#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3n3s s GLY 36 N 0.00 2.95 0.22 8.20 0.00 -1.26 -4.97 107.32 112.46 3n3s s GLY 36 Ca 0.00 1.48 -0.30 0.00 0.00 0.00 0.00 44.72 45.90 3n3s s GLY 36 CO 0.00 2.14 1.02 -1.59 0.00 0.00 0.00 173.10 174.67 3n3s s THR 37 N -1.14 3.91 0.40 0.90 2.01 -1.26 -5.04 115.64 115.42 3n3s s THR 37 Ca 0.53 1.81 0.07 0.00 0.31 0.00 0.00 61.69 64.42 3n3s s THR 37 Cb -0.44 -4.16 -0.07 0.00 0.01 0.00 0.00 72.50 67.84 3n3s s THR 37 CO 0.59 0.39 0.04 -0.94 -0.69 0.00 0.00 174.62 174.01 3n3s s SER 38 N -0.71 4.00 0.35 3.53 1.04 -1.26 -5.02 113.70 115.63 3n3s s SER 38 Ca 0.45 -1.27 0.04 0.00 0.48 0.00 0.00 55.95 55.64 3n3s s SER 38 Cb -0.28 -0.42 0.68 0.00 0.10 0.00 0.00 66.02 66.10 3n3s s SER 38 CO 0.35 -0.44 1.98 0.78 0.98 0.00 0.00 173.24 176.89 3n3s h ASN 39 N 1.72 0.71 0.01 7.02 2.35 -1.96 -1.45 115.58 123.97 3n3s h ASN 39 Ca -0.43 -0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.26 3n3s h ASN 39 Cb 1.24 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.44 3n3s h ASN 39 CO 0.77 0.49 -0.12 -0.09 -1.65 0.00 0.00 177.43 176.83 3n3s h ARG 40 N 0.83 0.24 -0.31 0.81 9.65 -1.97 0.90 114.38 124.53 3n3s h ARG 40 Ca 0.29 -0.05 -0.15 0.00 -1.10 0.00 0.00 59.98 58.96 3n3s h ARG 40 Cb 0.10 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 28.64 3n3s h ARG 40 CO -0.08 0.37 -0.39 -0.44 2.80 0.00 0.00 179.97 182.23 3n3s h ASP 41 N 0.23 0.87 -0.13 -3.80 3.32 -1.68 -2.99 116.42 112.25 3n3s h ASP 41 Ca 0.05 -0.49 -0.20 0.00 0.02 0.00 0.00 57.03 56.41 3n3s h ASP 41 Cb 0.35 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.66 3n3s h ASP 41 CO 0.02 1.19 -0.65 -0.50 -1.72 0.00 0.00 179.24 177.58 3n3s h TRP 42 N 0.57 0.97 -2.40 4.55 4.06 -0.88 -3.39 115.95 119.43 3n3s h TRP 42 Ca 0.04 -0.38 -0.59 0.00 2.06 0.00 0.00 58.89 60.01 3n3s h TRP 42 Cb 0.98 -0.17 -0.40 0.00 -1.00 0.00 0.00 29.16 28.58 3n3s h TRP 42 CO 0.07 1.19 -0.87 0.91 -3.56 0.00 0.00 178.44 176.18 3n3s n TRP 43 N -3.95 0.72 0.50 0.49 8.01 0.26 -4.97 117.44 118.49 3n3s n TRP 43 Ca -0.05 -3.70 0.11 0.00 -1.31 0.00 0.00 57.50 52.55 3n3s n TRP 43 Cb 0.68 -0.19 0.44 0.00 -2.01 0.00 0.00 31.31 30.23 3n3s n TRP 43 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.69 176.33 3n3s n PRO 44 N 2.03 0.14 -0.36 -0.99 -0.04 -1.13 -2.20 135.00 132.45 3n3s n PRO 44 Ca 0.26 0.32 0.11 0.00 -0.04 0.00 0.00 63.50 64.14 3n3s n PRO 44 Cb 0.45 -1.74 0.30 0.00 -0.04 0.00 0.00 33.50 32.48 3n3s n PRO 44 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3n3s n ASN 45 N -1.99 3.85 -4.84 3.54 3.02 -1.26 -4.98 115.26 112.60 3n3s n ASN 45 Ca 0.03 -2.04 -0.29 0.00 -0.03 0.00 0.00 54.58 52.25 3n3s n ASN 45 Cb 0.25 -0.45 0.09 0.00 -0.61 0.00 0.00 39.78 39.06 3n3s n ASN 45 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3n3s s GLN 46 N -1.08 1.99 0.06 3.52 -1.52 -0.93 -4.98 119.66 116.71 3n3s s GLN 46 Ca 0.45 0.39 -0.24 0.00 -1.95 0.00 0.00 55.36 54.00 3n3s s GLN 46 Cb 0.24 -1.93 -0.06 0.00 -0.22 0.00 0.00 33.01 31.04 3n3s s GLN 46 CO 0.30 -1.63 0.75 -1.17 -0.25 0.00 0.00 175.29 173.28 3n3s s LEU 47 N -5.70 4.47 -0.59 2.90 2.96 -1.26 -5.02 118.68 116.43 3n3s s LEU 47 Ca 0.61 1.44 -0.18 0.00 -0.22 0.00 0.00 54.13 55.78 3n3s s LEU 47 Cb -0.13 -3.20 0.11 0.00 0.50 0.00 0.00 46.19 43.47 3n3s s LEU 47 CO 0.52 0.05 0.66 -0.62 -1.32 0.00 0.00 176.35 175.65 3n3s s ASP 48 N -0.22 6.21 0.25 3.68 2.15 -1.26 -4.91 116.67 122.55 3n3s s ASP 48 Ca 0.37 -1.57 0.26 0.00 0.43 0.00 0.00 52.55 52.04 3n3s s ASP 48 Cb -0.21 -2.28 0.79 0.00 -0.30 0.00 0.00 42.92 40.93 3n3s s ASP 48 CO 0.23 -1.04 1.76 -0.07 -0.17 0.00 0.00 175.17 175.88 3n3s h LEU 49 N 9.65 0.00 -2.02 -1.34 3.38 -2.02 -3.28 115.31 119.69 3n3s h LEU 49 Ca -0.28 0.00 0.15 0.00 0.09 0.00 0.00 57.88 57.84 3n3s h LEU 49 Cb 1.09 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 3n3s h LEU 49 CO 1.08 0.00 0.41 0.28 0.09 0.00 0.00 178.44 180.30 3n3s h SER 50 N 0.00 0.00 0.03 -0.43 0.02 -1.98 -0.16 113.55 111.03 3n3s h SER 50 Ca 0.00 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3n3s h SER 50 Cb 0.72 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.26 3n3s h SER 50 CO 0.00 0.00 -0.00 0.16 -1.14 0.00 0.00 176.83 175.85 3n3s h ILE 51 N 0.00 0.18 -0.01 3.27 3.07 -2.00 -1.19 117.51 120.82 3n3s h ILE 51 Ca 0.24 -0.02 0.00 0.00 1.55 0.00 0.00 64.86 66.63 3n3s h ILE 51 Cb 1.05 1.02 0.00 0.00 -0.27 0.00 0.00 36.82 38.62 3n3s h ILE 51 CO -0.00 0.00 -0.14 0.18 -1.05 0.00 0.00 178.15 177.14 3n3s n LEU 52 N -3.33 0.75 -0.34 0.16 4.77 -0.07 -3.98 117.00 114.95 3n3s n LEU 52 Ca -0.03 -0.14 0.07 0.00 -0.03 0.00 0.00 56.01 55.89 3n3s n LEU 52 Cb 0.08 -0.14 0.13 0.00 -2.33 0.00 0.00 43.42 41.16 3n3s n LEU 52 CO 0.23 0.14 0.44 1.41 -1.33 0.00 0.00 177.39 178.28 3n3s n HIS 53 N -0.73 0.00 -2.08 -1.77 8.25 -0.46 -4.38 115.22 114.05 3n3s n HIS 53 Ca 0.15 -0.93 -0.28 0.00 -0.26 0.00 0.00 57.72 56.39 3n3s n HIS 53 Cb 0.30 -0.16 0.05 0.00 1.12 0.00 0.00 29.99 31.31 3n3s n HIS 53 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3n3s s ARG 54 N -2.36 2.64 -1.51 -0.41 1.81 -1.15 -4.14 118.95 113.83 3n3s s ARG 54 Ca 0.29 0.17 -0.03 0.00 -1.72 0.00 0.00 55.73 54.44 3n3s s ARG 54 Cb 0.27 -2.10 0.00 0.00 -0.45 0.00 0.00 34.95 32.67 3n3s s ARG 54 CO -0.01 -1.06 0.38 0.72 -0.68 0.00 0.00 175.30 174.65 3n3s n HIS 55 N -2.93 -1.52 -1.55 -0.53 8.25 -1.26 -4.99 115.22 110.70 3n3s n HIS 55 Ca 0.07 0.32 -0.29 0.00 -0.26 0.00 0.00 57.72 57.56 3n3s n HIS 55 Cb 0.58 -4.09 0.16 0.00 1.12 0.00 0.00 29.99 27.77 3n3s n HIS 55 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3n3s s SER 56 N -2.53 2.98 0.18 0.41 1.04 -1.26 -4.92 113.70 109.61 3n3s s SER 56 Ca 0.19 0.75 0.22 0.00 0.48 0.00 0.00 55.95 57.58 3n3s s SER 56 Cb -0.08 -1.15 0.88 0.00 0.10 0.00 0.00 66.02 65.77 3n3s s SER 56 CO 0.23 -2.86 1.66 -1.54 0.98 0.00 0.00 173.24 171.71 3n3s n SER 57 N -3.93 0.48 -0.16 7.02 3.41 -1.26 -2.67 113.62 116.50 3n3s n SER 57 Ca 0.10 0.61 -0.10 0.00 -0.26 0.00 0.00 58.87 59.21 3n3s n SER 57 Cb 0.59 -0.72 0.02 0.00 -0.26 0.00 0.00 64.21 63.85 3n3s n SER 57 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3n3s h LEU 58 N 0.00 1.01 -0.08 1.04 3.38 -1.99 -2.96 115.31 115.70 3n3s h LEU 58 Ca 0.00 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.61 3n3s h LEU 58 Cb 0.37 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.84 3n3s h LEU 58 CO 0.00 1.15 -0.27 -1.54 0.09 0.00 0.00 178.44 177.87 3n3s n SER 59 N -4.12 0.39 -4.65 -0.43 3.41 -1.09 -4.81 113.62 102.31 3n3s n SER 59 Ca 0.01 -0.14 -0.41 0.00 -0.26 0.00 0.00 58.87 58.07 3n3s n SER 59 Cb 0.43 -0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 64.30 3n3s n SER 59 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3n3s s ASP 60 N -2.86 6.74 0.38 4.04 -1.08 -1.12 -4.89 116.67 117.88 3n3s s ASP 60 Ca 0.16 0.91 0.26 0.00 -0.52 0.00 0.00 52.55 53.36 3n3s s ASP 60 Cb 0.19 -2.38 0.76 0.00 -1.46 0.00 0.00 42.92 40.02 3n3s s ASP 60 CO 0.60 -0.36 1.74 1.55 0.52 0.00 0.00 175.17 179.22 3n3s h PRO 61 N 7.56 0.00 -7.12 4.34 0.13 -1.87 -3.45 132.00 131.59 3n3s h PRO 61 Ca -0.29 0.00 -0.46 0.00 -0.87 0.00 0.00 66.00 64.39 3n3s h PRO 61 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3n3s h PRO 61 CO 0.80 0.00 0.36 -1.64 -0.23 0.00 0.00 178.00 177.29 3n3s s MET 62 N -3.29 4.04 1.04 0.86 -1.94 -1.26 -5.03 119.30 113.72 3n3s s MET 62 Ca 0.06 1.08 -0.11 0.00 -1.71 0.00 0.00 55.69 55.01 3n3s s MET 62 Cb 0.08 -2.15 0.22 0.00 2.01 0.00 0.00 34.83 34.99 3n3s s MET 62 CO 0.59 -0.20 1.09 0.20 -0.01 0.00 0.00 175.02 176.69 3n3s s GLY 63 N -2.55 1.62 0.49 -0.03 0.00 -1.26 -4.86 107.32 100.73 3n3s s GLY 63 Ca 0.61 0.25 0.26 0.00 0.00 0.00 0.00 44.72 45.84 3n3s s GLY 63 CO 0.22 0.82 2.00 0.50 0.00 0.00 0.00 173.10 176.63 3n3s h LYS 64 N -2.27 0.00 -0.03 2.90 6.56 -1.95 -1.55 116.57 120.23 3n3s h LYS 64 Ca -0.52 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.07 3n3s h LYS 64 Cb 1.30 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.96 3n3s h LYS 64 CO 0.46 0.16 0.00 -0.25 -2.06 0.00 0.00 179.45 177.76 3n3s n ASP 65 N -3.59 1.58 -4.72 0.86 8.00 -1.26 -4.93 116.55 112.49 3n3s n ASP 65 Ca -0.01 -1.54 -0.42 0.00 0.71 0.00 0.00 54.79 53.53 3n3s n ASP 65 Cb 0.30 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.36 3n3s n ASP 65 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3n3s s PHE 66 N -1.99 3.02 -0.23 1.24 5.36 -0.58 -4.98 117.98 119.82 3n3s s PHE 66 Ca 0.37 0.64 0.01 0.00 -0.96 0.00 0.00 56.93 56.99 3n3s s PHE 66 Cb 0.21 -3.95 0.06 0.00 -0.34 0.00 0.00 43.02 38.99 3n3s s PHE 66 CO 0.33 -3.47 -0.06 1.21 -1.46 0.00 0.00 175.22 171.76 3n3s s ASN 67 N 1.04 3.83 0.21 6.13 3.84 -1.26 -5.00 114.94 123.73 3n3s s ASN 67 Ca 0.69 -1.15 -0.06 0.00 0.21 0.00 0.00 52.86 52.55 3n3s s ASN 67 Cb -0.45 -1.20 0.16 0.00 -0.55 0.00 0.00 41.25 39.22 3n3s s ASN 67 CO 0.33 -0.22 1.67 0.22 -2.79 0.00 0.00 177.10 176.30 3n3s h TYR 68 N 7.95 1.02 -0.97 0.43 3.20 -1.94 -2.04 116.97 124.61 3n3s h TYR 68 Ca -0.19 -0.18 0.14 0.00 3.14 0.00 0.00 58.73 61.64 3n3s h TYR 68 Cb 1.07 -0.26 -0.09 0.00 1.54 0.00 0.00 36.73 38.99 3n3s h TYR 68 CO 0.51 0.94 0.59 0.00 -1.64 0.00 0.00 178.16 178.56 3n3s h ALA 69 N 1.08 1.50 -0.34 1.82 0.00 -1.94 0.16 119.26 121.53 3n3s h ALA 69 Ca 0.14 0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 3n3s h ALA 69 Cb 0.59 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3n3s h ALA 69 CO 0.04 0.10 -0.25 1.96 0.00 0.00 0.00 179.25 181.10 3n3s h GLN 70 N 0.87 0.69 -0.25 0.00 4.20 -1.81 -0.63 115.11 118.18 3n3s h GLN 70 Ca 0.51 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.92 3n3s h GLN 70 Cb 0.61 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.35 3n3s h GLN 70 CO -0.31 0.87 0.09 0.00 -0.67 0.00 0.00 178.83 178.81 3n3s h ALA 71 N 1.12 0.33 -0.51 3.87 0.00 -0.96 -2.98 119.26 120.14 3n3s h ALA 71 Ca 0.08 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 3n3s h ALA 71 Cb 0.74 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3n3s h ALA 71 CO 0.06 -0.06 0.05 0.35 0.00 0.00 0.00 179.25 179.65 3n3s h PHE 72 N 0.25 0.86 0.00 0.00 3.57 -0.54 -2.67 116.94 118.40 3n3s h PHE 72 Ca 0.08 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3n3s h PHE 72 Cb 0.20 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.70 3n3s h PHE 72 CO -0.00 0.76 0.00 0.93 -2.23 0.00 0.00 178.31 177.77 3n3s h GLU 73 N 0.77 0.00 -0.01 1.11 4.39 -0.96 -1.58 114.58 118.30 3n3s h GLU 73 Ca 0.16 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.86 3n3s h GLU 73 Cb 0.39 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 3n3s h GLU 73 CO 0.01 0.00 -0.34 1.63 -1.16 0.00 0.00 179.01 179.15 3n3s n LYS 74 N -2.84 0.71 -1.81 2.33 5.02 -1.02 -4.95 118.16 115.59 3n3s n LYS 74 Ca 0.01 -0.44 -0.41 0.00 -2.02 0.00 0.00 58.31 55.45 3n3s n LYS 74 Cb 0.29 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 3n3s n LYS 74 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3n3s s LEU 75 N -2.60 4.30 -0.97 -0.35 2.96 -0.60 -4.93 118.68 116.49 3n3s s LEU 75 Ca 0.21 3.02 -0.21 0.00 -0.22 0.00 0.00 54.13 56.94 3n3s s LEU 75 Cb 0.19 -3.70 0.09 0.00 0.50 0.00 0.00 46.19 43.27 3n3s s LEU 75 CO 0.56 -0.90 1.27 -0.62 -1.32 0.00 0.00 176.35 175.35 3n3s s ASP 76 N -0.20 6.57 0.34 3.68 -1.08 -1.26 -4.82 116.67 119.90 3n3s s ASP 76 Ca 0.54 -1.78 0.08 0.00 -0.52 0.00 0.00 52.55 50.87 3n3s s ASP 76 Cb -0.46 -2.48 0.61 0.00 -1.46 0.00 0.00 42.92 39.14 3n3s s ASP 76 CO 0.62 -1.26 1.80 0.25 0.52 0.00 0.00 175.17 177.10 3n3s h LEU 77 N 11.49 0.22 -0.92 -1.34 5.85 -1.93 -1.87 115.31 126.80 3n3s h LEU 77 Ca 0.18 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 3n3s h LEU 77 Cb 1.02 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.95 3n3s h LEU 77 CO 1.25 0.51 0.41 0.00 -0.34 0.00 0.00 178.44 180.27 3n3s h ALA 78 N 1.51 1.16 -0.41 1.25 0.00 -2.00 -0.76 119.26 120.01 3n3s h ALA 78 Ca 0.03 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 3n3s h ALA 78 Cb 0.62 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3n3s h ALA 78 CO 0.04 0.64 -0.02 0.00 0.00 0.00 0.00 179.25 179.92 3n3s h ALA 79 N 1.27 0.56 -0.52 0.00 0.00 -1.77 -0.48 119.26 118.32 3n3s h ALA 79 Ca 0.29 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3n3s h ALA 79 Cb 0.09 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3n3s h ALA 79 CO -0.04 0.36 0.34 0.28 0.00 0.00 0.00 179.25 180.19 3n3s h VAL 80 N 0.57 1.14 -0.71 0.00 2.07 -1.01 -1.86 116.25 116.46 3n3s h VAL 80 Ca 0.11 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 3n3s h VAL 80 Cb 0.52 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3n3s h VAL 80 CO 0.03 0.13 0.25 0.11 0.02 0.00 0.00 177.57 178.11 3n3s h LYS 81 N 0.70 1.06 -0.41 1.57 1.57 -0.87 0.71 116.57 120.90 3n3s h LYS 81 Ca 0.19 -0.20 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3n3s h LYS 81 Cb -0.07 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.05 3n3s h LYS 81 CO -0.04 0.89 0.27 0.00 -0.57 0.00 0.00 179.45 180.00 3n3s h ARG 82 N 1.03 0.53 -0.66 3.15 3.08 -0.81 -0.26 114.38 120.45 3n3s h ARG 82 Ca 0.23 -0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.30 3n3s h ARG 82 Cb 0.25 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 3n3s h ARG 82 CO -0.01 0.35 0.43 -0.44 -1.07 0.00 0.00 179.97 179.23 3n3s h ASP 83 N 0.55 0.64 0.16 7.04 3.32 -0.88 -1.50 116.42 125.75 3n3s h ASP 83 Ca 0.15 -0.00 -0.17 0.00 0.02 0.00 0.00 57.03 57.03 3n3s h ASP 83 Cb -0.05 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 3n3s h ASP 83 CO -0.04 0.43 -0.65 -0.07 -1.72 0.00 0.00 179.24 177.19 3n3s h LEU 84 N 0.74 0.54 -0.75 1.55 3.38 -0.26 -1.07 115.31 119.43 3n3s h LEU 84 Ca 0.27 -0.32 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 3n3s h LEU 84 Cb 0.15 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3n3s h LEU 84 CO -0.08 1.05 0.38 0.45 0.09 0.00 0.00 178.44 180.32 3n3s h HIS 85 N 0.34 1.06 -0.65 1.13 3.86 -0.76 -2.36 115.15 117.76 3n3s h HIS 85 Ca -0.02 -0.04 -0.06 0.00 -1.16 0.00 0.00 60.37 59.09 3n3s h HIS 85 Cb 1.21 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 29.32 3n3s h HIS 85 CO 0.04 0.77 0.16 0.00 0.86 0.00 0.00 177.93 179.76 3n3s h ALA 86 N 1.19 0.86 -0.57 2.45 0.00 -1.02 -2.37 119.26 119.80 3n3s h ALA 86 Ca 0.26 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3n3s h ALA 86 Cb 0.09 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3n3s h ALA 86 CO -0.04 0.58 0.38 1.25 0.00 0.00 0.00 179.25 181.42 3n3s h LEU 87 N 0.97 0.60 -1.31 0.00 5.85 -0.76 -3.06 115.31 117.60 3n3s h LEU 87 Ca 0.20 -0.01 0.20 0.00 0.84 0.00 0.00 57.88 59.12 3n3s h LEU 87 Cb 0.37 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.17 3n3s h LEU 87 CO 0.00 0.42 0.61 0.24 -0.34 0.00 0.00 178.44 179.38 3n3s h MET 88 N 0.70 0.53 -0.11 1.25 2.86 -0.92 -2.12 114.93 117.11 3n3s h MET 88 Ca 0.22 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.83 3n3s h MET 88 Cb 0.03 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.57 3n3s h MET 88 CO -0.06 0.35 -0.01 0.25 1.06 0.00 0.00 176.91 178.50 3n3s n THR 89 N -4.61 2.07 -3.03 2.22 -2.24 -1.16 -0.70 114.28 106.83 3n3s n THR 89 Ca 0.21 -2.15 -0.44 0.00 -2.27 0.00 0.00 64.05 59.40 3n3s n THR 89 Cb 0.66 -0.25 -0.01 0.00 -2.10 0.00 0.00 70.33 68.63 3n3s n THR 89 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3n3s s THR 90 N -2.88 5.13 0.22 4.28 2.01 -0.80 -4.93 115.64 118.67 3n3s s THR 90 Ca 0.36 -2.39 -0.30 0.00 0.31 0.00 0.00 61.69 59.67 3n3s s THR 90 Cb 0.31 -4.78 -0.09 0.00 0.01 0.00 0.00 72.50 67.95 3n3s s THR 90 CO 0.05 -1.47 1.15 -0.55 -0.69 0.00 0.00 174.62 173.11 3n3s s SER 91 N 2.81 7.17 -0.06 3.53 0.15 -1.26 -4.98 113.70 121.05 3n3s s SER 91 Ca 0.35 2.23 -0.03 0.00 0.70 0.00 0.00 55.95 59.21 3n3s s SER 91 Cb -0.05 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 61.61 3n3s s SER 91 CO -0.05 -0.28 0.09 -1.10 1.20 0.00 0.00 173.24 173.11 3n3s s GLN 92 N -0.71 3.21 0.43 5.44 -1.52 -1.26 -4.95 119.66 120.30 3n3s s GLN 92 Ca 0.49 -0.34 0.23 0.00 -1.95 0.00 0.00 55.36 53.80 3n3s s GLN 92 Cb -0.32 -2.97 0.90 0.00 -0.22 0.00 0.00 33.01 30.40 3n3s s GLN 92 CO 0.38 0.70 1.82 -0.44 -0.25 0.00 0.00 175.29 177.51 3n3s h ASP 93 N 4.58 0.00 0.63 5.90 3.45 -1.99 -1.92 116.42 127.08 3n3s h ASP 93 Ca -0.51 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.95 3n3s h ASP 93 Cb 1.20 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.97 3n3s h ASP 93 CO 0.60 0.24 0.00 -2.67 -1.57 0.00 0.00 179.24 175.84 3n3s n TRP 94 N -3.42 0.62 -2.83 4.55 4.27 -1.26 -4.15 117.44 115.23 3n3s n TRP 94 Ca 0.00 0.25 -0.08 0.00 -3.89 0.00 0.00 57.50 53.78 3n3s n TRP 94 Cb 0.43 -0.90 0.01 0.00 -1.36 0.00 0.00 31.31 29.49 3n3s n TRP 94 CO 0.00 0.00 0.00 1.87 -2.29 0.00 0.00 177.69 177.27 3n3s n TRP 95 N -2.07 -3.34 -1.92 -2.67 -0.00 -0.77 -4.99 117.44 101.68 3n3s n TRP 95 Ca 0.02 -1.71 -0.38 0.00 -0.00 0.00 0.00 57.50 55.44 3n3s n TRP 95 Cb 0.20 1.34 0.03 0.00 -0.00 0.00 0.00 31.31 32.88 3n3s n TRP 95 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 177.69 175.55 3n3s s PRO 96 N 0.68 3.19 -0.03 5.87 0.02 -0.92 -4.33 135.00 139.48 3n3s s PRO 96 Ca 0.31 2.05 -0.30 0.00 0.02 0.00 0.00 61.00 63.08 3n3s s PRO 96 Cb 0.07 -2.20 -0.03 0.00 0.02 0.00 0.00 34.50 32.36 3n3s s PRO 96 CO -0.12 -1.09 1.11 0.00 -0.33 0.00 0.00 177.00 176.57 3n3s s ALA 97 N -1.41 3.38 0.29 -1.55 0.00 -1.26 -4.50 121.76 116.70 3n3s s ALA 97 Ca 0.72 0.60 -0.30 0.00 0.00 0.00 0.00 51.96 52.98 3n3s s ALA 97 Cb -0.36 -3.44 -0.11 0.00 0.00 0.00 0.00 23.12 19.21 3n3s s ALA 97 CO 0.42 -0.54 1.53 -0.51 0.00 0.00 0.00 175.76 176.66 3n3s s ASP 98 N 1.20 6.45 -1.08 0.00 -0.00 -1.26 -1.98 116.67 120.00 3n3s s ASP 98 Ca 0.54 2.88 0.00 0.00 -0.00 0.00 0.00 52.55 55.97 3n3s s ASP 98 Cb -0.24 -2.64 0.00 0.00 -0.00 0.00 0.00 42.92 40.05 3n3s s ASP 98 CO 0.24 -0.84 0.00 0.49 -0.00 0.00 0.00 175.17 175.06 3n3s n PHE 99 N 1.97 -0.15 -1.00 4.23 3.01 -0.14 -1.04 117.46 124.35 3n3s n PHE 99 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.53 3n3s n PHE 99 Cb 0.38 -2.44 0.00 0.00 -0.01 0.00 0.00 39.48 37.41 3n3s n PHE 99 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3n3s n GLY 100 N 0.09 0.52 2.78 1.37 0.00 -0.84 -5.00 105.19 104.12 3n3s n GLY 100 Ca -0.10 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.74 3n3s n GLY 100 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3n3s s HIS 101 N -2.17 -0.11 -2.00 1.61 5.04 -0.20 -4.44 115.29 113.02 3n3s s HIS 101 Ca 0.00 0.46 0.15 0.00 -1.54 0.00 0.00 55.06 54.14 3n3s s HIS 101 Cb 0.00 -0.34 0.91 0.00 0.04 0.00 0.00 32.58 33.19 3n3s s HIS 101 CO 0.00 -0.28 1.49 0.66 -2.34 0.00 0.00 174.74 174.28 3n3s n TYR 102 N 5.32 0.00 -0.12 3.88 4.01 0.12 -4.24 117.16 126.13 3n3s n TYR 102 Ca -0.04 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.65 3n3s n TYR 102 Cb 0.50 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.54 3n3s n TYR 102 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3n3s h GLY 103 N 4.74 0.26 1.01 2.72 0.00 -1.91 -1.30 103.07 108.59 3n3s h GLY 103 Ca 0.00 0.15 -0.02 0.00 0.00 0.00 0.00 47.33 47.46 3n3s h GLY 103 CO 0.00 -0.16 0.39 -1.33 0.00 0.00 0.00 176.54 175.44 3n3s h GLY 104 N -0.02 1.10 1.08 4.60 0.00 -1.88 0.13 103.07 108.08 3n3s h GLY 104 Ca 0.19 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 3n3s h GLY 104 CO -0.42 0.49 0.35 -2.00 0.00 0.00 0.00 176.54 174.96 3n3s h LEU 105 N 1.01 1.07 -0.48 3.11 5.85 -1.73 -1.20 115.31 122.94 3n3s h LEU 105 Ca 0.25 -0.15 -0.16 0.00 0.84 0.00 0.00 57.88 58.66 3n3s h LEU 105 Cb 0.06 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 3n3s h LEU 105 CO -0.04 0.93 -0.75 -0.26 -0.34 0.00 0.00 178.44 177.98 3n3s h PHE 106 N 1.15 0.09 -0.21 1.25 0.04 -0.66 -0.86 116.94 117.74 3n3s h PHE 106 Ca 0.27 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.98 3n3s h PHE 106 Cb 0.17 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 3n3s h PHE 106 CO 0.02 0.79 0.06 0.82 -0.60 0.00 0.00 178.31 179.40 3n3s h ILE 107 N 0.04 1.19 -0.51 -0.55 2.04 -0.61 -1.01 117.51 118.10 3n3s h ILE 107 Ca -0.01 -0.61 0.06 0.00 1.00 0.00 0.00 64.86 65.29 3n3s h ILE 107 Cb 1.33 1.19 -0.05 0.00 -0.74 0.00 0.00 36.82 38.55 3n3s h ILE 107 CO 0.10 0.19 0.22 -0.09 0.00 0.00 0.00 178.15 178.58 3n3s h ARG 108 N 0.17 0.42 -0.05 2.37 2.43 -1.09 0.24 114.38 118.87 3n3s h ARG 108 Ca 0.07 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.25 3n3s h ARG 108 Cb 0.24 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.64 3n3s h ARG 108 CO -0.00 0.28 -0.37 1.98 -1.51 0.00 0.00 179.97 180.35 3n3s h MET 109 N 0.43 -0.47 -0.50 0.20 4.05 -0.97 0.20 114.93 117.86 3n3s h MET 109 Ca 0.24 0.03 -0.11 0.00 -0.28 0.00 0.00 59.70 59.58 3n3s h MET 109 Cb 0.20 0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.10 3n3s h MET 109 CO -0.20 -0.32 -0.13 0.00 0.23 0.00 0.00 176.91 176.49 3n3s h ALA 110 N 0.18 0.82 -0.92 0.39 0.00 -0.98 -0.57 119.26 118.18 3n3s h ALA 110 Ca 0.07 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3n3s h ALA 110 Cb 0.60 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 3n3s h ALA 110 CO -0.32 0.66 0.56 2.35 0.00 0.00 0.00 179.25 182.49 3n3s h TRP 111 N 0.84 1.21 -0.03 0.00 -0.00 -0.78 -1.87 115.95 115.33 3n3s h TRP 111 Ca 0.13 -0.00 -0.16 0.00 -0.00 0.00 0.00 58.89 58.85 3n3s h TRP 111 Cb 0.68 -0.40 -0.01 0.00 -0.00 0.00 0.00 29.16 29.43 3n3s h TRP 111 CO 0.04 0.80 -0.72 0.45 -0.00 0.00 0.00 178.44 179.01 3n3s h HIS 112 N 1.27 0.24 -0.03 2.65 3.86 -0.34 0.41 115.15 123.21 3n3s h HIS 112 Ca 0.33 -0.11 0.03 0.00 -1.16 0.00 0.00 60.37 59.46 3n3s h HIS 112 Cb -0.06 -0.03 -0.04 0.00 1.06 0.00 0.00 27.41 28.34 3n3s h HIS 112 CO 0.00 0.83 -0.16 1.03 0.86 0.00 0.00 177.93 180.50 3n3s h SER 113 N 0.11 -0.47 1.51 2.45 0.87 -0.64 -2.79 113.55 114.59 3n3s h SER 113 Ca -0.02 0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.57 3n3s h SER 113 Cb 1.28 0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 63.44 3n3s h SER 113 CO 0.11 -0.22 -0.22 0.00 -0.53 0.00 0.00 176.83 175.98 3n3s h ALA 114 N 0.72 0.89 0.00 6.23 0.00 -1.09 -2.98 119.26 123.04 3n3s h ALA 114 Ca 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3n3s h ALA 114 Cb 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3n3s h ALA 114 CO -0.18 0.27 0.00 0.41 0.00 0.00 0.00 179.25 179.75 3n3s n GLY 115 N 0.84 -0.99 0.49 0.00 0.00 0.14 -2.88 105.19 102.80 3n3s n GLY 115 Ca 0.02 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 45.99 3n3s n GLY 115 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3n3s n THR 116 N -1.06 0.11 -1.97 2.61 -2.24 -1.25 -4.77 114.28 105.71 3n3s n THR 116 Ca 0.20 -0.29 -0.39 0.00 -2.27 0.00 0.00 64.05 61.31 3n3s n THR 116 Cb 0.13 0.38 0.01 0.00 -2.10 0.00 0.00 70.33 68.75 3n3s n THR 116 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3n3s s TYR 117 N -1.89 2.59 -0.05 4.78 5.04 -1.14 -4.09 117.35 122.60 3n3s s TYR 117 Ca 0.35 1.41 0.02 0.00 -2.44 0.00 0.00 57.07 56.41 3n3s s TYR 117 Cb 0.19 -3.68 0.01 0.00 0.35 0.00 0.00 41.96 38.83 3n3s s TYR 117 CO 0.29 -2.35 -0.09 1.03 -1.34 0.00 0.00 175.55 173.09 3n3s s ARG 118 N -2.61 1.26 0.37 4.97 3.00 -0.69 -4.46 118.95 120.79 3n3s s ARG 118 Ca 0.64 -0.29 0.27 0.00 0.00 0.00 0.00 55.73 56.36 3n3s s ARG 118 Cb -0.37 -1.11 1.06 0.00 0.00 0.00 0.00 34.95 34.53 3n3s s ARG 118 CO 0.46 0.01 1.81 1.79 0.00 0.00 0.00 175.30 179.37 3n3s h THR 119 N 5.93 0.00 -0.67 0.02 1.35 -1.24 0.25 112.91 118.54 3n3s h THR 119 Ca -0.34 -0.41 -0.03 0.00 -0.55 0.00 0.00 66.41 65.07 3n3s h THR 119 Cb 1.17 1.29 -0.03 0.00 -1.73 0.00 0.00 68.15 68.85 3n3s h THR 119 CO 0.48 0.00 0.29 0.00 -0.25 0.00 0.00 175.52 176.04 3n3s h ALA 120 N 2.18 0.87 0.00 6.62 0.00 -1.83 -3.30 119.26 123.80 3n3s h ALA 120 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3n3s h ALA 120 Cb 0.50 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3n3s h ALA 120 CO 0.00 0.47 0.00 -0.40 0.00 0.00 0.00 179.25 179.32 3n3s n ASP 121 N -4.42 0.55 0.00 0.00 5.68 -1.22 -4.90 116.55 112.24 3n3s n ASP 121 Ca 0.05 -0.86 0.00 0.00 -0.50 0.00 0.00 54.79 53.48 3n3s n ASP 121 Cb 0.15 0.15 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 3n3s n ASP 121 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3n3s n GLY 122 N 0.15 0.86 3.85 6.12 0.00 0.07 -4.69 105.19 111.55 3n3s n GLY 122 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3n3s n GLY 122 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3n3s s ARG 123 N -0.11 2.87 0.42 1.61 0.52 -1.24 -3.27 118.95 119.75 3n3s s ARG 123 Ca 0.00 0.68 0.00 0.00 -0.52 0.00 0.00 55.73 55.89 3n3s s ARG 123 Cb 0.00 -2.00 0.00 0.00 0.52 0.00 0.00 34.95 33.47 3n3s s ARG 123 CO 0.00 -1.08 0.00 0.41 0.02 0.00 0.00 175.30 174.65 3n3s n GLY 124 N -2.51 -2.35 0.00 -3.53 0.00 -1.26 -1.70 105.19 93.84 3n3s n GLY 124 Ca 0.07 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.46 3n3s n GLY 124 