#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3drg s LEU 14 N 0.00 2.88 0.17 3.14 1.43 -1.26 -4.52 118.68 120.53 3drg s LEU 14 Ca 0.00 -0.17 -0.30 0.00 -1.03 0.00 0.00 54.13 52.63 3drg s LEU 14 Cb 0.00 -1.62 -0.08 0.00 0.03 0.00 0.00 46.19 44.53 3drg s LEU 14 CO 0.00 0.31 1.16 -0.54 0.23 0.00 0.00 176.35 177.50 3drg s LYS 15 N -0.48 4.53 0.75 1.70 1.02 -0.22 -5.03 119.74 122.00 3drg s LYS 15 Ca 0.07 1.81 -0.11 0.00 0.02 0.00 0.00 55.97 57.75 3drg s LYS 15 Cb -0.12 -3.26 0.04 0.00 -0.52 0.00 0.00 37.83 33.97 3drg s LYS 15 CO 0.02 -0.03 1.08 0.00 -0.92 0.00 0.00 175.35 175.50 3drg s ALA 16 N -0.07 2.49 -0.88 5.17 0.00 -1.26 -4.91 121.76 122.30 3drg s ALA 16 Ca 0.52 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.37 3drg s ALA 16 Cb -0.31 -3.12 0.00 0.00 0.00 0.00 0.00 23.12 19.68 3drg s ALA 16 CO 0.36 -1.46 0.38 0.41 0.00 0.00 0.00 175.76 175.45 3drg n GLY 17 N -2.15 1.05 2.31 0.00 0.00 -1.26 -4.30 105.19 100.83 3drg n GLY 17 Ca 0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.82 3drg n GLY 17 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3drg n ASN 18 N 0.22 6.81 -4.95 1.61 5.15 -1.26 -4.86 115.26 117.98 3drg n ASN 18 Ca 0.00 -2.86 -0.23 0.00 -0.60 0.00 0.00 54.58 50.88 3drg n ASN 18 Cb 0.19 -1.37 -0.02 0.00 -0.53 0.00 0.00 39.78 38.05 3drg n ASN 18 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3drg s PHE 19 N -0.12 3.47 -0.14 1.20 0.08 -1.26 -5.07 117.98 116.14 3drg s PHE 19 Ca 0.62 0.16 -0.29 0.00 0.12 0.00 0.00 56.93 57.54 3drg s PHE 19 Cb 0.29 -1.72 -0.01 0.00 -0.57 0.00 0.00 43.02 41.01 3drg s PHE 19 CO -0.10 0.34 1.19 0.34 -0.10 0.00 0.00 175.22 176.89 3drg s ASP 20 N -3.80 7.03 0.22 1.36 -1.08 -1.26 -4.77 116.67 114.37 3drg s ASP 20 Ca 0.37 1.66 0.09 0.00 -0.52 0.00 0.00 52.55 54.14 3drg s ASP 20 Cb -0.10 -2.55 0.17 0.00 -1.46 0.00 0.00 42.92 38.99 3drg s ASP 20 CO 0.31 -0.67 1.51 1.62 0.52 0.00 0.00 175.17 178.45 3drg h VAL 21 N 5.32 1.53 -3.91 1.11 3.04 -1.96 -2.54 116.25 118.84 3drg h VAL 21 Ca -0.28 -2.54 -0.30 0.00 -1.01 0.00 0.00 66.70 62.58 3drg h VAL 21 Cb 1.11 2.37 -0.26 0.00 -2.01 0.00 0.00 31.29 32.50 3drg h VAL 21 CO 0.94 0.72 -0.74 0.00 -1.01 0.00 0.00 177.57 177.48 3drg s ALA 22 N -3.33 0.43 -0.47 3.17 0.00 -1.26 -1.69 121.76 118.61 3drg s ALA 22 Ca -0.01 -0.37 -0.19 0.00 0.00 0.00 0.00 51.96 51.39 3drg s ALA 22 Cb 0.12 -0.05 0.04 0.00 0.00 0.00 0.00 23.12 23.23 3drg s ALA 22 CO 0.78 0.05 0.58 -0.47 0.00 0.00 0.00 175.76 176.70 3drg s TYR 23 N -0.51 3.09 -0.75 0.00 5.04 -1.15 -5.02 117.35 118.05 3drg s TYR 23 Ca -0.02 -0.40 -0.18 0.00 -2.44 0.00 0.00 57.07 54.03 3drg s TYR 23 Cb -0.04 -3.33 0.14 0.00 0.35 0.00 0.00 41.96 39.07 3drg s TYR 23 CO -0.00 -0.91 0.86 -1.14 -1.34 0.00 0.00 175.55 173.02 3drg s GLN 24 N 2.53 3.35 -0.09 4.97 0.74 -1.26 -4.29 119.66 125.60 3drg s GLN 24 Ca 0.16 -1.70 -0.30 0.00 0.05 0.00 0.00 55.36 53.58 3drg s GLN 24 Cb -0.18 -4.50 -0.02 0.00 1.10 0.00 0.00 33.01 29.41 3drg s GLN 24 CO 0.14 -1.57 1.17 1.21 -0.55 0.00 0.00 175.29 175.69 3drg s ASN 25 N 3.30 7.07 0.41 6.67 3.84 -1.26 -4.93 114.94 130.03 3drg s ASN 25 Ca 0.20 1.72 0.18 0.00 0.21 0.00 0.00 52.86 55.17 3drg s ASN 25 Cb -0.15 -2.55 0.89 0.00 -0.55 0.00 0.00 41.25 38.89 3drg s ASN 25 CO -0.02 -0.60 1.86 1.55 -2.79 0.00 0.00 177.10 177.10 3drg h PRO 26 N 7.53 0.00 -6.88 0.43 0.13 -1.97 -3.45 132.00 127.80 3drg h PRO 26 Ca -0.31 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.30 3drg h PRO 26 Cb 1.14 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.33 3drg h PRO 26 CO 0.90 0.31 0.63 -0.51 -0.23 0.00 0.00 178.00 179.10 3drg s ASP 27 N -6.61 6.80 0.38 1.44 1.01 -1.26 -5.01 116.67 113.42 3drg s ASP 27 Ca -0.02 2.66 -0.24 0.00 0.71 0.00 0.00 52.55 55.66 3drg s ASP 27 Cb 0.13 -2.65 -0.09 0.00 1.01 0.00 0.00 42.92 41.32 3drg s ASP 27 CO 0.68 -0.51 1.02 -1.59 0.21 0.00 0.00 175.17 174.98 3drg s LYS 28 N -1.78 4.27 0.47 8.23 -2.85 -1.26 -4.92 119.74 121.91 3drg s LYS 28 Ca 0.49 1.45 -0.20 0.00 -1.00 0.00 0.00 55.97 56.71 3drg s LYS 28 Cb -0.39 -2.59 -0.09 0.00 -2.06 0.00 0.00 37.83 32.70 3drg s LYS 28 CO 0.52 -0.03 1.00 0.00 0.10 0.00 0.00 175.35 176.94 3drg s ALA 29 N -1.67 2.94 0.19 0.59 0.00 -1.26 -4.39 121.76 118.15 3drg s ALA 29 Ca 0.56 0.48 0.00 0.00 0.00 0.00 0.00 51.96 53.00 3drg s ALA 29 Cb -0.21 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.71 3drg s ALA 29 CO 0.26 -0.18 0.00 0.44 0.00 0.00 0.00 175.76 176.28 3drg n ILE 30 N -0.96 0.00 -3.48 0.00 -5.35 0.65 -4.96 119.36 105.25 3drg n ILE 30 Ca 0.08 0.00 -0.24 0.00 -0.27 0.00 0.00 62.75 62.33 3drg n ILE 30 Cb 0.53 -1.19 -0.13 0.00 -1.74 0.00 0.00 39.64 37.12 3drg n ILE 30 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 3drg s LYS 31 N 2.09 0.24 0.00 6.28 2.20 -1.26 -4.69 119.74 124.60 3drg s LYS 31 Ca 0.00 -0.32 0.00 0.00 -0.36 0.00 0.00 55.97 55.29 3drg s LYS 31 Cb 0.00 -0.98 0.00 0.00 -1.51 0.00 0.00 37.83 35.34 3drg s LYS 31 CO 0.00 -0.99 0.00 0.41 -0.36 0.00 0.00 175.35 174.41 3drg n GLY 32 N 5.28 0.47 0.00 5.54 0.00 -1.26 -5.01 105.19 110.21 3drg n GLY 32 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3drg n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3drg n GLY 33 N 2.39 1.15 3.18 -0.02 0.00 -1.26 -4.23 105.19 106.39 3drg n GLY 33 Ca 0.00 -0.03 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 3drg n GLY 33 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3drg s ASN 34 N 1.00 4.93 0.01 1.61 0.01 -1.26 0.10 114.94 121.34 3drg s ASN 34 Ca 0.00 -1.27 -0.11 0.00 -0.71 0.00 0.00 52.86 50.77 3drg s ASN 34 Cb 0.00 -1.73 -0.05 0.00 0.41 0.00 0.00 41.25 39.88 3drg s ASN 34 CO 0.00 -0.27 0.36 -0.22 -1.51 0.00 0.00 177.10 175.46 3drg s LEU 35 N 1.26 4.41 -0.25 0.60 2.96 -0.56 -4.99 118.68 122.12 3drg s LEU 35 Ca -0.05 0.80 0.02 0.00 -0.22 0.00 0.00 54.13 54.69 3drg s LEU 35 Cb -0.20 -2.65 0.06 0.00 0.50 0.00 0.00 46.19 43.90 3drg s LEU 35 CO -0.01 0.28 -0.10 -0.54 -1.32 0.00 0.00 176.35 174.67 3drg s LYS 36 N -1.40 2.10 0.10 1.98 1.02 -1.26 -1.62 119.74 120.65 3drg s LYS 36 Ca 0.26 -1.25 0.08 0.00 0.02 0.00 0.00 55.97 55.08 3drg s LYS 36 Cb -0.15 -2.81 -0.04 0.00 -0.52 0.00 0.00 37.83 34.32 3drg s LYS 36 CO 0.14 -0.57 -0.16 0.08 -0.92 0.00 0.00 175.35 173.92 3drg s VAL 37 N 1.18 2.96 0.04 3.17 1.01 0.37 -0.32 120.40 128.80 3drg s VAL 37 Ca -0.08 -1.41 0.01 0.00 0.00 0.00 0.00 61.98 60.50 3drg s VAL 37 Cb -0.20 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 33.81 3drg s VAL 37 CO -0.05 0.13 -0.05 0.00 0.00 0.00 0.00 175.10 175.13 3drg s ALA 38 N -1.13 0.39 -0.10 5.51 0.00 -0.30 -1.35 121.76 124.78 3drg s ALA 38 Ca 0.18 -0.79 0.03 0.00 0.00 0.00 0.00 51.96 51.38 3drg s ALA 38 Cb -0.11 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.14 3drg s ALA 38 CO 0.10 -0.15 -0.22 -0.47 0.00 0.00 0.00 175.76 175.03 3drg s TYR 39 N -1.95 2.59 -0.59 0.00 5.04 0.06 -1.59 117.35 120.92 3drg s TYR 39 Ca -0.09 -0.90 -0.27 0.00 -2.44 0.00 0.00 57.07 53.38 3drg s TYR 39 Cb -0.06 -1.72 -0.01 0.00 0.35 0.00 0.00 41.96 40.52 3drg s TYR 39 CO -0.02 -0.33 1.67 -1.14 -1.34 0.00 0.00 175.55 174.39 3drg s GLN 40 N 0.24 2.94 -0.06 4.97 0.74 -0.99 -1.26 119.66 126.24 3drg s GLN 40 Ca -0.14 0.55 -0.03 0.00 0.05 0.00 0.00 55.36 55.79 3drg s GLN 40 Cb -0.17 -4.28 0.04 0.00 1.10 0.00 0.00 33.01 29.70 3drg s GLN 40 CO 0.07 -2.37 0.11 0.45 -0.55 0.00 0.00 175.29 173.00 3drg s SER 41 N 6.42 0.84 0.00 6.67 0.15 -0.30 -4.93 113.70 122.55 3drg s SER 41 Ca 0.61 0.20 0.28 0.00 0.70 0.00 0.00 55.95 57.74 3drg s SER 41 Cb -0.13 0.06 1.31 0.00 -1.71 0.00 0.00 66.02 65.56 3drg s SER 41 CO 0.22 -0.23 1.94 0.47 1.20 0.00 0.00 173.24 176.84 3drg n ASP 42 N 5.18 0.00 -4.75 5.45 8.00 -1.26 -3.85 116.55 125.32 3drg n ASP 42 Ca -0.06 0.20 -0.30 0.00 0.71 0.00 0.00 54.79 55.33 3drg n ASP 42 Cb 0.50 -0.40 -0.07 0.00 -0.02 0.00 0.00 41.12 41.13 3drg n ASP 42 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3drg s SER 43 N -2.79 5.40 0.71 -2.24 0.01 -1.26 -5.01 113.70 108.51 3drg s SER 43 Ca 0.20 -0.06 -0.16 0.00 1.31 0.00 0.00 55.95 57.24 3drg s SER 43 Cb 0.19 -1.41 0.02 0.00 0.21 0.00 0.00 66.02 65.03 3drg s SER 43 CO 0.47 0.17 1.27 -0.81 0.41 0.00 0.00 173.24 174.75 3drg n PRO 44 N 0.45 0.79 -1.80 12.44 -0.04 -1.26 -4.95 135.00 140.64 3drg n PRO 44 Ca -0.09 0.33 -0.41 0.00 -0.04 0.00 0.00 63.50 63.29 3drg n PRO 44 Cb 0.52 -2.50 -0.00 0.00 -0.04 0.00 0.00 33.50 31.47 3drg n PRO 44 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 3drg s MET 45 N -3.63 4.08 -0.70 0.54 -2.45 -0.98 -4.97 119.30 111.18 3drg s MET 45 Ca 0.80 2.57 -0.03 0.00 -1.25 0.00 0.00 55.69 57.77 3drg s MET 45 Cb -0.35 -2.95 0.18 0.00 1.25 0.00 0.00 34.83 32.96 3drg s MET 45 CO 0.44 -0.55 0.54 0.15 1.05 0.00 0.00 175.02 176.64 3drg s LYS 46 N -2.12 2.79 -0.41 4.11 1.02 -1.26 -3.70 119.74 120.18 3drg s LYS 46 Ca 0.53 -2.69 -0.28 0.00 0.02 0.00 0.00 55.97 53.55 3drg s LYS 46 Cb -0.46 -3.83 -0.01 0.00 -0.52 0.00 0.00 37.83 33.00 3drg s LYS 46 CO 0.63 -1.20 1.76 0.00 -0.92 0.00 0.00 175.35 175.61 3drg s ALA 47 N -0.33 2.72 -0.20 5.17 0.00 -1.26 -4.77 121.76 123.09 3drg s ALA 47 Ca 0.19 -0.03 -0.04 0.00 0.00 0.00 0.00 51.96 52.09 3drg s ALA 47 Cb -0.17 -4.08 0.09 0.00 0.00 0.00 0.00 23.12 18.97 3drg s ALA 47 CO -0.06 -2.91 0.22 -1.14 0.00 0.00 0.00 175.76 171.88 3drg s GLN 48 N 5.90 0.19 0.00 0.00 2.00 -1.26 -4.46 119.66 122.02 3drg s GLN 48 Ca 0.74 0.23 0.26 0.00 -2.00 0.00 0.00 55.36 54.59 3drg s GLN 48 Cb -0.19 -1.14 0.68 0.00 0.80 0.00 0.00 33.01 33.17 3drg s GLN 48 CO 0.30 -0.64 1.53 0.91 -0.50 0.00 0.00 175.29 176.89 3drg n TRP 49 N 5.32 0.00 -3.34 1.67 7.02 -0.64 -4.73 117.44 122.74 3drg n TRP 49 Ca -0.05 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.04 3drg n TRP 49 Cb 0.50 -0.22 -0.08 0.00 -2.42 0.00 0.00 31.31 29.09 3drg n TRP 49 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 3drg s LEU 50 N -2.79 4.08 0.40 -0.99 1.43 -1.26 -4.67 118.68 114.87 3drg s LEU 50 Ca 0.17 0.43 0.08 0.00 -1.03 0.00 0.00 54.13 53.78 3drg s LEU 50 Cb 0.18 -2.52 0.84 0.00 0.03 0.00 0.00 46.19 44.73 3drg s LEU 50 CO 0.61 -0.18 2.01 -1.28 0.23 0.00 0.00 176.35 177.74 3drg h SER 51 N 7.87 0.53 0.62 2.29 0.87 -1.85 -2.57 113.55 121.31 3drg h SER 51 Ca -0.32 -0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.16 3drg h SER 51 Cb 1.16 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 62.99 3drg h SER 51 CO 0.69 0.36 -0.34 1.23 -0.53 0.00 0.00 176.83 178.23 3drg h GLY 52 N 0.61 0.00 0.03 5.77 0.00 -1.92 -3.18 103.07 104.39 3drg h GLY 52 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 3drg h GLY 52 CO -0.06 0.00 -1.02 1.04 0.00 0.00 0.00 176.54 176.50 3drg n LEU 53 N -3.71 0.96 -4.72 3.11 4.77 -0.99 -4.45 117.00 111.97 3drg n LEU 53 Ca -0.01 -0.47 -0.36 0.00 -0.03 0.00 0.00 56.01 55.13 3drg n LEU 53 Cb 0.44 -0.01 -0.07 0.00 -2.33 0.00 0.00 43.42 41.45 3drg n LEU 53 CO 0.36 0.24 -0.02 -0.55 -1.33 0.00 0.00 177.39 176.10 3drg s SER 54 N -3.05 6.42 -0.03 -1.43 0.15 -1.09 -4.93 113.70 109.75 3drg s SER 54 Ca 0.08 0.49 0.14 0.00 0.70 0.00 0.00 55.95 57.35 3drg s SER 54 Cb 0.16 -2.18 -0.21 0.00 -1.71 0.00 0.00 66.02 62.08 3drg s SER 54 CO 0.87 0.09 0.29 0.59 1.20 0.00 0.00 173.24 176.27 3drg n ASN 55 N 3.65 1.81 -4.88 5.45 3.02 -1.26 -4.94 115.26 118.11 3drg n ASN 55 Ca -0.12 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.10 3drg n ASN 55 Cb 0.52 1.58 -0.05 0.00 -0.61 0.00 0.00 39.78 41.22 3drg n ASN 55 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 3drg s ASP 56 N -3.67 6.59 0.38 6.41 -4.77 -1.26 -4.99 116.67 115.35 3drg s ASP 56 Ca -0.05 0.75 0.20 0.00 -3.30 0.00 0.00 52.55 50.15 3drg s ASP 56 Cb 0.09 -2.16 0.40 0.00 -1.09 0.00 0.00 42.92 40.15 3drg s ASP 56 CO 0.58 0.08 1.60 0.00 0.70 0.00 0.00 175.17 178.14 3drg h ALA 57 N 3.18 0.87 0.05 2.11 0.00 -1.96 -3.28 119.26 120.23 3drg h ALA 57 Ca -0.48 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.23 3drg h ALA 57 Cb 1.18 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.89 3drg h ALA 57 CO 0.69 0.31 -0.24 1.15 0.00 0.00 0.00 179.25 181.16 3drg h THR 58 N 0.00 0.45 0.00 0.00 2.02 -2.00 -1.82 112.91 111.57 3drg h THR 58 Ca -0.00 0.00 -0.16 0.00 0.77 0.00 0.00 66.41 67.02 3drg h THR 58 Cb 1.08 0.45 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 3drg h THR 58 CO 0.03 0.00 -0.74 0.15 0.37 0.00 0.00 175.52 175.33 3drg h PHE 59 N -0.40 0.00 -0.64 3.16 3.57 -1.86 -2.85 116.94 117.92 3drg h PHE 59 Ca 0.05 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3drg h PHE 59 Cb 0.46 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 3drg h PHE 59 CO -0.26 0.74 0.41 0.00 -2.23 0.00 0.00 178.31 176.98 3drg h ALA 60 N 1.26 1.52 -0.05 2.41 0.00 -1.58 0.73 119.26 123.56 3drg h ALA 60 Ca -0.01 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.64 3drg h ALA 60 Cb 1.48 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 19.02 3drg h ALA 60 CO 0.10 0.43 -0.85 1.15 0.00 0.00 0.00 179.25 180.08 3drg h THR 61 N 0.87 1.37 0.00 0.00 2.02 -1.32 -3.25 112.91 112.60 3drg h THR 61 Ca 0.23 -2.26 -0.00 0.00 0.77 0.00 0.00 66.41 65.15 3drg h THR 61 Cb -0.08 2.25 -0.00 0.00 -1.74 0.00 0.00 68.15 68.57 3drg h THR 61 CO -0.05 0.68 -0.00 0.24 0.37 0.00 0.00 175.52 176.76 3drg h MET 62 N 0.29 0.00 -0.08 6.66 2.07 -1.11 -2.92 114.93 119.85 3drg h MET 62 Ca -0.06 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.57 3drg h MET 62 Cb 1.46 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 31.19 3drg h MET 62 CO 0.15 0.00 0.00 -1.13 1.07 0.00 0.00 176.91 177.01 3drg n SER 63 N -3.10 1.16 -0.05 1.22 3.41 0.17 -4.53 113.62 111.90 3drg n SER 63 Ca 0.02 -1.52 -0.14 0.00 -0.26 0.00 0.00 58.87 56.96 3drg n SER 63 Cb 0.39 -0.05 -0.09 0.00 -0.26 0.00 0.00 64.21 64.20 3drg n SER 63 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3drg h GLY 64 N 5.03 -0.99 1.59 5.00 0.00 -1.62 0.33 103.07 112.42 3drg h GLY 64 Ca 0.00 0.67 0.05 0.00 0.00 0.00 0.00 47.33 48.05 3drg h GLY 64 CO 0.00 -0.18 0.16 -2.55 0.00 0.00 0.00 176.54 173.97 3drg h PRO 65 N -0.51 0.00 -0.01 4.80 0.11 -1.86 -0.50 132.00 134.04 3drg h PRO 65 Ca 0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.17 3drg h PRO 65 Cb 0.65 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.76 3drg h PRO 65 CO -0.49 0.00 -0.05 0.41 -0.21 0.00 0.00 178.00 177.66 3drg n GLY 66 N -1.44 -0.71 0.00 -0.55 0.00 -0.77 -0.91 105.19 100.81 3drg n GLY 66 Ca 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.74 3drg n GLY 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3drg n GLY 67 N 1.17 0.93 2.59 -0.02 0.00 -0.21 -1.69 105.19 107.95 3drg n GLY 67 Ca 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 3drg n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3drg n GLY 68 N 0.00 -0.19 3.47 -0.02 0.00 0.04 -0.77 105.19 107.71 3drg n GLY 68 Ca 0.00 0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 3drg n GLY 68 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3drg n GLN 69 N -2.89 -6.51 -3.18 1.61 6.02 -1.25 -3.50 117.38 107.67 3drg n GLN 69 Ca -0.14 0.80 -0.15 0.00 -0.01 0.00 0.00 57.00 57.50 3drg n GLN 69 Cb 0.60 -5.76 0.06 0.00 1.02 0.00 0.00 30.24 26.16 3drg n GLN 69 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3drg n ASP 70 N -2.81 -3.70 -4.60 1.08 8.00 -1.13 -4.46 116.55 108.92 3drg n ASP 70 Ca -0.02 -0.42 -0.39 0.00 0.71 0.00 0.00 54.79 54.67 3drg n ASP 70 Cb 0.57 -3.86 0.04 0.00 -0.02 0.00 0.00 41.12 37.85 3drg n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3drg n GLY 71 N -1.37 -0.36 0.31 0.44 0.00 0.05 -3.46 105.19 100.81 3drg n GLY 71 Ca -0.10 -0.05 -0.17 0.00 0.00 0.00 0.00 46.02 45.71 3drg n GLY 71 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3drg n LEU 72 N -0.24 1.89 -4.89 0.99 4.77 -0.58 -4.82 117.00 114.11 3drg n LEU 72 Ca 0.12 0.11 -0.33 0.00 -0.03 0.00 0.00 56.01 55.88 3drg n LEU 72 Cb 0.45 -0.55 -0.05 0.00 -2.33 0.00 0.00 43.42 40.93 3drg n LEU 72 CO 0.52 0.52 -0.04 -0.36 -1.33 0.00 0.00 177.39 176.70 3drg s PHE 73 N -2.33 3.53 0.50 -1.77 0.08 -1.26 -1.16 117.98 115.57 3drg s PHE 73 Ca -0.24 0.52 -0.04 0.00 0.12 0.00 0.00 56.93 57.29 3drg s PHE 73 Cb 0.08 -1.96 -0.01 0.00 -0.57 0.00 0.00 43.02 40.56 3drg s PHE 73 CO 0.34 0.55 0.78 -0.06 -0.10 0.00 0.00 175.22 176.73 3drg s PHE 74 N -1.46 3.36 -0.09 0.36 0.40 -1.25 -4.93 117.98 114.37 3drg s PHE 74 Ca 0.33 0.57 -0.11 0.00 -0.60 0.00 0.00 56.93 57.13 3drg s PHE 74 Cb -0.13 -2.44 0.03 0.00 0.51 0.00 0.00 43.02 40.99 3drg s PHE 74 CO 0.21 -0.47 0.28 0.99 0.70 0.00 0.00 175.22 176.93 3drg s THR 75 N -2.76 0.01 0.68 0.64 2.01 -1.26 -1.50 115.64 113.46 3drg s THR 75 Ca 0.49 -0.12 -0.05 0.00 0.31 0.00 0.00 61.69 62.33 3drg s THR 75 Cb -0.10 -0.44 0.06 0.00 0.01 0.00 0.00 72.50 72.03 3drg s THR 75 CO 0.43 -0.06 0.97 1.51 -0.69 0.00 0.00 174.62 176.77 3drg s ASP 76 N -0.17 4.84 0.36 3.53 1.47 -0.63 -4.60 116.67 121.47 3drg s ASP 76 Ca -0.03 0.30 0.20 0.00 1.18 0.00 0.00 52.55 54.19 3drg s ASP 76 Cb -0.03 -0.97 1.08 0.00 -0.34 0.00 0.00 42.92 42.67 3drg s ASP 76 CO 0.01 -1.54 1.57 0.77 0.68 0.00 0.00 175.17 176.65 3drg h SER 77 N -0.47 0.00 -0.59 2.11 4.64 -1.85 0.30 113.55 117.69 3drg h SER 77 Ca -0.43 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.82 3drg h SER 77 Cb 1.31 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.36 3drg h SER 77 CO 0.57 0.00 0.08 0.61 -0.87 0.00 0.00 176.83 177.22 3drg n GLY 78 N -1.27 3.08 2.95 -0.77 0.00 -1.26 -4.66 105.19 103.26 3drg n GLY 78 Ca -0.01 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.13 3drg n GLY 78 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3drg n PHE 79 N 0.37 0.00 -2.85 1.61 3.72 0.11 -4.91 117.46 115.50 3drg n PHE 79 Ca 0.30 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.32 3drg n PHE 79 Cb 1.20 -1.67 -0.06 0.00 -0.94 0.00 0.00 39.48 38.01 3drg n PHE 79 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3drg s LYS 80 N -1.63 4.62 0.27 -1.08 1.02 -1.25 0.41 119.74 122.10 3drg s LYS 80 Ca 0.00 1.28 -0.30 0.00 0.02 0.00 0.00 55.97 56.98 3drg s LYS 80 Cb 0.00 -3.05 -0.11 0.00 -0.52 0.00 0.00 37.83 34.15 3drg s LYS 80 CO 0.00 0.43 1.50 -0.06 -0.92 0.00 0.00 175.35 176.30 3drg s PHE 81 N -1.38 2.90 0.25 3.18 0.08 -0.19 -1.61 117.98 121.22 3drg s PHE 81 Ca 0.44 0.94 0.04 0.00 0.12 0.00 0.00 56.93 58.46 3drg s PHE 81 Cb -0.22 -3.92 -0.05 0.00 -0.57 0.00 0.00 43.02 38.26 3drg s PHE 81 CO 0.26 -3.03 -0.00 0.96 -0.10 0.00 0.00 175.22 173.31 3drg s ILE 82 N -0.06 1.13 0.53 0.64 -4.36 -0.56 -4.86 121.20 113.65 3drg s ILE 82 Ca 0.60 -2.04 -0.07 0.00 -0.26 0.00 0.00 60.65 58.88 3drg s ILE 82 Cb -0.44 -2.42 -0.04 0.00 1.25 