 0.00 0.52 0.00 0.00 34.95 32.03 3cdz s ARG 282 CO 0.11 -0.88 0.03 -0.65 0.02 0.00 0.00 175.30 173.93 3cdz s GLN 283 N 1.02 2.84 0.25 3.54 -0.21 -1.25 -4.96 119.66 120.89 3cdz s GLN 283 Ca 0.06 -0.61 -0.01 0.00 0.02 0.00 0.00 55.36 54.81 3cdz s GLN 283 Cb -0.20 -2.71 0.30 0.00 1.00 0.00 0.00 33.01 31.40 3cdz s GLN 283 CO -0.06 0.62 1.69 0.00 -2.12 0.00 0.00 175.29 175.42 3cdz h ALA 284 N 4.10 1.01 -0.42 6.09 0.00 -1.89 -3.39 119.26 124.76 3cdz h ALA 284 Ca -0.49 -0.34 0.23 0.00 0.00 0.00 0.00 54.91 54.32 3cdz h ALA 284 Cb 1.18 -0.15 -0.25 0.00 0.00 0.00 0.00 17.79 18.57 3cdz h ALA 284 CO 0.60 0.59 0.36 -1.54 0.00 0.00 0.00 179.25 179.25 3cdz s SER 285 N -6.75 -0.29 0.03 0.00 1.04 -1.26 -4.86 113.70 101.62 3cdz s SER 285 Ca -0.08 0.34 -0.37 0.00 0.48 0.00 0.00 55.95 56.32 3cdz s SER 285 Cb 0.14 1.31 -0.16 0.00 0.10 0.00 0.00 66.02 67.40 3cdz s SER 285 CO 0.81 -0.06 1.43 0.18 0.98 0.00 0.00 173.24 176.59 3cdz n LEU 286 N 4.90 1.91 -3.99 2.42 7.99 -1.06 -4.63 117.00 124.54 3cdz n LEU 286 Ca -0.08 1.11 -0.31 0.00 -0.01 0.00 0.00 56.01 56.72 3cdz n LEU 286 Cb 0.54 -1.20 -0.15 0.00 -0.11 0.00 0.00 43.42 42.50 3cdz n LEU 286 CO -0.06 -0.87 -0.41 -1.83 -1.51 0.00 0.00 177.39 172.70 3cdz s GLU 287 N 1.06 1.73 -0.07 3.23 -1.05 -1.26 0.26 118.70 122.61 3cdz s GLU 287 Ca 0.86 -1.31 0.01 0.00 -0.15 0.00 0.00 54.97 54.38 3cdz s GLU 287 Cb -0.95 -2.78 -0.03 0.00 -0.44 0.00 0.00 34.13 29.93 3cdz s GLU 287 CO 0.49 -0.69 -0.09 0.42 0.95 0.00 0.00 175.26 176.34 3cdz s ILE 288 N 1.20 3.54 0.49 1.83 1.01 -1.24 -4.98 121.20 123.06 3cdz s ILE 288 Ca -0.02 -0.54 0.02 0.00 0.00 0.00 0.00 60.65 60.11 3cdz s ILE 288 Cb -0.19 -2.44 -0.01 0.00 0.01 0.00 0.00 42.46 39.83 3cdz s ILE 288 CO -0.08 0.59 0.05 -0.94 0.00 0.00 0.00 174.94 174.57 3cdz s SER 289 N -0.68 3.71 0.00 3.58 1.04 -1.26 0.15 113.70 120.24 3cdz s SER 289 Ca 0.10 -1.71 0.00 0.00 0.48 0.00 0.00 55.95 54.82 3cdz s SER 289 Cb -0.11 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.65 3cdz s SER 289 CO 0.01 -0.94 0.00 -2.65 0.98 0.00 0.00 173.24 170.64 3cdz n PRO 290 N -1.18 0.00 -4.00 4.02 -0.02 -1.26 -3.73 135.00 128.82 3cdz n PRO 290 Ca -0.16 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.01 3cdz n PRO 290 Cb 0.66 0.00 -0.16 0.00 -0.02 0.00 0.00 33.50 33.99 3cdz n PRO 290 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3cdz s ILE 291 N -0.16 1.77 -0.06 4.25 1.10 -1.26 -3.23 121.20 123.61 3cdz s ILE 291 Ca 0.00 -1.26 -0.03 0.00 -0.51 0.00 0.00 60.65 58.85 3cdz s ILE 291 Cb 0.00 -1.91 0.03 0.00 0.15 0.00 0.00 42.46 40.73 3cdz s ILE 291 CO 0.00 0.03 0.13 -0.89 -2.11 0.00 0.00 174.94 172.10 3cdz s THR 292 N 1.31 -0.04 -0.26 4.00 2.01 -1.22 -4.96 115.64 116.48 3cdz s THR 292 Ca -0.05 0.13 -0.02 0.00 0.31 0.00 0.00 61.69 62.07 3cdz s THR 292 Cb -0.18 -0.21 0.14 0.00 0.01 0.00 0.00 72.50 72.26 3cdz s THR 292 CO -0.07 0.05 0.39 0.72 -0.69 0.00 0.00 174.62 175.03 3cdz s PHE 293 N 0.86 -0.89 0.36 4.92 -0.71 -1.26 0.29 117.98 121.54 3cdz s PHE 293 Ca -0.07 0.75 0.04 0.00 -1.04 0.00 0.00 56.93 56.61 3cdz s PHE 293 Cb -0.09 -0.00 -0.06 0.00 -1.21 0.00 0.00 43.02 41.67 3cdz s PHE 293 CO -0.04 -0.79 0.06 -1.17 -1.34 0.00 0.00 175.22 171.95 3cdz s LEU 294 N 2.56 2.20 -0.03 -1.99 2.96 -1.26 -4.80 118.68 118.31 3cdz s LEU 294 Ca 0.12 -1.44 0.06 0.00 -0.22 0.00 0.00 54.13 52.65 3cdz s LEU 294 Cb -0.15 -0.39 -0.01 0.00 0.50 0.00 0.00 46.19 46.14 3cdz s LEU 294 CO -0.19 -0.67 -0.21 0.28 -1.32 0.00 0.00 176.35 174.24 3cdz s THR 295 N -3.22 1.67 0.07 3.68 -1.32 -1.26 -4.04 115.64 111.22 3cdz s THR 295 Ca 0.33 -0.88 -0.04 0.00 -1.21 0.00 0.00 61.69 59.89 3cdz s THR 295 Cb 0.07 -1.41 -0.03 0.00 -1.51 0.00 0.00 72.50 69.63 3cdz s THR 295 CO 0.15 0.47 0.05 0.00 -2.21 0.00 0.00 174.62 173.09 3cdz s ALA 296 N -0.25 0.24 0.06 11.08 0.00 -1.03 -4.52 121.76 127.33 3cdz s ALA 296 Ca 0.02 -0.99 -0.00 0.00 0.00 0.00 0.00 51.96 50.99 3cdz s ALA 296 Cb -0.10 0.36 -0.04 0.00 0.00 0.00 0.00 23.12 23.34 3cdz s ALA 296 CO 0.01 -0.42 -0.04 1.14 0.00 0.00 0.00 175.76 176.45 3cdz s GLN 297 N -3.90 0.64 0.13 0.00 -2.07 -1.26 -0.77 119.66 112.43 3cdz s GLN 297 Ca 0.06 -1.20 -0.08 0.00 -1.82 0.00 0.00 55.36 52.32 3cdz s GLN 297 Cb 0.07 0.11 -0.01 0.00 -1.09 0.00 0.00 33.01 32.09 3cdz s GLN 297 CO -0.10 -0.09 0.23 0.95 -1.32 0.00 0.00 175.29 174.96 3cdz s THR 298 N -3.69 0.10 0.00 3.63 -4.23 -0.99 -1.81 115.64 108.66 3cdz s THR 298 Ca 0.06 -1.35 0.00 0.00 -1.18 0.00 0.00 61.69 59.22 3cdz s THR 298 Cb 0.06 -1.67 0.00 0.00 1.34 0.00 0.00 72.50 72.23 3cdz s THR 298 CO -0.08 -0.44 0.00 0.18 -0.54 0.00 0.00 174.62 173.73 3cdz n LEU 299 N -0.15 0.00 -3.72 4.79 7.99 -1.26 -1.12 117.00 123.53 3cdz n LEU 299 Ca -0.10 0.00 -0.10 0.00 -0.01 0.00 0.00 56.01 55.80 3cdz n LEU 299 Cb 0.63 0.00 -0.04 0.00 -0.11 0.00 0.00 43.42 43.89 3cdz n LEU 299 CO 0.24 -0.06 0.19 -0.76 -1.51 0.00 0.00 177.39 175.49 3cdz s LEU 300 N 0.00 0.32 0.01 2.23 1.43 -1.25 -4.83 118.68 116.59 3cdz s LEU 300 Ca 0.00 -0.46 -0.00 0.00 -1.03 0.00 0.00 54.13 52.64 3cdz s LEU 300 Cb 0.00 1.90 -0.00 0.00 0.03 0.00 0.00 46.19 48.12 3cdz s LEU 300 CO 0.00 -0.95 -0.01 0.80 0.23 0.00 0.00 176.35 176.42 3cdz n MET 301 N -0.28 0.01 -2.56 1.70 0.00 -1.26 -4.86 117.12 109.88 3cdz n MET 301 Ca -0.12 0.00 -0.02 0.00 -0.00 0.00 0.00 57.70 57.56 3cdz n MET 301 Cb 0.63 -0.16 0.01 0.00 0.00 0.00 0.00 33.22 33.70 3cdz n MET 301 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 3cdz n ASP 302 N -2.63 -0.89 -0.29 6.12 9.92 -1.26 -4.90 116.55 122.61 3cdz n ASP 302 Ca -0.00 -1.50 0.24 0.00 -0.53 0.00 0.00 54.79 52.99 3cdz n ASP 302 Cb 0.01 1.46 0.39 0.00 -0.64 0.00 0.00 41.12 42.33 3cdz n ASP 302 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 3cdz n LEU 303 N 0.00 0.08 -3.07 0.64 0.00 -0.72 -4.59 117.00 109.33 3cdz n LEU 303 Ca -0.02 0.67 -0.28 0.00 0.00 0.00 0.00 56.01 56.39 3cdz n LEU 303 Cb 0.28 -0.33 -0.10 0.00 0.00 0.00 0.00 43.42 43.27 3cdz n LEU 303 CO 0.11 -0.72 1.52 0.61 0.00 0.00 0.00 177.39 178.91 3cdz n GLY 304 N -1.34 -0.33 3.62 -3.96 0.00 -1.26 -4.11 105.19 97.80 3cdz n GLY 304 Ca 0.22 0.79 -0.43 0.00 0.00 0.00 0.00 46.02 46.60 3cdz n GLY 304 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3cdz s GLN 305 N 6.14 3.48 0.26 1.61 -2.07 -1.25 -4.62 119.66 123.22 3cdz s GLN 305 Ca 0.93 2.02 -0.20 0.00 -1.82 0.00 0.00 55.36 56.29 3cdz s GLN 305 Cb -0.86 -4.25 -0.09 0.00 -1.09 0.00 0.00 33.01 26.72 3cdz s GLN 305 CO 0.34 -1.70 0.78 -0.06 -1.32 0.00 0.00 175.29 173.32 3cdz s PHE 306 N 6.80 3.60 0.21 9.60 2.99 -1.21 -4.69 117.98 135.27 3cdz s PHE 306 Ca 0.91 1.44 -0.30 0.00 0.00 0.00 0.00 56.93 58.98 3cdz s PHE 306 Cb -0.32 -2.67 -0.08 0.00 0.00 0.00 0.00 43.02 39.94 3cdz s PHE 306 CO 0.35 0.26 1.07 -0.51 -0.00 0.00 0.00 175.22 176.39 3cdz s LEU 307 N -2.20 4.52 -0.47 -0.37 1.43 -1.26 -3.95 118.68 116.38 3cdz s LEU 307 Ca 0.47 2.10 0.03 0.00 -1.03 0.00 0.00 54.13 55.71 3cdz s LEU 307 Cb -0.16 -3.61 0.13 0.00 0.03 0.00 0.00 46.19 42.58 3cdz s LEU 307 CO 0.21 -0.15 0.23 -0.22 0.23 0.00 0.00 176.35 176.64 3cdz s LEU 308 N -0.71 3.83 0.65 1.79 1.98 -1.23 -4.25 118.68 120.74 3cdz s LEU 308 Ca 0.47 -2.79 -0.11 0.00 -2.89 0.00 0.00 54.13 48.81 3cdz s LEU 308 Cb -0.29 -1.44 -0.02 0.00 0.66 0.00 0.00 46.19 45.10 3cdz s LEU 308 CO 0.36 -0.26 1.05 -0.36 -1.89 0.00 0.00 176.35 175.25 3cdz s PHE 309 N 0.05 3.49 -0.13 5.38 0.40 -1.14 -3.69 117.98 122.33 3cdz s PHE 309 Ca 0.16 1.16 0.16 0.00 -0.60 0.00 0.00 56.93 57.81 3cdz s PHE 309 Cb -0.25 -2.86 -0.23 0.00 0.51 0.00 0.00 43.02 40.18 3cdz s PHE 309 CO -0.01 -0.90 0.40 0.00 0.70 0.00 0.00 175.22 175.41 3cdz n HIS 311 N -1.94 -1.14 -3.99 0.00 -0.00 -1.26 -3.64 115.22 103.26 3cdz n HIS 311 Ca -0.02 0.20 -0.10 0.00 -0.00 0.00 0.00 57.72 57.80 3cdz n HIS 311 Cb 0.39 -2.37 -0.11 0.00 -0.00 0.00 0.00 29.99 27.89 3cdz n HIS 311 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.34 176.76 3cdz s ILE 312 N -3.90 0.18 0.14 3.57 1.01 -1.26 -4.86 121.20 116.08 3cdz s ILE 312 Ca 0.28 -0.84 -0.22 0.00 0.00 0.00 0.00 60.65 59.87 3cdz s ILE 312 Cb -0.16 -0.30 -0.00 0.00 0.01 0.00 0.00 42.46 42.01 3cdz s ILE 312 CO 0.85 -0.42 1.66 0.28 0.00 0.00 0.00 174.94 177.31 3cdz h SER 313 N 4.80 -0.52 -0.16 3.58 0.02 -1.96 -1.55 113.55 117.75 3cdz h SER 313 Ca -0.32 0.10 -0.04 0.00 -0.84 0.00 0.00 61.79 60.69 3cdz h SER 313 Cb 1.21 0.25 -0.00 0.00 0.14 0.00 0.00 62.40 64.00 3cdz h SER 313 CO 0.42 -0.21 -0.07 0.77 -1.14 0.00 0.00 176.83 176.60 3cdz h SER 314 N -0.19 0.34 0.90 3.07 4.64 -1.97 -3.17 113.55 117.17 3cdz h SER 314 Ca 0.11 -0.40 -0.09 0.00 -0.47 0.00 0.00 61.79 60.94 3cdz h SER 314 Cb 0.35 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.33 3cdz h SER 314 CO -0.28 0.67 -0.41 0.45 -0.87 0.00 0.00 176.83 176.39 3cdz h HIS 315 N 0.01 0.00 0.00 4.77 -0.00 -1.94 -3.40 115.15 114.59 3cdz h HIS 315 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 3cdz h HIS 315 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.94 3cdz h HIS 315 CO 0.06 0.41 0.00 0.94 -0.00 0.00 0.00 177.93 179.34 3cdz n GLN 316 N -3.51 0.00 -0.11 2.45 7.27 -0.59 -1.71 117.38 121.18 3cdz n GLN 316 Ca -0.00 0.02 -0.02 0.00 0.07 0.00 0.00 57.00 57.07 3cdz n GLN 316 Cb 0.54 -0.52 -0.01 0.00 2.41 0.00 0.00 30.24 32.65 3cdz n GLN 316 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71 3cdz n HIS 317 N -0.04 -0.08 -1.49 3.69 -0.00 -1.26 0.24 115.22 116.29 3cdz n HIS 317 Ca 0.00 0.32 -0.31 0.00 0.46 0.00 0.00 57.72 58.19 3cdz n HIS 317 Cb 0.00 -0.55 0.02 0.00 -0.12 0.00 0.00 29.99 29.35 3cdz n HIS 317 CO 0.00 0.00 0.00 -0.40 0.46 0.00 0.00 176.34 176.40 3cdz n ASP 318 N -4.34 7.13 -2.27 0.26 3.85 -1.18 -4.91 116.55 115.09 3cdz n ASP 318 Ca 0.01 -3.53 -0.02 0.00 -0.71 0.00 0.00 54.79 50.54 3cdz n ASP 318 Cb 0.08 -1.09 0.00 0.00 -1.35 0.00 0.00 41.12 38.77 3cdz n ASP 318 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3cdz n GLY 319 N -0.12 2.40 3.69 6.12 0.00 0.66 -4.56 105.19 113.38 3cdz n GLY 319 Ca 0.51 -2.16 -0.33 0.00 0.00 0.00 0.00 46.02 44.04 3cdz n GLY 319 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3cdz s MET 320 N -2.23 2.87 0.02 1.61 -1.94 -1.26 -3.05 119.30 115.32 3cdz s MET 320 Ca 0.04 -0.54 -0.23 0.00 -1.71 0.00 0.00 55.69 53.26 3cdz s MET 320 Cb -0.00 -2.72 0.05 0.00 2.01 0.00 0.00 34.83 34.16 3cdz s MET 320 CO 0.03 0.65 0.52 -1.21 -0.01 0.00 0.00 175.02 175.00 3cdz s GLU 321 N -1.37 0.99 -0.22 2.03 2.02 -1.24 -3.83 118.70 117.08 3cdz s GLU 321 Ca 0.18 -0.15 -0.35 0.00 0.02 0.00 0.00 54.97 54.68 3cdz s GLU 321 Cb -0.11 0.46 0.15 0.00 0.10 0.00 0.00 34.13 34.72 3cdz s GLU 321 CO 0.08 -0.34 1.25 0.00 0.02 0.00 0.00 175.26 176.27 3cdz s ALA 322 N -2.10 -2.09 0.21 5.21 0.00 -1.26 -4.71 121.76 117.03 3cdz s ALA 322 Ca -0.07 1.69 0.03 0.00 0.00 0.00 0.00 51.96 53.62 3cdz s ALA 322 Cb -0.01 -0.38 0.03 0.00 0.00 0.00 0.00 23.12 22.76 3cdz s ALA 322 CO 0.01 -0.52 0.29 0.66 0.00 0.00 0.00 175.76 176.20 3cdz n TYR 323 N 0.05 -2.71 -3.05 0.00 4.02 -1.26 -3.50 117.16 110.70 3cdz n TYR 323 Ca 0.01 -0.78 0.01 0.00 -0.01 0.00 0.00 57.90 57.13 3cdz n TYR 323 Cb 0.58 -0.20 -0.00 0.00 -0.02 0.00 0.00 39.34 39.69 3cdz n TYR 323 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 3cdz s VAL 324 N -0.33 -0.76 -1.84 -0.72 -7.23 -1.25 -4.83 120.40 103.42 3cdz s VAL 324 Ca 0.22 -0.06 0.00 0.00 -1.81 0.00 0.00 61.98 60.33 3cdz s VAL 324 Cb -0.02 0.00 0.00 0.00 0.56 0.00 0.00 36.38 36.92 3cdz s VAL 324 CO 0.14 0.00 0.51 0.29 -0.31 0.00 0.00 175.10 175.73 3cdz n LYS 325 N 4.10 0.55 -1.15 4.82 5.02 -1.26 -3.33 118.16 126.90 3cdz n LYS 325 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 3cdz n LYS 325 Cb 0.59 -1.04 0.00 0.00 -0.02 0.00 0.00 35.03 34.56 3cdz n LYS 325 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3cdz n VAL 326 N -0.39 0.00 -2.95 -0.18 0.31 -1.26 -4.44 118.33 109.42 3cdz n VAL 326 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.14 3cdz n VAL 326 Cb 0.02 0.00 0.03 0.00 -0.91 0.00 0.00 33.84 32.99 3cdz n VAL 326 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3cdz s ASP 327 N -0.81 5.37 1.35 4.52 2.15 -1.25 -1.76 116.67 126.24 3cdz s ASP 327 Ca 0.00 -0.50 -0.20 0.00 0.43 0.00 0.00 52.55 52.28 3cdz s ASP 327 Cb 0.00 -0.36 0.35 0.00 -0.30 0.00 0.00 42.92 42.61 3cdz s ASP 327 CO 0.00 -1.05 0.95 -0.44 -0.17 0.00 0.00 175.17 174.47 3cdz s SER 328 N -4.48 -0.53 -0.00 -0.34 0.01 -1.26 -1.97 113.70 105.13 3cdz s SER 328 Ca 0.58 1.05 0.05 0.00 1.31 0.00 0.00 55.95 58.93 3cdz s SER 328 Cb -0.08 -1.55 -0.03 0.00 0.21 0.00 0.00 66.02 64.57 3cdz s SER 328 CO 0.36 -5.06 -0.13 0.00 0.41 0.00 0.00 173.24 168.82 3cdz h PRO 330 N 4.77 -0.82 0.00 0.00 0.11 -2.03 -3.38 132.00 130.66 3cdz h PRO 330 Ca -0.48 0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.69 3cdz h PRO 330 Cb 1.16 0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.46 3cdz h PRO 330 CO 0.51 -0.51 0.01 -1.91 -0.21 0.00 0.00 178.00 175.88 3cdz n GLU 331 N -5.41 0.00 -3.76 1.05 4.07 -1.26 -3.68 120.64 111.64 3cdz n GLU 331 Ca -0.13 0.05 -0.37 0.00 -0.06 0.00 0.00 57.16 56.65 3cdz n GLU 331 Cb 0.36 -1.51 -0.12 0.00 -0.06 0.00 0.00 31.44 30.11 3cdz n GLU 331 CO 0.00 0.00 0.00 -1.21 -0.06 0.00 0.00 177.13 175.86 3cdz s GLU 332 N -2.01 2.49 -0.07 5.31 8.01 -1.26 -5.33 118.70 125.83 3cdz s GLU 332 Ca 0.00 -1.34 0.06 0.00 0.01 0.00 0.00 54.97 53.71 3cdz s GLU 332 Cb 0.00 -3.47 0.32 0.00 -4.31 0.00 0.00 34.13 26.67 3cdz s GLU 332 CO 0.00 -0.76 1.05 -0.35 0.01 0.00 0.00 175.26 175.21 3cdz n PRO 333 N 4.76 2.38 -1.64 0.39 -0.04 -1.24 -5.01 135.00 134.59 3cdz n PRO 333 Ca -0.11 -1.23 0.00 0.00 -0.04 0.00 0.00 63.50 62.12 3cdz n PRO 333 Cb 0.44 -1.68 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 3cdz n PRO 333 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3cdz n LYS 377 N 0.28 -0.90 0.00 0.54 4.76 -1.26 -5.18 118.16 116.40 3cdz n LYS 377 Ca 0.11 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 3cdz n LYS 377 Cb 0.55 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.74 3cdz n LYS 377 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 3cdz n HIS 378 N -0.60 0.00 -3.56 2.13 8.25 -1.26 -4.83 115.22 115.35 3cdz n HIS 378 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 3cdz n HIS 378 Cb 0.00 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 3cdz n HIS 378 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 3cdz s PRO 379 N 0.12 3.91 0.95 -0.41 0.04 -1.26 -4.98 135.00 133.37 3cdz s PRO 379 Ca 0.00 0.26 -0.14 0.00 0.04 0.00 0.00 61.00 61.16 3cdz s PRO 379 Cb 0.00 -3.26 0.17 0.00 0.04 0.00 0.00 34.50 31.44 3cdz s PRO 379 CO 0.00 0.60 1.19 0.15 0.04 0.00 0.00 177.00 178.98 3cdz s LYS 380 N -0.70 0.79 -0.36 4.56 -0.14 -1.26 -4.93 119.74 117.70 3cdz s LYS 380 Ca 0.21 0.02 0.01 0.00 -1.36 0.00 0.00 55.97 54.85 3cdz s LYS 380 Cb -0.15 -1.82 0.15 0.00 -1.68 0.00 0.00 37.83 34.32 3cdz s LYS 380 CO 0.10 -2.38 0.30 -0.08 -0.76 0.00 0.00 175.35 172.53 3cdz s THR 381 N -3.46 -0.16 0.53 2.17 -1.32 -1.26 -3.36 115.64 108.78 3cdz s THR 381 Ca 0.67 -1.20 -0.15 0.00 -1.21 0.00 0.00 61.69 59.80 3cdz s THR 381 Cb -0.10 -0.86 -0.07 0.00 -1.51 0.00 0.00 72.50 69.96 3cdz s THR 381 CO 0.53 -0.73 0.98 0.26 -2.21 0.00 0.00 174.62 173.45 3cdz s TRP 382 N 1.39 3.49 -0.02 9.09 0.52 -0.13 -4.93 118.94 128.35 3cdz s TRP 382 Ca 0.16 1.39 -0.00 0.00 0.02 0.00 0.00 56.10 57.67 3cdz s TRP 382 Cb -0.18 -2.74 0.03 0.00 -1.15 0.00 0.00 33.47 29.42 3cdz s TRP 382 CO -0.05 -0.42 0.04 0.14 0.02 0.00 0.00 176.95 176.68 3cdz s VAL 383 N -2.73 -0.06 -0.12 4.03 -7.23 -1.26 -1.44 120.40 111.59 3cdz s VAL 383 Ca 0.57 0.20 -0.03 0.00 -1.81 0.00 0.00 61.98 60.92 3cdz s VAL 383 Cb -0.10 -0.09 0.04 0.00 0.56 0.00 0.00 36.38 36.79 3cdz s VAL 383 CO 0.36 0.08 0.05 -1.00 -0.31 0.00 0.00 175.10 174.28 3cdz s HIS 384 N 1.02 0.50 -0.51 2.82 3.76 -0.89 -5.02 115.29 116.97 3cdz s HIS 384 Ca -0.08 -0.29 -0.18 0.00 -0.15 0.00 0.00 55.06 54.36 3cdz s HIS 384 Cb -0.12 -0.76 0.07 0.00 1.11 0.00 0.00 32.58 32.88 3cdz s HIS 384 CO -0.03 -0.42 0.56 0.71 -0.85 0.00 0.00 174.74 174.71 3cdz s TYR 385 N 2.03 3.11 -0.02 1.40 1.51 -1.26 0.52 117.35 124.65 3cdz s TYR 385 Ca 0.03 -0.74 0.07 0.00 -1.01 0.00 0.00 57.07 55.43 3cdz s TYR 385 Cb -0.14 -3.49 -0.02 0.00 -0.11 0.00 0.00 41.96 38.19 3cdz s TYR 385 CO -0.06 -0.99 -0.24 0.42 -1.11 0.00 0.00 175.55 173.57 3cdz s ILE 386 N 2.30 2.27 0.08 2.71 1.01 -0.82 0.11 121.20 128.86 3cdz s ILE 386 Ca 0.11 -1.08 0.08 0.00 0.00 0.00 0.00 60.65 59.76 3cdz s ILE 386 Cb -0.22 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 3cdz s ILE 386 CO 0.09 0.55 -0.19 0.00 0.00 0.00 0.00 174.94 175.39 3cdz s ALA 387 N -0.67 2.59 -0.06 9.38 0.00 0.25 -1.13 121.76 132.12 3cdz s ALA 387 Ca 0.11 -1.30 -0.17 0.00 0.00 0.00 0.00 51.96 50.60 3cdz s ALA 387 Cb -0.10 -0.65 -0.05 0.00 0.00 0.00 0.00 23.12 22.32 3cdz s ALA 387 CO -0.00 0.58 0.44 0.00 0.00 0.00 0.00 175.76 176.78 3cdz s ALA 388 N -1.03 3.57 -0.20 0.00 0.00 -0.03 0.30 121.76 124.37 3cdz s ALA 388 Ca 0.16 -0.21 -0.16 0.00 0.00 0.00 0.00 51.96 51.75 3cdz s ALA 388 Cb -0.10 -2.53 0.06 0.00 0.00 0.00 0.00 23.12 20.54 3cdz s ALA 388 CO 0.07 0.21 0.52 -2.00 0.00 0.00 0.00 175.76 174.57 3cdz s GLU 389 N -0.14 0.58 0.21 0.00 2.12 -1.16 -0.99 118.70 119.31 3cdz s GLU 389 Ca 0.25 0.80 -0.24 0.00 0.36 0.00 0.00 54.97 56.14 3cdz s GLU 389 Cb -0.16 0.21 -0.08 0.00 0.26 0.00 0.00 34.13 34.36 3cdz s GLU 389 CO 0.11 -0.10 0.79 -1.21 -0.54 0.00 0.00 175.26 174.32 3cdz s GLU 390 N 0.67 4.49 0.00 4.30 2.02 -1.26 -2.28 118.70 126.64 3cdz s GLU 390 Ca -0.03 1.11 0.00 0.00 0.02 0.00 0.00 54.97 56.07 3cdz s GLU 390 Cb -0.05 -3.08 0.00 0.00 0.10 0.00 0.00 34.13 31.10 3cdz s GLU 390 CO -0.04 0.48 0.00 -1.91 0.02 0.00 0.00 175.26 173.80 3cdz n GLU 391 N 1.18 0.00 -4.47 1.61 2.13 -0.06 -4.98 120.64 116.05 3cdz n GLU 391 Ca -0.03 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.52 3cdz n GLU 391 Cb 0.49 0.00 -0.13 0.00 0.27 0.00 0.00 31.44 32.07 3cdz n GLU 391 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3cdz s ASP 392 N 0.91 2.89 -0.18 4.31 1.11 -1.26 -2.87 116.67 121.57 3cdz s ASP 392 Ca 0.00 -0.67 0.01 0.00 0.18 0.00 0.00 52.55 52.07 3cdz s ASP 392 Cb 0.00 -0.20 0.04 0.00 1.07 0.00 0.00 42.92 43.83 3cdz s ASP 392 CO 0.00 0.15 -0.10 0.86 1.18 0.00 0.00 175.17 177.26 3cdz s TRP 393 N -1.01 2.25 -0.57 4.23 -0.00 0.47 -4.83 118.94 119.47 3cdz s TRP 393 Ca 0.10 -1.44 -0.19 0.00 -0.00 0.00 0.00 56.10 54.57 3cdz s TRP 393 Cb -0.10 -1.57 0.09 0.00 -0.00 0.00 0.00 33.47 31.89 3cdz s TRP 393 CO 0.04 -0.71 0.68 0.34 -0.00 0.00 0.00 176.95 177.30 3cdz s ASP 394 N 1.45 6.19 0.48 5.86 -1.08 -1.26 -0.86 116.67 127.45 3cdz s ASP 394 Ca 0.00 -1.30 0.14 0.00 -0.52 0.00 0.00 52.55 50.87 3cdz s ASP 394 Cb -0.15 -2.30 1.11 0.00 -1.46 0.00 0.00 42.92 40.12 3cdz s ASP 394 CO -0.08 -1.05 2.08 1.88 0.52 0.00 0.00 175.17 178.51 3cdz h TYR 395 N 9.13 0.06 -2.05 -5.34 0.05 -1.53 -3.35 116.97 113.94 3cdz h TYR 395 Ca -0.29 -0.00 -0.56 0.00 0.05 0.00 0.00 58.73 57.93 3cdz h TYR 395 Cb 1.09 -0.02 -0.40 0.00 1.01 0.00 0.00 36.73 38.41 3cdz h TYR 395 CO 0.81 0.11 -1.00 0.00 -1.05 0.00 0.00 178.16 177.04 3cdz n ALA 396 N -2.52 2.81 -0.07 3.88 0.00 -1.26 -2.08 120.51 121.27 3cdz n ALA 396 Ca -0.02 -3.74 0.00 0.00 0.00 0.00 0.00 53.44 49.68 3cdz n ALA 396 Cb 0.15 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.76 3cdz n ALA 396 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3cdz n PRO 397 N 1.06 0.00 -0.20 0.00 -0.02 -1.26 -4.25 135.00 130.34 3cdz n PRO 397 Ca 0.24 0.47 -0.05 0.00 -2.02 0.00 0.00 63.50 62.13 3cdz n PRO 397 Cb 0.52 -1.04 -0.05 0.00 -0.02 0.00 0.00 33.50 32.91 3cdz n PRO 397 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3cdz n LEU 398 N -1.90 -0.50 -4.72 2.45 -0.00 -1.26 -4.34 117.00 106.73 3cdz n LEU 398 Ca 0.00 1.06 -0.35 0.00 -0.00 0.00 0.00 56.01 56.72 3cdz n LEU 398 Cb 0.00 -0.22 -0.08 0.00 -0.00 0.00 0.00 43.42 43.12 3cdz n LEU 398 CO 0.00 -0.79 -0.24 0.54 -0.00 0.00 0.00 177.39 176.90 3cdz s VAL 399 N -4.60 4.90 -0.23 1.96 0.11 -1.26 -5.10 120.40 116.18 3cdz s VAL 399 Ca -0.06 -0.01 -0.17 0.00 -2.93 0.00 0.00 61.98 58.81 3cdz s VAL 399 Cb 0.05 -3.15 0.07 0.00 -1.53 0.00 0.00 36.38 31.82 3cdz s VAL 399 CO 0.29 0.55 0.60 -1.48 -3.33 0.00 0.00 175.10 171.73 3cdz s LEU 400 N -0.39 -0.50 -0.37 2.54 2.34 -1.26 -4.80 118.68 116.24 3cdz s LEU 400 Ca 0.10 1.26 0.11 0.00 0.06 0.00 0.00 54.13 55.66 3cdz s LEU 400 Cb -0.12 2.04 0.40 0.00 -0.56 0.00 0.00 46.19 47.96 3cdz s LEU 400 CO 0.02 -0.22 1.46 0.00 -1.06 0.00 0.00 176.35 176.55 3cdz n ALA 401 N 3.63 2.14 -2.10 1.48 0.00 -1.26 -5.04 120.51 119.37 3cdz n ALA 401 Ca -0.18 -1.15 -0.24 0.00 0.00 0.00 0.00 53.44 51.86 3cdz n ALA 401 Cb 0.57 -0.90 0.03 0.00 0.00 0.00 0.00 19.45 19.15 3cdz n ALA 401 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3cdz s PRO 402 N 0.12 2.75 0.00 0.00 0.04 -1.26 -4.97 135.00 131.68 3cdz s PRO 402 Ca 0.15 -0.35 0.00 0.00 0.04 0.00 0.00 61.00 60.84 3cdz s PRO 402 Cb 0.43 -2.38 0.00 0.00 0.04 0.00 0.00 34.50 32.59 3cdz s PRO 402 CO -0.11 -0.68 0.00 -3.47 0.04 0.00 0.00 177.00 172.78 3cdz n ASP 403 N -2.45 0.00 -0.57 6.66 2.03 -1.26 -4.87 116.55 116.08 3cdz n ASP 403 Ca 0.05 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.43 3cdz n ASP 403 Cb 0.59 0.00 0.19 0.00 -0.72 0.00 0.00 41.12 41.17 3cdz n ASP 403 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 3cdz n ASP 404 N 0.00 3.16 0.10 1.67 3.85 -1.26 -4.56 116.55 119.52 3cdz n ASP 404 Ca 0.00 -2.71 0.09 0.00 -0.71 0.00 0.00 54.79 51.46 3cdz n ASP 404 Cb 0.00 -0.40 0.42 0.00 -1.35 0.00 0.00 41.12 39.80 3cdz n ASP 404 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.20 175.05 3cdz n ARG 405 N -0.48 0.12 -3.62 0.11 0.00 -1.26 -4.84 116.66 106.68 3cdz n ARG 405 Ca 0.16 0.49 -0.08 0.00 -0.00 0.00 0.00 57.85 58.41 3cdz n ARG 405 Cb 0.67 -1.79 0.03 0.00 0.00 0.00 0.00 32.46 31.37 3cdz n ARG 405 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 3cdz n SER 406 N -2.03 -2.17 0.11 6.15 7.64 -1.26 -4.92 113.62 117.13 3cdz n SER 406 Ca 0.01 -2.50 -0.04 0.00 1.01 0.00 0.00 58.87 57.35 3cdz n SER 406 Cb 0.11 3.62 0.09 0.00 -1.01 0.00 0.00 64.21 67.03 3cdz n SER 406 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 3cdz h TYR 407 N 1.94 0.14 -0.11 1.43 0.05 -1.94 -3.03 116.97 115.45 3cdz h TYR 407 Ca -0.32 -0.06 -0.13 0.00 0.05 0.00 0.00 58.73 58.27 3cdz h TYR 407 Cb 1.17 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.88 3cdz h TYR 407 CO 0.00 0.77 -0.51 1.57 -1.05 0.00 0.00 178.16 178.93 3cdz h LYS 408 N 0.07 0.29 -0.08 4.88 2.10 -1.95 -3.13 116.57 118.75 3cdz h LYS 408 Ca -0.01 -0.17 -0.01 0.00 -2.00 0.00 0.00 60.65 58.46 3cdz h LYS 408 Cb 1.24 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.58 3cdz h LYS 408 CO 0.10 0.74 0.02 0.77 -2.00 0.00 0.00 179.45 179.08 3cdz h SER 409 N 0.23 0.10 1.11 7.07 0.02 -1.84 -2.34 113.55 117.90 3cdz h SER 409 Ca 0.01 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 3cdz h SER 409 Cb 0.99 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.50 3cdz h SER 409 CO 0.08 0.11 -0.21 1.56 -1.14 0.00 0.00 176.83 177.23 3cdz h GLN 410 N 0.12 0.00 -7.04 3.45 4.20 -1.48 -3.41 115.11 110.94 3cdz h GLN 410 Ca 0.03 0.00 -0.51 0.00 0.06 0.00 0.00 58.65 58.23 3cdz h GLN 410 Cb 0.05 0.00 0.07 0.00 0.30 0.00 0.00 27.48 27.90 3cdz h GLN 410 CO -0.00 0.21 0.46 0.71 -0.67 0.00 0.00 178.83 179.54 3cdz s TYR 411 N -3.52 2.77 0.11 2.96 1.51 -0.88 -4.72 117.35 115.57 3cdz s TYR 411 Ca 0.02 1.54 0.00 0.00 -1.01 0.00 0.00 57.07 57.61 3cdz s TYR 411 Cb 0.09 -3.34 0.00 0.00 -0.11 0.00 0.00 41.96 38.60 3cdz s TYR 411 CO 0.64 -1.56 0.00 -0.11 -1.11 0.00 0.00 175.55 173.41 3cdz n LEU 412 N -0.89 -3.61 -3.47 -1.29 7.94 -0.73 -4.66 117.00 110.29 3cdz n LEU 412 Ca 0.09 1.23 -0.34 0.00 -1.11 0.00 0.00 56.01 55.88 3cdz n LEU 412 Cb 0.49 -1.12 0.03 0.00 0.53 0.00 0.00 43.42 43.35 3cdz n LEU 412 CO 0.45 -0.43 -0.26 0.59 -1.11 0.00 0.00 177.39 176.63 3cdz n ASN 413 N 0.26 -4.98 -3.10 1.96 3.02 -1.26 -4.30 115.26 106.86 3cdz n ASN 413 Ca 0.00 -0.36 -0.25 0.00 -0.03 0.00 0.00 54.58 53.94 3cdz n ASN 413 Cb 0.00 -1.50 -0.03 0.00 -0.61 0.00 0.00 39.78 37.64 3cdz n ASN 413 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3cdz n ASN 414 N -0.72 5.93 0.00 6.41 5.15 -1.26 -3.89 115.26 126.88 3cdz n ASN 414 Ca -0.14 -2.38 0.00 0.00 -0.60 0.00 0.00 54.58 51.46 3cdz n ASN 414 Cb 0.65 -1.22 0.00 0.00 -0.53 0.00 0.00 39.78 38.68 3cdz n ASN 414 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3cdz n GLY 415 N 3.59 2.16 0.06 8.20 0.00 -1.26 -4.92 105.19 113.02 3cdz n GLY 415 Ca 0.53 -0.16 -0.02 0.00 0.00 0.00 0.00 46.02 46.37 3cdz n GLY 415 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3cdz h PRO 416 N 0.00 -0.12 -6.57 1.61 0.11 -1.94 -3.48 132.00 121.61 3cdz h PRO 416 Ca 0.00 0.01 -0.53 0.00 0.11 0.00 0.00 66.00 65.59 3cdz h PRO 416 Cb 0.00 0.03 0.03 0.00 0.11 0.00 0.00 31.00 31.17 3cdz h PRO 416 CO 0.00 -0.08 0.76 -1.14 -0.21 0.00 0.00 178.00 177.33 3cdz s GLN 417 N -2.07 4.30 0.00 1.05 2.00 -1.25 -4.90 119.66 118.78 3cdz s GLN 417 Ca -0.02 2.15 0.00 0.00 -2.00 0.00 0.00 55.36 55.49 3cdz s GLN 417 Cb 0.00 -3.22 0.00 0.00 0.80 0.00 0.00 33.01 30.59 3cdz s GLN 417 CO 0.06 -0.47 0.00 -2.13 -0.50 0.00 0.00 175.29 172.25 3cdz n ARG 418 N 3.85 0.00 0.00 1.67 0.63 -1.26 -4.05 116.66 117.50 3cdz n ARG 418 Ca 0.12 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.05 3cdz n ARG 418 Cb 0.41 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.32 3cdz n ARG 418 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 3cdz n ILE 419 N 0.00 0.00 -1.75 5.15 -5.35 -1.26 -4.72 119.36 111.42 3cdz n ILE 419 Ca 0.00 0.00 -0.42 0.00 -0.27 0.00 0.00 62.75 62.06 3cdz n ILE 419 Cb 0.43 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.30 3cdz n ILE 419 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3cdz s GLY 420 N 0.00 1.26 -0.27 3.28 0.00 -1.26 -4.88 107.32 105.45 3cdz s GLY 420 Ca 0.00 1.55 -0.19 0.00 0.00 0.00 0.00 44.72 46.08 3cdz s GLY 420 CO 0.00 2.88 0.57 0.50 0.00 0.00 0.00 173.10 177.05 3cdz s ARG 421 N 1.35 4.05 -0.18 2.90 0.52 -1.26 -4.95 118.95 121.37 3cdz s ARG 421 Ca 0.75 0.39 -0.00 0.00 -0.52 0.00 0.00 55.73 56.35 3cdz s ARG 421 Cb -0.49 -3.67 0.01 0.00 0.52 0.00 0.00 34.95 31.32 3cdz s ARG 421 CO 0.32 -0.41 -0.15 0.21 0.02 0.00 0.00 175.30 175.29 3cdz s LYS 422 N 2.43 3.14 0.18 3.54 2.20 -1.26 -1.65 119.74 128.33 3cdz s LYS 422 Ca 0.24 -0.76 0.06 0.00 -0.36 0.00 0.00 55.97 