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n3s n GLY 125 N -0.33 -0.31 0.02 -0.02 0.00 -1.26 -4.58 105.19 98.71 3n3s n GLY 125 Ca 0.00 -1.85 0.11 0.00 0.00 0.00 0.00 46.02 44.29 3n3s n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n3s n ALA 126 N 0.09 3.86 0.28 4.61 0.00 -1.12 -4.48 120.51 123.73 3n3s n ALA 126 Ca 0.00 -0.42 0.09 0.00 0.00 0.00 0.00 53.44 53.11 3n3s n ALA 126 Cb 0.00 -1.02 0.43 0.00 0.00 0.00 0.00 19.45 18.86 3n3s n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n3s n GLY 127 N 1.49 -0.99 0.00 0.00 0.00 -1.26 -2.14 105.19 102.28 3n3s n GLY 127 Ca 0.05 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3n3s n GLY 127 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3n3s n GLU 128 N -2.04 1.37 -2.23 1.61 1.02 -1.26 -4.25 120.64 114.86 3n3s n GLU 128 Ca 0.01 -1.04 -0.15 0.00 -0.02 0.00 0.00 57.16 55.95 3n3s n GLU 128 Cb 0.12 -0.94 -0.01 0.00 -0.02 0.00 0.00 31.44 30.59 3n3s n GLU 128 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3n3s n GLY 129 N -0.28 -0.13 0.00 0.62 0.00 -0.91 -3.49 105.19 101.00 3n3s n GLY 129 Ca 0.00 -0.24 0.12 0.00 0.00 0.00 0.00 46.02 45.90 3n3s n GLY 129 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3n3s n GLN 130 N -2.49 0.45 0.26 1.61 1.13 -1.26 -2.67 117.38 114.41 3n3s n GLN 130 Ca -0.18 0.05 0.18 0.00 -1.94 0.00 0.00 57.00 55.10 3n3s n GLN 130 Cb 0.63 -1.50 0.90 0.00 0.11 0.00 0.00 30.24 30.38 3n3s n GLN 130 CO 0.00 0.00 0.00 0.37 -1.44 0.00 0.00 177.06 175.99 3n3s h GLN 131 N 0.00 0.00 -0.01 -1.09 4.15 -1.90 -1.73 115.11 114.53 3n3s h GLN 131 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 3n3s h GLN 131 Cb 0.16 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.85 3n3s h GLN 131 CO 0.00 0.00 -0.23 2.89 -1.93 0.00 0.00 178.83 179.56 3n3s n ARG 132 N -2.75 0.83 -4.21 1.69 1.85 -1.09 -2.48 116.66 110.50 3n3s n ARG 132 Ca -0.02 -0.46 -0.24 0.00 -1.00 0.00 0.00 57.85 56.13 3n3s n ARG 132 Cb 0.10 -1.49 -0.08 0.00 -1.05 0.00 0.00 32.46 29.94 3n3s n ARG 132 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 3n3s s PHE 133 N -2.49 2.61 0.48 2.89 0.40 -0.65 -4.83 117.98 116.38 3n3s s PHE 133 Ca 0.25 -0.50 -0.23 0.00 -0.60 0.00 0.00 56.93 55.85 3n3s s PHE 133 Cb 0.19 -1.74 -0.07 0.00 0.51 0.00 0.00 43.02 41.92 3n3s s PHE 133 CO 0.51 0.32 1.24 0.00 0.70 0.00 0.00 175.22 177.99 3n3s s ALA 134 N -2.54 2.95 -0.78 5.36 0.00 -1.26 -0.24 121.76 125.25 3n3s s ALA 134 Ca 0.38 1.09 0.24 0.00 0.00 0.00 0.00 51.96 53.67 3n3s s ALA 134 Cb 0.02 -3.45 0.39 0.00 0.00 0.00 0.00 23.12 20.08 3n3s s ALA 134 CO 0.21 -0.89 1.34 -0.35 0.00 0.00 0.00 175.76 176.07 3n3s n PRO 135 N -0.59 0.17 0.08 0.00 -0.04 -1.26 -4.65 135.00 128.71 3n3s n PRO 135 Ca 0.08 0.04 0.02 0.00 -0.04 0.00 0.00 63.50 63.60 3n3s n PRO 135 Cb 0.47 -1.60 0.39 0.00 -0.04 0.00 0.00 33.50 32.72 3n3s n PRO 135 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3n3s h LEU 136 N 0.00 0.31 -1.05 1.53 3.38 -1.72 0.66 115.31 118.42 3n3s h LEU 136 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3n3s h LEU 136 Cb 0.64 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.31 3n3s h LEU 136 CO 0.00 0.39 0.01 -0.46 0.09 0.00 0.00 178.44 178.47 3n3s n ASN 137 N -4.33 0.41 -0.06 -0.43 0.23 0.67 -2.40 115.26 109.35 3n3s n ASN 137 Ca 0.00 0.69 0.01 0.00 -0.53 0.00 0.00 54.58 54.75 3n3s n ASN 137 Cb 0.21 -0.74 0.02 0.00 -2.08 0.00 0.00 39.78 37.19 3n3s n ASN 137 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 3n3s n SER 138 N -2.06 1.20 -4.77 0.53 7.64 0.18 -4.66 113.62 111.69 3n3s n SER 138 Ca -0.01 -1.83 -0.38 0.00 1.01 0.00 0.00 58.87 57.66 3n3s n SER 138 Cb 0.04 -0.08 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 3n3s n SER 138 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 3n3s s TRP 139 N -0.84 2.75 0.28 1.43 0.52 -0.96 -4.85 118.94 117.28 3n3s s TRP 139 Ca 0.04 1.47 0.00 0.00 0.02 0.00 0.00 56.10 57.64 3n3s s TRP 139 Cb 0.04 -3.54 0.52 0.00 -1.15 0.00 0.00 33.47 29.33 3n3s s TRP 139 CO 0.00 -1.93 1.84 -1.35 0.02 0.00 0.00 176.95 175.54 3n3s h PRO 140 N 2.12 1.00 0.00 4.98 0.11 -1.92 0.19 132.00 138.49 3n3s h PRO 140 Ca -0.50 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.55 3n3s h PRO 140 Cb 1.26 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3n3s h PRO 140 CO 0.60 0.66 0.00 -0.44 -0.21 0.00 0.00 178.00 178.61 3n3s h ASP 141 N 1.03 0.00 -0.45 -2.05 5.19 -1.73 -1.56 116.42 116.84 3n3s h ASP 141 Ca 0.48 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.89 3n3s h ASP 141 Cb 0.42 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.93 3n3s h ASP 141 CO -0.25 0.00 0.00 0.59 -3.12 0.00 0.00 179.24 176.46 3n3s n ASN 142 N -2.53 4.99 -4.72 6.45 3.02 0.66 -4.97 115.26 118.16 3n3s n ASN 142 Ca -0.00 -2.96 -0.42 0.00 -0.03 0.00 0.00 54.58 51.17 3n3s n ASN 142 Cb 0.14 -0.63 -0.00 0.00 -0.61 0.00 0.00 39.78 38.68 3n3s n ASN 142 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3n3s n ALA 143 N 0.19 1.61 -0.51 5.41 0.00 -0.59 -1.32 120.51 125.29 3n3s n ALA 143 Ca 0.25 0.34 0.00 0.00 0.00 0.00 0.00 53.44 54.03 3n3s n ALA 143 Cb 1.07 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 18.22 3n3s n ALA 143 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3n3s n ASN 144 N 0.59 0.00 0.21 0.00 3.02 -1.26 -4.80 115.26 113.01 3n3s n ASN 144 Ca 0.04 0.00 0.15 0.00 -0.03 0.00 0.00 54.58 54.74 3n3s n ASN 144 Cb 0.37 -2.06 0.61 0.00 -0.61 0.00 0.00 39.78 38.10 3n3s n ASN 144 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3n3s h LEU 145 N 0.00 0.00 -1.25 3.41 3.38 -1.58 -2.15 115.31 117.11 3n3s h LEU 145 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 3n3s h LEU 145 Cb 0.00 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.70 3n3s h LEU 145 CO 0.00 0.00 0.54 -2.24 0.09 0.00 0.00 178.44 176.83 3n3s h ASP 146 N 0.00 0.79 -0.28 -0.43 2.03 -1.87 -0.61 116.42 116.04 3n3s h ASP 146 Ca 0.00 0.01 -0.09 0.00 -0.73 0.00 0.00 57.03 56.22 3n3s h ASP 146 Cb 0.40 -0.16 -0.01 0.00 -0.83 0.00 0.00 39.33 38.73 3n3s h ASP 146 CO 0.00 0.50 -0.17 0.11 -1.03 0.00 0.00 179.24 178.65 3n3s h LYS 147 N 0.89 0.61 -0.15 4.15 1.79 -1.78 -1.44 116.57 120.64 3n3s h LYS 147 Ca 0.36 -0.28 0.05 0.00 -2.18 0.00 0.00 60.65 58.59 3n3s h LYS 147 Cb 0.25 -0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 30.84 3n3s h LYS 147 CO -0.13 0.87 -0.16 0.00 -1.08 0.00 0.00 179.45 178.94 3n3s h ALA 148 N 0.73 -0.07 -0.88 3.86 0.00 -1.37 -0.61 119.26 120.93 3n3s h ALA 148 Ca 0.06 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3n3s h ALA 148 Cb 0.70 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.78 3n3s h ALA 148 CO 0.05 -0.61 0.49 0.00 0.00 0.00 0.00 179.25 179.18 3n3s h ARG 149 N -0.19 1.22 -0.16 0.00 3.08 -1.08 -2.50 114.38 114.75 3n3s h ARG 149 Ca 0.10 -0.14 -0.07 0.00 0.07 0.00 0.00 59.98 59.94 3n3s h ARG 149 Cb 0.34 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3n3s h ARG 149 CO -0.26 0.89 -0.21 -0.09 -1.07 0.00 0.00 179.97 179.22 3n3s h ARG 150 N 1.23 0.28 0.00 0.04 9.65 -0.79 -1.34 114.38 123.45 3n3s h ARG 150 Ca 0.31 -0.08 -0.02 0.00 -1.10 0.00 0.00 59.98 59.09 3n3s h ARG 150 Cb 0.02 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 28.57 3n3s h ARG 150 CO -0.05 0.48 -0.07 -0.07 2.80 0.00 0.00 179.97 183.06 3n3s h LEU 151 N 0.25 0.00 -0.41 3.80 3.38 -0.67 -2.14 115.31 119.52 3n3s h LEU 151 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3n3s h LEU 151 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3n3s h LEU 151 CO 0.04 0.07 -0.30 0.18 0.09 0.00 0.00 178.44 178.52 3n3s n LEU 152 N -3.42 0.93 -0.30 1.67 4.77 -0.52 -4.35 117.00 115.79 3n3s n LEU 152 Ca -0.02 -0.22 0.02 0.00 -0.03 0.00 0.00 56.01 55.77 3n3s n LEU 152 Cb 0.22 -0.14 0.16 0.00 -2.33 0.00 0.00 43.42 41.32 3n3s n LEU 152 CO 0.27 0.18 1.16 -0.25 -1.33 0.00 0.00 177.39 177.43 3n3s h TRP 153 N 1.00 0.91 -0.88 -1.77 2.91 -1.26 -0.54 115.95 116.32 3n3s h TRP 153 Ca 0.00 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.05 3n3s h TRP 153 Cb 0.50 -0.28 -0.04 0.00 -0.51 0.00 0.00 29.16 28.83 3n3s h TRP 153 CO 0.00 0.41 0.56 -1.35 -1.03 0.00 0.00 178.44 177.03 3n3s h PRO 154 N 0.86 1.18 -0.19 2.65 0.11 -1.80 0.28 132.00 135.10 3n3s h PRO 154 Ca 0.39 -0.09 -0.03 0.00 0.11 0.00 0.00 66.00 66.38 3n3s h PRO 154 Cb 0.29 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.13 3n3s h PRO 154 CO -0.22 0.80 0.01 0.82 -0.21 0.00 0.00 178.00 179.21 3n3s h ILE 155 N 1.20 1.24 -0.98 4.15 2.04 -1.75 -1.07 117.51 122.36 3n3s h ILE 155 Ca 0.32 -0.80 0.09 0.00 1.00 0.00 0.00 64.86 65.46 3n3s h ILE 155 Cb -0.10 1.41 -0.07 0.00 -0.74 0.00 0.00 36.82 37.32 3n3s h ILE 155 CO -0.07 0.24 0.62 0.50 0.00 0.00 0.00 178.15 179.45 3n3s h LYS 156 N 0.09 1.03 -0.73 2.37 1.63 -0.28 -1.88 116.57 118.81 3n3s h LYS 156 Ca 0.05 -0.06 -0.06 0.00 -0.85 0.00 0.00 60.65 59.73 3n3s h LYS 156 Cb 0.35 -0.23 -0.03 0.00 -0.60 0.00 0.00 32.23 31.72 3n3s h LYS 156 CO 0.01 0.68 0.21 0.37 -3.45 0.00 0.00 179.45 177.27 3n3s h GLN 157 N 1.06 1.15 -0.23 1.90 4.15 -0.36 0.23 115.11 123.01 3n3s h GLN 157 Ca 0.45 -0.26 -0.13 0.00 0.77 0.00 0.00 58.65 59.48 3n3s h GLN 157 Cb 0.30 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 27.82 3n3s h GLN 157 CO -0.21 0.99 -0.39 -0.22 -1.93 0.00 0.00 178.83 177.07 3n3s h LYS 158 N 1.09 0.52 0.00 1.69 3.64 -0.57 -3.25 116.57 119.70 3n3s h LYS 158 Ca 0.23 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3n3s h LYS 158 Cb 0.33 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3n3s h LYS 158 CO -0.00 0.82 -1.57 0.66 -2.27 0.00 0.00 179.45 177.09 3n3s n TYR 159 N -4.04 0.36 -1.74 1.91 4.02 -0.76 -5.03 117.16 111.88 3n3s n TYR 159 Ca -0.01 0.10 0.00 0.00 -0.01 0.00 0.00 57.90 57.98 3n3s n TYR 159 Cb 0.50 -0.65 0.00 0.00 -0.02 0.00 0.00 39.34 39.17 3n3s n TYR 159 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3n3s n GLY 160 N 1.24 3.37 0.03 2.72 0.00 0.80 -2.93 105.19 110.42 3n3s n GLY 160 Ca -0.02 -0.19 0.12 0.00 0.00 0.00 0.00 46.02 45.93 3n3s n GLY 160 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3n3s n ARG 161 N 14.00 0.05 0.10 1.61 1.85 -1.26 -2.63 116.66 130.38 3n3s n ARG 161 Ca 0.00 0.14 0.12 0.00 -1.00 0.00 0.00 57.85 57.11 3n3s n ARG 161 Cb 0.00 -1.57 0.45 0.00 -1.05 0.00 0.00 32.46 30.29 3n3s n ARG 161 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3n3s n ALA 162 N -1.56 1.96 -3.79 2.89 0.00 -1.15 -4.46 120.51 114.40 3n3s n ALA 162 Ca 0.05 0.01 -0.24 0.00 0.00 0.00 0.00 53.44 53.27 3n3s n ALA 162 Cb 0.29 -1.41 -0.17 0.00 0.00 0.00 0.00 19.45 18.16 3n3s n ALA 162 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3n3s s ILE 163 N -3.17 0.54 0.75 0.00 2.07 -1.08 -3.87 121.20 116.43 3n3s s ILE 163 Ca 0.08 0.01 -0.11 0.00 -1.41 0.00 0.00 60.65 59.22 3n3s s ILE 163 Cb 0.11 -0.65 0.04 0.00 0.13 0.00 0.00 42.46 42.09 3n3s s ILE 163 CO 0.47 0.28 1.08 -0.94 -1.91 0.00 0.00 174.94 173.92 3n3s s SER 164 N 1.82 4.80 0.28 4.50 1.04 -1.26 -4.79 113.70 120.08 3n3s s SER 164 Ca 0.03 1.72 -0.03 0.00 0.48 0.00 0.00 55.95 58.15 3n3s s SER 164 Cb -0.12 -2.49 0.39 0.00 0.10 0.00 0.00 66.02 63.90 3n3s s SER 164 CO -0.05 -1.83 1.96 -0.50 0.98 0.00 0.00 173.24 173.79 3n3s h TRP 165 N -0.99 1.11 -0.77 5.02 4.06 -1.94 0.99 115.95 123.43 3n3s h TRP 165 Ca -0.44 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 60.52 3n3s h TRP 165 Cb 1.23 -0.37 -0.04 0.00 -1.00 0.00 0.00 29.16 28.97 3n3s h TRP 165 CO 0.59 0.70 0.40 0.00 -3.56 0.00 0.00 178.44 176.56 3n3s h ALA 166 N 1.45 0.99 -0.20 1.49 0.00 -1.87 0.18 119.26 121.29 3n3s h ALA 166 Ca 0.32 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.92 3n3s h ALA 166 Cb -0.13 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.35 3n3s h ALA 166 CO -0.07 0.52 -0.57 -0.44 0.00 0.00 0.00 179.25 178.70 3n3s h ASP 167 N 1.08 0.85 -0.73 0.00 3.32 -1.67 -3.20 116.42 116.06 3n3s h ASP 167 Ca 0.27 -0.58 0.08 0.00 0.02 0.00 0.00 57.03 56.82 3n3s h ASP 167 Cb 0.07 -0.25 -0.06 0.00 0.22 0.00 0.00 39.33 39.31 3n3s h ASP 167 CO -0.04 1.28 0.41 0.25 -1.72 0.00 0.00 179.24 179.42 3n3s h LEU 168 N 0.47 0.59 -0.53 1.55 5.85 -0.29 0.72 115.31 123.66 3n3s h LEU 168 Ca -0.01 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.78 3n3s h LEU 168 Cb 1.19 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.10 3n3s h LEU 168 CO 0.12 0.36 0.29 -0.07 -0.34 0.00 0.00 178.44 178.80 3n3s h LEU 169 N 0.72 0.44 -0.23 2.25 3.38 -0.97 -0.44 115.31 120.46 3n3s h LEU 169 Ca 0.34 0.02 -0.13 0.00 0.09 0.00 0.00 57.88 58.20 3n3s h LEU 169 Cb 0.27 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3n3s h LEU 169 CO -0.22 0.31 -0.35 0.40 0.09 0.00 0.00 178.44 178.66 3n3s h ILE 170 N 0.57 1.32 -0.97 1.22 1.08 -1.51 -2.61 117.51 116.61 3n3s h ILE 170 Ca 0.22 -1.56 0.01 0.00 -0.39 0.00 0.00 64.86 63.14 3n3s h ILE 170 Cb 0.09 1.77 -0.05 0.00 -3.07 0.00 0.00 36.82 35.56 3n3s h ILE 170 CO -0.13 0.49 0.65 0.25 -0.69 0.00 0.00 178.15 178.71 3n3s h LEU 171 N 0.34 1.12 -0.65 1.44 5.85 -0.65 -1.11 115.31 121.65 3n3s h LEU 171 Ca 0.02 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3n3s h LEU 171 Cb 0.94 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.67 3n3s h LEU 171 CO 0.08 0.81 0.35 0.74 -0.34 0.00 0.00 178.44 180.08 3n3s h THR 172 N 1.32 1.21 -0.70 1.05 2.02 -1.04 0.11 112.91 116.88 3n3s h THR 172 Ca 0.36 -0.54 -0.00 0.00 0.77 0.00 0.00 66.41 67.00 3n3s h THR 172 Cb -0.15 0.37 -0.03 0.00 -1.74 0.00 0.00 68.15 66.60 3n3s h THR 172 CO -0.08 0.23 0.43 1.23 0.37 0.00 0.00 175.52 177.70 3n3s h GLY 173 N 0.89 1.00 0.86 2.16 0.00 -0.94 -0.07 103.07 106.96 3n3s h GLY 173 Ca 0.23 -0.41 0.03 0.00 0.00 0.00 0.00 47.33 47.18 3n3s h GLY 173 CO -0.04 0.39 0.32 3.43 0.00 0.00 0.00 176.54 180.65 3n3s h ASN 174 N 0.95 0.52 -0.37 0.19 4.21 -0.74 -1.84 115.58 118.49 3n3s h ASN 174 Ca 0.25 0.01 -0.09 0.00 1.21 0.00 0.00 56.30 57.67 3n3s h ASN 174 Cb -0.05 -0.10 -0.02 0.00 -1.12 0.00 0.00 38.32 37.03 3n3s h ASN 174 CO -0.05 0.36 -0.10 0.58 -1.29 0.00 0.00 177.43 176.93 3n3s h VAL 175 N 0.64 1.26 -0.18 2.81 2.07 -0.47 -0.22 116.25 122.16 3n3s h VAL 175 Ca 0.22 -1.17 0.03 0.00 0.82 0.00 0.00 66.70 66.60 3n3s h VAL 175 Cb 0.04 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 3n3s h VAL 175 CO -0.10 0.40 -0.04 0.00 0.02 0.00 0.00 177.57 177.85 3n3s h ALA 176 N 1.15 0.12 -0.52 1.67 0.00 -0.77 0.24 119.26 121.15 3n3s h ALA 176 Ca 0.12 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.13 3n3s h ALA 176 Cb 0.59 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 3n3s h ALA 176 CO 0.04 -0.47 0.29 -0.07 0.00 0.00 0.00 179.25 179.04 3n3s h LEU 177 N 0.01 0.46 -0.57 0.00 3.38 -0.96 -1.99 115.31 115.64 3n3s h LEU 177 Ca 0.08 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.94 3n3s h LEU 177 Cb 0.12 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3n3s h LEU 177 CO -0.17 0.32 -0.25 -0.33 0.09 0.00 0.00 178.44 178.09 3n3s h GLU 178 N 0.58 0.87 -0.82 1.13 5.08 -0.52 -0.30 114.58 120.60 3n3s h GLU 178 Ca 0.22 -0.38 0.05 0.00 -1.00 0.00 0.00 59.36 58.25 3n3s h GLU 178 Cb 0.07 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.24 3n3s h GLU 178 CO -0.12 1.03 0.53 1.03 -1.00 0.00 0.00 179.01 180.48 3n3s h SER 179 N 0.75 0.82 -0.55 1.42 0.87 -0.38 -1.91 113.55 114.58 3n3s h SER 179 Ca 0.09 -0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 3n3s h SER 179 Cb 0.80 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.58 3n3s h SER 179 CO 0.07 0.54 0.00 0.23 -0.53 0.00 0.00 176.83 177.14 3n3s n MET 180 N -4.47 3.24 -0.12 2.24 2.81 -0.76 -4.91 117.12 115.15 3n3s n MET 180 Ca 0.11 -2.37 0.00 0.00 -1.81 0.00 0.00 57.70 53.63 3n3s n MET 180 Cb 0.17 -1.78 0.00 0.00 -0.71 0.00 0.00 33.22 30.90 3n3s n MET 180 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3n3s n GLY 181 N 1.03 0.93 3.37 3.03 0.00 -0.72 0.05 105.19 112.88 3n3s n GLY 181 Ca 0.21 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.81 3n3s n GLY 181 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3n3s s PHE 182 N -2.00 2.95 -0.31 1.61 5.36 -0.17 -4.79 117.98 120.63 3n3s s PHE 182 Ca 0.00 -0.72 -0.29 0.00 -0.96 0.00 0.00 56.93 54.96 3n3s s PHE 182 Cb 0.00 -2.03 0.01 0.00 -0.34 0.00 0.00 43.02 40.66 3n3s s PHE 182 CO 0.00 -0.37 1.17 0.21 -1.46 0.00 0.00 175.22 174.77 3n3s s LYS 183 N 1.04 4.00 0.59 10.12 2.20 -1.26 -3.21 119.74 133.22 3n3s s LYS 183 Ca 0.01 1.14 -0.10 0.00 -0.36 0.00 0.00 55.97 56.66 3n3s s LYS 183 Cb -0.15 -3.80 -0.04 0.00 -1.51 0.00 0.00 37.83 32.34 3n3s s LYS 183 CO 0.00 -1.00 0.98 0.95 -0.36 0.00 0.00 175.35 175.92 3n3s s THR 184 N 3.95 4.69 -0.83 3.43 -4.23 -1.26 -4.87 115.64 116.52 3n3s s THR 184 Ca 0.50 0.70 0.27 0.00 -1.18 0.00 0.00 61.69 61.98 3n3s s THR 184 Cb -0.14 -3.85 0.26 0.00 1.34 0.00 0.00 72.50 70.11 3n3s s THR 184 CO 0.19 -1.05 1.82 0.33 -0.54 0.00 0.00 174.62 175.37 3n3s n PHE 185 N -2.65 0.57 -0.23 3.99 7.35 -1.26 -5.03 117.46 120.20 3n3s n PHE 185 Ca 0.05 0.16 0.00 0.00 -0.76 0.00 0.00 57.45 56.90 3n3s n PHE 185 Cb 0.54 -0.76 0.00 0.00 0.35 0.00 0.00 39.48 39.61 3n3s n PHE 185 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3n3s n GLY 186 N 1.38 0.82 3.63 7.13 0.00 -1.26 -4.52 105.19 112.37 3n3s n GLY 186 Ca 0.06 -1.87 -0.11 0.00 0.00 0.00 0.00 46.02 44.10 3n3s n GLY 186 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3n3s s PHE 187 N -1.89 -0.69 -0.05 1.61 5.36 -0.34 -4.93 117.98 117.05 3n3s s PHE 187 Ca 0.00 1.63 0.06 0.00 -0.96 0.00 0.00 56.93 57.66 3n3s s PHE 187 Cb 0.00 0.34 -0.01 0.00 -0.34 0.00 0.00 43.02 43.02 3n3s s PHE 187 CO 0.00 -0.34 -0.22 0.00 -1.46 0.00 0.00 175.22 173.21 3n3s s ALA 188 N 0.51 1.90 0.84 11.12 0.00 -1.26 -2.72 121.76 132.14 3n3s s ALA 188 Ca -0.00 -0.91 -0.10 0.00 0.00 0.00 0.00 51.96 50.95 3n3s s ALA 188 Cb -0.05 -0.59 0.14 0.00 0.00 0.00 0.00 23.12 22.62 3n3s s ALA 188 CO -0.05 0.37 1.17 0.20 0.00 0.00 0.00 175.76 177.45 3n3s s GLY 189 N -0.12 1.74 0.00 0.00 0.00 -0.09 -4.77 107.32 104.08 3n3s s GLY 189 Ca -0.03 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.47 3n3s s GLY 189 CO 0.03 -0.60 0.00 0.61 0.00 0.00 0.00 173.10 173.13 3n3s n GLY 190 N -3.33 0.28 3.55 0.20 0.00 -1.26 -1.31 105.19 103.32 3n3s n GLY 190 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 3n3s n GLY 190 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3n3s s ARG 191 N 0.00 3.16 0.43 1.61 0.52 -1.26 -4.92 118.95 118.48 3n3s s ARG 191 Ca 0.00 -0.12 -0.24 0.00 -0.52 0.00 0.00 55.73 54.85 3n3s s ARG 191 Cb 0.00 -4.19 -0.08 0.00 0.52 0.00 0.00 34.95 31.20 3n3s s ARG 191 CO 0.00 -2.18 1.17 0.00 0.02 0.00 0.00 175.30 174.31 3n3s s ALA 192 N 6.02 3.07 0.68 2.13 0.00 -1.26 -4.18 121.76 128.21 3n3s s ALA 192 Ca 0.39 0.96 -0.14 0.00 0.00 0.00 0.00 51.96 53.17 3n3s s ALA 192 Cb -0.08 -3.38 0.01 0.00 0.00 0.00 0.00 23.12 19.66 3n3s s ALA 192 CO 0.16 -0.60 1.09 -0.51 0.00 0.00 0.00 175.76 175.90 3n3s s ASP 193 N -1.23 5.10 0.44 0.00 1.01 -1.26 -4.64 116.67 116.08 3n3s s ASP 193 Ca 0.60 1.91 0.06 0.00 0.71 0.00 0.00 52.55 55.83 3n3s s ASP 193 Cb -0.30 -2.54 -0.05 0.00 1.01 0.00 0.00 42.92 41.05 3n3s s ASP 193 CO 0.37 -1.63 0.14 0.42 0.21 0.00 0.00 175.17 174.67 3n3s s THR 194 N -2.53 2.02 0.00 -1.27 -4.23 -1.23 -5.08 115.64 103.33 3n3s s THR 194 Ca 0.65 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 59.36 3n3s s THR 194 Cb -0.19 -2.82 0.00 0.00 1.34 0.00 0.00 72.50 70.84 3n3s s THR 194 CO 0.45 0.00 0.13 0.79 -0.54 0.00 0.00 174.62 175.45 3n3s n TRP 195 N -1.22 0.00 -4.01 3.99 7.02 -1.26 -5.04 117.44 116.92 3n3s n TRP 195 Ca -0.04 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.34 3n3s n TRP 195 Cb 0.65 0.00 -0.08 0.00 -2.42 0.00 0.00 31.31 29.47 3n3s n TRP 195 CO 0.00 0.00 0.00 -1.83 -2.02 0.00 0.00 177.69 173.84 3n3s s GLU 196 N -0.30 1.14 0.55 -0.99 -1.05 -1.26 -4.98 118.70 111.81 3n3s s GLU 196 Ca 0.00 -1.25 -0.22 0.00 -0.15 0.00 0.00 54.97 53.35 3n3s s GLU 196 Cb 0.00 0.35 -0.05 0.00 -0.44 0.00 0.00 34.13 33.99 3n3s s GLU 196 CO 0.00 -0.40 1.37 -2.14 0.95 0.00 0.00 175.26 175.03 3n3s s PRO 197 N -4.00 3.13 0.54 -4.83 0.02 -1.26 -4.98 135.00 123.63 3n3s s PRO 197 Ca 0.20 2.26 -0.03 0.00 0.02 0.00 0.00 61.00 63.44 3n3s s PRO 197 Cb 0.04 -2.26 0.01 0.00 0.02 0.00 0.00 34.50 32.31 3n3s s PRO 197 CO 0.01 -1.20 0.82 0.00 -0.33 0.00 0.00 177.00 176.30 3n3s s ALA 198 N -1.29 3.49 -0.68 -1.55 0.00 -1.26 -4.99 121.76 115.48 3n3s s ALA 198 Ca 0.72 -0.87 -0.13 0.00 0.00 0.00 0.00 51.96 51.68 3n3s s ALA 198 Cb -0.41 -2.41 0.18 0.00 0.00 0.00 0.00 23.12 20.48 3n3s s ALA 198 CO 0.48 -0.67 0.60 -0.51 0.00 0.00 0.00 175.76 175.67 3n3s s ASP 199 N -4.29 6.29 -0.03 0.00 1.01 -1.26 -4.98 116.67 113.41 3n3s s ASP 199 Ca 0.52 -2.37 0.07 0.00 0.71 0.00 0.00 52.55 51.48 3n3s s ASP 199 Cb -0.10 -2.14 -0.02 0.00 1.01 0.00 0.00 42.92 41.66 3n3s s ASP 199 CO 0.42 -0.64 -0.22 -0.69 0.21 0.00 0.00 175.17 174.25 3n3s s VAL 200 N 0.67 2.38 -0.48 -1.27 1.01 -1.26 -5.09 120.40 116.36 3n3s s VAL 200 Ca 0.12 -0.99 -0.29 0.00 0.00 0.00 0.00 61.98 60.83 3n3s s VAL 200 Cb -0.19 -1.86 0.03 0.00 0.00 0.00 0.00 36.38 34.36 3n3s s VAL 200 CO -0.04 0.58 1.17 -0.47 0.00 0.00 0.00 175.10 176.34 3n3s s TYR 201 N -0.65 2.75 -2.57 5.22 5.04 -1.26 -4.86 117.35 121.02 3n3s s TYR 201 Ca 0.11 0.68 0.21 0.00 -2.44 0.00 0.00 57.07 55.63 3n3s s TYR 201 Cb -0.10 -4.45 0.22 0.00 0.35 0.00 0.00 41.96 37.98 3n3s s TYR 201 CO -0.00 -1.37 1.22 0.91 -1.34 0.00 0.00 175.55 174.96 3n3s n TRP 202 N 8.01 0.11 0.00 4.97 7.02 -1.26 -4.89 117.44 131.40 3n3s n TRP 202 Ca 0.12 -0.06 0.00 0.00 -1.02 0.00 0.00 57.50 56.54 3n3s n TRP 202 Cb 0.49 -0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.38 3n3s n TRP 202 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3n3s n GLY 203 N 1.24 3.37 0.69 6.99 0.00 -1.26 -4.88 105.19 111.33 3n3s n GLY 203 Ca 0.14 -1.79 0.09 0.00 0.00 0.00 0.00 46.02 44.46 3n3s n GLY 203 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3n3s n SER 204 N 0.00 2.44 -4.76 1.61 7.64 -1.26 -5.01 113.62 114.27 3n3s n SER 204 Ca 0.00 -1.72 -0.38 0.00 1.01 0.00 0.00 58.87 57.78 3n3s n SER 204 Cb 0.00 0.01 0.02 0.00 -1.01 0.00 0.00 64.21 63.23 3n3s n SER 204 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3n3s s GLU 205 N -1.46 3.39 0.00 1.43 8.01 -1.26 -4.87 118.70 123.93 3n3s s GLU 205 Ca 0.20 2.13 0.15 0.00 0.01 0.00 0.00 54.97 57.46 3n3s s GLU 205 Cb 0.15 -2.35 0.22 0.00 -4.31 0.00 0.00 34.13 27.83 3n3s s GLU 205 CO 0.22 -0.96 1.11 1.63 0.01 0.00 0.00 175.26 177.28 3n3s n LYS 206 N -0.76 1.70 -4.87 1.61 4.76 -1.26 -4.91 118.16 114.43 3n3s n LYS 206 Ca 0.09 -1.70 -0.29 0.00 -2.87 0.00 0.00 58.31 53.54 3n3s n LYS 206 Cb 0.45 -1.32 -0.17 0.00 -1.84 0.00 0.00 35.03 32.16 3n3s n LYS 206 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3n3s s ILE 207 N -1.19 1.65 0.29 -0.18 1.01 -1.26 -5.12 121.20 116.41 3n3s s ILE 207 Ca 0.23 -0.78 -0.29 0.00 0.00 0.00 0.00 60.65 59.81 3n3s s ILE 207 Cb 0.14 -1.46 -0.13 0.00 0.01 0.00 0.00 42.46 41.02 3n3s s ILE 207 CO 0.20 0.47 1.29 0.79 0.00 0.00 0.00 174.94 177.69 3n3s n TRP 208 N 3.74 2.07 -1.56 3.97 7.02 -1.26 -2.54 117.44 128.87 3n3s n TRP 208 Ca -0.20 0.53 -0.17 0.00 -1.02 0.00 0.00 57.50 56.64 3n3s n TRP 208 Cb 0.52 -2.40 -0.07 0.00 -2.42 0.00 0.00 31.31 26.94 3n3s n TRP 208 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 3n3s n LEU 209 N 1.38 -1.27 -4.74 -0.99 4.77 0.87 -4.93 117.00 112.10 3n3s n LEU 209 Ca 0.08 0.38 -0.42 0.00 -0.03 0.00 0.00 56.01 56.02 3n3s n LEU 209 Cb 0.33 -2.40 -0.01 0.00 -2.33 0.00 0.00 43.42 39.01 3n3s n LEU 209 CO 0.62 -0.82 1.19 1.21 -1.33 0.00 0.00 177.39 178.26 3n3s n GLU 210 N -2.52 2.62 -1.58 3.23 2.13 -1.05 -4.80 120.64 118.67 3n3s n GLU 210 Ca -0.17 0.93 -0.31 0.00 0.66 0.00 0.00 57.16 58.27 3n3s n GLU 210 Cb 0.56 -2.68 0.06 0.00 0.27 0.00 0.00 31.44 29.65 3n3s n GLU 210 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 3n3s s LEU 211 N -0.81 2.96 0.91 4.31 1.43 -1.26 -4.54 118.68 121.68 3n3s s LEU 211 Ca 0.61 1.50 -0.11 0.00 -1.03 0.00 0.00 54.13 55.10 3n3s s LEU 211 Cb -0.51 -4.30 0.14 0.00 0.03 0.00 0.00 46.19 41.55 3n3s s LEU 211 CO 0.53 -1.59 1.10 -0.94 0.23 0.00 0.00 176.35 175.67 3n3s s SER 212 N -3.86 3.24 0.00 2.29 1.04 -1.26 -4.04 113.70 111.11 3n3s s SER 212 Ca 0.59 1.74 0.00 0.00 0.48 0.00 0.00 55.95 58.76 3n3s s SER 212 Cb -0.14 -2.36 0.00 0.00 0.10 0.00 0.00 66.02 63.62 3n3s s SER 212 CO 0.55 -2.82 0.00 0.61 0.98 0.00 0.00 173.24 172.56 3n3s n GLY 213 N -0.57 0.78 1.85 7.32 0.00 -1.26 -5.06 105.19 108.25 3n3s n GLY 213 Ca 0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.96 3n3s n GLY 213 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n3s n GLY 214 N -2.00 -1.70 0.28 -0.02 0.00 -1.26 -4.86 105.19 95.63 3n3s n GLY 214 Ca 0.00 -1.62 0.15 0.00 0.00 0.00 0.00 46.02 44.54 3n3s n GLY 214 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3n3s h PRO 215 N 0.00 0.00 -0.72 1.61 0.13 -1.97 -1.98 132.00 