0.00 0.00 42.46 40.80 3drg s ILE 82 CO 0.46 -0.27 0.87 -0.54 0.24 0.00 0.00 174.94 175.70 3drg s LYS 83 N -3.85 3.56 0.00 0.37 1.02 -1.26 -3.90 119.74 115.68 3drg s LYS 83 Ca 0.30 0.40 0.00 0.00 0.02 0.00 0.00 55.97 56.69 3drg s LYS 83 Cb 0.06 -2.27 0.00 0.00 -0.52 0.00 0.00 37.83 35.10 3drg s LYS 83 CO 0.10 -0.34 0.00 0.41 -0.92 0.00 0.00 175.35 174.61 3drg n GLY 84 N -2.43 1.37 0.00 -3.33 0.00 -1.26 -4.90 105.19 94.63 3drg n GLY 84 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3drg n GLY 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3drg n GLY 85 N -0.47 -0.63 0.39 -0.02 0.00 -1.26 -4.93 105.19 98.27 3drg n GLY 85 Ca 0.00 -1.72 0.20 0.00 0.00 0.00 0.00 46.02 44.50 3drg n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3drg h ALA 86 N -1.72 2.49 -2.55 4.61 0.00 -1.68 -3.43 119.26 116.99 3drg h ALA 86 Ca 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3drg h ALA 86 Cb 0.00 0.03 -0.13 0.00 0.00 0.00 0.00 17.79 17.69 3drg h ALA 86 CO 0.00 -0.66 -0.37 0.00 0.00 0.00 0.00 179.25 178.22 3drg s ALA 87 N -5.05 -0.06 0.09 0.00 0.00 -0.31 -1.79 121.76 114.63 3drg s ALA 87 Ca -0.05 -0.78 0.09 0.00 0.00 0.00 0.00 51.96 51.22 3drg s ALA 87 Cb 0.20 0.64 -0.03 0.00 0.00 0.00 0.00 23.12 23.93 3drg s ALA 87 CO 0.74 -0.56 -0.24 -0.51 0.00 0.00 0.00 175.76 175.19 3drg s ASP 88 N -2.91 2.91 -0.00 0.00 1.01 0.13 -4.33 116.67 113.48 3drg s ASP 88 Ca 0.11 -0.66 0.07 0.00 0.71 0.00 0.00 52.55 52.78 3drg s ASP 88 Cb 0.04 -0.21 -0.02 0.00 1.01 0.00 0.00 42.92 43.75 3drg s ASP 88 CO -0.06 0.16 -0.21 0.54 0.21 0.00 0.00 175.17 175.81 3drg s VAL 89 N -0.98 1.68 -0.01 -1.27 0.11 -1.26 -0.81 120.40 117.85 3drg s VAL 89 Ca 0.10 -0.96 0.02 0.00 -2.93 0.00 0.00 61.98 58.21 3drg s VAL 89 Cb -0.10 -1.40 0.00 0.00 -1.53 0.00 0.00 36.38 33.35 3drg s VAL 89 CO 0.04 0.42 -0.06 0.00 -3.33 0.00 0.00 175.10 172.18 3drg s ALA 90 N -0.55 0.54 0.06 1.54 0.00 -0.68 -4.99 121.76 117.68 3drg s ALA 90 Ca 0.08 -0.21 0.03 0.00 0.00 0.00 0.00 51.96 51.87 3drg s ALA 90 Cb -0.08 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 3drg s ALA 90 CO -0.00 0.10 0.03 -0.51 0.00 0.00 0.00 175.76 175.37 3drg s LEU 91 N 0.09 3.62 -0.21 0.00 1.43 -1.26 -1.34 118.68 121.00 3drg s LEU 91 Ca -0.01 -0.06 -0.01 0.00 -1.03 0.00 0.00 54.13 53.02 3drg s LEU 91 Cb -0.05 -2.26 0.06 0.00 0.03 0.00 0.00 46.19 43.96 3drg s LEU 91 CO -0.00 0.20 -0.01 -0.62 0.23 0.00 0.00 176.35 176.15 3drg s ASP 92 N -2.15 3.35 0.13 2.29 2.15 -0.83 -5.03 116.67 116.58 3drg s ASP 92 Ca 0.26 -0.98 -0.18 0.00 0.43 0.00 0.00 52.55 52.07 3drg s ASP 92 Cb -0.12 -0.88 -0.03 0.00 -0.30 0.00 0.00 42.92 41.59 3drg s ASP 92 CO 0.18 -0.27 1.75 0.11 -0.17 0.00 0.00 175.17 176.77 3drg h LYS 93 N 8.10 0.40 0.00 4.34 1.57 -1.98 -1.48 116.57 127.53 3drg h LYS 93 Ca -0.17 -0.04 -0.17 0.00 -1.87 0.00 0.00 60.65 58.40 3drg h LYS 93 Cb 1.10 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.30 3drg h LYS 93 CO 0.37 0.32 -0.80 0.93 -0.57 0.00 0.00 179.45 179.70 3drg h GLU 94 N 0.38 0.00 0.00 3.15 4.39 -1.98 -3.09 114.58 117.43 3drg h GLU 94 Ca 0.11 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.80 3drg h GLU 94 Cb 0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 3drg h GLU 94 CO -0.02 0.80 -0.74 0.66 -1.16 0.00 0.00 179.01 178.56 3drg h SER 95 N 0.00 0.00 -4.99 1.42 4.64 -2.01 -3.49 113.55 109.13 3drg h SER 95 Ca -0.01 -0.15 -0.27 0.00 -0.47 0.00 0.00 61.79 60.90 3drg h SER 95 Cb 1.42 0.00 0.14 0.00 -0.31 0.00 0.00 62.40 63.65 3drg h SER 95 CO 0.10 0.07 -0.64 0.29 -0.87 0.00 0.00 176.83 175.79 3drg n LYS 96 N -2.32 -5.25 -4.13 4.77 5.02 -0.57 -4.81 118.16 110.88 3drg n LYS 96 Ca 0.02 0.70 -0.16 0.00 -2.02 0.00 0.00 58.31 56.85 3drg n LYS 96 Cb 0.48 -5.25 -0.12 0.00 -0.02 0.00 0.00 35.03 30.12 3drg n LYS 96 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3drg s THR 97 N -3.30 0.85 -0.08 -0.18 -4.23 -1.11 -0.88 115.64 106.71 3drg s THR 97 Ca 0.02 -1.26 0.04 0.00 -1.18 0.00 0.00 61.69 59.31 3drg s THR 97 Cb -0.00 -0.92 -0.01 0.00 1.34 0.00 0.00 72.50 72.91 3drg s THR 97 CO 0.60 -0.34 -0.20 0.00 -0.54 0.00 0.00 174.62 174.14 3drg s ALA 98 N -1.48 2.38 -0.21 3.99 0.00 -0.35 -1.96 121.76 124.12 3drg s ALA 98 Ca -0.04 -0.99 -0.02 0.00 0.00 0.00 0.00 51.96 50.91 3drg s ALA 98 Cb -0.09 -0.88 0.01 0.00 0.00 0.00 0.00 23.12 22.16 3drg s ALA 98 CO 0.01 0.39 -0.10 0.99 0.00 0.00 0.00 175.76 177.05 3drg s THR 99 N -0.09 2.79 -0.20 0.00 2.01 -0.45 -0.40 115.64 119.30 3drg s THR 99 Ca -0.04 -0.77 -0.06 0.00 0.31 0.00 0.00 61.69 61.13 3drg s THR 99 Cb -0.14 -2.28 -0.03 0.00 0.01 0.00 0.00 72.50 70.06 3drg s THR 99 CO 0.04 0.42 0.02 -0.63 -0.69 0.00 0.00 174.62 173.78 3drg s ILE 100 N 1.38 4.14 -0.23 1.82 1.09 0.04 -1.68 121.20 127.75 3drg s ILE 100 Ca 0.04 -0.25 -0.00 0.00 -1.10 0.00 0.00 60.65 59.34 3drg s ILE 100 Cb -0.14 -2.88 0.03 0.00 -1.06 0.00 0.00 42.46 38.41 3drg s ILE 100 CO -0.07 0.42 -0.10 -0.89 -0.10 0.00 0.00 174.94 174.20 3drg s THR 101 N 0.98 2.56 0.45 2.92 2.01 0.01 -1.17 115.64 123.40 3drg s THR 101 Ca 0.02 -1.11 -0.20 0.00 0.31 0.00 0.00 61.69 60.71 3drg s THR 101 Cb -0.14 -2.29 -0.10 0.00 0.01 0.00 0.00 72.50 69.98 3drg s THR 101 CO 0.02 0.24 0.96 -0.76 -0.69 0.00 0.00 174.62 174.40 3drg s LEU 102 N 1.28 3.88 0.49 4.42 1.43 -0.08 -0.69 118.68 129.41 3drg s LEU 102 Ca -0.00 1.70 -0.23 0.00 -1.03 0.00 0.00 54.13 54.57 3drg s LEU 102 Cb -0.16 -4.54 -0.06 0.00 0.03 0.00 0.00 46.19 41.45 3drg s LEU 102 CO -0.07 -0.44 1.33 -0.13 0.23 0.00 0.00 176.35 177.27 3drg s ARG 103 N -3.31 3.46 0.46 1.70 0.52 -0.74 -4.90 118.95 116.14 3drg s ARG 103 Ca 0.62 2.17 0.13 0.00 -0.52 0.00 0.00 55.73 58.13 3drg s ARG 103 Cb -0.10 -2.42 1.03 0.00 0.52 0.00 0.00 34.95 33.98 3drg s ARG 103 CO 0.16 -0.91 2.03 0.87 0.02 0.00 0.00 175.30 177.48 3drg h LYS 104 N 1.89 0.09 -0.48 3.54 1.57 -1.96 -2.61 116.57 118.61 3drg h LYS 104 Ca -0.50 -0.01 -0.17 0.00 -1.87 0.00 0.00 60.65 58.10 3drg h LYS 104 Cb 1.28 -0.02 -0.10 0.00 0.08 0.00 0.00 32.23 33.47 3drg h LYS 104 CO 0.59 0.18 0.10 -0.40 -0.57 0.00 0.00 179.45 179.35 3drg n ASP 105 N -4.39 3.59 -4.66 0.86 5.75 -1.26 -4.97 116.55 111.47 3drg n ASP 105 Ca -0.02 -3.40 -0.43 0.00 -0.01 0.00 0.00 54.79 50.94 3drg n ASP 105 Cb 0.19 -0.65 -0.02 0.00 -1.03 0.00 0.00 41.12 39.60 3drg n ASP 105 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3drg s LEU 106 N -3.07 4.18 0.13 -2.12 2.96 -0.99 -4.55 118.68 115.22 3drg s LEU 106 Ca 0.48 1.69 0.05 0.00 -0.22 0.00 0.00 54.13 56.12 3drg s LEU 106 Cb 0.40 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.52 3drg s LEU 106 CO 0.07 -0.76 -0.12 -0.54 -1.32 0.00 0.00 176.35 173.68 3drg s LYS 107 N 3.50 1.00 0.87 1.98 1.02 -1.26 -1.84 119.74 125.01 3drg s LYS 107 Ca 0.55 -1.29 -0.13 0.00 0.02 0.00 0.00 55.97 55.11 3drg s LYS 107 Cb -0.22 -0.74 0.12 0.00 -0.52 0.00 0.00 37.83 36.48 3drg s LYS 107 CO 0.14 0.12 1.22 -1.58 -0.92 0.00 0.00 175.35 174.33 3drg s TRP 108 N -2.57 2.46 -1.68 3.18 0.52 -0.52 -4.56 118.94 115.78 3drg s TRP 108 Ca 0.11 0.63 0.20 0.00 0.02 0.00 0.00 56.10 57.05 3drg s TRP 108 Cb -0.02 -3.67 1.08 0.00 -1.15 0.00 0.00 33.47 29.71 3drg s TRP 108 CO 0.02 -2.14 1.60 -1.13 0.02 0.00 0.00 176.95 175.33 3drg n SER 109 N -3.52 0.00 -0.68 2.95 3.41 -0.26 -2.31 113.62 113.21 3drg n SER 109 Ca 0.10 -0.27 0.08 0.00 -0.26 0.00 0.00 58.87 58.52 3drg n SER 109 Cb 0.60 -0.16 0.07 0.00 -0.26 0.00 0.00 64.21 64.46 3drg n SER 109 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3drg n ASP 110 N -1.16 2.41 0.00 4.04 5.75 -1.26 -4.89 116.55 121.43 3drg n ASP 110 Ca 0.12 -1.70 0.00 0.00 -0.01 0.00 0.00 54.79 53.19 3drg n ASP 110 Cb 0.12 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.21 3drg n ASP 110 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3drg n GLY 111 N 0.95 3.28 3.73 6.12 0.00 -0.98 -5.07 105.19 113.22 3drg n GLY 111 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.80 3drg n GLY 111 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3drg s SER 112 N -1.11 3.92 0.21 1.61 1.04 -1.26 -4.74 113.70 113.36 3drg s SER 112 Ca 0.00 2.04 -0.25 0.00 0.48 0.00 0.00 55.95 58.22 3drg s SER 112 Cb 0.00 -2.55 -0.08 0.00 0.10 0.00 0.00 66.02 63.49 3drg s SER 112 CO 0.00 -2.43 0.80 -0.70 0.98 0.00 0.00 173.24 171.89 3drg s GLU 113 N -4.63 4.52 -0.27 4.02 2.56 -1.26 -1.43 118.70 122.21 3drg s GLU 113 Ca 0.65 1.14 -0.23 0.00 0.00 0.00 0.00 54.97 56.54 3drg s GLU 113 Cb -0.21 -3.12 -0.01 0.00 2.00 0.00 0.00 34.13 32.80 3drg s GLU 113 CO 0.54 0.49 0.75 0.08 -0.56 0.00 0.00 175.26 176.56 3drg s VAL 114 N -1.30 4.87 0.50 3.70 1.01 -0.77 -4.79 120.40 123.62 3drg s VAL 114 Ca 0.40 1.28 0.04 0.00 0.00 0.00 0.00 61.98 63.70 3drg s VAL 114 Cb -0.21 -4.07 -0.01 0.00 0.00 0.00 0.00 36.38 32.09 3drg s VAL 114 CO 0.25 -0.11 0.15 0.42 0.00 0.00 0.00 175.10 175.81 3drg s THR 115 N 2.78 1.55 0.41 3.92 -4.23 -1.26 -4.88 115.64 113.93 3drg s THR 115 Ca 0.31 -1.80 0.08 0.00 -1.18 0.00 0.00 61.69 59.10 3drg s THR 115 Cb -0.15 -2.35 0.25 0.00 1.34 0.00 0.00 72.50 71.60 3drg s THR 115 CO 0.10 0.00 2.05 0.00 -0.54 0.00 0.00 174.62 176.22 3drg h ALA 116 N 1.21 1.70 -0.31 3.99 0.00 -0.83 -2.18 119.26 122.84 3drg h ALA 116 Ca -0.42 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 3drg h ALA 116 Cb 1.30 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3drg h ALA 116 CO 0.69 0.26 0.01 -0.22 0.00 0.00 0.00 179.25 179.99 3drg h LYS 117 N 0.48 0.47 -0.77 0.00 1.63 -1.81 -2.70 116.57 113.87 3drg h LYS 117 Ca 0.13 -0.09 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 3drg h LYS 117 Cb -0.00 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 31.52 3drg h LYS 117 CO -0.02 0.50 0.43 -0.44 -3.45 0.00 0.00 179.45 176.47 3drg h ASP 118 N 0.46 0.95 -0.22 4.20 3.32 -1.61 0.36 116.42 123.88 3drg h ASP 118 Ca 0.10 -0.07 -0.19 0.00 0.02 0.00 0.00 57.03 56.89 3drg h ASP 118 Cb 0.29 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3drg h ASP 118 CO 0.01 0.75 -0.59 0.22 -1.72 0.00 0.00 179.24 177.91 3drg h TYR 119 N 1.07 1.01 -0.47 4.55 3.20 -1.54 -1.79 116.97 123.00 3drg h TYR 119 Ca 0.27 -0.40 -0.08 0.00 3.14 0.00 0.00 58.73 61.67 3drg h TYR 119 Cb 0.01 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.08 3drg h TYR 119 CO 0.01 1.21 -0.02 1.49 -1.64 0.00 0.00 178.16 179.21 3drg h GLU 120 N 0.53 0.80 -0.04 1.82 4.22 -1.25 -2.91 114.58 117.74 3drg h GLU 120 Ca -0.01 -0.23 -0.01 0.00 0.08 0.00 0.00 59.36 59.19 3drg h GLU 120 Cb 1.21 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.37 3drg h GLU 120 CO 0.13 0.82 -0.01 0.35 -2.18 0.00 0.00 179.01 178.11 3drg h PHE 121 N 0.74 0.05 -0.88 0.92 3.57 -0.92 -0.80 116.94 119.62 3drg h PHE 121 Ca 0.14 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.64 3drg h PHE 121 Cb 0.48 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.16 3drg h PHE 121 CO 0.03 0.07 0.56 1.15 -2.23 0.00 0.00 178.31 177.89 3drg h THR 122 N 0.06 1.23 -0.24 4.41 2.02 -1.50 -1.34 112.91 117.55 3drg h THR 122 Ca 0.01 -0.46 -0.07 0.00 0.77 0.00 0.00 66.41 66.66 3drg h THR 122 Cb 0.07 -0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 66.43 3drg h THR 122 CO 0.00 0.23 -0.16 1.88 0.37 0.00 0.00 175.52 177.84 3drg h TYR 123 N 1.20 0.44 -0.13 3.16 0.05 -1.23 -2.73 116.97 117.73 3drg h TYR 123 Ca 0.32 -0.07 -0.14 0.00 0.05 0.00 0.00 58.73 58.89 3drg h TYR 123 Cb -0.10 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.51 3drg h TYR 123 CO -0.01 0.55 -0.51 0.93 -1.05 0.00 0.00 178.16 178.08 3drg h GLU 124 N 0.37 0.36 0.00 4.88 5.08 -1.06 -0.16 114.58 124.06 3drg h GLU 124 Ca 0.07 -0.21 0.00 0.00 -1.00 0.00 0.00 59.36 58.22 3drg h GLU 124 Cb 0.51 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3drg h GLU 124 CO 0.03 0.79 0.00 1.79 -1.00 0.00 0.00 179.01 180.62 3drg h THR 125 N 0.29 0.00 0.00 1.13 1.35 -0.93 -1.46 112.91 113.28 3drg h THR 125 Ca 0.01 -0.25 -0.28 0.00 -0.55 0.00 0.00 66.41 65.34 3drg h THR 125 Cb 0.99 1.08 -0.05 0.00 -1.73 0.00 0.00 68.15 68.45 3drg h THR 125 CO 0.09 0.00 -2.01 -0.38 -0.25 0.00 0.00 175.52 172.97 3drg n ILE 126 N -2.71 1.00 -0.05 6.82 5.41 -1.17 -4.38 119.36 124.28 3drg n ILE 126 Ca -0.00 -0.32 -0.15 0.00 1.00 0.00 0.00 62.75 63.28 3drg n ILE 126 Cb 0.19 -1.41 -0.07 0.00 -0.71 0.00 0.00 39.64 37.64 3drg n ILE 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3drg h ALA 127 N -0.31 0.23 -1.82 -1.39 0.00 -1.03 -3.43 119.26 111.52 3drg h ALA 127 Ca -0.43 -0.43 -0.57 0.00 0.00 0.00 0.00 54.91 53.49 3drg h ALA 127 Cb 1.51 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.22 3drg h ALA 127 CO -0.16 0.29 1.10 1.21 0.00 0.00 0.00 179.25 181.68 3drg s ASN 128 N -6.46 6.29 0.25 0.00 2.47 -0.55 -4.39 114.94 112.55 3drg s ASN 128 Ca -0.13 0.96 0.20 0.00 0.42 0.00 0.00 52.86 54.30 3drg s ASN 128 Cb 0.06 -2.54 0.96 0.00 -1.45 0.00 0.00 41.25 38.28 3drg s ASN 128 CO 0.80 -1.45 1.61 -0.81 -3.72 0.00 0.00 177.10 173.52 3drg n PRO 129 N 8.07 0.14 0.21 0.43 -0.04 -1.26 -2.39 135.00 140.16 3drg n PRO 129 Ca 0.18 0.53 0.15 0.00 -0.04 0.00 0.00 63.50 64.31 3drg n PRO 129 Cb 0.48 -1.86 0.64 0.00 -0.04 0.00 0.00 33.50 32.71 3drg n PRO 129 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3drg h ALA 130 N 2.12 1.00 0.00 0.55 0.00 -1.93 -2.02 119.26 118.98 3drg h ALA 130 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3drg h ALA 130 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 3drg h ALA 130 CO 0.00 0.00 -0.44 1.88 0.00 0.00 0.00 179.25 180.69 3drg h TYR 131 N 0.00 0.00 -2.18 0.00 0.05 -1.65 -2.56 116.97 110.63 3drg h TYR 131 Ca 0.00 0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.67 3drg h TYR 131 Cb 0.37 0.00 0.03 0.00 1.01 0.00 0.00 36.73 38.15 3drg h TYR 131 CO 0.00 0.00 -0.19 0.41 -1.05 0.00 0.00 178.16 177.33 3drg n GLY 132 N 1.17 0.49 3.79 3.88 0.00 -0.76 -4.76 105.19 109.00 3drg n GLY 132 Ca 0.02 -0.44 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 3drg n GLY 132 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3drg s SER 133 N -3.05 7.10 0.00 1.61 0.15 -1.26 -4.96 113.70 113.28 3drg s SER 133 Ca 0.15 1.82 0.21 0.00 0.70 0.00 0.00 55.95 58.83 3drg s SER 133 Cb -0.06 -2.57 0.53 0.00 -1.71 0.00 0.00 66.02 62.21 3drg s SER 133 CO 0.18 -0.24 1.45 0.47 1.20 0.00 0.00 173.24 176.29 3drg n ASP 134 N 0.03 3.65 -1.78 5.45 8.00 -1.26 -4.59 116.55 126.04 3drg n ASP 134 Ca 0.04 -1.98 0.08 0.00 0.71 0.00 0.00 54.79 53.64 3drg n ASP 134 Cb 0.51 -0.38 0.39 0.00 -0.02 0.00 0.00 41.12 41.63 3drg n ASP 134 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3drg n ARG 135 N 1.45 4.49 -2.34 -1.24 1.74 -1.26 -4.29 116.66 115.20 3drg n ARG 135 Ca 0.21 -3.08 -0.40 0.00 -0.77 0.00 0.00 57.85 53.81 3drg n ARG 135 Cb 0.59 -2.14 -0.03 0.00 -1.02 0.00 0.00 32.46 29.85 3drg n ARG 135 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 3drg s TRP 136 N -2.46 3.37 0.09 -1.55 -0.11 -1.26 -5.02 118.94 112.00 3drg s TRP 136 Ca 0.54 1.59 -0.12 0.00 1.22 0.00 0.00 56.10 59.33 3drg s TRP 136 Cb 0.39 -3.43 0.01 0.00 -1.50 0.00 0.00 33.47 28.94 3drg s TRP 136 CO 0.19 -1.04 0.27 -0.08 -4.62 0.00 0.00 176.95 171.67 3drg s THR 137 N -1.16 0.11 0.54 5.86 -1.32 -1.26 -3.93 115.64 114.48 3drg s THR 137 Ca 0.46 -0.89 0.27 0.00 -1.21 0.00 0.00 61.69 60.32 3drg s THR 137 Cb -0.35 -1.18 0.32 0.00 -1.51 0.00 0.00 72.50 69.78 3drg s THR 137 CO 0.45 -0.49 2.20 0.44 -2.21 0.00 0.00 174.62 175.01 3drg h ASP 138 N 2.77 0.00 -0.50 8.08 3.32 -1.88 -2.46 116.42 125.76 3drg h ASP 138 Ca -0.33 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.71 3drg h ASP 138 Cb 1.21 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.74 3drg h ASP 138 CO 0.51 0.03 0.27 0.28 -1.72 0.00 0.00 179.24 178.61 3drg h SER 139 N 0.00 0.62 0.40 6.45 0.02 -1.91 -2.58 113.55 116.55 3drg h SER 139 Ca -0.00 -0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 60.79 3drg h SER 139 Cb 0.08 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 3drg h SER 139 CO 0.00 0.53 -0.30 -0.07 -1.14 0.00 0.00 176.83 175.85 3drg h LEU 140 N 0.66 0.00 -1.47 5.07 4.07 -1.61 -2.74 115.31 119.29 3drg h LEU 140 Ca 0.17 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.13 3drg h LEU 140 Cb 0.05 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.79 3drg h LEU 140 CO -0.03 0.30 0.00 0.00 -1.08 0.00 0.00 178.44 177.64 3drg h ALA 141 N 1.70 1.00 0.00 1.53 0.00 -1.32 -2.31 119.26 119.86 3drg h ALA 141 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3drg h ALA 141 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3drg h ALA 141 CO 0.04 0.00 0.00 -0.97 0.00 0.00 0.00 179.25 178.32 3drg h ASN 142 N 0.00 0.00 -3.29 0.00 -1.24 -1.47 -3.43 115.58 106.14 3drg h ASN 142 Ca 0.00 0.00 -0.55 0.00 0.71 0.00 0.00 56.30 56.46 3drg h ASN 142 Cb 0.18 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.21 3drg h ASN 142 CO 0.00 0.00 0.50 -0.63 -1.29 0.00 0.00 177.43 176.01 3drg s ILE 143 N -3.35 4.67 0.11 2.57 1.01 -0.87 -0.27 121.20 125.07 3drg s ILE 143 Ca 0.05 1.93 -0.31 0.00 0.00 0.00 0.00 60.65 62.31 3drg s ILE 143 Cb 0.09 -4.24 -0.11 0.00 0.01 0.00 0.00 42.46 38.22 3drg s ILE 143 CO 0.51 0.08 1.85 0.52 0.00 0.00 0.00 174.94 177.90 3drg n VAL 144 N 4.22 0.39 -0.79 2.92 0.31 -0.50 -2.25 118.33 122.63 3drg n VAL 144 Ca 0.08 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 3drg n VAL 144 Cb 0.49 -2.12 0.00 0.00 -0.91 0.00 0.00 33.84 31.30 3drg n VAL 144 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3drg n GLY 145 N 4.25 1.16 0.19 2.92 0.00 -1.26 -0.17 105.19 112.29 3drg n GLY 145 Ca 0.18 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 3drg n GLY 145 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3drg h LEU 146 N 0.00 0.91 -0.72 0.99 5.85 -1.77 -2.34 115.31 118.23 3drg h LEU 146 Ca 0.00 -0.73 0.02 0.00 0.84 0.00 0.00 57.88 58.01 3drg h LEU 146 Cb 0.00 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 40.71 3drg h LEU 146 CO 0.00 1.53 0.47 0.28 -0.34 0.00 0.00 178.44 180.38 3drg h SER 147 N 0.39 0.79 -0.52 1.25 0.02 -1.83 0.20 113.55 113.85 3drg h SER 147 Ca -0.13 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.74 3drg h SER 147 Cb 1.71 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 64.03 3drg h SER 147 CO 0.21 0.56 0.09 0.44 -1.14 0.00 0.00 176.83 176.99 3drg h ASP 148 N 0.94 0.86 -0.42 3.07 3.32 -1.94 -1.36 116.42 120.89 3drg h ASP 148 Ca 0.27 -0.19 -0.14 0.00 0.02 0.00 0.00 57.03 57.00 3drg h ASP 148 Cb -0.06 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 3drg h ASP 148 CO -0.08 0.88 -0.28 0.22 -1.72 0.00 0.00 179.24 178.26 3drg h TYR 149 N 0.86 1.11 -0.75 4.55 3.20 -1.07 0.20 116.97 125.07 3drg h TYR 149 Ca 0.18 -0.29 -0.04 0.00 3.14 0.00 0.00 58.73 61.72 3drg h TYR 149 Cb 0.39 -0.25 -0.03 0.00 1.54 0.00 0.00 36.73 38.37 3drg h TYR 149 CO 0.02 1.11 0.32 1.25 -1.64 0.00 0.00 178.16 179.22 3drg h HIS 150 N 0.81 1.12 0.00 -3.82 2.76 -0.27 -2.59 115.15 113.16 3drg h HIS 150 Ca 0.09 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 3drg h HIS 150 Cb 0.86 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 29.47 3drg h HIS 150 CO 0.05 0.84 -0.28 0.25 -1.30 0.00 0.00 177.93 177.49 3drg n THR 151 N -4.29 0.41 -0.33 6.26 -2.24 -0.54 -4.59 114.28 108.95 3drg n THR 151 Ca 0.07 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3drg n THR 151 Cb 0.17 -0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 3drg n THR 151 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3drg n GLY 152 N 1.35 0.77 0.20 3.38 0.00 -0.87 -4.95 105.19 105.08 3drg n GLY 152 Ca 0.05 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.21 3drg n GLY 152 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3drg h LYS 153 N 3.48 0.00 -5.10 1.61 3.64 -0.88 -3.45 116.57 115.88 3drg h LYS 153 Ca 0.00 0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.04 3drg h LYS 153 Cb 0.00 0.00 -0.15 0.00 -0.41 0.00 0.00 32.23 31.67 3drg h LYS 153 CO 0.00 0.00 -0.72 0.00 -2.27 0.00 0.00 179.45 176.46 3drg s ALA 154 N -3.49 1.41 -0.06 5.00 0.00 -0.93 -4.95 121.76 118.74 3drg s ALA 154 Ca 0.03 -1.43 0.14 0.00 0.00 0.00 0.00 51.96 50.70 3drg s ALA 154 Cb 0.09 0.03 -0.17 0.00 0.00 0.00 0.00 23.12 23.07 3drg s ALA 154 CO 0.46 -0.06 0.88 0.87 0.00 0.00 0.00 175.76 177.91 3drg h LYS 155 N 2.98 0.00 -4.96 0.00 1.79 -1.91 -3.42 116.57 111.05 3drg h LYS 155 Ca -0.37 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.61 3drg h LYS 155 Cb 1.19 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 31.71 3drg h LYS 155 CO 0.60 0.49 -0.53 0.95 -1.08 0.00 0.00 179.45 179.89 3drg s THR 156 N -2.76 0.39 -0.44 -0.16 -4.23 -1.26 -5.10 115.64 102.08 3drg s THR 156 Ca -0.02 -2.00 -0.17 0.00 -1.18 0.00 0.00 61.69 58.31 3drg s THR 156 Cb 0.08 -2.45 0.03 0.00 1.34 0.00 0.00 72.50 71.51 3drg s THR 156 CO 0.81 0.00 0.46 -0.63 -0.54 0.00 0.00 174.62 174.72 3drg s ILE 157 N -3.40 5.07 0.32 2.99 1.01 -1.26 -4.59 121.20 121.33 3drg s ILE 157 Ca 0.32 -0.43 0.07 0.00 0.00 0.00 0.00 60.65 60.61 3drg s ILE 157 Cb 0.03 -4.08 0.07 0.00 0.01 0.00 0.00 42.46 38.49 3drg s ILE 157 CO 0.18 -0.49 1.75 0.77 0.00 0.00 0.00 174.94 177.16 3drg h SER 158 N 8.77 0.26 0.79 3.58 4.64 -1.76 -2.88 113.55 126.95 3drg h SER 158 Ca -0.27 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 60.96 3drg h SER 158 Cb 1.11 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 3drg h SER 158 CO 0.83 0.58 0.00 0.61 -0.87 0.00 0.00 176.83 177.98 3drg n GLY 159 N -0.36 -1.27 3.41 -0.77 0.00 0.77 -4.58 105.19 102.38 3drg n GLY 159 Ca -0.01 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 3drg n GLY 159 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3drg s ILE 160 N -3.13 4.12 0.18 -0.61 1.01 -1.09 -0.47 121.20 121.22 3drg s ILE 160 Ca 0.07 -0.32 0.05 0.00 0.00 0.00 0.00 60.65 60.45 3drg s ILE 160 Cb 0.11 -2.96 -0.05 0.00 0.01 0.00 0.00 42.46 39.57 3drg s ILE 160 CO 0.39 0.29 -0.09 0.42 0.00 0.00 0.00 174.94 175.96 3drg s THR 161 N 1.57 1.29 -0.29 2.92 -4.23 -0.87 -4.86 115.64 111.17 3drg s THR 161 Ca 0.06 -2.09 0.02 0.00 -1.18 0.00 0.00 61.69 58.49 3drg s THR 161 Cb -0.15 -2.02 0.08 0.00 1.34 0.00 0.00 72.50 71.75 3drg s THR 161 CO 0.02 -0.60 0.01 -0.36 -0.54 0.00 0.00 174.62 173.15 3drg s PHE 162 N -3.25 2.93 0.37 3.99 0.08 -1.26 -1.70 117.98 119.13 3drg s PHE 162 Ca 0.21 -2.33 0.05 0.00 0.12 0.00 0.00 56.93 54.98 3drg s PHE 162 Cb 0.03 -2.19 0.73 0.00 -0.57 0.00 0.00 43.02 41.02 3drg s PHE 162 CO 0.04 -0.88 2.00 -1.35 -0.10 0.00 0.00 175.22 174.93 3drg h PRO 163 N 7.82 0.73 -0.27 0.24 0.11 -1.96 -2.68 132.00 135.99 3drg h PRO 163 Ca -0.12 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.93 3drg h PRO 163 Cb 1.04 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 3drg h PRO 163 CO 0.47 0.49 0.00 -0.25 -0.21 0.00 0.00 178.00 178.50 3drg n ASP 164 N -4.46 3.77 0.00 -2.05 9.92 -1.26 -5.10 116.55 117.37 3drg n ASP 164 Ca 0.08 -3.08 0.00 0.00 -0.53 0.00 0.00 54.79 51.26 3drg n ASP 164 Cb 0.13 -0.55 0.00 0.00 -0.64 0.00 0.00 41.12 40.06 3drg n ASP 164 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3drg n GLY 165 N -0.58 -1.33 0.22 0.44 0.00 -1.01 -3.03 105.19 99.90 3drg n GLY 165 Ca 0.22 -1.54 0.06 0.00 0.00 0.00 0.00 46.02 44.76 3drg n GLY 165 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3drg h GLU 166 N 0.00 0.00 0.00 1.61 5.08 -1.95 -2.02 114.58 117.29 3drg h GLU 166 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3drg h GLU 166 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3drg h GLU 166 CO 0.00 0.25 -0.09 -0.91 -1.00 0.00 0.00 179.01 177.26 3drg h ASN 167 N 0.00 0.00 -3.26 1.42 2.35 -1.97 -2.96 115.58 111.16 3drg h ASN 167 Ca -0.00 0.00 -0.39 0.00 -0.55 0.00 0.00 56.30 55.35 3drg h ASN 167 Cb 0.50 0.00 0.21 0.00 0.05 0.00 0.00 38.32 39.08 3drg h ASN 167 CO 0.03 0.09 0.01 -0.83 -1.65 0.00 0.00 177.43 175.09 3drg s GLY 168 N -4.25 1.51 -0.02 2.83 0.00 -0.76 -4.56 107.32 102.07 3drg s GLY 168 Ca 0.05 -0.99 0.11 0.00 0.00 0.00 0.00 44.72 43.89 3drg s GLY 168 CO 0.65 -0.00 1.25 0.28 0.00 0.00 0.00 173.10 175.28 3drg n LYS 169 N -5.23 2.88 -5.06 2.90 4.76 -1.26 -0.72 118.16 116.43 3drg n LYS 169 Ca 0.14 -2.09 -0.30 0.00 -2.87 0.00 0.00 58.31 53.20 3drg n LYS 169 Cb 0.60 -1.31 -0.17 0.00 -1.84 0.00 0.00 35.03 32.32 3drg n LYS 169 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3drg s VAL 170 N -1.17 1.80 -0.02 -0.18 1.01 -1.26 -0.90 120.40 119.68 3drg s VAL 170 Ca 0.24 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.36 3drg s VAL 170 Cb 0.13 -1.56 -0.00 0.00 0.00 0.00 0.00 36.38 34.95 3drg s VAL 170 CO 0.14 0.50 -0.13 -0.63 0.00 0.00 0.00 175.10 174.99 3drg s ILE 171 N 0.21 1.05 -0.15 2.22 1.09 -0.31 -4.05 121.20 121.27 3drg s ILE 171 Ca -0.12 -0.54 -0.00 0.00 -1.10 0.00 0.00 60.65 58.90 3drg s ILE 171 Cb -0.15 -0.90 -0.01 0.00 -1.06 0.00 0.00 42.46 40.34 3drg s ILE 171 CO 0.06 0.31 -0.14 -0.75 -0.10 0.00 0.00 174.94 174.32 3drg s LYS 172 N -0.07 3.30 -0.25 2.79 2.20 -0.69 -0.78 119.74 126.24 3drg s LYS 172 Ca 0.00 -0.72 -0.02 0.00 -0.36 0.00 0.00 55.97 54.88 3drg s LYS 172 Cb -0.08 -2.64 0.02 0.00 -1.51 0.00 0.00 37.83 33.63 3drg s LYS 172 CO 0.00 0.10 -0.06 0.08 -0.36 0.00 0.00 175.35 175.12 3drg s VAL 173 N 0.62 2.90 -0.12 4.02 1.01 0.47 -2.05 120.40 127.25 3drg s VAL 173 Ca -0.08 -0.99 -0.20 0.00 0.00 0.00 0.00 61.98 60.71 3drg s VAL 173 Cb -0.16 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 3drg s VAL 173 CO 0.03 0.22 0.58 -1.58 0.00 0.00 0.00 175.10 174.34 3drg s GLN 174 N 1.34 4.34 0.19 2.72 2.00 0.38 -1.21 119.66 129.41 3drg s GLN 174 Ca 0.01 0.61 0.07 0.00 -2.00 0.00 0.00 55.36 54.05 3drg s GLN 174 Cb -0.16 -3.47 -0.04 0.00 0.80 0.00 0.00 33.01 30.14 3drg s GLN 174 CO -0.04 0.05 0.05 -0.06 -0.50 0.00 0.00 175.29 174.79 3drg s PHE 175 N 0.94 2.93 -0.09 1.67 0.08 -0.06 -1.41 117.98 122.04 3drg s PHE 175 Ca 0.30 -0.11 -0.22 0.00 0.12 0.00 0.00 56.93 57.02 3drg s PHE 175 Cb -0.16 -1.39 -0.28 0.00 -0.57 0.00 0.00 43.02 40.61 3drg s PHE 175 CO 0.13 0.53 0.72 0.87 -0.10 0.00 0.00 175.22 177.37 3drg h LYS 176 N 2.42 0.20 -4.40 0.44 1.57 -0.92 -3.45 116.57 112.43 3drg h LYS 176 Ca -0.47 -0.34 -0.34 0.00 -1.87 0.00 0.00 60.65 57.62 3drg h LYS 176 Cb 1.21 0.13 -0.29 0.00 0.08 0.00 0.00 32.23 33.36 3drg h LYS 176 CO 0.60 1.16 -0.76 -1.21 -0.57 0.00 0.00 179.45 178.67 3drg s GLU 177 N -2.40 0.51 0.34 3.15 0.41 -1.26 -5.07 118.70 114.38 3drg s GLU 177 Ca -0.18 -0.22 -0.27 0.00 -0.41 0.00 0.00 54.97 53.90 3drg s GLU 177 Cb 0.01 -0.49 -0.09 0.00 -1.78 0.00 0.00 34.13 31.78 3drg s GLU 177 CO 0.77 0.13 1.11 -1.64 -0.49 0.00 0.00 175.26 175.13 3drg s MET 178 N -0.11 4.37 0.03 1.61 -1.94 -1.26 -5.05 119.30 116.95 3drg s MET 178 Ca 0.02 1.74 0.08 0.00 -1.71 0.00 0.00 55.69 55.82 3drg s MET 178 Cb -0.03 -2.89 -0.03 0.00 2.01 0.00 0.00 34.83 33.89 3drg s MET 178 CO -0.00 -0.01 -0.23 0.15 -0.01 0.00 0.00 175.02 174.91 3drg s LYS 179 N -1.93 1.98 0.15 2.03 -0.14 -1.26 -4.57 119.74 116.00 3drg s LYS 179 Ca 0.51 -1.01 -0.17 0.00 -1.36 0.00 0.00 55.97 53.94 3drg s LYS 179 Cb -0.29 -2.08 0.03 0.00 -1.68 0.00 0.00 37.83 33.81 3drg s LYS 179 CO 0.37 0.54 1.78 -1.35 -0.76 0.00 0.00 175.35 175.93 3drg h PRO 180 N 4.89 0.37 0.00 -1.68 0.11 -1.81 -3.02 132.00 130.85 3drg h PRO 180 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3drg h PRO 180 Cb 1.14 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3drg h PRO 180 CO 0.46 0.24 0.00 0.41 -0.21 0.00 0.00 178.00 178.90 3drg n GLY 181 N -1.20 -0.32 0.25 -0.55 0.00 -1.26 -3.61 105.19 98.50 3drg n GLY 181 Ca 0.00 -0.06 0.17 0.00 0.00 0.00 0.00 46.02 46.13 3drg n GLY 181 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3drg h MET 182 N 0.00 0.00 -0.00 1.61 2.86 -1.92 0.18 114.93 117.65 3drg h MET 182 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3drg h MET 182 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3drg h MET 182 CO 0.00 0.00 -0.18 0.25 1.06 0.00 0.00 176.91 178.04 3drg n THR 183 N -2.78 0.00 -5.01 2.22 -2.24 -1.24 -4.87 114.28 100.36 3drg n THR 183 Ca -0.01 -0.03 -0.31 0.00 -2.27 0.00 0.00 64.05 61.43 3drg n THR 183 Cb 0.16 -0.12 -0.15 0.00 -2.10 0.00 0.00 70.33 68.12 3drg n THR 183 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3drg s GLN 184 N -2.76 2.09 0.45 -0.78 0.74 0.05 -1.02 119.66 118.43 3drg s GLN 184 Ca 0.20 -0.95 -0.24 0.00 0.05 0.00 0.00 55.36 54.42 3drg s GLN 184 Cb 0.19 -2.11 -0.08 0.00 1.10 0.00 0.00 33.01 32.11 3drg s GLN 184 CO 0.55 0.56 1.25 0.45 -0.55 0.00 0.00 175.29 177.55 3drg s SER 185 N -0.95 6.09 0.00 6.67 0.15 0.16 -3.33 113.70 122.50 3drg s SER 185 Ca 0.12 2.53 0.00 0.00 0.70 0.00 0.00 55.95 59.30 3drg s SER 185 Cb -0.10 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.58 3drg s SER 185 CO 0.01 -0.99 0.00 0.61 1.20 0.00 0.00 173.24 174.07 3drg n GLY 186 N 0.60 0.58 0.27 9.45 0.00 -1.26 -3.29 105.19 111.54 3drg n GLY 186 Ca 0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 46.02 45.82 3drg n GLY 186 CO 0.00 0.00 0.00 3.45 0.00 0.00 0.00 173.32 176.77 3drg h ASN 187 N 0.00 0.54 0.00 1.61 7.08 -1.78 -3.35 115.58 119.67 3drg h ASN 187 Ca 0.00 -0.10 0.00 0.00 -3.08 0.00 0.00 56.30 53.12 3drg h ASN 187 Cb 0.00 -0.14 0.00 0.00 -2.08 0.00 0.00 38.32 36.10 3drg h ASN 187 CO 0.00 0.60 0.00 0.61 -2.08 0.00 0.00 177.43 176.56 3drg n GLY 188 N -0.85 2.38 0.16 9.14 0.00 -1.26 -4.86 105.19 109.90 3drg n GLY 188 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.08 3drg n GLY 188 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3drg h TYR 189 N 0.00 0.00 -3.97 1.61 0.05 -1.91 -3.37 116.97 109.38 3drg h TYR 189 Ca 0.00 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.61 3drg h TYR 189 Cb 0.00 0.00 -0.21 0.00 1.01 0.00 0.00 36.73 37.53 3drg h TYR 189 CO 0.00 0.43 -0.70 -0.59 -1.05 0.00 0.00 178.16 176.25 3drg s PHE 190 N -3.07 0.25 0.59 4.88 -0.12 -1.26 -4.68 117.98 114.57 3drg s PHE 190 Ca 0.04 -0.51 -0.08 0.00 -0.05 0.00 0.00 56.93 56.32 3drg s PHE 190 Cb 0.08 -0.18 -0.02 0.00 -0.63 0.00 0.00 43.02 42.26 3drg s PHE 190 CO 0.73 -0.18 0.95 -0.51 -0.05 0.00 0.00 175.22 176.15 3drg s LEU 191 N -1.41 3.28 -0.07 -1.99 1.43 -1.26 -4.85 118.68 113.81 3drg s LEU 191 Ca -0.15 1.09 0.10 0.00 -1.03 0.00 0.00 54.13 54.14 3drg s LEU 191 Cb -0.10 -4.02 0.15 0.00 0.03 0.00 0.00 46.19 42.25 3drg s LEU 191 CO -0.01 -0.91 1.04 -0.62 0.23 0.00 0.00 176.35 176.08 3drg n GLU 192 N -2.63 1.17 -4.37 1.70 1.02 -1.26 -5.07 120.64 111.20 3drg n GLU 192 Ca 0.04 -1.88 -0.19 0.00 -0.02 0.00 0.00 57.16 55.11 3drg n GLU 192 Cb 0.56 -1.11 -0.10 0.00 -0.02 0.00 0.00 31.44 30.77 3drg n GLU 192 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3drg s THR 193 N -1.68 1.59 0.17 2.62 -4.23 -1.26 -1.53 115.64 111.32 3drg s THR 193 Ca 0.17 -2.15 0.10 0.00 -1.18 0.00 0.00 61.69 58.63 3drg s THR 193 Cb 0.15 -2.24 -0.04 0.00 1.34 0.00 0.00 72.50 71.70 3drg s THR 193 CO 0.02 -0.45 -0.23 0.68 -0.54 0.00 0.00 174.62 174.10 3drg s VAL 194 N -3.06 2.14 0.01 2.29 -7.23 -1.22 -4.71 120.40 108.62 3drg s VAL 194 Ca 0.26 -1.91 0.05 0.00 -1.81 0.00 0.00 61.98 58.57 3drg s VAL 194 Cb 0.02 -1.97 -0.01 0.00 0.56 0.00 0.00 36.38 34.97 3drg s VAL 194 CO 0.09 -0.12 -0.14 0.00 -0.31 0.00 0.00 175.10 174.61 3drg s ALA 195 N -1.61 1.21 -0.76 1.32 0.00 -0.68 -4.82 121.76 116.42 3drg s ALA 195 Ca 0.17 -0.69 -0.26 0.00 0.00 0.00 0.00 51.96 51.17 3drg s ALA 195 Cb -0.08 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.79 3drg s ALA 195 CO 0.08 0.28 1.43 -1.25 0.00 0.00 0.00 175.76 176.29 3drg s PRO 196 N -0.60 3.11 0.05 0.00 0.04 -1.26 -4.44 135.00 131.90 3drg s PRO 196 Ca 0.05 -0.19 -0.33 0.00 0.04 0.00 0.00 61.00 60.57 3drg s PRO 196 Cb -0.06 -4.39 -0.18 0.00 0.04 0.00 0.00 34.50 29.90 3drg s PRO 196 CO 0.00 -2.30 1.43 -0.92 0.04 0.00 0.00 177.00 175.25 3drg h TYR 197 N 10.94 -0.98 -1.04 0.56 3.20 -1.90 -2.22 116.97 125.54 3drg h TYR 197 Ca -0.21 -0.02 0.26 0.00 3.14 0.00 0.00 58.73 61.90 3drg h TYR 197 Cb 1.06 0.32 -0.10 0.00 1.54 0.00 0.00 36.73 39.56 3drg h TYR 197 CO 1.14 -0.59 0.66 1.96 -1.64 0.00 0.00 178.16 179.68 3drg h GLN 198 N -1.16 0.41 0.00 1.82 1.08 -1.98 0.74 115.11 116.01 3drg h GLN 198 Ca -0.11 -0.02 -0.12 0.00 -1.45 0.00 0.00 58.65 56.94 3drg h GLN 198 Cb 0.82 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 28.14 3drg h GLN 198 CO 0.18 0.27 -0.59 -0.92 -0.95 0.00 0.00 178.83 176.82 3drg h TYR 199 N 0.42 0.00 -0.01 2.96 3.20 -1.96 -3.36 116.97 118.23 3drg h TYR 199 Ca 0.60 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.47 3drg h TYR 199 Cb 1.46 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.73 3drg h TYR 199 CO -0.00 0.59 -0.06 1.28 -1.64 0.00 0.00 178.16 178.33 3drg n LEU 200 N -3.29 1.31 0.12 2.82 4.77 0.72 -4.72 117.00 118.73 3drg n LEU 200 Ca 0.01 -0.89 0.02 0.00 -0.03 0.00 0.00 56.01 55.12 3drg n LEU 200 Cb 0.75 0.00 0.38 0.00 -2.33 0.00 0.00 43.42 42.22 3drg n LEU 200 CO 0.41 0.27 0.87 0.07 -1.33 0.00 0.00 177.39 177.69 3drg h LYS 201 N 1.08 0.24 -0.09 3.23 2.10 0.15 -2.59 116.57 120.69 3drg h LYS 201 Ca 0.00 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.59 3drg h LYS 201 Cb 0.26 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 31.56 3drg h LYS 201 CO 0.00 0.39 0.00 -0.25 -2.00 0.00 0.00 179.45 177.59 3drg n ASP 202 N -4.26 1.10 -4.66 7.07 8.00 -1.26 -4.79 116.55 117.75 3drg n ASP 202 Ca -0.01 -1.54 -0.37 0.00 0.71 0.00 0.00 54.79 53.58 3drg n ASP 202 Cb 0.28 -0.05 -0.09 0.00 -0.02 0.00 0.00 41.12 41.24 3drg n ASP 202 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3drg s VAL 203 N -1.90 5.28 0.28 2.53 1.01 -0.98 -5.06 120.40 121.57 3drg s VAL 203 Ca 0.34 0.43 -0.30 0.00 0.00 0.00 0.00 61.98 62.44 3drg s VAL 203 Cb 0.17 -3.61 -0.12 0.00 0.00 0.00 0.00 36.38 32.82 3drg s VAL 203 CO 0.27 0.30 1.48 0.00 0.00 0.00 0.00 175.10 177.15 3drg n ALA 204 N 4.39 1.79 -0.27 5.51 0.00 -1.26 -4.84 120.51 125.83 3drg n ALA 204 Ca -0.12 0.39 0.08 0.00 0.00 0.00 0.00 53.44 53.79 3drg n ALA 204 Cb 0.52 -2.36 0.21 0.00 0.00 0.00 0.00 19.45 17.82 3drg n ALA 204 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3drg h PRO 205 N 4.26 0.21 0.00 0.00 0.11 -1.95 0.15 132.00 134.78 3drg h PRO 205 Ca -0.46 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3drg h PRO 205 Cb 1.25 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3drg h PRO 205 CO 0.76 0.14 0.00 0.36 -0.21 0.00 0.00 178.00 179.04 3drg n LYS 206 N -5.22 0.01 0.00 1.05 2.85 -0.96 -2.52 118.16 113.36 3drg n LYS 206 Ca 0.16 0.22 0.10 0.00 -1.05 0.00 0.00 58.31 57.74 3drg n LYS 206 Cb 0.54 -1.51 0.03 0.00 -0.65 0.00 0.00 35.03 33.44 3drg n LYS 206 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3drg n ASP 207 N -1.53 2.18 0.02 -5.58 8.00 0.49 -4.65 116.55 115.48 3drg n ASP 207 Ca 0.04 -1.59 -0.07 0.00 0.71 0.00 0.00 54.79 53.88 3drg n ASP 207 Cb 0.20 0.28 0.10 0.00 -0.02 0.00 0.00 41.12 41.67 3drg n ASP 207 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 3drg h LEU 208 N 2.88 0.52 -0.97 0.64 5.85 -1.27 -1.77 115.31 121.18 3drg h LEU 208 Ca 0.00 -0.26 -0.10 0.00 0.84 0.00 0.00 57.88 58.37 3drg h LEU 208 Cb 0.73 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 3drg h LEU 208 CO 0.00 0.93 -0.29 0.00 -0.34 0.00 0.00 178.44 178.74 3drg h ALA 209 N 1.08 1.13 -0.03 1.25 0.00 -1.83 -3.11 119.26 117.76 3drg h ALA 209 Ca 0.02 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.57 3drg h ALA 209 Cb 1.