55.14 3cdz s LYS 422 Cb -0.15 -2.68 -0.05 0.00 -1.51 0.00 0.00 37.83 33.44 3cdz s LYS 422 CO 0.09 -0.14 -0.11 0.71 -0.36 0.00 0.00 175.35 175.55 3cdz s TYR 423 N 1.18 1.51 -0.37 4.03 1.51 -0.04 -4.85 117.35 120.31 3cdz s TYR 423 Ca 0.02 -0.69 -0.17 0.00 -1.01 0.00 0.00 57.07 55.22 3cdz s TYR 423 Cb -0.14 -0.75 0.00 0.00 -0.11 0.00 0.00 41.96 40.97 3cdz s TYR 423 CO -0.07 0.20 0.44 0.21 -1.11 0.00 0.00 175.55 175.23 3cdz s LYS 424 N -3.71 3.43 0.45 -0.62 2.20 -1.26 0.18 119.74 120.40 3cdz s LYS 424 Ca 0.21 -0.43 0.06 0.00 -0.36 0.00 0.00 55.97 55.45 3cdz s LYS 424 Cb 0.01 -3.86 -0.03 0.00 -1.51 0.00 0.00 37.83 32.44 3cdz s LYS 424 CO 0.04 -0.68 0.20 0.15 -0.36 0.00 0.00 175.35 174.70 3cdz s LYS 425 N 2.21 2.23 -0.41 4.03 1.02 -1.14 -4.86 119.74 122.82 3cdz s LYS 425 Ca 0.15 -1.94 0.02 0.00 0.02 0.00 0.00 55.97 54.21 3cdz s LYS 425 Cb -0.16 -1.95 0.13 0.00 -0.52 0.00 0.00 37.83 35.32 3cdz s LYS 425 CO 0.13 -0.23 0.20 0.54 -0.92 0.00 0.00 175.35 175.07 3cdz s VAL 426 N -2.66 1.31 -0.08 3.17 0.11 0.55 -0.88 120.40 121.92 3cdz s VAL 426 Ca 0.36 -2.29 -0.04 0.00 -2.93 0.00 0.00 61.98 57.08 3cdz s VAL 426 Cb 0.03 -1.94 -0.04 0.00 -1.53 0.00 0.00 36.38 32.90 3cdz s VAL 426 CO 0.20 -0.84 0.09 0.00 -3.33 0.00 0.00 175.10 171.22 3cdz s ARG 427 N 0.65 3.21 0.24 1.54 1.04 -0.96 -3.22 118.95 121.45 3cdz s ARG 427 Ca 0.16 -0.30 -0.29 0.00 -1.04 0.00 0.00 55.73 54.25 3cdz s ARG 427 Cb -0.23 -2.99 -0.15 0.00 -2.04 0.00 0.00 34.95 29.54 3cdz s ARG 427 CO -0.05 0.72 0.91 1.19 -0.04 0.00 0.00 175.30 178.03 3cdz n PHE 428 N 1.80 0.79 -3.69 5.89 3.01 -1.25 -3.01 117.46 121.01 3cdz n PHE 428 Ca -0.18 0.78 -0.10 0.00 1.01 0.00 0.00 57.45 58.96 3cdz n PHE 428 Cb 0.54 -2.17 -0.10 0.00 -0.01 0.00 0.00 39.48 37.74 3cdz n PHE 428 CO 0.00 0.00 0.00 1.41 1.01 0.00 0.00 176.76 179.18 3cdz s MET 429 N -1.18 0.48 0.15 -1.08 1.75 0.15 -4.55 119.30 115.02 3cdz s MET 429 Ca 0.63 0.84 -0.10 0.00 -1.25 0.00 0.00 55.69 55.81 3cdz s MET 429 Cb -0.80 0.07 -0.06 0.00 2.84 0.00 0.00 34.83 36.87 3cdz s MET 429 CO 0.58 -0.14 0.48 0.00 -0.65 0.00 0.00 175.02 175.28 3cdz s ALA 430 N 1.20 3.65 0.48 4.11 0.00 -1.26 0.87 121.76 130.81 3cdz s ALA 430 Ca -0.08 -0.32 0.05 0.00 0.00 0.00 0.00 51.96 51.61 3cdz s ALA 430 Cb -0.07 -2.35 -0.02 0.00 0.00 0.00 0.00 23.12 20.68 3cdz s ALA 430 CO -0.11 0.54 0.20 0.71 0.00 0.00 0.00 175.76 177.10 3cdz s TYR 431 N -1.60 2.12 -0.03 0.00 2.02 0.31 -3.64 117.35 116.52 3cdz s TYR 431 Ca 0.40 -0.76 -0.22 0.00 -0.37 0.00 0.00 57.07 56.12 3cdz s TYR 431 Cb -0.13 -1.85 -0.25 0.00 -0.40 0.00 0.00 41.96 39.33 3cdz s TYR 431 CO 0.20 0.00 1.02 1.15 -1.57 0.00 0.00 175.55 176.36 3cdz h THR 432 N 1.21 1.51 -3.22 -0.71 2.02 -1.81 -3.38 112.91 108.52 3cdz h THR 432 Ca -0.41 -2.12 -0.03 0.00 0.77 0.00 0.00 66.41 64.62 3cdz h THR 432 Cb 1.28 2.80 -0.04 0.00 -1.74 0.00 0.00 68.15 70.46 3cdz h THR 432 CO 0.67 0.60 0.15 1.51 0.37 0.00 0.00 175.52 178.82 3cdz s ASP 433 N -6.59 0.02 0.31 4.18 3.84 -1.26 -4.86 116.67 112.32 3cdz s ASP 433 Ca -0.15 -1.00 0.06 0.00 -0.00 0.00 0.00 52.55 51.47 3cdz s ASP 433 Cb 0.02 0.76 0.85 0.00 -1.38 0.00 0.00 42.92 43.17 3cdz s ASP 433 CO 0.79 -1.47 1.62 -0.33 -0.00 0.00 0.00 175.17 175.78 3cdz h GLU 434 N 2.05 0.15 -5.40 2.11 4.39 -1.98 -3.05 114.58 112.84 3cdz h GLU 434 Ca -0.27 -0.01 -0.05 0.00 0.34 0.00 0.00 59.36 59.37 3cdz h GLU 434 Cb 1.25 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.86 3cdz h GLU 434 CO 0.34 0.10 0.13 -0.08 -1.16 0.00 0.00 179.01 178.34 3cdz s THR 435 N -5.86 3.08 -0.60 1.13 -1.32 -1.26 -4.82 115.64 105.99 3cdz s THR 435 Ca -0.12 -0.07 -0.05 0.00 -1.21 0.00 0.00 61.69 60.25 3cdz s THR 435 Cb 0.28 -3.19 -0.08 0.00 -1.51 0.00 0.00 72.50 68.00 3cdz s THR 435 CO 0.78 -0.17 2.07 0.49 -2.21 0.00 0.00 174.62 175.59 3cdz n PHE 436 N 18.00 0.89 -0.05 9.09 3.01 -1.15 -4.14 117.46 143.10 3cdz n PHE 436 Ca 0.46 -1.55 -0.10 0.00 1.01 0.00 0.00 57.45 57.27 3cdz n PHE 436 Cb 0.44 -1.43 -0.03 0.00 -0.01 0.00 0.00 39.48 38.44 3cdz n PHE 436 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 3cdz n LYS 437 N 3.79 0.31 -1.99 -1.08 4.01 -1.26 -4.96 118.16 116.98 3cdz n LYS 437 Ca 0.36 0.13 -0.41 0.00 -0.51 0.00 0.00 58.31 57.88 3cdz n LYS 437 Cb 0.23 -1.03 -0.03 0.00 -0.51 0.00 0.00 35.03 33.69 3cdz n LYS 437 CO 0.00 0.00 0.00 0.99 -1.11 0.00 0.00 177.40 177.28 3cdz s THR 438 N -2.41 3.42 -0.26 -0.18 2.01 -1.26 -4.92 115.64 112.05 3cdz s THR 438 Ca -0.19 0.39 -0.41 0.00 0.31 0.00 0.00 61.69 61.79 3cdz s THR 438 Cb 0.05 -3.69 -0.17 0.00 0.01 0.00 0.00 72.50 68.69 3cdz s THR 438 CO 0.25 -0.52 1.58 -1.14 -0.69 0.00 0.00 174.62 174.11 3cdz n ARG 439 N 8.65 0.74 -2.66 4.92 3.00 -1.26 -3.20 116.66 126.86 3cdz n ARG 439 Ca 0.23 0.27 -0.43 0.00 -0.00 0.00 0.00 57.85 57.92 3cdz n ARG 439 Cb 0.49 -1.88 -0.02 0.00 0.00 0.00 0.00 32.46 31.04 3cdz n ARG 439 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 3cdz s GLU 440 N 2.62 4.11 -0.04 -0.14 0.41 -1.24 -4.93 118.70 119.49 3cdz s GLU 440 Ca 0.97 1.12 -0.39 0.00 -0.41 0.00 0.00 54.97 56.27 3cdz s GLU 440 Cb -1.19 -3.71 -0.17 0.00 -1.78 0.00 0.00 34.13 27.28 3cdz s GLU 440 CO 0.66 -0.83 1.42 0.00 -0.49 0.00 0.00 175.26 176.03 3cdz n ALA 441 N 6.71 -1.16 -1.99 5.21 0.00 -1.26 -4.89 120.51 123.13 3cdz n ALA 441 Ca 0.12 0.50 -0.27 0.00 0.00 0.00 0.00 53.44 53.79 3cdz n ALA 441 Cb 0.47 -2.06 0.05 0.00 0.00 0.00 0.00 19.45 17.91 3cdz n ALA 441 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3cdz s ILE 442 N 1.30 2.95 -0.81 0.00 1.09 -1.26 -5.04 121.20 119.43 3cdz s ILE 442 Ca 0.90 -0.08 0.02 0.00 -1.10 0.00 0.00 60.65 60.38 3cdz s ILE 442 Cb -1.05 -3.23 0.24 0.00 -1.06 0.00 0.00 42.46 37.36 3cdz s ILE 442 CO 0.55 -0.25 0.88 0.00 -0.10 0.00 0.00 174.94 176.02 3cdz n GLN 443 N -2.80 2.89 0.00 2.79 1.13 -1.26 -4.96 117.38 115.17 3cdz n GLN 443 Ca 0.06 -4.58 0.00 0.00 -1.94 0.00 0.00 57.00 50.55 3cdz n GLN 443 Cb 0.59 -2.36 0.00 0.00 0.11 0.00 0.00 30.24 28.58 3cdz n GLN 443 CO 0.00 0.00 0.00 -2.39 -1.44 0.00 0.00 177.06 173.23 3cdz n HIS 444 N 1.48 0.00 -0.09 1.08 -0.00 -1.26 0.16 115.22 116.59 3cdz n HIS 444 Ca 0.26 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.88 3cdz n HIS 444 Cb 0.38 0.00 -0.16 0.00 -0.00 0.00 0.00 29.99 30.21 3cdz n HIS 444 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 3cdz n GLU 445 N -0.41 0.68 0.00 -1.40 -0.00 -1.26 -4.41 120.64 113.84 3cdz n GLU 445 Ca 0.00 0.03 0.15 0.00 -0.00 0.00 0.00 57.16 57.34 3cdz n GLU 445 Cb 0.00 -1.55 0.73 0.00 -0.00 0.00 0.00 31.44 30.62 3cdz n GLU 445 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 3cdz n SER 446 N -2.80 0.59 0.00 -1.84 3.41 0.43 -4.94 113.62 108.47 3cdz n SER 446 Ca -0.31 -1.05 0.00 0.00 -0.26 0.00 0.00 58.87 57.25 3cdz n SER 446 Cb 1.14 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 65.07 3cdz n SER 446 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3cdz n GLY 447 N 1.12 1.95 0.23 5.00 0.00 -1.21 0.56 105.19 112.85 3cdz n GLY 447 Ca 0.20 0.50 0.10 0.00 0.00 0.00 0.00 46.02 46.82 3cdz n GLY 447 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3cdz h ILE 448 N 0.00 0.70 -3.74 -0.61 2.10 -1.89 -3.47 117.51 110.60 3cdz h ILE 448 Ca 0.00 -0.91 -0.56 0.00 1.08 0.00 0.00 64.86 64.47 3cdz h ILE 448 Cb 0.00 1.57 0.14 0.00 -1.09 0.00 0.00 36.82 37.44 3cdz h ILE 448 CO 0.00 0.21 0.49 0.18 -1.08 0.00 0.00 178.15 177.95 3cdz n LEU 449 N -3.63 4.58 -4.64 2.19 4.77 0.19 -4.68 117.00 115.78 3cdz n LEU 449 Ca -0.01 1.02 -0.29 0.00 -0.03 0.00 0.00 56.01 56.71 3cdz n LEU 449 Cb 0.34 -1.52 0.19 0.00 -2.33 0.00 0.00 43.42 40.11 3cdz n LEU 449 CO 0.33 -0.76 0.62 -0.83 -1.33 0.00 0.00 177.39 175.42 3cdz s GLY 450 N -0.76 1.56 0.49 -0.72 0.00 0.28 -4.92 107.32 103.24 3cdz s GLY 450 Ca 0.67 -0.40 -0.24 0.00 0.00 0.00 0.00 44.72 44.75 3cdz s GLY 450 CO 0.53 0.26 1.35 -1.55 0.00 0.00 0.00 173.10 173.69 3cdz n PRO 451 N -4.35 1.91 -2.18 2.90 -0.04 -1.26 -4.38 135.00 127.61 3cdz n PRO 451 Ca 0.05 0.69 -0.41 0.00 -0.04 0.00 0.00 63.50 63.79 3cdz n PRO 451 Cb 0.57 -2.53 -0.03 0.00 -0.04 0.00 0.00 33.50 31.47 3cdz n PRO 451 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3cdz s LEU 452 N -2.69 3.37 0.06 1.53 1.98 -1.26 -4.29 118.68 117.38 3cdz s LEU 452 Ca 0.66 0.50 -0.20 0.00 -2.89 0.00 0.00 54.13 52.19 3cdz s LEU 452 Cb -0.45 -2.93 -0.06 0.00 0.66 0.00 0.00 46.19 43.40 3cdz s LEU 452 CO 0.54 -1.97 0.60 -0.76 -1.89 0.00 0.00 176.35 172.86 3cdz s LEU 453 N 7.40 4.51 -0.09 -0.68 1.02 0.80 -5.00 118.68 126.64 3cdz s LEU 453 Ca 0.63 1.28 -0.09 0.00 0.02 0.00 0.00 54.13 55.97 3cdz s LEU 453 Cb -0.14 -2.94 0.03 0.00 0.02 0.00 0.00 46.19 43.16 3cdz s LEU 453 CO 0.25 0.23 0.26 -0.47 0.02 0.00 0.00 176.35 176.64 3cdz s TYR 454 N -0.91 -0.28 -0.30 0.29 5.04 -1.26 0.10 117.35 120.03 3cdz s TYR 454 Ca 0.30 0.68 -0.15 0.00 -2.44 0.00 0.00 57.07 55.46 3cdz s TYR 454 Cb -0.20 0.10 0.16 0.00 0.35 0.00 0.00 41.96 42.37 3cdz s TYR 454 CO 0.19 -0.15 0.97 0.20 -1.34 0.00 0.00 175.55 175.43 3cdz s GLY 455 N 0.07 -0.20 0.89 8.97 0.00 -0.85 -4.96 107.32 111.23 3cdz s GLY 455 Ca -0.01 3.02 -0.12 0.00 0.00 0.00 0.00 44.72 47.62 3cdz s GLY 455 CO 0.00 3.20 1.10 -0.54 0.00 0.00 0.00 173.10 176.87 3cdz s GLU 456 N 2.42 1.34 0.28 2.90 2.02 -1.26 -3.15 118.70 123.25 3cdz s GLU 456 Ca -0.03 0.67 -0.30 0.00 0.02 0.00 0.00 54.97 55.32 3cdz s GLU 456 Cb -0.06 -1.83 -0.12 0.00 0.10 0.00 0.00 34.13 32.22 3cdz s GLU 456 CO -0.17 -2.14 1.53 0.28 0.02 0.00 0.00 175.26 174.77 3cdz n VAL 457 N -3.79 1.02 0.00 2.63 0.31 0.12 -2.49 118.33 116.14 3cdz n VAL 457 Ca 0.07 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 3cdz n VAL 457 Cb 0.56 -1.80 0.00 0.00 -0.91 0.00 0.00 33.84 31.69 3cdz n VAL 457 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3cdz n GLY 458 N 2.13 1.44 3.97 2.92 0.00 0.52 -4.76 105.19 111.41 3cdz n GLY 458 Ca 0.09 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 3cdz n GLY 458 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cdz s ASP 459 N -1.63 4.94 -0.06 1.61 -0.00 -1.04 -4.69 116.67 115.80 3cdz s ASP 459 Ca 0.00 -0.05 -0.00 0.00 -0.00 0.00 0.00 52.55 52.49 3cdz s ASP 459 Cb 0.00 -0.65 0.03 0.00 -0.00 0.00 0.00 42.92 42.29 3cdz s ASP 459 CO 0.00 -1.42 -0.02 0.42 -0.00 0.00 0.00 175.17 174.15 3cdz s THR 460 N -2.94 0.44 -0.41 -1.27 -4.23 -1.21 -0.97 115.64 105.05 3cdz s THR 460 Ca 0.60 0.02 -0.15 0.00 -1.18 0.00 0.00 61.69 60.98 3cdz s THR 460 Cb -0.09 -0.54 0.02 0.00 1.34 0.00 0.00 72.50 73.23 3cdz s THR 460 CO 0.41 0.24 0.33 -0.76 -0.54 0.00 0.00 174.62 174.30 3cdz s LEU 461 N 1.50 5.00 -0.71 4.79 1.02 0.73 -0.96 118.68 130.06 3cdz s LEU 461 Ca -0.02 -0.80 -0.21 0.00 0.02 0.00 0.00 54.13 53.12 3cdz s LEU 461 Cb -0.13 -2.22 0.09 0.00 0.02 0.00 0.00 46.19 43.95 3cdz s LEU 461 CO -0.03 -0.47 0.96 -0.76 0.02 0.00 0.00 176.35 176.07 3cdz s LEU 462 N 1.81 4.70 -0.44 1.79 1.43 -0.52 -0.31 118.68 127.14 3cdz s LEU 462 Ca 0.07 -1.30 -0.08 0.00 -1.03 0.00 0.00 54.13 51.79 3cdz s LEU 462 Cb -0.18 -2.39 0.10 0.00 0.03 0.00 0.00 46.19 43.74 3cdz s LEU 462 CO 0.11 -1.30 0.29 -0.51 0.23 0.00 0.00 176.35 175.16 3cdz s ILE 463 N 3.53 4.09 -0.37 -0.59 -1.16 -0.45 -2.10 121.20 124.15 3cdz s ILE 463 Ca 0.23 -1.65 -0.15 0.00 -0.51 0.00 0.00 60.65 58.57 3cdz s ILE 463 Cb -0.15 -3.62 -0.00 0.00 0.61 0.00 0.00 42.46 39.30 3cdz s ILE 463 CO 0.05 -0.64 0.33 -0.63 -2.81 0.00 0.00 174.94 171.24 3cdz s ILE 464 N 1.36 5.20 -0.20 2.00 1.01 0.19 -1.51 121.20 129.25 3cdz s ILE 464 Ca 0.05 -0.23 0.01 0.00 0.00 0.00 0.00 60.65 60.48 3cdz s ILE 464 Cb -0.24 -3.85 0.03 0.00 0.01 0.00 0.00 42.46 38.41 3cdz s ILE 464 CO 0.00 -0.17 -0.16 0.12 0.00 0.00 0.00 174.94 174.74 3cdz s PHE 465 N 1.89 2.77 -0.12 3.97 5.36 -0.46 -1.94 117.98 129.45 3cdz s PHE 465 Ca 0.09 -1.75 -0.06 0.00 -0.96 0.00 0.00 56.93 54.25 3cdz s PHE 465 Cb -0.17 -1.84 -0.04 0.00 -0.34 0.00 0.00 43.02 40.63 3cdz s PHE 465 CO 0.11 -0.80 0.09 0.21 -1.46 0.00 0.00 175.22 173.38 3cdz s LYS 466 N 1.29 3.41 -0.09 10.12 2.20 -0.29 -1.28 119.74 135.10 3cdz s LYS 466 Ca 0.01 -0.24 -0.18 0.00 -0.36 0.00 0.00 55.97 55.20 3cdz s LYS 466 Cb -0.15 -3.09 -0.04 0.00 -1.51 0.00 0.00 37.83 33.03 3cdz s LYS 466 CO -0.10 0.67 0.48 1.21 -0.36 0.00 0.00 175.35 177.25 3cdz s ASN 467 N -0.75 6.72 -0.05 1.43 3.84 -1.20 -0.85 114.94 124.08 3cdz s ASN 467 Ca 0.13 0.86 0.20 0.00 0.21 0.00 0.00 52.86 54.26 3cdz s ASN 467 Cb -0.12 -2.29 0.39 0.00 -0.55 0.00 0.00 41.25 38.68 3cdz s ASN 467 CO 0.03 0.05 1.17 0.00 -2.79 0.00 0.00 177.10 175.55 3cdz n GLN 468 N 3.37 0.40 -5.04 0.43 6.02 -0.16 -2.57 117.38 119.83 3cdz n GLN 468 Ca -0.08 -2.23 -0.28 0.00 -0.01 0.00 0.00 57.00 54.40 3cdz n GLN 468 Cb 0.52 -0.46 -0.16 0.00 1.02 0.00 0.00 30.24 31.16 3cdz n GLN 468 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3cdz s ALA 469 N -0.82 1.78 0.00 -1.58 0.00 -1.19 -4.36 121.76 115.58 3cdz s ALA 469 Ca 0.32 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.39 3cdz s ALA 469 Cb 0.35 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.97 3cdz s ALA 469 CO -0.13 0.40 0.98 -1.13 0.00 0.00 0.00 175.76 175.88 3cdz n SER 470 N 2.75 0.00 -4.57 0.00 3.41 -1.26 -4.42 113.62 109.54 3cdz n SER 470 Ca -0.16 0.98 -0.39 0.00 -0.26 0.00 0.00 58.87 59.04 3cdz n SER 470 Cb 0.53 -0.48 -0.03 0.00 -0.26 0.00 0.00 64.21 63.97 3cdz n SER 470 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 3cdz s ARG 471 N -2.92 2.61 0.43 4.33 6.06 -1.26 -3.94 118.95 124.25 3cdz s ARG 471 Ca 0.00 1.31 -0.26 0.00 -2.50 0.00 0.00 55.73 54.28 3cdz s ARG 471 Cb 0.00 -4.43 -0.09 0.00 0.06 0.00 0.00 34.95 30.49 3cdz s ARG 471 CO 0.00 -2.71 1.41 -1.25 -2.50 0.00 0.00 175.30 170.25 3cdz s PRO 472 N 7.20 3.81 0.03 5.12 0.04 -1.26 -4.98 135.00 144.97 3cdz s PRO 472 Ca 0.87 2.39 0.01 0.00 0.04 0.00 0.00 61.00 64.31 3cdz s PRO 472 Cb -0.19 -2.73 -0.00 0.00 0.04 0.00 0.00 34.50 31.61 3cdz s PRO 472 CO 0.27 -0.70 0.02 0.66 0.04 0.00 0.00 177.00 177.29 3cdz n TYR 473 N -0.01 -0.03 -1.97 0.56 4.02 -1.21 -4.89 117.16 113.63 3cdz n TYR 473 Ca 0.04 -0.25 0.00 0.00 -0.01 0.00 0.00 57.90 57.68 3cdz n TYR 473 Cb 0.42 0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.75 3cdz n TYR 473 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 3cdz n ASN 474 N -2.41 0.00 -3.66 7.72 0.23 -1.26 -4.35 115.26 111.53 3cdz n ASN 474 Ca 0.00 0.00 -0.09 0.00 -0.53 0.00 0.00 54.58 53.96 3cdz n ASN 474 Cb 0.06 0.00 -0.10 0.00 -2.08 0.00 0.00 39.78 37.66 3cdz n ASN 474 CO 0.00 0.00 0.00 0.27 -0.93 0.00 0.00 177.26 176.60 3cdz s ILE 475 N 0.25 -0.53 -0.01 1.53 -4.36 -1.26 -4.48 121.20 112.33 3cdz s ILE 475 Ca 0.00 0.16 -0.00 0.00 -0.26 0.00 0.00 60.65 60.55 3cdz s ILE 475 Cb 0.00 -0.65 0.02 0.00 1.25 0.00 0.00 42.46 43.08 3cdz s ILE 475 CO 0.00 0.07 0.02 -0.47 0.24 0.00 0.00 174.94 174.80 3cdz s TYR 476 N 2.40 0.00 -0.28 1.37 5.04 -1.12 -4.92 117.35 119.85 3cdz s TYR 476 Ca -0.03 0.09 -0.20 0.00 -2.44 0.00 0.00 57.07 54.50 3cdz s TYR 476 Cb -0.11 -0.11 -0.02 0.00 0.35 0.00 0.00 41.96 42.07 3cdz s TYR 476 CO -0.13 -0.05 0.60 -1.25 -1.34 0.00 0.00 175.55 173.39 3cdz s PRO 477 N 0.55 3.99 -0.46 4.97 0.04 -1.26 -3.02 135.00 139.80 3cdz s PRO 477 Ca -0.05 0.36 -0.28 0.00 0.04 0.00 0.00 61.00 61.07 3cdz s PRO 477 Cb -0.07 -3.69 0.01 0.00 0.04 0.00 0.00 34.50 30.79 3cdz s PRO 477 CO -0.02 -0.48 1.46 -1.58 0.04 0.00 0.00 177.00 176.42 3cdz s HIS 478 N 2.51 2.28 0.00 0.56 2.46 -0.62 -4.04 115.29 118.45 3cdz s HIS 478 Ca 0.24 0.61 0.00 0.00 0.47 0.00 0.00 55.06 56.39 3cdz s HIS 478 Cb -0.15 -4.32 0.00 0.00 -0.13 0.00 0.00 32.58 27.98 3cdz s HIS 478 CO 0.10 -2.07 0.00 0.41 -2.47 0.00 0.00 174.74 170.72 3cdz n GLY 479 N 5.20 -0.23 3.84 1.59 0.00 -1.26 -3.45 105.19 110.87 3cdz n GLY 479 Ca 0.16 0.18 -0.32 0.00 0.00 0.00 0.00 46.02 46.04 3cdz n GLY 479 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cdz s ILE 480 N 0.00 4.39 -0.03 -0.61 1.09 -1.26 -4.84 121.20 119.95 3cdz s ILE 480 Ca 0.00 1.02 0.07 0.00 -1.10 0.00 0.00 60.65 60.65 3cdz s ILE 480 Cb 0.00 -3.66 -0.11 0.00 -1.06 0.00 0.00 42.46 37.63 3cdz s ILE 480 CO 0.00 -0.78 0.12 0.35 -0.10 0.00 0.00 174.94 174.54 3cdz n THR 481 N -2.07 0.15 -2.66 2.92 -2.24 -1.26 -4.78 114.28 104.34 3cdz n THR 481 Ca 0.07 -0.21 -0.43 0.00 -2.27 0.00 0.00 64.05 61.21 3cdz n THR 481 Cb 0.54 -0.03 0.01 0.00 -2.10 0.00 0.00 70.33 68.74 3cdz n THR 481 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3cdz n ASP 482 N -1.92 5.54 -4.16 3.42 4.64 -1.26 -4.94 116.55 117.87 3cdz n ASP 482 Ca -0.05 -3.19 -0.35 0.00 -1.38 0.00 0.00 54.79 49.83 3cdz n ASP 482 Cb 0.37 -1.42 -0.13 0.00 -1.04 0.00 0.00 41.12 38.90 3cdz n ASP 482 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3cdz s VAL 483 N -0.57 3.08 0.01 5.18 0.11 -1.26 -1.97 120.40 124.99 3cdz s VAL 483 Ca 0.37 -1.60 0.02 0.00 -2.93 0.00 0.00 61.98 57.84 3cdz s VAL 483 Cb 0.06 -2.88 -0.01 0.00 -1.53 0.00 0.00 36.38 32.01 3cdz s VAL 483 CO 0.03 -0.29 -0.06 -0.60 -3.33 0.00 0.00 175.10 170.85 3cdz s ARG 484 N 1.21 0.43 0.37 1.54 3.00 -0.31 -4.94 118.95 120.25 3cdz s ARG 484 Ca -0.01 -0.39 -0.27 0.00 -1.00 0.00 0.00 55.73 54.06 3cdz s ARG 484 Cb -0.20 -0.33 -0.11 0.00 0.00 0.00 0.00 34.95 34.30 3cdz s ARG 484 CO -0.02 0.08 1.33 -0.35 0.00 0.00 0.00 175.30 176.34 3cdz n PRO 485 N 2.40 2.22 0.00 5.12 -0.04 -1.26 -0.38 135.00 143.06 3cdz n PRO 485 Ca -0.17 0.78 0.00 0.00 -0.04 0.00 0.00 63.50 64.07 3cdz n PRO 485 Cb 0.57 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 3cdz n PRO 485 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3cdz n LEU 486 N 0.57 0.00 0.04 1.53 -0.00 0.11 -3.22 117.00 116.03 3cdz n LEU 486 Ca 0.04 0.80 -0.12 0.00 -0.00 0.00 0.00 56.01 56.73 3cdz n LEU 486 Cb 0.37 -0.40 -0.14 0.00 -0.00 0.00 0.00 43.42 43.26 3cdz n LEU 486 CO 0.62 -0.40 -0.28 1.88 -0.00 0.00 0.00 177.39 179.21 3cdz h TYR 487 N 0.00 0.23 -1.53 1.96 0.05 -1.90 -3.46 116.97 112.33 3cdz h TYR 487 Ca 0.00 -0.17 -0.61 0.00 0.05 0.00 0.00 58.73 58.00 3cdz h TYR 487 Cb 0.00 -0.01 -0.11 0.00 1.01 0.00 0.00 36.73 37.62 3cdz h TYR 487 CO -0.75 1.21 -0.55 0.45 -1.05 0.00 0.00 178.16 177.47 3cdz s SER 488 N -6.69 4.11 -0.58 3.88 0.15 -1.20 -5.02 113.70 108.35 3cdz s SER 488 Ca -0.06 -1.28 0.00 0.00 0.70 0.00 0.00 55.95 55.31 3cdz s SER 488 Cb 0.08 -0.35 0.46 0.00 -1.71 0.00 0.00 66.02 64.49 3cdz s SER 488 CO 0.84 -0.52 1.86 -1.14 1.20 0.00 0.00 173.24 175.47 3cdz n ARG 489 N -1.10 2.86 -1.48 5.44 0.63 -1.26 -4.16 116.66 117.59 3cdz n ARG 489 Ca -0.04 -3.46 -0.30 0.00 -0.92 0.00 0.00 57.85 53.12 3cdz n ARG 489 Cb 0.66 -2.28 0.21 0.00 0.45 0.00 0.00 32.46 31.50 3cdz n ARG 489 CO 0.00 0.00 0.00 -0.98 -2.51 0.00 0.00 177.63 174.14 3cdz s ARG 490 N -3.77 -0.35 -0.08 -0.14 1.70 -1.26 -5.07 118.95 109.98 3cdz s ARG 490 Ca 0.62 -0.23 0.00 0.00 -0.47 0.00 0.00 55.73 55.65 3cdz s ARG 490 Cb 0.49 -1.71 0.02 0.00 -0.57 0.00 0.00 34.95 33.18 3cdz s ARG 490 CO 0.00 -3.10 -0.06 -0.51 -1.08 0.00 0.00 175.30 170.55 3cdz s LEU 491 N -6.45 1.19 -0.40 -1.89 1.02 -1.26 -4.84 118.68 106.06 3cdz s LEU 491 Ca 0.72 -0.23 -0.04 0.00 0.02 0.00 0.00 54.13 54.61 3cdz s LEU 491 Cb -0.07 -0.68 -0.14 0.00 0.02 0.00 0.00 46.19 45.32 3cdz s LEU 491 CO 0.55 -0.09 1.21 -2.65 0.02 0.00 0.00 176.35 175.38 3cdz n PRO 492 N 4.57 0.00 0.00 1.29 -0.02 -1.26 -3.12 135.00 136.46 3cdz n PRO 492 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.32 3cdz n PRO 492 Cb 0.51 -0.75 0.00 0.00 -0.02 0.00 0.00 33.50 33.24 3cdz n PRO 492 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3cdz n LYS 493 N 3.77 0.00 0.00 -0.52 4.76 -1.26 -2.97 118.16 121.94 3cdz n LYS 493 Ca 0.27 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.71 3cdz n LYS 493 Cb 0.23 -0.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.93 3cdz n LYS 493 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3cdz n GLY 494 N -0.05 0.04 3.88 0.72 0.00 -1.18 -5.15 105.19 103.45 3cdz n GLY 494 Ca 0.00 -0.02 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 3cdz n GLY 494 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3cdz s VAL 495 N -1.00 4.80 0.22 1.61 -7.23 -1.16 -5.02 120.40 112.63 3cdz s VAL 495 Ca 0.00 0.56 0.15 0.00 -1.81 0.00 0.00 61.98 60.87 3cdz s VAL 495 Cb 0.00 -3.77 0.06 0.00 0.56 0.00 0.00 36.38 33.22 3cdz s VAL 495 CO 0.00 -0.65 1.68 0.11 -0.31 0.00 0.00 175.10 175.92 3cdz h LYS 496 N 0.88 0.00 -1.09 4.82 1.79 -1.96 -3.42 116.57 117.58 3cdz h LYS 496 Ca -0.47 0.00 0.19 0.00 -2.18 0.00 0.00 60.65 58.19 3cdz h LYS 496 Cb 1.19 0.00 -0.32 0.00 -1.58 0.00 0.00 32.23 31.52 3cdz h LYS 496 CO 0.63 0.49 0.87 -3.38 -1.08 0.00 0.00 179.45 176.98 3cdz s HIS 497 N -3.62 -0.07 0.27 -1.35 -3.43 -1.26 -5.08 115.29 100.74 3cdz s HIS 497 Ca -0.01 0.17 0.21 0.00 -0.80 0.00 0.00 55.06 54.63 3cdz s HIS 497 Cb 0.12 0.48 0.91 0.00 -1.43 0.00 0.00 32.58 32.66 3cdz s HIS 497 CO 0.72 -0.04 0.93 1.28 -2.00 0.00 0.00 174.74 175.64 3cdz n LEU 498 N 1.53 0.11 -0.82 5.38 4.32 -1.26 -0.65 117.00 125.61 3cdz n LEU 498 Ca -0.10 0.80 0.00 0.00 -0.02 0.00 0.00 56.01 56.70 3cdz n LEU 498 Cb 0.57 -0.40 0.00 0.00 -1.62 0.00 0.00 43.42 41.97 3cdz n LEU 498 CO 0.02 -0.87 0.25 2.29 -1.22 0.00 0.00 177.39 177.86 3cdz n LYS 499 N -3.79 0.62 0.00 3.23 2.85 -1.26 -4.21 118.16 115.61 3cdz n LYS 499 Ca 0.24 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.50 3cdz n LYS 499 Cb 0.97 -1.23 0.00 0.00 -0.65 0.00 0.00 35.03 34.12 3cdz n LYS 499 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3cdz n ASP 500 N 0.51 0.00 0.00 -5.58 10.43 0.17 -4.65 116.55 117.43 3cdz n ASP 500 Ca 0.00 0.08 0.00 0.00 2.57 0.00 0.00 54.79 57.44 3cdz n ASP 500 Cb 0.25 -0.28 0.00 0.00 1.84 0.00 0.00 41.12 42.94 3cdz n ASP 500 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 3cdz n PHE 501 N -1.86 0.00 -0.48 1.24 3.72 -1.26 -4.61 117.46 114.21 3cdz n PHE 501 Ca 0.00 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.10 3cdz n PHE 501 Cb 0.00 0.00 0.28 0.00 -0.94 0.00 0.00 39.48 38.82 3cdz n PHE 501 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 3cdz s PRO 502 N -0.16 -2.33 -0.11 -1.08 0.02 -1.26 -4.86 135.00 125.23 3cdz s PRO 502 Ca 0.00 0.28 -0.08 0.00 0.02 0.00 0.00 61.00 61.23 3cdz s PRO 502 Cb 0.00 -1.44 0.03 0.00 0.02 0.00 0.00 34.50 33.11 3cdz s PRO 502 CO 0.00 -4.51 0.15 -0.89 -0.33 0.00 0.00 177.00 171.42 3cdz n ILE 503 N -5.40-10.31 -2.51 2.83 5.41 -1.26 -4.42 119.36 103.71 3cdz n ILE 503 Ca 0.10 2.10 -0.24 0.00 1.00 0.00 0.00 62.75 65.72 3cdz n ILE 503 Cb 0.59 -5.66 0.10 0.00 -0.71 0.00 0.00 39.64 33.96 3cdz n ILE 503 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3cdz s LEU 504 N -0.47 3.00 0.32 1.39 1.43 -1.26 -3.28 118.68 119.80 3cdz s LEU 504 Ca -0.18 -0.17 -0.28 0.00 -1.03 0.00 0.00 54.13 52.48 3cdz s LEU 504 Cb 0.01 -2.29 -0.13 0.00 0.03 0.00 0.00 46.19 43.81 3cdz s LEU 504 CO 0.47 -1.76 1.17 -0.81 0.23 0.00 0.00 176.35 175.65 3cdz n PRO 505 N -2.82 1.79 0.00 1.29 -0.04 -1.25 -3.48 135.00 130.49 3cdz n PRO 505 Ca 0.13 0.63 0.00 0.00 -0.04 0.00 0.00 63.50 64.22 3cdz n PRO 505 Cb 0.60 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.94 3cdz n PRO 505 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3cdz n GLY 506 N 0.96 2.10 3.75 0.55 0.00 -1.06 -5.00 105.19 106.48 3cdz n GLY 506 Ca 0.07 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.40 3cdz n GLY 506 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3cdz s GLU 507 N 0.00 3.00 0.04 1.61 -1.05 -1.23 -4.53 118.70 116.54 3cdz s GLU 507 Ca 0.00 2.01 0.07 0.00 -0.15 0.00 0.00 54.97 56.91 3cdz s GLU 507 Cb 0.00 -2.06 -0.03 0.00 -0.44 0.00 0.00 34.13 31.60 3cdz s GLU 507 CO 0.00 -1.24 -0.19 0.96 0.95 0.00 0.00 175.26 175.74 3cdz s ILE 508 N -1.44 2.68 -0.06 1.83 -4.36 -1.26 -3.28 121.20 115.32 3cdz s ILE 508 Ca 0.76 -1.21 0.03 0.00 -0.26 0.00 0.00 60.65 59.96 3cdz s ILE 508 Cb -0.35 -2.11 0.01 0.00 1.25 0.00 0.00 42.46 41.25 3cdz s ILE 508 CO 0.40 0.35 -0.13 0.12 0.24 0.00 0.00 174.94 175.91 3cdz s PHE 509 N -0.90 1.50 -0.42 1.37 2.19 -0.41 -4.97 117.98 116.35 3cdz s PHE 509 Ca 0.14 -0.52 -0.19 0.00 0.33 0.00 0.00 56.93 56.69 3cdz s PHE 509 Cb -0.10 -1.07 0.02 0.00 -1.31 0.00 0.00 43.02 40.55 3cdz s PHE 509 CO 0.05 -0.24 0.56 0.15 1.83 0.00 0.00 175.22 177.56 3cdz s LYS 510 N 0.49 3.27 0.05 10.12 1.02 -1.26 -1.35 119.74 132.07 3cdz s LYS 510 Ca -0.12 -0.47 -0.00 0.00 0.02 0.00 0.00 55.97 55.40 3cdz s LYS 510 Cb -0.14 -3.94 -0.04 0.00 -0.52 0.00 0.00 37.83 33.19 3cdz s LYS 510 CO 0.03 -0.91 0.20 0.71 -0.92 0.00 0.00 175.35 174.46 3cdz s TYR 511 N 2.54 3.51 -0.20 3.18 1.51 -0.57 0.05 117.35 127.37 3cdz s TYR 511 Ca 0.19 0.26 0.01 0.00 -1.01 0.00 0.00 57.07 56.52 3cdz s TYR 511 Cb -0.15 -1.77 0.03 0.00 -0.11 0.00 0.00 41.96 39.96 3cdz s TYR 511 CO 0.16 0.60 -0.17 0.21 -1.11 0.00 0.00 175.55 175.24 3cdz s LYS 512 N -2.37 2.87 -0.37 -0.62 2.20 0.49 -1.34 119.74 120.60 3cdz s LYS 512 Ca 0.33 -0.92 -0.09 0.00 -0.36 0.00 0.00 55.97 54.93 3cdz s LYS 512 Cb -0.13 -2.65 0.04 0.00 -1.51 0.00 0.00 37.83 33.58 3cdz s LYS 512 CO 0.26 -0.28 0.18 -1.58 -0.36 0.00 0.00 175.35 173.57 3cdz s TRP 513 N 1.27 3.26 -0.19 4.03 0.51 0.57 -1.16 118.94 127.23 3cdz s TRP 513 Ca 0.03 -1.21 -0.07 0.00 -2.12 0.00 0.00 56.10 52.73 3cdz s TRP 513 Cb -0.14 -2.47 -0.04 0.00 -0.81 0.00 0.00 33.47 30.01 3cdz s TRP 513 CO -0.11 -0.71 0.04 0.99 -0.51 0.00 0.00 176.95 176.66 3cdz s THR 514 N 1.48 4.56 -0.16 2.01 2.01 -0.83 0.26 115.64 124.97 3cdz s THR 514 Ca 0.01 -0.11 -0.03 0.00 0.31 0.00 0.00 61.69 61.87 3cdz s THR 514 Cb -0.20 -3.05 -0.02 0.00 0.01 0.00 0.00 72.50 69.24 3cdz s THR 514 CO 0.05 0.45 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.68 3cdz s VAL 515 N 0.52 3.56 0.36 3.82 1.01 -0.14 -4.09 120.40 125.45 3cdz s VAL 515 Ca 0.02 -0.47 0.06 0.00 0.00 0.00 0.00 61.98 61.59 3cdz s VAL 515 Cb -0.13 -2.56 -0.07 0.00 0.00 0.00 0.00 36.38 33.62 3cdz s VAL 515 CO 0.01 0.48 0.02 0.42 0.00 0.00 0.00 175.10 176.04 3cdz s THR 516 N 0.61 1.65 0.57 3.92 -4.23 -1.26 -0.35 115.64 116.56 3cdz s THR 516 Ca -0.04 -2.02 0.26 0.00 -1.18 0.00 0.00 61.69 58.71 3cdz s THR 516 Cb -0.15 -2.86 0.35 0.00 1.34 0.00 0.00 72.50 71.18 3cdz s THR 516 CO 0.03 -0.03 2.13 -0.37 -0.54 0.00 0.00 174.62 175.84 3cdz h VAL 517 N 1.96 0.60 -0.15 2.29 -1.51 -1.95 -2.18 116.25 115.32 3cdz h VAL 517 Ca -0.42 0.00 -0.11 0.00 -1.23 0.00 0.00 66.70 64.94 3cdz h VAL 517 Cb 1.24 0.89 -0.01 0.00 -2.13 0.00 0.00 31.29 31.28 3cdz h VAL 517 CO 0.75 0.00 -0.39 1.05 -1.23 0.00 0.00 177.57 177.74 3cdz h GLU 518 N 0.00 0.33 -0.35 5.19 9.09 -1.95 -2.92 114.58 123.97 3cdz