129.08 3n3s h PRO 215 Ca -0.21 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.42 3n3s h PRO 215 Cb 0.59 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 31.39 3n3s h PRO 215 CO 0.14 0.08 -0.34 0.09 -0.23 0.00 0.00 178.00 177.74 3n3s n ASN 216 N -3.56 5.07 -4.75 1.44 3.02 -1.26 -5.08 115.26 110.13 3n3s n ASN 216 Ca -0.02 -3.77 -0.42 0.00 -0.03 0.00 0.00 54.58 50.34 3n3s n ASN 216 Cb 0.20 -0.53 -0.01 0.00 -0.61 0.00 0.00 39.78 38.83 3n3s n ASN 216 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3n3s n SER 217 N -0.83 3.73 -0.44 6.41 2.88 -0.75 -4.23 113.62 120.38 3n3s n SER 217 Ca 0.46 1.19 0.13 0.00 -1.33 0.00 0.00 58.87 59.31 3n3s n SER 217 Cb 0.90 -1.60 0.51 0.00 -0.75 0.00 0.00 64.21 63.27 3n3s n SER 217 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 3n3s n ARG 218 N 1.20 1.60 -4.56 -1.46 1.85 -1.26 -4.83 116.66 109.19 3n3s n ARG 218 Ca 0.05 -0.89 -0.31 0.00 -1.00 0.00 0.00 57.85 55.70 3n3s n ARG 218 Cb 0.38 -1.44 -0.12 0.00 -1.05 0.00 0.00 32.46 30.23 3n3s n ARG 218 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 3n3s s TYR 219 N -1.92 2.65 0.28 2.89 1.51 -1.26 -0.57 117.35 120.94 3n3s s TYR 219 Ca 0.36 -0.19 -0.03 0.00 -1.01 0.00 0.00 57.07 56.20 3n3s s TYR 219 Cb 0.19 -1.49 -0.01 0.00 -0.11 0.00 0.00 41.96 40.54 3n3s s TYR 219 CO 0.31 0.30 0.36 -1.54 -1.11 0.00 0.00 175.55 173.86 3n3s s SER 220 N -1.52 0.62 0.80 2.29 1.04 -0.62 -4.75 113.70 111.56 3n3s s SER 220 Ca 0.16 -1.38 0.00 0.00 0.48 0.00 0.00 55.95 55.21 3n3s s SER 220 Cb -0.11 0.56 0.00 0.00 0.10 0.00 0.00 66.02 66.57 3n3s s SER 220 CO 0.07 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 173.79 3n3s n GLY 221 N -0.46 2.40 3.12 7.32 0.00 -1.26 -0.81 105.19 115.50 3n3s n GLY 221 Ca 0.02 -0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.22 3n3s n GLY 221 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3n3s n ASP 222 N -0.16 4.93 -3.98 1.61 4.64 -1.26 -4.49 116.55 117.84 3n3s n ASP 222 Ca 0.00 -3.01 -0.26 0.00 -1.38 0.00 0.00 54.79 50.15 3n3s n ASP 222 Cb 0.00 -1.57 -0.03 0.00 -1.04 0.00 0.00 41.12 38.49 3n3s n ASP 222 CO 0.00 0.00 0.00 -1.14 -0.82 0.00 0.00 177.20 175.24 3n3s n ARG 223 N 5.31 -3.14 -3.35 -0.67 0.63 -1.21 -4.93 116.66 109.31 3n3s n ARG 223 Ca 0.42 0.38 -0.40 0.00 -0.92 0.00 0.00 57.85 57.33 3n3s n ARG 223 Cb 0.40 -4.46 -0.09 0.00 0.45 0.00 0.00 32.46 28.76 3n3s n ARG 223 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 3n3s s GLN 224 N -6.60 3.82 0.09 -0.14 -1.52 0.01 -4.93 119.66 110.39 3n3s s GLN 224 Ca 0.00 -0.10 -0.28 0.00 -1.95 0.00 0.00 55.36 53.03 3n3s s GLN 224 Cb -0.00 -3.73 -0.06 0.00 -0.22 0.00 0.00 33.01 29.00 3n3s s GLN 224 CO 0.90 -0.43 0.88 -1.17 -0.25 0.00 0.00 175.29 175.21 3n3s s LEU 225 N 2.15 4.49 0.17 2.90 2.96 -1.26 -1.58 118.68 128.50 3n3s s LEU 225 Ca 0.16 1.65 -0.31 0.00 -0.22 0.00 0.00 54.13 55.41 3n3s s LEU 225 Cb -0.16 -3.43 -0.09 0.00 0.50 0.00 0.00 46.19 43.01 3n3s s LEU 225 CO 0.11 -0.01 1.44 -1.83 -1.32 0.00 0.00 176.35 174.74 3n3s s GLU 226 N -0.11 4.29 0.37 1.98 -1.05 0.27 -4.90 118.70 119.55 3n3s s GLU 226 Ca 0.43 2.20 -0.27 0.00 -0.15 0.00 0.00 54.97 57.18 3n3s s GLU 226 Cb -0.22 -3.18 -0.09 0.00 -0.44 0.00 0.00 34.13 30.19 3n3s s GLU 226 CO 0.27 -0.46 1.28 -0.80 0.95 0.00 0.00 175.26 176.50 3n3s s ASN 227 N 0.84 6.57 -0.21 0.83 0.02 -1.26 -1.04 114.94 120.69 3n3s s ASN 227 Ca 0.64 2.62 0.15 0.00 -1.02 0.00 0.00 52.86 55.24 3n3s s ASN 227 Cb -0.40 -2.64 0.80 0.00 0.02 0.00 0.00 41.25 39.03 3n3s s ASN 227 CO 0.35 -0.67 1.72 -0.81 0.02 0.00 0.00 177.10 177.71 3n3s n PRO 228 N 0.44 4.63 -2.33 -0.60 -0.04 -1.26 -5.13 135.00 130.71 3n3s n PRO 228 Ca 0.02 -3.11 -0.36 0.00 -0.04 0.00 0.00 63.50 60.01 3n3s n PRO 228 Cb 0.43 -2.19 -0.01 0.00 -0.04 0.00 0.00 33.50 31.69 3n3s n PRO 228 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3n3s s LEU 229 N -2.59 3.88 -0.04 1.53 1.43 -0.20 -4.67 118.68 118.02 3n3s s LEU 229 Ca 0.54 2.17 0.11 0.00 -1.03 0.00 0.00 54.13 55.92 3n3s s LEU 229 Cb 0.40 -4.43 0.21 0.00 0.03 0.00 0.00 46.19 42.39 3n3s s LEU 229 CO 0.18 -0.99 1.09 0.00 0.23 0.00 0.00 176.35 176.86 3n3s n ALA 230 N -0.87 2.29 -2.49 4.21 0.00 -1.26 -4.83 120.51 117.56 3n3s n ALA 230 Ca 0.09 -1.84 -0.10 0.00 0.00 0.00 0.00 53.44 51.59 3n3s n ALA 230 Cb 0.50 -0.54 -0.11 0.00 0.00 0.00 0.00 19.45 19.30 3n3s n ALA 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3n3s s ALA 231 N -0.70 0.63 -0.31 0.00 0.00 -1.26 -4.65 121.76 115.46 3n3s s ALA 231 Ca 0.18 -1.03 0.23 0.00 0.00 0.00 0.00 51.96 51.34 3n3s s ALA 231 Cb 0.19 0.14 0.11 0.00 0.00 0.00 0.00 23.12 23.57 3n3s s ALA 231 CO -0.05 -0.18 1.21 -0.39 0.00 0.00 0.00 175.76 176.35 3n3s h VAL 232 N 3.73 0.00 -3.92 0.00 -1.51 -1.41 -3.46 116.25 109.68 3n3s h VAL 232 Ca -0.35 -0.97 -0.14 0.00 -1.23 0.00 0.00 66.70 64.02 3n3s h VAL 232 Cb 1.18 1.61 -0.18 0.00 -2.13 0.00 0.00 31.29 31.77 3n3s h VAL 232 CO 0.54 0.00 -0.60 -1.10 -1.23 0.00 0.00 177.57 175.18 3n3s s GLN 233 N -3.31 0.51 -0.10 5.19 -0.21 -1.26 -4.82 119.66 115.66 3n3s s GLN 233 Ca 0.02 -0.79 -0.29 0.00 0.02 0.00 0.00 55.36 54.32 3n3s s GLN 233 Cb 0.09 0.19 -0.04 0.00 1.00 0.00 0.00 33.01 34.25 3n3s s GLN 233 CO 0.75 -0.11 1.50 1.41 -2.12 0.00 0.00 175.29 176.73 3n3s s MET 234 N -2.49 4.20 0.00 2.91 -2.45 -1.26 -2.25 119.30 117.96 3n3s s MET 234 Ca -0.06 1.98 0.00 0.00 -1.25 0.00 0.00 55.69 56.36 3n3s s MET 234 Cb -0.02 -3.90 0.00 0.00 1.25 0.00 0.00 34.83 32.16 3n3s s MET 234 CO -0.04 -0.80 0.00 0.41 1.05 0.00 0.00 175.02 175.64 3n3s n GLY 235 N 3.94 0.58 3.90 2.11 0.00 -1.26 -0.09 105.19 114.36 3n3s n GLY 235 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 3n3s n GLY 235 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n3s s LEU 236 N 0.00 4.21 -0.10 0.99 1.43 -0.95 -1.91 118.68 122.35 3n3s s LEU 236 Ca 0.00 0.14 -0.15 0.00 -1.03 0.00 0.00 54.13 53.09 3n3s s LEU 236 Cb 0.00 -2.81 -0.12 0.00 0.03 0.00 0.00 46.19 43.29 3n3s s LEU 236 CO 0.00 0.10 0.48 0.40 0.23 0.00 0.00 176.35 177.56 3n3s h ILE 237 N 1.92 0.78 0.00 -0.59 1.08 -1.91 -3.46 117.51 115.33 3n3s h ILE 237 Ca -0.47 -1.45 0.00 0.00 -0.39 0.00 0.00 64.86 62.54 3n3s h ILE 237 Cb 1.18 1.43 0.00 0.00 -3.07 0.00 0.00 36.82 36.37 3n3s h ILE 237 CO 0.70 0.25 0.00 -1.22 -0.69 0.00 0.00 178.15 177.19 3n3s n TYR 238 N -4.77 0.00 -4.59 1.37 4.02 -1.26 -4.52 117.16 107.41 3n3s n TYR 238 Ca -0.05 0.00 -0.27 0.00 -0.01 0.00 0.00 57.90 57.57 3n3s n TYR 238 Cb 0.23 0.08 -0.10 0.00 -0.02 0.00 0.00 39.34 39.53 3n3s n TYR 238 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 176.86 175.99 3n3s s VAL 239 N -0.57 1.35 -0.22 -0.72 -7.23 -1.26 -1.05 120.40 110.70 3n3s s VAL 239 Ca 0.00 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 57.97 3n3s s VAL 239 Cb 0.00 -2.64 -0.02 0.00 0.56 0.00 0.00 36.38 34.28 3n3s s VAL 239 CO 0.00 0.00 0.60 0.21 -0.31 0.00 0.00 175.10 175.60 3n3s s ASN 240 N -3.67 6.61 0.09 4.85 3.84 -1.26 -4.94 114.94 120.44 3n3s s ASN 240 Ca 0.26 0.74 0.15 0.00 0.21 0.00 0.00 52.86 54.23 3n3s s ASN 240 Cb 0.06 -2.33 0.67 0.00 -0.55 0.00 0.00 41.25 39.10 3n3s s ASN 240 CO 0.13 -0.29 1.48 -0.81 -2.79 0.00 0.00 177.10 174.82 3n3s n PRO 241 N 5.29 0.06 0.17 0.43 -0.04 -1.26 -1.73 135.00 137.91 3n3s n PRO 241 Ca -0.02 0.35 0.12 0.00 -0.04 0.00 0.00 63.50 63.91 3n3s n PRO 241 Cb 0.50 -1.63 0.15 0.00 -0.04 0.00 0.00 33.50 32.48 3n3s n PRO 241 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3n3s h GLU 242 N 0.00 0.00 0.00 0.54 5.08 -1.92 -3.14 114.58 115.14 3n3s h GLU 242 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3n3s h GLU 242 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 3n3s h GLU 242 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 3n3s n GLY 243 N 1.16 1.36 3.71 -3.84 0.00 -0.71 -3.46 105.19 103.41 3n3s n GLY 243 Ca 0.03 -2.23 -0.42 0.00 0.00 0.00 0.00 46.02 43.40 3n3s n GLY 243 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3n3s s PRO 244 N -1.26 4.23 -1.11 1.61 0.02 -1.16 -0.44 135.00 136.88 3n3s s PRO 244 Ca 0.00 2.30 -0.12 0.00 0.02 0.00 0.00 61.00 63.20 3n3s s PRO 244 Cb 0.00 -3.31 0.11 0.00 0.02 0.00 0.00 34.50 31.33 3n3s s PRO 244 CO 0.00 -0.62 0.38 -0.25 -0.33 0.00 0.00 177.00 176.18 3n3s n ASP 245 N 4.48 -2.12 0.00 2.53 8.00 -1.26 -1.06 116.55 127.12 3n3s n ASP 245 Ca 0.14 -0.44 0.00 0.00 0.71 0.00 0.00 54.79 55.20 3n3s n ASP 245 Cb 0.40 -1.84 0.00 0.00 -0.02 0.00 0.00 41.12 39.66 3n3s n ASP 245 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3n3s n GLY 246 N -0.92 0.70 3.64 0.44 0.00 0.42 -5.03 105.19 104.44 3n3s n GLY 246 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 3n3s n GLY 246 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3n3s s ASN 247 N -2.29 6.27 -1.49 1.61 0.01 -0.23 -4.73 114.94 114.09 3n3s s ASN 247 Ca 0.00 0.31 -0.10 0.00 -0.71 0.00 0.00 52.86 52.37 3n3s s ASN 247 Cb 0.00 -2.19 0.01 0.00 0.41 0.00 0.00 41.25 39.48 3n3s s ASN 247 CO 0.00 -0.09 2.57 -0.81 -1.51 0.00 0.00 177.10 177.26 3n3s n PRO 248 N 4.83 3.75 -3.71 -0.60 -0.04 -1.22 -2.99 135.00 135.01 3n3s n PRO 248 Ca -0.10 -2.72 -0.38 0.00 -0.04 0.00 0.00 63.50 60.26 3n3s n PRO 248 Cb 0.51 -2.87 -0.12 0.00 -0.04 0.00 0.00 33.50 30.99 3n3s n PRO 248 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3n3s s ASP 249 N 1.79 5.41 0.47 3.54 -1.08 -1.26 -4.99 116.67 120.55 3n3s s ASP 249 Ca 0.59 -1.35 0.18 0.00 -0.52 0.00 0.00 52.55 51.44 3n3s s ASP 249 Cb 0.16 -1.90 1.13 0.00 -1.46 0.00 0.00 42.92 40.86 3n3s s ASP 249 CO -0.07 -0.42 2.02 -0.65 0.52 0.00 0.00 175.17 176.58 3n3s h PRO 250 N 8.26 0.00 -0.08 4.34 0.11 -1.89 0.61 132.00 143.35 3n3s h PRO 250 Ca -0.22 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.84 3n3s h PRO 250 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3n3s h PRO 250 CO 0.66 0.16 -0.14 0.28 -0.21 0.00 0.00 178.00 178.75 3n3s h VAL 251 N 0.00 1.40 -0.07 3.15 2.07 -1.91 -1.28 116.25 119.61 3n3s h VAL 251 Ca -0.00 -1.42 -0.08 0.00 0.82 0.00 0.00 66.70 66.02 3n3s h VAL 251 Cb 0.31 2.15 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 3n3s h VAL 251 CO 0.02 0.40 -0.32 0.00 0.02 0.00 0.00 177.57 177.69 3n3s h ALA 252 N 0.51 1.34 -0.38 1.67 0.00 -1.91 -2.63 119.26 117.86 3n3s h ALA 252 Ca 0.00 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.49 3n3s h ALA 252 Cb 0.71 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3n3s h ALA 252 CO 0.03 0.47 -0.18 0.00 0.00 0.00 0.00 179.25 179.57 3n3s h ALA 253 N 1.56 0.98 -0.36 0.00 0.00 -0.75 -2.31 119.26 118.38 3n3s h ALA 253 Ca 0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3n3s h ALA 253 Cb 0.62 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3n3s h ALA 253 CO 0.05 0.60 0.17 0.00 0.00 0.00 0.00 179.25 180.06 3n3s h ALA 254 N 1.17 1.61 -0.56 0.00 0.00 -0.86 -0.13 119.26 120.50 3n3s h ALA 254 Ca 0.10 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3n3s h ALA 254 Cb 0.66 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3n3s h ALA 254 CO 0.05 0.31 0.06 0.00 0.00 0.00 0.00 179.25 179.67 3n3s h ARG 255 N 0.50 0.93 -0.33 0.00 3.08 -1.32 0.51 114.38 117.74 3n3s h ARG 255 Ca 0.13 -0.24 -0.15 0.00 0.07 0.00 0.00 59.98 59.79 3n3s h ARG 255 Cb 0.07 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 3n3s h ARG 255 CO -0.02 0.88 -0.38 -0.44 -1.07 0.00 0.00 179.97 178.94 3n3s h ASP 256 N 0.87 0.84 -0.05 7.04 3.32 -1.13 -1.98 116.42 125.32 3n3s h ASP 256 Ca 0.17 -0.37 0.01 0.00 0.02 0.00 0.00 57.03 56.86 3n3s h ASP 256 Cb 0.43 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3n3s h ASP 256 CO 0.01 1.12 0.00 0.40 -1.72 0.00 0.00 179.24 179.06 3n3s h ILE 257 N 0.65 0.97 -0.46 0.35 2.04 -0.81 -0.16 117.51 120.08 3n3s h ILE 257 Ca 0.06 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 3n3s h ILE 257 Cb 0.93 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 3n3s h ILE 257 CO 0.09 0.00 0.25 -0.09 0.00 0.00 0.00 178.15 178.41 3n3s h ARG 258 N 0.02 0.64 -0.33 2.37 2.43 -0.85 0.78 114.38 119.44 3n3s h ARG 258 Ca 0.02 -0.07 -0.12 0.00 -0.81 0.00 0.00 59.98 59.00 3n3s h ARG 258 Cb 0.03 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 3n3s h ARG 258 CO -0.04 0.50 -0.27 0.22 -1.51 0.00 0.00 179.97 178.87 3n3s h ASP 259 N 0.61 0.81 -0.08 -3.80 3.58 -1.22 -1.14 116.42 115.19 3n3s h ASP 259 Ca 0.16 -0.45 -0.20 0.00 0.42 0.00 0.00 57.03 56.96 3n3s h ASP 259 Cb 0.05 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 40.87 3n3s h ASP 259 CO -0.03 1.09 -0.71 0.71 -2.88 0.00 0.00 179.24 177.43 3n3s h THR 260 N 0.54 1.30 -0.22 2.25 1.35 -0.88 -1.59 112.91 115.66 3n3s h THR 260 Ca 0.06 -1.95 -0.07 0.00 -0.55 0.00 0.00 66.41 63.90 3n3s h THR 260 Cb 0.84 1.93 -0.01 0.00 -1.73 0.00 0.00 68.15 69.17 3n3s h THR 260 CO 0.07 0.61 -0.17 -0.26 -0.25 0.00 0.00 175.52 175.52 3n3s h PHE 261 N 0.50 0.41 -0.55 4.73 -1.00 -0.86 -2.26 116.94 117.92 3n3s h PHE 261 Ca -0.03 -0.07 -0.07 0.00 2.81 0.00 0.00 57.97 60.61 3n3s h PHE 261 Cb 1.32 -0.11 -0.02 0.00 3.61 0.00 0.00 35.95 40.75 3n3s h PHE 261 CO 0.07 0.54 0.05 0.00 -1.61 0.00 0.00 178.31 177.37 3n3s h ALA 262 N 1.47 1.06 0.00 2.45 0.00 -1.01 0.10 119.26 123.32 3n3s h ALA 262 Ca 0.06 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3n3s h ALA 262 Cb 0.51 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3n3s h ALA 262 CO 0.03 0.60 0.00 0.54 0.00 0.00 0.00 179.25 180.42 3n3s n ARG 263 N -4.22 0.21 -0.43 0.00 1.74 -0.62 -1.37 116.66 111.97 3n3s n ARG 263 Ca 0.03 0.15 0.07 0.00 -0.77 0.00 0.00 57.85 57.33 3n3s n ARG 263 Cb 0.29 -1.50 0.23 0.00 -1.02 0.00 0.00 32.46 30.46 3n3s n ARG 263 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3n3s n MET 264 N -1.28 2.43 -1.07 5.56 2.81 -0.11 -0.68 117.12 124.78 3n3s n MET 264 Ca 0.07 -2.85 -0.02 0.00 -1.81 0.00 0.00 57.70 53.08 3n3s n MET 264 Cb 0.11 -1.78 -0.01 0.00 -0.71 0.00 0.00 33.22 30.83 3n3s n MET 264 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3n3s n ALA 265 N -0.79 -0.04 -2.83 3.04 0.00 -0.47 -4.86 120.51 114.56 3n3s n ALA 265 Ca 0.22 0.04 -0.33 0.00 0.00 0.00 0.00 53.44 53.37 3n3s n ALA 265 Cb 0.87 -0.62 -0.14 0.00 0.00 0.00 0.00 19.45 19.56 3n3s n ALA 265 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3n3s s MET 266 N -1.86 3.01 0.00 0.00 -1.94 -0.44 -4.99 119.30 113.08 3n3s s MET 266 Ca 0.00 -0.70 0.00 0.00 -1.71 0.00 0.00 55.69 53.28 3n3s s MET 266 Cb 0.00 -2.51 0.00 0.00 2.01 0.00 0.00 34.83 34.33 3n3s s MET 266 CO 0.00 0.38 0.00 0.27 -0.01 0.00 0.00 175.02 175.66 3n3s n ASN 267 N 3.02 0.00 -0.03 3.03 0.23 -1.26 -3.28 115.26 116.97 3n3s n ASN 267 Ca -0.18 -0.97 -0.12 0.00 -0.53 0.00 0.00 54.58 52.79 3n3s n ASN 267 Cb 0.52 0.00 -0.06 0.00 -2.08 0.00 0.00 39.78 38.16 3n3s n ASN 267 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3n3s h ASP 268 N 0.00 0.19 -0.49 0.53 5.19 -1.99 -0.78 116.42 119.08 3n3s h ASP 268 Ca 0.00 -0.24 0.06 0.00 -0.62 0.00 0.00 57.03 56.22 3n3s h ASP 268 Cb 0.00 -0.05 -0.05 0.00 0.18 0.00 0.00 39.33 39.41 3n3s h ASP 268 CO 0.00 0.39 0.21 -0.08 -3.12 0.00 0.00 179.24 176.63 3n3s h GLU 269 N -0.01 0.39 -0.62 3.56 4.81 -1.98 -1.32 114.58 119.43 3n3s h GLU 269 Ca 0.04 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 3n3s h GLU 269 Cb 0.27 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 3n3s h GLU 269 CO 0.00 0.26 0.12 0.93 -0.73 0.00 0.00 179.01 179.60 3n3s h GLU 270 N 0.41 0.99 -0.19 1.92 5.08 -1.90 -0.75 114.58 120.14 3n3s h GLU 270 Ca 0.23 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3n3s h GLU 270 Cb 0.20 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3n3s h GLU 270 CO -0.20 0.90 -0.02 1.15 -1.00 0.00 0.00 179.01 179.84 3n3s h THR 271 N 0.94 1.27 -0.53 1.13 2.02 -0.87 -0.29 112.91 116.58 3n3s h THR 271 Ca 0.19 -0.93 -0.08 0.00 0.77 0.00 0.00 66.41 66.37 3n3s h THR 271 Cb 0.37 1.50 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 3n3s h THR 271 CO 0.01 0.28 0.00 0.58 0.37 0.00 0.00 175.52 176.76 3n3s h VAL 272 N 0.08 1.26 -0.87 3.16 2.07 -1.16 -0.65 116.25 120.14 3n3s h VAL 272 Ca 0.05 -1.10 0.05 0.00 0.82 0.00 0.00 66.70 66.52 3n3s h VAL 272 Cb 0.43 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 31.06 3n3s h VAL 272 CO 0.01 0.39 0.55 0.00 0.02 0.00 0.00 177.57 178.54 3n3s h ALA 273 N 0.95 1.18 -0.09 1.67 0.00 -0.95 -1.52 119.26 120.50 3n3s h ALA 273 Ca 0.15 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.92 3n3s h ALA 273 Cb 0.53 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.06 3n3s h ALA 273 CO 0.03 0.33 -0.42 -0.07 0.00 0.00 0.00 179.25 179.12 3n3s h LEU 274 N 1.02 0.53 0.04 0.00 3.38 -0.71 0.67 115.31 120.24 3n3s h LEU 274 Ca 0.37 -0.64 -0.00 0.00 0.09 0.00 0.00 57.88 57.70 3n3s h LEU 274 Cb 0.12 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3n3s h LEU 274 CO -0.15 1.08 -0.02 0.40 0.09 0.00 0.00 178.44 179.84 3n3s h ILE 275 N 0.01 1.26 -0.15 1.22 2.04 -0.97 0.44 117.51 121.37 3n3s h ILE 275 Ca -0.03 -0.99 -0.06 0.00 1.00 0.00 0.00 64.86 64.78 3n3s h ILE 275 Cb 1.06 1.92 -0.01 0.00 -0.74 0.00 0.00 36.82 39.05 3n3s h ILE 275 CO 0.09 0.25 -0.20 0.00 0.00 0.00 0.00 178.15 178.28 3n3s h ALA 276 N 0.44 1.39 0.04 1.87 0.00 -1.37 -1.41 119.26 120.22 3n3s h ALA 276 Ca -0.01 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3n3s h ALA 276 Cb 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3n3s h ALA 276 CO 0.01 0.42 -0.02 0.78 0.00 0.00 0.00 179.25 180.44 3n3s h GLY 277 N 0.88 -0.05 1.00 0.00 0.00 -0.78 -2.12 103.07 102.01 3n3s h GLY 277 Ca 0.04 0.02 0.01 0.00 0.00 0.00 0.00 47.33 47.39 3n3s h GLY 277 CO 0.03 -0.02 0.33 -1.33 0.00 0.00 0.00 176.54 175.56 3n3s h GLY 278 N -0.32 0.71 -0.56 4.60 0.00 -0.82 -2.68 103.07 103.99 3n3s h GLY 278 Ca -0.00 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.06 3n3s h GLY 278 CO 0.01 0.26 0.00 1.42 0.00 0.00 0.00 176.54 178.22 3n3s n HIS 279 N -4.74 0.19 0.29 5.60 8.25 -0.54 -1.71 115.22 122.56 3n3s n HIS 279 Ca 0.02 -0.09 0.17 0.00 -0.26 0.00 0.00 57.72 57.56 3n3s n HIS 279 Cb 0.02 -0.01 0.65 0.00 1.12 0.00 0.00 29.99 31.77 3n3s n HIS 279 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3n3s h THR 280 N 0.78 0.00 -4.06 1.59 2.02 -1.02 -3.42 112.91 108.80 3n3s h THR 280 Ca 0.00 -0.51 -0.69 0.00 0.77 0.00 0.00 66.41 65.98 3n3s h THR 280 Cb 0.22 1.49 -0.23 0.00 -1.74 0.00 0.00 68.15 67.88 3n3s h THR 280 CO 0.01 0.00 -0.85 -0.36 0.37 0.00 0.00 175.52 174.69 3n3s s PHE 281 N -3.62 2.41 0.00 3.16 0.40 -0.69 -4.67 117.98 114.96 3n3s s PHE 281 Ca 0.02 -0.35 0.00 0.00 -0.60 0.00 0.00 56.93 56.00 3n3s s PHE 281 Cb 0.09 -1.37 0.00 0.00 0.51 0.00 0.00 43.02 42.24 3n3s s PHE 281 CO 0.54 0.24 0.00 0.41 0.70 0.00 0.00 175.22 177.10 3n3s n GLY 282 N 1.41 -0.58 3.74 4.36 0.00 -0.27 -4.89 105.19 108.97 3n3s n GLY 282 Ca -0.17 -1.12 -0.08 0.00 0.00 0.00 0.00 46.02 44.65 3n3s n GLY 282 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3n3s s LYS 283 N 0.00 1.66 0.61 1.61 -2.85 -1.26 -4.18 119.74 115.33 3n3s s LYS 283 Ca 0.00 -0.97 0.01 0.00 -1.00 0.00 0.00 55.97 54.01 3n3s s LYS 283 Cb 0.00 0.58 0.07 0.00 -2.06 0.00 0.00 37.83 36.41 3n3s s LYS 283 CO 0.00 -0.74 0.85 0.95 0.10 0.00 0.00 175.35 176.51 3n3s s THR 284 N -3.91 2.46 -0.10 3.79 -4.23 0.13 -5.00 115.64 108.78 3n3s s THR 284 Ca 0.12 -0.64 -0.02 0.00 -1.18 0.00 0.00 61.69 59.97 3n3s s THR 284 Cb -0.04 -2.83 0.03 0.00 1.34 0.00 0.00 72.50 71.01 3n3s s THR 284 CO 0.04 0.00 0.01 -1.00 -0.54 0.00 0.00 174.62 173.13 3n3s s HIS 285 N -2.90 0.77 -0.44 3.99 0.09 -0.99 -4.38 115.29 111.43 3n3s s HIS 285 Ca 0.60 -0.33 0.07 0.00 -0.00 0.00 0.00 55.06 55.40 3n3s s HIS 285 Cb -0.09 -0.87 0.34 0.00 -0.00 0.00 0.00 32.58 31.97 3n3s s HIS 285 CO 0.41 -0.39 1.19 0.41 -0.00 0.00 0.00 174.74 176.35 3n3s n GLY 286 N 5.12 0.73 0.23 -2.22 0.00 -0.60 -0.80 105.19 107.66 3n3s n GLY 286 Ca -0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.08 3n3s n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n3s h ALA 287 N 2.70 0.98 -2.97 4.61 0.00 -1.66 -3.29 119.26 119.64 3n3s h ALA 287 Ca -0.16 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 3n3s h ALA 287 Cb 1.16 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 3n3s h ALA 287 CO 0.07 0.05 0.08 0.20 0.00 0.00 0.00 179.25 179.65 3n3s s GLY 288 N -4.22 0.77 0.32 0.00 0.00 -1.26 -4.78 107.32 98.15 3n3s s GLY 288 Ca 0.05 -1.02 -0.29 0.00 0.00 0.00 0.00 44.72 43.46 3n3s s GLY 288 CO 0.63 -0.57 1.51 -1.05 0.00 0.00 0.00 173.10 173.62 3n3s n PRO 289 N -0.53 2.57 0.33 2.90 -0.02 -1.26 -4.19 135.00 134.79 3n3s n PRO 289 Ca -0.04 0.91 0.21 0.00 -2.02 0.00 0.00 63.50 62.55 3n3s n PRO 289 Cb 0.61 -2.64 1.16 0.00 -0.02 0.00 0.00 33.50 32.60 3n3s n PRO 289 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3n3s h ALA 290 N 3.83 1.12 0.00 3.55 0.00 -1.93 -1.89 119.26 123.93 3n3s h ALA 290 Ca -0.48 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3n3s h ALA 290 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3n3s h ALA 290 CO 0.72 0.00 0.00 0.66 0.00 0.00 0.00 179.25 180.63 3n3s h SER 291 N 0.00 0.00 0.80 0.00 4.64 -1.96 -1.09 113.55 115.94 3n3s h SER 291 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3n3s h SER 291 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3n3s h SER 291 CO 0.00 0.00 0.00 0.78 -0.87 0.00 0.00 176.83 176.74 3n3s h ASN 292 N 0.00 0.00 -3.35 4.97 2.35 -1.70 -3.45 115.58 114.40 3n3s h ASN 292 Ca 0.00 0.00 -0.57 0.00 -0.55 0.00 0.00 56.30 55.18 3n3s h ASN 292 Cb 0.10 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.40 3n3s h ASN 292 CO 0.00 0.00 0.22 -0.69 -1.65 0.00 0.00 177.43 175.31 3n3s s VAL 293 N -3.49 4.97 0.00 2.81 1.01 -0.41 -1.17 120.40 124.12 3n3s s VAL 293 Ca 0.02 1.51 0.00 0.00 0.00 0.00 0.00 61.98 63.52 3n3s s VAL 293 Cb 0.09 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.39 3n3s s VAL 293 CO 0.45 0.14 0.00 0.61 0.00 0.00 0.00 175.10 176.30 3n3s n GLY 294 N 3.33 0.82 3.72 4.51 0.00 0.65 -4.95 105.19 113.27 3n3s n GLY 294 Ca 0.01 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 3n3s n GLY 294 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n3s n ALA 295 N -3.00 1.79 -0.85 4.61 0.00 -1.26 -3.92 120.51 117.89 3n3s n ALA 295 Ca 0.00 0.37 -0.29 0.00 0.00 0.00 0.00 53.44 53.51 3n3s n ALA 295 Cb 0.00 -2.34 0.19 0.00 0.00 0.00 0.00 19.45 17.29 3n3s n ALA 295 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 3n3s s GLU 296 N -1.30 0.40 0.22 0.00 1.03 -1.26 -0.16 118.70 117.63 3n3s s GLU 296 Ca 0.60 1.00 -0.07 0.00 0.03 0.00 0.00 54.97 56.52 3n3s s GLU 296 Cb -0.55 -1.70 0.33 0.00 -0.80 0.00 0.00 34.13 31.42 3n3s s GLU 296 CO 0.57 -2.88 1.76 -1.35 -1.33 0.00 0.00 175.26 172.02 3n3s h PRO 297 N -2.02 0.49 0.00 -4.83 0.11 -1.83 -0.54 132.00 123.38 3n3s h PRO 297 Ca -0.52 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.56 3n3s h PRO 297 Cb 1.30 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3n3s h PRO 297 CO 0.50 0.32 0.00 0.93 -0.21 0.00 0.00 178.00 179.54 3n3s h GLU 298 N 0.50 0.00 0.00 1.05 4.39 -1.90 -2.58 114.58 116.04 3n3s h GLU 298 Ca 0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.04 3n3s h GLU 298 Cb 0.41 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 3n3s h GLU 298 CO -0.30 0.00 -1.02 0.00 -1.16 0.00 0.00 179.01 176.53 3n3s n ALA 299 N -1.85 4.28 -1.49 3.43 0.00 -0.29 -5.02 120.51 119.56 3n3s n ALA 299 Ca 0.02 -0.53 -0.30 0.00 0.00 0.00 0.00 53.44 52.62 3n3s n ALA 299 Cb 0.24 -0.69 0.08 0.00 0.00 0.00 0.00 19.45 19.08 3n3s n ALA 299 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3n3s s ALA 300 N -2.87 2.33 0.84 0.00 0.00 -0.74 -4.89 121.76 116.44 3n3s s ALA 300 Ca 0.05 -0.04 -0.10 0.00 0.00 0.00 0.00 51.96 51.87 3n3s s ALA 300 Cb 0.14 -3.16 0.10 0.00 0.00 0.00 0.00 23.12 20.21 3n3s s ALA 300 CO 0.79 -1.62 1.11 0.20 0.00 0.00 0.00 175.76 176.24 3n3s s GLY 301 N -3.76 1.67 0.50 0.00 0.00 -1.26 -4.90 107.32 99.57 3n3s s GLY 301 Ca 0.60 0.37 0.22 0.00 0.00 0.00 0.00 44.72 45.92 3n3s s GLY 301 CO 0.55 0.76 2.06 1.19 0.00 0.00 0.00 173.10 177.66 3n3s h ILE 302 N -1.48 0.79 0.00 0.90 2.10 -1.98 -1.40 117.51 116.45 3n3s h ILE 302 Ca -0.44 -0.51 0.00 0.00 1.08 0.00 0.00 64.86 64.99 3n3s h ILE 302 Cb 1.25 1.30 0.00 0.00 -1.09 0.00 0.00 36.82 38.28 3n3s h ILE 302 CO 0.48 0.13 0.00 -1.84 -1.08 0.00 0.00 178.15 175.83 3n3s n GLU 303 N -3.95 0.23 0.26 2.19 0.00 -1.26 -1.34 120.64 116.77 3n3s n GLU 303 Ca -0.02 0.35 0.17 0.00 0.00 0.00 0.00 57.16 57.66 3n3s n GLU 303 Cb 0.22 -1.86 0.78 0.00 0.00 0.00 0.00 31.44 30.59 3n3s n GLU 303 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3n3s h ALA 304 N 2.35 1.00 -6.34 -1.84 0.00 -1.58 -3.47 119.26 109.38 3n3s h ALA 304 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.44 3n3s h ALA 304 Cb 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 3n3s h ALA 304 CO 0.00 0.00 -0.86 1.04 0.00 0.00 0.00 179.25 179.43 3n3s n GLN 305 N -2.90 -3.96 -0.28 0.00 1.13 -0.45 -1.96 117.38 108.97 3n3s n GLN 305 Ca -0.00 0.49 0.00 0.00 -1.94 0.00 0.00 57.00 55.55 3n3s n GLN 305 Cb 0.22 -4.81 0.00 0.00 0.11 0.00 0.00 30.24 25.76 3n3s n GLN 305 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3n3s n GLY 306 N -1.81 1.01 4.01 1.08 0.00 -1.26 -5.05 105.19 103.17 3n3s n GLY 306 Ca -0.29 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.55 3n3s n GLY 306 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n3s s LEU 307 N 0.00 3.49 0.00 0.99 1.43 -0.83 -4.88 118.68 118.88 3n3s s LEU 307 Ca 0.00 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.65 3n3s s LEU 307 Cb 0.00 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.74 3n3s s LEU 307 CO 0.00 -0.95 0.00 0.61 0.23 0.00 0.00 176.35 176.24 3n3s n GLY 308 N -2.01 2.68 3.77 -3.19 0.00 -1.26 -4.46 105.19 100.72 3n3s n GLY 308 Ca 0.10 -1.08 -0.29 0.00 0.00 0.00 0.00 46.02 44.75 3n3s n GLY 308 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3n3s n TRP 309 N 0.00 -2.01 -1.79 1.61 8.01 0.78 -4.84 117.44 119.19 3n3s n TRP 309 Ca 0.00 0.73 -0.42 0.00 -1.31 0.00 0.00 57.50 56.50 3n3s n TRP 309 Cb 0.00 -3.47 -0.02 0.00 -2.01 0.00 0.00 31.31 25.81 3n3s n TRP 309 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.69 176.89 3n3s s LYS 310 N -6.46 4.14 -0.11 -0.99 2.20 -1.26 -4.42 119.74 112.85 3n3s s LYS 310 Ca 0.59 2.55 -0.01 0.00 -0.36 0.00 0.00 55.97 58.74 3n3s s LYS 310 Cb -0.30 -3.06 -0.03 0.00 -1.51 0.00 0.00 37.83 32.93 3n3s s LYS 310 CO 0.72 -0.65 -0.07 0.45 -0.36 0.00 0.00 175.35 175.44 3n3s s SER 311 N 0.76 4.57 0.00 1.43 0.15 -1.26 -0.25 113.70 119.10 3n3s s SER 311 Ca 0.67 -0.11 0.29 0.00 0.70 0.00 0.00 55.95 57.50 3n3s s SER 311 Cb -0.48 -1.43 1.43 0.00 -1.71 0.00 0.00 66.02 63.83 3n3s s SER 311 CO 0.41 0.27 1.95 0.00 1.20 0.00 0.00 173.24 177.07 3n3s n ALA 312 N 2.87 2.63 -2.58 5.45 0.00 -0.31 -4.23 120.51 124.34 3n3s n ALA 312 Ca -0.18 -0.31 -0.43 0.00 0.00 0.00 0.00 53.44 52.52 3n3s n ALA 312 Cb 0.53 -1.33 -0.03 0.00 0.00 0.00 0.00 19.45 18.61 3n3s n ALA 312 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3n3s s TYR 313 N -1.99 2.86 0.00 0.00 5.04 -1.26 -4.86 117.35 117.14 3n3s s TYR 313 Ca 0.41 0.51 0.00 0.00 -2.44 0.00 0.00 57.07 55.56 3n3s s TYR 313 Cb 0.21 -4.19 0.00 0.00 0.35 0.00 0.00 41.96 38.32 3n3s s TYR 313 CO 0.34 -1.19 0.00 0.54 -1.34 0.00 0.00 175.55 173.89 3n3s n ARG 314 N 7.50 0.00 0.01 4.97 1.74 -1.26 -0.34 116.66 129.28 3n3s n ARG 314 Ca 0.09 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 57.27 3n3s n ARG 314 Cb 0.49 0.00 0.46 0.00 -1.02 0.00 0.00 32.46 32.39 3n3s n ARG 314 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3n3s n THR 315 N 0.00 0.53 -1.00 0.55 -2.24 -1.26 -4.92 114.28 105.94 3n3s n THR 315 Ca 0.00 0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 3n3s n THR 315 Cb 0.00 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 67.46 3n3s n THR 315 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3n3s n GLY 316 N 0.73 0.44 3.73 3.38 0.00 0.53 -4.97 105.19 109.03 3n3s n GLY 316 Ca 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.02 3n3s n GLY 316 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3n3s s LYS 317 N -0.25 1.24 7.84 1.61 -2.85 -1.26 -4.46 119.74 121.61 3n3s s LYS 317 Ca 0.00 -0.66 0.00 0.00 -1.00 0.00 0.00 55.97 54.31 3n3s s LYS 317 Cb 0.00 0.44 0.00 0.00 -2.06 0.00 0.00 37.83 36.21 3n3s s LYS 317 CO 0.00 -0.56 0.00 0.41 0.10 0.00 0.00 175.35 175.30 3n3s n GLY 318 N -0.44 3.87 0.33 0.59 0.00 -1.26 -0.27 105.19 108.01 3n3s n GLY 318 Ca -0.06 -0.01 0.18 0.00 0.00 0.00 0.00 46.02 46.13 3n3s n GLY 318 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n3s h ALA 319 N -0.98 1.52 -0.48 4.61 0.00 -1.95 -1.68 119.26 120.29 3n3s h ALA 319 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3n3s h ALA 319 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3n3s h ALA 319 CO 0.00 -0.19 0.00 -0.25 0.00 0.00 0.00 179.25 178.81 3n3s n ASP 320 N -3.52 3.60 -4.76 0.00 8.00 0.62 -4.85 116.55 115.64 3n3s n ASP 320 Ca -0.01 -1.99 -0.39 0.00 0.71 0.00 0.00 54.79 53.11 3n3s n ASP 320 Cb 0.24 -0.31 0.03 0.00 -0.02 0.00 0.00 41.12 41.05 3n3s n ASP 320 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3n3s s ALA 321 N -1.34 3.12 -0.11 2.24 0.00 -0.63 -4.25 121.76 120.78 3n3s s ALA 321 Ca 0.41 1.45 -0.00 0.00 0.00 0.00 0.00 51.96 53.82 3n3s s ALA 321 Cb 0.23 -3.59 0.02 0.00 0.00 0.00 0.00 23.12 19.78 3n3s s ALA 321 CO 0.32 -1.29 -0.08 0.42 0.00 0.00 0.00 175.76 175.14 3n3s s ILE 322 N -1.22 1.01 0.00 0.00 1.01 -1.26 -2.12 121.20 118.62 3n3s s ILE 322 Ca 0.64 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 61.01 3n3s s ILE 322 Cb -0.43 -1.03 0.00 0.00 0.01 0.00 0.00 42.46 41.01 3n3s s ILE 322 CO 0.55 0.36 0.00 0.41 0.00 0.00 0.00 174.94 176.26 3n3s n THR 323 N 4.91 0.00 0.40 2.92 -1.04 0.02 -4.88 114.28 116.61 3n3s n THR 323 Ca -0.13 0.00 0.11 0.00 -2.04 0.00 0.00 64.05 62.00 3n3s n THR 323 Cb 0.50 -0.64 -0.01 0.00 -1.82 0.00 0.00 70.33 68.36 3n3s n THR 323 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3n3s n SER 324 N -2.05 0.57 0.00 8.00 3.41 -1.02 -4.92 113.62 117.61 3n3s n SER 324 Ca 0.00 -0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 3n3s n SER 324 Cb 0.00 0.91 0.00 0.00 -0.26 0.00 0.00 64.21 64.86 3n3s n SER 324 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3n3s n GLY 325 N 1.32 1.05 3.94 5.00 0.00 -0.70 -5.01 105.19 110.79 3n3s n GLY 325 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 3n3s n GLY 325 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n3s s LEU 326 N 0.00 4.12 -0.48 0.99 1.43 -1.25 -4.08 118.68 119.41 3n3s s LEU 326 Ca 0.00 0.39 0.04 0.00 -1.03 0.00 0.00 54.13 53.53 3n3s s LEU 326 Cb 0.00 -3.22 0.16 0.00 0.03 0.00 0.00 46.19 43.17 3n3s s LEU 326 CO 0.00 -0.19 0.36 -0.70 0.23 0.00 0.00 176.35 176.05 3n3s s GLU 327 N -3.97 1.28 -0.02 1.70 2.56 -1.26 -1.55 118.70 117.44 3n3s s GLU 327 Ca 0.39 -2.34 0.04 0.00 0.00 0.00 0.00 54.97 53.06 3n3s s GLU 327 Cb -0.10 -1.97 -0.01 0.00 2.00 0.00 0.00 34.13 34.05 3n3s s GLU 327 CO 0.33 -1.33 -0.14 0.08 -0.56 0.00 0.00 175.26 173.63 3n3s s VAL 328 N -0.20 1.16 -0.09 3.70 1.01 -1.26 -4.99 120.40 119.72 3n3s s VAL 328 Ca 0.28 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 61.66 3n3s s VAL 328 Cb -0.03 -0.98 0.02 0.00 0.00 0.00 0.00 36.38 35.39 3n3s s VAL 328 CO -0.16 0.33 -0.07 -0.89 0.00 0.00 0.00 175.10 174.32 3n3s s THR 329 N -0.16 0.91 0.01 3.92 2.01 -1.26 -0.70 115.64 120.37 3n3s s THR 329 Ca 0.02 -0.24 0.06 0.00 0.31 0.00 0.00 61.69 61.84 3n3s s THR 329 Cb -0.08 -0.93 -0.24 0.00 0.01 0.00 0.00 72.50 71.27 3n3s s THR 329 CO 0.00 0.34 0.88 -0.50 -0.69 0.00 0.00 174.62 174.65 3n3s h TRP 330 N 7.95 0.14 -2.95 4.92 6.55 -1.80 -3.35 115.95 127.40 3n3s h TRP 330 Ca -0.29 -0.10 -0.44 0.00 0.95 0.00 0.00 58.89 59.01 3n3s h TRP 330 Cb 1.14 -0.01 -0.14 0.00 -0.86 0.00 0.00 29.16 29.29 3n3s h TRP 330 CO 0.48 1.13 -0.68 0.95 -1.05 0.00 0.00 178.44 179.27 3n3s s THR 331 N -2.63 1.43 -0.83 1.49 -4.23 -1.26 -4.75 115.64 104.85 3n3s s THR 331 Ca -0.05 -2.11 0.23 0.00 -1.18 0.00 0.00 61.69 58.58 3n3s s THR 331 Cb 0.08 -2.29 0.21 0.00 1.34 0.00 0.00 72.50 71.85 3n3s s THR 331 CO 0.83 -0.40 1.71 0.35 -0.54 0.00 0.00 174.62 176.57 3n3s n THR 332 N -0.46 0.60 -3.55 3.99 -2.24 -1.26 -4.06 114.28 107.29 3n3s n THR 332 Ca -0.06 0.07 -0.28 0.00 -2.27 0.00 0.00 64.05 61.50 3n3s n THR 332 Cb 0.63 -0.81 -0.11 0.00 -2.10 0.00 0.00 70.33 67.93 3n3s n THR 332 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3n3s s THR 333 N -3.09 0.88 -1.35 4.28 -4.23 -1.26 -4.50 115.64 106.38 3n3s s THR 333 Ca 0.09 -2.61 0.18 0.00 -1.18 0.00 0.00 61.69 58.17 3n3s s THR 333 Cb 0.13 -1.61 0.29 0.00 1.34 0.00 0.00 72.50 72.64 3n3s s THR 333 CO 0.43 -1.06 1.56 -2.65 -0.54 0.00 0.00 174.62 172.36 3n3s n PRO 334 N 3.19 0.21 -0.28 3.99 -0.02 -1.26 -1.38 135.00 139.46 3n3s n PRO 334 Ca 0.19 0.13 0.08 0.00 -2.02 0.00 0.00 63.50 61.88 3n3s n PRO 334 Cb 0.40 -1.50 0.20 0.00 -0.02 0.00 0.00 33.50 32.58 3n3s n PRO 334 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3n3s n THR 335 N -1.33 2.01 -3.81 3.45 -2.24 -1.26 -1.12 114.28 109.99 3n3s n THR 335 Ca 0.08 -1.91 -0.13 0.00 -2.27 0.00 0.00 64.05 59.82 3n3s n THR 335 Cb 0.16 -0.17 -0.14 0.00 -2.10 0.00 0.00 70.33 68.09 3n3s n THR 335 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3n3s s GLN 336 N -2.64 0.10 0.24 -0.78 -0.21 -0.48 -4.59 119.66 111.29 3n3s s GLN 336 Ca 0.36 0.21 -0.30 0.00 0.02 0.00 0.00 55.36 55.64 3n3s s GLN 336 Cb 0.29 -0.04 -0.15 0.00 1.00 0.00 0.00 33.01 34.12 3n3s s GLN 336 CO 0.07 -0.07 1.12 1.87 -2.12 0.00 0.00 175.29 176.16 3n3s n TRP 337 N 3.46 1.39 -3.91 0.91 -0.00 0.11 -4.82 117.44 114.58 3n3s n TRP 337 Ca -0.18 0.66 -0.11 0.00 -0.00 0.00 0.00 57.50 57.88 3n3s n TRP 337 Cb 0.56 -2.29 0.00 0.00 -0.00 0.00 0.00 31.31 29.59 3n3s n TRP 337 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 177.69 176.15 3n3s s SER 338 N -0.24 0.35 -0.27 5.87 1.04 -1.26 -5.00 113.70 114.20 3n3s s SER 338 Ca 0.65 -1.28 0.11 0.00 0.48 0.00 0.00 55.95 55.91 3n3s s SER 338 Cb -0.75 0.79 0.50 0.00 0.10 0.00 0.00 66.02 66.66 3n3s s SER 338 CO 0.56 -1.56 1.44 1.41 0.98 0.00 0.00 173.24 176.07 3n3s n HIS 339 N -0.55 1.00 0.14 5.02 8.25 -1.26 -4.71 115.22 123.11 3n3s n HIS 339 Ca -0.05 -1.46 0.06 0.00 -0.26 0.00 0.00 57.72 56.01 3n3s n HIS 339 Cb 0.60 -0.45 0.04 0.00 1.12 0.00 0.00 29.99 31.31 3n3s n HIS 339 CO 0.00 0.00 0.00 -0.97 0.64 0.00 0.00 176.34 176.01 3n3s h ASN 340 N 1.09 0.00 0.09 0.41 -0.00 -1.96 -3.08 115.58 112.13 3n3s h ASN 340 Ca 0.17 0.00 0.02 0.00 -0.00 0.00 0.00 56.30 56.50 3n3s h ASN 340 Cb 1.59 0.00 -0.05 0.00 -0.00 0.00 0.00 38.32 39.86 3n3s h ASN 340 CO 0.34 0.30 -0.41 0.15 -0.00 0.00 0.00 177.43 177.82 3n3s h PHE 341 N 0.00 -1.14 0.00 0.67 3.57 -1.85 -0.64 116.94 117.55 3n3s h PHE 341 Ca -0.03 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.41 3n3s h PHE 341 Cb 1.26 0.49 -0.01 0.00 2.79 0.00 0.00 35.95 40.47 3n3s h PHE 341 CO 0.00 -0.50 -0.44 0.74 -2.23 0.00 0.00 178.31 175.88 3n3s h PHE 342 N -0.62 0.00 -0.80 0.41 0.05 -1.94 -0.15 116.94 113.88 3n3s h PHE 342 Ca 0.03 0.00 -0.05 0.00 3.82 0.00 0.00 57.97 61.77 3n3s h PHE 342 Cb 0.66 0.00 -0.04 0.00 2.00 0.00 0.00 35.95 38.58 3n3s h PHE 342 CO -0.37 0.44 0.32 0.93 -0.18 0.00 0.00 178.31 179.45 3n3s h GLU 343 N 0.00 1.20 0.04 1.51 5.08 -1.41 -1.97 114.58 119.03 3n3s h GLU 343 Ca -0.00 -0.22 -0.26 0.00 -1.00 0.00 0.00 59.36 57.88 3n3s h GLU 343 Cb 0.90 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.97 3n3s h GLU 343 CO 0.06 0.97 -1.07 -0.91 -1.00 0.00 0.00 179.01 177.06 3n3s h ASN 344 N 1.17 0.70 -0.65 1.42 2.35 -0.83 0.41 115.58 120.15 3n3s h ASN 344 Ca 0.27 -0.60 -0.08 0.00 -0.55 0.00 0.00 56.30 55.34 3n3s h ASN 344 Cb 0.22 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.35 3n3s h ASN 344 CO -0.02 1.41 0.08 0.25 -1.65 0.00 0.00 177.43 177.50 3n3s h LEU 345 N 0.27 1.06 0.00 1.61 5.85 -0.75 -2.82 115.31 120.53 3n3s h LEU 345 Ca -0.12 -0.27 -0.05 0.00 0.84 0.00 0.00 57.88 58.28 3n3s h LEU 345 Cb 1.73 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.47 3n3s h LEU 345 CO 0.20 1.07 -0.90 -0.26 -0.34 0.00 0.00 178.44 178.20 3n3s h PHE 346 N 1.01 0.00 -0.00 1.25 -1.00 -1.43 -3.38 116.94 113.39 3n3s h PHE 346 Ca 0.19 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.97 3n3s h PHE 346 Cb 0.47 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.03 3n3s h PHE 346 CO 0.04 0.18 -0.28 0.41 -1.61 0.00 0.00 178.31 177.05 3n3s n GLY 347 N 1.22 -1.27 3.33 -1.45 0.00 0.13 -4.85 105.19 102.31 3n3s n GLY 347 Ca -0.02 -0.26 -0.18 0.00 0.00 0.00 0.00 46.02 45.57 3n3s n GLY 347 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3n3s s TYR 348 N -2.91 1.63 0.23 1.61 1.51 -1.14 -5.04 117.35 113.24 3n3s s TYR 348 Ca 0.15 -0.61 -0.04 0.00 -1.01 0.00 0.00 57.07 55.55 3n3s s TYR 348 Cb 0.18 -0.78 -0.05 0.00 -0.11 0.00 0.00 41.96 41.21 3n3s s TYR 348 CO 0.61 0.30 0.47 -1.21 -1.11 0.00 0.00 175.55 174.61 3n3s s GLU 349 N -3.67 3.60 -0.02 -0.62 0.41 -1.26 -4.94 118.70 112.21 3n3s s GLU 349 Ca 0.22 -0.11 0.07 0.00 -0.41 0.00 0.00 54.97 54.74 3n3s s GLU 349 Cb 0.00 -2.74 -0.02 0.00 -1.78 0.00 0.00 34.13 29.59 3n3s s GLU 349 CO 0.06 0.32 -0.24 -1.58 -0.49 0.00 0.00 175.26 173.34 3n3s s TRP 350 N -1.92 2.40 -0.03 1.61 0.52 -1.26 -0.20 118.94 120.05 3n3s s TRP 350 Ca 0.42 -0.38 0.07 0.00 0.02 0.00 0.00 56.10 56.23 3n3s s TRP 350 Cb -0.11 -1.52 -0.02 0.00 -1.15 0.00 0.00 33.47 30.67 3n3s s TRP 350 CO 0.28 0.01 -0.25 -2.00 0.02 0.00 0.00 176.95 175.02 3n3s s GLU 351 N -0.66 2.26 0.17 4.98 2.12 -0.31 -4.91 118.70 122.35 3n3s s GLU 351 Ca 0.10 -0.90 -0.30 0.00 0.36 0.00 0.00 54.97 54.23 3n3s s GLU 351 Cb -0.10 -2.11 -0.07 0.00 0.26 0.00 0.00 34.13 32.11 3n3s s GLU 351 CO -0.01 0.52 0.99 -1.17 -0.54 0.00 0.00 175.26 175.06 3n3s s LEU 352 N -0.51 4.55 0.00 2.70 2.96 -1.26 -0.69 118.68 126.42 3n3s s LEU 352 Ca 0.07 1.93 0.00 0.00 -0.22 0.00 0.00 54.13 55.91 3n3s s LEU 352 Cb -0.11 -3.60 0.00 0.00 0.50 0.00 0.00 46.19 42.98 3n3s s LEU 352 CO 0.00 -0.03 0.27 1.07 -1.32 0.00 0.00 176.35 176.34 3n3s n THR 353 N 2.23 0.00 -4.72 3.68 5.66 0.72 -4.91 114.28 116.94 3n3s n THR 353 Ca 0.01 -1.17 -0.24 0.00 -3.05 0.00 0.00 64.05 59.60 3n3s n THR 353 Cb 0.48 0.69 -0.15 0.00 -1.55 0.00 0.00 70.33 69.79 3n3s n THR 353 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 3n3s s LYS 354 N -2.56 1.34 0.98 1.09 1.02 -1.26 -1.83 119.74 118.53 3n3s s LYS 354 Ca 0.19 -0.72 -0.16 0.00 0.02 0.00 0.00 55.97 55.30 3n3s s LYS 354 Cb -0.00 -1.34 0.20 0.00 -0.52 0.00 0.00 37.83 36.17 3n3s s LYS 354 CO 0.14 0.36 1.25 -1.54 -0.92 0.00 0.00 175.35 174.63 3n3s s SER 355 N -0.70 2.91 0.28 2.83 1.04 -0.17 -4.87 113.70 115.03 3n3s s SER 355 Ca 0.06 0.47 0.23 0.00 0.48 0.00 0.00 55.95 57.19 3n3s s SER 355 Cb -0.07 -0.65 1.05 0.00 0.10 0.00 0.00 66.02 66.45 3n3s s SER 355 CO 0.00 -2.88 1.70 -2.65 0.98 0.00 0.00 173.24 170.39 3n3s n PRO 356 N -3.90 0.18 -0.07 4.02 -0.02 -1.25 -0.54 135.00 133.41 3n3s n PRO 356 Ca 0.13 0.50 0.12 0.00 -2.02 0.00 0.00 63.50 62.23 3n3s n PRO 356 Cb 0.60 -1.91 0.35 0.00 -0.02 0.00 0.00 33.50 32.52 3n3s n PRO 356 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3n3s n ALA 357 N -1.78 2.51 -0.16 3.55 0.00 -1.24 -4.04 120.51 119.35 3n3s n ALA 357 Ca 0.01 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 52.84 3n3s n ALA 357 Cb 0.16 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.57 3n3s n ALA 357 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n3s n GLY 358 N 1.23 0.73 3.87 0.00 0.00 0.30 -4.59 105.19 106.73 3n3s n GLY 358 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3n3s n GLY 358 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n3s s ALA 359 N -2.18 3.67 0.16 4.61 0.00 -1.26 -4.73 121.76 122.03 3n3s s ALA 359 Ca 0.00 -0.35 -0.30 0.00 0.00 0.00 0.00 51.96 51.31 3n3s s ALA 359 Cb 0.00 -2.33 -0.08 0.00 0.00 0.00 0.00 23.12 20.72 3n3s s ALA 359 CO 0.00 0.56 1.23 -1.01 0.00 0.00 0.00 175.76 176.54 3n3s s HIS 360 N -1.61 3.39 0.24 0.00 3.76 -1.26 -1.00 115.29 118.81 3n3s s HIS 360 Ca 0.40 1.33 -0.07 0.00 -0.15 0.00 0.00 55.06 56.58 3n3s s HIS 360 Cb -0.13 -3.47 0.03 0.00 1.11 0.00 0.00 32.58 30.11 3n3s s HIS 360 CO 0.21 -1.41 0.43 0.00 -0.85 0.00 0.00 174.74 173.11 3n3s n GLN 361 N 2.90 0.62 -4.29 1.40 10.64 -0.76 -4.69 117.38 123.21 3n3s n GLN 361 Ca 0.06 -1.52 -0.18 0.00 -1.83 0.00 0.00 57.00 53.53 3n3s n GLN 361 Cb 0.44 1.73 -0.13 0.00 -0.86 0.00 0.00 30.24 31.42 3n3s n GLN 361 CO 0.00 0.00 0.00 -1.58 -1.83 0.00 0.00 177.06 173.65 3n3s s TRP 362 N -4.39 1.03 0.07 2.61 0.52 -0.41 -0.20 118.94 118.17 3n3s s TRP 362 Ca 0.13 -0.34 0.07 0.00 0.02 0.00 0.00 56.10 55.97 3n3s s TRP 362 Cb -0.02 -0.62 -0.03 0.00 -1.15 0.00 0.00 33.47 31.65 3n3s s TRP 362 CO 0.09 0.01 -0.18 0.54 0.02 0.00 0.00 176.95 177.43 3n3s s VAL 363 N -0.83 1.45 -0.12 4.03 0.11 0.14 -1.12 120.40 124.05 3n3s s VAL 363 Ca -0.00 -1.31 -0.29 0.00 -2.93 0.00 0.00 61.98 57.45 3n3s s VAL 363 Cb -0.07 -1.31 -0.02 0.00 -1.53 0.00 0.00 36.38 33.44 3n3s s VAL 363 CO 0.01 -0.03 1.24 0.00 -3.33 0.00 0.00 175.10 172.99 3n3s s ALA 364 N -1.05 3.60 0.23 1.54 0.00 -0.55 -1.16 121.76 124.37 3n3s s ALA 364 Ca 0.04 0.52 -0.30 0.00 0.00 0.00 0.00 51.96 52.21 3n3s s ALA 364 Cb -0.09 -3.58 -0.10 0.00 0.00 0.00 0.00 23.12 19.35 3n3s s ALA 364 CO 0.03 -1.01 1.44 0.15 0.00 0.00 0.00 175.76 176.37 3n3s s LYS 365 N 2.99 4.27 -1.12 0.00 1.02 0.72 -2.96 119.74 124.66 3n3s s LYS 365 Ca 0.55 2.29 0.00 0.00 0.02 0.00 0.00 55.97 58.83 3n3s s LYS 365 Cb -0.23 -3.12 0.00 0.00 -0.52 0.00 0.00 37.83 33.96 3n3s s LYS 365 CO 0.17 -0.43 0.00 0.41 -0.92 0.00 0.00 175.35 174.58 3n3s n GLY 366 N 2.43 1.00 3.80 -3.33 0.00 -1.26 -4.68 105.19 103.15 3n3s n GLY 366 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 3n3s n GLY 366 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n3s s ALA 367 N -1.82 2.68 0.76 4.61 0.00 -1.15 -5.05 121.76 121.78 3n3s s ALA 367 Ca 0.00 0.37 -0.12 0.00 0.00 0.00 0.00 51.96 52.21 3n3s s ALA 367 Cb 0.00 -3.24 0.05 0.00 0.00 0.00 0.00 23.12 19.93 3n3s s ALA 367 CO 0.00 -0.96 1.13 -0.51 0.00 0.00 0.00 175.76 175.42 3n3s s ASP 368 N -2.90 4.93 -0.98 0.00 1.01 -1.26 -4.92 116.67 112.55 3n3s s ASP 368 Ca 0.63 1.00 -0.23 0.00 0.71 0.00 0.00 52.55 54.66 3n3s s ASP 368 Cb -0.16 -1.67 0.05 0.00 1.01 0.00 0.00 42.92 42.15 3n3s s ASP 368 CO 0.40 -1.66 1.42 0.00 0.21 0.00 0.00 175.17 175.55 3n3s s ALA 369 N -3.43 2.73 -0.73 5.23 0.00 -1.26 -4.40 121.76 119.91 3n3s s ALA 369 Ca 0.60 -2.16 0.09 0.00 0.00 0.00 0.00 51.96 50.49 3n3s s ALA 369 Cb -0.11 -4.48 -0.03 0.00 0.00 0.00 0.00 23.12 18.50 3n3s s ALA 369 CO 0.51 -3.56 0.54 1.33 0.00 0.00 0.00 175.76 174.58 3n3s n VAL 370 N 6.79 0.00 -3.54 0.00 0.24 -0.64 -4.45 118.33 116.72 3n3s n VAL 370 Ca 0.29 -0.38 -0.37 0.00 -2.04 0.00 0.00 64.34 61.84 3n3s n VAL 370 Cb 0.51 1.08 -0.07 0.00 -1.47 0.00 0.00 33.84 33.89 3n3s n VAL 370 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3n3s s ILE 371 N -1.41 5.29 0.64 1.34 -1.09 0.64 -4.74 121.20 121.87 3n3s s ILE 371 Ca 0.06 0.57 -0.16 0.00 -2.23 0.00 0.00 60.65 58.89 3n3s s ILE 371 Cb 0.07 -3.63 -0.01 0.00 -1.58 0.00 0.00 42.46 37.31 3n3s s ILE 371 CO 0.26 0.41 1.13 -2.16 -1.23 0.00 0.00 174.94 173.34 3n3s s PRO 372 N 0.33 2.84 0.43 2.79 0.04 -1.26 -0.07 135.00 140.10 3n3s s PRO 372 Ca 0.17 1.48 -0.19 0.00 0.04 0.00 0.00 61.00 62.50 3n3s s PRO 372 Cb -0.13 -1.95 -0.10 0.00 0.04 0.00 0.00 34.50 32.36 3n3s s PRO 372 CO 0.05 -1.23 0.93 0.34 0.04 0.00 0.00 177.00 177.12 3n3s s ASP 373 N -2.36 6.85 0.45 6.66 -1.08 -1.12 -4.80 116.67 121.27 3n3s s ASP 373 Ca 0.69 1.60 0.25 0.00 -0.52 0.00 0.00 52.55 54.58 3n3s s ASP 373 Cb -0.22 -2.51 0.72 0.00 -1.46 0.00 0.00 42.92 39.45 3n3s s ASP 373 CO 0.39 -0.39 1.74 0.00 0.52 0.00 0.00 175.17 177.43 3n3s h ALA 374 N 1.74 0.96 0.00 3.66 0.00 -1.95 -3.38 119.26 120.29 3n3s h ALA 374 Ca -0.48 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3n3s h ALA 374 Cb 1.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3n3s h ALA 374 CO 0.62 0.13 -0.39 1.19 0.00 0.00 0.00 179.25 180.79 3n3s n PHE 375 N -3.16 0.00 -3.86 0.00 3.01 -1.26 -0.96 117.46 111.22 3n3s n PHE 375 Ca 0.02 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.13 3n3s n PHE 375 Cb 0.47 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.81 3n3s n PHE 375 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3n3s s ASP 376 N -1.36 5.03 0.61 4.37 -1.08 -1.26 -4.96 116.67 118.02 3n3s s ASP 376 Ca 0.00 -1.50 0.29 0.00 -0.52 0.00 0.00 52.55 50.82 3n3s s ASP 376 Cb 0.00 -1.76 1.53 0.00 -1.46 0.00 0.00 42.92 41.24 3n3s s ASP 376 CO 0.00 -0.35 1.92 -0.65 0.52 0.00 0.00 175.17 176.61 3n3s h PRO 377 N 8.02 0.00 -0.01 4.34 0.11 -1.96 -2.41 132.00 140.09 3n3s h PRO 377 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 3n3s h PRO 377 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3n3s h PRO 377 CO 0.59 0.00 -0.02 -1.13 -0.21 0.00 0.00 178.00 177.22 3n3s n SER 378 N -3.45 1.31 -4.55 -2.05 3.41 -1.26 -4.85 113.62 102.17 3n3s n SER 378 Ca 0.04 -1.39 -0.34 0.00 -0.26 0.00 0.00 58.87 56.92 3n3s n SER 378 Cb 0.54 0.01 -0.12 0.00 -0.26 0.00 0.00 64.21 64.38 3n3s n SER 378 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3n3s s LYS 379 N -2.05 2.82 0.20 4.33 1.02 -0.91 -5.13 119.74 120.03 3n3s s LYS 379 Ca 0.38 -0.57 0.04 0.00 0.02 0.00 0.00 55.97 55.83 3n3s s LYS 379 Cb 0.21 -2.59 -0.05 0.00 -0.52 0.00 0.00 37.83 34.88 3n3s s LYS 379 CO 0.35 0.61 -0.03 0.15 -0.92 0.00 0.00 175.35 175.51 3n3s s LYS 380 N -0.66 1.23 0.08 1.68 1.02 -1.26 -2.81 119.74 119.02 3n3s s LYS 380 Ca 0.10 -1.59 0.02 0.00 0.02 0.00 0.00 55.97 54.51 3n3s s LYS 380 Cb -0.11 -0.57 -0.04 0.00 -0.52 0.00 0.00 37.83 36.59 3n3s s LYS 380 CO 0.02 -0.05 -0.07 -1.01 -0.92 0.00 0.00 175.35 173.32 3n3s s HIS 381 N -3.43 0.81 0.57 3.18 3.76 0.89 -4.87 115.29 116.20 3n3s s HIS 381 Ca 0.25 -0.83 -0.17 0.00 -0.15 0.00 0.00 55.06 54.16 3n3s s HIS 381 Cb 0.05 -0.48 -0.05 0.00 1.11 0.00 0.00 32.58 33.21 3n3s s HIS 381 CO 0.06 -0.15 1.05 1.03 -0.85 0.00 0.00 174.74 175.88 3n3s s ARG 382 N -3.32 3.46 0.40 1.40 0.52 -1.26 -0.26 118.95 119.89 3n3s s ARG 382 Ca 0.06 1.22 -0.26 0.00 -0.52 0.00 0.00 55.73 56.24 3n3s s ARG 382 Cb 0.02 -2.05 -0.11 0.00 0.52 0.00 0.00 34.95 33.33 3n3s s ARG 382 CO -0.04 -0.70 1.20 -2.30 0.02 0.00 0.00 175.30 173.49 3n3s n PRO 383 N -1.77 1.80 -4.07 3.54 -0.02 -1.26 -4.80 135.00 128.41 3n3s n PRO 383 Ca 0.09 0.64 -0.08 0.00 -2.02 0.00 0.00 63.50 62.13 3n3s n PRO 383 Cb 0.53 -2.27 -0.10 0.00 -0.02 0.00 0.00 33.50 31.64 3n3s n PRO 383 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3n3s s THR 384 N -1.19 0.18 -0.00 3.45 -4.23 -1.26 -1.48 115.64 111.11 3n3s s THR 384 Ca 0.60 -1.74 -0.12 0.00 -1.18 0.00 0.00 61.69 59.25 3n3s s THR 384 Cb -0.54 -1.61 0.02 0.00 1.34 0.00 0.00 72.50 71.71 3n3s s THR 384 CO 0.58 -0.84 0.25 -0.04 -0.54 0.00 0.00 174.62 174.04 3n3s s MET 385 N -3.94 0.62 0.56 3.99 -1.94 -0.27 -4.54 119.30 113.78 3n3s s MET 385 Ca 0.10 -0.28 -0.11 0.00 -1.71 0.00 0.00 55.69 53.69 3n3s s MET 385 Cb 0.07 0.27 -0.05 0.00 2.01 0.00 0.00 34.83 37.13 3n3s s MET 385 CO -0.08 -0.17 0.96 -0.51 -0.01 0.00 0.00 175.02 175.22 3n3s s LEU 386 N -1.40 3.43 0.27 -0.03 1.43 -1.26 -1.29 118.68 119.82 3n3s s LEU 386 Ca -0.13 1.35 -0.02 0.00 -1.03 0.00 0.00 54.13 54.30 3n3s s LEU 386 Cb -0.06 -4.35 0.57 0.00 0.03 0.00 0.00 46.19 42.38 3n3s s LEU 386 CO 0.03 -0.72 1.64 0.74 0.23 0.00 0.00 176.35 178.27 3n3s h THR 387 N 0.15 0.34 0.00 5.49 2.02 -1.82 -0.42 112.91 118.67 3n3s h THR 387 Ca -0.45 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 66.67 3n3s h THR 387 Cb 1.19 0.16 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 3n3s h THR 387 CO 0.62 0.03 0.00 0.71 0.37 0.00 0.00 175.52 177.25 3n3s h THR 388 N 0.17 0.00 -0.19 3.16 1.35 -1.88 -2.03 112.91 113.49 3n3s h THR 388 Ca 0.48 -0.61 -0.13 0.00 -0.55 0.00 0.00 66.41 65.59 3n3s h THR 388 Cb 0.91 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 3n3s h THR 388 CO -0.65 0.00 -0.40 0.44 -0.25 0.00 0.00 175.52 174.66 3n3s h ASP 389 N 0.00 0.69 0.05 5.36 3.32 -1.46 -3.18 116.42 121.21 3n3s h ASP 389 Ca 0.00 -0.55 -0.00 0.00 0.02 0.00 0.00 57.03 56.49 3n3s h ASP 389 Cb 0.64 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.99 3n3s h ASP 389 CO 0.00 1.12 -0.02 -0.07 -1.72 0.00 0.00 179.24 178.55 3n3s h LEU 390 N 0.30 0.00 -1.84 1.55 3.38 -0.68 -0.20 115.31 117.82 3n3s h LEU 390 Ca 0.00 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.08 3n3s h LEU 390 Cb 1.01 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 3n3s h LEU 390 CO 0.09 0.02 0.33 0.28 0.09 0.00 0.00 178.44 179.25 3n3s h SER 391 N 0.00 0.16 1.00 -0.43 0.02 -1.36 0.57 113.55 113.50 3n3s h SER 391 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3n3s h SER 391 Cb 0.05 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.56 3n3s h SER 391 CO 0.00 0.09 0.00 -0.07 -1.14 0.00 0.00 176.83 175.72 3n3s h LEU 392 N 0.17 0.00 0.00 5.07 3.38 -1.15 -2.46 115.31 120.33 3n3s h LEU 392 Ca 0.23 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.87 3n3s h LEU 392 Cb 0.66 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.35 3n3s h LEU 392 CO -0.03 0.00 -2.22 -1.14 0.09 0.00 0.00 178.44 175.14 3n3s n ARG 393 N -2.30 0.84 0.05 1.13 0.63 0.02 -3.01 116.66 114.01 3n3s n ARG 393 Ca 0.03 0.07 0.11 0.00 -0.92 0.00 0.00 57.85 57.14 3n3s n ARG 393 Cb 0.30 -1.44 -0.02 0.00 0.45 0.00 0.00 32.46 31.75 3n3s n ARG 393 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3n3s n PHE 394 N -2.92 0.45 -2.71 -0.14 3.01 -0.19 -4.45 117.46 110.51 3n3s n PHE 394 Ca -0.34 0.13 -0.42 0.00 1.01 0.00 0.00 57.45 57.83 3n3s n PHE 394 Cb 0.98 -0.63 -0.03 0.00 -0.01 0.00 0.00 39.48 39.79 3n3s n PHE 394 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 