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.70 3drg h ALA 209 CO 0.09 0.55 -0.08 -1.13 0.00 0.00 0.00 179.25 178.68 3drg n SER 210 N -4.11 2.83 -4.77 0.00 3.41 -1.16 -4.82 113.62 105.01 3drg n SER 210 Ca -0.01 -1.91 -0.39 0.00 -0.26 0.00 0.00 58.87 56.30 3drg n SER 210 Cb 0.42 0.08 -0.00 0.00 -0.26 0.00 0.00 64.21 64.45 3drg n SER 210 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3drg s SER 211 N -2.07 6.19 0.61 4.04 0.15 -0.67 -4.91 113.70 117.04 3drg s SER 211 Ca 0.26 2.62 0.39 0.00 0.70 0.00 0.00 55.95 59.92 3drg s SER 211 Cb 0.20 -2.63 1.90 0.00 -1.71 0.00 0.00 66.02 63.77 3drg s SER 211 CO 0.34 -0.93 2.18 -0.65 1.20 0.00 0.00 173.24 175.39 3drg h PRO 212 N 2.48 0.00 0.00 5.44 0.11 -1.91 -2.61 132.00 135.51 3drg h PRO 212 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3drg h PRO 212 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3drg h PRO 212 CO 0.62 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 180.04 3drg n LYS 213 N -3.10 0.10 0.00 1.05 5.02 -1.26 -0.02 118.16 119.95 3drg n LYS 213 Ca -0.01 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.37 3drg n LYS 213 Cb 0.19 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 3drg n LYS 213 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 3drg n THR 214 N -1.44 0.18 0.00 -0.18 -2.24 -1.00 -4.09 114.28 105.52 3drg n THR 214 Ca 0.07 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 3drg n THR 214 Cb 0.25 1.06 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 3drg n THR 214 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3drg n THR 215 N -0.09 0.00 0.02 4.28 -2.24 -1.11 -1.62 114.28 113.53 3drg n THR 215 Ca 0.00 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.74 3drg n THR 215 Cb 0.10 -0.44 -0.10 0.00 -2.10 0.00 0.00 70.33 67.80 3drg n THR 215 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 3drg h THR 216 N 0.00 0.83 -2.39 4.28 1.35 -1.74 -3.42 112.91 111.81 3drg h THR 216 Ca 0.00 -2.48 -0.59 0.00 -0.55 0.00 0.00 66.41 62.79 3drg h THR 216 Cb 0.00 2.33 -0.39 0.00 -1.73 0.00 0.00 68.15 68.36 3drg h THR 216 CO 0.00 0.47 -0.91 0.29 -0.25 0.00 0.00 175.52 175.12 3drg n LYS 217 N -3.04 0.77 -2.39 4.72 5.02 0.96 -4.11 118.16 120.09 3drg n LYS 217 Ca -0.10 -3.52 -0.14 0.00 -2.02 0.00 0.00 58.31 52.53 3drg n LYS 217 Cb 0.93 -1.72 0.05 0.00 -0.02 0.00 0.00 35.03 34.27 3drg n LYS 217 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3drg n PRO 218 N 2.21 0.72 -5.14 1.97 -0.04 -1.26 -4.08 135.00 129.38 3drg n PRO 218 Ca 0.26 -2.20 -0.32 0.00 -0.04 0.00 0.00 63.50 61.21 3drg n PRO 218 Cb 0.46 -0.16 -0.16 0.00 -0.04 0.00 0.00 33.50 33.60 3drg n PRO 218 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3drg s LEU 219 N 0.00 2.27 0.38 1.53 1.43 -1.26 -4.94 118.68 118.09 3drg s LEU 219 Ca 0.43 -0.43 0.05 0.00 -1.03 0.00 0.00 54.13 53.14 3drg s LEU 219 Cb -0.03 -1.43 -0.06 0.00 0.03 0.00 0.00 46.19 44.69 3drg s LEU 219 CO 0.27 0.26 0.04 0.68 0.23 0.00 0.00 176.35 177.83 3drg s VAL 220 N -0.24 1.45 -0.11 -1.59 -7.23 -1.26 -4.86 120.40 106.56 3drg s VAL 220 Ca -0.01 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.19 3drg s VAL 220 Cb -0.13 -2.78 -0.03 0.00 0.56 0.00 0.00 36.38 34.00 3drg s VAL 220 CO 0.03 0.00 0.10 0.35 -0.31 0.00 0.00 175.10 175.27 3drg n THR 221 N -0.87 0.00 -1.55 5.32 -2.24 -1.24 -1.10 114.28 112.59 3drg n THR 221 Ca -0.05 -0.38 -0.30 0.00 -2.27 0.00 0.00 64.05 61.05 3drg n THR 221 Cb 0.67 0.91 0.21 0.00 -2.10 0.00 0.00 70.33 70.02 3drg n THR 221 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3drg s GLY 222 N -1.42 1.70 0.43 3.38 0.00 -0.68 -4.71 107.32 106.01 3drg s GLY 222 Ca 0.01 -1.12 0.11 0.00 0.00 0.00 0.00 44.72 43.71 3drg s GLY 222 CO 0.11 -0.29 2.02 -0.56 0.00 0.00 0.00 173.10 174.39 3drg h PRO 223 N -2.09 0.25 -6.32 2.90 0.13 -1.83 -3.43 132.00 121.60 3drg h PRO 223 Ca -0.44 -0.03 -0.59 0.00 -0.87 0.00 0.00 66.00 64.06 3drg h PRO 223 Cb 1.26 -0.05 -0.12 0.00 0.13 0.00 0.00 31.00 32.22 3drg h PRO 223 CO 0.35 0.26 -0.68 -0.06 -0.23 0.00 0.00 178.00 177.64 3drg s PHE 224 N -5.04 2.68 0.06 1.56 0.08 -0.08 -0.15 117.98 117.08 3drg s PHE 224 Ca -0.06 -0.21 0.06 0.00 0.12 0.00 0.00 56.93 56.84 3drg s PHE 224 Cb 0.16 -1.25 -0.03 0.00 -0.57 0.00 0.00 43.02 41.34 3drg s PHE 224 CO 0.71 0.57 -0.17 -1.59 -0.10 0.00 0.00 175.22 174.65 3drg s LYS 225 N -3.23 1.03 -0.60 0.44 -2.85 0.40 -3.94 119.74 110.99 3drg s LYS 225 Ca 0.28 -0.91 -0.27 0.00 -1.00 0.00 0.00 55.97 54.07 3drg s LYS 225 Cb -0.08 -1.10 0.00 0.00 -2.06 0.00 0.00 37.83 34.59 3drg s LYS 225 CO 0.18 0.27 1.59 -1.25 0.10 0.00 0.00 175.35 176.23 3drg s PRO 226 N -1.42 3.01 0.21 1.78 0.04 -1.26 -1.59 135.00 135.77 3drg s PRO 226 Ca 0.03 0.43 -0.01 0.00 0.04 0.00 0.00 61.00 61.49 3drg s PRO 226 Cb -0.09 -4.25 0.18 0.00 0.04 0.00 0.00 34.50 30.38 3drg s PRO 226 CO 0.02 -2.30 1.55 1.49 0.04 0.00 0.00 177.00 177.80 3drg h GLU 227 N 12.52 0.48 -2.93 4.56 4.81 -0.76 -3.45 114.58 129.82 3drg h GLU 227 Ca -0.27 -0.29 -0.16 0.00 -0.13 0.00 0.00 59.36 58.51 3drg h GLU 227 Cb 1.12 0.03 -0.27 0.00 0.63 0.00 0.00 28.75 30.26 3drg h GLU 227 CO 1.21 0.89 -0.38 1.21 -0.73 0.00 0.00 179.01 181.20 3drg s ASN 228 N -6.90 -0.34 -0.21 1.04 2.47 -1.20 -5.01 114.94 104.79 3drg s ASN 228 Ca -0.07 0.65 0.02 0.00 0.42 0.00 0.00 52.86 53.88 3drg s ASN 228 Cb 0.12 0.59 0.04 0.00 -1.45 0.00 0.00 41.25 40.55 3drg s ASN 228 CO 0.83 -0.14 -0.16 -0.69 -3.72 0.00 0.00 177.10 173.21 3drg s VAL 229 N 0.72 2.10 -0.62 -5.21 1.01 -1.26 -0.19 120.40 116.95 3drg s VAL 229 Ca -0.05 -1.21 -0.22 0.00 0.00 0.00 0.00 61.98 60.51 3drg s VAL 229 Cb -0.06 -2.02 0.07 0.00 0.00 0.00 0.00 36.38 34.38 3drg s VAL 229 CO -0.05 0.32 0.87 -0.69 0.00 0.00 0.00 175.10 175.55 3drg s VAL 230 N 1.22 4.49 -0.43 2.92 1.01 -0.55 -4.91 120.40 124.14 3drg s VAL 230 Ca -0.00 -0.44 -0.45 0.00 0.00 0.00 0.00 61.98 61.09 3drg s VAL 230 Cb -0.16 -4.59 -0.19 0.00 0.00 0.00 0.00 36.38 31.44 3drg s VAL 230 CO -0.10 -1.29 1.64 0.00 0.00 0.00 0.00 175.10 175.35 3drg n ALA 231 N 7.24 -1.05 -1.08 5.51 0.00 -1.26 -0.96 120.51 128.90 3drg n ALA 231 Ca -0.05 0.47 -0.03 0.00 0.00 0.00 0.00 53.44 53.83 3drg n ALA 231 Cb 0.45 -2.01 -0.01 0.00 0.00 0.00 0.00 19.45 17.88 3drg n ALA 231 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3drg n GLY 232 N 4.03 0.61 0.85 0.00 0.00 -1.24 -4.83 105.19 104.60 3drg n GLY 232 Ca 0.30 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.73 3drg n GLY 232 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3drg n GLU 233 N -2.65 0.00 -4.08 1.61 2.13 -0.13 -2.33 120.64 115.19 3drg n GLU 233 Ca -0.03 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.69 3drg n GLU 233 Cb 0.13 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.75 3drg n GLU 233 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 3drg s SER 234 N -1.19 0.21 -0.03 4.31 1.04 -0.97 -2.08 113.70 115.00 3drg s SER 234 Ca 0.00 -1.10 0.05 0.00 0.48 0.00 0.00 55.95 55.38 3drg s SER 234 Cb 0.00 0.35 -0.01 0.00 0.10 0.00 0.00 66.02 66.46 3drg s SER 234 CO 0.00 -0.79 -0.18 -0.63 0.98 0.00 0.00 173.24 172.62 3drg s ILE 235 N -4.03 1.42 -0.47 -1.02 1.01 0.33 -1.48 121.20 116.96 3drg s ILE 235 Ca 0.22 -0.74 -0.07 0.00 0.00 0.00 0.00 60.65 60.06 3drg s ILE 235 Cb 0.06 -1.20 0.12 0.00 0.01 0.00 0.00 42.46 41.45 3drg s ILE 235 CO 0.02 0.41 0.32 -0.75 0.00 0.00 0.00 174.94 174.93 3drg s LYS 236 N -0.20 2.36 0.05 2.79 2.47 0.73 -1.67 119.74 126.27 3drg s LYS 236 Ca 0.02 -1.85 -0.23 0.00 -1.56 0.00 0.00 55.97 52.34 3drg s LYS 236 Cb -0.09 -3.82 -0.06 0.00 -1.46 0.00 0.00 37.83 32.40 3drg s LYS 236 CO 0.01 -1.16 0.69 0.71 0.16 0.00 0.00 175.35 175.76 3drg s TYR 237 N 1.17 3.75 0.15 4.03 2.02 0.14 0.02 117.35 128.62 3drg s TYR 237 Ca 0.08 1.38 0.05 0.00 -0.37 0.00 0.00 57.07 58.21 3drg s TYR 237 Cb -0.24 -2.71 -0.04 0.00 -0.40 0.00 0.00 41.96 38.56 3drg s TYR 237 CO -0.02 0.37 -0.12 0.14 -1.57 0.00 0.00 175.55 174.35 3drg s VAL 238 N -0.36 1.31 0.33 0.71 -7.23 -0.62 -1.77 120.40 112.77 3drg s VAL 238 Ca 0.35 -2.00 -0.29 0.00 -1.81 0.00 0.00 61.98 58.23 3drg s VAL 238 Cb -0.20 -1.80 -0.12 0.00 0.56 0.00 0.00 36.38 34.82 3drg s VAL 238 CO 0.21 -0.64 1.39 -2.65 -0.31 0.00 0.00 175.10 173.10 3drg n PRO 239 N -0.04 2.33 -3.13 4.82 -0.02 -1.26 -0.45 135.00 137.25 3drg n PRO 239 Ca -0.11 0.82 -0.42 0.00 -2.02 0.00 0.00 63.50 61.77 3drg n PRO 239 Cb 0.60 -2.47 -0.07 0.00 -0.02 0.00 0.00 33.50 31.54 3drg n PRO 239 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3drg s ASN 240 N -0.11 6.39 0.58 2.55 2.47 0.79 -4.67 114.94 122.94 3drg s ASN 240 Ca 0.57 0.00 0.37 0.00 0.42 0.00 0.00 52.86 54.23 3drg s ASN 240 Cb -0.54 -2.32 1.78 0.00 -1.45 0.00 0.00 41.25 38.72 3drg s ASN 240 CO 0.60 -0.63 2.12 1.55 -3.72 0.00 0.00 177.10 177.02 3drg h PRO 241 N 8.57 0.00 -0.69 0.43 0.13 -1.92 -2.75 132.00 135.77 3drg h PRO 241 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3drg h PRO 241 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3drg h PRO 241 CO 0.84 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.27 3drg n TYR 242 N -3.02 1.26 -2.13 1.56 4.01 -1.26 -4.96 117.16 112.60 3drg n TYR 242 Ca -0.01 -0.55 -0.42 0.00 -0.16 0.00 0.00 57.90 56.77 3drg n TYR 242 Cb 0.20 -0.13 -0.03 0.00 -0.31 0.00 0.00 39.34 39.07 3drg n TYR 242 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 3drg s TYR 243 N -1.47 3.22 0.37 -0.72 5.04 -1.04 -4.24 117.35 118.51 3drg s TYR 243 Ca 0.50 0.90 0.12 0.00 -2.44 0.00 0.00 57.07 56.15 3drg s TYR 243 Cb 0.29 -3.72 0.72 0.00 0.35 0.00 0.00 41.96 39.61 3drg s TYR 243 CO 0.29 -2.55 1.84 0.11 -1.34 0.00 0.00 175.55 173.89 3drg h TRP 244 N 6.80 0.05 -2.32 4.97 5.08 -1.84 -3.46 115.95 125.23 3drg h TRP 244 Ca -0.42 -0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.54 3drg h TRP 244 Cb 1.21 -0.01 0.00 0.00 -3.00 0.00 0.00 29.16 27.36 3drg h TRP 244 CO 0.66 0.38 0.00 0.41 -1.28 0.00 0.00 178.44 178.61 3drg n GLY 245 N -0.52 1.65 3.74 11.11 0.00 -1.26 -5.05 105.19 114.85 3drg n GLY 245 Ca -0.02 -1.96 -0.41 0.00 0.00 0.00 0.00 46.02 43.64 3drg n GLY 245 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3drg n GLU 246 N 0.00 2.19 -2.15 1.61 1.02 -1.26 -4.95 120.64 117.10 3drg n GLU 246 Ca 0.00 0.78 -0.42 0.00 -0.02 0.00 0.00 57.16 57.50 3drg n GLU 246 Cb 0.00 -2.52 -0.03 0.00 -0.02 0.00 0.00 31.44 28.87 3drg n GLU 246 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3drg s LYS 247 N -2.25 4.30 0.66 3.49 -0.14 -1.26 -4.92 119.74 119.62 3drg s LYS 247 Ca 0.59 2.09 -0.17 0.00 -1.36 0.00 0.00 55.97 57.12 3drg s LYS 247 Cb -0.49 -3.32 -0.00 0.00 -1.68 0.00 0.00 37.83 32.34 3drg s LYS 247 CO 0.59 -0.49 1.21 -1.25 -0.76 0.00 0.00 175.35 174.65 3drg s PRO 248 N 1.43 2.58 0.05 -1.68 0.04 -1.26 -4.88 135.00 131.27 3drg s PRO 248 Ca 0.65 1.78 -0.15 0.00 0.04 0.00 0.00 61.00 63.32 3drg s PRO 248 Cb -0.36 -1.88 -0.30 0.00 0.04 0.00 0.00 34.50 32.00 3drg s PRO 248 CO 0.30 -1.50 1.09 0.87 0.04 0.00 0.00 177.00 177.79 3drg h LYS 249 N 0.30 0.61 -7.11 4.56 1.57 -1.70 -3.47 116.57 111.33 3drg h LYS 249 Ca -0.49 -0.82 -0.47 0.00 -1.87 0.00 0.00 60.65 57.00 3drg h LYS 249 Cb 1.30 0.27 0.02 0.00 0.08 0.00 0.00 32.23 33.90 3drg h LYS 249 CO 0.53 1.38 0.37 -0.51 -0.57 0.00 0.00 179.45 180.64 3drg s LEU 250 N -7.87 3.79 0.01 2.94 1.43 -1.26 -4.20 118.68 113.51 3drg s LEU 250 Ca -0.10 1.79 -0.20 0.00 -1.03 0.00 0.00 54.13 54.59 3drg s LEU 250 Cb 0.05 -4.54 -0.20 0.00 0.03 0.00 0.00 46.19 41.53 3drg s LEU 250 CO 0.93 -0.70 1.18 0.78 0.23 0.00 0.00 176.35 178.77 3drg h ASN 251 N 1.39 0.44 -5.05 2.29 -0.26 0.39 -3.44 115.58 111.34 3drg h ASN 251 Ca -0.49 -0.66 -0.09 0.00 -0.56 0.00 0.00 56.30 54.50 3drg h ASN 251 Cb 1.20 -0.13 -0.17 0.00 -1.06 0.00 0.00 38.32 38.16 3drg h ASN 251 CO 0.60 1.04 -0.25 -0.94 -1.06 0.00 0.00 177.43 176.81 3drg s SER 252 N -6.47 -0.12 -0.09 5.81 1.04 -0.67 -4.25 113.70 108.94 3drg s SER 252 Ca -0.14 -0.19 0.02 0.00 0.48 0.00 0.00 55.95 56.12 3drg s SER 252 Cb 0.04 0.36 0.01 0.00 0.10 0.00 0.00 66.02 66.53 3drg s SER 252 CO 0.79 -0.61 -0.15 -0.63 0.98 0.00 0.00 173.24 173.62 3drg s ILE 253 N -2.52 1.40 -0.25 -1.02 1.01 -0.73 -1.49 121.20 117.60 3drg s ILE 253 Ca -0.05 -0.60 -0.07 0.00 0.00 0.00 0.00 60.65 59.93 3drg s ILE 253 Cb -0.01 -1.28 -0.02 0.00 0.01 0.00 0.00 42.46 41.16 3drg s ILE 253 CO -0.03 0.42 0.05 0.42 0.00 0.00 0.00 174.94 175.80 3drg s THR 254 N 0.88 4.10 -0.25 2.92 -4.23 -0.64 0.25 115.64 118.66 3drg s THR 254 Ca -0.09 -0.28 -0.04 0.00 -1.18 0.00 0.00 61.69 60.10 3drg s THR 254 Cb -0.15 -2.93 0.01 0.00 1.34 0.00 0.00 72.50 70.77 3drg s THR 254 CO 0.01 0.33 -0.02 -0.47 -0.54 0.00 0.00 174.62 173.93 3drg s TYR 255 N 1.58 3.06 0.20 3.99 6.04 -0.67 -0.48 117.35 131.06 3drg s TYR 255 Ca 0.06 -1.24 0.10 0.00 0.04 0.00 0.00 57.07 56.03 3drg s TYR 255 Cb -0.15 -2.12 -0.04 0.00 -1.04 0.00 0.00 41.96 38.60 3drg s TYR 255 CO 0.02 -0.64 -0.19 -1.21 -1.54 0.00 0.00 175.55 171.99 3drg s GLU 256 N 1.41 1.40 0.18 4.97 2.02 -0.45 -0.51 118.70 127.71 3drg s GLU 256 Ca 0.02 -1.52 -0.19 0.00 0.02 0.00 0.00 54.97 53.30 3drg s GLU 256 Cb -0.16 -1.47 -0.08 0.00 0.10 0.00 0.00 34.13 32.52 3drg s GLU 256 CO -0.02 0.29 0.67 0.14 0.02 0.00 0.00 175.26 176.36 3drg s VAL 257 N -2.21 4.63 -0.04 2.63 -7.23 -0.88 -0.76 120.40 116.54 3drg s VAL 257 Ca 0.20 1.24 0.01 0.00 -1.81 0.00 0.00 61.98 61.62 3drg s VAL 257 Cb -0.05 -3.88 0.02 0.00 0.56 0.00 0.00 36.38 33.03 3drg s VAL 257 CO 0.09 0.31 -0.04 0.54 -0.31 0.00 0.00 175.10 175.69 3drg s VAL 258 N -1.40 0.48 0.63 1.32 0.11 -0.39 -4.87 120.40 116.28 3drg s VAL 258 Ca 0.39 -0.12 -0.17 0.00 -2.93 0.00 0.00 61.98 59.15 3drg s VAL 258 Cb -0.18 -0.50 -0.02 0.00 -1.53 0.00 0.00 36.38 34.16 3drg s VAL 258 CO 0.21 0.20 1.14 -0.94 -3.33 0.00 0.00 175.10 172.38 3drg s SER 259 N 0.74 5.17 0.25 3.54 1.04 -1.25 -1.15 113.70 122.03 3drg s SER 259 Ca -0.09 2.15 -0.05 0.00 0.48 0.00 0.00 55.95 58.44 3drg s SER 259 Cb -0.13 -2.57 0.33 0.00 0.10 0.00 0.00 66.02 63.75 3drg s SER 259 CO -0.00 -1.60 1.87 0.74 0.98 0.00 0.00 173.24 175.23 3drg h THR 260 N 0.43 1.09 -0.03 2.02 2.02 -1.93 -2.34 112.91 114.17 3drg h THR 260 Ca -0.48 -0.37 -0.05 0.00 0.77 0.00 0.00 66.41 66.28 3drg h THR 260 Cb 1.26 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 3drg h THR 260 CO 0.54 0.20 -0.22 0.00 0.37 0.00 0.00 175.52 176.41 3drg h ALA 261 N 1.40 1.58 -0.03 6.16 0.00 -1.96 -3.15 119.26 123.27 3drg h ALA 261 Ca 0.38 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3drg h ALA 261 Cb 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3drg h ALA 261 CO -0.15 0.32 -0.14 1.63 0.00 0.00 0.00 179.25 180.90 3drg n LYS 262 N -4.25 1.97 0.00 0.00 5.02 -0.92 -4.62 118.16 115.36 3drg n LYS 262 Ca -0.02 -1.64 -0.12 0.00 -2.02 0.00 0.00 58.31 54.51 3drg n LYS 262 Cb 0.29 -1.46 -0.08 0.00 -0.02 0.00 0.00 35.03 33.76 3drg n LYS 262 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 3drg h SER 263 N 3.98 0.04 -0.48 4.39 0.02 -1.40 -1.46 113.55 118.64 3drg h SER 263 Ca 0.00 -0.25 -0.11 0.00 -0.84 0.00 0.00 61.79 60.59 3drg h SER 263 Cb 0.92 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.43 3drg h SER 263 CO 0.00 0.28 -0.13 0.58 -1.14 0.00 0.00 176.83 176.42 3drg h VAL 264 N -0.20 1.27 -0.18 2.27 2.07 -1.82 -2.28 116.25 117.38 3drg h VAL 264 Ca 0.01 -1.27 -0.06 0.00 0.82 0.00 0.00 66.70 66.20 3drg h VAL 264 Cb 0.26 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 3drg h VAL 264 CO 0.00 0.44 -0.13 0.00 0.02 0.00 0.00 177.57 177.90 3drg h ALA 265 N 0.88 1.44 0.00 1.67 0.00 -1.84 -1.71 119.26 119.70 3drg h ALA 265 Ca 0.12 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 3drg h ALA 265 Cb 0.69 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3drg h ALA 265 CO 0.05 0.39 -0.33 0.00 0.00 0.00 0.00 179.25 179.37 3drg h ALA 266 N 1.59 1.10 0.07 0.00 0.00 -0.90 -2.44 119.26 118.67 3drg h ALA 266 Ca 0.06 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.50 3drg h ALA 266 Cb 0.41 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.17 3drg h ALA 266 CO 0.02 0.41 -0.71 -0.07 0.00 0.00 0.00 179.25 178.90 3drg h LEU 267 N 0.00 0.51 -1.47 0.00 3.38 -0.85 -1.56 115.31 115.33 3drg h LEU 267 Ca -0.00 -0.85 -0.01 0.00 0.09 0.00 0.00 57.88 57.11 3drg h LEU 267 Cb 0.76 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3drg h LEU 267 CO 0.04 1.31 0.24 0.28 0.09 0.00 0.00 178.44 180.40 3drg h SER 268 N -0.22 0.53 -0.04 -0.43 0.02 -1.26 -2.13 113.55 110.02 3drg h SER 268 Ca -0.11 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 3drg h SER 268 Cb 1.48 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.88 3drg h SER 268 CO 0.14 0.43 0.00 -1.54 -1.14 0.00 0.00 176.83 174.72 3drg n SER 269 N -4.42 1.40 -1.82 3.07 3.41 -0.93 -4.94 113.62 109.39 3drg n SER 269 Ca 0.03 -1.50 -0.20 0.00 -0.26 0.00 0.00 58.87 56.94 3drg n SER 269 Cb 0.10 -0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 63.97 3drg n SER 269 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3drg n SER 270 N 0.11 -5.56 -0.14 4.04 7.64 -0.80 -4.89 113.62 114.01 3drg n SER 270 Ca 0.19 0.32 -0.02 0.00 1.01 0.00 0.00 58.87 60.37 3drg n SER 270 Cb 0.33 -4.75 0.21 0.00 -1.01 0.00 0.00 64.21 58.99 3drg n SER 270 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 3drg h LYS 271 N 0.00 0.84 -6.33 1.43 3.64 -1.54 -3.42 116.57 111.20 3drg h LYS 271 Ca -0.44 -0.14 -0.65 0.00 -1.27 0.00 0.00 60.65 58.15 3drg h LYS 271 Cb 1.33 -0.14 -0.29 0.00 -0.41 0.00 0.00 32.23 32.72 3drg h LYS 271 CO 0.59 0.71 -0.87 0.71 -2.27 0.00 0.00 179.45 178.32 3drg s TYR 272 N -5.35 2.08 0.07 1.91 2.02 -1.21 -4.87 117.35 112.00 3drg s TYR 272 Ca -0.10 -0.39 0.01 0.00 -0.37 0.00 0.00 57.07 56.22 3drg s TYR 272 Cb 0.16 -1.32 -0.25 0.00 -0.40 0.00 0.00 41.96 40.14 3drg s TYR 272 CO 0.79 -0.01 1.11 -0.44 -1.57 0.00 0.00 175.55 175.43 3drg h ASP 273 N 5.42 0.25 -3.67 2.29 3.32 -0.94 -3.45 116.42 119.64 3drg h ASP 273 Ca -0.42 -0.29 -0.28 0.00 0.02 0.00 0.00 57.03 56.06 3drg h ASP 273 Cb 1.13 -0.08 -0.31 0.00 0.22 0.00 0.00 39.33 40.30 3drg h ASP 273 CO 0.47 1.23 -0.73 -0.63 -1.72 0.00 0.00 179.24 177.85 3drg s ILE 274 N -2.66 0.10 -0.12 0.35 1.01 -1.19 -0.23 121.20 118.45 3drg s ILE 274 Ca -0.03 0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.66 3drg s ILE 274 Cb 0.08 -0.14 0.02 0.00 0.01 0.00 0.00 42.46 42.43 3drg s ILE 274 CO 0.85 0.07 -0.15 -0.63 0.00 0.00 0.00 174.94 175.08 3drg s ILE 275 N 0.42 1.51 0.01 2.92 1.01 -1.22 -1.15 121.20 124.69 3drg s ILE 275 Ca -0.04 -0.64 -0.02 0.00 0.00 0.00 0.00 60.65 59.96 3drg s ILE 275 Cb -0.06 -1.39 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 3drg s ILE 275 CO -0.01 0.44 0.17 0.20 0.00 0.00 0.00 174.94 175.75 3drg s ASN 276 N 1.11 6.25 -0.84 3.58 -0.87 -0.62 -4.19 114.94 119.36 3drg s ASN 276 Ca -0.04 0.29 -0.05 0.00 -1.57 0.00 0.00 52.86 51.49 3drg s ASN 276 Cb -0.14 -1.92 0.01 0.00 -0.02 0.00 0.00 41.25 39.17 3drg s ASN 276 CO -0.04 0.24 0.73 0.61 -2.57 0.00 0.00 177.10 176.07 3drg n GLY 277 N 0.80 0.02 3.77 0.66 0.00 -1.26 -2.35 105.19 106.82 3drg n GLY 277 Ca -0.10 -0.10 -0.38 0.00 0.00 0.00 0.00 46.02 45.44 3drg n GLY 277 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3drg s MET 278 N -5.77 4.45 0.56 1.61 -1.94 -1.26 -4.61 119.30 112.34 3drg s MET 278 Ca 0.35 1.61 -0.19 0.00 -1.71 0.00 0.00 55.69 55.75 3drg s MET 278 Cb -0.15 -2.89 -0.05 0.00 2.01 0.00 0.00 34.83 33.74 3drg s MET 278 CO 0.45 0.10 1.17 0.54 -0.01 0.00 0.00 175.02 177.27 3drg s VAL 279 N -1.41 2.93 0.49 -6.03 0.11 -1.26 -4.81 120.40 110.41 3drg s VAL 279 Ca 0.50 0.59 0.15 0.00 -2.93 0.00 0.00 61.98 60.29 3drg s VAL 279 Cb -0.26 -3.24 0.23 0.00 -1.53 0.00 0.00 36.38 31.58 3drg s VAL 279 CO 0.33 -0.11 2.08 0.77 -3.33 0.00 0.00 175.10 174.84 3drg h SER 280 N 1.15 0.02 0.61 3.54 4.64 -1.92 -2.86 113.55 118.72 3drg h SER 280 Ca -0.50 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3drg h SER 280 Cb 1.28 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3drg h SER 280 CO 0.56 0.09 0.00 -1.54 -0.87 0.00 0.00 176.83 175.07 3drg n SER 281 N -4.45 0.54 -0.03 4.97 3.41 -1.25 -2.61 113.62 114.20 3drg n SER 281 Ca -0.03 0.65 0.11 0.00 -0.26 0.00 0.00 58.87 59.34 3drg n SER 281 Cb 0.15 -0.76 0.01 0.00 -0.26 0.00 0.00 64.21 63.35 3drg n SER 281 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3drg n GLN 282 N -2.11 0.08 -0.13 4.33 6.02 -1.08 -4.41 117.38 120.08 3drg n GLN 282 Ca 0.02 -0.06 0.07 0.00 -0.01 0.00 0.00 57.00 57.02 3drg n GLN 282 Cb 0.20 -1.50 0.40 0.00 1.02 0.00 0.00 30.24 30.36 