h GLU 518 Ca 0.07 -0.15 0.00 0.00 0.05 0.00 0.00 59.36 59.32 3cdz h GLU 518 Cb 0.35 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.44 3cdz h GLU 518 CO -0.00 0.67 0.00 -0.40 0.05 0.00 0.00 179.01 179.33 3cdz n ASP 519 N -4.04 3.20 -4.90 3.06 3.85 -0.82 -4.89 116.55 112.01 3cdz n ASP 519 Ca -0.01 -1.96 -0.26 0.00 -0.71 0.00 0.00 54.79 51.85 3cdz n ASP 519 Cb 0.48 -0.22 -0.01 0.00 -1.35 0.00 0.00 41.12 40.02 3cdz n ASP 519 CO 0.00 0.00 0.00 -0.83 -1.01 0.00 0.00 177.20 175.36 3cdz s GLY 520 N -1.51 2.36 0.00 6.12 0.00 -1.10 -4.86 107.32 108.33 3cdz s GLY 520 Ca 0.38 -1.28 0.00 0.00 0.00 0.00 0.00 44.72 43.81 3cdz s GLY 520 CO 0.31 -1.93 0.00 -1.55 0.00 0.00 0.00 173.10 169.92 3cdz n PRO 521 N -1.77 1.21 -1.23 2.90 -0.04 -1.26 -5.00 135.00 129.81 3cdz n PRO 521 Ca -0.01 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.44 3cdz n PRO 521 Cb 0.64 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.10 3cdz n PRO 521 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3cdz n THR 522 N -0.58 0.00 1.36 0.52 -2.24 -1.26 -4.95 114.28 107.12 3cdz n THR 522 Ca 0.00 -0.03 0.05 0.00 -2.27 0.00 0.00 64.05 61.79 3cdz n THR 522 Cb 0.00 0.03 0.27 0.00 -2.10 0.00 0.00 70.33 68.53 3cdz n THR 522 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3cdz n LYS 523 N -0.02 0.68 -0.01 -0.78 2.85 -1.26 -3.53 118.16 116.09 3cdz n LYS 523 Ca -0.00 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.24 3cdz n LYS 523 Cb 0.02 -1.21 -0.01 0.00 -0.65 0.00 0.00 35.03 33.18 3cdz n LYS 523 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 3cdz n SER 524 N -0.71 0.76 -3.24 -5.58 7.64 -1.26 -5.10 113.62 106.13 3cdz n SER 524 Ca 0.07 0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.97 3cdz n SER 524 Cb 0.03 -0.06 0.00 0.00 -1.01 0.00 0.00 64.21 63.17 3cdz n SER 524 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 3cdz n ASP 525 N -3.01 0.00 -3.02 6.43 8.00 -1.23 -4.96 116.55 118.76 3cdz n ASP 525 Ca -0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.46 3cdz n ASP 525 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 3cdz n ASP 525 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 3cdz n PRO 526 N 0.00 0.73 0.00 -0.24 -0.04 -1.26 -4.92 135.00 129.28 3cdz n PRO 526 Ca 0.00 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.53 3cdz n PRO 526 Cb 0.00 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.47 3cdz n PRO 526 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3cdz n ARG 527 N -0.23 1.66 -3.42 0.54 1.74 -1.26 -4.36 116.66 111.34 3cdz n ARG 527 Ca 0.00 -0.88 -0.24 0.00 -0.77 0.00 0.00 57.85 55.96 3cdz n ARG 527 Cb 0.00 -1.25 -0.10 0.00 -1.02 0.00 0.00 32.46 30.09 3cdz n ARG 527 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3cdz s LEU 529 N 1.23 3.66 -0.17 0.00 0.05 -0.54 -4.83 118.68 118.09 3cdz s LEU 529 Ca 0.17 2.10 -0.10 0.00 0.05 0.00 0.00 54.13 56.36 3cdz s LEU 529 Cb -0.20 -4.57 -0.05 0.00 -2.05 0.00 0.00 46.19 39.32 3cdz s LEU 529 CO -0.01 -1.28 0.16 -0.89 -0.55 0.00 0.00 176.35 173.77 3cdz s THR 530 N -1.94 5.42 0.07 5.48 2.01 -1.26 -3.13 115.64 122.29 3cdz s THR 530 Ca 0.71 0.25 -0.01 0.00 0.31 0.00 0.00 61.69 62.95 3cdz s THR 530 Cb -0.22 -3.47 0.00 0.00 0.01 0.00 0.00 72.50 68.82 3cdz s THR 530 CO 0.30 0.49 0.11 0.54 -0.69 0.00 0.00 174.62 175.37 3cdz n ARG 531 N 3.03 0.15 -3.63 4.92 5.12 -0.79 -4.42 116.66 121.05 3cdz n ARG 531 Ca -0.17 -0.56 -0.08 0.00 -1.93 0.00 0.00 57.85 55.11 3cdz n ARG 531 Cb 0.53 0.55 -0.02 0.00 -1.16 0.00 0.00 32.46 32.36 3cdz n ARG 531 CO 0.00 0.00 0.00 1.52 -1.93 0.00 0.00 177.63 177.22 3cdz s TYR 532 N -4.95 -0.32 -0.11 -1.55 -0.85 -1.22 -1.71 117.35 106.64 3cdz s TYR 532 Ca 0.06 0.04 0.04 0.00 -0.52 0.00 0.00 57.07 56.68 3cdz s TYR 532 Cb -0.00 0.61 0.00 0.00 0.38 0.00 0.00 41.96 42.95 3cdz s TYR 532 CO 0.04 -0.89 -0.23 1.52 -1.52 0.00 0.00 175.55 174.46 3cdz s TYR 533 N -3.58 2.58 0.52 -3.49 -0.85 0.14 -1.58 117.35 111.09 3cdz s TYR 533 Ca 0.07 -1.06 0.07 0.00 -0.52 0.00 0.00 57.07 55.63 3cdz s TYR 533 Cb -0.02 -1.73 0.07 0.00 0.38 0.00 0.00 41.96 40.66 3cdz s TYR 533 CO -0.04 -0.43 0.62 0.45 -1.52 0.00 0.00 175.55 174.63 3cdz n SER 534 N 3.58 2.15 -4.83 -0.18 2.88 -1.17 -2.03 113.62 114.03 3cdz n SER 534 Ca -0.19 -2.51 -0.22 0.00 -1.33 0.00 0.00 58.87 54.61 3cdz n SER 534 Cb 0.53 -0.28 -0.04 0.00 -0.75 0.00 0.00 64.21 63.67 3cdz n SER 534 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3cdz s SER 535 N -4.19 5.57 -0.04 -3.46 0.15 -1.22 -2.77 113.70 107.72 3cdz s SER 535 Ca 0.47 -0.22 0.06 0.00 0.70 0.00 0.00 55.95 56.96 3cdz s SER 535 Cb -0.04 -1.43 0.10 0.00 -1.71 0.00 0.00 66.02 62.94 3cdz s SER 535 CO 0.30 -0.03 0.97 0.49 1.20 0.00 0.00 173.24 176.17 3cdz n PHE 536 N -1.10 0.00 0.06 3.44 3.72 -1.26 -4.58 117.46 117.74 3cdz n PHE 536 Ca -0.08 -0.40 -0.13 0.00 -0.05 0.00 0.00 57.45 56.79 3cdz n PHE 536 Cb 0.57 -0.08 -0.08 0.00 -0.94 0.00 0.00 39.48 38.96 3cdz n PHE 536 CO 0.00 0.00 0.00 -0.24 -0.05 0.00 0.00 176.76 176.47 3cdz h VAL 537 N 3.06 1.03 -2.05 -4.37 3.04 -1.82 -3.43 116.25 111.71 3cdz h VAL 537 Ca 0.00 -0.44 -0.60 0.00 -1.01 0.00 0.00 66.70 64.65 3cdz h VAL 537 Cb 1.08 1.31 -0.12 0.00 -2.01 0.00 0.00 31.29 31.55 3cdz h VAL 537 CO 0.00 0.11 -0.68 0.21 -1.01 0.00 0.00 177.57 176.19 3cdz s ASN 538 N -5.27 3.90 -0.01 3.17 3.84 -1.26 -4.96 114.94 114.35 3cdz s ASN 538 Ca -0.14 -1.03 -0.02 0.00 0.21 0.00 0.00 52.86 51.88 3cdz s ASN 538 Cb 0.04 -0.44 -0.01 0.00 -0.55 0.00 0.00 41.25 40.29 3cdz s ASN 538 CO 0.64 -0.11 0.31 -0.03 -2.79 0.00 0.00 177.10 175.12 3cdz h MET 539 N 2.03 -0.08 0.00 0.43 1.85 -1.86 -3.35 114.93 113.95 3cdz h MET 539 Ca -0.42 0.01 -0.04 0.00 -0.61 0.00 0.00 59.70 58.64 3cdz h MET 539 Cb 1.25 0.02 -0.01 0.00 0.43 0.00 0.00 31.60 33.29 3cdz h MET 539 CO 0.65 -0.05 -1.20 -0.85 -0.40 0.00 0.00 176.91 175.06 3cdz n GLU 540 N -2.63 2.48 0.00 0.39 0.00 -1.26 -2.71 120.64 116.90 3cdz n GLU 540 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 57.16 57.14 3cdz n GLU 540 Cb 0.03 -1.08 0.00 0.00 0.00 0.00 0.00 31.44 30.39 3cdz n GLU 540 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 3cdz n ARG 541 N -1.97 0.00 0.00 3.44 0.63 -1.26 -0.05 116.66 117.45 3cdz n ARG 541 Ca -0.04 0.18 0.00 0.00 -0.92 0.00 0.00 57.85 57.07 3cdz n ARG 541 Cb 0.45 -1.55 0.00 0.00 0.45 0.00 0.00 32.46 31.81 3cdz n ARG 541 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 3cdz n ASP 542 N -1.12 0.00 -0.17 6.15 9.92 -1.26 -3.77 116.55 126.30 3cdz n ASP 542 Ca 0.00 0.00 -0.05 0.00 -0.53 0.00 0.00 54.79 54.21 3cdz n ASP 542 Cb 0.05 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.49 3cdz n ASP 542 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 3cdz n LEU 543 N -1.17 -0.44 -0.24 0.64 7.94 -1.09 0.34 117.00 122.98 3cdz n LEU 543 Ca 0.00 0.83 0.32 0.00 -1.11 0.00 0.00 56.01 56.05 3cdz n LEU 543 Cb 0.00 -0.14 0.69 0.00 0.53 0.00 0.00 43.42 44.50 3cdz n LEU 543 CO 0.00 -0.65 1.30 0.00 -1.11 0.00 0.00 177.39 176.93 3cdz h ALA 544 N 0.12 2.94 -0.01 1.96 0.00 -0.75 1.05 119.26 124.57 3cdz h ALA 544 Ca 0.07 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3cdz h ALA 544 Cb 0.17 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3cdz h ALA 544 CO -0.39 -1.44 -0.05 0.43 0.00 0.00 0.00 179.25 177.80 3cdz n SER 545 N -3.84 0.81 0.00 0.00 7.64 0.15 -4.60 113.62 113.79 3cdz n SER 545 Ca 0.23 -1.09 0.00 0.00 1.01 0.00 0.00 58.87 59.02 3cdz n SER 545 Cb 1.24 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 64.44 3cdz n SER 545 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cdz n GLY 546 N 1.17 -0.48 2.78 0.23 0.00 0.36 -0.33 105.19 108.92 3cdz n GLY 546 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3cdz n GLY 546 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3cdz n LEU 547 N 0.00 6.76 -3.98 0.99 4.77 -0.91 -3.94 117.00 120.69 3cdz n LEU 547 Ca 0.00 -4.21 -0.15 0.00 -0.03 0.00 0.00 56.01 51.62 3cdz n LEU 547 Cb 0.00 -1.64 -0.14 0.00 -2.33 0.00 0.00 43.42 39.32 3cdz n LEU 547 CO 0.00 1.11 -0.40 -0.51 -1.33 0.00 0.00 177.39 176.26 3cdz s ILE 548 N 2.81 0.45 -0.27 -0.08 1.10 -1.26 -3.43 121.20 120.51 3cdz s ILE 548 Ca 0.46 -0.38 -0.25 0.00 -0.51 0.00 0.00 60.65 59.96 3cdz s ILE 548 Cb 0.13 -0.41 0.11 0.00 0.15 0.00 0.00 42.46 42.44 3cdz s ILE 548 CO -0.07 0.03 0.94 -0.83 -2.11 0.00 0.00 174.94 172.90 3cdz s GLY 549 N -0.39 -0.27 -0.15 1.50 0.00 -0.86 0.99 107.32 108.13 3cdz s GLY 549 Ca -0.00 2.46 -0.26 0.00 0.00 0.00 0.00 44.72 46.92 3cdz s GLY 549 CO -0.00 1.77 0.84 2.56 0.00 0.00 0.00 173.10 178.27 3cdz s PRO 550 N 0.21 4.33 -0.15 2.90 0.04 -1.26 0.27 135.00 141.34 3cdz s PRO 550 Ca 0.02 1.04 -0.04 0.00 0.04 0.00 0.00 61.00 62.06 3cdz s PRO 550 Cb -0.05 -3.56 -0.03 0.00 0.04 0.00 0.00 34.50 30.90 3cdz s PRO 550 CO -0.04 -0.28 -0.01 -1.17 0.04 0.00 0.00 177.00 175.54 3cdz s LEU 551 N 1.98 3.44 -0.20 -3.56 1.98 -0.69 -0.14 118.68 121.48 3cdz s LEU 551 Ca 0.39 -0.03 0.01 0.00 -2.89 0.00 0.00 54.13 51.61 3cdz s LEU 551 Cb -0.17 -1.83 0.03 0.00 0.66 0.00 0.00 46.19 44.88 3cdz s LEU 551 CO 0.14 0.20 -0.15 -0.22 -1.89 0.00 0.00 176.35 174.43 3cdz s LEU 552 N 0.16 2.48 -0.15 -0.68 2.96 0.12 -1.88 118.68 121.69 3cdz s LEU 552 Ca 0.00 -0.88 -0.05 0.00 -0.22 0.00 0.00 54.13 52.98 3cdz s LEU 552 Cb -0.13 -1.43 -0.04 0.00 0.50 0.00 0.00 46.19 45.09 3cdz s LEU 552 CO 0.02 -0.08 0.03 -0.63 -1.32 0.00 0.00 176.35 174.37 3cdz s ILE 553 N 1.27 4.50 0.03 6.68 1.01 -1.18 -2.01 121.20 131.50 3cdz s ILE 553 Ca 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 60.65 60.48 3cdz s ILE 553 Cb -0.15 -2.98 -0.02 0.00 0.01 0.00 0.00 42.46 39.31 3cdz s ILE 553 CO -0.10 0.52 0.02 0.00 0.00 0.00 0.00 174.94 175.37 3cdz n TYR 555 N 0.92 -1.69 -2.67 0.00 9.36 0.30 0.14 117.16 123.52 3cdz n TYR 555 Ca -0.20 0.23 -0.40 0.00 3.32 0.00 0.00 57.90 60.85 3cdz n TYR 555 Cb 0.58 -1.78 -0.05 0.00 -0.63 0.00 0.00 39.34 37.46 3cdz n TYR 555 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 3cdz s LYS 556 N -3.30 4.79 0.00 2.98 2.47 -1.26 -4.53 119.74 120.90 3cdz s LYS 556 Ca 0.57 1.58 0.00 0.00 -1.56 0.00 0.00 55.97 56.56 3cdz s LYS 556 Cb -0.24 -3.26 0.00 0.00 -1.46 0.00 0.00 37.83 32.88 3cdz s LYS 556 CO 0.67 0.42 0.00 -0.85 0.16 0.00 0.00 175.35 175.75 3cdz n GLU 557 N 1.45 0.00 -3.15 4.03 0.28 -1.26 -4.80 120.64 117.19 3cdz n GLU 557 Ca -0.02 0.00 0.05 0.00 -0.16 0.00 0.00 57.16 57.03 3cdz n GLU 557 Cb 0.46 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.32 3cdz n GLU 557 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 177.13 175.43 3cdz s SER 558 N 0.00 -0.88 -1.48 -1.84 1.04 -1.26 -4.96 113.70 104.32 3cdz s SER 558 Ca 0.00 0.43 -0.06 0.00 0.48 0.00 0.00 55.95 56.79 3cdz s SER 558 Cb 0.00 1.69 0.01 0.00 0.10 0.00 0.00 66.02 67.82 3cdz s SER 558 CO 0.00 -0.16 0.12 0.52 0.98 0.00 0.00 173.24 174.69 3cdz n VAL 559 N 5.41 -1.27 0.00 5.02 0.31 -1.26 -4.91 118.33 121.63 3cdz n VAL 559 Ca -0.01 -0.51 0.00 0.00 -0.01 0.00 0.00 64.34 63.80 3cdz n VAL 559 Cb 0.53 -1.20 0.00 0.00 -0.91 0.00 0.00 33.84 32.26 3cdz n VAL 559 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3cdz n ASP 560 N -2.72 0.00 0.00 4.52 4.64 -1.26 -5.10 116.55 116.62 3cdz n ASP 560 Ca -0.29 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.12 3cdz n ASP 560 Cb 0.67 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.75 3cdz n ASP 560 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3cdz n GLN 561 N -0.46 0.00 -3.65 -0.67 1.13 -1.26 -4.73 117.38 107.74 3cdz n GLN 561 Ca 0.00 0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 54.98 3cdz n GLN 561 Cb 0.00 0.00 -0.08 0.00 0.11 0.00 0.00 30.24 30.27 3cdz n GLN 561 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 3cdz s ARG 562 N 0.00 0.64 -0.57 -1.09 0.52 -1.26 -5.03 118.95 112.16 3cdz s ARG 562 Ca 0.00 1.14 -0.03 0.00 -0.52 0.00 0.00 55.73 56.32 3cdz s ARG 562 Cb 0.00 0.13 -0.04 0.00 0.52 0.00 0.00 34.95 35.56 3cdz s ARG 562 CO 0.00 -0.15 0.50 0.41 0.02 0.00 0.00 175.30 176.07 3cdz n GLY 563 N 4.35 -0.21 2.50 -3.53 0.00 -1.26 -5.03 105.19 102.01 3cdz n GLY 563 Ca -0.20 0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 3cdz n GLY 563 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cdz n ASN 564 N -2.43 0.04 -0.00 1.61 3.02 -1.26 -4.65 115.26 111.59 3cdz n ASN 564 Ca -0.04 -2.97 -0.00 0.00 -0.03 0.00 0.00 54.58 51.54 3cdz n ASN 564 Cb 0.56 0.11 -0.00 0.00 -0.61 0.00 0.00 39.78 39.84 3cdz n ASN 564 CO 0.00 0.00 0.00 1.67 -2.62 0.00 0.00 177.26 176.31 3cdz n GLN 565 N 0.07 3.46 0.00 3.52 0.00 -1.26 -4.55 117.38 118.62 3cdz n GLN 565 Ca 0.13 -0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.13 3cdz n GLN 565 Cb 0.74 -1.01 0.00 0.00 0.00 0.00 0.00 30.24 29.97 3cdz n GLN 565 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 3cdz n ILE 566 N -1.95 0.00 -3.64 1.69 5.41 -1.26 -5.14 119.36 114.47 3cdz n ILE 566 Ca -0.00 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.72 3cdz n ILE 566 Cb 0.44 -0.36 -0.05 0.00 -0.71 0.00 0.00 39.64 38.96 3cdz n ILE 566 CO 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 176.55 176.51 3cdz s MET 567 N -1.56 0.08 -0.66 0.38 -1.94 -1.26 -5.10 119.30 109.24 3cdz s MET 567 Ca 0.00 0.04 -0.15 0.00 -1.71 0.00 0.00 55.69 53.88 3cdz s MET 567 