3n3s s ASP 395 N -4.52 7.29 0.33 4.37 -1.08 -0.93 -4.82 116.67 117.31 3n3s s ASP 395 Ca 0.00 1.58 0.05 0.00 -0.52 0.00 0.00 52.55 53.66 3n3s s ASP 395 Cb 0.13 -2.56 0.59 0.00 -1.46 0.00 0.00 42.92 39.62 3n3s s ASP 395 CO 0.82 -0.35 1.86 -0.65 0.52 0.00 0.00 175.17 177.37 3n3s h PRO 396 N 6.95 0.50 -0.23 4.34 0.11 -1.90 0.02 132.00 141.78 3n3s h PRO 396 Ca -0.36 -0.12 -0.13 0.00 0.11 0.00 0.00 66.00 65.51 3n3s h PRO 396 Cb 1.18 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 3n3s h PRO 396 CO 0.80 0.56 -0.35 0.00 -0.21 0.00 0.00 178.00 178.80 3n3s h ALA 397 N 1.49 0.36 -0.08 -0.75 0.00 -1.96 -2.90 119.26 115.42 3n3s h ALA 397 Ca 0.10 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 3n3s h ALA 397 Cb 0.37 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3n3s h ALA 397 CO 0.02 0.42 -0.25 1.88 0.00 0.00 0.00 179.25 181.32 3n3s h TYR 398 N 0.35 0.14 -0.71 0.00 0.99 -1.77 -3.03 116.97 112.94 3n3s h TYR 398 Ca 0.02 -0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.71 3n3s h TYR 398 Cb 0.94 -0.04 -0.03 0.00 1.00 0.00 0.00 36.73 38.60 3n3s h TYR 398 CO 0.08 0.38 0.35 1.49 -0.00 0.00 0.00 178.16 180.46 3n3s h GLU 399 N 0.12 1.01 -0.41 4.88 4.22 -0.80 0.97 114.58 124.57 3n3s h GLU 399 Ca 0.02 -0.13 -0.12 0.00 0.08 0.00 0.00 59.36 59.21 3n3s h GLU 399 Cb 0.51 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3n3s h GLU 399 CO 0.04 0.77 -0.22 0.87 -2.18 0.00 0.00 179.01 178.29 3n3s h LYS 400 N 1.01 0.83 -0.18 1.92 1.57 -1.40 -0.11 116.57 120.21 3n3s h LYS 400 Ca 0.25 -0.34 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 3n3s h LYS 400 Cb 0.09 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 3n3s h LYS 400 CO -0.03 0.97 -0.07 0.82 -0.57 0.00 0.00 179.45 180.56 3n3s h ILE 401 N 0.72 1.30 -0.79 1.86 2.04 -1.45 -2.07 117.51 119.12 3n3s h ILE 401 Ca 0.10 -1.10 0.11 0.00 1.00 0.00 0.00 64.86 64.96 3n3s h ILE 401 Cb 0.75 1.66 -0.08 0.00 -0.74 0.00 0.00 36.82 38.40 3n3s h ILE 401 CO 0.06 0.33 0.41 0.28 0.00 0.00 0.00 178.15 179.23 3n3s h SER 402 N 0.06 0.55 -0.37 1.72 0.02 -0.66 0.96 113.55 115.82 3n3s h SER 402 Ca 0.04 0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 60.97 3n3s h SER 402 Cb 0.54 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 3n3s h SER 402 CO 0.02 0.29 -0.09 0.03 -1.14 0.00 0.00 176.83 175.95 3n3s h ARG 403 N 0.67 0.80 -0.36 3.45 2.47 -0.99 0.13 114.38 120.55 3n3s h ARG 403 Ca 0.40 -0.26 -0.08 0.00 -1.26 0.00 0.00 59.98 58.78 3n3s h ARG 403 Cb 0.45 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.69 3n3s h ARG 403 CO -0.29 0.86 -0.09 -0.09 0.56 0.00 0.00 179.97 180.92 3n3s h ARG 404 N 0.73 0.69 -0.85 0.04 2.43 -0.58 -0.65 114.38 116.19 3n3s h ARG 404 Ca 0.13 -0.27 -0.03 0.00 -0.81 0.00 0.00 59.98 59.00 3n3s h ARG 404 Cb 0.57 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.04 3n3s h ARG 404 CO 0.03 0.85 0.40 0.74 -1.51 0.00 0.00 179.97 180.49 3n3s h PHE 405 N 0.48 1.22 -0.54 2.20 0.05 -0.59 0.13 116.94 119.90 3n3s h PHE 405 Ca 0.09 -0.06 -0.08 0.00 3.82 0.00 0.00 57.97 61.74 3n3s h PHE 405 Cb 0.60 -0.38 -0.02 0.00 2.00 0.00 0.00 35.95 38.15 3n3s h PHE 405 CO 0.05 0.88 0.02 1.25 -0.18 0.00 0.00 178.31 180.33 3n3s h HIS 406 N 1.21 0.96 0.00 -0.55 2.76 -0.41 -3.08 115.15 116.03 3n3s h HIS 406 Ca 0.29 -0.14 -0.09 0.00 -2.20 0.00 0.00 60.37 58.23 3n3s h HIS 406 Cb 0.12 -0.26 -0.01 0.00 1.55 0.00 0.00 27.41 28.81 3n3s h HIS 406 CO 0.02 0.86 -0.44 0.93 -1.30 0.00 0.00 177.93 178.00 3n3s h GLU 407 N 0.84 0.00 -2.42 5.26 5.08 -0.88 -3.39 114.58 119.06 3n3s h GLU 407 Ca 0.16 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 57.93 3n3s h GLU 407 Cb 0.47 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.33 3n3s h GLU 407 CO 0.02 0.39 -0.88 0.09 -1.00 0.00 0.00 179.01 177.64 3n3s n ASN 408 N -3.18 0.90 0.26 1.42 3.02 0.42 -4.99 115.26 113.10 3n3s n ASN 408 Ca 0.02 -2.75 0.13 0.00 -0.03 0.00 0.00 54.58 51.96 3n3s n ASN 408 Cb 0.70 -0.63 0.70 0.00 -0.61 0.00 0.00 39.78 39.94 3n3s n ASN 408 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 3n3s h PRO 409 N 5.06 0.00 -0.83 3.52 0.11 -1.76 -0.03 132.00 138.07 3n3s h PRO 409 Ca 0.19 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.32 3n3s h PRO 409 Cb 0.84 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.91 3n3s h PRO 409 CO 0.52 0.12 0.55 0.93 -0.21 0.00 0.00 178.00 179.91 3n3s h GLU 410 N 0.00 1.05 -0.34 1.05 5.08 -1.94 -0.01 114.58 119.46 3n3s h GLU 410 Ca -0.00 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.17 3n3s h GLU 410 Cb 0.42 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3n3s h GLU 410 CO 0.02 0.69 -0.30 1.96 -1.00 0.00 0.00 179.01 180.38 3n3s h GLN 411 N 1.08 0.73 -0.21 2.33 4.20 -1.36 -1.91 115.11 119.97 3n3s h GLN 411 Ca 0.32 -0.33 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 3n3s h GLN 411 Cb -0.05 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.70 3n3s h GLN 411 CO -0.08 0.94 0.04 0.35 -0.67 0.00 0.00 178.83 179.41 3n3s h PHE 412 N 0.62 0.37 -0.82 2.96 3.57 -1.06 -1.23 116.94 121.36 3n3s h PHE 412 Ca 0.07 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.51 3n3s h PHE 412 Cb 0.82 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.42 3n3s h PHE 412 CO 0.04 0.48 0.45 0.00 -2.23 0.00 0.00 178.31 177.05 3n3s h ALA 413 N 0.84 1.04 -0.07 2.41 0.00 -0.85 0.11 119.26 122.76 3n3s h ALA 413 Ca 0.06 -0.12 -0.22 0.00 0.00 0.00 0.00 54.91 54.63 3n3s h ALA 413 Cb 0.31 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 17.79 3n3s h ALA 413 CO 0.00 0.56 -0.81 0.22 0.00 0.00 0.00 179.25 179.22 3n3s h ASP 414 N 1.13 0.83 -0.80 0.00 1.82 -1.29 -1.12 116.42 117.00 3n3s h ASP 414 Ca 0.29 -0.69 0.02 0.00 -0.39 0.00 0.00 57.03 56.26 3n3s h ASP 414 Cb 0.03 -0.25 -0.04 0.00 0.68 0.00 0.00 39.33 39.75 3n3s h ASP 414 CO -0.05 1.40 0.52 0.00 -1.61 0.00 0.00 179.24 179.51 3n3s h ALA 415 N 0.45 1.04 -0.40 -0.78 0.00 -0.92 -1.60 119.26 117.06 3n3s h ALA 415 Ca -0.08 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.69 3n3s h ALA 415 Cb 1.46 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3n3s h ALA 415 CO 0.16 0.38 -0.10 0.35 0.00 0.00 0.00 179.25 180.04 3n3s h PHE 416 N 1.05 0.87 -0.71 0.00 -0.00 -0.64 -0.20 116.94 117.30 3n3s h PHE 416 Ca 0.31 -0.19 -0.03 0.00 -0.00 0.00 0.00 57.97 58.06 3n3s h PHE 416 Cb -0.06 -0.21 -0.03 0.00 -0.00 0.00 0.00 35.95 35.65 3n3s h PHE 416 CO -0.02 0.91 0.32 0.00 -0.00 0.00 0.00 178.31 179.52 3n3s h ALA 417 N 0.84 1.23 -0.11 2.41 0.00 -0.92 0.20 119.26 122.92 3n3s h ALA 417 Ca 0.10 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.70 3n3s h ALA 417 Cb 0.63 -0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.14 3n3s h ALA 417 CO 0.04 0.58 -0.55 0.00 0.00 0.00 0.00 179.25 179.32 3n3s h ARG 418 N 1.01 0.56 -0.39 0.00 3.08 -1.15 -1.94 114.38 115.55 3n3s h ARG 418 Ca 0.24 -0.46 -0.02 0.00 0.07 0.00 0.00 59.98 59.81 3n3s h ARG 418 Cb 0.13 0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 3n3s h ARG 418 CO -0.03 1.09 0.15 0.00 -1.07 0.00 0.00 179.97 180.11 3n3s h ALA 419 N 0.48 1.53 -0.26 0.04 0.00 -0.78 -1.24 119.26 119.03 3n3s h ALA 419 Ca -0.04 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3n3s h ALA 419 Cb 1.20 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3n3s h ALA 419 CO 0.11 0.37 -0.01 2.35 0.00 0.00 0.00 179.25 182.08 3n3s h TRP 420 N 0.55 0.51 -0.39 0.00 2.91 -0.49 0.32 115.95 119.36 3n3s h TRP 420 Ca 0.14 -0.09 0.02 0.00 1.13 0.00 0.00 58.89 60.08 3n3s h TRP 420 Cb 0.13 -0.13 -0.03 0.00 -0.51 0.00 0.00 29.16 28.62 3n3s h TRP 420 CO 0.01 0.63 0.23 0.35 -1.03 0.00 0.00 178.44 178.62 3n3s h PHE 421 N 0.25 0.42 0.12 2.65 3.57 -1.14 -1.77 116.94 121.04 3n3s h PHE 421 Ca 0.07 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 3n3s h PHE 421 Cb 0.43 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.04 3n3s h PHE 421 CO 0.04 0.24 -0.06 -0.22 -2.23 0.00 0.00 178.31 176.08 3n3s h LYS 422 N 0.46 -0.16 -0.71 1.11 3.64 -1.05 -1.44 116.57 118.42 3n3s h LYS 422 Ca 0.16 0.01 0.16 0.00 -1.27 0.00 0.00 60.65 59.70 3n3s h LYS 422 Cb 0.01 0.04 -0.12 0.00 -0.41 0.00 0.00 32.23 31.75 3n3s h LYS 422 CO -0.08 -0.01 0.06 1.25 -2.27 0.00 0.00 179.45 178.40 3n3s h LEU 423 N -0.27 -0.21 -0.91 5.20 5.85 -0.27 0.74 115.31 125.43 3n3s h LEU 423 Ca -0.02 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3n3s h LEU 423 Cb 0.22 0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.53 3n3s h LEU 423 CO 0.03 -0.12 -0.04 0.35 -0.34 0.00 0.00 178.44 178.32 3n3s n THR 424 N -5.27 0.00 -0.19 1.05 -2.24 -0.67 -3.76 114.28 103.20 3n3s n THR 424 Ca 0.13 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 3n3s n THR 424 Cb 0.44 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 69.18 3n3s n THR 424 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3n3s n HIS 425 N 0.08 0.00 0.12 4.78 8.25 -0.57 -4.84 115.22 123.04 3n3s n HIS 425 Ca 0.18 -0.11 0.06 0.00 -0.26 0.00 0.00 57.72 57.60 3n3s n HIS 425 Cb 0.36 -0.01 0.53 0.00 1.12 0.00 0.00 29.99 31.99 3n3s n HIS 425 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 3n3s h ARG 426 N 0.00 0.28 -0.56 -0.41 9.65 -0.95 -1.51 114.38 120.87 3n3s h ARG 426 Ca 0.00 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.86 3n3s h ARG 426 Cb 0.22 -0.06 0.00 0.00 -1.39 0.00 0.00 29.97 28.74 3n3s h ARG 426 CO 0.00 0.18 0.00 -0.40 2.80 0.00 0.00 179.97 182.55 3n3s n ASP 427 N -4.50 4.62 0.09 -3.80 5.75 -1.26 -4.49 116.55 112.95 3n3s n ASP 427 Ca 0.01 -2.55 0.13 0.00 -0.01 0.00 0.00 54.79 52.36 3n3s n ASP 427 Cb 0.10 -0.56 0.38 0.00 -1.03 0.00 0.00 41.12 40.01 3n3s n ASP 427 CO 0.00 0.00 0.00 0.23 -0.11 0.00 0.00 177.20 177.32 3n3s n MET 428 N 0.77 0.24 0.00 0.11 2.81 -0.57 -4.46 117.12 116.03 3n3s n MET 428 Ca 0.24 0.17 0.00 0.00 -1.81 0.00 0.00 57.70 56.30 3n3s n MET 428 Cb 0.89 -1.76 0.00 0.00 -0.71 0.00 0.00 33.22 31.65 3n3s n MET 428 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3n3s n GLY 429 N 1.33 -0.74 3.73 3.03 0.00 -1.21 -4.78 105.19 106.56 3n3s n GLY 429 Ca 0.05 -1.28 -0.35 0.00 0.00 0.00 0.00 46.02 44.45 3n3s n GLY 429 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3n3s s PRO 430 N 0.00 2.38 0.61 1.61 0.02 -1.26 -4.86 135.00 133.49 3n3s s PRO 430 Ca 0.00 1.76 0.31 0.00 0.02 0.00 0.00 61.00 63.09 3n3s s PRO 430 Cb 0.00 -1.86 1.73 0.00 0.02 0.00 0.00 34.50 34.39 3n3s s PRO 430 CO 0.00 -1.65 2.09 0.00 -0.33 0.00 0.00 177.00 177.11 3n3s h ARG 431 N 0.01 0.00 -0.02 5.54 3.08 -1.91 0.89 114.38 121.97 3n3s h ARG 431 Ca -0.48 0.00 0.01 0.00 0.07 0.00 0.00 59.98 59.57 3n3s h ARG 431 Cb 1.29 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.34 3n3s h ARG 431 CO 0.51 0.00 0.12 0.00 -1.07 0.00 0.00 179.97 179.53 3n3s h ALA 432 N 1.72 1.23 0.00 0.04 0.00 -1.93 -0.48 119.26 119.83 3n3s h ALA 432 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3n3s h ALA 432 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 3n3s h ALA 432 CO -0.00 -0.13 -0.12 0.00 0.00 0.00 0.00 179.25 179.00 3n3s h ARG 433 N 0.00 0.00 -6.37 0.00 3.08 -1.12 -3.46 114.38 106.51 3n3s h ARG 433 Ca 0.01 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.52 3n3s h ARG 433 Cb 0.25 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 3n3s h ARG 433 CO -0.00 0.00 0.87 0.71 -1.07 0.00 0.00 179.97 180.48 3n3s s TYR 434 N -3.19 2.75 0.13 3.04 1.51 -0.19 -4.67 117.35 116.74 3n3s s TYR 434 Ca 0.07 0.73 0.10 0.00 -1.01 0.00 0.00 57.07 56.96 3n3s s TYR 434 Cb 0.08 -3.71 -0.04 0.00 -0.11 0.00 0.00 41.96 38.18 3n3s s TYR 434 CO 0.66 -2.66 -0.21 -0.51 -1.11 0.00 0.00 175.55 171.72 3n3s s LEU 435 N 2.56 2.58 0.00 -1.29 1.43 -0.43 -4.92 118.68 118.61 3n3s s LEU 435 Ca 0.65 -0.65 0.00 0.00 -1.03 0.00 0.00 54.13 53.10 3n3s s LEU 435 Cb -0.32 -1.42 0.00 0.00 0.03 0.00 0.00 46.19 44.48 3n3s s LEU 435 CO 0.27 0.17 0.00 0.61 0.23 0.00 0.00 176.35 177.63 3n3s n GLY 436 N 0.72 0.71 0.07 -3.19 0.00 -1.26 -0.91 105.19 101.33 3n3s n GLY 436 Ca -0.16 -2.11 0.15 0.00 0.00 0.00 0.00 46.02 43.90 3n3s n GLY 436 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3n3s n PRO 437 N 0.30 0.69 -0.29 1.61 -0.04 -1.26 -3.87 135.00 132.14 3n3s n PRO 437 Ca 0.00 -0.14 0.08 0.00 -0.04 0.00 0.00 63.50 63.40 3n3s n PRO 437 Cb 0.00 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.16 3n3s n PRO 437 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3n3s n GLU 438 N -1.03 2.62 -2.10 0.54 1.02 -1.26 -5.01 120.64 115.43 3n3s n GLU 438 Ca 0.16 -2.53 -0.42 0.00 -0.02 0.00 0.00 57.16 54.35 3n3s n GLU 438 Cb 0.24 -1.60 -0.03 0.00 -0.02 0.00 0.00 31.44 30.03 3n3s n GLU 438 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3n3s s VAL 439 N -2.33 3.30 0.22 2.62 1.01 -1.10 -1.20 120.40 122.92 3n3s s VAL 439 Ca 0.33 0.82 -0.31 0.00 0.00 0.00 0.00 61.98 62.82 3n3s s VAL 439 Cb 0.26 -3.53 -0.11 0.00 0.00 0.00 0.00 36.38 33.01 3n3s s VAL 439 CO 0.09 0.03 1.56 -2.84 0.00 0.00 0.00 175.10 173.93 3n3s s PRO 440 N 1.92 4.19 0.48 2.72 0.02 -1.26 -4.89 135.00 138.17 3n3s s PRO 440 Ca 0.67 2.43 0.26 0.00 0.02 0.00 0.00 61.00 64.38 3n3s s PRO 440 Cb -0.37 -3.10 1.14 0.00 0.02 0.00 0.00 34.50 32.20 3n3s s PRO 440 CO 0.30 -0.58 1.92 0.00 -0.33 0.00 0.00 177.00 178.31 3n3s h ALA 441 N 5.89 1.11 -2.60 -1.55 0.00 -1.93 -3.44 119.26 116.74 3n3s h ALA 441 Ca -0.45 -0.16 -0.53 0.00 0.00 0.00 0.00 54.91 53.77 3n3s h ALA 441 Cb 1.21 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 19.00 3n3s h ALA 441 CO 0.86 0.23 0.70 -2.00 0.00 0.00 0.00 179.25 179.03 3n3s s GLU 442 N -3.84 4.34 -0.08 0.00 2.12 -1.26 -4.98 118.70 115.00 3n3s s GLU 442 Ca -0.01 2.07 -0.24 0.00 0.36 0.00 0.00 54.97 57.16 3n3s s GLU 442 Cb 0.11 -3.23 -0.03 0.00 0.26 0.00 0.00 34.13 31.24 3n3s s GLU 442 CO 0.61 -0.37 0.72 0.08 -0.54 0.00 0.00 175.26 175.76 3n3s s VAL 443 N 0.73 5.03 0.04 3.70 1.01 -1.26 -5.05 120.40 124.59 3n3s s VAL 443 Ca 0.62 1.46 0.05 0.00 0.00 0.00 0.00 61.98 64.11 3n3s s VAL 443 Cb -0.37 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 31.93 3n3s s VAL 443 CO 0.33 0.22 -0.11 -0.76 0.00 0.00 0.00 175.10 174.78 3n3s s LEU 444 N 1.01 2.95 0.28 3.92 1.43 -1.26 -5.01 118.68 122.00 3n3s s LEU 444 Ca 0.37 -0.29 -0.03 0.00 -1.03 0.00 0.00 54.13 53.15 3n3s s LEU 444 Cb -0.18 -1.72 0.39 0.00 0.03 0.00 0.00 46.19 44.72 3n3s s LEU 444 CO 0.17 0.25 1.95 0.25 0.23 0.00 0.00 176.35 179.21 3n3s h LEU 445 N 4.35 1.00 -2.07 1.79 5.85 -1.96 -1.63 115.31 122.64 3n3s h LEU 445 Ca -0.48 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.21 3n3s h LEU 445 Cb 1.16 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.94 3n3s h LEU 445 CO 0.51 0.73 0.00 4.11 -0.34 0.00 0.00 178.44 183.46 3n3s h TRP 446 N 1.18 0.00 0.00 1.25 5.08 -1.95 -1.23 115.95 120.27 3n3s h TRP 446 Ca 0.32 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.29 3n3s h TRP 446 Cb -0.12 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.04 3n3s h TRP 446 CO 0.00 0.00 0.00 1.04 -1.28 0.00 0.00 178.44 178.20 3n3s n GLN 447 N -2.89 0.63 -3.62 0.12 6.02 -0.61 -4.92 117.38 112.10 3n3s n GLN 447 Ca -0.01 0.01 -0.27 0.00 -0.01 0.00 0.00 57.00 56.72 3n3s n GLN 447 Cb 0.16 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 29.96 3n3s n GLN 447 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3n3s n ASP 448 N -1.03 -4.80 -4.77 1.08 8.00 -0.47 -4.75 116.55 109.82 3n3s n ASP 448 Ca 0.15 -0.94 -0.34 0.00 0.71 0.00 0.00 54.79 54.37 3n3s n ASP 448 Cb 0.08 -3.77 0.03 0.00 -0.02 0.00 0.00 41.12 37.45 3n3s n ASP 448 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3n3s s PRO 449 N -5.73 2.95 -0.15 -0.24 0.04 -1.26 -5.02 135.00 125.59 3n3s s PRO 449 Ca 0.39 1.52 0.00 0.00 0.04 0.00 0.00 61.00 62.96 3n3s s PRO 449 Cb -0.12 -1.96 -0.00 0.00 0.04 0.00 0.00 34.50 32.46 3n3s s PRO 449 CO 0.84 -1.16 -0.15 0.42 0.04 0.00 0.00 177.00 176.99 3n3s s ILE 450 N -2.07 2.68 0.70 0.56 -1.09 -1.26 -4.80 121.20 115.93 3n3s s ILE 450 Ca 0.70 -0.77 -0.16 0.00 -2.23 0.00 0.00 60.65 58.19 3n3s s ILE 450 Cb -0.23 -2.13 0.02 0.00 -1.58 0.00 0.00 42.46 38.54 3n3s s ILE 450 CO 0.36 0.52 1.26 -2.84 -1.23 0.00 0.00 174.94 173.01 3n3s s PRO 451 N 0.76 2.23 0.61 2.79 0.02 -1.26 -4.97 135.00 135.18 3n3s s PRO 451 Ca -0.06 1.96 -0.17 0.00 0.02 0.00 0.00 61.00 62.75 3n3s s PRO 451 Cb -0.15 -1.82 -0.03 0.00 0.02 0.00 0.00 34.50 32.52 3n3s s PRO 451 CO 0.01 -1.81 1.12 0.00 -0.33 0.00 0.00 177.00 175.98 3n3s s ALA 452 N -1.65 2.57 -0.15 -1.55 0.00 -1.26 -4.77 121.76 114.96 3n3s s ALA 452 Ca 0.79 0.66 -0.17 0.00 0.00 0.00 0.00 51.96 53.24 3n3s s ALA 452 Cb -0.35 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.40 3n3s s ALA 452 CO 0.43 -1.05 0.43 0.08 0.00 0.00 0.00 175.76 175.65 3n3s s VAL 453 N -2.11 5.21 -0.15 0.00 1.01 -1.26 -4.96 120.40 118.14 3n3s s VAL 453 Ca 0.69 0.83 0.17 0.00 0.00 0.00 0.00 61.98 63.68 3n3s s VAL 453 Cb -0.22 -3.77 0.44 0.00 0.00 0.00 0.00 36.38 32.84 3n3s s VAL 453 CO 0.35 0.32 1.18 -0.90 0.00 0.00 0.00 175.10 176.05 3n3s n ASP 454 N 3.85 1.84 -4.02 3.32 5.75 -1.26 -5.04 116.55 121.00 3n3s n ASP 454 Ca -0.08 -2.95 -0.08 0.00 -0.01 0.00 0.00 54.79 51.67 3n3s n ASP 454 Cb 0.51 -0.41 -0.09 0.00 -1.03 0.00 0.00 41.12 40.10 3n3s n ASP 454 CO 0.00 0.00 0.00 -1.38 -0.11 0.00 0.00 177.20 175.71 3n3s s HIS 455 N -2.16 0.42 0.45 2.11 -3.43 -1.26 -5.11 115.29 106.30 3n3s s HIS 455 Ca 0.37 -0.92 -0.24 0.00 -0.80 0.00 0.00 55.06 53.47 3n3s s HIS 455 Cb 0.38 -0.28 -0.09 0.00 -1.43 0.00 0.00 32.58 31.15 3n3s s HIS 455 CO -0.09 -0.45 1.16 -2.30 -2.00 0.00 0.00 174.74 171.06 3n3s n PRO 456 N 0.04 1.61 -3.01 -0.38 -0.02 -1.26 -4.94 135.00 127.03 3n3s n PRO 456 Ca -0.14 0.58 -0.25 0.00 -2.02 0.00 0.00 63.50 61.67 3n3s n PRO 456 Cb 0.62 -2.26 -0.00 0.00 -0.02 0.00 0.00 33.50 31.84 3n3s n PRO 456 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3n3s s LEU 457 N -1.44 3.77 0.51 2.45 1.43 -1.26 -3.46 118.68 120.68 3n3s s LEU 457 Ca 0.64 0.58 -0.23 0.00 -1.03 0.00 0.00 54.13 54.09 3n3s s LEU 457 Cb -0.51 -3.47 -0.06 0.00 0.03 0.00 0.00 46.19 42.18 3n3s s LEU 457 CO 0.56 -0.51 1.32 0.27 0.23 0.00 0.00 176.35 178.22 3n3s s ILE 458 N -2.54 2.32 0.00 -0.59 -4.36 -1.26 -4.96 121.20 109.82 3n3s s ILE 458 Ca 0.45 0.25 0.00 0.00 -0.26 0.00 0.00 60.65 61.09 3n3s s ILE 458 Cb -0.10 -3.13 0.00 0.00 1.25 0.00 0.00 42.46 40.48 3n3s s ILE 458 CO 0.40 0.01 0.00 -0.90 0.24 0.00 0.00 174.94 174.68 3n3s n ASP 459 N -0.72 0.76 0.07 4.36 5.68 -1.26 -4.86 116.55 120.58 3n3s n ASP 459 Ca 0.09 -0.95 -0.01 0.00 -0.50 0.00 0.00 54.79 53.42 3n3s n ASP 459 Cb 0.45 0.00 0.27 0.00 -1.14 0.00 0.00 41.12 40.70 3n3s n ASP 459 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3n3s h ALA 460 N 0.64 1.24 -0.48 2.12 0.00 -1.99 -0.48 119.26 120.31 3n3s h ALA 460 Ca 0.00 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.50 3n3s h ALA 460 Cb 0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3n3s h ALA 460 CO 0.00 0.50 -0.05 0.00 0.00 0.00 0.00 179.25 179.70 3n3s h ALA 461 N 1.44 1.01 -0.30 0.00 0.00 -2.00 -2.19 119.26 117.22 3n3s h ALA 461 Ca 0.04 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.57 3n3s h ALA 461 Cb 0.62 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3n3s h ALA 461 CO 0.04 0.60 -0.17 -0.44 0.00 0.00 0.00 179.25 179.29 3n3s h ASP 462 N 0.76 0.67 -0.94 0.00 3.32 -1.85 -0.92 116.42 117.47 3n3s h ASP 462 Ca 0.14 -0.42 0.01 0.00 0.02 0.00 0.00 57.03 56.78 3n3s h ASP 462 Cb 0.53 -0.19 -0.05 0.00 0.22 0.00 0.00 39.33 39.85 3n3s h ASP 462 CO 0.03 0.94 0.60 0.00 -1.72 0.00 0.00 179.24 179.10 3n3s h ALA 463 N 0.75 1.30 -0.49 3.45 0.00 -1.02 0.18 119.26 123.44 3n3s h ALA 463 Ca 0.06 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 3n3s h ALA 463 Cb 0.70 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3n3s h ALA 463 CO 0.05 0.63 -0.21 0.00 0.00 0.00 0.00 179.25 179.72 3n3s h ALA 464 N 1.39 0.70 -0.53 0.00 0.00 -1.09 -0.20 119.26 119.53 3n3s h ALA 464 Ca 0.34 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3n3s h ALA 464 Cb -0.12 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3n3s h ALA 464 CO -0.07 0.68 0.20 1.49 0.00 0.00 0.00 179.25 181.54 3n3s h GLU 465 N 0.86 0.81 -0.65 0.00 4.81 -0.72 -1.29 114.58 118.40 3n3s h GLU 465 Ca 0.11 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.13 3n3s h GLU 465 Cb 0.79 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 30.02 3n3s h GLU 465 CO 0.07 0.72 0.20 -0.07 -0.73 0.00 0.00 179.01 179.19 3n3s h LEU 466 N 0.73 0.96 -1.17 1.64 3.38 -0.42 -1.56 115.31 118.86 3n3s h LEU 466 Ca 0.18 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3n3s h LEU 466 Cb 0.23 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.69 3n3s h LEU 466 CO -0.01 0.92 0.42 0.11 0.09 0.00 0.00 178.44 179.97 3n3s h LYS 467 N 0.95 0.99 -0.31 1.13 1.57 -0.88 0.01 116.57 120.02 3n3s h LYS 467 Ca 0.21 -0.09 -0.17 0.00 -1.87 0.00 0.00 60.65 58.73 3n3s h LYS 467 Cb 0.31 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 3n3s h LYS 467 CO -0.01 0.70 -0.47 0.00 -0.57 0.00 0.00 179.45 179.11 3n3s h ALA 468 N 1.46 0.58 -0.41 3.86 0.00 -0.95 -0.82 119.26 122.99 3n3s h ALA 468 Ca 0.26 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.69 3n3s h ALA 468 Cb -0.02 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3n3s h ALA 468 CO -0.05 0.68 0.27 0.87 0.00 0.00 0.00 179.25 181.02 3n3s h LYS 469 N 0.65 0.54 -0.17 0.00 1.79 -0.93 0.14 116.57 118.60 3n3s h LYS 469 Ca 0.03 -0.03 0.05 0.00 -2.18 0.00 0.00 60.65 58.52 3n3s h LYS 469 Cb 1.05 -0.12 -0.06 0.00 -1.58 0.00 0.00 32.23 31.52 3n3s h LYS 469 CO 0.10 0.37 -0.23 0.28 -1.08 0.00 0.00 179.45 178.89 3n3s h VAL 470 N 0.56 0.43 -0.09 0.50 2.07 -0.78 -1.67 116.25 117.27 3n3s h VAL 470 Ca 0.15 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.60 3n3s h VAL 470 Cb -0.06 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 3n3s h VAL 470 CO -0.03 0.00 -0.25 -0.07 0.02 0.00 0.00 177.57 177.24 3n3s h LEU 471 N -0.27 0.15 0.00 2.57 3.38 -0.91 -2.25 115.31 117.98 3n3s h LEU 471 Ca 0.11 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3n3s h LEU 471 Cb 0.44 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.15 3n3s h LEU 471 CO -0.33 0.41 0.00 0.00 0.09 0.00 0.00 178.44 178.61 3n3s n ALA 472 N -2.48 2.22 0.56 1.53 0.00 0.47 -3.29 120.51 119.52 3n3s n ALA 472 Ca -0.01 -0.10 0.13 0.00 0.00 0.00 0.00 53.44 53.46 3n3s n ALA 472 Cb 0.34 -1.43 0.43 0.00 0.00 0.00 0.00 19.45 18.79 3n3s n ALA 472 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3n3s n SER 473 N -1.47 0.80 0.00 0.00 3.41 -0.67 -4.90 113.62 110.79 3n3s n SER 473 Ca 0.07 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.29 3n3s n SER 473 Cb 0.30 -0.81 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 3n3s n SER 473 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3n3s n GLY 474 N 0.96 0.54 3.76 5.00 0.00 -1.21 -5.06 105.19 109.18 3n3s n GLY 474 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3n3s n GLY 474 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3n3s s LEU 475 N 0.00 4.34 0.56 0.99 1.43 -1.26 -4.99 118.68 119.75 3n3s s LEU 475 Ca 0.00 2.95 -0.04 0.00 -1.03 0.00 0.00 54.13 56.01 3n3s s LEU 475 Cb 0.00 -3.64 0.01 0.00 0.03 0.00 0.00 46.19 42.59 3n3s s LEU 475 CO 0.00 -0.88 0.84 0.42 0.23 0.00 0.00 176.35 176.96 3n3s s THR 476 N -0.32 3.64 0.17 5.49 -4.23 -1.26 -4.87 115.64 114.26 3n3s s THR 476 Ca 0.60 -0.17 -0.18 0.00 -1.18 0.00 0.00 61.69 60.76 3n3s s THR 476 Cb -0.47 -3.42 0.09 0.00 1.34 0.00 0.00 72.50 70.04 3n3s s THR 476 CO 0.52 -0.39 1.65 0.58 -0.54 0.00 0.00 174.62 176.44 3n3s h VAL 477 N -0.03 0.51 -0.92 2.29 2.07 -1.91 -0.97 116.25 117.30 3n3s h VAL 477 Ca -0.45 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.08 3n3s h VAL 477 Cb 1.26 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.50 3n3s h VAL 477 CO 0.59 0.00 0.61 -1.28 0.02 0.00 0.00 177.57 177.51 3n3s h SER 478 N -0.07 1.05 -0.38 0.57 0.87 -1.86 -0.36 113.55 113.36 3n3s h SER 478 Ca 0.19 -0.03 -0.15 0.00 -1.23 0.00 0.00 61.79 60.57 3n3s h SER 478 Cb 0.36 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.05 3n3s h SER 478 CO -0.43 0.75 -0.33 1.56 -0.53 0.00 0.00 176.83 177.85 3n3s h GLN 479 N 1.23 0.92 -0.13 2.24 4.20 -1.70 -0.96 115.11 120.91 3n3s h GLN 479 Ca 0.34 -0.45 -0.07 0.00 0.06 0.00 0.00 58.65 58.53 3n3s h GLN 479 Cb -0.12 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.65 3n3s h GLN 479 CO -0.08 1.10 -0.19 -0.07 -0.67 0.00 0.00 178.83 178.93 3n3s h LEU 480 N 0.76 0.38 -0.15 1.46 3.38 -0.89 -1.99 115.31 118.27 3n3s h LEU 480 Ca 0.08 -0.52 -0.04 0.00 0.09 0.00 0.00 57.88 57.48 3n3s h LEU 480 Cb 0.91 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 3n3s h LEU 480 CO 0.08 0.83 -0.08 0.58 0.09 0.00 0.00 178.44 179.94 3n3s h VAL 481 N -0.05 1.32 -0.93 1.22 2.07 -1.10 -2.39 116.25 116.38 3n3s h VAL 481 Ca 0.01 -1.14 0.03 0.00 0.82 0.00 0.00 66.70 66.42 3n3s h VAL 481 Cb 0.75 1.77 -0.05 0.00 -1.52 0.00 0.00 31.29 32.23 3n3s h VAL 481 CO 0.04 0.33 0.61 0.28 0.02 0.00 0.00 177.57 178.86 3n3s h SER 482 N -0.03 1.02 -0.22 0.57 0.02 -1.20 -0.20 113.55 113.51 3n3s h SER 482 Ca 0.03 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.85 3n3s h SER 482 Cb 0.56 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 3n3s h SER 482 CO 0.02 0.70 -0.32 0.74 -1.14 0.00 0.00 176.83 176.84 3n3s h THR 483 N 1.18 1.33 -0.27 -2.27 2.02 -1.31 -0.71 112.91 112.87 3n3s h THR 483 Ca 0.37 -1.52 -0.13 0.00 0.77 0.00 0.00 66.41 65.90 3n3s h THR 483 Cb -0.01 1.