3drg n GLN 282 CO 0.00 0.00 0.00 -0.92 -1.01 0.00 0.00 177.06 175.13 3drg h TYR 283 N 0.14 0.64 -0.81 1.08 3.20 -1.65 -1.35 116.97 118.23 3drg h TYR 283 Ca 0.00 0.02 0.19 0.00 3.14 0.00 0.00 58.73 62.08 3drg h TYR 283 Cb 0.51 -0.21 -0.12 0.00 1.54 0.00 0.00 36.73 38.45 3drg h TYR 283 CO 0.00 0.34 0.23 -0.22 -1.64 0.00 0.00 178.16 176.87 3drg h LYS 284 N 0.64 0.27 0.09 1.82 3.64 -1.80 -1.55 116.57 119.68 3drg h LYS 284 Ca 0.28 -0.02 -0.30 0.00 -1.27 0.00 0.00 60.65 59.34 3drg h LYS 284 Cb 0.27 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 3drg h LYS 284 CO -0.08 0.18 -1.57 1.96 -2.27 0.00 0.00 179.45 177.66 3drg h GLN 285 N 0.28 0.20 -0.67 1.90 4.20 -1.58 -3.36 115.11 116.07 3drg h GLN 285 Ca 0.48 -0.34 -0.06 0.00 0.06 0.00 0.00 58.65 58.79 3drg h GLN 285 Cb 0.88 0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.76 3drg h GLN 285 CO -0.56 1.03 0.20 0.28 -0.67 0.00 0.00 178.83 179.11 3drg h VAL 286 N 0.05 1.25 0.00 -0.54 2.07 -1.02 -2.75 116.25 115.32 3drg h VAL 286 Ca -0.25 -0.88 -0.03 0.00 0.82 0.00 0.00 66.70 66.36 3drg h VAL 286 Cb 2.00 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 32.29 3drg h VAL 286 CO 0.14 0.34 -0.13 0.50 0.02 0.00 0.00 177.57 178.44 3drg h LYS 287 N 1.00 0.00 -0.01 1.57 3.64 -1.44 -2.21 116.57 119.12 3drg h LYS 287 Ca 0.22 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 3drg h LYS 287 Cb 0.30 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3drg h LYS 287 CO -0.01 0.13 -0.01 0.09 -2.27 0.00 0.00 179.45 177.38 3drg n ASN 288 N -3.67 0.94 -4.51 4.20 3.02 -1.04 -4.81 115.26 109.39 3drg n ASN 288 Ca -0.02 -1.27 -0.43 0.00 -0.03 0.00 0.00 54.58 52.83 3drg n ASN 288 Cb 0.25 -0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.37 3drg n ASN 288 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3drg s LEU 289 N -2.04 4.25 0.53 3.41 1.43 -0.83 -5.04 118.68 120.39 3drg s LEU 289 Ca 0.41 -0.46 -0.19 0.00 -1.03 0.00 0.00 54.13 52.85 3drg s LEU 289 Cb 0.21 -2.76 -0.06 0.00 0.03 0.00 0.00 46.19 43.61 3drg s LEU 289 CO 0.36 -1.18 1.08 -0.54 0.23 0.00 0.00 176.35 176.30 3drg s LYS 290 N 3.74 3.50 0.00 1.70 1.02 -1.26 -3.44 119.74 125.00 3drg s LYS 290 Ca 0.28 1.45 0.00 0.00 0.02 0.00 0.00 55.97 57.72 3drg s LYS 290 Cb -0.14 -2.04 0.00 0.00 -0.52 0.00 0.00 37.83 35.13 3drg s LYS 290 CO 0.18 -0.70 0.00 0.41 -0.92 0.00 0.00 175.35 174.32 3drg n GLY 291 N -0.17 0.79 3.02 -3.33 0.00 -1.26 -5.05 105.19 99.19 3drg n GLY 291 Ca 0.10 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 3drg n GLY 291 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3drg s TYR 292 N -2.56 1.05 -0.23 1.61 2.02 -1.22 -1.42 117.35 116.60 3drg s TYR 292 Ca 0.00 -0.26 -0.10 0.00 -0.37 0.00 0.00 57.07 56.33 3drg s TYR 292 Cb 0.00 -0.74 -0.05 0.00 -0.40 0.00 0.00 41.96 40.77 3drg s TYR 292 CO 0.00 -0.10 0.14 0.21 -1.57 0.00 0.00 175.55 174.23 3drg s LYS 293 N 0.14 4.08 -0.57 -0.62 2.20 0.56 -4.88 119.74 120.66 3drg s LYS 293 Ca -0.03 -0.27 -0.22 0.00 -0.36 0.00 0.00 55.97 55.09 3drg s LYS 293 Cb -0.09 -3.49 0.05 0.00 -1.51 0.00 0.00 37.83 32.80 3drg s LYS 293 CO 0.01 0.12 0.87 0.08 -0.36 0.00 0.00 175.35 176.07 3drg s VAL 294 N 0.87 4.49 0.74 4.02 1.01 -1.26 -1.23 120.40 129.04 3drg s VAL 294 Ca 0.07 -0.11 -0.09 0.00 0.00 0.00 0.00 61.98 61.86 3drg s VAL 294 Cb -0.13 -4.52 0.07 0.00 0.00 0.00 0.00 36.38 31.79 3drg s VAL 294 CO 0.03 -1.14 1.08 -0.76 0.00 0.00 0.00 175.10 174.31 3drg s LEU 295 N 3.64 2.71 -0.14 3.92 1.43 -0.16 -4.63 118.68 125.45 3drg s LEU 295 Ca 0.24 0.60 -0.34 0.00 -1.03 0.00 0.00 54.13 53.61 3drg s LEU 295 Cb -0.16 -3.20 0.13 0.00 0.03 0.00 0.00 46.19 42.99 3drg s LEU 295 CO 0.15 -1.69 1.18 -0.83 0.23 0.00 0.00 176.35 175.38 3drg s GLY 296 N -4.53 -0.32 0.18 -3.19 0.00 -0.96 -0.91 107.32 97.59 3drg s GLY 296 Ca 0.61 1.41 -0.23 0.00 0.00 0.00 0.00 44.72 46.51 3drg s GLY 296 CO 0.47 0.46 0.99 -0.86 0.00 0.00 0.00 173.10 174.15 3drg s GLN 297 N -2.51 1.32 -0.02 2.90 -2.07 -0.71 -4.13 119.66 114.43 3drg s GLN 297 Ca 0.09 -0.80 -0.30 0.00 -1.82 0.00 0.00 55.36 52.54 3drg s GLN 297 Cb -0.00 0.40 -0.05 0.00 -1.09 0.00 0.00 33.01 32.27 3drg s GLN 297 CO -0.05 -0.61 1.46 -0.65 -1.32 0.00 0.00 175.29 174.12 3drg s GLN 298 N -2.71 4.25 0.19 9.60 -0.21 -1.26 -1.38 119.66 128.13 3drg s GLN 298 Ca 0.17 2.01 -0.30 0.00 0.02 0.00 0.00 55.36 57.25 3drg s GLN 298 Cb -0.02 -3.67 -0.08 0.00 1.00 0.00 0.00 33.01 30.23 3drg s GLN 298 CO 0.04 -0.65 1.27 0.00 -2.12 0.00 0.00 175.29 173.83 3drg s ALA 299 N 2.84 3.49 -1.41 6.09 0.00 -1.00 -4.83 121.76 126.95 3drg s ALA 299 Ca 0.65 1.05 -0.13 0.00 0.00 0.00 0.00 51.96 53.54 3drg s ALA 299 Cb -0.31 -3.46 0.08 0.00 0.00 0.00 0.00 23.12 19.42 3drg s ALA 299 CO 0.26 -0.48 2.12 -0.12 0.00 0.00 0.00 175.76 177.54 3drg n MET 300 N 2.69 3.08 -3.66 0.00 1.56 -1.26 -4.73 117.12 114.81 3drg n MET 300 Ca 0.06 -2.88 -0.15 0.00 -0.27 0.00 0.00 57.70 54.46 3drg n MET 300 Cb 0.43 -3.18 -0.08 0.00 2.15 0.00 0.00 33.22 32.55 3drg n MET 300 CO 0.00 0.00 0.00 -0.47 -0.73 0.00 0.00 175.97 174.77 3drg s TYR 301 N 2.36 -0.39 -0.14 1.12 5.04 -1.26 -2.16 117.35 121.93 3drg s TYR 301 Ca 0.45 0.68 -0.12 0.00 -2.44 0.00 0.00 57.07 55.64 3drg s TYR 301 Cb 0.13 0.23 0.04 0.00 0.35 0.00 0.00 41.96 42.70 3drg s TYR 301 CO -0.06 -0.47 0.36 -1.50 -1.34 0.00 0.00 175.55 172.54 3drg s ILE 302 N -1.16 -0.00 -0.11 3.14 2.07 -1.18 -4.49 121.20 119.46 3drg s ILE 302 Ca -0.12 0.02 -0.03 0.00 -1.41 0.00 0.00 60.65 59.11 3drg s ILE 302 Cb -0.03 -0.51 -0.03 0.00 0.13 0.00 0.00 42.46 42.02 3drg s ILE 302 CO 0.06 0.01 0.01 -0.94 -1.91 0.00 0.00 174.94 172.17 3drg s SER 303 N 0.38 5.30 0.11 4.50 1.04 -0.98 -1.47 113.70 122.58 3drg s SER 303 Ca -0.02 0.12 -0.09 0.00 0.48 0.00 0.00 55.95 56.44 3drg s SER 303 Cb -0.04 -1.63 -0.00 0.00 0.10 0.00 0.00 66.02 64.45 3drg s SER 303 CO -0.01 0.32 0.22 -1.48 0.98 0.00 0.00 173.24 173.26 3drg s LEU 304 N -0.53 1.28 -0.21 2.42 -0.00 0.47 -0.96 118.68 121.15 3drg s LEU 304 Ca 0.09 -0.73 -0.15 0.00 -0.00 0.00 0.00 54.13 53.35 3drg s LEU 304 Cb -0.12 1.08 -0.04 0.00 -0.00 0.00 0.00 46.19 47.11 3drg s LEU 304 CO 0.02 -0.78 0.34 -0.32 -0.00 0.00 0.00 176.35 175.61 3drg s MET 305 N -3.90 4.16 -0.01 1.48 -2.45 0.38 -0.30 119.30 118.67 3drg s MET 305 Ca 0.09 0.09 -0.02 0.00 -1.25 0.00 0.00 55.69 54.61 3drg s MET 305 Cb 0.04 -3.53 -0.04 0.00 1.25 0.00 0.00 34.83 32.56 3drg s MET 305 CO -0.07 0.00 0.13 0.71 1.05 0.00 0.00 175.02 176.84 3drg s TYR 306 N 1.19 3.41 -0.03 4.11 2.02 0.63 -1.16 117.35 127.51 3drg s TYR 306 Ca 0.16 0.28 0.03 0.00 -0.37 0.00 0.00 57.07 57.17 3drg s TYR 306 Cb -0.14 -1.78 -0.03 0.00 -0.40 0.00 0.00 41.96 39.60 3drg s TYR 306 CO 0.07 0.60 -0.09 0.71 -1.57 0.00 0.00 175.55 175.26 3drg s TYR 307 N -1.24 2.84 -0.57 2.71 2.02 -1.22 -1.88 117.35 120.01 3drg s TYR 307 Ca 0.24 -0.06 -0.25 0.00 -0.37 0.00 0.00 57.07 56.63 3drg s TYR 307 Cb -0.12 -1.64 0.04 0.00 -0.40 0.00 0.00 41.96 39.84 3drg s TYR 307 CO 0.15 0.31 1.02 1.21 -1.57 0.00 0.00 175.55 176.67 3drg s ASN 308 N -1.05 6.35 0.00 2.29 2.47 -0.43 -4.47 114.94 120.10 3drg s ASN 308 Ca 0.14 -0.28 0.07 0.00 0.42 0.00 0.00 52.86 53.20 3drg s ASN 308 Cb -0.11 -2.47 0.00 0.00 -1.45 0.00 0.00 41.25 37.23 3drg s ASN 308 CO 0.04 -1.32 0.53 0.18 -3.72 0.00 0.00 177.10 172.80 3drg n LEU 309 N 7.78 1.05 0.00 3.21 4.77 0.22 -4.94 117.00 129.09 3drg n LEU 309 Ca 0.03 -0.79 0.00 0.00 -0.03 0.00 0.00 56.01 55.22 3drg n LEU 309 Cb 0.48 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 3drg n LEU 309 CO 0.66 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 3drg n GLY 310 N 0.71 1.00 3.30 -0.72 0.00 -1.08 -2.34 105.19 106.06 3drg n GLY 310 Ca 0.03 -0.05 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 3drg n GLY 310 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 3drg s HIS 311 N 0.22 0.77 -0.17 1.61 -3.43 -0.50 -4.76 115.29 109.03 3drg s HIS 311 Ca 0.00 -1.08 -0.02 0.00 -0.80 0.00 0.00 55.06 53.16 3drg s HIS 311 Cb 0.00 -0.28 -0.01 0.00 -1.43 0.00 0.00 32.58 30.85 3drg s HIS 311 CO 0.00 -0.70 -0.08 -0.47 -2.00 0.00 0.00 174.74 171.49 3drg s TYR 312 N -4.07 2.91 -0.47 0.38 5.04 0.28 -0.89 117.35 120.53 3drg s TYR 312 Ca 0.28 -0.74 -0.25 0.00 -2.44 0.00 0.00 57.07 53.92 3drg s TYR 312 Cb 0.05 -1.97 0.03 0.00 0.35 0.00 0.00 41.96 40.41 3drg s TYR 312 CO 0.07 -0.34 0.89 0.34 -1.34 0.00 0.00 175.55 175.17 3drg s ASP 313 N 0.85 6.46 0.07 4.32 -1.08 0.08 -4.37 116.67 123.00 3drg s ASP 313 Ca -0.02 0.02 -0.14 0.00 -0.52 0.00 0.00 52.55 51.88 3drg s ASP 313 Cb -0.15 -2.43 -0.23 0.00 -1.46 0.00 0.00 42.92 38.65 3drg s ASP 313 CO 0.01 -1.03 1.19 0.00 0.52 0.00 0.00 175.17 175.85 3drg h ALA 314 N 9.08 0.13 -0.92 3.66 0.00 -1.96 -0.09 119.26 129.15 3drg h ALA 314 Ca -0.24 -0.69 -0.01 0.00 0.00 0.00 0.00 54.91 53.97 3drg h ALA 314 Cb 1.08 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 3drg h ALA 314 CO 1.02 0.67 0.54 -0.22 0.00 0.00 0.00 179.25 181.26 3drg h LYS 315 N 0.38 1.26 -0.40 0.00 3.64 -1.98 -3.10 116.57 116.37 3drg h LYS 315 Ca -0.13 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 3drg h LYS 315 Cb 1.67 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 33.23 3drg h LYS 315 CO 0.20 0.89 0.00 0.09 -2.27 0.00 0.00 179.45 178.36 3drg n ASN 316 N -4.35 3.09 -3.84 4.20 5.03 -1.24 -4.97 115.26 113.18 3drg n ASN 316 Ca 0.10 -1.96 -0.32 0.00 0.87 0.00 0.00 54.58 53.27 3drg n ASN 316 Cb 0.07 -0.27 0.01 0.00 -1.02 0.00 0.00 39.78 38.57 3drg n ASN 316 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 3drg n SER 317 N 0.78 -4.81 -3.71 6.41 7.64 -0.12 -4.99 113.62 114.82 3drg n SER 317 Ca 0.14 -1.04 -0.12 0.00 1.01 0.00 0.00 58.87 58.86 3drg n SER 317 Cb 0.46 -2.04 -0.10 0.00 -1.01 0.00 0.00 64.21 61.52 3drg n SER 317 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 3drg s ILE 318 N -3.23 -0.01 -0.09 0.44 1.10 -0.77 -4.23 121.20 114.40 3drg s ILE 318 Ca 0.22 0.05 -0.27 0.00 -0.51 0.00 0.00 60.65 60.15 3drg s ILE 318 Cb -0.11 -0.60 -0.02 0.00 0.15 0.00 0.00 42.46 41.87 3drg s ILE 318 CO 0.91 0.02 0.86 0.20 -2.11 0.00 0.00 174.94 174.82 3drg s ASN 319 N 0.88 7.11 -0.26 4.50 0.01 0.10 -0.74 114.94 126.53 3drg s ASN 319 Ca -0.05 1.35 -0.01 0.00 -0.71 0.00 0.00 52.86 53.43 3drg s ASN 319 Cb -0.06 -2.49 0.04 0.00 0.41 0.00 0.00 41.25 39.15 3drg s ASN 319 CO -0.07 -0.30 -0.05 -0.69 -1.51 0.00 0.00 177.10 174.48 3drg s VAL 320 N 1.52 2.84 -1.32 1.60 1.01 -0.07 -4.69 120.40 121.29 3drg s VAL 320 Ca 0.43 -1.18 -0.15 0.00 0.00 0.00 0.00 61.98 61.08 3drg s VAL 320 Cb -0.18 -2.51 0.10 0.00 0.00 0.00 0.00 36.38 33.78 3drg s VAL 320 CO 0.18 0.09 1.83 1.67 0.00 0.00 0.00 175.10 178.87 3drg n GLN 321 N 4.63 3.20 -0.22 2.72 7.27 -1.22 -1.41 117.38 132.36 3drg n GLN 321 Ca -0.15 -3.26 0.04 0.00 0.07 0.00 0.00 57.00 53.70 3drg n GLN 321 Cb 0.46 -3.27 0.05 0.00 2.41 0.00 0.00 30.24 29.89 3drg n GLN 321 CO 0.00 0.00 0.00 -0.40 0.07 0.00 0.00 177.06 176.73 3drg n ASP 322 N 6.59 1.13 -4.70 1.69 5.75 -1.14 -4.89 116.55 120.99 3drg n ASP 322 Ca 0.46 -2.30 -0.42 0.00 -0.01 0.00 0.00 54.79 52.52 3drg n ASP 322 Cb 0.42 -0.24 -0.03 0.00 -1.03 0.00 0.00 41.12 40.24 3drg n ASP 322 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 3drg s ARG 323 N -1.22 4.44 -0.67 0.11 3.52 -0.99 -4.94 118.95 119.20 3drg s ARG 323 Ca 0.12 1.63 -0.27 0.00 -0.13 0.00 0.00 55.73 57.08 3drg s ARG 323 Cb 0.11 -3.45 0.01 0.00 -1.56 0.00 0.00 34.95 30.05 3drg s ARG 323 CO 0.01 -0.27 1.51 0.15 -0.81 0.00 0.00 175.30 175.89 3drg s LYS 324 N 1.48 3.00 -0.14 5.12 1.02 -1.26 -4.82 119.74 124.13 3drg s LYS 324 Ca 0.55 0.18 -0.24 0.00 0.02 0.00 0.00 55.97 56.48 3drg s LYS 324 Cb -0.25 -4.25 0.06 0.00 -0.52 0.00 0.00 37.83 32.87 3drg s LYS 324 CO 0.26 -2.33 0.60 -0.08 -0.92 0.00 0.00 175.35 172.88 3drg s THR 325 N 7.01 0.01 -0.09 2.17 -1.32 -1.26 -5.02 115.64 117.14 3drg s THR 325 Ca 0.49 -0.06 0.23 0.00 -1.21 0.00 0.00 61.69 61.14 3drg s THR 325 Cb -0.10 -0.88 0.23 0.00 -1.51 0.00 0.00 72.50 70.24 3drg s THR 325 CO 0.19 -0.03 1.69 -0.65 -2.21 0.00 0.00 174.62 173.60 3drg h PRO 326 N 4.26 0.00 0.00 7.08 0.11 -1.98 -1.88 132.00 139.59 3drg h PRO 326 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3drg h PRO 326 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3drg h PRO 326 CO 0.24 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.31 3drg n LEU 327 N -2.32 0.00 0.13 2.35 4.77 -1.26 -2.89 117.00 117.78 3drg n LEU 327 Ca -0.02 0.16 0.13 0.00 -0.03 0.00 0.00 56.01 56.25 3drg n LEU 327 Cb 0.07 -0.16 0.44 0.00 -2.33 0.00 0.00 43.42 41.45 3drg n LEU 327 CO 0.10 -0.03 0.88 1.56 -1.33 0.00 0.00 177.39 178.56 3drg h GLN 328 N 0.00 0.00 -6.35 3.23 1.08 -1.67 -3.44 115.11 107.97 3drg h GLN 328 Ca 0.00 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 56.66 3drg h GLN 328 Cb 0.12 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.52 3drg h GLN 328 CO 0.00 0.00 0.16 -0.51 -0.95 0.00 0.00 178.83 177.53 3drg s ASP 329 N -4.54 7.25 0.20 1.46 1.11 -1.14 -4.98 116.67 116.02 3drg s ASP 329 Ca 0.08 1.49 -0.07 0.00 0.18 0.00 0.00 52.55 54.23 3drg s ASP 329 Cb 0.11 -2.47 0.12 0.00 1.07 0.00 0.00 42.92 41.75 3drg s ASP 329 CO 0.52 0.06 1.62 -0.61 1.18 0.00 0.00 175.17 177.94 3drg h GLN 330 N 5.35 0.89 -0.05 8.23 4.15 -1.89 -2.92 115.11 128.88 3drg h GLN 330 Ca -0.45 -0.35 -0.06 0.00 0.77 0.00 0.00 58.65 58.57 3drg h GLN 330 Cb 1.21 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.84 3drg h GLN 330 CO 0.70 0.99 -0.24 -0.91 -1.93 0.00 0.00 178.83 177.44 3drg h ASN 331 N 0.79 0.07 -0.25 -0.69 4.21 -1.94 -1.92 115.58 115.85 3drg h ASN 331 Ca 0.12 -0.02 -0.17 0.00 1.21 0.00 0.00 56.30 57.44 3drg h ASN 331 Cb 0.71 -0.02 0.00 0.00 -1.12 0.00 0.00 38.32 37.89 3drg h ASN 331 CO 0.05 0.32 -0.51 0.58 -1.29 0.00 0.00 177.43 176.58 3drg h VAL 332 N 0.07 1.29 -0.59 2.81 2.07 -1.83 -2.70 116.25 117.37 3drg h VAL 332 Ca 0.01 -1.71 -0.10 0.00 0.82 0.00 0.00 66.70 65.72 3drg h VAL 332 Cb 0.46 1.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.96 3drg h VAL 332 CO 0.03 0.55 -0.02 0.03 0.02 0.00 0.00 177.57 178.18 3drg h ARG 333 N 0.53 1.06 -0.20 1.57 3.08 -1.31 -2.97 114.38 116.14 3drg h ARG 333 Ca 0.01 -0.35 -0.08 0.00 0.07 0.00 0.00 59.98 59.63 3drg h ARG 333 Cb 1.12 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 31.08 3drg h ARG 333 CO 0.11 1.05 -0.19 1.96 -1.07 0.00 0.00 179.97 181.84 3drg h GLN 334 N 0.96 0.48 -0.23 0.04 4.20 -1.42 -3.06 115.11 116.08 3drg h GLN 334 Ca 0.17 -0.25 0.01 0.00 0.06 0.00 0.00 58.65 58.64 3drg h GLN 334 Cb 0.59 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 3drg h GLN 334 CO 0.03 0.82 0.12 0.00 -0.67 0.00 0.00 178.83 179.13 3drg h ALA 335 N 0.65 0.28 -0.55 3.87 0.00 -1.50 0.11 119.26 122.13 3drg h ALA 335 Ca 0.03 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3drg h ALA 335 Cb 0.73 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 3drg h ALA 335 CO 0.05 -0.29 0.36 0.82 0.00 0.00 0.00 179.25 180.19 3drg h ILE 336 N 0.25 1.03 -0.22 0.00 2.04 -1.61 0.17 117.51 119.17 3drg h ILE 336 Ca 0.09 -0.20 -0.14 0.00 1.00 0.00 0.00 64.86 65.61 3drg h ILE 336 Cb 0.02 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 3drg h ILE 336 CO -0.06 0.11 -0.41 1.23 0.00 0.00 0.00 178.15 179.02 3drg h GLY 337 N 0.58 0.73 2.00 5.37 0.00 -1.27 -3.22 103.07 107.26 3drg h GLY 337 Ca 0.23 -0.85 -0.01 0.00 0.00 0.00 0.00 47.33 46.69 3drg h GLY 337 CO -0.06 0.77 -0.05 -0.97 0.00 0.00 0.00 176.54 176.22 3drg h TYR 338 N 0.38 0.00 0.00 5.60 0.05 0.10 -3.07 116.97 120.03 3drg h TYR 338 Ca 0.01 0.00 -0.16 0.00 0.05 0.00 0.00 58.73 58.63 3drg h TYR 338 Cb 1.01 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.72 3drg h TYR 338 CO 0.09 0.05 -0.76 0.00 -1.05 0.00 0.00 178.16 176.49 3drg h ALA 339 N 1.95 0.69 -2.98 3.88 0.00 -0.71 -1.29 119.26 120.79 3drg h ALA 339 Ca -0.00 -0.69 -0.54 0.00 0.00 0.00 0.00 54.91 53.67 3drg h ALA 339 Cb 0.57 -0.12 0.13 0.00 0.00 0.00 0.00 17.79 18.37 3drg h ALA 339 CO 0.01 0.95 0.53 1.03 0.00 0.00 0.00 179.25 181.77 3drg s ARG 340 N -3.18 2.92 -0.68 0.00 0.52 -1.16 -4.74 118.95 112.64 3drg s ARG 340 Ca 0.00 2.04 0.03 0.00 -0.52 0.00 0.00 55.73 57.28 3drg s ARG 340 Cb 0.11 -2.03 0.34 0.00 0.52 0.00 0.00 34.95 33.90 3drg s ARG 340 CO 0.78 -1.30 1.20 0.27 0.02 0.00 0.00 175.30 176.26 3drg n ASN 341 N -1.46 5.26 -0.18 0.23 6.94 -1.26 -4.39 115.26 120.39 3drg n ASN 341 Ca 0.13 -3.70 -0.04 0.00 -0.02 0.00 0.00 54.58 50.95 3drg n ASN 341 Cb 0.48 -0.71 0.06 0.00 -2.36 0.00 0.00 39.78 37.25 3drg n ASN 341 CO 0.00 0.00 0.00 0.58 -1.03 0.00 0.00 177.26 176.81 3drg h VAL 342 N 2.74 1.00 -0.32 3.53 2.07 -1.90 -1.66 116.25 121.72 3drg h VAL 342 Ca 0.25 -0.20 0.03 0.00 0.82 0.00 0.00 66.70 67.59 3drg h VAL 342 Cb 0.48 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.58 3drg h VAL 342 CO 0.92 0.11 0.14 0.00 0.02 0.00 0.00 177.57 178.76 3drg h ALA 343 N 1.27 0.38 -0.70 1.67 0.00 -1.90 0.13 119.26 120.11 3drg h ALA 343 Ca 0.23 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 3drg h ALA 343 Cb 0.09 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3drg h ALA 343 CO -0.13 -0.24 0.33 1.49 0.00 0.00 0.00 179.25 180.69 3drg h GLU 344 N 0.30 1.02 -0.60 0.00 4.81 -1.89 -1.39 114.58 116.83 3drg h GLU 344 Ca 0.13 -0.16 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 3drg h GLU 344 Cb 0.07 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 3drg h GLU 344 CO -0.11 0.81 0.21 0.28 -0.73 0.00 0.00 179.01 179.47 3drg h VAL 345 N 0.98 1.24 -0.17 0.32 2.07 -0.94 -2.91 116.25 116.84 3drg h VAL 345 Ca 0.24 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 3drg h VAL 345 Cb 0.13 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3drg h VAL 345 CO -0.03 0.30 0.06 0.44 0.02 0.00 0.00 177.57 178.36 3drg h ASP 346 N 0.84 0.24 0.57 0.57 5.19 -0.45 -2.07 116.42 121.31 3drg h ASP 346 Ca 0.19 -0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.42 3drg h ASP 346 Cb 0.25 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.70 3drg h ASP 346 CO -0.01 0.36 0.00 0.78 -3.12 0.00 0.00 179.24 177.25 3drg h ASN 347 N 0.11 0.00 0.06 6.45 2.35 -1.27 -2.25 115.58 121.04 3drg h ASN 347 Ca 0.06 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.44 3drg h ASN 347 Cb 0.20 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.51 3drg h ASN 347 CO -0.00 0.00 -2.31 1.17 -1.65 0.00 0.00 177.43 174.63 3drg n LYS 348 N -2.87 0.68 -0.00 0.81 4.81 -1.10 -4.76 118.16 115.73 3drg n LYS 348 Ca -0.00 0.12 0.02 0.00 -0.87 0.00 0.00 58.31 57.57 3drg n LYS 348 Cb 0.20 -1.57 -0.03 0.00 0.02 0.00 0.00 35.03 33.65 3drg n LYS 348 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 