Cb 0.00 0.04 0.17 0.00 2.01 0.00 0.00 34.83 37.04 3cdz s MET 567 CO 0.00 -0.02 0.61 -1.54 -0.01 0.00 0.00 175.02 174.06 3cdz s SER 568 N -0.58 6.40 0.16 3.03 1.04 -1.26 -4.90 113.70 117.60 3cdz s SER 568 Ca 0.08 -2.19 -0.34 0.00 0.48 0.00 0.00 55.95 53.98 3cdz s SER 568 Cb -0.03 -2.20 -0.15 0.00 0.10 0.00 0.00 66.02 63.75 3cdz s SER 568 CO -0.11 -0.73 1.34 0.47 0.98 0.00 0.00 173.24 175.20 3cdz n ASP 569 N 4.67 2.09 -4.07 7.02 8.00 -1.26 -4.88 116.55 128.11 3cdz n ASP 569 Ca -0.02 1.12 -0.34 0.00 0.71 0.00 0.00 54.79 56.27 3cdz n ASP 569 Cb 0.43 -1.30 0.09 0.00 -0.02 0.00 0.00 41.12 40.32 3cdz n ASP 569 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3cdz n LYS 570 N 2.33 -0.75 -4.14 -1.24 4.76 -1.26 -4.79 118.16 113.07 3cdz n LYS 570 Ca 0.15 -0.21 -0.35 0.00 -2.87 0.00 0.00 58.31 55.03 3cdz n LYS 570 Cb 0.26 -1.29 -0.08 0.00 -1.84 0.00 0.00 35.03 32.08 3cdz n LYS 570 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3cdz s ARG 571 N -2.63 3.17 -0.15 1.97 3.00 -1.26 -4.65 118.95 118.41 3cdz s ARG 571 Ca 0.42 -0.32 -0.07 0.00 0.00 0.00 0.00 55.73 55.76 3cdz s ARG 571 Cb 0.01 -2.95 0.06 0.00 0.00 0.00 0.00 34.95 32.07 3cdz s ARG 571 CO 0.61 0.72 0.34 1.21 0.00 0.00 0.00 175.30 178.18 3cdz s ASN 572 N -1.13 -0.20 -0.10 0.23 3.84 -1.26 -5.13 114.94 111.20 3cdz s ASN 572 Ca 0.16 0.76 0.04 0.00 0.21 0.00 0.00 52.86 54.03 3cdz s ASN 572 Cb -0.12 0.79 0.00 0.00 -0.55 0.00 0.00 41.25 41.38 3cdz s ASN 572 CO 0.06 -0.21 -0.23 0.68 -2.79 0.00 0.00 177.10 174.61 3cdz s VAL 573 N 1.86 1.95 -0.12 -5.21 -7.23 -1.26 -2.56 120.40 107.83 3cdz s VAL 573 Ca -0.05 -0.96 -0.03 0.00 -1.81 0.00 0.00 61.98 59.13 3cdz s VAL 573 Cb -0.10 -1.69 -0.03 0.00 0.56 0.00 0.00 36.38 35.11 3cdz s VAL 573 CO -0.11 0.54 -0.00 -0.63 -0.31 0.00 0.00 175.10 174.59 3cdz s ILE 574 N 0.37 4.26 -0.21 -0.62 1.09 -0.69 -4.88 121.20 120.53 3cdz s ILE 574 Ca -0.18 -0.25 0.01 0.00 -1.10 0.00 0.00 60.65 59.13 3cdz s ILE 574 Cb -0.18 -2.83 0.05 0.00 -1.06 0.00 0.00 42.46 38.44 3cdz s ILE 574 CO 0.08 0.55 -0.09 -0.22 -0.10 0.00 0.00 174.94 175.16 3cdz s LEU 575 N -0.32 2.35 -0.50 2.97 2.96 -1.26 -3.11 118.68 121.77 3cdz s LEU 575 Ca 0.06 -0.95 -0.26 0.00 -0.22 0.00 0.00 54.13 52.76 3cdz s LEU 575 Cb -0.12 -1.22 0.03 0.00 0.50 0.00 0.00 46.19 45.38 3cdz s LEU 575 CO 0.02 -0.16 1.01 -0.36 -1.32 0.00 0.00 176.35 175.54 3cdz s PHE 576 N 1.39 2.82 -0.08 5.38 0.40 -0.30 -1.93 117.98 125.66 3cdz s PHE 576 Ca -0.02 0.36 -0.03 0.00 -0.60 0.00 0.00 56.93 56.64 3cdz s PHE 576 Cb -0.17 -4.17 0.04 0.00 0.51 0.00 0.00 43.02 39.23 3cdz s PHE 576 CO -0.08 -1.27 0.15 0.45 0.70 0.00 0.00 175.22 175.17 3cdz s SER 577 N 2.54 0.58 -0.35 1.36 0.15 0.30 -1.80 113.70 116.48 3cdz s SER 577 Ca 0.39 0.31 -0.21 0.00 0.70 0.00 0.00 55.95 57.13 3cdz s SER 577 Cb -0.10 0.23 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 3cdz s SER 577 CO 0.26 -0.22 0.68 -0.69 1.20 0.00 0.00 173.24 174.46 3cdz s VAL 578 N 2.03 4.85 -0.25 4.45 1.01 -1.24 -1.02 120.40 130.23 3cdz s VAL 578 Ca 0.00 0.72 -0.15 0.00 0.00 0.00 0.00 61.98 62.55 3cdz s VAL 578 Cb -0.12 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 3cdz s VAL 578 CO -0.06 -0.31 0.40 -0.36 0.00 0.00 0.00 175.10 174.76 3cdz s PHE 579 N 2.80 3.28 -1.10 5.22 0.08 -0.45 -3.10 117.98 124.71 3cdz s PHE 579 Ca 0.27 0.49 -0.07 0.00 0.12 0.00 0.00 56.93 57.74 3cdz s PHE 579 Cb -0.14 -2.57 0.29 0.00 -0.57 0.00 0.00 43.02 40.02 3cdz s PHE 579 CO 0.15 -0.17 1.22 -3.47 -0.10 0.00 0.00 175.22 172.84 3cdz n ASP 580 N 5.12 5.76 -0.59 1.36 2.03 -1.26 -0.40 116.55 128.57 3cdz n ASP 580 Ca -0.08 -3.16 0.47 0.00 0.52 0.00 0.00 54.79 52.53 3cdz n ASP 580 Cb 0.51 -1.33 0.77 0.00 -0.72 0.00 0.00 41.12 40.34 3cdz n ASP 580 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 3cdz h GLU 581 N 6.22 0.02 0.00 -0.67 4.39 -1.85 0.39 114.58 123.07 3cdz h GLU 581 Ca 0.19 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.88 3cdz h GLU 581 Cb 0.79 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 3cdz h GLU 581 CO 1.11 0.01 0.11 0.09 -1.16 0.00 0.00 179.01 179.18 3cdz n ASN 582 N -4.21 0.00 0.00 1.42 3.02 -1.26 -0.57 115.26 113.65 3cdz n ASN 582 Ca 0.41 0.33 0.00 0.00 -0.03 0.00 0.00 54.58 55.29 3cdz n ASN 582 Cb 1.76 -0.33 0.00 0.00 -0.61 0.00 0.00 39.78 40.60 3cdz n ASN 582 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 3cdz n ARG 583 N -1.32 5.49 -2.02 3.52 3.00 0.14 -5.05 116.66 120.41 3cdz n ARG 583 Ca 0.00 -0.04 -0.41 0.00 -0.00 0.00 0.00 57.85 57.40 3cdz n ARG 583 Cb 0.11 -0.48 -0.02 0.00 0.00 0.00 0.00 32.46 32.07 3cdz n ARG 583 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 3cdz s SER 584 N -0.80 6.65 0.00 6.15 1.04 0.26 -4.55 113.70 122.45 3cdz s SER 584 Ca 0.00 2.78 0.00 0.00 0.48 0.00 0.00 55.95 59.21 3cdz s SER 584 Cb 0.00 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.47 3cdz s SER 584 CO 0.00 -0.64 0.14 0.79 0.98 0.00 0.00 173.24 174.51 3cdz n TRP 585 N 0.90 0.00 -2.40 5.02 7.02 -1.25 -0.31 117.44 126.42 3cdz n TRP 585 Ca 0.01 0.00 -0.01 0.00 -1.02 0.00 0.00 57.50 56.48 3cdz n TRP 585 Cb 0.41 -0.01 0.06 0.00 -2.42 0.00 0.00 31.31 29.35 3cdz n TRP 585 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 3cdz n TYR 586 N 0.02 0.82 0.00 -5.99 4.02 -1.26 -5.01 117.16 109.76 3cdz n TYR 586 Ca 0.00 -1.46 0.00 0.00 -0.01 0.00 0.00 57.90 56.43 3cdz n TYR 586 Cb 0.03 -0.22 0.00 0.00 -0.02 0.00 0.00 39.34 39.13 3cdz n TYR 586 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 3cdz n LEU 587 N -0.30 0.00 -0.15 7.72 7.94 0.58 -2.11 117.00 130.67 3cdz n LEU 587 Ca 0.14 0.32 0.13 0.00 -1.11 0.00 0.00 56.01 55.48 3cdz n LEU 587 Cb 0.93 0.00 0.33 0.00 0.53 0.00 0.00 43.42 45.21 3cdz n LEU 587 CO 0.06 0.00 0.58 0.35 -1.11 0.00 0.00 177.39 177.27 3cdz n THR 588 N -0.48 0.00 -0.10 1.96 -2.24 -1.26 -2.94 114.28 109.21 3cdz n THR 588 Ca 0.00 -0.08 -0.11 0.00 -2.27 0.00 0.00 64.05 61.59 3cdz n THR 588 Cb 0.00 0.34 -0.06 0.00 -2.10 0.00 0.00 70.33 68.51 3cdz n THR 588 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3cdz h GLU 589 N 0.75 -0.36 0.00 -0.78 4.57 -1.95 -2.56 114.58 114.25 3cdz h GLU 589 Ca 0.00 0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 3cdz h GLU 589 Cb 0.50 0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 3cdz h GLU 589 CO 0.00 -0.24 0.00 -0.91 -1.18 0.00 0.00 179.01 176.68 3cdz h ASN 590 N -0.38 0.00 0.63 1.04 2.35 -1.31 -2.92 115.58 114.99 3cdz h ASN 590 Ca 0.11 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.60 3cdz h ASN 590 Cb 0.60 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.92 3cdz h ASN 590 CO -0.54 0.00 -1.52 0.16 -1.65 0.00 0.00 177.43 173.88 3cdz h ILE 591 N 0.00 1.04 0.00 2.81 3.07 -1.60 -2.99 117.51 119.84 3cdz h ILE 591 Ca 0.00 -2.85 -0.09 0.00 1.55 0.00 0.00 64.86 63.47 3cdz h ILE 591 Cb 0.08 2.51 -0.01 0.00 -0.27 0.00 0.00 36.82 39.12 3cdz h ILE 591 CO 0.00 0.59 -0.42 1.56 -1.05 0.00 0.00 178.15 178.83 3cdz h GLN 592 N 0.00 0.00 0.00 0.16 7.50 -1.43 -3.33 115.11 118.01 3cdz h GLN 592 Ca -0.21 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.94 3cdz h GLN 592 Cb 1.94 0.00 0.00 0.00 0.05 0.00 0.00 27.48 29.47 3cdz h GLN 592 CO 0.09 0.42 0.00 0.54 -1.50 0.00 0.00 178.83 178.38 3cdz n ARG 593 N -3.69 0.00 -0.21 1.46 5.12 -1.17 -4.73 116.66 113.44 3cdz n ARG 593 Ca -0.01 0.00 -0.07 0.00 -1.93 0.00 0.00 57.85 55.84 3cdz n ARG 593 Cb 0.51 0.00 0.03 0.00 -1.16 0.00 0.00 32.46 31.84 3cdz n ARG 593 CO 0.00 0.00 0.00 0.35 -1.93 0.00 0.00 177.63 176.05 3cdz h PHE 594 N 0.00 0.84 -2.78 -1.55 -0.00 -1.76 -3.40 116.94 108.28 3cdz h PHE 594 Ca 0.00 -0.03 -0.53 0.00 -0.00 0.00 0.00 57.97 57.41 3cdz h PHE 594 Cb 0.00 -0.27 0.02 0.00 -0.00 0.00 0.00 35.95 35.71 3cdz h PHE 594 CO 0.00 0.62 0.92 -1.17 -0.00 0.00 0.00 178.31 178.68 3cdz s LEU 595 N -9.93 4.36 0.00 0.59 1.98 -1.25 -4.80 118.68 109.64 3cdz s LEU 595 Ca -0.13 2.46 0.00 0.00 -2.89 0.00 0.00 54.13 53.57 3cdz s LEU 595 Cb 0.13 -3.57 0.00 0.00 0.66 0.00 0.00 46.19 43.41 3cdz s LEU 595 CO 0.78 -0.83 0.29 -2.65 -1.89 0.00 0.00 176.35 172.05 3cdz n PRO 596 N 4.96 0.00 -3.73 0.98 -0.02 -1.26 -4.53 135.00 131.40 3cdz n PRO 596 Ca 0.15 0.04 -0.37 0.00 -2.02 0.00 0.00 63.50 61.30 3cdz n PRO 596 Cb 0.40 -0.79 -0.12 0.00 -0.02 0.00 0.00 33.50 32.97 3cdz n PRO 596 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3cdz s ASN 597 N -2.13 5.35 -0.01 2.55 2.20 -1.26 -4.91 114.94 116.73 3cdz s ASN 597 Ca 0.00 -0.15 0.02 0.00 -0.94 0.00 0.00 52.86 51.78 3cdz s ASN 597 Cb 0.00 -1.97 0.06 0.00 -2.00 0.00 0.00 41.25 37.34 3cdz s ASN 597 CO 0.00 -0.03 0.89 -2.65 -2.94 0.00 0.00 177.10 172.37 3cdz n PRO 598 N 4.89 1.20 0.15 3.55 -0.02 -1.26 -4.25 135.00 139.26 3cdz n PRO 598 Ca -0.16 -0.23 0.07 0.00 -2.02 0.00 0.00 63.50 61.16 3cdz n PRO 598 Cb 0.52 -1.23 0.38 0.00 -0.02 0.00 0.00 33.50 33.14 3cdz n PRO 598 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cdz n ALA 599 N -0.19 0.74 -3.70 3.55 0.00 -1.26 0.60 120.51 120.24 3cdz n ALA 599 Ca 0.02 0.13 -0.29 0.00 0.00 0.00 0.00 53.44 53.30 3cdz n ALA 599 Cb 0.15 -0.91 -0.13 0.00 0.00 0.00 0.00 19.45 18.56 3cdz n ALA 599 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3cdz s GLY 600 N -3.19 1.71 0.00 0.00 0.00 -1.26 -5.04 107.32 99.54 3cdz s GLY 600 Ca -0.02 -2.65 0.00 0.00 0.00 0.00 0.00 44.72 42.06 3cdz s GLY 600 CO 0.13 1.55 0.32 3.33 0.00 0.00 0.00 173.10 178.43 3cdz n VAL 601 N 3.43 0.24 -1.39 1.40 0.24 0.20 -4.93 118.33 117.51 3cdz n VAL 601 Ca 0.10 0.00 -0.46 0.00 -2.04 0.00 0.00 64.34 61.95 3cdz n VAL 601 Cb 0.35 -0.50 -0.02 0.00 -1.47 0.00 0.00 33.84 32.20 3cdz n VAL 601 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3cdz n GLN 602 N 0.60 0.15 0.00 7.34 10.64 -1.26 -5.03 117.38 129.82 3cdz n GLN 602 Ca 0.00 0.05 0.00 0.00 -1.83 0.00 0.00 57.00 55.22 3cdz n GLN 602 Cb 0.16 -1.10 0.00 0.00 -0.86 0.00 0.00 30.24 28.44 3cdz n GLN 602 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 3cdz n LEU 603 N 1.97 0.00 -0.11 2.61 7.99 -1.26 -5.09 117.00 123.12 3cdz n LEU 603 Ca 0.15 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.15 3cdz n LEU 603 Cb 0.31 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.62 3cdz n LEU 603 CO 0.56 0.00 0.00 1.21 -1.51 0.00 0.00 177.39 177.65 3cdz n GLU 604 N 0.00 0.00 -3.73 3.23 2.13 -1.26 -4.93 120.64 116.08 3cdz n GLU 604 Ca 0.00 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.69 3cdz n GLU 604 Cb 0.00 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.63 3cdz n GLU 604 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3cdz s ASP 605 N 0.00 -0.20 0.06 4.31 -1.08 -1.26 -5.04 116.67 113.46 3cdz s ASP 605 Ca 0.00 -0.03 -0.20 0.00 -0.52 0.00 0.00 52.55 51.80 3cdz s ASP 605 Cb 0.00 0.36 -0.08 0.00 -1.46 0.00 0.00 42.92 41.74 3cdz s ASP 605 CO 0.00 -0.57 1.31 -0.65 0.52 0.00 0.00 175.17 175.79 3cdz h PRO 606 N 3.39 -0.43 0.00 4.34 0.11 -2.01 -3.16 132.00 134.24 3cdz h PRO 606 Ca -0.31 0.03 -0.21 0.00 0.11 0.00 0.00 66.00 65.62 3cdz h PRO 606 Cb 1.19 0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.36 3cdz h PRO 606 CO 0.43 -0.28 -1.31 1.05 -0.21 0.00 0.00 178.00 177.68 3cdz h GLU 607 N -0.44 0.00 -0.25 1.05 9.09 -1.98 -3.26 114.58 118.79 3cdz h GLU 607 Ca -0.01 0.00 -0.20 0.00 0.05 0.00 0.00 59.36 59.21 3cdz h GLU 607 Cb 0.44 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.54 3cdz h GLU 607 CO -0.15 0.54 -0.61 0.35 0.05 0.00 0.00 179.01 179.18 3cdz h PHE 608 N 0.00 1.10 -0.52 2.06 3.57 -1.92 0.07 116.94 121.31 3cdz h PHE 608 Ca -0.15 -0.42 0.01 0.00 3.53 0.00 0.00 57.97 60.93 3cdz h PHE 608 Cb 1.75 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 40.27 3cdz h PHE 608 CO 0.00 1.25 0.34 1.96 -2.23 0.00 0.00 178.31 179.64 3cdz h GLN 609 N 0.64 0.68 0.00 1.11 1.08 -1.69 -0.56 115.11 116.37 3cdz h GLN 609 Ca -0.00 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 3cdz h GLN 609 Cb 1.23 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.51 3cdz h GLN 609 CO 0.13 0.45 0.00 0.00 -0.95 0.00 0.00 178.83 178.46 3cdz h ALA 610 N 1.19 1.00 0.00 3.87 0.00 -1.55 -3.15 119.26 120.62 3cdz h ALA 610 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3cdz h ALA 610 Cb -0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3cdz h ALA 610 CO -0.04 0.00 0.00 0.45 0.00 0.00 0.00 179.25 179.66 3cdz n SER 611 N -2.61 0.00 0.00 0.00 2.88 -0.00 -3.58 113.62 110.30 3cdz n SER 611 Ca 0.00 -0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.20 3cdz n SER 611 Cb 0.20 -0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.45 3cdz n SER 611 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 3cdz n ASN 612 N -1.21 0.26 -4.55 -3.46 3.02 -1.19 -1.77 115.26 106.35 3cdz n ASN 612 Ca 0.16 -0.64 -0.34 0.00 -0.03 0.00 0.00 54.58 53.73 3cdz n ASN 612 Cb 0.20 0.22 -0.04 0.00 -0.61 0.00 0.00 39.78 39.56 3cdz n ASN 612 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3cdz s ILE 613 N -0.22 3.27 -0.76 2.41 1.01 -1.23 -3.16 121.20 122.51 3cdz s ILE 613 Ca 0.00 0.05 -0.16 0.00 0.00 0.00 0.00 60.65 60.54 3cdz s ILE 613 Cb 0.00 -3.68 0.18 0.00 0.01 0.00 0.00 42.46 38.97 3cdz s ILE 613 CO 0.00 -0.65 0.76 -0.04 0.00 0.00 0.00 174.94 175.01 3cdz s MET 614 N 7.45 3.42 -0.49 2.79 -1.94 0.46 -4.94 119.30 126.06 3cdz s MET 614 Ca 0.76 -2.10 -0.29 0.00 -1.71 0.00 0.00 55.69 52.36 3cdz s MET 614 Cb -0.13 -4.45 0.02 0.00 2.01 0.00 0.00 34.83 32.28 3cdz s MET 614 CO 0.18 -1.39 1.27 -1.01 -0.01 0.00 0.00 175.02 174.05 3cdz s HIS 615 N 1.06 2.58 0.10 -0.03 3.76 -1.26 -1.34 115.29 120.16 3cdz s HIS 615 Ca 0.16 0.62 -0.09 0.00 -0.15 0.00 0.00 55.06 55.61 3cdz s HIS 615 Cb -0.15 -4.41 -0.00 0.00 1.11 0.00 0.00 32.58 29.13 3cdz s HIS 615 CO -0.05 -1.63 0.21 -1.54 -0.85 0.00 0.00 174.74 170.87 3cdz s SER 616 N 3.25 0.10 -0.39 1.40 1.04 -0.19 -1.54 113.70 117.38 3cdz s SER 616 Ca 0.52 -0.67 -0.04 0.00 0.48 0.00 0.00 55.95 56.24 3cdz s SER 616 Cb -0.10 0.35 0.09 0.00 0.10 0.00 0.00 66.02 66.47 3cdz s SER 616 CO 0.30 -0.75 0.17 0.27 0.98 0.00 0.00 173.24 174.21 3cdz s ILE 617 N -3.87 3.45 -0.94 -1.02 -0.00 -0.62 -0.54 121.20 117.65 3cdz s ILE 617 Ca 0.06 -1.74 -0.06 0.00 -0.00 0.00 0.00 60.65 58.92 3cdz s ILE 617 Cb 0.05 -3.21 0.01 0.00 -0.00 0.00 0.00 42.46 39.30 3cdz s ILE 617 CO -0.10 -0.51 0.75 0.59 -0.00 0.00 0.00 174.94 175.68 3cdz n ASN 618 N 4.68 -4.95 0.00 4.36 4.13 -0.81 -3.44 115.26 119.23 3cdz n ASN 618 Ca -0.07 -0.34 0.00 0.00 1.68 0.00 0.00 54.58 55.85 3cdz n ASN 618 Cb 0.42 -3.57 0.00 0.00 -1.54 0.00 0.00 39.78 35.09 3cdz n ASN 618 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3cdz n GLY 619 N -1.50 1.96 3.77 7.41 0.00 -1.26 -2.85 105.19 112.72 3cdz n GLY 619 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 3cdz n GLY 619 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3cdz s TYR 620 N 0.00 3.26 0.16 1.61 2.02 -1.22 -4.45 117.35 118.73 3cdz s TYR 620 Ca 0.00 1.59 -0.06 0.00 -0.37 0.00 0.00 57.07 58.23 3cdz s TYR 620 Cb 0.00 -3.37 -0.02 0.00 -0.40 0.00 0.00 41.96 38.17 3cdz s TYR 620 CO 0.00 -1.06 0.21 0.54 -1.57 0.00 0.00 175.55 173.67 3cdz s VAL 621 N -1.31 0.07 -1.27 0.71 0.11 -0.88 -1.59 120.40 116.23 3cdz s VAL 621 Ca 0.52 -1.60 -0.16 0.00 -2.93 0.00 0.00 61.98 57.80 3cdz s VAL 621 Cb -0.31 -1.98 0.01 0.00 -1.53 0.00 0.00 36.38 32.57 3cdz s VAL 621 CO 0.40 -0.31 0.59 0.49 -3.33 0.00 0.00 175.10 172.95 3cdz n PHE 622 N -0.19 -1.65 -2.49 1.54 3.01 -1.24 0.53 117.46 116.97 3cdz n PHE 622 Ca -0.06 0.46 -0.17 0.00 1.01 0.00 0.00 57.45 58.69 3cdz n PHE 622 Cb 0.63 -3.32 -0.01 0.00 -0.01 0.00 0.00 39.48 36.78 3cdz n PHE 622 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3cdz n ASP 623 N -2.66 -5.00 -4.85 4.37 10.43 -0.27 -4.94 116.55 113.62 3cdz n ASP 623 Ca -0.18 0.05 -0.32 0.00 2.57 0.00 0.00 54.79 56.91 3cdz n ASP 623 Cb 0.62 -4.18 -0.04 0.00 1.84 0.00 0.00 41.12 39.36 3cdz n ASP 623 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 3cdz s SER 624 N -2.10 6.65 0.00 -2.24 0.15 0.19 -4.60 113.70 111.74 3cdz s SER 624 Ca 0.03 1.38 0.00 0.00 0.70 0.00 0.00 55.95 58.06 3cdz s SER 624 Cb -0.01 -2.42 0.00 0.00 -1.71 0.00 0.00 66.02 61.87 3cdz s SER 624 CO 0.04 -0.43 0.00 0.18 1.20 0.00 0.00 173.24 174.23 3cdz n LEU 625 N -1.18 0.00 0.00 3.45 4.77 -1.26 -4.36 117.00 118.43 3cdz n LEU 625 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3cdz n LEU 625 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 3cdz n LEU 625 CO 0.45 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.51 3cdz n GLN 626 N 0.00 0.00 -3.63 3.23 0.00 -1.26 -4.83 117.38 110.89 3cdz n GLN 626 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 57.00 56.89 3cdz n GLN 626 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 30.17 3cdz n GLN 626 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 3cdz s LEU 627 N 0.00 -0.82 -0.16 2.61 0.20 -1.00 -4.84 118.68 114.67 3cdz s LEU 627 Ca 0.00 1.45 -0.21 0.00 0.69 0.00 0.00 54.13 56.06 3cdz s LEU 627 Cb 0.00 2.41 -0.03 0.00 -0.43 0.00 0.00 46.19 48.14 3cdz s LEU 627 CO 0.00 -0.24 0.63 -0.55 -0.29 0.00 0.00 176.35 175.90 3cdz s SER 628 N 0.90 6.75 0.35 3.68 0.15 -1.26 -2.64 113.70 121.64 3cdz s SER 628 Ca -0.04 0.91 0.02 0.00 0.70 0.00 0.00 55.95 57.54 3cdz s SER 628 Cb -0.05 -2.36 -0.01 0.00 -1.71 0.00 0.00 66.02 61.90 3cdz s SER 628 CO -0.08 -0.21 0.41 0.68 1.20 0.00 0.00 173.24 175.24 3cdz s VAL 629 N 1.53 0.00 0.17 4.45 -7.23 -1.12 -5.00 120.40 113.20 3cdz s VAL 629 Ca 0.30 -1.76 -0.06 0.00 -1.81 0.00 0.00 61.98 58.66 3cdz s VAL 629 Cb -0.16 -2.61 -0.02 0.00 0.56 0.00 0.00 36.38 34.14 3cdz s VAL 629 CO 0.12 0.00 0.21 0.00 -0.31 0.00 0.00 175.10 175.12 3cdz s LEU 631 N -3.04 3.97 0.00 0.00 0.05 -1.22 -2.94 118.68 115.51 3cdz s LEU 631 Ca 0.24 1.30 0.00 0.00 0.05 0.00 0.00 54.13 55.72 3cdz s LEU 631 Cb 0.05 -4.13 0.00 0.00 -2.05 0.00 0.00 46.19 40.06 3cdz s LEU 631 CO 0.04 -0.28 0.00 1.41 -0.55 0.00 0.00 176.35 176.97 3cdz n HIS 632 N -0.67 0.00 -1.81 3.48 8.25 0.42 -4.71 115.22 120.18 3cdz n HIS 632 Ca 0.04 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.11 3cdz n HIS 632 Cb 0.53 -0.30 0.03 0.00 1.12 0.00 0.00 29.99 31.38 3cdz n HIS 632 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3cdz s GLU 633 N 0.00 3.34 -0.17 -0.41 2.02 -1.15 -4.85 118.70 117.48 3cdz s GLU 633 Ca 0.00 2.27 -0.06 0.00 0.02 0.00 0.00 54.97 57.20 3cdz s GLU 633 Cb 0.00 -2.39 0.08 0.00 0.10 0.00 0.00 34.13 31.92 3cdz s GLU 633 CO 0.00 -1.04 0.37 0.54 0.02 0.00 0.00 175.26 175.15 3cdz s VAL 634 N -1.28 -0.51 0.23 2.63 0.11 -1.26 -2.00 120.40 118.32 3cdz s VAL 634 Ca 0.68 0.19 -0.22 0.00 -2.93 0.00 0.00 61.98 59.70 3cdz s VAL 634 Cb -0.41 -0.59 0.05 0.00 -1.53 0.00 0.00 36.38 33.90 3cdz s VAL 634 CO 0.50 0.08 0.85 0.00 -3.33 0.00 0.00 175.10 173.20 3cdz s ALA 635 N 2.41 -1.37 0.31 1.54 0.00 -1.23 -4.85 121.76 118.57 3cdz s ALA 635 Ca -0.02 -0.19 -0.28 0.00 0.00 0.00 0.00 51.96 51.48 3cdz s ALA 635 Cb -0.12 0.74 -0.09 0.00 0.00 0.00 0.00 23.12 23.65 3cdz s ALA 635 CO -0.11 -1.04 1.08 0.71 0.00 0.00 0.00 175.76 176.40 3cdz s TYR 636 N -3.35 3.51 -0.11 0.00 4.12 -1.26 -3.62 117.35 116.63 3cdz s TYR 636 Ca 0.13 1.69 -0.05 0.00 0.02 0.00 0.00 57.07 58.86 3cdz s TYR 636 Cb -0.04 -3.23 -0.04 0.00 -1.52 0.00 0.00 41.96 37.13 3cdz s TYR 636 CO 0.05 -0.54 0.09 -1.58 0.02 0.00 0.00 175.55 173.60 3cdz s TRP 637 N -1.29 3.45 -0.17 2.71 0.23 -1.01 -4.34 118.94 118.52 3cdz s TRP 637 Ca 0.48 0.42 -0.01 0.00 -2.03 0.00 0.00 56.10 54.96 3cdz s TRP 637 Cb -0.29 -1.89 -0.00 0.00 0.03 0.00 0.00 33.47 31.32 3cdz s TRP 637 CO 0.37 0.65 -0.13 0.71 0.96 0.00 0.00 176.95 179.51 3cdz s TYR 638 N -0.98 2.82 0.07 -1.98 2.02 -1.06 -1.54 117.35 116.70 3cdz s TYR 638 Ca 0.14 -1.03 0.03 0.00 -0.37 0.00 0.00 57.07 55.84 3cdz s TYR 638 Cb -0.12 -1.93 -0.03 0.00 -0.40 0.00 0.00 41.96 39.48 3cdz s TYR 638 CO 0.04 -0.49 -0.09 0.96 -1.57 0.00 0.00 175.55 174.40 3cdz s ILE 639 N 0.94 0.72 0.06 2.71 -4.36 -0.93 -1.70 121.20 118.63 3cdz s ILE 639 Ca -0.02 -1.36 -0.17 0.00 -0.26 0.00 0.00 60.65 58.84 3cdz s ILE 639 Cb -0.15 -1.00 0.03 0.00 1.25 0.00 0.00 42.46 42.60 3cdz s ILE 639 CO -0.02 -0.48 0.38 -1.48 0.24 0.00 0.00 174.94 173.59 3cdz s LEU 640 N -2.02 0.53 -0.16 0.37 0.05 -1.18 -2.15 118.68 114.12 3cdz s LEU 640 Ca -0.02 -0.11 -0.03 0.00 0.05 0.00 0.00 54.13 54.02 3cdz s LEU 640 Cb -0.06 1.66 -0.02 0.00 -2.05 0.00 0.00 46.19 45.71 3cdz s LEU 640 CO -0.00 -0.69 -0.06 -0.55 -0.55 0.00 0.00 176.35 174.51 3cdz s SER 641 N -2.17 4.61 -0.04 1.48 0.15 -0.89 -1.15 113.70 115.68 3cdz s SER 641 Ca -0.04 -0.19 -0.05 0.00 0.70 0.00 0.00 55.95 56.37 3cdz s SER 641 Cb -0.00 -1.75 0.01 0.00 -1.71 0.00 0.00 66.02 62.57 3cdz s SER 641 CO -0.04 0.15 0.14 -0.51 1.20 0.00 0.00 173.24 174.18 3cdz s ILE 642 N 0.44 0.01 0.00 6.45 1.10 -0.74 -3.41 121.20 125.05 3cdz s ILE 642 Ca -0.05 -0.11 0.00 0.00 -0.51 0.00 0.00 60.65 59.98 3cdz s ILE 642 Cb -0.15 -0.24 0.00 0.00 0.15 0.00 0.00 42.46 42.22 3cdz s ILE 642 CO 0.03 -0.06 0.00 0.61 -2.11 0.00 0.00 174.94 173.41 3cdz n GLY 643 N 2.76 0.65 3.56 1.50 0.00 -1.26 -3.70 105.19 108.71 3cdz n GLY 643 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 3cdz n GLY 643 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cdz s ALA 644 N 0.00 1.98 0.00 4.61 0.00 -1.18 -4.67 121.76 122.50 3cdz s ALA 644 Ca 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.14 3cdz s ALA 644 Cb 0.00 -4.57 0.00 0.00 0.00 0.00 0.00 23.12 18.55 3cdz s ALA 644 CO 0.00 -4.55 0.00 0.00 0.00 0.00 0.00 175.76 171.21 3cdz n GLN 645 N 8.76 3.91 0.00 0.00 -0.00 -1.26 -4.67 117.38 124.12 3cdz n GLN 645 Ca 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.40 3cdz n GLN 645 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.72 3cdz n GLN 645 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 3cdz n THR 646 N 0.00 0.00 -4.29 -0.39 -1.04 -1.26 -4.85 114.28 102.45 3cdz n THR 646 Ca 0.00 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.83 3cdz n THR 646 Cb 0.00 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.42 3cdz n THR 646 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3cdz s ASP 647 N -0.72 1.37 0.45 8.00 2.15 -1.26 -4.97 116.67 121.69 3cdz s ASP 647 Ca 0.00 -1.63 0.07 0.00 0.43 0.00 0.00 52.55 51.41 3cdz s ASP 647 Cb 0.00 0.48 -0.03 0.00 -0.30 0.00 0.00 42.92 43.07 3cdz s ASP 647 CO 0.00 -0.97 0.23 0.72 -0.17 0.00 0.00 175.17 174.98 3cdz s PHE 648 N -3.62 2.38 -0.24 -5.34 -0.12 -1.26 -4.46 117.98 105.32 3cdz s PHE 648 Ca 0.38 -0.65 -0.01 0.00 -0.05 0.00 0.00 56.93 56.60 3cdz s PHE 648 Cb 0.04 -1.95 0.07 0.00 -0.63 0.00 0.00 43.02 40.54 3cdz s PHE 648 CO 0.21 0.02 0.02 -0.51 -0.05 0.00 0.00 175.22 174.92 3cdz s LEU 649 N -4.00 1.93 0.02 -1.99 1.43 0.27 -4.96 118.68 111.38 3cdz s LEU 649 Ca 0.38 -1.15 -0.30 0.00 -1.03 0.00 0.00 54.13 52.03 3cdz s LEU 649 Cb 0.02 -0.86 -0.04 0.00 0.03 0.00 0.00 46.19 45.34 3cdz s LEU 649 CO 0.22 -0.31 1.08 -0.94 0.23 0.00 0.00 176.35 176.63 3cdz s SER 650 N 1.64 7.23 0.05 2.29 1.04 -1.26 0.18 113.70 124.86 3cdz s SER 650 Ca 0.00 1.81 0.07 0.00 0.48 0.00 0.00 55.95 58.32 3cdz s SER 650 Cb -0.18 -2.57 -0.03 0.00 0.10 0.00 0.00 66.02 63.34 3cdz s SER 650 CO -0.11 -0.37 -0.18 0.68 0.98 0.00 0.00 173.24 174.23 3cdz s VAL 651 N 1.13 2.80 0.00 5.02 -7.23 0.10 -0.23 120.40 121.99 3cdz s VAL 651 Ca 0.55 -1.22 0.00 0.00 -1.81 0.00 0.00 61.98 59.50 3cdz s VAL 651 Cb -0.25 -2.19 0.00 0.00 0.56 0.00 0.00 36.38 34.50 3cdz s VAL 651 CO 0.28 0.31 0.00 0.33 -0.31 0.00 0.00 175.10 175.71 3cdz n PHE 652 N 1.46 0.00 -0.94 2.82 -0.00 -0.64 -3.07 117.46 117.09 3cdz n PHE 652 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.29 3cdz n PHE 652 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.00 3cdz n PHE 652 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.76 177.95 3cdz n PHE 653 N 0.00 0.00 -2.37 -5.13 3.72 -1.26 -4.76 117.46 107.66 3cdz n PHE 653 Ca 0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 3cdz n PHE 653 Cb 0.00 -1.19 -0.03 0.00 -0.94 0.00 0.00 39.48 37.32 3cdz n PHE 653 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3cdz s SER 654 N 0.00 7.01 0.00 4.37 0.15 -1.26 -3.60 113.70 120.37 3cdz s SER 654 Ca 0.00 2.03 0.00 0.00 0.70 0.00 0.00 55.95 58.68 3cdz s SER 654 Cb 0.00 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 3cdz s SER 654 CO 0.00 -0.55 0.00 0.61 1.20 0.00 0.00 173.24 174.50 3cdz n GLY 655 N 3.34 0.59 3.94 9.45 0.00 -1.26 -4.80 105.19 116.45 3cdz n GLY 655 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.86 3cdz n GLY 655 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3cdz s TYR 656 N -1.43 3.48 0.01 1.61 2.02 -1.24 -5.03 117.35 116.78 3cdz s TYR 656 Ca 0.00 0.22 0.01 0.00 -0.37 0.00 0.00 57.07 56.92 3cdz s TYR 656 Cb 0.00 -1.75 -0.01 0.00 -0.40 0.00 0.00 41.96 39.80 3cdz s TYR 656 CO 0.00 0.43 -0.03 0.99 -1.57 0.00 0.00 175.55 175.37 3cdz s THR 657 N -1.84 0.18 0.25 -0.71 2.01 -1.26 -4.87 115.64 109.40 3cdz s THR 657 Ca 0.36 -0.51 0.07 0.00 0.31 0.00 0.00 61.69 61.92 3cdz s THR 657 Cb -0.11 -0.24 -0.05 0.00 0.01 0.00 0.00 72.50 72.11 3cdz s THR 657 CO 0.29 -0.21 -0.08 0.72 -0.69 0.00 0.00 174.62 174.65 3cdz s PHE 658 N -0.73 1.82 -0.90 4.92 -0.71 -0.98 -4.55 117.98 116.84 3cdz s PHE 658 Ca -0.07 -0.69 -0.02 0.00 -1.04 0.00 0.00 56.93 55.12 3cdz s PHE 658 Cb -0.05 -0.98 0.22 0.00 -1.21 0.00 0.00 43.02 41.00 3cdz s PHE 658 CO -0.00 0.26 0.79 1.17 -1.34 0.00 0.00 175.22 176.10 3cdz n LYS 659 N -0.50 2.66 -3.78 1.99 4.81 0.06 -1.93 118.16 121.47 3cdz n LYS 659 Ca -0.06 -4.48 -0.36 0.00 -0.87 0.00 0.00 58.31 52.54 3cdz n LYS 659 Cb 0.62 -2.41 -0.07 0.00 0.02 0.00 0.00 35.03 33.19 3cdz n LYS 659 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 3cdz s HIS 660 N -1.41 3.47 -1.14 5.64 5.65 -1.22 -3.35 115.29 122.93 3cdz s HIS 660 Ca 0.28 0.39 0.00 0.00 0.25 0.00 0.00 55.06 55.98 3cdz s HIS 660 Cb -0.07 -2.09 0.00 0.00 -1.18 0.00 0.00 32.58 29.24 3cdz s HIS 660 CO -0.13 0.42 0.00 0.36 -0.65 0.00 0.00 174.74 174.75 3cdz n LYS 661 N 3.07 -1.05 -4.41 2.88 2.85 -1.26 -2.96 118.16 117.27 3cdz n LYS 661 Ca -0.17 0.65 -0.40 0.00 -1.05 0.00 0.00 58.31 57.34 3cdz n LYS 661 Cb 0.53 -4.88 -0.08 0.00 -0.65 0.00 0.00 35.03 29.95 3cdz n LYS 661 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3cdz n MET 662 N -2.28 -0.75 -4.75 -1.58 0.00 -1.26 -4.99 117.12 101.52 3cdz n MET 662 Ca -0.16 0.13 -0.33 0.00 0.00 0.00 0.00 57.70 57.34 3cdz n MET 662 Cb 0.61 -4.40 -0.07 0.00 0.00 0.00 0.00 33.22 29.36 3cdz n MET 662 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 3cdz n VAL 