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.18 3n3s h THR 483 CO -0.11 0.47 -0.37 0.00 0.37 0.00 0.00 175.52 175.88 3n3s h ALA 484 N 0.63 0.85 -0.55 6.16 0.00 -1.29 -1.86 119.26 123.21 3n3s h ALA 484 Ca 0.02 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 3n3s h ALA 484 Cb 0.90 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 3n3s h ALA 484 CO 0.07 0.64 0.25 2.35 0.00 0.00 0.00 179.25 182.56 3n3s h TRP 485 N 0.51 0.80 -0.77 0.00 2.91 -0.98 -1.19 115.95 117.23 3n3s h TRP 485 Ca 0.05 -0.05 0.03 0.00 1.13 0.00 0.00 58.89 60.05 3n3s h TRP 485 Cb 0.87 -0.25 -0.05 0.00 -0.51 0.00 0.00 29.16 29.23 3n3s h TRP 485 CO 0.04 0.64 0.49 0.00 -1.03 0.00 0.00 178.44 178.57 3n3s h ALA 486 N 1.09 1.01 -0.27 2.65 0.00 -0.76 -0.77 119.26 122.21 3n3s h ALA 486 Ca 0.19 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3n3s h ALA 486 Cb 0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3n3s h ALA 486 CO -0.02 0.29 0.06 0.00 0.00 0.00 0.00 179.25 179.58 3n3s h ALA 487 N 1.33 0.36 0.03 0.00 0.00 -1.15 -3.36 119.26 116.46 3n3s h ALA 487 Ca 0.31 -0.18 -0.28 0.00 0.00 0.00 0.00 54.91 54.77 3n3s h ALA 487 Cb 0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3n3s h ALA 487 CO -0.11 0.04 -1.50 0.00 0.00 0.00 0.00 179.25 177.67 3n3s h ALA 488 N 0.88 0.56 -0.03 0.00 0.00 -0.96 -3.01 119.26 116.69 3n3s h ALA 488 Ca 0.08 -1.25 0.00 0.00 0.00 0.00 0.00 54.91 53.74 3n3s h ALA 488 Cb 0.31 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3n3s h ALA 488 CO 0.00 1.40 0.00 -1.13 0.00 0.00 0.00 179.25 179.53 3n3s n SER 489 N -3.22 0.45 0.06 0.00 3.41 -0.32 -2.57 113.62 111.42 3n3s n SER 489 Ca -0.13 -1.34 0.10 0.00 -0.26 0.00 0.00 58.87 57.23 3n3s n SER 489 Cb 1.02 -0.02 0.40 0.00 -0.26 0.00 0.00 64.21 65.36 3n3s n SER 489 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3n3s n THR 490 N -0.56 0.87 -2.00 6.66 -2.24 -1.26 -4.87 114.28 110.88 3n3s n THR 490 Ca 0.18 0.21 -0.40 0.00 -2.27 0.00 0.00 64.05 61.77 3n3s n THR 490 Cb 0.16 -1.03 -0.01 0.00 -2.10 0.00 0.00 70.33 67.35 3n3s n THR 490 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3n3s s PHE 491 N -3.14 2.79 -0.03 4.78 5.36 -1.06 -4.13 117.98 122.55 3n3s s PHE 491 Ca 0.06 1.36 0.01 0.00 -0.96 0.00 0.00 56.93 57.40 3n3s s PHE 491 Cb 0.10 -3.75 0.02 0.00 -0.34 0.00 0.00 43.02 39.05 3n3s s PHE 491 CO 0.34 -2.26 -0.03 -0.98 -1.46 0.00 0.00 175.22 170.83 3n3s s ARG 492 N -2.15 0.63 0.00 10.12 1.70 -0.25 -4.39 118.95 124.60 3n3s s ARG 492 Ca 0.55 -0.07 0.20 0.00 -0.47 0.00 0.00 55.73 55.95 3n3s s ARG 492 Cb -0.40 -0.68 0.87 0.00 -0.57 0.00 0.00 34.95 34.17 3n3s s ARG 492 CO 0.53 -0.07 1.65 0.41 -1.08 0.00 0.00 175.30 176.74 3n3s n GLY 493 N 3.92 -1.20 0.05 3.88 0.00 0.19 -0.93 105.19 111.10 3n3s n GLY 493 Ca -0.25 -0.07 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 3n3s n GLY 493 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3n3s h SER 494 N 0.00 -0.02 0.00 1.61 4.64 -1.84 -3.33 113.55 114.62 3n3s h SER 494 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3n3s h SER 494 Cb 0.35 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 3n3s h SER 494 CO 0.00 -0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.06 3n3s n ASP 495 N -5.10 1.45 -2.26 4.97 5.75 -1.20 -4.75 116.55 115.41 3n3s n ASP 495 Ca -0.06 -1.58 -0.20 0.00 -0.01 0.00 0.00 54.79 52.94 3n3s n ASP 495 Cb 0.05 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.11 3n3s n ASP 495 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 3n3s n LYS 496 N -0.29 -1.67 -3.01 0.11 5.02 -0.11 -3.30 118.16 114.92 3n3s n LYS 496 Ca 0.00 1.03 -0.25 0.00 -2.02 0.00 0.00 58.31 57.06 3n3s n LYS 496 Cb 0.20 -5.64 -0.01 0.00 -0.02 0.00 0.00 35.03 29.56 3n3s n LYS 496 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3n3s s ARG 497 N -4.81 3.48 0.95 1.97 0.52 -1.21 -4.26 118.95 115.59 3n3s s ARG 497 Ca 0.00 -0.09 0.00 0.00 -0.52 0.00 0.00 55.73 55.12 3n3s s ARG 497 Cb 0.00 -2.52 0.00 0.00 0.52 0.00 0.00 34.95 32.95 3n3s s ARG 497 CO 0.00 -0.04 0.00 0.41 0.02 0.00 0.00 175.30 175.69 3n3s n GLY 498 N -2.03 -1.85 0.00 -3.53 0.00 -1.26 -1.10 105.19 95.42 3n3s n GLY 498 Ca -0.02 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.42 3n3s n GLY 498 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n3s n GLY 499 N 0.00 0.65 0.14 -0.02 0.00 -1.26 -4.54 105.19 100.16 3n3s n GLY 499 Ca 0.00 -2.00 0.13 0.00 0.00 0.00 0.00 46.02 44.15 3n3s n GLY 499 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n3s h ALA 500 N 0.00 0.94 -2.89 4.61 0.00 -1.72 -3.44 119.26 116.76 3n3s h ALA 500 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 3n3s h ALA 500 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 17.79 17.87 3n3s h ALA 500 CO 0.00 0.00 0.65 1.21 0.00 0.00 0.00 179.25 181.11 3n3s s ASN 501 N -5.11 6.54 0.00 0.00 3.84 -1.26 -2.46 114.94 116.49 3n3s s ASN 501 Ca 0.08 2.73 0.00 0.00 0.21 0.00 0.00 52.86 55.89 3n3s s ASN 501 Cb 0.10 -2.65 0.00 0.00 -0.55 0.00 0.00 41.25 38.15 3n3s s ASN 501 CO 0.64 -0.70 0.00 0.61 -2.79 0.00 0.00 177.10 174.86 3n3s n GLY 502 N 0.70 2.55 4.04 1.21 0.00 -0.12 -4.53 105.19 109.05 3n3s n GLY 502 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 3n3s n GLY 502 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n3s n ALA 503 N -1.91 -1.57 1.06 4.61 0.00 -1.03 -0.43 120.51 121.24 3n3s n ALA 503 Ca 0.00 -0.07 0.12 0.00 0.00 0.00 0.00 53.44 53.49 3n3s n ALA 503 Cb 0.00 -2.88 0.59 0.00 0.00 0.00 0.00 19.45 17.16 3n3s n ALA 503 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3n3s n ARG 504 N -4.44 0.23 0.29 0.00 1.74 -1.26 -2.43 116.66 110.79 3n3s n ARG 504 Ca -0.09 0.06 0.17 0.00 -0.77 0.00 0.00 57.85 57.22 3n3s n ARG 504 Cb 0.58 -1.50 0.87 0.00 -1.02 0.00 0.00 32.46 31.39 3n3s n ARG 504 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 3n3s h ILE 505 N 0.00 0.27 -0.01 0.55 2.10 -1.92 -1.18 117.51 117.33 3n3s h ILE 505 Ca 0.00 -0.35 0.00 0.00 1.08 0.00 0.00 64.86 65.59 3n3s h ILE 505 Cb 0.30 1.27 0.00 0.00 -1.09 0.00 0.00 36.82 37.30 3n3s h ILE 505 CO 0.00 0.05 -0.19 -2.11 -1.08 0.00 0.00 178.15 174.83 3n3s n ARG 506 N -3.36 0.73 -3.34 2.19 1.85 -1.02 -2.94 116.66 110.77 3n3s n ARG 506 Ca -0.02 -0.35 -0.20 0.00 -1.00 0.00 0.00 57.85 56.29 3n3s n ARG 506 Cb 0.20 -1.49 -0.01 0.00 -1.05 0.00 0.00 32.46 30.11 3n3s n ARG 506 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 3n3s s LEU 507 N -2.51 3.45 0.43 2.89 1.43 -0.44 -4.81 118.68 119.12 3n3s s LEU 507 Ca 0.26 -0.65 -0.23 0.00 -1.03 0.00 0.00 54.13 52.47 3n3s s LEU 507 Cb 0.20 -2.22 -0.08 0.00 0.03 0.00 0.00 46.19 44.11 3n3s s LEU 507 CO 0.50 -0.75 1.10 0.00 0.23 0.00 0.00 176.35 177.44 3n3s s ALA 508 N -2.45 3.03 -1.79 4.21 0.00 -1.26 -1.22 121.76 122.28 3n3s s ALA 508 Ca 0.51 0.81 0.25 0.00 0.00 0.00 0.00 51.96 53.52 3n3s s ALA 508 Cb -0.06 -3.32 0.39 0.00 0.00 0.00 0.00 23.12 20.12 3n3s s ALA 508 CO 0.30 -0.42 1.33 -0.35 0.00 0.00 0.00 175.76 176.62 3n3s n PRO 509 N -0.27 0.90 -0.23 0.00 -0.04 -1.26 -4.79 135.00 129.31 3n3s n PRO 509 Ca 0.06 -0.65 0.04 0.00 -0.04 0.00 0.00 63.50 62.91 3n3s n PRO 509 Cb 0.49 -1.49 0.28 0.00 -0.04 0.00 0.00 33.50 32.75 3n3s n PRO 509 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3n3s h GLN 510 N 1.58 0.90 0.00 0.54 4.20 -1.66 -0.42 115.11 120.25 3n3s h GLN 510 Ca 0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3n3s h GLN 510 Cb 0.61 -0.20 0.00 0.00 0.30 0.00 0.00 27.48 28.18 3n3s h GLN 510 CO 0.00 0.59 0.00 1.57 -0.67 0.00 0.00 178.83 180.32 3n3s h LYS 511 N 0.92 0.00 -0.02 1.46 2.10 -1.04 -2.29 116.57 117.71 3n3s h LYS 511 Ca 0.33 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.98 3n3s h LYS 511 Cb 0.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 3n3s h LYS 511 CO -0.10 0.00 -0.01 -0.25 -2.00 0.00 0.00 179.45 177.09 3n3s n ASP 512 N -2.85 2.02 -4.75 7.07 8.00 -0.18 -4.44 116.55 121.43 3n3s n ASP 512 Ca -0.02 -1.51 -0.41 0.00 0.71 0.00 0.00 54.79 53.55 3n3s n ASP 512 Cb 0.08 0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.17 3n3s n ASP 512 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 3n3s s TRP 513 N -1.05 3.11 0.23 1.24 0.51 -0.86 -4.83 118.94 117.29 3n3s s TRP 513 Ca 0.14 1.18 -0.06 0.00 -2.12 0.00 0.00 56.10 55.25 3n3s s TRP 513 Cb 0.10 -3.71 0.35 0.00 -0.81 0.00 0.00 33.47 29.40 3n3s s TRP 513 CO 0.16 -2.21 1.80 1.49 -0.51 0.00 0.00 176.95 177.68 3n3s h GLU 514 N 4.79 0.70 -0.11 4.98 4.81 -1.93 -0.19 114.58 127.62 3n3s h GLU 514 Ca -0.46 -0.04 0.03 0.00 -0.13 0.00 0.00 59.36 58.76 3n3s h GLU 514 Cb 1.22 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 30.44 3n3s h GLU 514 CO 0.75 0.46 0.10 0.00 -0.73 0.00 0.00 179.01 179.60 3n3s h ALA 515 N 1.43 1.83 -0.01 2.92 0.00 -1.91 -0.97 119.26 122.55 3n3s h ALA 515 Ca 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 3n3s h ALA 515 Cb 0.33 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3n3s h ALA 515 CO -0.24 -0.16 -0.06 0.09 0.00 0.00 0.00 179.25 178.88 3n3s n ASN 516 N -4.05 0.72 -3.23 0.00 3.02 -0.09 -4.89 115.26 106.74 3n3s n ASN 516 Ca -0.00 -0.98 -0.12 0.00 -0.03 0.00 0.00 54.58 53.45 3n3s n ASN 516 Cb 0.21 -0.02 0.05 0.00 -0.61 0.00 0.00 39.78 39.41 3n3s n ASN 516 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3n3s n GLN 517 N -0.60 -1.88 -0.32 3.52 6.02 -0.37 -4.32 117.38 119.44 3n3s n GLN 517 Ca 0.18 1.04 0.20 0.00 -0.01 0.00 0.00 57.00 58.41 3n3s n GLN 517 Cb 0.27 -5.65 0.40 0.00 1.02 0.00 0.00 30.24 26.28 3n3s n GLN 517 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 3n3s h PRO 518 N -0.64 0.20 -0.21 -1.09 0.11 -1.78 0.19 132.00 128.79 3n3s h PRO 518 Ca -0.42 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.49 3n3s h PRO 518 Cb 1.22 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3n3s h PRO 518 CO 0.40 0.14 -0.60 0.93 -0.21 0.00 0.00 178.00 178.65 3n3s h GLU 519 N 0.21 0.78 -0.35 1.05 4.39 -1.89 -0.97 114.58 117.80 3n3s h GLU 519 Ca 0.67 -0.56 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 3n3s h GLU 519 Cb 1.50 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 30.22 3n3s h GLU 519 CO -0.68 1.18 0.16 0.37 -1.16 0.00 0.00 179.01 178.88 3n3s h GLN 520 N 0.52 0.51 -0.43 2.33 4.15 -1.50 -2.50 115.11 118.20 3n3s h GLN 520 Ca -0.01 -0.08 0.07 0.00 0.77 0.00 0.00 58.65 59.40 3n3s h GLN 520 Cb 1.22 -0.09 -0.06 0.00 0.21 0.00 0.00 27.48 28.76 3n3s h GLN 520 CO 0.13 0.47 0.08 1.25 -1.93 0.00 0.00 178.83 178.83 3n3s h LEU 521 N 0.43 -0.01 -0.65 -2.39 5.85 -0.95 -1.81 115.31 115.78 3n3s h LEU 521 Ca 0.12 0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.95 3n3s h LEU 521 Cb 0.14 0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 3n3s h LEU 521 CO -0.01 0.03 0.39 0.00 -0.34 0.00 0.00 178.44 178.50 3n3s h ALA 522 N 1.33 0.85 -0.63 1.25 0.00 -1.05 0.18 119.26 121.20 3n3s h ALA 522 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3n3s h ALA 522 Cb 0.27 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3n3s h ALA 522 CO -0.28 0.11 0.41 0.00 0.00 0.00 0.00 179.25 179.49 3n3s h ALA 523 N 1.30 0.80 -0.31 0.00 0.00 -0.94 -1.16 119.26 118.94 3n3s h ALA 523 Ca 0.27 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 3n3s h ALA 523 Cb 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3n3s h ALA 523 CO -0.13 0.24 -0.24 0.28 0.00 0.00 0.00 179.25 179.40 3n3s h VAL 524 N 0.85 1.30 -0.48 0.00 2.07 -0.60 -2.40 116.25 116.99 3n3s h VAL 524 Ca 0.23 -1.38 -0.04 0.00 0.82 0.00 0.00 66.70 66.32 3n3s h VAL 524 Cb -0.08 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 3n3s h VAL 524 CO -0.05 0.45 0.12 -0.07 0.02 0.00 0.00 177.57 178.04 3n3s h LEU 525 N 0.46 0.66 -0.48 2.57 3.38 -0.91 -0.11 115.31 120.89 3n3s h LEU 525 Ca 0.06 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 3n3s h LEU 525 Cb 0.79 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 3n3s h LEU 525 CO 0.06 0.65 0.14 -0.08 0.09 0.00 0.00 178.44 179.30 3n3s h GLU 526 N 0.69 0.75 -0.43 1.13 4.81 -0.96 0.25 114.58 120.82 3n3s h GLU 526 Ca 0.16 -0.17 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 3n3s h GLU 526 Cb 0.25 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 3n3s h GLU 526 CO -0.00 0.72 0.10 1.15 -0.73 0.00 0.00 179.01 180.24 3n3s h THR 527 N 0.65 1.24 -0.48 0.32 2.02 -0.93 -2.22 112.91 113.50 3n3s h THR 527 Ca 0.15 -0.83 -0.11 0.00 0.77 0.00 0.00 66.41 66.40 3n3s h THR 527 Cb 0.29 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.63 3n3s h THR 527 CO -0.00 0.29 -0.14 -0.07 0.37 0.00 0.00 175.52 175.97 3n3s h LEU 528 N 0.56 0.91 -1.29 2.58 3.38 -0.82 -1.77 115.31 118.87 3n3s h LEU 528 Ca 0.13 -0.30 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 3n3s h LEU 528 Cb 0.33 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3n3s h LEU 528 CO 0.00 1.05 -0.31 -0.33 0.09 0.00 0.00 178.44 178.94 3n3s h GLU 529 N 0.81 0.07 -0.15 1.13 5.08 -0.41 0.23 114.58 121.35 3n3s h GLU 529 Ca 0.12 -0.02 -0.21 0.00 -1.00 0.00 0.00 59.36 58.25 3n3s h GLU 529 Cb 0.67 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.92 3n3s h GLU 529 CO 0.05 0.38 -0.74 0.00 -1.00 0.00 0.00 179.01 177.70 3n3s h ALA 530 N 1.62 0.41 -0.33 3.43 0.00 -0.96 -0.61 119.26 122.83 3n3s h ALA 530 Ca 0.01 -0.59 -0.02 0.00 0.00 0.00 0.00 54.91 54.31 3n3s h ALA 530 Cb 0.58 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3n3s h ALA 530 CO 0.04 0.70 0.14 0.82 0.00 0.00 0.00 179.25 180.96 3n3s h ILE 531 N 0.49 1.17 -0.43 0.00 2.04 -1.05 -1.48 117.51 118.25 3n3s h ILE 531 Ca -0.04 -0.52 0.03 0.00 1.00 0.00 0.00 64.86 65.33 3n3s h ILE 531 Cb 1.35 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 38.30 3n3s h ILE 531 CO 0.15 0.18 0.23 -0.09 0.00 0.00 0.00 178.15 178.62 3n3s h ARG 532 N 0.39 0.45 -0.55 2.37 2.43 -0.78 -1.05 114.38 117.64 3n3s h ARG 532 Ca 0.11 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 3n3s h ARG 532 Cb 0.16 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.58 3n3s h ARG 532 CO -0.01 0.30 0.24 1.15 -1.51 0.00 0.00 179.97 180.14 3n3s h THR 533 N 0.46 1.21 -0.49 0.20 2.02 -0.93 0.93 112.91 116.32 3n3s h THR 533 Ca 0.18 -0.63 -0.13 0.00 0.77 0.00 0.00 66.41 66.60 3n3s h THR 533 Cb 0.06 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 3n3s h THR 533 CO -0.11 0.25 -0.21 0.00 0.37 0.00 0.00 175.52 175.82 3n3s h ALA 534 N 1.08 0.70 -0.20 6.16 0.00 -1.15 -1.14 119.26 124.72 3n3s h ALA 534 Ca 0.19 -0.39 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 3n3s h ALA 534 Cb 0.16 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3n3s h ALA 534 CO -0.02 0.68 -0.11 0.35 0.00 0.00 0.00 179.25 180.15 3n3s h PHE 535 N 0.87 0.49 0.00 0.00 3.57 -0.91 -2.92 116.94 118.03 3n3s h PHE 535 Ca 0.11 -0.13 -0.08 0.00 3.53 0.00 0.00 57.97 61.41 3n3s h PHE 535 Cb 0.79 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 3n3s h PHE 535 CO 0.05 0.73 -0.39 -0.91 -2.23 0.00 0.00 178.31 175.56 3n3s h ASN 536 N 0.11 0.00 0.51 0.41 2.35 -0.74 -2.55 115.58 115.67 3n3s h ASN 536 Ca 0.04 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.70 3n3s h ASN 536 Cb 0.60 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 3n3s h ASN 536 CO 0.03 0.39 -0.43 1.23 -1.65 0.00 0.00 177.43 177.00 3n3s h GLY 537 N 1.33 0.00 1.05 2.83 0.00 -1.09 -2.67 103.07 104.52 3n3s h GLY 537 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3n3s h GLY 537 CO 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 176.54 176.30 3n3s n ALA 538 N -2.42 3.09 -1.86 3.60 0.00 -0.97 -4.98 120.51 116.97 3n3s n ALA 538 Ca -0.01 -0.29 -0.32 0.00 0.00 0.00 0.00 53.44 52.82 3n3s n ALA 538 Cb 0.47 -1.23 -0.01 0.00 0.00 0.00 0.00 19.45 18.68 3n3s n ALA 538 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3n3s s GLN 539 N -2.82 3.79 0.14 0.00 -1.52 -1.01 -5.10 119.66 113.14 3n3s s GLN 539 Ca 0.17 0.85 0.08 0.00 -1.95 0.00 0.00 55.36 54.52 3n3s s GLN 539 Cb 0.19 -2.11 -0.04 0.00 -0.22 0.00 0.00 33.01 30.82 3n3s s GLN 539 CO 0.60 -0.41 -0.11 1.03 -0.25 0.00 0.00 175.29 176.15 3n3s s ARG 540 N -4.58 2.04 0.00 2.91 1.81 -1.26 -4.82 118.95 115.05 3n3s s ARG 540 Ca 0.57 -1.17 0.00 0.00 -1.72 0.00 0.00 55.73 53.41 3n3s s ARG 540 Cb -0.10 -2.20 0.00 0.00 -0.45 0.00 0.00 34.95 32.19 3n3s s ARG 540 CO 0.42 0.47 0.00 0.41 -0.68 0.00 0.00 175.30 175.91 3n3s n GLY 541 N 0.39 0.43 2.70 -3.53 0.00 -1.26 -3.08 105.19 100.84 3n3s n GLY 541 Ca -0.12 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.09 3n3s n GLY 541 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3n3s n GLY 542 N -2.96 1.75 3.75 -0.02 0.00 -1.26 -4.71 105.19 101.74 3n3s n GLY 542 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3n3s n GLY 542 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3n3s s LYS 543 N -0.10 4.11 0.16 1.61 2.20 -1.18 -4.42 119.74 122.12 3n3s s LYS 543 Ca 0.00 2.60 -0.12 0.00 -0.36 0.00 0.00 55.97 58.09 3n3s s LYS 543 Cb 0.00 -3.02 0.01 0.00 -1.51 0.00 0.00 37.83 33.31 3n3s s LYS 543 CO 0.00 -0.66 0.36 1.14 -0.36 0.00 0.00 175.35 175.83 3n3s s GLN 544 N -0.42 1.16 -0.07 4.03 -2.07 -1.22 -4.74 119.66 116.33 3n3s s GLN 544 Ca 0.64 -0.98 0.02 0.00 -1.82 0.00 0.00 55.36 53.22 3n3s s GLN 544 Cb -0.48 0.43 -0.03 0.00 -1.09 0.00 0.00 33.01 31.84 3n3s s GLN 544 CO 0.47 -0.45 -0.11 0.54 -1.32 0.00 0.00 175.29 174.42 3n3s s VAL 545 N -3.90 3.30 0.63 3.63 0.11 -1.26 -4.44 120.40 118.48 3n3s s VAL 545 Ca 0.11 -0.62 -0.11 0.00 -2.93 0.00 0.00 61.98 58.43 3n3s s VAL 545 Cb 0.02 -2.33 -0.03 0.00 -1.53 0.00 0.00 36.38 32.51 3n3s s VAL 545 CO -0.04 0.58 1.03 -0.94 -3.33 0.00 0.00 175.10 172.39 3n3s s SER 546 N -0.57 6.02 0.30 3.54 1.04 -1.26 -4.95 113.70 117.82 3n3s s SER 546 Ca 0.08 1.30 0.05 0.00 0.48 0.00 0.00 55.95 57.86 3n3s s SER 546 Cb -0.12 -2.30 0.48 0.00 0.10 0.00 0.00 66.02 64.18 3n3s s SER 546 CO 0.02 -0.97 1.74 0.25 0.98 0.00 0.00 173.24 175.26 3n3s h LEU 547 N -0.36 0.36 -0.41 2.42 5.85 -1.94 -1.45 115.31 119.78 3n3s h LEU 547 Ca -0.44 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.17 3n3s h LEU 547 Cb 1.21 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.11 3n3s h LEU 547 CO 0.62 0.65 0.24 0.00 -0.34 0.00 0.00 178.44 179.61 3n3s h ALA 548 N 1.38 0.52 -0.36 1.25 0.00 -1.88 0.16 119.26 120.33 3n3s h ALA 548 Ca 0.04 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 3n3s h ALA 548 Cb 0.68 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3n3s h ALA 548 CO 0.05 -0.09 -0.27 -0.44 0.00 0.00 0.00 179.25 178.50 3n3s h ASP 549 N 0.49 0.77 -0.04 0.00 3.32 -1.76 -3.00 116.42 116.19 3n3s h ASP 549 Ca 0.16 -0.29 -0.11 0.00 0.02 0.00 0.00 57.03 56.80 3n3s h ASP 549 Cb 0.00 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 3n3s h ASP 549 CO -0.07 1.00 -0.33 0.25 -1.72 0.00 0.00 179.24 178.36 3n3s h LEU 550 N 0.64 0.54 -0.47 1.55 5.85 -0.78 0.36 115.31 123.00 3n3s h LEU 550 Ca 0.08 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 3n3s h LEU 550 Cb 0.79 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 3n3s h LEU 550 CO 0.06 0.83 0.27 0.40 -0.34 0.00 0.00 178.44 179.67 3n3s h ILE 551 N 0.44 1.15 -0.41 4.05 2.04 -0.97 0.22 117.51 124.04 3n3s h ILE 551 Ca 0.05 -0.36 -0.08 0.00 1.00 0.00 0.00 64.86 65.48 3n3s h ILE 551 Cb 0.79 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.40 3n3s h ILE 551 CO 0.06 0.16 -0.04 0.58 0.00 0.00 0.00 178.15 178.91 3n3s h VAL 552 N 0.62 1.27 -0.40 1.67 2.07 -1.36 -2.09 116.25 118.03 3n3s h VAL 552 Ca 0.17 -1.10 -0.08 0.00 0.82 0.00 0.00 66.70 66.51 3n3s h VAL 552 Cb 0.01 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 3n3s h VAL 552 CO -0.03 0.37 -0.08 0.25 0.02 0.00 0.00 177.57 178.10 3n3s h LEU 553 N 0.57 0.66 -0.78 2.57 5.85 -0.68 -0.99 115.31 122.52 3n3s h LEU 553 Ca 0.11 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.61 3n3s h LEU 553 Cb 0.54 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.36 3n3s h LEU 553 CO 0.03 0.78 0.29 0.00 -0.34 0.00 0.00 178.44 179.20 3n3s h ALA 554 N 1.29 1.01 -0.50 1.25 0.00 -0.51 -0.39 119.26 121.42 3n3s h ALA 554 Ca 0.12 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.84 3n3s h ALA 554 Cb 0.50 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3n3s h ALA 554 CO 0.03 0.66 0.30 0.78 0.00 0.00 0.00 179.25 181.02 3n3s h GLY 555 N 1.14 0.71 1.21 0.00 0.00 -0.95 -0.34 103.07 104.83 3n3s h GLY 555 Ca 0.26 -0.23 -0.08 0.00 0.00 0.00 0.00 47.33 47.28 3n3s h GLY 555 CO -0.02 0.19 0.04 0.00 0.00 0.00 0.00 176.54 176.76 3n3s h ALA 557 N 1.14 0.96 -0.61 0.00 0.00 -0.65 -0.23 119.26 119.87 3n3s h ALA 557 Ca 0.17 -0.25 0.07 0.00 0.00 0.00 0.00 54.91 54.90 3n3s h ALA 557 Cb 0.47 -0.27 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 3n3s h ALA 557 CO 0.02 0.67 0.30 0.78 0.00 0.00 0.00 179.25 181.02 3n3s h GLY 558 N 1.09 0.87 0.92 0.00 0.00 -0.57 0.11 103.07 105.50 3n3s h GLY 558 Ca 0.23 -0.19 -0.08 0.00 0.00 0.00 0.00 47.33 47.28 3n3s h GLY 558 CO 0.00 0.09 -0.14 -2.08 0.00 0.00 0.00 176.54 174.41 3n3s h VAL 559 N 0.55 1.29 -0.90 4.60 2.07 -0.82 -0.37 116.25 122.67 3n3s h VAL 559 Ca 0.28 -1.23 0.03 0.00 0.82 0.00 0.00 66.70 66.60 3n3s h VAL 559 Cb 0.24 1.