3drg n PHE 349 N -3.07 0.00 1.02 5.64 3.72 -0.79 -4.80 117.46 119.18 3drg n PHE 349 Ca -0.36 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.16 3drg n PHE 349 Cb 1.07 -0.06 0.11 0.00 -0.94 0.00 0.00 39.48 39.65 3drg n PHE 349 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3drg n SER 350 N -1.50 2.86 -3.75 4.37 3.41 -0.85 -3.87 113.62 114.30 3drg n SER 350 Ca -0.00 -1.94 -0.29 0.00 -0.26 0.00 0.00 58.87 56.38 3drg n SER 350 Cb 0.08 0.04 0.02 0.00 -0.26 0.00 0.00 64.21 64.09 3drg n SER 350 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3drg n ASN 351 N 1.19 -4.62 -0.28 4.04 3.02 -1.26 -2.02 115.26 115.33 3drg n ASN 351 Ca 0.14 -0.67 -0.04 0.00 -0.03 0.00 0.00 54.58 53.98 3drg n ASN 351 Cb 0.58 -3.72 -0.02 0.00 -0.61 0.00 0.00 39.78 36.02 3drg n ASN 351 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3drg n GLY 352 N -1.55 0.63 0.08 7.41 0.00 -1.26 -4.86 105.19 105.64 3drg n GLY 352 Ca 0.02 -0.32 -0.04 0.00 0.00 0.00 0.00 46.02 45.68 3drg n GLY 352 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3drg n LEU 353 N -0.42 0.38 -4.66 0.99 4.77 -0.86 -1.05 117.00 116.15 3drg n LEU 353 Ca -0.04 0.17 -0.37 0.00 -0.03 0.00 0.00 56.01 55.75 3drg n LEU 353 Cb 0.22 0.26 -0.10 0.00 -2.33 0.00 0.00 43.42 41.47 3drg n LEU 353 CO 0.06 0.31 -0.18 -0.44 -1.33 0.00 0.00 177.39 175.81 3drg s SER 354 N -5.52 6.11 -0.18 -1.43 0.01 -1.26 -1.83 113.70 109.60 3drg s SER 354 Ca -0.07 0.11 -0.05 0.00 1.31 0.00 0.00 55.95 57.25 3drg s SER 354 Cb 0.08 -2.10 -0.03 0.00 0.21 0.00 0.00 66.02 64.18 3drg s SER 354 CO 0.84 0.06 -0.00 -0.89 0.41 0.00 0.00 173.24 173.66 3drg s THR 355 N 1.07 4.08 0.22 1.44 2.01 -0.60 -4.84 115.64 119.02 3drg s THR 355 Ca 0.07 -0.28 -0.32 0.00 0.31 0.00 0.00 61.69 61.47 3drg s THR 355 Cb -0.14 -2.82 -0.13 0.00 0.01 0.00 0.00 72.50 69.42 3drg s THR 355 CO 0.05 0.46 1.56 -2.65 -0.69 0.00 0.00 174.62 173.34 3drg n PRO 356 N 3.87 2.35 -2.92 4.92 -0.02 -1.26 -0.87 135.00 141.06 3drg n PRO 356 Ca -0.17 0.84 -0.39 0.00 -2.02 0.00 0.00 63.50 61.76 3drg n PRO 356 Cb 0.52 -2.60 -0.06 0.00 -0.02 0.00 0.00 33.50 31.34 3drg n PRO 356 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3drg s ALA 357 N 0.49 3.39 -0.07 3.55 0.00 0.78 -4.77 121.76 125.12 3drg s ALA 357 Ca 0.72 0.41 0.22 0.00 0.00 0.00 0.00 51.96 53.31 3drg s ALA 357 Cb -0.60 -3.02 -0.28 0.00 0.00 0.00 0.00 23.12 19.22 3drg s ALA 357 CO 0.42 0.26 0.57 0.27 0.00 0.00 0.00 175.76 177.29 3drg n ASN 358 N 1.29 0.15 -1.64 0.00 6.94 -1.26 -3.79 115.26 116.95 3drg n ASN 358 Ca -0.03 0.06 -0.04 0.00 -0.02 0.00 0.00 54.58 54.55 3drg n ASN 358 Cb 0.49 1.69 -0.00 0.00 -2.36 0.00 0.00 39.78 39.60 3drg n ASN 358 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 3drg n SER 359 N -2.35 -0.57 0.12 0.53 3.41 -1.26 -3.49 113.62 110.00 3drg n SER 359 Ca -0.04 -1.59 0.12 0.00 -0.26 0.00 0.00 58.87 57.09 3drg n SER 359 Cb 0.58 1.01 0.05 0.00 -0.26 0.00 0.00 64.21 65.59 3drg n SER 359 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3drg h LEU 360 N 0.00 0.00 -8.94 1.04 3.38 -1.96 -3.46 115.31 105.37 3drg h LEU 360 Ca -0.10 -0.02 -0.62 0.00 0.09 0.00 0.00 57.88 57.23 3drg h LEU 360 Cb 0.40 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.02 3drg h LEU 360 CO 0.13 0.01 0.01 -0.63 0.09 0.00 0.00 178.44 178.05 3drg s ILE 361 N -3.32 5.05 0.67 1.22 1.09 -1.26 -4.98 121.20 119.66 3drg s ILE 361 Ca 0.02 0.84 -0.14 0.00 -1.10 0.00 0.00 60.65 60.27 3drg s ILE 361 Cb 0.09 -3.86 0.00 0.00 -1.06 0.00 0.00 42.46 37.63 3drg s ILE 361 CO 0.76 0.03 1.09 -2.84 -0.10 0.00 0.00 174.94 173.89 3drg s PRO 362 N 2.36 2.83 0.62 2.79 0.02 -1.26 -4.88 135.00 137.48 3drg s PRO 362 Ca 0.22 1.27 0.32 0.00 0.02 0.00 0.00 61.00 62.82 3drg s PRO 362 Cb -0.16 -1.96 1.75 0.00 0.02 0.00 0.00 34.50 34.15 3drg s PRO 362 CO 0.10 -1.21 2.07 -1.35 -0.33 0.00 0.00 177.00 176.28 3drg h PRO 363 N -0.16 0.00 -0.99 5.54 0.11 -1.93 -2.39 132.00 132.17 3drg h PRO 363 Ca -0.46 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.69 3drg h PRO 363 Cb 1.23 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.29 3drg h PRO 363 CO 0.55 0.00 0.65 0.97 -0.21 0.00 0.00 178.00 179.95 3drg h ILE 364 N 0.00 1.16 -1.53 4.15 2.10 -1.91 -2.43 117.51 119.05 3drg h ILE 364 Ca 0.07 -0.42 -0.76 0.00 1.08 0.00 0.00 64.86 64.82 3drg h ILE 364 Cb 0.54 -0.18 -0.16 0.00 -1.09 0.00 0.00 36.82 35.93 3drg h ILE 364 CO -0.00 0.23 1.97 0.49 -1.08 0.00 0.00 178.15 179.75 3drg n PHE 365 N -4.44 2.71 0.02 2.19 3.72 -0.90 -4.82 117.46 115.94 3drg n PHE 365 Ca 0.14 -2.76 0.12 0.00 -0.05 0.00 0.00 57.45 54.90 3drg n PHE 365 Cb 0.11 -1.78 0.57 0.00 -0.94 0.00 0.00 39.48 37.43 3drg n PHE 365 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3drg h LYS 366 N 5.22 0.22 -0.52 -1.08 3.64 -1.63 -2.03 116.57 120.40 3drg h LYS 366 Ca 0.49 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.87 3drg h LYS 366 Cb 0.50 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.24 3drg h LYS 366 CO 1.52 0.15 0.34 0.37 -2.27 0.00 0.00 179.45 179.56 3drg h GLN 367 N 0.23 0.62 -0.42 1.90 4.15 -1.88 -2.95 115.11 116.76 3drg h GLN 367 Ca 0.20 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.51 3drg h GLN 367 Cb 0.49 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 28.00 3drg h GLN 367 CO -0.04 0.41 0.05 1.19 -1.93 0.00 0.00 178.83 178.51 3drg n PHE 368 N -4.47 1.44 -4.16 3.99 3.72 -0.76 -4.96 117.46 112.27 3drg n PHE 368 Ca 0.05 -1.03 -0.32 0.00 -0.05 0.00 0.00 57.45 56.11 3drg n PHE 368 Cb 0.10 -0.45 -0.08 0.00 -0.94 0.00 0.00 39.48 38.12 3drg n PHE 368 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 3drg s THR 369 N -2.92 4.35 -0.02 4.37 -4.23 -1.12 -4.82 115.64 111.25 3drg s THR 369 Ca 0.47 -0.65 0.00 0.00 -1.18 0.00 0.00 61.69 60.33 3drg s THR 369 Cb 0.38 -3.01 0.03 0.00 1.34 0.00 0.00 72.50 71.24 3drg s THR 369 CO 0.10 0.27 0.02 -0.55 -0.54 0.00 0.00 174.62 173.92 3drg s SER 370 N -1.91 0.18 0.44 3.99 0.15 -1.26 -5.01 113.70 110.28 3drg s SER 370 Ca 0.23 0.02 0.30 0.00 0.70 0.00 0.00 55.95 57.20 3drg s SER 370 Cb -0.12 -0.11 1.18 0.00 -1.71 0.00 0.00 66.02 65.26 3drg s SER 370 CO 0.15 -0.11 1.87 0.77 1.20 0.00 0.00 173.24 177.12 3drg h SER 371 N 7.23 0.00 -0.05 5.45 4.64 -2.00 -2.92 113.55 125.89 3drg h SER 371 Ca -0.44 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.85 3drg h SER 371 Cb 1.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 3drg h SER 371 CO 0.48 0.00 -0.03 -1.28 -0.87 0.00 0.00 176.83 175.13 3drg h SER 372 N 0.00 0.21 -2.65 4.97 0.87 -2.04 -3.41 113.55 111.50 3drg h SER 372 Ca 0.00 -0.03 -0.55 0.00 -1.23 0.00 0.00 61.79 59.99 3drg h SER 372 Cb 0.50 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.36 3drg h SER 372 CO 0.00 0.28 1.20 -0.69 -0.53 0.00 0.00 176.83 177.09 3drg s VAL 373 N -4.93 3.62 -0.05 2.23 1.01 -1.10 -4.98 120.40 116.19 3drg s VAL 373 Ca -0.06 0.55 -0.19 0.00 0.00 0.00 0.00 61.98 62.28 3drg s VAL 373 Cb 0.16 -4.08 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 3drg s VAL 373 CO 0.72 -0.85 0.53 -0.54 0.00 0.00 0.00 175.10 174.96 3drg s LYS 374 N 5.83 4.28 0.00 2.72 -0.14 -1.26 -4.78 119.74 126.39 3drg s LYS 374 Ca 0.64 0.59 0.00 0.00 -1.36 0.00 0.00 55.97 55.85 3drg s LYS 374 Cb -0.15 -3.37 0.00 0.00 -1.68 0.00 0.00 37.83 32.64 3drg s LYS 374 CO 0.27 0.32 0.00 0.41 -0.76 0.00 0.00 175.35 175.59 3drg n GLY 375 N 2.70 2.88 0.49 -3.33 0.00 -1.23 -5.01 105.19 101.70 3drg n GLY 375 Ca -0.08 -0.22 0.07 0.00 0.00 0.00 0.00 46.02 45.79 3drg n GLY 375 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3drg n TYR 376 N 0.00 0.09 0.28 1.61 4.01 -1.26 -4.73 117.16 117.15 3drg n TYR 376 Ca 0.00 -1.35 0.16 0.00 -0.16 0.00 0.00 57.90 56.55 3drg n TYR 376 Cb 0.00 -0.24 0.60 0.00 -0.31 0.00 0.00 39.34 39.39 3drg n TYR 376 CO 0.00 0.00 0.00 1.05 -0.46 0.00 0.00 176.86 177.45 3drg h GLU 377 N 0.74 0.00 -5.28 -0.72 9.09 -1.89 -3.42 114.58 113.09 3drg h GLU 377 Ca 0.01 0.00 -0.68 0.00 0.05 0.00 0.00 59.36 58.75 3drg h GLU 377 Cb 1.05 0.00 -0.33 0.00 -1.65 0.00 0.00 28.75 27.82 3drg h GLU 377 CO 0.03 0.00 -0.87 0.21 0.05 0.00 0.00 179.01 178.43 3drg s LYS 378 N -3.58 3.05 0.20 1.06 2.20 -1.26 -4.45 119.74 116.96 3drg s LYS 378 Ca 0.02 -0.87 -0.30 0.00 -0.36 0.00 0.00 55.97 54.46 3drg s LYS 378 Cb 0.08 -2.36 -0.09 0.00 -1.51 0.00 0.00 37.83 33.95 3drg s LYS 378 CO 0.56 0.10 1.35 -1.14 -0.36 0.00 0.00 175.35 175.86 3drg s GLN 379 N 0.53 4.35 -0.35 4.03 0.74 -1.26 -4.96 119.66 122.74 3drg s GLN 379 Ca -0.14 2.12 -0.00 0.00 0.05 0.00 0.00 55.36 57.39 3drg s GLN 379 Cb -0.17 -3.18 0.13 0.00 1.10 0.00 0.00 33.01 30.90 3drg s GLN 379 CO 0.05 -0.32 0.20 0.34 -0.55 0.00 0.00 175.29 175.01 3drg s ASP 380 N 0.43 3.08 0.23 6.67 3.68 -0.49 -5.00 116.67 125.27 3drg s ASP 380 Ca 0.58 -2.09 -0.01 0.00 2.13 0.00 0.00 52.55 53.16 3drg s ASP 380 Cb -0.38 -0.42 0.25 0.00 -1.45 0.00 0.00 42.92 40.92 3drg s ASP 380 CO 0.39 -0.33 1.63 -0.07 0.13 0.00 0.00 175.17 176.92 3drg h LEU 381 N 7.19 0.62 -0.23 -1.34 3.38 -1.92 -2.47 115.31 120.55 3drg h LEU 381 Ca 0.02 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 3drg h LEU 381 Cb 0.97 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 3drg h LEU 381 CO 0.30 0.90 0.06 0.44 0.09 0.00 0.00 178.44 180.23 3drg h ASP 382 N 0.51 0.35 -0.46 -0.43 3.32 -1.94 -1.60 116.42 116.17 3drg h ASP 382 Ca 0.06 -0.23 -0.08 0.00 0.02 0.00 0.00 57.03 56.80 3drg h ASP 382 Cb 0.81 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.24 3drg h ASP 382 CO 0.07 0.48 -0.01 0.50 -1.72 0.00 0.00 179.24 178.56 3drg h LYS 383 N 0.19 0.89 -0.11 3.56 3.64 -1.97 -1.65 116.57 121.12 3drg h LYS 383 Ca 0.07 -0.26 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 3drg h LYS 383 Cb 0.27 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 3drg h LYS 383 CO 0.00 0.89 0.06 0.00 -2.27 0.00 0.00 179.45 178.13 3drg h ALA 384 N 1.16 0.13 -0.52 5.00 0.00 -1.30 0.48 119.26 124.22 3drg h ALA 384 Ca 0.15 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3drg h ALA 384 Cb 0.51 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 3drg h ALA 384 CO 0.03 -0.39 0.31 -0.91 0.00 0.00 0.00 179.25 178.29 3drg h ASN 385 N 0.13 0.63 -0.29 0.00 2.35 -1.19 -2.38 115.58 114.83 3drg h ASN 385 Ca 0.04 -0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 3drg h ASN 385 Cb -0.00 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.19 3drg h ASN 385 CO -0.02 0.50 0.15 0.50 -1.65 0.00 0.00 177.43 176.91 3drg h LYS 386 N 0.69 0.40 -1.01 0.81 3.64 -1.08 0.14 116.57 120.17 3drg h LYS 386 Ca 0.19 -0.05 0.05 0.00 -1.27 0.00 0.00 60.65 59.56 3drg h LYS 386 Cb -0.00 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 31.68 3drg h LYS 386 CO -0.03 0.36 0.66 -0.07 -2.27 0.00 0.00 179.45 178.10 3drg h LEU 387 N 0.34 1.08 -0.54 5.20 3.38 -0.83 0.26 115.31 124.20 3drg h LEU 387 Ca 0.10 -0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.91 3drg h LEU 387 Cb 0.08 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3drg h LEU 387 CO -0.01 0.73 -0.56 -0.07 0.09 0.00 0.00 178.44 178.61 3drg h LEU 388 N 1.24 0.55 0.86 1.67 3.38 -1.16 -3.13 115.31 118.73 3drg h LEU 388 Ca 0.41 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 3drg h LEU 388 Cb 0.05 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.65 3drg h LEU 388 CO -0.14 1.00 -0.42 0.44 0.09 0.00 0.00 178.44 179.41 3drg h ASP 389 N 0.38 -0.98 0.00 -0.43 3.32 0.21 -2.57 116.42 116.35 3drg h ASP 389 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3drg h ASP 389 Cb 1.10 0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.90 3drg h ASP 389 CO 0.10 -0.63 0.00 -1.84 -1.72 0.00 0.00 179.24 175.15 3drg n GLU 390 N -5.54 0.53 -0.04 3.56 0.28 -0.01 -2.34 120.64 117.08 3drg n GLU 390 Ca -0.14 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 56.86 3drg n GLU 390 Cb 0.46 -1.06 -0.12 0.00 1.43 0.00 0.00 31.44 32.15 3drg n GLU 390 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 3drg n ASP 391 N -0.56 1.45 0.00 -1.84 2.03 -1.16 -5.02 116.55 111.45 3drg n ASP 391 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 3drg n ASP 391 Cb 0.01 1.31 0.00 0.00 -0.72 0.00 0.00 41.12 41.71 3drg n ASP 391 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3drg n GLY 392 N 1.85 0.52 3.39 0.27 0.00 -0.99 -5.10 105.19 105.14 3drg n GLY 392 Ca -0.13 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.45 3drg n GLY 392 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3drg s TRP 393 N -1.47 3.05 -0.12 1.61 0.52 -0.98 -4.67 118.94 116.89 3drg s TRP 393 Ca 0.00 -0.88 -0.15 0.00 0.02 0.00 0.00 56.10 55.09 3drg s TRP 393 Cb 0.00 -3.81 -0.05 0.00 -1.15 0.00 0.00 33.47 28.47 3drg s TRP 393 CO 0.00 -1.16 0.35 -1.59 0.02 0.00 0.00 176.95 174.56 3drg s LYS 394 N 2.49 4.16 0.18 4.98 -2.85 -1.06 -4.23 119.74 123.41 3drg s LYS 394 Ca 0.11 0.23 -0.31 0.00 -1.00 0.00 0.00 55.97 55.00 3drg s LYS 394 Cb -0.23 -3.37 -0.09 0.00 -2.06 0.00 0.00 37.83 32.07 3drg s LYS 394 CO 0.07 0.34 1.44 -1.17 0.10 0.00 0.00 175.35 176.13 3drg s LEU 395 N 0.12 4.38 -0.19 2.77 2.96 -1.26 -1.22 118.68 126.24 3drg s LEU 395 Ca 0.20 2.52 -0.22 0.00 -0.22 0.00 0.00 54.13 56.41 3drg s LEU 395 Cb -0.14 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 42.92 3drg s LEU 395 CO 0.07 -0.70 0.68 0.21 -1.32 0.00 0.00 176.35 175.30 3drg s ASN 396 N 0.77 6.76 0.39 3.68 3.84 -0.86 -4.93 114.94 124.59 3drg s ASN 396 Ca 0.63 0.93 0.07 0.00 0.21 0.00 0.00 52.86 54.70 3drg s ASN 396 Cb -0.40 -2.38 0.78 0.00 -0.55 0.00 0.00 41.25 38.70 3drg s ASN 396 CO 0.36 -0.30 1.97 0.11 -2.79 0.00 0.00 177.10 176.44 3drg h LYS 397 N 7.42 0.42 0.19 0.43 1.79 -1.94 -0.60 116.57 124.29 3drg h LYS 397 Ca -0.31 -0.06 -0.01 0.00 -2.18 0.00 0.00 60.65 58.09 3drg h LYS 397 Cb 1.14 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 3drg h LYS 397 CO 0.79 0.41 -0.09 0.77 -1.08 0.00 0.00 179.45 180.24 3drg h SER 398 N 0.42 -0.22 0.51 0.86 0.02 -1.96 -3.38 113.55 109.79 3drg h SER 398 Ca 0.10 0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 60.89 3drg h SER 398 Cb 0.19 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 3drg h SER 398 CO -0.00 0.14 -0.75 0.71 -1.14 0.00 0.00 176.83 175.79 3drg h THR 399 N -0.86 1.45 0.00 -2.27 1.35 -2.00 -3.47 112.91 107.11 3drg h THR 399 Ca -0.03 -2.34 0.00 0.00 -0.55 0.00 0.00 66.41 63.49 3drg h THR 399 Cb 0.20 2.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 3drg h THR 399 CO 0.04 0.68 0.00 0.61 -0.25 0.00 0.00 175.52 176.61 3drg n GLY 400 N 0.59 0.61 3.15 5.82 0.00 -0.23 -5.06 105.19 110.06 3drg n GLY 400 Ca -0.03 -0.42 -0.20 0.00 0.00 0.00 0.00 46.02 45.38 3drg n GLY 400 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3drg s TYR 401 N -2.00 1.23 0.47 1.61 2.02 -1.25 -4.48 117.35 114.95 3drg s TYR 401 Ca 0.00 -0.37 -0.22 0.00 -0.37 0.00 0.00 57.07 56.12 3drg s TYR 401 Cb 0.00 -0.72 -0.08 0.00 -0.40 0.00 0.00 41.96 40.76 3drg s TYR 401 CO 0.00 0.04 1.10 1.03 -1.57 0.00 0.00 175.55 176.15 3drg s ARG 402 N -1.21 3.78 0.05 -0.62 0.52 -0.24 -2.02 118.95 119.22 3drg s ARG 402 Ca 0.01 1.59 0.02 0.00 -0.52 0.00 0.00 55.73 56.82 3drg s ARG 402 Cb -0.08 -2.29 -0.03 0.00 0.52 0.00 0.00 34.95 33.07 3drg s ARG 402 CO 0.01 -0.49 -0.07 -1.21 0.02 0.00 0.00 175.30 173.57 3drg s GLU 403 N -2.89 0.58 -0.14 3.54 2.02 -0.36 -1.53 118.70 119.93 3drg s GLU 403 Ca 0.65 -0.91 -0.07 0.00 0.02 0.00 0.00 54.97 54.66 3drg s GLU 403 Cb -0.23 -0.19 0.05 0.00 0.10 0.00 0.00 34.13 33.86 3drg s GLU 403 CO 0.28 0.01 0.33 0.21 0.02 0.00 0.00 175.26 176.11 3drg s LYS 404 N -2.24 0.30 -1.95 1.61 2.20 -0.59 -2.57 119.74 116.49 3drg s LYS 404 Ca -0.05 0.68 0.00 0.00 -0.36 0.00 0.00 55.97 56.24 3drg s LYS 404 Cb -0.05 -0.06 0.00 0.00 -1.51 0.00 0.00 37.83 36.21 3drg s LYS 404 CO -0.02 -0.17 0.00 -0.25 -0.36 0.00 0.00 175.35 174.56 3drg n ASP 405 N 4.31 -4.99 0.00 1.43 8.00 -1.26 -0.73 116.55 123.32 3drg n ASP 405 Ca -0.23 0.46 0.00 0.00 0.71 0.00 0.00 54.79 55.72 3drg n ASP 405 Cb 0.54 -4.41 0.00 0.00 -0.02 0.00 0.00 41.12 37.23 3drg n ASP 405 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3drg n GLY 406 N -0.32 1.86 3.66 0.44 0.00 -1.26 -5.02 105.19 104.56 3drg n GLY 406 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 3drg n GLY 406 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3drg s LYS 407 N -0.27 4.29 0.31 1.61 2.20 0.10 -5.04 119.74 122.93 3drg s LYS 407 Ca 0.00 1.22 -0.28 0.00 -0.36 0.00 0.00 55.97 56.56 3drg s LYS 407 Cb 0.00 -3.61 -0.09 0.00 -1.51 0.00 0.00 37.83 32.62 3drg s LYS 407 CO 0.00 -0.48 1.01 -2.00 -0.36 0.00 0.00 175.35 173.52 3drg s GLU 408 N 2.66 4.58 -1.26 4.03 2.12 -1.26 -1.54 118.70 128.03 3drg s GLU 408 Ca 0.42 1.55 -0.19 0.00 0.36 0.00 0.00 54.97 57.11 3drg s GLU 408 Cb -0.16 -2.98 0.01 0.00 0.26 0.00 0.00 34.13 31.26 3drg s GLU 408 CO 0.10 0.23 1.83 -0.11 -0.54 0.00 0.00 175.26 176.77 3drg n LEU 409 N 0.85 4.44 -4.32 2.70 7.94 -0.58 -4.92 117.00 123.10 3drg n LEU 409 Ca 0.01 -3.68 -0.34 0.00 -1.11 0.00 0.00 56.01 50.89 3drg n LEU 409 Cb 0.48 -1.73 -0.14 0.00 0.53 0.00 0.00 43.42 42.56 3drg n LEU 409 CO 0.49 -0.42 -0.42 -0.55 -1.11 0.00 0.00 177.39 175.38 3drg s SER 410 N 4.88 4.11 0.17 1.96 0.15 -1.26 -1.75 113.70 121.96 3drg s SER 410 Ca 0.58 -0.38 0.08 0.00 0.70 0.00 0.00 55.95 56.93 3drg s SER 410 Cb 0.03 -1.67 -0.04 0.00 -1.71 0.00 0.00 66.02 62.63 3drg s SER 410 CO 0.09 0.06 -0.16 -0.76 1.20 0.00 0.00 173.24 173.67 3drg s LEU 411 N 0.99 2.47 -0.19 3.45 1.43 0.41 -5.01 118.68 122.23 3drg s LEU 411 Ca -0.01 -0.90 -0.06 0.00 -1.03 0.00 0.00 54.13 52.13 3drg s LEU 411 Cb -0.15 -0.72 -0.03 0.00 0.03 0.00 0.00 46.19 45.32 3drg s LEU 411 CO -0.01 -0.10 0.03 -0.69 0.23 0.00 0.00 176.35 175.81 3drg s VAL 412 N -2.34 4.37 -0.36 -1.59 1.01 -1.26 -2.43 120.40 117.80 3drg s VAL 412 Ca 0.16 -0.18 -0.07 0.00 0.00 0.00 0.00 61.98 61.89 3drg s VAL 412 Cb -0.04 -2.97 0.04 0.00 0.00 0.00 0.00 36.38 33.41 3drg s VAL 412 CO 0.06 0.44 0.14 -0.47 0.00 0.00 0.00 175.10 175.27 3drg s TYR 413 N 0.65 3.27 -1.27 5.22 5.04 0.51 -0.93 117.35 129.85 3drg s TYR 413 Ca 0.01 -1.40 -0.15 0.00 -2.44 0.00 0.00 57.07 53.09 3drg s TYR 413 Cb -0.14 -2.40 0.12 0.00 0.35 0.00 0.00 41.96 39.89 3drg s TYR 413 CO 0.02 -0.74 1.64 0.00 -1.34 0.00 0.00 175.55 175.13 3drg n ALA 414 N 4.84 3.96 -1.73 3.97 0.00 0.18 -1.37 120.51 130.36 3drg n ALA 414 Ca -0.12 -4.07 -0.31 0.00 0.00 0.00 0.00 53.44 48.94 3drg n ALA 414 Cb 0.44 -3.30 0.02 0.00 0.00 0.00 0.00 19.45 16.61 3drg n ALA 414 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3drg s ALA 415 N 2.66 2.89 0.14 0.00 0.00 -1.26 -4.13 121.76 122.06 3drg s ALA 415 Ca 0.47 