663 N -4.00 0.00 -4.08 3.17 0.31 -1.16 -5.14 118.33 107.43 3cdz n VAL 663 Ca 0.06 -2.49 -0.32 0.00 -0.01 0.00 0.00 64.34 61.58 3cdz n VAL 663 Cb 0.47 0.54 -0.16 0.00 -0.91 0.00 0.00 33.84 33.78 3cdz n VAL 663 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 3cdz s TYR 664 N -2.93 2.88 0.33 3.52 1.51 -1.26 -3.42 117.35 117.99 3cdz s TYR 664 Ca 0.02 -1.87 0.09 0.00 -1.01 0.00 0.00 57.07 54.30 3cdz s TYR 664 Cb 0.00 -1.87 -0.06 0.00 -0.11 0.00 0.00 41.96 39.92 3cdz s TYR 664 CO 0.02 -0.82 -0.09 -1.21 -1.11 0.00 0.00 175.55 172.33 3cdz s GLU 665 N 1.24 1.77 0.00 -0.62 0.41 -0.81 -5.00 118.70 115.69 3cdz s GLU 665 Ca -0.01 -1.91 0.11 0.00 -0.41 0.00 0.00 54.97 52.75 3cdz s GLU 665 Cb -0.16 -1.62 -0.03 0.00 -1.78 0.00 0.00 34.13 30.54 3cdz s GLU 665 CO -0.09 0.13 0.62 -0.40 -0.49 0.00 0.00 175.26 175.03 3cdz n ASP 666 N -0.76 1.10 -3.78 -0.19 3.85 -1.26 -2.33 116.55 113.18 3cdz n ASP 666 Ca -0.05 -1.05 -0.13 0.00 -0.71 0.00 0.00 54.79 52.85 3cdz n ASP 666 Cb 0.63 0.61 -0.14 0.00 -1.35 0.00 0.00 41.12 40.88 3cdz n ASP 666 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.20 175.30 3cdz s THR 667 N -1.62 -0.03 -0.25 2.12 2.01 -1.26 -4.83 115.64 111.78 3cdz s THR 667 Ca 0.08 0.10 -0.09 0.00 0.31 0.00 0.00 61.69 62.10 3cdz s THR 667 Cb 0.09 -0.22 -0.04 0.00 0.01 0.00 0.00 72.50 72.34 3cdz s THR 667 CO 0.33 0.04 0.11 -0.22 -0.69 0.00 0.00 174.62 174.19 3cdz s LEU 668 N 0.70 3.69 -0.14 4.42 0.20 -1.17 -4.87 118.68 121.50 3cdz s LEU 668 Ca -0.05 -0.10 -0.22 0.00 0.69 0.00 0.00 54.13 54.45 3cdz s LEU 668 Cb -0.07 -2.00 -0.03 0.00 -0.43 0.00 0.00 46.19 43.66 3cdz s LEU 668 CO -0.03 -0.02 0.65 0.42 -0.29 0.00 0.00 176.35 177.08 3cdz s THR 669 N 1.52 5.04 -0.09 3.68 -4.23 -1.26 0.01 115.64 120.31 3cdz s THR 669 Ca 0.06 1.28 -0.01 0.00 -1.18 0.00 0.00 61.69 61.84 3cdz s THR 669 Cb -0.15 -3.97 0.03 0.00 1.34 0.00 0.00 72.50 69.74 3cdz s THR 669 CO 0.06 0.18 -0.03 -0.76 -0.54 0.00 0.00 174.62 173.53 3cdz s LEU 670 N 1.41 0.81 0.00 4.79 1.43 0.13 -4.95 118.68 122.29 3cdz s LEU 670 Ca 0.32 -0.16 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 3cdz s LEU 670 Cb -0.16 -0.58 0.00 0.00 0.03 0.00 0.00 46.19 45.48 3cdz s LEU 670 CO 0.13 -0.16 0.00 0.49 0.23 0.00 0.00 176.35 177.03 3cdz n PHE 671 N 5.05 0.00 0.18 0.29 0.99 -1.26 0.96 117.46 123.66 3cdz n PHE 671 Ca -0.09 0.00 0.02 0.00 -0.00 0.00 0.00 57.45 57.38 3cdz n PHE 671 Cb 0.50 0.00 -0.00 0.00 -1.00 0.00 0.00 39.48 38.98 3cdz n PHE 671 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 3cdz n PRO 672 N 0.00 3.13 0.17 -1.08 -0.05 -1.26 -4.45 135.00 131.45 3cdz n PRO 672 Ca 0.00 -0.32 0.13 0.00 -0.05 0.00 0.00 63.50 63.26 3cdz n PRO 672 Cb 0.00 -0.85 0.32 0.00 -0.05 0.00 0.00 33.50 32.92 3cdz n PRO 672 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 175.50 175.72 3cdz h PHE 673 N 0.36 0.00 -1.27 0.54 -5.15 -1.93 -3.41 116.94 106.08 3cdz h PHE 673 Ca 0.00 0.00 -0.40 0.00 -0.20 0.00 0.00 57.97 57.37 3cdz h PHE 673 Cb 0.13 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.29 3cdz h PHE 673 CO 0.00 0.00 1.45 0.43 -2.00 0.00 0.00 178.31 178.19 3cdz n SER 674 N -2.70 2.01 -4.46 -0.68 7.64 -1.22 -4.76 113.62 109.45 3cdz n SER 674 Ca 0.04 -0.58 -0.40 0.00 1.01 0.00 0.00 58.87 58.95 3cdz n SER 674 Cb 0.46 -1.52 -0.11 0.00 -1.01 0.00 0.00 64.21 62.03 3cdz n SER 674 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3cdz s GLY 675 N 11.63 1.93 0.03 0.23 0.00 -1.26 -2.10 107.32 117.77 3cdz s GLY 675 Ca 1.01 -1.48 -0.03 0.00 0.00 0.00 0.00 44.72 44.23 3cdz s GLY 675 CO 0.26 0.77 0.04 -0.54 0.00 0.00 0.00 173.10 173.64 3cdz s GLU 676 N 1.65 0.48 -0.29 2.90 0.41 -0.91 -4.65 118.70 118.28 3cdz s GLU 676 Ca 0.05 -0.72 0.01 0.00 -0.41 0.00 0.00 54.97 53.90 3cdz s GLU 676 Cb -0.18 0.18 0.09 0.00 -1.78 0.00 0.00 34.13 32.44 3cdz s GLU 676 CO 0.08 -0.10 0.04 0.99 -0.49 0.00 0.00 175.26 175.78 3cdz s THR 677 N -2.21 1.34 0.55 3.63 2.01 -1.26 -2.20 115.64 117.50 3cdz s THR 677 Ca -0.09 -1.51 0.06 0.00 0.31 0.00 0.00 61.69 60.47 3cdz s THR 677 Cb -0.04 -1.89 0.06 0.00 0.01 0.00 0.00 72.50 70.65 3cdz s THR 677 CO -0.03 -0.47 0.76 0.68 -0.69 0.00 0.00 174.62 174.86 3cdz s VAL 678 N 1.41 2.48 0.01 3.82 -7.23 -0.59 -4.64 120.40 115.66 3cdz s VAL 678 Ca 0.05 -0.87 -0.03 0.00 -1.81 0.00 0.00 61.98 59.32 3cdz s VAL 678 Cb -0.18 -2.60 -0.01 0.00 0.56 0.00 0.00 36.38 34.15 3cdz s VAL 678 CO -0.15 0.00 0.04 0.12 -0.31 0.00 0.00 175.10 174.80 3cdz s PHE 679 N -2.67 0.13 -0.18 2.82 5.99 -1.21 -2.39 117.98 120.46 3cdz s PHE 679 Ca 0.60 -0.27 -0.09 0.00 0.00 0.00 0.00 56.93 57.18 3cdz s PHE 679 Cb -0.08 -0.10 0.07 0.00 0.00 0.00 0.00 43.02 42.91 3cdz s PHE 679 CO 0.38 -0.19 0.41 1.41 -0.00 0.00 0.00 175.22 177.23 3cdz s MET 680 N -1.16 0.37 -0.62 10.12 1.75 -1.24 -0.76 119.30 127.76 3cdz s MET 680 Ca -0.13 0.85 -0.21 0.00 -1.25 0.00 0.00 55.69 54.95 3cdz s MET 680 Cb -0.07 0.06 0.08 0.00 2.84 0.00 0.00 34.83 37.73 3cdz s MET 680 CO 0.00 -0.18 0.87 0.45 -0.65 0.00 0.00 175.02 175.51 3cdz s SER 681 N 1.73 6.19 -0.77 1.11 0.15 -1.26 -3.52 113.70 117.32 3cdz s SER 681 Ca -0.07 -1.06 -0.26 0.00 0.70 0.00 0.00 55.95 55.26 3cdz s SER 681 Cb -0.09 -2.38 0.02 0.00 -1.71 0.00 0.00 66.02 61.85 3cdz s SER 681 CO -0.13 -1.30 1.47 -0.04 1.20 0.00 0.00 173.24 174.44 3cdz s MET 682 N 3.60 3.10 -0.13 5.44 -1.94 -0.85 -4.72 119.30 123.79 3cdz s MET 682 Ca 0.19 -0.23 0.16 0.00 -1.71 0.00 0.00 55.69 54.10 3cdz s MET 682 Cb -0.19 -4.49 0.33 0.00 2.01 0.00 0.00 34.83 32.49 3cdz s MET 682 CO 0.10 -2.36 1.19 -0.85 -0.01 0.00 0.00 175.02 173.09 3cdz n GLU 683 N 9.22 0.70 -3.91 2.03 -0.00 -1.26 0.16 120.64 127.57 3cdz n GLU 683 Ca 0.14 -1.91 -0.30 0.00 -0.00 0.00 0.00 57.16 55.09 3cdz n GLU 683 Cb 0.50 -0.15 -0.14 0.00 -0.00 0.00 0.00 31.44 31.65 3cdz n GLU 683 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 3cdz s ASN 684 N -1.97 4.20 0.02 -1.84 2.47 -1.26 -4.91 114.94 111.64 3cdz s ASN 684 Ca 0.18 -2.95 -0.30 0.00 0.42 0.00 0.00 52.86 50.21 3cdz s ASN 684 Cb 0.28 -1.53 -0.08 0.00 -1.45 0.00 0.00 41.25 38.47 3cdz s ASN 684 CO -0.09 -0.24 1.87 -2.16 -3.72 0.00 0.00 177.10 172.76 3cdz s PRO 685 N -0.18 4.15 0.00 0.43 0.04 -1.26 -4.86 135.00 133.33 3cdz s PRO 685 Ca 0.17 2.49 0.00 0.00 0.04 0.00 0.00 61.00 63.70 3cdz s PRO 685 Cb -0.26 -4.08 0.00 0.00 0.04 0.00 0.00 34.50 30.20 3cdz s PRO 685 CO 0.00 -0.92 0.00 0.41 0.04 0.00 0.00 177.00 176.54 3cdz n GLY 686 N 4.40 0.19 3.74 0.56 0.00 -1.19 -5.00 105.19 107.90 3cdz n GLY 686 Ca 0.19 -1.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.13 3cdz n GLY 686 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3cdz s LEU 687 N 0.00 4.40 -0.05 0.99 0.05 -1.26 -3.60 118.68 119.21 3cdz s LEU 687 Ca 0.00 2.50 0.00 0.00 0.05 0.00 0.00 54.13 56.68 3cdz s LEU 687 Cb 0.00 -3.61 0.02 0.00 -2.05 0.00 0.00 46.19 40.55 3cdz s LEU 687 CO 0.00 -0.59 -0.02 0.26 -0.55 0.00 0.00 176.35 175.45 3cdz s TRP 688 N 0.08 0.62 -1.28 3.48 0.52 -0.76 -4.99 118.94 116.61 3cdz s TRP 688 Ca 0.58 -0.15 -0.16 0.00 0.02 0.00 0.00 56.10 56.39 3cdz s TRP 688 Cb -0.39 -0.65 0.10 0.00 -1.15 0.00 0.00 33.47 31.38 3cdz s TRP 688 CO 0.40 -0.22 1.69 1.51 0.02 0.00 0.00 176.95 180.34 3cdz n ILE 689 N 4.42 4.02 -1.75 2.03 3.06 -1.26 -1.44 119.36 128.44 3cdz n ILE 689 Ca -0.19 -4.23 -0.42 0.00 -2.50 0.00 0.00 62.75 55.41 3cdz n ILE 689 Cb 0.50 -2.40 -0.03 0.00 0.54 0.00 0.00 39.64 38.26 3cdz n ILE 689 CO 0.00 0.00 0.00 -0.22 -2.50 0.00 0.00 176.55 173.83 3cdz s LEU 690 N 3.26 4.36 0.00 9.51 1.98 -1.18 -4.09 118.68 132.52 3cdz s LEU 690 Ca 0.50 2.88 0.00 0.00 -2.89 0.00 0.00 54.13 54.62 3cdz s LEU 690 Cb 0.03 -3.61 0.00 0.00 0.66 0.00 0.00 46.19 43.27 3cdz s LEU 690 CO 0.05 -0.95 0.00 0.61 -1.89 0.00 0.00 176.35 174.17 3cdz n GLY 691 N 3.48 2.81 3.00 7.98 0.00 -1.26 -1.84 105.19 119.36 3cdz n GLY 691 Ca 0.14 0.06 -0.10 0.00 0.00 0.00 0.00 46.02 46.12 3cdz n GLY 691 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cdz n HIS 693 N 1.76 0.00 -3.50 0.00 -0.00 0.68 -4.35 115.22 109.81 3cdz n HIS 693 Ca -0.22 0.00 -0.39 0.00 0.46 0.00 0.00 57.72 57.57 3cdz n HIS 693 Cb 0.56 -0.20 -0.10 0.00 -0.12 0.00 0.00 29.99 30.13 3cdz n HIS 693 CO 0.00 0.00 0.00 -0.80 0.46 0.00 0.00 176.34 176.00 3cdz s ASN 694 N -2.39 6.12 -0.97 0.26 0.01 -1.25 -4.97 114.94 111.75 3cdz s ASN 694 Ca 0.01 0.08 -0.01 0.00 -0.71 0.00 0.00 52.86 52.23 3cdz s ASN 694 Cb 0.01 -2.16 0.33 0.00 0.41 0.00 0.00 41.25 39.83 3cdz s ASN 694 CO 0.02 -0.12 1.91 -1.20 -1.51 0.00 0.00 177.10 176.19 3cdz n SER 695 N 5.18 7.43 0.00 -1.22 7.64 -1.26 -3.83 113.62 127.56 3cdz n SER 695 Ca -0.12 -3.73 0.00 0.00 1.01 0.00 0.00 58.87 56.03 3cdz n SER 695 Cb 0.51 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 3cdz n SER 695 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 3cdz n ASP 696 N -0.20 0.00 -0.02 6.43 3.85 -1.26 -4.85 116.55 120.50 3cdz n ASP 696 Ca 0.50 -1.00 -0.03 0.00 -0.71 0.00 0.00 54.79 53.55 3cdz n ASP 696 Cb 0.25 0.00 -0.02 0.00 -1.35 0.00 0.00 41.12 40.00 3cdz n ASP 696 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 3cdz n PHE 697 N 0.00 0.00 0.19 2.11 3.72 -1.26 -4.42 117.46 117.80 3cdz n PHE 697 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3cdz n PHE 697 Cb 0.26 -0.15 0.02 0.00 -0.94 0.00 0.00 39.48 38.67 3cdz n PHE 697 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 3cdz n ARG 698 N -2.64 0.09 -0.01 -1.08 1.85 -1.25 0.85 116.66 114.46 3cdz n ARG 698 Ca -0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 56.77 3cdz n ARG 698 Cb 0.57 -1.11 -0.02 0.00 -1.05 0.00 0.00 32.46 30.85 3cdz n ARG 698 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 3cdz n ASN 699 N -0.61 4.24 -0.67 2.89 0.23 -1.26 -4.53 115.26 115.55 3cdz n ASN 699 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 3cdz n ASN 699 Cb 0.00 0.61 0.00 0.00 -2.08 0.00 0.00 39.78 38.32 3cdz n ASN 699 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3cdz n ARG 700 N -2.08 0.91 0.00 -3.83 5.12 0.25 -4.75 116.66 112.28 3cdz n ARG 700 Ca -0.05 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.87 3cdz n ARG 700 Cb 0.57 -1.32 0.00 0.00 -1.16 0.00 0.00 32.46 30.55 3cdz n ARG 700 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3cdz n GLY 701 N 0.21 0.72 2.38 -0.13 0.00 -0.82 -4.35 105.19 103.21 3cdz n GLY 701 Ca 0.00 -1.32 -0.17 0.00 0.00 0.00 0.00 46.02 44.52 3cdz n GLY 701 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3cdz n MET 702 N 0.00 -1.72 -4.09 1.61 0.00 -0.59 -3.95 117.12 108.39 3cdz n MET 702 Ca 0.00 0.91 -0.14 0.00 0.00 0.00 0.00 57.70 58.47 3cdz n MET 702 Cb 0.00 -5.43 -0.12 0.00 0.00 0.00 0.00 33.22 27.67 3cdz n MET 702 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 175.97 176.92 3cdz s THR 703 N -2.72 0.51 0.30 1.12 -4.23 -1.26 -4.36 115.64 105.00 3cdz s THR 703 Ca 0.00 -0.87 0.02 0.00 -1.18 0.00 0.00 61.69 59.66 3cdz s THR 703 Cb 0.00 -0.55 -0.01 0.00 1.34 0.00 0.00 72.50 73.29 3cdz s THR 703 CO 0.00 -0.26 0.07 0.00 -0.54 0.00 0.00 174.62 173.89 3cdz n ALA 704 N 1.83 0.35 -2.51 3.99 0.00 -0.77 -1.12 120.51 122.29 3cdz n ALA 704 Ca -0.20 -1.43 -0.25 0.00 0.00 0.00 0.00 53.44 51.55 3cdz n ALA 704 Cb 0.55 0.90 -0.10 0.00 0.00 0.00 0.00 19.45 20.81 3cdz n ALA 704 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3cdz s LEU 705 N 0.00 2.66 0.01 0.00 1.43 -1.26 -3.11 118.68 118.42 3cdz s LEU 705 Ca 0.09 -1.12 0.02 0.00 -1.03 0.00 0.00 54.13 52.09 3cdz s LEU 705 Cb 0.00 -1.05 -0.01 0.00 0.03 0.00 0.00 46.19 45.16 3cdz s LEU 705 CO 0.07 -0.08 -0.06 -1.48 0.23 0.00 0.00 176.35 175.02 3cdz s LEU 706 N -3.56 2.11 0.07 1.79 0.05 -0.52 -2.38 118.68 116.24 3cdz s LEU 706 Ca 0.31 -0.28 0.09 0.00 0.05 0.00 0.00 54.13 54.31 3cdz s LEU 706 Cb -0.01 -0.21 -0.03 0.00 -2.05 0.00 0.00 46.19 43.89 3cdz s LEU 706 CO 0.16 -0.05 -0.24 -1.59 -0.55 0.00 0.00 176.35 174.08 3cdz s LYS 707 N -0.71 1.75 -0.09 1.48 -2.85 -1.08 -1.83 119.74 116.41 3cdz s LYS 707 Ca -0.03 -1.16 -0.05 0.00 -1.00 0.00 0.00 55.97 53.73 3cdz s LYS 707 Cb -0.05 -2.02 0.04 0.00 -2.06 0.00 0.00 37.83 33.74 3cdz s LYS 707 CO 0.00 0.50 0.21 0.08 0.10 0.00 0.00 175.35 176.24 3cdz s VAL 708 N -0.94 -0.03 -0.14 1.79 1.01 -1.24 -2.80 120.40 118.05 3cdz s VAL 708 Ca 0.14 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.94 3cdz s VAL 708 Cb -0.10 -0.33 0.12 0.00 0.00 0.00 0.00 36.38 36.07 3cdz s VAL 708 CO 0.05 0.05 0.99 -0.94 0.00 0.00 0.00 175.10 175.25 3cdz s SER 709 N 1.01 -0.37 0.75 3.32 1.04 -1.26 -3.15 113.70 115.05 3cdz s SER 709 Ca -0.07 0.35 -0.16 0.00 0.48 0.00 0.00 55.95 56.55 3cdz s SER 709 Cb -0.09 0.31 -0.05 0.00 0.10 0.00 0.00 66.02 66.29 3cdz s SER 709 CO -0.06 -0.37 0.34 -1.20 0.98 0.00 0.00 173.24 172.93 3cdz n SER 710 N 0.61 -1.92 0.00 7.02 7.64 -1.26 -3.39 113.62 122.31 3cdz n SER 710 Ca -0.10 0.54 0.00 0.00 1.01 0.00 0.00 58.87 60.32 3cdz n SER 710 Cb 0.58 -1.14 0.00 0.00 -1.01 0.00 0.00 64.21 62.64 3cdz n SER 710 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3cdz n ASP 712 N 0.00 -1.99 0.00 0.00 10.43 -1.26 -5.17 116.55 118.55 3cdz n ASP 712 Ca 0.00 0.45 0.00 0.00 2.57 0.00 0.00 54.79 57.81 3cdz n ASP 712 Cb 0.00 2.09 0.00 0.00 1.84 0.00 0.00 41.12 45.05 3cdz n ASP 712 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42