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.40 3n3s h VAL 559 CO -0.22 0.40 0.59 -0.33 0.02 0.00 0.00 177.57 178.03 3n3s h GLU 560 N 0.39 1.13 -0.40 1.57 5.08 -0.77 -0.61 114.58 120.97 3n3s h GLU 560 Ca 0.07 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 3n3s h GLU 560 Cb 0.66 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.64 3n3s h GLU 560 CO 0.04 0.75 -0.15 0.37 -1.00 0.00 0.00 179.01 179.02 3n3s h GLN 561 N 1.16 0.74 -0.43 2.33 5.75 -0.57 -0.88 115.11 123.21 3n3s h GLN 561 Ca 0.35 -0.26 -0.09 0.00 -0.15 0.00 0.00 58.65 58.50 3n3s h GLN 561 Cb -0.05 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.43 3n3s h GLN 561 CO -0.10 0.85 -0.08 0.00 -2.65 0.00 0.00 178.83 176.85 3n3s h ALA 562 N 1.17 1.04 -0.36 3.38 0.00 -0.57 0.61 119.26 124.54 3n3s h ALA 562 Ca 0.11 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.60 3n3s h ALA 562 Cb 0.63 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3n3s h ALA 562 CO 0.04 0.58 -0.23 0.00 0.00 0.00 0.00 179.25 179.65 3n3s h ALA 563 N 1.22 0.51 -0.97 0.00 0.00 -0.67 0.45 119.26 119.79 3n3s h ALA 563 Ca 0.12 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.69 3n3s h ALA 563 Cb 0.54 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 3n3s h ALA 563 CO 0.03 0.49 0.64 -0.22 0.00 0.00 0.00 179.25 180.19 3n3s h LYS 564 N 0.58 1.20 -0.34 0.00 3.64 -0.59 -0.71 116.57 120.35 3n3s h LYS 564 Ca 0.07 -0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 3n3s h LYS 564 Cb 0.79 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 32.32 3n3s h LYS 564 CO 0.06 0.80 0.23 -0.91 -2.27 0.00 0.00 179.45 177.36 3n3s h ASN 565 N 1.24 0.22 -0.05 4.20 2.35 -0.69 -0.75 115.58 122.10 3n3s h ASN 565 Ca 0.38 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.13 3n3s h ASN 565 Cb -0.02 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.30 3n3s h ASN 565 CO -0.11 0.14 0.00 0.00 -1.65 0.00 0.00 177.43 175.81 3n3s n ALA 566 N -2.53 2.58 -0.80 -0.83 0.00 -0.60 -4.93 120.51 113.39 3n3s n ALA 566 Ca 0.04 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.08 3n3s n ALA 566 Cb 0.23 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.46 3n3s n ALA 566 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3n3s n GLY 567 N 1.10 0.54 3.49 0.00 0.00 -0.29 -5.02 105.19 105.02 3n3s n GLY 567 Ca 0.19 -0.82 -0.33 0.00 0.00 0.00 0.00 46.02 45.06 3n3s n GLY 567 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3n3s s HIS 568 N -2.00 2.73 -0.55 1.61 3.76 -0.37 -4.99 115.29 115.47 3n3s s HIS 568 Ca 0.00 -0.15 -0.17 0.00 -0.15 0.00 0.00 55.06 54.59 3n3s s HIS 568 Cb 0.00 -1.64 0.12 0.00 1.11 0.00 0.00 32.58 32.17 3n3s s HIS 568 CO 0.00 0.19 0.55 0.00 -0.85 0.00 0.00 174.74 174.64 3n3s s ALA 569 N -0.72 3.58 -0.05 -1.40 0.00 -1.26 -2.93 121.76 118.99 3n3s s ALA 569 Ca 0.11 -2.45 0.04 0.00 0.00 0.00 0.00 51.96 49.66 3n3s s ALA 569 Cb -0.11 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.68 3n3s s ALA 569 CO 0.01 -2.11 -0.15 0.08 0.00 0.00 0.00 175.76 173.59 3n3s s VAL 570 N 1.90 1.33 -0.12 0.00 1.01 -1.26 -5.09 120.40 118.16 3n3s s VAL 570 Ca 0.05 -0.64 -0.06 0.00 0.00 0.00 0.00 61.98 61.34 3n3s s VAL 570 Cb -0.28 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 3n3s s VAL 570 CO 0.04 0.39 0.10 0.42 0.00 0.00 0.00 175.10 176.05 3n3s s THR 571 N 0.24 5.16 -0.20 3.92 -4.23 -1.26 -4.79 115.64 114.48 3n3s s THR 571 Ca -0.08 0.08 -0.07 0.00 -1.18 0.00 0.00 61.69 60.44 3n3s s THR 571 Cb -0.13 -3.24 -0.03 0.00 1.34 0.00 0.00 72.50 70.44 3n3s s THR 571 CO 0.03 0.60 0.05 -0.69 -0.54 0.00 0.00 174.62 174.07 3n3s s VAL 572 N -0.88 4.46 0.54 2.29 1.01 -1.26 -5.07 120.40 121.49 3n3s s VAL 572 Ca 0.14 -0.14 -0.22 0.00 0.00 0.00 0.00 61.98 61.76 3n3s s VAL 572 Cb -0.12 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.19 3n3s s VAL 572 CO 0.03 0.42 1.37 -2.84 0.00 0.00 0.00 175.10 174.08 3n3s s PRO 573 N 0.81 3.15 -0.02 2.72 0.02 -1.26 -5.04 135.00 135.38 3n3s s PRO 573 Ca 0.03 2.26 -0.01 0.00 0.02 0.00 0.00 61.00 63.29 3n3s s PRO 573 Cb -0.14 -2.27 0.01 0.00 0.02 0.00 0.00 34.50 32.12 3n3s s PRO 573 CO 0.02 -1.19 0.05 0.12 -0.33 0.00 0.00 177.00 175.68 3n3s s PHE 574 N -1.29 -0.05 -0.23 6.54 5.36 -1.26 -4.94 117.98 122.11 3n3s s PHE 574 Ca 0.71 0.15 0.00 0.00 -0.96 0.00 0.00 56.93 56.84 3n3s s PHE 574 Cb -0.41 -0.03 0.03 0.00 -0.34 0.00 0.00 43.02 42.27 3n3s s PHE 574 CO 0.49 -0.05 -0.11 0.00 -1.46 0.00 0.00 175.22 174.09 3n3s s ALA 575 N 0.27 2.57 1.03 11.12 0.00 -1.26 -5.12 121.76 130.37 3n3s s ALA 575 Ca -0.02 -1.46 -0.14 0.00 0.00 0.00 0.00 51.96 50.33 3n3s s ALA 575 Cb -0.03 -1.53 0.20 0.00 0.00 0.00 0.00 23.12 21.76 3n3s s ALA 575 CO -0.01 -0.77 1.13 -1.25 0.00 0.00 0.00 175.76 174.86 3n3s s PRO 576 N 1.27 0.19 0.00 0.00 0.04 -1.26 -4.74 135.00 130.50 3n3s s PRO 576 Ca -0.00 0.21 0.00 0.00 0.04 0.00 0.00 61.00 61.24 3n3s s PRO 576 Cb -0.16 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.64 3n3s s PRO 576 CO -0.07 -2.82 0.00 0.41 0.04 0.00 0.00 177.00 174.56 3n3s n GLY 577 N -1.61 0.41 3.78 0.56 0.00 -1.26 -5.10 105.19 101.97 3n3s n GLY 577 Ca 0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.75 3n3s n GLY 577 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3n3s s ARG 578 N 0.00 3.55 0.35 1.61 0.52 -1.26 -4.93 118.95 118.79 3n3s s ARG 578 Ca 0.00 1.63 0.09 0.00 -0.52 0.00 0.00 55.73 56.93 3n3s s ARG 578 Cb 0.00 -2.16 -0.06 0.00 0.52 0.00 0.00 34.95 33.25 3n3s s ARG 578 CO 0.00 -0.69 -0.04 0.00 0.02 0.00 0.00 175.30 174.59 3n3s s ALA 579 N -1.72 3.08 -0.25 2.13 0.00 -1.26 -4.52 121.76 119.23 3n3s s ALA 579 Ca 0.69 -2.07 -0.09 0.00 0.00 0.00 0.00 51.96 50.49 3n3s s ALA 579 Cb -0.24 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 3n3s s ALA 579 CO 0.29 0.05 0.13 -0.51 0.00 0.00 0.00 175.76 175.71 3n3s s ASP 580 N -3.67 5.74 0.44 0.00 1.01 -1.26 -0.94 116.67 117.99 3n3s s ASP 580 Ca 0.34 -0.02 -0.15 0.00 0.71 0.00 0.00 52.55 53.43 3n3s s ASP 580 Cb 0.02 -2.04 -0.08 0.00 1.01 0.00 0.00 42.92 41.84 3n3s s ASP 580 CO 0.18 0.02 0.88 0.00 0.21 0.00 0.00 175.17 176.45 3n3s s ALA 581 N 1.32 3.19 0.53 5.23 0.00 0.43 -4.61 121.76 127.86 3n3s s ALA 581 Ca 0.06 0.05 -0.02 0.00 0.00 0.00 0.00 51.96 52.06 3n3s s ALA 581 Cb -0.15 -2.94 0.01 0.00 0.00 0.00 0.00 23.12 20.05 3n3s s ALA 581 CO 0.06 -0.05 0.79 -1.54 0.00 0.00 0.00 175.76 175.01 3n3s s SER 582 N -2.91 5.55 0.33 0.00 1.04 -1.26 -4.89 113.70 111.56 3n3s s SER 582 Ca 0.56 0.35 0.03 0.00 0.48 0.00 0.00 55.95 57.37 3n3s s SER 582 Cb -0.10 -1.39 0.62 0.00 0.10 0.00 0.00 66.02 65.25 3n3s s SER 582 CO 0.28 -0.98 1.96 -0.61 0.98 0.00 0.00 173.24 174.86 3n3s h GLN 583 N 0.08 0.87 0.00 4.02 5.75 -1.97 -1.84 115.11 122.02 3n3s h GLN 583 Ca -0.45 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.00 3n3s h GLN 583 Cb 1.27 -0.20 0.00 0.00 1.07 0.00 0.00 27.48 29.62 3n3s h GLN 583 CO 0.57 0.58 0.00 0.93 -2.65 0.00 0.00 178.83 178.26 3n3s h GLU 584 N 0.90 0.00 -0.42 1.69 3.07 -2.00 -0.42 114.58 117.40 3n3s h GLU 584 Ca 0.32 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.18 3n3s h GLU 584 Cb 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 3n3s h GLU 584 CO -0.10 0.00 0.00 1.04 -1.40 0.00 0.00 179.01 178.55 3n3s n GLN 585 N -3.02 1.99 -3.82 2.33 6.02 -0.70 -4.75 117.38 115.43 3n3s n GLN 585 Ca 0.01 -1.45 -0.30 0.00 -0.01 0.00 0.00 57.00 55.26 3n3s n GLN 585 Cb 0.33 -1.34 -0.15 0.00 1.02 0.00 0.00 30.24 30.10 3n3s n GLN 585 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3n3s s THR 586 N -1.49 1.19 -0.45 5.09 2.01 -0.17 -4.22 115.64 117.60 3n3s s THR 586 Ca 0.27 -1.45 -0.28 0.00 0.31 0.00 0.00 61.69 60.54 3n3s s THR 586 Cb 0.14 -1.80 -0.01 0.00 0.01 0.00 0.00 72.50 70.84 3n3s s THR 586 CO 0.18 -0.52 1.70 -0.62 -0.69 0.00 0.00 174.62 174.66 3n3s s ASP 587 N 1.48 5.83 0.28 3.53 -1.08 -1.26 -4.89 116.67 120.56 3n3s s ASP 587 Ca 0.06 0.84 -0.01 0.00 -0.52 0.00 0.00 52.55 52.92 3n3s s ASP 587 Cb -0.18 -2.53 0.42 0.00 -1.46 0.00 0.00 42.92 39.17 3n3s s ASP 587 CO -0.17 -1.84 1.84 0.58 0.52 0.00 0.00 175.17 176.09 3n3s h VAL 588 N 6.72 1.22 -0.35 1.11 2.07 -1.90 -1.23 116.25 123.89 3n3s h VAL 588 Ca -0.30 -0.79 -0.17 0.00 0.82 0.00 0.00 66.70 66.27 3n3s h VAL 588 Cb 1.15 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 3n3s h VAL 588 CO 1.11 0.30 -0.44 -0.33 0.02 0.00 0.00 177.57 178.23 3n3s h GLU 589 N 0.79 0.92 -0.10 1.57 4.39 -1.98 -2.96 114.58 117.21 3n3s h GLU 589 Ca 0.18 -0.52 -0.09 0.00 0.34 0.00 0.00 59.36 59.27 3n3s h GLU 589 Cb 0.28 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 3n3s h GLU 589 CO -0.00 1.17 -0.34 1.03 -1.16 0.00 0.00 179.01 179.70 3n3s h SER 590 N 0.73 0.20 0.80 1.42 0.87 -1.93 -2.66 113.55 112.98 3n3s h SER 590 Ca 0.05 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.51 3n3s h SER 590 Cb 1.04 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.94 3n3s h SER 590 CO 0.10 0.54 -0.11 -0.03 -0.53 0.00 0.00 176.83 176.81 3n3s h MET 591 N 0.17 0.00 -0.83 2.24 1.85 -1.07 -3.24 114.93 114.05 3n3s h MET 591 Ca 0.02 0.00 0.08 0.00 -0.61 0.00 0.00 59.70 59.19 3n3s h MET 591 Cb 0.70 0.00 -0.06 0.00 0.43 0.00 0.00 31.60 32.67 3n3s h MET 591 CO 0.05 0.11 0.54 0.00 -0.40 0.00 0.00 176.91 177.21 3n3s h ALA 592 N 1.89 1.66 0.00 0.39 0.00 -1.33 -0.58 119.26 121.29 3n3s h ALA 592 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3n3s h ALA 592 Cb 0.54 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3n3s h ALA 592 CO 0.01 0.19 0.00 1.33 0.00 0.00 0.00 179.25 180.79 3n3s n VAL 593 N -4.50 1.04 1.34 0.00 0.24 -1.22 -1.99 118.33 113.24 3n3s n VAL 593 Ca 0.13 0.28 0.14 0.00 -2.04 0.00 0.00 64.34 62.85 3n3s n VAL 593 Cb 0.27 -1.10 0.53 0.00 -1.47 0.00 0.00 33.84 32.07 3n3s n VAL 593 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3n3s n LEU 594 N -1.70 0.63 -4.69 1.34 4.77 -0.22 -4.87 117.00 112.26 3n3s n LEU 594 Ca 0.03 -0.06 -0.42 0.00 -0.03 0.00 0.00 56.01 55.53 3n3s n LEU 594 Cb 0.17 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.05 3n3s n LEU 594 CO 0.14 0.12 1.51 1.21 -1.33 0.00 0.00 177.39 179.04 3n3s n GLU 595 N -0.89 2.85 -2.35 3.23 2.13 -0.84 -4.91 120.64 119.85 3n3s n GLU 595 Ca 0.13 1.04 -0.43 0.00 0.66 0.00 0.00 57.16 58.56 3n3s n GLU 595 Cb 0.30 -2.95 -0.02 0.00 0.27 0.00 0.00 31.44 29.04 3n3s n GLU 595 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 3n3s s PRO 596 N 3.05 3.98 0.06 5.31 0.04 -1.26 -4.83 135.00 141.36 3n3s s PRO 596 Ca 0.83 1.45 0.23 0.00 0.04 0.00 0.00 61.00 63.55 3n3s s PRO 596 Cb -0.46 -3.88 -0.06 0.00 0.04 0.00 0.00 34.50 30.14 3n3s s PRO 596 CO 0.38 -1.04 0.90 1.33 0.04 0.00 0.00 177.00 178.61 3n3s n VAL 597 N 6.01 0.22 -3.90 -0.36 0.24 -1.26 -4.73 118.33 114.55 3n3s n VAL 597 Ca 0.15 -0.36 -0.20 0.00 -2.04 0.00 0.00 64.34 61.90 3n3s n VAL 597 Cb 0.46 0.08 -0.17 0.00 -1.47 0.00 0.00 33.84 32.74 3n3s n VAL 597 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3n3s s ALA 598 N -3.30 0.51 -0.30 2.33 0.00 -1.26 0.03 121.76 119.77 3n3s s ALA 598 Ca 0.00 0.03 -0.02 0.00 0.00 0.00 0.00 51.96 51.96 3n3s s ALA 598 Cb 0.13 -0.51 0.11 0.00 0.00 0.00 0.00 23.12 22.86 3n3s s ALA 598 CO 0.83 -0.22 0.19 0.34 0.00 0.00 0.00 175.76 176.89 3n3s s ASP 599 N 1.41 2.92 0.58 0.00 -1.08 0.42 -4.99 116.67 115.94 3n3s s ASP 599 Ca -0.04 -1.23 0.33 0.00 -0.52 0.00 0.00 52.55 51.09 3n3s s ASP 599 Cb -0.13 -0.09 1.82 0.00 -1.46 0.00 0.00 42.92 43.05 3n3s s ASP 599 CO -0.03 -0.41 2.20 1.23 0.52 0.00 0.00 175.17 178.69 3n3s h GLY 600 N 8.21 0.00 2.00 2.66 0.00 -1.90 -0.80 103.07 113.24 3n3s h GLY 600 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.18 3n3s h GLY 600 CO 0.39 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.62 3n3s n PHE 601 N -3.51 0.75 -0.57 5.60 3.01 -1.26 -1.20 117.46 120.28 3n3s n PHE 601 Ca -0.02 0.25 0.07 0.00 1.01 0.00 0.00 57.45 58.75 3n3s n PHE 601 Cb 0.15 -0.91 0.17 0.00 -0.01 0.00 0.00 39.48 38.89 3n3s n PHE 601 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3n3s n ARG 602 N -2.14 2.74 -3.92 -1.08 1.74 -0.79 -4.74 116.66 108.47 3n3s n ARG 602 Ca 0.04 -2.35 -0.28 0.00 -0.77 0.00 0.00 57.85 54.49 3n3s n ARG 602 Cb 0.33 -1.49 0.01 0.00 -1.02 0.00 0.00 32.46 30.29 3n3s n ARG 602 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3n3s n ASN 603 N -0.22 -2.77 -4.37 0.55 2.85 -0.34 -2.00 115.26 108.95 3n3s n ASN 603 Ca 0.14 -0.87 -0.33 0.00 -0.11 0.00 0.00 54.58 53.42 3n3s n ASN 603 Cb 0.61 -3.60 -0.14 0.00 1.24 0.00 0.00 39.78 37.89 3n3s n ASN 603 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 3n3s s TYR 604 N -3.52 2.76 -0.05 1.20 5.04 -0.37 -4.79 117.35 117.60 3n3s s TYR 604 Ca 0.38 -0.60 -0.01 0.00 -2.44 0.00 0.00 57.07 54.41 3n3s s TYR 604 Cb -0.19 -1.78 0.03 0.00 0.35 0.00 0.00 41.96 40.36 3n3s s TYR 604 CO 0.85 -0.16 0.00 -0.51 -1.34 0.00 0.00 175.55 174.39 3n3s s LEU 605 N 0.14 0.79 0.23 6.97 1.43 -1.26 -0.43 118.68 126.54 3n3s s LEU 605 Ca -0.07 -0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.00 3n3s s LEU 605 Cb -0.15 -0.34 0.24 0.00 0.03 0.00 0.00 46.19 45.97 3n3s s LEU 605 CO 0.05 -0.16 1.56 0.50 0.23 0.00 0.00 176.35 178.54 3n3s h LYS 606 N 7.89 0.31 0.00 1.70 3.64 -0.75 -3.47 116.57 125.90 3n3s h LYS 606 Ca -0.27 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 3n3s h LYS 606 Cb 1.13 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 3n3s h LYS 606 CO 0.33 0.80 0.00 0.41 -2.27 0.00 0.00 179.45 178.72 3n3s n GLY 607 N 0.21 3.61 3.67 5.01 0.00 -1.26 -5.14 105.19 111.28 3n3s n GLY 607 Ca -0.02 -0.97 -0.37 0.00 0.00 0.00 0.00 46.02 44.65 3n3s n GLY 607 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3n3s s LYS 608 N 0.84 4.14 0.33 1.61 -0.14 -1.26 -5.08 119.74 120.18 3n3s s LYS 608 Ca 0.00 0.02 0.09 0.00 -1.36 0.00 0.00 55.97 54.72 3n3s s LYS 608 Cb 0.00 -3.53 -0.05 0.00 -1.68 0.00 0.00 37.83 32.57 3n3s s LYS 608 CO 0.00 0.01 0.05 0.71 -0.76 0.00 0.00 175.35 175.36 3n3s s TYR 609 N 1.19 2.62 0.13 3.18 1.51 -1.26 -5.03 117.35 119.70 3n3s s TYR 609 Ca 0.15 -0.38 -0.02 0.00 -1.01 0.00 0.00 57.07 55.80 3n3s s TYR 609 Cb -0.14 -1.48 -0.11 0.00 -0.11 0.00 0.00 41.96 40.12 3n3s s TYR 609 CO 0.06 0.46 1.29 0.00 -1.11 0.00 0.00 175.55 176.25 3n3s h ARG 610 N 1.74 0.32 -6.43 -0.62 2.47 -2.04 -3.44 114.38 106.39 3n3s h ARG 610 Ca -0.43 -0.38 -0.54 0.00 -1.26 0.00 0.00 59.98 57.36 3n3s h ARG 610 Cb 1.25 0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 29.68 3n3s h ARG 610 CO 0.64 1.09 0.45 0.08 0.56 0.00 0.00 179.97 182.79 3n3s s VAL 611 N -3.13 4.57 0.65 2.04 1.01 -1.26 -5.02 120.40 119.26 3n3s s VAL 611 Ca -0.05 1.84 -0.16 0.00 0.00 0.00 0.00 61.98 63.62 3n3s s VAL 611 Cb 0.09 -4.18 -0.00 0.00 0.00 0.00 0.00 36.38 32.28 3n3s s VAL 611 CO 0.86 0.13 1.13 -2.84 0.00 0.00 0.00 175.10 174.38 3n3s s PRO 612 N 1.10 2.77 0.38 2.72 0.02 -1.26 -4.82 135.00 135.92 3n3s s PRO 612 Ca 0.54 1.47 0.09 0.00 0.02 0.00 0.00 61.00 63.13 3n3s s PRO 612 Cb -0.24 -1.94 0.75 0.00 0.02 0.00 0.00 34.50 33.09 3n3s s PRO 612 CO 0.28 -1.28 1.89 0.00 -0.33 0.00 0.00 177.00 177.55 3n3s h ALA 613 N 0.13 1.46 0.00 -1.55 0.00 -1.95 -0.28 119.26 117.08 3n3s h ALA 613 Ca -0.47 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.12 3n3s h ALA 613 Cb 1.26 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3n3s h ALA 613 CO 0.54 0.38 -0.43 1.05 0.00 0.00 0.00 179.25 180.79 3n3s h GLU 614 N 0.21 0.00 -0.38 0.00 9.09 -1.90 -0.51 114.58 121.08 3n3s h GLU 614 Ca 0.04 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.32 3n3s h GLU 614 Cb 0.43 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.52 3n3s h GLU 614 CO 0.03 0.43 -0.28 0.28 0.05 0.00 0.00 179.01 179.52 3n3s h VAL 615 N 0.00 1.28 -0.28 -1.06 2.07 -1.41 -2.33 116.25 114.51 3n3s h VAL 615 Ca -0.00 -1.42 -0.03 0.00 0.82 0.00 0.00 66.70 66.07 3n3s h VAL 615 Cb 0.83 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.86 3n3s h VAL 615 CO 0.06 0.47 0.03 -0.07 0.02 0.00 0.00 177.57 178.08 3n3s h LEU 616 N 0.69 0.38 0.14 2.57 3.38 -1.05 -0.71 115.31 120.71 3n3s h LEU 616 Ca 0.08 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3n3s h LEU 616 Cb 0.81 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3n3s h LEU 616 CO 0.07 0.42 -0.07 0.25 0.09 0.00 0.00 178.44 179.21 3n3s h LEU 617 N 0.41 -0.16 -1.14 1.67 5.85 -0.88 -1.73 115.31 119.33 3n3s h LEU 617 Ca 0.09 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.70 3n3s h LEU 617 Cb 0.23 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 3n3s h LEU 617 CO 0.00 0.07 0.59 0.58 -0.34 0.00 0.00 178.44 179.34 3n3s h VAL 618 N -0.38 1.14 -0.85 1.05 2.07 -1.21 0.34 116.25 118.41 3n3s h VAL 618 Ca -0.02 -0.38 0.01 0.00 0.82 0.00 0.00 66.70 67.13 3n3s h VAL 618 Cb 0.31 -0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 29.97 3n3s h VAL 618 CO 0.03 0.20 0.56 -0.78 0.02 0.00 0.00 177.57 177.60 3n3s h ASP 619 N 1.11 0.98 -0.30 0.57 3.58 -1.00 -0.35 116.42 121.01 3n3s h ASP 619 Ca 0.36 -0.03 -0.14 0.00 0.42 0.00 0.00 57.03 57.64 3n3s h ASP 619 Cb 0.04 -0.24 -0.00 0.00 1.72 0.00 0.00 39.33 40.84 3n3s h ASP 619 CO -0.11 0.71 -0.37 0.50 -2.88 0.00 0.00 179.24 177.08 3n3s h LYS 620 N 1.15 0.79 -0.76 0.28 1.63 -0.81 -1.69 116.57 117.17 3n3s h LYS 620 Ca 0.31 -0.44 0.04 0.00 -0.85 0.00 0.00 60.65 59.71 3n3s h LYS 620 Cb -0.13 0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 31.49 3n3s h LYS 620 CO -0.07 1.07 0.50 0.00 -3.45 0.00 0.00 179.45 177.50 3n3s h ALA 621 N 0.70 1.58 -0.42 5.00 0.00 -0.66 -0.34 119.26 125.13 3n3s h ALA 621 Ca 0.04 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 3n3s h ALA 621 Cb 0.96 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3n3s h ALA 621 CO 0.09 0.33 -0.28 0.37 0.00 0.00 0.00 179.25 179.76 3n3s h GLN 622 N 0.89 0.91 -0.41 0.00 -0.00 -0.34 -0.04 115.11 116.13 3n3s h GLN 622 Ca 0.31 -0.42 -0.06 0.00 -0.00 0.00 0.00 58.65 58.48 3n3s h GLN 622 Cb 0.10 -0.02 -0.02 0.00 0.00 0.00 0.00 27.48 27.55 3n3s h GLN 622 CO -0.09 1.07 0.01 -0.07 0.00 0.00 0.00 178.83 179.74 3n3s h LEU 623 N 0.77 0.61 0.00 -2.39 3.38 -0.57 -1.38 115.31 115.74 3n3s h LEU 623 Ca 0.09 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3n3s h LEU 623 Cb 0.85 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.44 3n3s h LEU 623 CO 0.07 0.68 0.00 0.18 0.09 0.00 0.00 178.44 179.46 3n3s n LEU 624 N -4.25 0.00 -1.54 1.67 4.77 -0.21 0.53 117.00 117.97 3n3s n LEU 624 Ca 0.02 0.11 -0.14 0.00 -0.03 0.00 0.00 56.01 55.97 3n3s n LEU 624 Cb 0.27 -0.11 -0.01 0.00 -2.33 0.00 0.00 43.42 41.24 3n3s n LEU 624 CO 0.40 -0.02 -0.17 0.35 -1.33 0.00 0.00 177.39 176.62 3n3s n THR 625 N -1.11 -0.63 -3.48 -5.08 -2.24 -0.52 -4.94 114.28 96.28 3n3s n THR 625 Ca 0.17 0.00 -0.34 0.00 -2.27 0.00 0.00 64.05 61.61 3n3s n THR 625 Cb 0.13 -2.10 -0.05 0.00 -2.10 0.00 0.00 70.33 66.21 3n3s n THR 625 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3n3s s LEU 626 N -3.89 4.29 0.83 3.22 1.43 -0.10 -5.02 118.68 119.44 3n3s s LEU 626 Ca 0.00 0.89 -0.11 0.00 -1.03 0.00 0.00 54.13 53.87 3n3s s LEU 626 Cb 0.00 -3.27 0.12 0.00 0.03 0.00 0.00 46.19 43.07 3n3s s LEU 626 CO 0.00 0.08 1.18 -0.94 0.23 0.00 0.00 176.35 176.90 3n3s s SER 627 N -1.96 4.07 0.17 2.29 1.04 -1.26 -4.60 113.70 113.44 3n3s s SER 627 Ca 0.39 0.43 -0.12 0.00 0.48 0.00 0.00 55.95 57.12 3n3s s SER 627 Cb -0.13 -0.78 0.06 0.00 0.10 0.00 0.00 66.02 65.26 3n3s s SER 627 CO 0.20 -2.13 1.68 0.00 0.98 0.00 0.00 173.24 173.97 3n3s h ALA 628 N -1.12 0.75 -0.70 5.32 0.00 -1.90 0.39 119.26 121.99 3n3s h ALA 628 Ca -0.44 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 3n3s h ALA 628 Cb 1.29 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.83 3n3s h ALA 628 CO 0.53 0.44 0.40 -1.35 0.00 0.00 0.00 179.25 179.27 3n3s h PRO 629 N 0.81 0.96 -0.37 0.00 0.11 -1.99 -1.09 132.00 130.44 3n3s h PRO 629 Ca 0.18 -0.10 -0.10 0.00 0.11 0.00 0.00 66.00 66.09 3n3s h PRO 629 Cb 0.34 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 3n3s h PRO 629 CO 0.00 0.70 -0.16 0.93 -0.21 0.00 0.00 178.00 179.26 3n3s h GLU 630 N 0.98 0.76 -0.59 1.05 5.08 -1.82 -1.67 114.58 118.36 3n3s h GLU 630 Ca 0.25 -0.32 0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3n3s h GLU 630 Cb 0.00 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.19 3n3s h GLU 630 CO -0.04 0.94 0.34 1.98 -1.00 0.00 0.00 179.01 181.23 3n3s h MET 631 N 0.55 0.65 -0.16 2.33 4.05 -0.73 -1.03 114.93 120.59 3n3s h MET 631 Ca 0.08 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.44 3n3s h MET 631 Cb 0.70 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.35 3n3s h MET 631 CO 0.05 0.43 0.00 1.15 0.23 0.00 0.00 176.91 178.77 3n3s h THR 632 N 0.67 1.25 -0.18 -0.77 2.02 -0.97 -0.16 112.91 114.76 3n3s h THR 632 Ca 0.24 -0.83 -0.13 0.00 0.77 0.00 0.00 66.41 66.46 3n3s h THR 632 Cb 0.07 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 3n3s h THR 632 CO -0.12 0.25 -0.44 1.62 0.37 0.00 0.00 175.52 177.20 3n3s h VAL 633 N 0.03 1.31 0.00 3.16 3.04 -1.22 -2.14 116.25 120.44 3n3s h VAL 633 Ca 0.05 -1.62 -0.00 0.00 -1.01 0.00 0.00 66.70 64.12 3n3s h VAL 633 Cb 0.37 1.65 0.00 0.00 -2.01 0.00 0.00 31.29 31.30 3n3s h VAL 633 CO 0.01 0.50 -0.00 0.25 -1.01 0.00 0.00 177.57 177.32 3n3s h LEU 634 N 0.36 -0.00 -0.06 3.16 5.85 -0.99 -1.54 115.31 122.09 3n3s h LEU 634 Ca 0.03 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.47 3n3s h LEU 634 Cb 0.92 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.94 3n3s h LEU 634 CO 0.08 0.27 0.04 0.25 -0.34 0.00 0.00 178.44 178.74 3n3s h LEU 635 N -0.28 0.07 -1.60 2.25 6.46 -0.96 0.11 115.31 121.36 3n3s h LEU 635 Ca -0.00 -0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.71 3n3s h LEU 635 Cb 0.27 -0.02 -0.01 0.00 -0.73 0.00 0.00 40.66 40.17 3n3s h LEU 635 CO 0.00 0.09 0.09 1.23 -0.62 0.00 0.00 178.44 179.23 3n3s h GLY 636 N 0.05 0.37 0.82 3.75 0.00 -1.36 -1.50 103.07 105.21 3n3s h GLY 636 Ca 0.02 -0.17 -0.12 0.00 0.00 0.00 0.00 47.33 47.07 3n3s h GLY 636 CO -0.00 0.16 -0.37 -1.33 0.00 0.00 0.00 176.54 175.00 3n3s h GLY 637 N 0.51 0.53 1.53 4.60 0.00 -0.95 -3.18 103.07 106.10 3n3s h GLY 637 Ca 0.09 -0.67 -0.04 0.00 0.00 0.00 0.00 47.33 46.70 3n3s h GLY 637 CO -0.01 0.60 0.06 1.41 0.00 0.00 0.00 176.54 178.60 3n3s h LEU 638 N 0.08 0.55 -0.57 3.11 3.38 -0.44 -2.19 115.31 119.24 3n3s h LEU 638 Ca -0.01 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.87 3n3s h LEU 638 Cb 0.99 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 3n3s h LEU 638 CO 0.08 0.58 0.36 0.03 0.09 0.00 0.00 178.44 179.58 3n3s h ARG 639 N 0.58 0.76 0.00 1.13 2.47 -1.31 -2.03 114.38 115.97 3n3s h ARG 639 Ca 0.13 -0.06 0.00 0.00 -1.26 0.00 0.00 59.98 58.79 3n3s h ARG 639 Cb 0.28 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.44 3n3s h ARG 639 CO 0.00 0.53 0.00 1.33 0.56 0.00 0.00 179.97 182.39 3n3s n VAL 640 N -4.66 0.53 1.22 2.04 0.24 -0.98 -2.85 118.33 113.87 3n3s n VAL 640 Ca 0.04 -0.19 0.13 0.00 -2.04 0.00 0.00 64.34 62.28 3n3s n VAL 640 Cb 0.04 -0.63 0.46 0.00 -1.47 0.00 0.00 33.84 32.24 3n3s n VAL 640 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3n3s n LEU 641 N -2.13 0.59 0.00 1.34 4.77 -0.86 -0.45 117.00 120.26 3n3s n LEU 641 Ca 0.05 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 3n3s n LEU 641 Cb 0.39 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3n3s n LEU 641 CO 0.29 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 3n3s n GLY 642 N 1.37 0.96 0.12 -0.72 0.00 -1.05 -3.68 105.19 102.19 3n3s n GLY 642 Ca 0.11 -0.54 0.15 0.00 0.00 0.00 0.00 46.02 45.74 3n3s n GLY 642 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3n3s n ALA 643 N -0.81 2.66 -1.76 4.61 0.00 -0.79 -4.78 120.51 119.63 3n3s n ALA 643 Ca 0.00 -0.26 -0.39 0.00 0.00 0.00 0.00 53.44 52.79 3n3s n ALA 643 Cb 0.21 -1.41 0.01 0.00 0.00 0.00 0.00 19.45 18.26 3n3s n ALA 643 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3n3s s ASN 644 N -2.13 5.98 0.30 0.00 0.01 -1.26 -4.68 114.94 113.17 3n3s s ASN 644 Ca 0.41 2.65 -0.30 0.00 -0.71 0.00 0.00 52.86 54.91 3n3s s ASN 644 Cb 0.21 -2.63 -0.11 0.00 0.41 0.00 0.00 41.25 39.13 3n3s s ASN 644 CO 0.39 -1.07 1.57 -0.69 -1.51 0.00 0.00 177.10 175.79 3n3s s VAL 645 N -1.32 2.08 -0.71 1.60 1.01 -0.85 -2.74 120.40 119.47 3n3s s VAL 645 Ca 0.62 0.07 0.00 0.00 0.00 0.00 0.00 61.98 62.67 3n3s s VAL 645 Cb -0.37 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 32.96 3n3s s VAL 645 CO 0.47 0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.19 3n3s n GLY 646 N 1.90 0.86 2.41 4.51 0.00 -1.26 -2.89 105.19 110.72 3n3s n GLY 646 Ca 0.07 -0.40 -0.20 0.00 0.00 0.00 0.00 46.02 45.48 3n3s n GLY 646 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3n3s n GLN 647 N -2.22 -1.72 -1.72 1.61 1.13 -1.11 -4.91 117.38 108.43 3n3s n GLN 647 Ca -0.07 0.99 -0.42 0.00 -1.94 0.00 0.00 57.00 55.56 3n3s n GLN 647 Cb 0.29 -5.64 -0.01 0.00 0.11 0.00 0.00 30.24 25.00 3n3s n GLN 647 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 3n3s n SER 648 N -1.97 3.20 -0.01 1.08 2.88 -1.14 -4.91 113.62 112.75 3n3s n SER 648 Ca -0.24 1.20 0.14 0.00 -1.33 0.00 0.00 58.87 58.65 3n3s n SER 648 Cb 0.68 -1.53 0.66 0.00 -0.75 0.00 0.00 64.21 63.27 3n3s n SER 648 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3n3s n ARG 649 N 0.82 0.27 -1.84 -1.46 5.12 -1.26 -4.81 116.66 113.51 3n3s n ARG 649 Ca 0.05 -0.03 -0.42 0.00 -1.93 0.00 0.00 57.85 55.52 3n3s n ARG 649 Cb 0.37 -1.50 -0.03 0.00 -1.16 0.00 0.00 32.46 30.14 3n3s n ARG 649 CO 0.00 0.00 0.00 -1.01 -1.93 0.00 0.00 177.63 174.69 3n3s s HIS 650 N -2.74 2.68 0.00 -1.55 3.76 -1.26 -1.32 115.29 114.86 3n3s s HIS 650 Ca 0.22 0.36 0.00 0.00 -0.15 0.00 0.00 55.06 55.49 3n3s s HIS 650 Cb 0.20 -4.04 0.00 0.00 1.11 0.00 0.00 32.58 29.85 3n3s s HIS 650 CO 0.50 -4.03 0.00 0.41 -0.85 0.00 0.00 174.74 170.78 3n3s n GLY 651 N 3.96 0.48 2.86 -2.22 0.00 -0.53 -4.87 105.19 104.87 3n3s n GLY 651 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3n3s n GLY 651 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3n3s n VAL 652 N -2.37 4.41 -1.82 1.61 0.31 -0.43 -4.78 118.33 115.25 3n3s n VAL 652 Ca 0.00 -4.47 -0.41 0.00 -0.01 0.00 0.00 64.34 59.46 3n3s n VAL 652 Cb 0.09 -2.34 -0.01 0.00 -0.91 0.00 0.00 33.84 30.67 3n3s n VAL 652 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3n3s n PHE 653 N 3.69 2.75 -3.64 3.52 0.99 -1.26 -4.84 117.46 118.66 3n3s n PHE 653 Ca 0.39 -2.92 -0.14 0.00 -0.00 0.00 0.00 57.45 54.78 3n3s n PHE 653 Cb 0.36 -2.16 -0.07 0.00 -1.00 0.00 0.00 39.48 36.61 3n3s n PHE 653 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.76 176.68 3n3s s THR 654 N 0.78 0.04 -2.65 4.37 -1.32 -1.26 -3.75 115.64 111.85 3n3s s THR 654 Ca 0.55 -0.31 0.24 0.00 -1.21 0.00 0.00 61.69 60.96 3n3s s THR 654 Cb 0.16 -0.87 0.37 0.00 -1.51 0.00 0.00 72.50 70.65 3n3s s THR 654 CO -0.06 -0.17 1.44 0.00 -2.21 0.00 0.00 174.62 173.62 3n3s n ALA 655 N 0.82 2.48 -3.17 11.08 0.00 -1.26 -4.55 120.51 125.92 3n3s n ALA 655 Ca -0.20 -0.69 -0.24 0.00 0.00 0.00 0.00 53.44 52.32 3n3s n ALA 655 Cb 0.58 -0.95 -0.05 0.00 0.00 0.00 0.00 19.45 19.03 3n3s n ALA 655 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3n3s n ARG 656 N 0.98 1.87 -1.68 0.00 1.85 -1.26 -5.10 116.66 113.31 3n3s n ARG 656 Ca 0.17 -4.03 -0.38 0.00 -1.00 0.00 0.00 57.85 52.61 3n3s n ARG 656 Cb 0.51 -1.86 0.05 0.00 -1.05 0.00 0.00 32.46 30.11 3n3s n ARG 656 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 3n3s n GLU 657 N 0.48 1.18 -1.00 2.89 2.13 -1.26 -2.34 120.64 122.71 3n3s n GLU 657 Ca 0.27 0.45 -0.00 0.00 0.66 0.00 0.00 57.16 58.54 3n3s n GLU 657 Cb 0.51 -2.37 -0.00 0.00 0.27 0.00 0.00 31.44 29.84 3n3s n GLU 657 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 3n3s n GLN 658 N -1.23 -0.72 -4.66 5.31 6.02 0.41 -5.01 117.38 117.49 3n3s n GLN 658 Ca 0.13 0.19 -0.34 0.00 -0.01 0.00 0.00 57.00 56.98 3n3s n GLN 658 Cb 0.46 -3.74 -0.12 0.00 1.02 0.00 0.00 30.24 27.87 3n3s n GLN 658 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3n3s s ALA 659 N -1.65 2.90 -0.67 -1.58 0.00 -0.99 -4.33 121.76 115.44 3n3s s ALA 659 Ca 0.00 -0.90 -0.24 0.00 0.00 0.00 0.00 51.96 50.82 3n3s s ALA 659 Cb 0.00 -1.21 0.06 0.00 0.00 0.00 0.00 23.12 21.97 3n3s s ALA 659 CO 0.00 0.51 1.04 -1.17 0.00 0.00 0.00 175.76 176.14 3n3s s LEU 660 N -0.60 4.06 0.20 0.00 2.96 0.11 -4.67 118.68 120.75 3n3s s LEU 660 Ca 0.09 -0.81 0.01 0.00 -0.22 0.00 0.00 54.13 53.19 3n3s s LEU 660 Cb -0.12 -2.48 -0.05 0.00 0.50 0.00 0.00 46.19 44.05 3n3s s LEU 660 CO 0.02 -1.53 0.07 0.42 -1.32 0.00 0.00 176.35 174.01 3n3s s THR 661 N 4.47 0.40 -0.44 3.68 -4.23 -1.26 -4.77 115.64 113.49 3n3s s THR 661 Ca 0.26 -1.98 0.05 0.00 -1.18 0.00 0.00 61.69 58.84 3n3s s THR 661 Cb -0.14 -2.36 0.39 0.00 1.34 0.00 0.00 72.50 71.72 3n3s s THR 661 CO 0.12 -0.22 1.29 -0.46 -0.54 0.00 0.00 174.62 174.82 3n3s n ASN 662 N -0.30 3.42 -0.06 3.99 6.94 -1.26 -4.53 115.26 123.47 3n3s n ASN 662 Ca -0.02 -2.64 0.12 0.00 -0.02 0.00 0.00 54.58 52.02 3n3s n ASN 662 Cb 0.65 -0.63 0.52 0.00 -2.36 0.00 0.00 39.78 37.96 3n3s n ASN 662 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 3n3s h ASP 663 N 1.36 0.32 -0.55 0.53 3.32 -1.93 -2.25 116.42 117.23 3n3s h ASP 663 Ca 0.15 0.01 0.08 0.00 0.02 0.00 0.00 57.03 57.29 3n3s h ASP 663 Cb 1.58 -0.06 -0.07 0.00 0.22 0.00 0.00 39.33 41.01 3n3s h ASP 663 CO 0.40 0.20 0.20 0.15 -1.72 0.00 0.00 179.24 178.46 3n3s h PHE 664 N 0.36 0.34 -0.14 4.55 3.57 -1.80 -0.06 116.94 123.76 3n3s h PHE 664 Ca 0.26 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.64 3n3s h PHE 664 Cb 0.53 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.21 3n3s h PHE 664 CO -0.00 0.09 -0.47 0.74 -2.23 0.00 0.00 178.31 176.44 3n3s h PHE 665 N 0.37 0.74 -0.41 0.41 -1.00 -1.75 -0.69 116.94 114.62 3n3s h PHE 665 Ca 0.27 -0.30 -0.06 0.00 2.81 0.00 0.00 57.97 60.69 3n3s h PHE 665 Cb 0.32 -0.12 -0.01 0.00 3.61 0.00 0.00 35.95 39.74 3n3s h PHE 665 CO -0.17 1.07 0.01 0.28 -1.61 0.00 0.00 178.31 177.89 3n3s h VAL 666 N 0.20 1.26 -0.23 -0.55 2.07 -1.29 -1.21 116.25 116.49 3n3s h VAL 666 Ca -0.02 -1.00 -0.18 0.00 0.82 0.00 0.00 66.70 66.33 3n3s h VAL 666 Cb 1.10 1.