0.08 0.10 0.00 0.00 0.00 0.00 51.96 52.62 3drg s ALA 415 Cb 0.02 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 19.96 3drg s ALA 415 CO 0.03 -0.83 -0.23 1.03 0.00 0.00 0.00 175.76 175.75 3drg s ARG 416 N -4.81 1.55 0.41 0.00 0.52 -1.26 -0.85 118.95 114.50 3drg s ARG 416 Ca 0.58 -1.32 -0.27 0.00 -0.52 0.00 0.00 55.73 54.20 3drg s ARG 416 Cb -0.13 -1.96 -0.09 0.00 0.52 0.00 0.00 34.95 33.29 3drg s ARG 416 CO 0.49 0.45 1.40 0.08 0.02 0.00 0.00 175.30 177.74 3drg s VAL 417 N -1.18 2.27 0.00 3.52 1.01 -0.62 -4.73 120.40 120.67 3drg s VAL 417 Ca 0.16 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.39 3drg s VAL 417 Cb -0.10 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.13 3drg s VAL 417 CO 0.08 0.05 0.00 0.61 0.00 0.00 0.00 175.10 175.84 3drg n GLY 418 N 0.59 3.75 0.00 4.51 0.00 -1.26 -4.90 105.19 107.88 3drg n GLY 418 Ca 0.03 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3drg n GLY 418 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3drg n ASP 419 N 0.00 -0.22 0.15 1.61 5.68 -1.26 -4.86 116.55 117.65 3drg n ASP 419 Ca 0.00 -0.38 0.13 0.00 -0.50 0.00 0.00 54.79 54.03 3drg n ASP 419 Cb 0.00 0.00 0.50 0.00 -1.14 0.00 0.00 41.12 40.48 3drg n ASP 419 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3drg h ALA 420 N -2.00 1.00 -0.11 2.12 0.00 -2.00 -2.92 119.26 115.35 3drg h ALA 420 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3drg h ALA 420 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3drg h ALA 420 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.34 3drg n ASN 421 N -2.40 2.87 -0.18 0.00 5.03 -1.26 -4.53 115.26 114.79 3drg n ASN 421 Ca 0.02 -1.93 -0.06 0.00 0.87 0.00 0.00 54.58 53.49 3drg n ASN 421 Cb 0.28 -0.06 0.04 0.00 -1.02 0.00 0.00 39.78 39.02 3drg n ASN 421 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3drg h ALA 422 N 4.60 0.69 -0.07 5.41 0.00 -1.85 -0.30 119.26 127.74 3drg h ALA 422 Ca 0.00 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 3drg h ALA 422 Cb 0.92 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3drg h ALA 422 CO 0.00 0.08 -0.57 1.49 0.00 0.00 0.00 179.25 180.25 3drg h GLU 423 N 0.68 0.22 0.20 0.00 4.81 -1.82 -2.50 114.58 116.17 3drg h GLU 423 Ca 0.21 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3drg h GLU 423 Cb -0.03 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.37 3drg h GLU 423 CO -0.07 0.73 -0.09 1.15 -0.73 0.00 0.00 179.01 179.99 3drg h THR 424 N 0.17 0.90 -0.88 0.32 2.02 -1.75 -2.90 112.91 110.79 3drg h THR 424 Ca -0.00 -0.73 0.02 0.00 0.77 0.00 0.00 66.41 66.48 3drg h THR 424 Cb 1.05 1.31 -0.05 0.00 -1.74 0.00 0.00 68.15 68.72 3drg h THR 424 CO 0.09 0.16 0.57 0.40 0.37 0.00 0.00 175.52 177.11 3drg h ILE 425 N -0.64 1.17 -0.32 3.11 2.04 -1.08 0.14 117.51 121.94 3drg h ILE 425 Ca -0.03 -0.39 0.02 0.00 1.00 0.00 0.00 64.86 65.46 3drg h ILE 425 Cb 0.46 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.46 3drg h ILE 425 CO 0.04 0.21 0.17 0.00 0.00 0.00 0.00 178.15 178.57 3drg h ALA 426 N 1.35 0.39 -0.08 1.87 0.00 -1.51 -2.38 119.26 118.90 3drg h ALA 426 Ca 0.34 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.14 3drg h ALA 426 Cb -0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3drg h ALA 426 CO -0.10 -0.20 -0.45 0.37 0.00 0.00 0.00 179.25 178.87 3drg h GLN 427 N 0.36 0.18 -0.51 0.00 5.75 -1.23 -2.84 115.11 116.81 3drg h GLN 427 Ca 0.13 -0.09 0.08 0.00 -0.15 0.00 0.00 58.65 58.61 3drg h GLN 427 Cb 0.02 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 28.51 3drg h GLN 427 CO -0.07 0.60 0.17 -0.97 -2.65 0.00 0.00 178.83 175.91 3drg h ASN 428 N 0.15 0.15 0.03 -0.69 -0.73 -0.24 -1.61 115.58 112.63 3drg h ASN 428 Ca 0.01 0.07 -0.13 0.00 1.87 0.00 0.00 56.30 58.12 3drg h ASN 428 Cb 0.86 0.06 -0.01 0.00 0.27 0.00 0.00 38.32 39.50 3drg h ASN 428 CO 0.07 0.11 -0.43 1.88 -0.37 0.00 0.00 177.43 178.68 3drg h TYR 429 N 0.34 0.59 -0.86 0.67 0.05 -1.35 -2.95 116.97 113.46 3drg h TYR 429 Ca 0.25 -0.18 0.02 0.00 0.05 0.00 0.00 58.73 58.87 3drg h TYR 429 Cb 0.29 -0.12 -0.05 0.00 1.01 0.00 0.00 36.73 37.86 3drg h TYR 429 CO -0.18 0.85 0.56 0.82 -1.05 0.00 0.00 178.16 179.16 3drg h ILE 430 N 0.40 1.18 0.00 -2.88 2.04 -1.17 -1.00 117.51 116.09 3drg h ILE 430 Ca 0.03 -0.39 -0.08 0.00 1.00 0.00 0.00 64.86 65.42 3drg h ILE 430 Cb 0.92 -0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 3drg h ILE 430 CO 0.08 0.21 -0.40 1.56 0.00 0.00 0.00 178.15 179.60 3drg h GLN 431 N 1.13 0.00 -0.09 2.37 1.08 -1.26 -0.83 115.11 117.51 3drg h GLN 431 Ca 0.33 0.00 -0.22 0.00 -1.45 0.00 0.00 58.65 57.31 3drg h GLN 431 Cb -0.07 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.36 3drg h GLN 431 CO -0.09 0.40 -0.83 1.96 -0.95 0.00 0.00 178.83 179.32 3drg h GLN 432 N 0.00 0.61 0.00 1.46 1.08 -1.20 -2.41 115.11 114.65 3drg h GLN 432 Ca -0.00 -0.54 -0.07 0.00 -1.45 0.00 0.00 58.65 56.59 3drg h GLN 432 Cb 0.82 0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 28.36 3drg h GLN 432 CO 0.05 1.16 -0.32 -1.49 -0.95 0.00 0.00 178.83 177.28 3drg h TRP 433 N 0.39 0.00 -0.58 2.96 6.55 -1.04 -2.81 115.95 121.42 3drg h TRP 433 Ca -0.06 0.00 -0.06 0.00 0.95 0.00 0.00 58.89 59.72 3drg h TRP 433 Cb 1.45 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 29.72 3drg h TRP 433 CO 0.07 0.32 0.15 -0.22 -1.05 0.00 0.00 178.44 177.71 3drg h LYS 434 N 0.00 0.93 -0.46 0.49 1.63 -1.01 0.36 116.57 118.51 3drg h LYS 434 Ca -0.00 -0.22 -0.00 0.00 -0.85 0.00 0.00 60.65 59.57 3drg h LYS 434 Cb 0.88 -0.12 -0.02 0.00 -0.60 0.00 0.00 32.23 32.36 3drg h LYS 434 CO 0.04 0.86 0.27 0.87 -3.45 0.00 0.00 179.45 178.04 3drg h LYS 435 N 0.84 0.61 -0.01 1.90 1.57 -1.16 -2.20 116.57 118.12 3drg h LYS 435 Ca 0.18 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3drg h LYS 435 Cb 0.34 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3drg h LYS 435 CO 0.00 0.44 -0.21 0.44 -0.57 0.00 0.00 179.45 179.55 3drg n ILE 436 N -4.44 0.00 -0.82 1.86 -5.35 -1.19 -4.95 119.36 104.48 3drg n ILE 436 Ca 0.04 -0.16 0.00 0.00 -0.27 0.00 0.00 62.75 62.36 3drg n ILE 436 Cb 0.08 0.44 0.00 0.00 -1.74 0.00 0.00 39.64 38.43 3drg n ILE 436 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3drg n GLY 437 N 1.31 1.33 3.24 3.28 0.00 -0.83 -4.83 105.19 108.69 3drg n GLY 437 Ca 0.13 -0.37 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 3drg n GLY 437 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3drg s VAL 438 N -2.00 3.02 -0.39 1.61 1.01 0.12 -1.08 120.40 122.69 3drg s VAL 438 Ca 0.00 -0.82 -0.29 0.00 0.00 0.00 0.00 61.98 60.87 3drg s VAL 438 Cb 0.00 -2.46 0.02 0.00 0.00 0.00 0.00 36.38 33.94 3drg s VAL 438 CO 0.00 0.30 1.08 -0.75 0.00 0.00 0.00 175.10 175.73 3drg s LYS 439 N 1.38 3.89 -0.11 2.72 2.20 -0.72 -3.51 119.74 125.59 3drg s LYS 439 Ca 0.03 0.80 0.01 0.00 -0.36 0.00 0.00 55.97 56.45 3drg s LYS 439 Cb -0.15 -3.82 0.02 0.00 -1.51 0.00 0.00 37.83 32.37 3drg s LYS 439 CO -0.05 -1.11 -0.13 0.08 -0.36 0.00 0.00 175.35 173.78 3drg s VAL 440 N 3.97 1.40 0.18 4.02 1.01 -1.26 -0.45 120.40 129.28 3drg s VAL 440 Ca 0.46 -0.56 0.11 0.00 0.00 0.00 0.00 61.98 61.98 3drg s VAL 440 Cb -0.10 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 3drg s VAL 440 CO 0.23 0.42 -0.25 -0.94 0.00 0.00 0.00 175.10 174.57 3drg s SER 441 N 1.19 3.41 0.45 3.32 1.04 -1.02 -4.95 113.70 117.14 3drg s SER 441 Ca -0.03 -0.84 -0.23 0.00 0.48 0.00 0.00 55.95 55.33 3drg s SER 441 Cb -0.14 -0.25 -0.08 0.00 0.10 0.00 0.00 66.02 65.65 3drg s SER 441 CO -0.04 0.13 1.11 -0.76 0.98 0.00 0.00 173.24 174.67 3drg s LEU 442 N -2.55 4.03 -0.15 2.42 1.43 -1.26 -0.36 118.68 122.25 3drg s LEU 442 Ca 0.19 2.18 -0.29 0.00 -1.03 0.00 0.00 54.13 55.18 3drg s LEU 442 Cb -0.08 -4.26 -0.05 0.00 0.03 0.00 0.00 46.19 41.82 3drg s LEU 442 CO 0.09 -0.78 1.86 -0.47 0.23 0.00 0.00 176.35 177.28 3drg s TYR 443 N -1.63 1.65 -1.85 0.29 5.04 -0.47 -2.30 117.35 118.09 3drg s TYR 443 Ca 0.62 0.26 0.00 0.00 -2.44 0.00 0.00 57.07 55.52 3drg s TYR 443 Cb -0.25 -4.03 0.00 0.00 0.35 0.00 0.00 41.96 38.02 3drg s TYR 443 CO 0.31 -3.95 0.00 0.09 -1.34 0.00 0.00 175.55 170.66 3drg n ASN 444 N 8.95 -4.64 0.00 4.32 3.02 -1.26 -2.62 115.26 123.03 3drg n ASN 444 Ca 0.22 0.42 0.00 0.00 -0.03 0.00 0.00 54.58 55.19 3drg n ASN 444 Cb 0.44 -4.16 0.00 0.00 -0.61 0.00 0.00 39.78 35.45 3drg n ASN 444 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3drg n GLY 445 N -0.35 0.49 3.31 7.41 0.00 -0.97 -4.99 105.19 110.08 3drg n GLY 445 Ca -0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 3drg n GLY 445 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3drg s LYS 446 N -0.36 0.89 0.49 1.61 -2.85 -1.08 -4.99 119.74 113.45 3drg s LYS 446 Ca 0.00 -0.38 -0.23 0.00 -1.00 0.00 0.00 55.97 54.36 3drg s LYS 446 Cb 0.00 0.39 -0.07 0.00 -2.06 0.00 0.00 37.83 36.10 3drg s LYS 446 CO 0.00 -0.30 1.28 -0.51 0.10 0.00 0.00 175.35 175.92 3drg s LEU 447 N -1.98 3.98 -0.08 2.77 1.02 -1.26 -4.47 118.68 118.66 3drg s LEU 447 Ca -0.06 2.58 -0.19 0.00 0.02 0.00 0.00 54.13 56.49 3drg s LEU 447 Cb -0.01 -4.18 -0.05 0.00 0.02 0.00 0.00 46.19 41.97 3drg s LEU 447 CO -0.02 -1.19 0.50 -0.32 0.02 0.00 0.00 176.35 175.34 3drg s MET 448 N -2.69 4.30 0.40 1.70 1.75 -0.03 -4.70 119.30 120.03 3drg s MET 448 Ca 0.66 0.52 -0.25 0.00 -1.25 0.00 0.00 55.69 55.37 3drg s MET 448 Cb -0.36 -3.40 -0.08 0.00 2.84 0.00 0.00 34.83 33.83 3drg s MET 448 CO 0.44 0.25 1.18 -2.00 -0.65 0.00 0.00 175.02 174.23 3drg s GLU 449 N 0.31 4.04 0.12 4.11 -6.30 -1.26 -1.58 118.70 118.13 3drg s GLU 449 Ca 0.27 1.85 -0.20 0.00 -2.50 0.00 0.00 54.97 54.39 3drg s GLU 449 Cb -0.16 -2.67 -0.07 0.00 0.00 0.00 0.00 34.13 31.23 3drg s GLU 449 CO 0.12 -0.34 1.75 0.35 0.02 0.00 0.00 175.26 177.17 3drg h PHE 450 N 2.61 0.13 -0.44 5.30 3.57 -1.95 -0.63 116.94 125.54 3drg h PHE 450 Ca -0.49 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.00 3drg h PHE 450 Cb 1.24 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.92 3drg h PHE 450 CO 0.55 0.08 0.18 -0.91 -2.23 0.00 0.00 178.31 175.98 3drg h ASN 451 N 0.16 0.59 1.26 0.41 2.35 -1.95 -1.80 115.58 116.61 3drg h ASN 451 Ca 0.07 -0.16 -0.05 0.00 -0.55 0.00 0.00 56.30 55.61 3drg h ASN 451 Cb 0.02 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.23 3drg h ASN 451 CO -0.05 0.59 -0.26 0.77 -1.65 0.00 0.00 177.43 176.83 3drg h SER 452 N 0.56 0.00 -0.09 5.81 4.64 -1.95 -2.98 113.55 119.54 3drg h SER 452 Ca 0.15 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.45 3drg h SER 452 Cb 0.17 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.26 3drg h SER 452 CO -0.01 0.26 -0.02 -0.25 -0.87 0.00 0.00 176.83 175.93 3drg h TRP 453 N 0.00 0.19 -0.57 4.77 7.01 -0.80 -2.34 115.95 124.21 3drg h TRP 453 Ca -0.00 -0.04 0.04 0.00 2.11 0.00 0.00 58.89 60.99 3drg h TRP 453 Cb 0.96 -0.05 -0.04 0.00 -2.10 0.00 0.00 29.16 27.93 3drg h TRP 453 CO 0.00 0.50 0.33 0.28 -2.79 0.00 0.00 178.44 176.75 3drg h VAL 454 N -0.16 1.02 -0.29 2.65 2.07 -1.32 -1.66 116.25 118.57 3drg h VAL 454 Ca 0.02 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 3drg h VAL 454 Cb 0.43 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3drg h VAL 454 CO 0.01 0.12 0.05 0.44 0.02 0.00 0.00 177.57 178.20 3drg h ASP 455 N 0.63 0.38 1.42 0.57 3.32 -1.56 -1.52 116.42 119.67 3drg h ASP 455 Ca 0.24 -0.05 -0.05 0.00 0.02 0.00 0.00 57.03 57.19 3drg h ASP 455 Cb 0.08 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 3drg h ASP 455 CO -0.13 0.41 -0.26 -0.74 -1.72 0.00 0.00 179.24 176.80 3drg h HIS 456 N 0.41 0.00 0.04 4.55 2.76 -0.76 -2.93 115.15 119.22 3drg h HIS 456 Ca 0.10 0.00 -0.37 0.00 -2.20 0.00 0.00 60.37 57.90 3drg h HIS 456 Cb 0.20 0.00 -0.05 0.00 1.55 0.00 0.00 27.41 29.11 3drg h HIS 456 CO 0.01 0.26 -2.22 -1.33 -1.30 0.00 0.00 177.93 173.35 3drg n MET 457 N -3.23 0.69 0.11 5.26 2.81 -0.75 -4.42 117.12 117.58 3drg n MET 457 Ca 0.02 0.18 0.07 0.00 -1.81 0.00 0.00 57.70 56.16 3drg n MET 457 Cb 0.56 -1.62 0.01 0.00 -0.71 0.00 0.00 33.22 31.47 3drg n MET 457 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 3drg h THR 458 N 0.02 0.26 -3.37 2.03 1.35 -1.42 -3.44 112.91 108.35 3drg h THR 458 Ca -0.49 -1.44 -0.58 0.00 -0.55 0.00 0.00 66.41 63.35 3drg h THR 458 Cb 2.01 1.86 -0.07 0.00 -1.73 0.00 0.00 68.15 70.22 3drg h THR 458 CO 0.01 0.15 0.12 -0.89 -0.25 0.00 0.00 175.52 174.66 3drg s THR 459 N -3.16 5.03 0.33 6.82 2.01 -1.11 -4.97 115.64 120.59 3drg s THR 459 Ca 0.01 1.33 -0.26 0.00 0.31 0.00 0.00 61.69 63.08 3drg s THR 459 Cb 0.08 -4.00 -0.10 0.00 0.01 0.00 0.00 72.50 68.50 3drg s THR 459 CO 0.77 0.17 0.98 -2.84 -0.69 0.00 0.00 174.62 173.01 3drg s PRO 460 N 1.38 4.50 0.09 4.92 0.02 -1.26 -3.19 135.00 141.47 3drg s PRO 460 Ca 0.33 1.41 0.07 0.00 0.02 0.00 0.00 61.00 62.83 3drg s PRO 460 Cb -0.17 -2.78 -0.22 0.00 0.02 0.00 0.00 34.50 31.35 3drg s PRO 460 CO 0.14 0.19 1.19 -1.35 -0.33 0.00 0.00 177.00 176.83 3drg h PRO 461 N 3.10 0.02 0.00 5.54 0.11 -1.96 -3.48 132.00 135.32 3drg h PRO 461 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3drg h PRO 461 Cb 1.20 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3drg h PRO 461 CO 0.65 0.95 0.00 0.41 -0.21 0.00 0.00 178.00 179.80 3drg n GLY 462 N 1.39 0.38 3.78 -0.55 0.00 -1.19 0.99 105.19 109.98 3drg n GLY 462 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 3drg n GLY 462 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3drg s ALA 463 N -2.00 3.58 0.00 4.61 0.00 -1.26 -4.95 121.76 121.73 3drg s ALA 463 Ca 0.00 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.49 3drg s ALA 463 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.53 3drg s ALA 463 CO 0.00 -0.99 0.67 -1.71 0.00 0.00 0.00 175.76 173.72 3drg n ASN 464 N 0.64 1.33 -1.44 0.00 5.15 -1.26 -4.75 115.26 114.93 3drg n ASN 464 Ca 0.01 -1.34 0.06 0.00 -0.60 0.00 0.00 54.58 52.72 3drg n ASN 464 Cb 0.39 0.00 0.29 0.00 -0.53 0.00 0.00 39.78 39.94 3drg n ASN 464 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 3drg n ASP 465 N -0.17 4.22 -4.00 1.20 5.68 -1.26 -4.90 116.55 117.33 3drg n ASP 465 Ca 0.00 -2.54 -0.08 0.00 -0.50 0.00 0.00 54.79 51.67 3drg n ASP 465 Cb 0.09 -0.58 -0.10 0.00 -1.14 0.00 0.00 41.12 39.39 3drg n ASP 465 CO 0.00 0.00 0.00 -1.66 -1.33 0.00 0.00 177.20 174.21 3drg s TRP 466 N -2.08 0.33 0.00 2.11 1.48 -1.26 -4.94 118.94 114.58 3drg s TRP 466 Ca 0.40 -0.71 0.00 0.00 -1.06 0.00 0.00 56.10 54.73 3drg s TRP 466 Cb 0.29 -0.24 0.00 0.00 -1.16 0.00 0.00 33.47 32.36 3drg s TRP 466 CO 0.15 -0.32 0.00 -0.25 -4.06 0.00 0.00 176.95 172.47 3drg n ASP 467 N 0.76 1.84 -4.16 -2.66 8.00 -0.20 -4.67 116.55 115.46 3drg n ASP 467 Ca -0.19 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.03 3drg n ASP 467 Cb 0.58 0.00 -0.17 0.00 -0.02 0.00 0.00 41.12 41.52 3drg n ASP 467 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3drg s ILE 468 N -1.97 1.67 0.23 0.53 1.01 -0.10 -1.32 121.20 121.25 3drg s ILE 468 Ca 0.00 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.84 3drg s ILE 468 Cb 0.00 -1.45 -0.04 0.00 0.01 0.00 0.00 42.46 40.98 3drg s ILE 468 CO 0.00 0.47 0.17 0.28 0.00 0.00 0.00 174.94 175.86 3drg s THR 469 N 0.27 0.00 -0.17 2.92 -1.32 -0.79 0.49 115.64 117.03 3drg s THR 469 Ca -0.12 -1.99 -0.00 0.00 -1.21 0.00 0.00 61.69 58.37 3drg s THR 469 Cb -0.15 -2.50 0.00 0.00 -1.51 0.00 0.00 72.50 68.34 3drg s THR 469 CO 0.05 0.00 -0.14 -1.81 -2.21 0.00 0.00 174.62 170.51 3drg s ASP 470 N -3.20 3.70 -0.17 8.08 1.01 -1.26 -0.27 116.67 124.56 3drg s ASP 470 Ca 0.39 -0.48 -0.07 0.00 0.71 0.00 0.00 52.55 53.10 3drg s ASP 470 Cb 0.06 -1.58 -0.04 0.00 1.01 0.00 0.00 42.92 42.36 3drg s ASP 470 CO 0.15 0.05 0.07 -0.83 0.21 0.00 0.00 175.17 174.82 3drg s GLY 471 N 1.03 1.94 -0.09 0.21 0.00 0.60 -4.96 107.32 106.04 3drg s GLY 471 Ca -0.01 -0.73 0.04 0.00 0.00 0.00 0.00 44.72 44.02 3drg s GLY 471 CO -0.03 -0.05 -0.22 -1.35 0.00 0.00 0.00 173.10 171.44 3drg s SER 472 N 0.07 2.90 -0.05 1.64 1.04 -1.26 -0.40 113.70 117.64 3drg s SER 472 Ca 0.06 -0.52 0.06 0.00 0.48 0.00 0.00 55.95 56.03 3drg s SER 472 Cb -0.12 -1.26 -0.01 0.00 0.10 0.00 0.00 66.02 64.73 3drg s SER 472 CO 0.01 0.15 -0.24 0.26 0.98 0.00 0.00 173.24 174.40 3drg s TRP 473 N 0.32 2.32 -0.92 5.02 0.52 -0.54 -5.01 118.94 120.64 3drg s TRP 473 Ca -0.16 -0.66 -0.19 0.00 0.02 0.00 0.00 56.10 55.10 3drg s TRP 473 Cb -0.17 -1.52 0.12 0.00 -1.15 0.00 0.00 33.47 30.75 3drg s TRP 473 CO 0.08 -0.19 1.15 -1.12 0.02 0.00 0.00 176.95 176.88 3drg s SER 474 N -0.18 6.58 0.82 2.95 0.01 -1.26 -3.12 113.70 119.50 3drg s SER 474 Ca -0.02 -1.90 -0.12 0.00 1.31 0.00 0.00 55.95 55.21 3drg s SER 474 Cb -0.13 -2.42 0.09 0.00 0.21 0.00 0.00 66.02 63.77 3drg s SER 474 CO 0.03 -1.14 1.16 -0.76 0.41 0.00 0.00 173.24 172.95 3drg s LEU 475 N 3.03 3.07 0.58 2.44 1.43 -0.92 -4.97 118.68 123.34 3drg s LEU 475 Ca 0.33 2.21 -0.20 0.00 -1.03 0.00 0.00 54.13 55.44 3drg s LEU 475 Cb -0.05 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.56 3drg s LEU 475 CO -0.08 -2.62 1.33 0.00 0.23 0.00 0.00 176.35 175.22 3drg n ALA 476 N -3.52 1.43 1.07 4.21 0.00 -1.26 -4.88 120.51 117.56 3drg n ALA 476 Ca 0.12 0.08 0.06 0.00 0.00 0.00 0.00 53.44 53.71 3drg n ALA 476 Cb 0.51 -2.34 0.36 0.00 0.00 0.00 0.00 19.45 17.98 3drg n ALA 476 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3drg n SER 477 N -1.29 0.00 -4.21 0.00 3.41 -1.26 -4.55 113.62 105.72 3drg n SER 477 Ca 0.12 -0.69 -0.31 0.00 -0.26 0.00 0.00 58.87 57.74 3drg n SER 477 Cb 0.46 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.24 3drg n SER 477 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3drg s GLU 478 N -2.00 2.77 0.57 4.33 -6.30 -1.21 -4.81 118.70 112.05 3drg s GLU 478 Ca 0.18 -0.83 0.30 0.00 -2.50 0.00 0.00 54.97 52.13 3drg s GLU 478 Cb 0.08 -2.15 1.45 0.00 0.00 0.00 0.00 34.13 33.51 3drg s GLU 478 CO 0.14 0.21 1.85 -1.00 0.02 0.00 0.00 175.26 176.48 3drg h PRO 479 N 6.59 0.00 -6.94 4.30 0.13 -1.92 -3.44 132.00 130.72 3drg h PRO 479 Ca -0.23 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.36 3drg h PRO 479 Cb 1.22 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.45 3drg h PRO 479 CO 0.47 0.00 0.75 0.45 -0.23 0.00 0.00 178.00 179.44 3drg s SER 480 N -5.27 6.35 -0.27 1.44 0.15 -1.26 -4.95 113.70 109.89 3drg s SER 480 Ca -0.04 2.99 0.09 0.00 0.70 0.00 0.00 55.95 59.68 3drg s SER 480 Cb 0.18 -2.66 0.45 0.00 -1.71 0.00 0.00 66.02 62.28 3drg s SER 480 CO 0.65 -0.86 1.30 0.00 1.20 0.00 0.00 173.24 175.53 3drg n GLN 481 N 0.43 2.31 -0.29 5.44 6.02 -1.26 -4.70 117.38 125.34 3drg n GLN 481 Ca 0.01 -3.55 -0.06 0.00 -0.01 0.00 0.00 57.00 53.39 3drg n GLN 481 Cb 0.40 -1.89 0.06 0.00 1.02 0.00 0.00 30.24 29.83 