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.96 3n3s h VAL 666 CO 0.10 0.34 -0.56 0.78 0.02 0.00 0.00 177.57 178.25 3n3s h ASN 667 N 0.55 0.80 -0.63 0.57 2.35 -1.05 -2.99 115.58 115.18 3n3s h ASN 667 Ca 0.12 -0.43 -0.02 0.00 -0.55 0.00 0.00 56.30 55.41 3n3s h ASN 667 Cb 0.47 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.58 3n3s h ASN 667 CO 0.02 1.19 0.32 0.25 -1.65 0.00 0.00 177.43 177.56 3n3s h LEU 668 N 0.54 0.82 -1.08 1.61 5.85 -0.95 -2.39 115.31 119.71 3n3s h LEU 668 Ca 0.01 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3n3s h LEU 668 Cb 1.14 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.96 3n3s h LEU 668 CO 0.12 0.69 0.00 0.18 -0.34 0.00 0.00 178.44 179.08 3n3s n LEU 669 N -4.35 1.58 -4.64 2.25 4.77 -0.47 -4.87 117.00 111.27 3n3s n LEU 669 Ca 0.06 -0.74 -0.43 0.00 -0.03 0.00 0.00 56.01 54.87 3n3s n LEU 669 Cb 0.12 -0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.03 3n3s n LEU 669 CO 0.38 0.37 1.08 -0.62 -1.33 0.00 0.00 177.39 177.27 3n3s s ASP 670 N -1.22 6.78 0.00 -1.43 -1.08 -0.90 -4.86 116.67 113.96 3n3s s ASP 670 Ca 0.25 1.24 0.17 0.00 -0.52 0.00 0.00 52.55 53.69 3n3s s ASP 670 Cb 0.13 -2.54 0.85 0.00 -1.46 0.00 0.00 42.92 39.90 3n3s s ASP 670 CO 0.19 -0.98 1.50 0.80 0.52 0.00 0.00 175.17 177.20 3n3s n MET 671 N 7.09 0.23 0.00 4.34 0.00 -1.26 -2.48 117.12 125.03 3n3s n MET 671 Ca 0.14 0.13 0.06 0.00 -0.00 0.00 0.00 57.70 58.03 3n3s n MET 671 Cb 0.46 -1.50 0.28 0.00 0.00 0.00 0.00 33.22 32.46 3n3s n MET 671 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3n3s n GLY 672 N 0.16 -0.73 3.31 -5.12 0.00 -1.26 -4.70 105.19 96.86 3n3s n GLY 672 Ca 0.08 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3n3s n GLY 672 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3n3s s THR 673 N -2.69 2.27 -0.01 2.61 2.01 -1.03 -0.90 115.64 117.90 3n3s s THR 673 Ca 0.09 -1.00 0.03 0.00 0.31 0.00 0.00 61.69 61.12 3n3s s THR 673 Cb 0.08 -1.84 -0.03 0.00 0.01 0.00 0.00 72.50 70.72 3n3s s THR 673 CO 0.18 0.57 -0.06 -0.70 -0.69 0.00 0.00 174.62 173.93 3n3s s GLU 674 N -0.29 2.61 0.01 4.92 2.12 0.58 -4.88 118.70 123.77 3n3s s GLU 674 Ca 0.00 -0.68 0.08 0.00 0.36 0.00 0.00 54.97 54.73 3n3s s GLU 674 Cb -0.13 -2.54 -0.03 0.00 0.26 0.00 0.00 34.13 31.70 3n3s s GLU 674 CO 0.03 0.62 -0.23 -1.58 -0.54 0.00 0.00 175.26 173.55 3n3s s TRP 675 N -0.97 2.41 -0.04 5.30 0.52 -1.26 -0.86 118.94 124.04 3n3s s TRP 675 Ca 0.16 -0.37 -0.07 0.00 0.02 0.00 0.00 56.10 55.84 3n3s s TRP 675 Cb -0.11 -1.47 0.01 0.00 -1.15 0.00 0.00 33.47 30.75 3n3s s TRP 675 CO 0.07 0.09 0.17 0.15 0.02 0.00 0.00 176.95 177.45 3n3s s LYS 676 N -0.97 0.36 0.64 4.98 1.02 -0.67 -4.95 119.74 120.15 3n3s s LYS 676 Ca 0.11 -0.04 -0.18 0.00 0.02 0.00 0.00 55.97 55.88 3n3s s LYS 676 Cb -0.10 0.16 -0.01 0.00 -0.52 0.00 0.00 37.83 37.35 3n3s s LYS 676 CO 0.01 -0.07 1.26 -1.25 -0.92 0.00 0.00 175.35 174.37 3n3s s PRO 677 N -0.61 2.66 0.57 -1.68 0.04 -1.26 -0.87 135.00 133.85 3n3s s PRO 677 Ca -0.07 1.95 -0.15 0.00 0.04 0.00 0.00 61.00 62.77 3n3s s PRO 677 Cb -0.04 -1.87 -0.05 0.00 0.04 0.00 0.00 34.50 32.57 3n3s s PRO 677 CO 0.01 -1.48 1.02 0.95 0.04 0.00 0.00 177.00 177.54 3n3s s THR 678 N -1.52 4.22 0.12 1.26 -4.23 0.18 -4.80 115.64 110.85 3n3s s THR 678 Ca 0.80 1.00 -0.21 0.00 -1.18 0.00 0.00 61.69 62.10 3n3s s THR 678 Cb -0.34 -3.57 -0.07 0.00 1.34 0.00 0.00 72.50 69.86 3n3s s THR 678 CO 0.38 -0.67 1.72 0.00 -0.54 0.00 0.00 174.62 175.51 3n3s h ALA 679 N 0.50 0.09 -0.31 3.99 0.00 -1.94 -3.20 119.26 118.38 3n3s h ALA 679 Ca -0.46 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 3n3s h ALA 679 Cb 1.20 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 3n3s h ALA 679 CO 0.60 -0.49 0.07 0.00 0.00 0.00 0.00 179.25 179.43 3n3s h ALA 680 N 1.13 1.54 -1.82 0.00 0.00 -1.98 -3.42 119.26 114.71 3n3s h ALA 680 Ca 0.07 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 3n3s h ALA 680 Cb 0.10 -0.14 -0.29 0.00 0.00 0.00 0.00 17.79 17.46 3n3s h ALA 680 CO -0.14 0.34 -0.51 0.34 0.00 0.00 0.00 179.25 179.28 3n3s s ASP 681 N -6.76 0.37 0.05 0.00 -1.08 -1.21 -5.03 116.67 103.01 3n3s s ASP 681 Ca -0.07 -0.08 0.06 0.00 -0.52 0.00 0.00 52.55 51.94 3n3s s ASP 681 Cb 0.16 1.09 0.29 0.00 -1.46 0.00 0.00 42.92 43.00 3n3s s ASP 681 CO 0.74 -0.33 1.19 0.00 0.52 0.00 0.00 175.17 177.29 3n3s n ALA 682 N 5.36 1.13 0.91 3.66 0.00 -1.24 -1.85 120.51 128.49 3n3s n ALA 682 Ca -0.02 0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.55 3n3s n ALA 682 Cb 0.50 -1.09 0.09 0.00 0.00 0.00 0.00 19.45 18.94 3n3s n ALA 682 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3n3s n ASP 683 N -1.63 2.77 -4.45 0.00 8.00 -1.26 -4.80 116.55 115.19 3n3s n ASP 683 Ca 0.00 -1.89 -0.32 0.00 0.71 0.00 0.00 54.79 53.30 3n3s n ASP 683 Cb 0.04 0.03 -0.13 0.00 -0.02 0.00 0.00 41.12 41.04 3n3s n ASP 683 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3n3s s VAL 684 N -1.86 2.87 0.04 2.53 1.01 -0.77 -3.43 120.40 120.80 3n3s s VAL 684 Ca 0.25 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.43 3n3s s VAL 684 Cb 0.18 -2.13 -0.02 0.00 0.00 0.00 0.00 36.38 34.41 3n3s s VAL 684 CO 0.29 0.54 -0.19 -0.36 0.00 0.00 0.00 175.10 175.39 3n3s s PHE 685 N -0.75 1.63 -0.13 5.22 0.40 0.14 -0.65 117.98 123.84 3n3s s PHE 685 Ca 0.12 -0.36 -0.01 0.00 -0.60 0.00 0.00 56.93 56.07 3n3s s PHE 685 Cb -0.10 -0.97 -0.02 0.00 0.51 0.00 0.00 43.02 42.43 3n3s s PHE 685 CO 0.01 0.07 -0.08 -1.21 0.70 0.00 0.00 175.22 174.72 3n3s s GLU 686 N -1.12 3.35 -0.31 0.44 2.02 -0.05 -1.07 118.70 121.96 3n3s s GLU 686 Ca 0.06 -0.58 -0.10 0.00 0.02 0.00 0.00 54.97 54.37 3n3s s GLU 686 Cb -0.08 -2.74 -0.01 0.00 0.10 0.00 0.00 34.13 31.40 3n3s s GLU 686 CO 0.01 0.34 0.15 0.20 0.02 0.00 0.00 175.26 175.98 3n3s s GLY 687 N 0.07 1.87 0.07 -1.39 0.00 0.43 -1.66 107.32 106.71 3n3s s GLY 687 Ca -0.02 -1.39 0.07 0.00 0.00 0.00 0.00 44.72 43.38 3n3s s GLY 687 CO 0.03 0.69 -0.16 0.50 0.00 0.00 0.00 173.10 174.17 3n3s s ARG 688 N 1.61 2.05 0.10 2.90 0.52 -0.04 0.18 118.95 126.27 3n3s s ARG 688 Ca 0.05 -1.01 -0.34 0.00 -0.52 0.00 0.00 55.73 53.91 3n3s s ARG 688 Cb -0.17 -2.22 -0.13 0.00 0.52 0.00 0.00 34.95 32.95 3n3s s ARG 688 CO 0.06 0.53 1.69 -3.47 0.02 0.00 0.00 175.30 174.12 3n3s n ASP 689 N 1.22 3.32 0.01 0.23 -0.08 0.14 -0.31 116.55 121.08 3n3s n ASP 689 Ca -0.15 1.04 0.03 0.00 -1.51 0.00 0.00 54.79 54.20 3n3s n ASP 689 Cb 0.52 -1.43 0.40 0.00 2.34 0.00 0.00 41.12 42.95 3n3s n ASP 689 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 3n3s h ARG 690 N 7.06 0.52 0.15 -0.67 2.43 -1.36 0.67 114.38 123.18 3n3s h ARG 690 Ca -0.46 -0.05 -0.32 0.00 -0.81 0.00 0.00 59.98 58.34 3n3s h ARG 690 Cb 1.25 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.70 3n3s h ARG 690 CO 0.91 0.40 -1.65 0.00 -1.51 0.00 0.00 179.97 178.12 3n3s h ALA 691 N 1.69 0.20 0.00 2.80 0.00 -1.89 -3.40 119.26 118.65 3n3s h ALA 691 Ca 0.14 -1.15 -0.02 0.00 0.00 0.00 0.00 54.91 53.87 3n3s h ALA 691 Cb 0.04 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3n3s h ALA 691 CO -0.02 0.98 -1.76 0.25 0.00 0.00 0.00 179.25 178.70 3n3s n THR 692 N -3.72 0.07 -0.52 0.00 -2.24 -1.21 -4.98 114.28 101.69 3n3s n THR 692 Ca -0.26 -0.39 0.00 0.00 -2.27 0.00 0.00 64.05 61.13 3n3s n THR 692 Cb 1.00 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 3n3s n THR 692 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3n3s n GLY 693 N 1.62 1.17 3.75 3.38 0.00 0.22 -5.00 105.19 110.33 3n3s n GLY 693 Ca -0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.56 3n3s n GLY 693 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3n3s s GLU 694 N -0.30 4.24 0.05 1.61 2.12 -1.26 -4.60 118.70 120.56 3n3s s GLU 694 Ca 0.00 2.35 -0.31 0.00 0.36 0.00 0.00 54.97 57.38 3n3s s GLU 694 Cb 0.00 -3.09 -0.07 0.00 0.26 0.00 0.00 34.13 31.23 3n3s s GLU 694 CO 0.00 -0.46 1.42 -1.17 -0.54 0.00 0.00 175.26 174.51 3n3s s LEU 695 N -0.41 4.34 -0.13 2.70 2.96 -1.26 -0.68 118.68 126.19 3n3s s LEU 695 Ca 0.60 2.22 0.01 0.00 -0.22 0.00 0.00 54.13 56.74 3n3s s LEU 695 Cb -0.43 -3.57 -0.09 0.00 0.50 0.00 0.00 46.19 42.61 3n3s s LEU 695 CO 0.44 -0.71 -0.12 0.29 -1.32 0.00 0.00 176.35 174.94 3n3s n LYS 696 N 4.85 0.33 -3.80 1.98 5.02 0.13 -4.92 118.16 121.74 3n3s n LYS 696 Ca 0.13 0.08 -0.10 0.00 -2.02 0.00 0.00 58.31 56.40 3n3s n LYS 696 Cb 0.43 -1.26 -0.05 0.00 -0.02 0.00 0.00 35.03 34.12 3n3s n LYS 696 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3n3s s TRP 697 N -2.26 0.06 0.20 2.13 0.52 -0.75 -5.00 118.94 113.84 3n3s s TRP 697 Ca -0.18 -0.41 0.08 0.00 0.02 0.00 0.00 56.10 55.61 3n3s s TRP 697 Cb 0.05 0.15 -0.05 0.00 -1.15 0.00 0.00 33.47 32.47 3n3s s TRP 697 CO 0.30 -0.74 -0.15 0.95 0.02 0.00 0.00 176.95 177.33 3n3s s THR 698 N -3.88 1.75 0.26 2.01 -4.23 -1.26 -0.42 115.64 109.86 3n3s s THR 698 Ca 0.09 -2.18 -0.18 0.00 -1.18 0.00 0.00 61.69 58.24 3n3s s THR 698 Cb 0.02 -2.02 0.01 0.00 1.34 0.00 0.00 72.50 71.85 3n3s s THR 698 CO -0.06 -0.57 0.61 -0.83 -0.54 0.00 0.00 174.62 173.24 3n3s s GLY 699 N -3.25 0.14 0.54 3.99 0.00 -0.23 -1.45 107.32 107.06 3n3s s GLY 699 Ca 0.22 -0.50 0.06 0.00 0.00 0.00 0.00 44.72 44.50 3n3s s GLY 699 CO 0.07 -0.30 0.47 -0.51 0.00 0.00 0.00 173.10 172.83 3n3s s THR 700 N -3.95 1.80 0.37 0.90 -4.23 -1.26 0.26 115.64 109.52 3n3s s THR 700 Ca 0.15 -1.40 0.06 0.00 -1.18 0.00 0.00 61.69 59.32 3n3s s THR 700 Cb -0.04 -2.20 0.29 0.00 1.34 0.00 0.00 72.50 71.90 3n3s s THR 700 CO 0.07 0.00 1.98 0.03 -0.54 0.00 0.00 174.62 176.15 3n3s h ARG 701 N 0.67 0.72 -0.25 3.99 3.08 -1.96 -1.10 114.38 119.53 3n3s h ARG 701 Ca -0.36 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 59.52 3n3s h ARG 701 Cb 1.30 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.17 3n3s h ARG 701 CO 0.54 0.48 -0.38 0.28 -1.07 0.00 0.00 179.97 179.82 3n3s h VAL 702 N 0.74 1.30 -0.05 2.04 2.07 -1.92 -0.82 116.25 119.61 3n3s h VAL 702 Ca 0.28 -1.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.25 3n3s h VAL 702 Cb 0.18 1.52 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 3n3s h VAL 702 CO -0.09 0.49 -0.03 0.44 0.02 0.00 0.00 177.57 178.40 3n3s h ASP 703 N 0.48 0.11 1.22 0.57 3.32 -1.84 -3.32 116.42 116.96 3n3s h ASP 703 Ca 0.04 -0.44 0.00 0.00 0.02 0.00 0.00 57.03 56.66 3n3s h ASP 703 Cb 0.88 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.40 3n3s h ASP 703 CO 0.08 0.52 0.00 -0.07 -1.72 0.00 0.00 179.24 178.05 3n3s h LEU 704 N -0.30 0.00 -2.03 1.55 4.07 -1.04 -3.07 115.31 114.49 3n3s h LEU 704 Ca 0.01 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.97 3n3s h LEU 704 Cb 0.49 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.23 3n3s h LEU 704 CO 0.01 0.00 -0.01 1.62 -1.08 0.00 0.00 178.44 178.98 3n3s h VAL 705 N 0.00 0.96 0.00 1.22 3.04 -1.24 0.17 116.25 120.39 3n3s h VAL 705 Ca 0.00 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.65 3n3s h VAL 705 Cb 0.61 1.02 0.00 0.00 -2.01 0.00 0.00 31.29 30.91 3n3s h VAL 705 CO 0.00 0.01 0.00 0.49 -1.01 0.00 0.00 177.57 177.06 3n3s n PHE 706 N -4.45 0.79 0.52 3.17 3.01 -1.16 -1.27 117.46 118.07 3n3s n PHE 706 Ca -0.03 0.34 0.07 0.00 1.01 0.00 0.00 57.45 58.84 3n3s n PHE 706 Cb 0.10 -1.04 0.07 0.00 -0.01 0.00 0.00 39.48 38.60 3n3s n PHE 706 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3n3s n GLY 707 N -0.34 0.27 0.87 1.37 0.00 0.01 -3.15 105.19 104.21 3n3s n GLY 707 Ca 0.01 -0.42 -0.04 0.00 0.00 0.00 0.00 46.02 45.57 3n3s n GLY 707 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3n3s n SER 708 N 0.81 0.60 -4.72 1.61 2.88 -0.66 -4.93 113.62 109.21 3n3s n SER 708 Ca 0.09 0.09 -0.42 0.00 -1.33 0.00 0.00 58.87 57.30 3n3s n SER 708 Cb 0.37 -0.22 -0.03 0.00 -0.75 0.00 0.00 64.21 63.59 3n3s n SER 708 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 3n3s s HIS 709 N -2.10 2.91 0.40 0.66 5.04 -0.40 -4.89 115.29 116.91 3n3s s HIS 709 Ca -0.06 0.40 0.12 0.00 -1.54 0.00 0.00 55.06 53.98 3n3s s HIS 709 Cb 0.02 -4.08 0.82 0.00 0.04 0.00 0.00 32.58 29.38 3n3s s HIS 709 CO 0.08 -4.10 1.90 0.66 -2.34 0.00 0.00 174.74 170.94 3n3s h SER 710 N 6.91 0.07 0.08 9.88 4.64 -1.95 0.27 113.55 133.45 3n3s h SER 710 Ca -0.43 -0.02 -0.17 0.00 -0.47 0.00 0.00 61.79 60.70 3n3s h SER 710 Cb 1.20 -0.02 0.02 0.00 -0.31 0.00 0.00 62.40 63.29 3n3s h SER 710 CO 0.95 0.32 -0.72 -0.61 -0.87 0.00 0.00 176.83 175.90 3n3s h GLN 711 N 0.06 0.35 -0.82 4.77 4.15 -1.97 -2.97 115.11 118.68 3n3s h GLN 711 Ca 0.01 -0.48 -0.03 0.00 0.77 0.00 0.00 58.65 58.92 3n3s h GLN 711 Cb 0.48 0.16 -0.04 0.00 0.21 0.00 0.00 27.48 28.29 3n3s h GLN 711 CO 0.03 1.18 0.38 -0.07 -1.93 0.00 0.00 178.83 178.42 3n3s h LEU 712 N -0.26 1.08 -0.98 -2.39 3.38 -1.84 -2.49 115.31 111.82 3n3s h LEU 712 Ca -0.11 -0.14 -0.11 0.00 0.09 0.00 0.00 57.88 57.61 3n3s h LEU 712 Cb 1.50 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.95 3n3s h LEU 712 CO 0.14 0.92 -0.51 -0.09 0.09 0.00 0.00 178.44 178.99 3n3s h ARG 713 N 1.17 0.00 -0.49 1.13 2.43 -0.40 0.15 114.38 118.37 3n3s h ARG 713 Ca 0.28 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.44 3n3s h ARG 713 Cb 0.14 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 3n3s h ARG 713 CO -0.03 0.51 0.28 0.00 -1.51 0.00 0.00 179.97 179.21 3n3s h ALA 714 N 1.49 1.57 -0.01 2.80 0.00 -1.30 -0.46 119.26 123.34 3n3s h ALA 714 Ca -0.01 -0.07 -0.23 0.00 0.00 0.00 0.00 54.91 54.61 3n3s h ALA 714 Cb 0.90 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 18.51 3n3s h ALA 714 CO 0.07 0.37 -0.87 -0.07 0.00 0.00 0.00 179.25 178.74 3n3s h LEU 715 N 0.68 0.79 -1.21 0.00 3.38 -0.87 -2.96 115.31 115.11 3n3s h LEU 715 Ca 0.18 -0.74 0.04 0.00 0.09 0.00 0.00 57.88 57.45 3n3s h LEU 715 Cb 0.00 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 3n3s h LEU 715 CO -0.03 1.42 0.55 0.00 0.09 0.00 0.00 178.44 180.47 3n3s h ALA 716 N 0.39 1.50 -0.78 1.53 0.00 -0.31 -2.06 119.26 119.52 3n3s h ALA 716 Ca -0.11 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3n3s h ALA 716 Cb 1.54 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 3n3s h ALA 716 CO 0.17 0.42 0.47 0.93 0.00 0.00 0.00 179.25 181.24 3n3s h GLU 717 N 1.02 1.06 -0.36 0.00 5.08 -1.01 0.16 114.58 120.55 3n3s h GLU 717 Ca 0.33 -0.10 0.07 0.00 -1.00 0.00 0.00 59.36 58.67 3n3s h GLU 717 Cb 0.05 -0.22 -0.07 0.00 0.50 0.00 0.00 28.75 29.01 3n3s h GLU 717 CO -0.10 0.75 -0.09 0.28 -1.00 0.00 0.00 179.01 178.85 3n3s h VAL 718 N 1.07 0.64 0.00 3.13 2.07 -1.21 -2.52 116.25 119.43 3n3s h VAL 718 Ca 0.28 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.80 3n3s h VAL 718 Cb -0.04 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 3n3s h VAL 718 CO -0.05 0.00 0.00 -1.22 0.02 0.00 0.00 177.57 176.32 3n3s n TYR 719 N -5.28 0.82 -0.23 1.57 4.02 -0.96 -2.92 117.16 114.17 3n3s n TYR 719 Ca 0.01 0.26 0.11 0.00 -0.01 0.00 0.00 57.90 58.27 3n3s n TYR 719 Cb 0.20 -0.92 0.31 0.00 -0.02 0.00 0.00 39.34 38.91 3n3s n TYR 719 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3n3s n GLY 720 N 1.02 2.28 3.87 2.72 0.00 0.53 -4.79 105.19 110.83 3n3s n GLY 720 Ca 0.05 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 45.00 3n3s n GLY 720 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3n3s s SER 721 N -1.00 6.26 0.45 1.61 0.01 -0.98 -4.58 113.70 115.48 3n3s s SER 721 Ca 0.47 1.41 0.23 0.00 1.31 0.00 0.00 55.95 59.37 3n3s s SER 721 Cb 0.24 -2.46 1.01 0.00 0.21 0.00 0.00 66.02 65.02 3n3s s SER 721 CO 0.32 -0.84 1.88 0.00 0.41 0.00 0.00 173.24 175.01 3n3s h ALA 722 N -0.20 1.10 -0.28 1.44 0.00 -1.92 -2.50 119.26 116.90 3n3s h ALA 722 Ca -0.44 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3n3s h ALA 722 Cb 1.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3n3s h ALA 722 CO 0.62 0.29 0.00 -0.40 0.00 0.00 0.00 179.25 179.76 3n3s n ASP 723 N -3.52 1.84 -0.79 0.00 5.75 -1.26 -4.55 116.55 114.02 3n3s n ASP 723 Ca -0.01 -1.87 0.08 0.00 -0.01 0.00 0.00 54.79 52.98 3n3s n ASP 723 Cb 0.39 -0.18 0.15 0.00 -1.03 0.00 0.00 41.12 40.45 3n3s n ASP 723 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3n3s n ALA 724 N 0.47 2.35 -0.02 2.12 0.00 -0.94 -4.66 120.51 119.83 3n3s n ALA 724 Ca 0.14 -0.94 -0.12 0.00 0.00 0.00 0.00 53.44 52.52 3n3s n ALA 724 Cb 0.32 -0.59 -0.06 0.00 0.00 0.00 0.00 19.45 19.12 3n3s n ALA 724 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3n3s h GLN 725 N 3.01 0.15 -0.54 0.00 5.75 -1.80 0.14 115.11 121.82 3n3s h GLN 725 Ca 0.00 -0.03 -0.11 0.00 -0.15 0.00 0.00 58.65 58.36 3n3s h GLN 725 Cb 0.76 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.27 3n3s h GLN 725 CO 0.00 0.31 -0.09 0.93 -2.65 0.00 0.00 178.83 177.33 3n3s h GLU 726 N -0.04 1.01 -0.47 1.69 4.39 -1.97 -1.59 114.58 117.61 3n3s h GLU 726 Ca 0.03 -0.37 -0.00 0.00 0.34 0.00 0.00 59.36 59.36 3n3s h GLU 726 Cb 0.23 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 3n3s h GLU 726 CO -0.00 1.05 0.27 -0.22 -1.16 0.00 0.00 179.01 178.96 3n3s h LYS 727 N 0.89 0.64 -0.27 2.33 3.64 -1.79 -0.56 116.57 121.45 3n3s h LYS 727 Ca 0.14 -0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.52 3n3s h LYS 727 Cb 0.65 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.28 3n3s h LYS 727 CO 0.05 0.48 -0.14 0.35 -2.27 0.00 0.00 179.45 177.92 3n3s h PHE 728 N 0.62 -0.33 -0.46 1.91 3.57 -0.49 0.57 116.94 122.34 3n3s h PHE 728 Ca 0.17 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.67 3n3s h PHE 728 Cb 0.01 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 3n3s h PHE 728 CO -0.03 -0.20 0.18 0.28 -2.23 0.00 0.00 178.31 176.31 3n3s h VAL 729 N -0.10 1.20 -0.07 1.41 2.07 -1.01 0.51 116.25 120.26 3n3s h VAL 729 Ca 0.14 -0.63 -0.19 0.00 0.82 0.00 0.00 66.70 66.84 3n3s h VAL 729 Cb 0.32 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3n3s h VAL 729 CO -0.33 0.23 -0.75 0.03 0.02 0.00 0.00 177.57 176.78 3n3s h ARG 730 N 0.60 0.41 -0.06 1.57 2.47 -0.85 -0.54 114.38 117.97 3n3s h ARG 730 Ca 0.15 -0.34 -0.12 0.00 -1.26 0.00 0.00 59.98 58.41 3n3s h ARG 730 Cb 0.19 0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.57 3n3s h ARG 730 CO -0.01 0.98 -0.52 -0.44 0.56 0.00 0.00 179.97 180.54 3n3s h ASP 731 N 0.27 0.17 -0.20 7.04 3.32 -0.75 -1.92 116.42 124.35 3n3s h ASP 731 Ca -0.03 -0.09 -0.04 0.00 0.02 0.00 0.00 57.03 56.89 3n3s h ASP 731 Cb 1.33 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 3n3s h ASP 731 CO 0.13 0.66 -0.04 0.15 -1.72 0.00 0.00 179.24 178.42 3n3s h PHE 732 N 0.13 0.42 -0.99 4.55 3.57 -0.44 -1.64 116.94 122.53 3n3s h PHE 732 Ca 0.00 -0.09 0.05 0.00 3.53 0.00 0.00 57.97 61.46 3n3s h PHE 732 Cb 0.96 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.53 3n3s h PHE 732 CO 0.01 0.62 0.64 0.28 -2.23 0.00 0.00 178.31 177.63 3n3s h VAL 733 N 0.11 1.14 -0.41 1.41 2.07 -0.99 0.17 116.25 119.74 3n3s h VAL 733 Ca 0.05 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.09 3n3s h VAL 733 Cb 0.47 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.05 3n3s h VAL 733 CO 0.02 0.22 0.01 0.00 0.02 0.00 0.00 177.57 177.84 3n3s h ALA 734 N 1.44 0.55 -0.20 1.67 0.00 -1.17 -1.24 119.26 120.31 3n3s h ALA 734 Ca 0.41 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 3n3s h ALA 734 Cb 0.07 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3n3s h ALA 734 CO -0.14 0.33 -0.57 -0.24 0.00 0.00 0.00 179.25 178.63 3n3s h VAL 735 N 0.55 1.31 -0.22 0.00 3.04 -0.95 -0.76 116.25 119.22 3n3s h VAL 735 Ca 0.12 -1.81 0.05 0.00 -1.01 0.00 0.00 66.70 64.05 3n3s h VAL 735 Cb 0.47 1.76 -0.05 0.00 -2.01 0.00 0.00 31.29 31.46 3n3s h VAL 735 CO 0.02 0.57 -0.11 -0.25 -1.01 0.00 0.00 177.57 176.78 3n3s h TRP 736 N 0.49 -0.27 -0.93 3.17 2.91 -0.84 -0.80 115.95 119.67 3n3s h TRP 736 Ca 0.00 0.02 0.03 0.00 1.13 0.00 0.00 58.89 60.08 3n3s h TRP 736 Cb 1.14 0.16 -0.05 0.00 -0.51 0.00 0.00 29.16 29.89 3n3s h TRP 736 CO 0.05 -0.17 0.61 -0.97 -1.03 0.00 0.00 178.44 176.92 3n3s h ASN 737 N -0.09 1.01 -0.24 2.65 -1.24 -1.10 -0.83 115.58 115.74 3n3s h ASN 737 Ca 0.12 -0.01 0.04 0.00 0.71 0.00 0.00 56.30 57.15 3n3s h ASN 737 Cb 0.27 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 39.05 3n3s h ASN 737 CO -0.28 0.70 0.03 0.50 -1.29 0.00 0.00 177.43 177.09 3n3s h LYS 738 N 1.18 0.11 -0.58 6.67 3.64 -0.61 -1.90 116.57 125.09 3n3s h LYS 738 Ca 0.37 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.67 3n3s h LYS 738 Cb -0.02 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 3n3s h LYS 738 CO -0.11 0.07 0.08 0.28 -2.27 0.00 0.00 179.45 177.50 3n3s h VAL 739 N 0.11 1.26 -0.18 2.00 2.07 -0.65 -2.28 116.25 118.58 3n3s h VAL 739 Ca 0.11 -1.00 0.05 0.00 0.82 0.00 0.00 66.70 66.68 3n3s h VAL 739 Cb 0.12 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3n3s h VAL 739 CO -0.16 0.37 0.21 0.24 0.02 0.00 0.00 177.57 178.24 3n3s h MET 740 N 0.86 0.00 -0.33 1.57 2.86 -0.83 -2.81 114.93 116.24 3n3s h MET 740 Ca 0.17 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 3n3s h MET 740 Cb 0.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 3n3s h MET 740 CO 0.01 0.00 0.00 0.09 1.06 0.00 0.00 176.91 178.07 3n3s n ASN 741 N -3.75 2.89 -0.05 1.22 3.02 -0.74 -4.70 115.26 113.15 3n3s n ASN 741 Ca 0.02 -1.95 0.06 0.00 -0.03 0.00 0.00 54.58 52.68 3n3s n ASN 741 Cb 0.33 -0.22 0.43 0.00 -0.61 0.00 0.00 39.78 39.71 3n3s n ASN 741 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3n3s h LEU 742 N 2.17 0.47 -3.14 3.41 3.38 -1.20 -1.65 115.31 118.76 3n3s h LEU 742 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3n3s h LEU 742 Cb 0.72 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3n3s h LEU 742 CO 0.00 0.32 0.00 -0.90 0.09 0.00 0.00 178.44 177.95 3n3s n ASP 743 N -4.47 4.92 -3.56 -0.43 5.68 -1.26 -4.75 116.55 112.67 3n3s n ASP 743 Ca 0.06 -2.62 -0.41 0.00 -0.50 0.00 0.00 54.79 51.32 3n3s n ASP 743 Cb 0.16 -0.61 -0.01 0.00 -1.14 0.00 0.00 41.12 39.52 3n3s n ASP 743 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3n3s n ARG 744 N 0.84 4.10 0.09 0.11 5.12 -0.62 -4.57 116.66 121.71 3n3s n ARG 744 Ca 0.25 -3.20 0.13 0.00 -1.93 0.00 0.00 57.85 53.09 3n3s n ARG 744 Cb 0.98 -2.77 0.46 0.00 -1.16 0.00 0.00 32.46 29.96 3n3s n ARG 744 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 3n3s n PHE 745 N 2.84 0.69 0.25 -1.55 3.01 -1.26 -1.52 117.46 119.93 3n3s n PHE 745 Ca 0.59 0.22 0.13 0.00 1.01 0.00 0.00 57.45 59.40 3n3s n PHE 745 Cb 0.28 -0.85 0.67 0.00 -0.01 0.00 0.00 39.48 39.57 3n3s n PHE 745 CO 0.00 0.00 0.00 0.38 1.01 0.00 0.00 176.76 178.15 3n3s h ASP 746 N 0.00 0.00 -0.00 4.37 2.03 -1.92 -2.41 116.42 118.49 3n3s h ASP 746 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 3n3s h ASP 746 Cb 0.60 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.10 3n3s h ASP 746 CO 0.00 0.00 -0.45 0.18 -1.03 0.00 0.00 179.24 177.94 3n3s n LEU 747 N -2.44 0.95 0.00 0.15 4.77 -0.57 -5.18 117.00 114.68 3n3s n LEU 747 Ca -0.01 -0.61 0.14 0.00 -0.03 0.00 0.00 56.01 55.50 3n3s n LEU 747 Cb 0.10 0.00 0.82 0.00 -2.33 0.00 0.00 43.42 42.01 3n3s n LEU 747 CO 0.15 0.20 0.99 0.00 -1.33 0.00 0.00 177.39 177.40