3drg n GLN 481 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 177.06 178.01 3drg h GLN 482 N 1.40 1.19 0.00 -1.09 1.08 -1.93 -2.53 115.11 113.23 3drg h GLN 482 Ca 0.19 -0.23 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 3drg h GLN 482 Cb 1.30 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 28.55 3drg h GLN 482 CO 0.38 0.98 0.00 -0.25 -0.95 0.00 0.00 178.83 178.99 3drg n ASP 483 N -4.26 0.00 -0.05 1.46 8.00 -1.26 -1.55 116.55 118.89 3drg n ASP 483 Ca 0.07 -0.77 -0.05 0.00 0.71 0.00 0.00 54.79 54.74 3drg n ASP 483 Cb 0.21 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.24 3drg n ASP 483 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3drg n LEU 484 N -0.95 1.00 0.00 0.64 4.77 -1.04 -4.72 117.00 116.70 3drg n LEU 484 Ca 0.15 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 3drg n LEU 484 Cb 0.07 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 3drg n LEU 484 CO 0.11 0.37 0.05 0.49 -1.33 0.00 0.00 177.39 177.08 3drg n PHE 485 N -2.49 0.00 -2.23 -1.77 3.72 -0.98 -2.86 117.46 110.84 3drg n PHE 485 Ca -0.16 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 56.89 3drg n PHE 485 Cb 0.76 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.31 3drg n PHE 485 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 3drg s SER 486 N -0.36 5.68 0.47 4.37 1.04 -0.59 -4.93 113.70 119.37 3drg s SER 486 Ca 0.00 2.18 0.16 0.00 0.48 0.00 0.00 55.95 58.78 3drg s SER 486 Cb 0.00 -2.58 1.15 0.00 0.10 0.00 0.00 66.02 64.69 3drg s SER 486 CO 0.00 -1.25 2.02 0.00 0.98 0.00 0.00 173.24 174.99 3drg h ALA 487 N 1.14 2.11 0.00 5.32 0.00 -1.89 -2.11 119.26 123.84 3drg h ALA 487 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3drg h ALA 487 Cb 1.26 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3drg h ALA 487 CO 0.57 -0.21 -0.34 0.00 0.00 0.00 0.00 179.25 179.27 3drg h ALA 488 N 1.77 0.80 -2.42 0.00 0.00 -1.92 0.28 119.26 117.77 3drg h ALA 488 Ca 0.21 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.55 3drg h ALA 488 Cb 0.50 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 3drg h ALA 488 CO -0.04 0.00 0.36 0.00 0.00 0.00 0.00 179.25 179.57 3drg s ALA 489 N -3.19 3.41 0.50 0.00 0.00 -0.79 -4.45 121.76 117.24 3drg s ALA 489 Ca 0.07 0.20 0.29 0.00 0.00 0.00 0.00 51.96 52.52 3drg s ALA 489 Cb 0.10 -3.23 1.67 0.00 0.00 0.00 0.00 23.12 21.66 3drg s ALA 489 CO 0.68 -0.47 2.17 -1.35 0.00 0.00 0.00 175.76 176.79 3drg h PRO 490 N 7.10 0.00 0.00 0.00 0.11 -1.75 -2.81 132.00 134.65 3drg h PRO 490 Ca -0.34 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.77 3drg h PRO 490 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3drg h PRO 490 CO 0.81 0.06 -0.02 1.88 -0.21 0.00 0.00 178.00 180.52 3drg h TYR 491 N 0.00 0.00 -0.38 0.65 -1.99 -1.85 -3.24 116.97 110.16 3drg h TYR 491 Ca -0.00 0.00 -0.61 0.00 2.00 0.00 0.00 58.73 60.12 3drg h TYR 491 Cb 0.17 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.86 3drg h TYR 491 CO 0.00 0.02 2.24 -1.71 -0.00 0.00 0.00 178.16 178.71 3drg n ASN 492 N -3.40 3.81 -0.16 3.88 2.85 -1.06 -4.79 115.26 116.39 3drg n ASN 492 Ca -0.03 -2.81 0.14 0.00 -0.11 0.00 0.00 54.58 51.78 3drg n ASN 492 Cb 0.12 -1.60 0.75 0.00 1.24 0.00 0.00 39.78 40.29 3drg n ASN 492 CO 0.00 0.00 0.00 2.22 -2.11 0.00 0.00 177.26 177.37 3drg n PHE 493 N 8.85 0.01 0.10 1.20 1.16 -1.22 -2.00 117.46 125.56 3drg n PHE 493 Ca 0.49 -0.01 0.06 0.00 -1.87 0.00 0.00 57.45 56.12 3drg n PHE 493 Cb 0.43 0.00 -0.00 0.00 -1.61 0.00 0.00 39.48 38.30 3drg n PHE 493 CO 0.00 0.00 0.00 0.78 -1.87 0.00 0.00 176.76 175.67 3drg h GLY 494 N 5.01 0.00 -4.20 4.97 0.00 -1.87 -3.47 103.07 103.51 3drg h GLY 494 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 3drg h GLY 494 CO 0.00 0.00 -0.46 1.42 0.00 0.00 0.00 176.54 177.50 3drg n HIS 495 N -2.92 -1.52 -3.03 5.60 8.25 -0.85 -0.61 115.22 120.15 3drg n HIS 495 Ca -0.03 0.60 -0.28 0.00 -0.26 0.00 0.00 57.72 57.76 3drg n HIS 495 Cb 0.69 -3.80 -0.02 0.00 1.12 0.00 0.00 29.99 27.98 3drg n HIS 495 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 3drg s PHE 496 N -3.22 3.50 -0.26 4.41 -0.12 -1.26 -3.40 117.98 117.64 3drg s PHE 496 Ca 0.12 0.76 -0.01 0.00 -0.05 0.00 0.00 56.93 57.75 3drg s PHE 496 Cb -0.05 -2.22 0.13 0.00 -0.63 0.00 0.00 43.02 40.25 3drg s PHE 496 CO 0.46 -0.02 0.33 1.21 -0.05 0.00 0.00 175.22 177.14 3drg s ASN 497 N -3.51 0.90 -0.07 1.98 3.84 -1.26 -4.83 114.94 111.98 3drg s ASN 497 Ca 0.46 -0.27 0.01 0.00 0.21 0.00 0.00 52.86 53.28 3drg s ASN 497 Cb -0.10 0.81 0.02 0.00 -0.55 0.00 0.00 41.25 41.42 3drg s ASN 497 CO 0.35 -0.34 -0.10 -0.62 -2.79 0.00 0.00 177.10 173.60 3drg s ASP 498 N 2.45 1.70 0.17 -4.21 3.68 -1.26 -4.87 116.67 114.34 3drg s ASP 498 Ca 0.10 -0.27 -0.14 0.00 2.13 0.00 0.00 52.55 54.38 3drg s ASP 498 Cb -0.14 -0.75 0.12 0.00 -1.45 0.00 0.00 42.92 40.69 3drg s ASP 498 CO -0.23 -0.02 1.76 0.28 0.13 0.00 0.00 175.17 177.09 3drg h SER 499 N 7.26 0.23 -0.30 -0.34 0.02 -2.01 -0.19 113.55 118.23 3drg h SER 499 Ca -0.32 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 60.64 3drg h SER 499 Cb 1.17 0.01 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 3drg h SER 499 CO 0.46 0.17 0.03 -0.08 -1.14 0.00 0.00 176.83 176.27 3drg h GLU 500 N 0.38 0.50 -0.64 3.45 4.81 -1.99 -1.79 114.58 119.31 3drg h GLU 500 Ca 0.21 -0.14 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 3drg h GLU 500 Cb 0.17 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 3drg h GLU 500 CO -0.19 0.62 0.21 0.82 -0.73 0.00 0.00 179.01 179.74 3drg h ILE 501 N 0.32 1.25 -0.26 2.32 1.08 -1.93 -0.81 117.51 119.47 3drg h ILE 501 Ca 0.09 -0.83 0.01 0.00 -0.39 0.00 0.00 64.86 63.74 3drg h ILE 501 Cb 0.37 0.58 -0.02 0.00 -3.07 0.00 0.00 36.82 34.68 3drg h ILE 501 CO 0.01 0.32 0.13 0.74 -0.69 0.00 0.00 178.15 178.66 3drg h THR 502 N 0.91 1.00 -0.84 -0.27 2.02 -1.00 -1.07 112.91 113.66 3drg h THR 502 Ca 0.21 -0.10 0.03 0.00 0.77 0.00 0.00 66.41 67.32 3drg h THR 502 Cb 0.28 0.70 -0.05 0.00 -1.74 0.00 0.00 68.15 67.34 3drg h THR 502 CO -0.01 0.05 0.54 0.11 0.37 0.00 0.00 175.52 176.58 3drg h LYS 503 N 0.28 1.02 -0.36 6.66 1.57 -1.04 0.20 116.57 124.91 3drg h LYS 503 Ca 0.10 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3drg h LYS 503 Cb 0.02 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.08 3drg h LYS 503 CO -0.06 0.68 0.20 -0.44 -0.57 0.00 0.00 179.45 179.25 3drg h ASP 504 N 1.05 0.44 -0.41 0.86 3.32 -0.88 0.18 116.42 120.98 3drg h ASP 504 Ca 0.34 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.28 3drg h ASP 504 Cb 0.01 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 3drg h ASP 504 CO -0.11 0.40 0.19 -0.07 -1.72 0.00 0.00 179.24 177.92 3drg h LEU 505 N 0.45 0.55 -0.68 1.55 3.38 -0.81 -1.94 115.31 117.81 3drg h LEU 505 Ca 0.13 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 3drg h LEU 505 Cb 0.05 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.64 3drg h LEU 505 CO -0.02 0.54 0.12 0.78 0.09 0.00 0.00 178.44 179.95 3drg h ASN 506 N 0.52 1.06 0.36 -0.43 2.35 -0.83 -2.98 115.58 115.63 3drg h ASN 506 Ca 0.14 -0.25 -0.07 0.00 -0.55 0.00 0.00 56.30 55.57 3drg h ASN 506 Cb 0.14 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 3drg h ASN 506 CO -0.02 1.04 -0.31 -0.78 -1.65 0.00 0.00 177.43 175.71 3drg h ASP 507 N 1.04 0.00 0.05 5.81 3.58 -0.48 -0.07 116.42 126.34 3drg h ASP 507 Ca 0.21 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 57.60 3drg h ASP 507 Cb 0.42 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 3drg h ASP 507 CO 0.01 0.31 -0.15 0.40 -2.88 0.00 0.00 179.24 176.93 3drg h ILE 508 N 0.00 1.19 -0.15 2.25 2.04 -1.20 -3.11 117.51 118.52 3drg h ILE 508 Ca -0.00 -0.83 0.00 0.00 1.00 0.00 0.00 64.86 65.03 3drg h ILE 508 Cb 0.58 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.91 3drg h ILE 508 CO 0.04 0.26 0.00 0.47 0.00 0.00 0.00 178.15 178.92 3drg n ASP 509 N -4.26 3.13 -4.05 1.72 8.00 -0.82 -4.80 116.55 115.47 3drg n ASP 509 Ca -0.01 -2.93 -0.30 0.00 0.71 0.00 0.00 54.79 52.27 3drg n ASP 509 Cb 0.28 -0.45 0.21 0.00 -0.02 0.00 0.00 41.12 41.14 3drg n ASP 509 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3drg s SER 510 N -2.19 1.88 0.37 -2.24 1.04 -0.10 -4.40 113.70 108.05 3drg s SER 510 Ca 0.35 0.60 0.10 0.00 0.48 0.00 0.00 55.95 57.48 3drg s SER 510 Cb 0.29 -0.85 0.71 0.00 0.10 0.00 0.00 66.02 66.26 3drg s SER 510 CO 0.07 -3.53 1.84 0.00 0.98 0.00 0.00 173.24 172.60 3drg h ALA 511 N -2.18 1.39 0.00 5.32 0.00 -1.90 -2.83 119.26 119.07 3drg h ALA 511 Ca -0.46 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.07 3drg h ALA 511 Cb 1.28 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3drg h ALA 511 CO 0.40 0.43 -0.39 0.87 0.00 0.00 0.00 179.25 180.56 3drg h LYS 512 N 0.11 0.00 0.00 0.00 1.57 -1.93 -3.09 116.57 113.24 3drg h LYS 512 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3drg h LYS 512 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 3drg h LYS 512 CO 0.04 0.39 0.00 0.43 -0.57 0.00 0.00 179.45 179.75 3drg n SER 513 N -3.63 0.00 0.11 0.86 7.64 -1.07 -2.14 113.62 115.39 3drg n SER 513 Ca -0.01 -1.08 0.01 0.00 1.01 0.00 0.00 58.87 58.81 3drg n SER 513 Cb 0.50 0.00 0.34 0.00 -1.01 0.00 0.00 64.21 64.04 3drg n SER 513 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3drg h GLU 514 N 0.00 0.23 -6.38 1.43 4.39 -1.66 -3.39 114.58 109.20 3drg h GLU 514 Ca 0.00 -0.07 -0.57 0.00 0.34 0.00 0.00 59.36 59.06 3drg h GLU 514 Cb 0.00 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.58 3drg h GLU 514 CO 0.00 0.45 1.04 1.21 -1.16 0.00 0.00 179.01 180.54 3drg s ASN 515 N -6.88 6.50 0.46 1.42 2.47 -0.91 -4.93 114.94 113.07 3drg s ASN 515 Ca -0.05 1.21 0.23 0.00 0.42 0.00 0.00 52.86 54.66 3drg s ASN 515 Cb 0.15 -2.54 1.12 0.00 -1.45 0.00 0.00 41.25 38.53 3drg s ASN 515 CO 0.74 -1.23 1.94 1.55 -3.72 0.00 0.00 177.10 176.39 3drg h PRO 516 N 10.07 0.00 -0.32 0.43 0.13 -1.87 -1.65 132.00 138.79 3drg h PRO 516 Ca -0.28 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.71 3drg h PRO 516 Cb 1.11 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 3drg h PRO 516 CO 1.04 0.21 -0.35 1.15 -0.23 0.00 0.00 178.00 179.83 3drg h THR 517 N 0.00 1.28 -0.26 1.56 2.02 -1.93 -1.36 112.91 114.23 3drg h THR 517 Ca -0.00 -1.50 -0.18 0.00 0.77 0.00 0.00 66.41 65.50 3drg h THR 517 Cb 0.54 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 3drg h THR 517 CO 0.03 0.49 -0.53 0.22 0.37 0.00 0.00 175.52 176.09 3drg h TYR 518 N 0.60 1.03 -0.12 3.16 3.20 -1.71 -3.14 116.97 120.00 3drg h TYR 518 Ca 0.06 -0.38 -0.10 0.00 3.14 0.00 0.00 58.73 61.45 3drg h TYR 518 Cb 0.88 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 3drg h TYR 518 CO 0.04 1.20 -0.38 -0.09 -1.64 0.00 0.00 178.16 177.29 3drg h ARG 519 N 0.58 0.25 -0.52 1.82 2.43 -1.27 -2.07 114.38 115.59 3drg h ARG 519 Ca 0.01 -0.11 0.03 0.00 -0.81 0.00 0.00 59.98 59.09 3drg h ARG 519 Cb 1.15 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.65 3drg h ARG 519 CO 0.12 0.60 0.31 -0.22 -1.51 0.00 0.00 179.97 179.26 3drg h LYS 520 N 0.21 0.59 0.00 0.20 1.63 -1.27 -1.79 116.57 116.13 3drg h LYS 520 Ca 0.02 -0.04 -0.11 0.00 -0.85 0.00 0.00 60.65 59.68 3drg h LYS 520 Cb 0.77 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.25 3drg h LYS 520 CO 0.06 0.39 -0.53 0.00 -3.45 0.00 0.00 179.45 175.92 3drg h ALA 521 N 1.24 1.04 -0.27 5.00 0.00 -1.44 -2.59 119.26 122.24 3drg h ALA 521 Ca 0.21 -0.48 -0.16 0.00 0.00 0.00 0.00 54.91 54.48 3drg h ALA 521 Cb 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3drg h ALA 521 CO -0.10 0.66 -0.47 0.00 0.00 0.00 0.00 179.25 179.34 3drg h ALA 522 N 1.47 0.67 -0.56 0.00 0.00 -1.12 -2.48 119.26 117.24 3drg h ALA 522 Ca -0.01 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.31 3drg h ALA 522 Cb 0.99 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 3drg h ALA 522 CO 0.07 0.67 -0.08 0.74 0.00 0.00 0.00 179.25 180.65 3drg h PHE 523 N 0.56 1.16 -0.48 0.00 0.04 -1.23 -2.33 116.94 114.66 3drg h PHE 523 Ca 0.03 -0.23 -0.04 0.00 2.80 0.00 0.00 57.97 60.53 3drg h PHE 523 Cb 1.03 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 38.87 3drg h PHE 523 CO 0.05 1.06 0.15 0.28 -0.60 0.00 0.00 178.31 179.25 3drg h VAL 524 N 0.93 1.23 -0.44 -0.55 2.07 -1.42 -1.04 116.25 117.03 3drg h VAL 524 Ca 0.15 -0.77 -0.03 0.00 0.82 0.00 0.00 66.70 66.87 3drg h VAL 524 Cb 0.65 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 3drg h VAL 524 CO 0.04 0.28 0.14 0.50 0.02 0.00 0.00 177.57 178.56 3drg h LYS 525 N 0.65 0.68 -0.35 1.57 3.64 -1.47 -2.09 116.57 119.20 3drg h LYS 525 Ca 0.16 -0.14 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 3drg h LYS 525 Cb 0.28 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 3drg h LYS 525 CO -0.00 0.65 0.12 -0.92 -2.27 0.00 0.00 179.45 177.03 3drg h TYR 526 N 0.57 0.22 -0.37 1.91 3.20 -1.23 0.88 116.97 122.15 3drg h TYR 526 Ca 0.14 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.94 3drg h TYR 526 Cb 0.25 -0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 3drg h TYR 526 CO 0.01 0.09 -0.13 1.96 -1.64 0.00 0.00 178.16 178.45 3drg h GLN 527 N 0.27 0.67 -0.08 1.82 4.20 -1.13 -0.15 115.11 120.72 3drg h GLN 527 Ca 0.16 -0.22 -0.18 0.00 0.06 0.00 0.00 58.65 58.47 3drg h GLN 527 Cb 0.13 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.85 3drg h GLN 527 CO -0.16 0.78 -0.71 0.93 -0.67 0.00 0.00 178.83 179.00 3drg h GLU 528 N 0.61 0.38 -0.09 1.46 5.08 -1.10 -2.63 114.58 118.28 3drg h GLU 528 Ca 0.10 -0.30 -0.22 0.00 -1.00 0.00 0.00 59.36 57.94 3drg h GLU 528 Cb 0.58 0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.90 3drg h GLU 528 CO 0.04 0.94 -0.83 -0.44 -1.00 0.00 0.00 179.01 177.71 3drg h ASP 529 N 0.26 0.79 -0.35 1.42 5.19 -0.60 -2.28 116.42 120.85 3drg h ASP 529 Ca -0.03 -0.55 -0.10 0.00 -0.62 0.00 0.00 57.03 55.74 3drg h ASP 529 Cb 1.28 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 40.53 3drg h ASP 529 CO 0.12 1.34 -0.12 0.24 -3.12 0.00 0.00 179.24 177.70 3drg h MET 530 N 0.42 0.80 -0.26 3.56 2.86 -1.07 0.27 114.93 121.51 3drg h MET 530 Ca -0.06 -0.27 -0.11 0.00 -2.06 0.00 0.00 59.70 57.19 3drg h MET 530 Cb 1.46 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 33.04 3drg h MET 530 CO 0.16 0.88 -0.32 -0.91 1.06 0.00 0.00 176.91 177.78 3drg h ASN 531 N 0.72 0.56 -0.00 1.22 2.35 -1.51 -1.63 115.58 117.29 3drg h ASN 531 Ca 0.12 -0.22 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 3drg h ASN 531 Cb 0.61 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.82 3drg h ASN 531 CO 0.04 0.85 -0.03 0.50 -1.65 0.00 0.00 177.43 177.14 3drg h LYS 532 N 0.47 0.02 -0.09 0.81 3.64 -1.14 -3.26 116.57 117.02 3drg h LYS 532 Ca 0.06 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.34 3drg h LYS 532 Cb 0.78 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 3drg h LYS 532 CO 0.06 0.76 -0.27 0.87 -2.27 0.00 0.00 179.45 178.60 3drg h LYS 533 N -0.71 0.16 -4.48 1.90 1.79 -1.04 -3.48 116.57 110.71 3drg h LYS 533 Ca -0.00 -0.05 -0.40 0.00 -2.18 0.00 0.00 60.65 58.01 3drg h LYS 533 Cb 0.77 -0.01 0.04 0.00 -1.58 0.00 0.00 32.23 31.45 3drg h LYS 533 CO 0.01 0.43 -0.60 0.00 -1.08 0.00 0.00 179.45 178.21 3drg n ALA 534 N -2.48 -0.96 -0.09 3.86 0.00 -0.61 -4.86 120.51 115.36 3drg n ALA 534 Ca -0.01 0.26 -0.06 0.00 0.00 0.00 0.00 53.44 53.63 3drg n ALA 534 Cb 0.36 -3.66 0.14 0.00 0.00 0.00 0.00 19.45 16.29 3drg n ALA 534 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3drg h TYR 535 N -1.25 0.82 -3.63 0.00 0.05 -1.92 -3.44 116.97 107.60 3drg h TYR 535 Ca -0.52 -0.15 -0.47 0.00 0.05 0.00 0.00 58.73 57.65 3drg h TYR 535 Cb 1.36 -0.21 -0.19 0.00 1.01 0.00 0.00 36.73 38.69 3drg h TYR 535 CO 0.55 0.83 -0.78 0.14 -1.05 0.00 0.00 178.16 177.84 3drg s VAL 536 N -4.78 1.49 -0.23 -2.88 -7.23 -1.26 -3.42 120.40 102.09 3drg s VAL 536 Ca -0.09 -1.67 0.02 0.00 -1.81 0.00 0.00 61.98 58.42 3drg s VAL 536 Cb 0.14 -1.55 0.05 0.00 0.56 0.00 0.00 36.38 35.59 3drg s VAL 536 CO 0.82 -0.29 -0.10 -0.63 -0.31 0.00 0.00 175.10 174.59 3drg s ILE 537 N -1.80 1.84 0.10 -0.62 -1.09 -0.31 -4.78 121.20 114.54 3drg s ILE 537 Ca 0.08 -1.32 -0.32 0.00 -2.23 0.00 0.00 60.65 56.86 3drg s ILE 537 Cb -0.07 -1.98 -0.11 0.00 -1.58 0.00 0.00 42.46 38.72 3drg s ILE 537 CO 0.04 0.03 1.82 -2.65 -1.23 0.00 0.00 174.94 172.94 3drg n PRO 538 N 4.57 2.63 0.00 2.79 -0.02 -1.26 -0.47 135.00 143.24 3drg n PRO 538 Ca -0.14 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.30 3drg n PRO 538 Cb 0.44 -2.83 0.00 0.00 -0.02 0.00 0.00 33.50 31.09 3drg n PRO 538 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 3drg n THR 539 N 4.62 0.00 -4.57 3.45 -1.04 -0.14 -4.51 114.28 112.09 3drg n THR 539 Ca 0.19 0.30 -0.22 0.00 -2.04 0.00 0.00 64.05 62.28 3drg n THR 539 Cb 0.35 -1.29 -0.14 0.00 -1.82 0.00 0.00 70.33 67.42 3drg n THR 539 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 3drg s ASN 540 N -2.81 1.81 0.01 8.00 0.01 -0.76 -0.16 114.94 121.05 3drg s ASN 540 Ca 0.00 -0.37 -0.04 0.00 -0.71 0.00 0.00 52.86 51.74 3drg s ASN 540 Cb 0.00 -0.17 -0.04 0.00 0.41 0.00 0.00 41.25 41.45 3drg s ASN 540 CO 0.00 0.13 0.23 -0.36 -1.51 0.00 0.00 177.10 175.59 3drg s PHE 541 N -0.58 3.55 0.18 2.20 0.08 -0.05 -2.32 117.98 121.05 3drg s PHE 541 Ca 0.05 0.46 0.09 0.00 0.12 0.00 0.00 56.93 57.65 3drg s PHE 541 Cb -0.07 -1.91 -0.04 0.00 -0.57 0.00 0.00 43.02 40.43 3drg s PHE 541 CO 0.00 0.61 -0.19 1.41 -0.10 0.00 0.00 175.22 176.96 3drg s MET 542 N -1.94 1.35 -0.21 0.44 1.75 -1.26 -1.56 119.30 117.87 3drg s MET 542 Ca 0.29 -1.48 -0.04 0.00 -1.25 0.00 0.00 55.69 53.21 3drg s MET 542 Cb -0.13 -1.42 -0.01 0.00 2.84 0.00 0.00 34.83 36.12 3drg s MET 542 CO 0.18 0.28 -0.04 -1.17 -0.65 0.00 0.00 175.02 173.62 3drg s LEU 543 N -2.83 2.91 0.11 4.11 2.96 -0.76 -2.37 118.68 122.82 3drg s LEU 543 Ca 0.19 -0.37 -0.22 0.00 -0.22 0.00 0.00 54.13 53.50 3drg s LEU 543 Cb -0.05 -1.74 -0.07 0.00 0.50 0.00 0.00 46.19 44.83 3drg s LEU 543 CO 0.08 -0.01 0.65 0.20 -1.32 0.00 0.00 176.35 175.96 3drg s ASN 544 N 1.39 7.20 0.08 3.68 0.01 -0.48 -4.88 114.94 121.94 3drg s ASN 544 Ca 0.05 1.42 0.07 0.00 -0.71 0.00 0.00 52.86 53.68 3drg s ASN 544 Cb -0.14 -2.42 -0.03 0.00 0.41 0.00 0.00 41.25 39.07 3drg s ASN 544 CO -0.02 0.25 -0.18 -0.72 -1.51 0.00 0.00 177.10 174.91 3drg s TYR 545 N -1.13 1.59 -0.11 2.20 -0.85 -1.26 -1.75 117.35 116.05 3drg s TYR 545 Ca 0.32 -0.42 -0.02 0.00 -0.52 0.00 0.00 57.07 56.43 3drg s TYR 545 Cb -0.21 -0.89 0.04 0.00 0.38 0.00 0.00 41.96 41.28 3drg s TYR 545 CO 0.22 0.14 0.03 0.99 -1.52 0.00 0.00 175.55 175.40 3drg s THR 546 N -1.12 0.31 -0.15 -3.49 2.01 -0.09 -4.49 115.64 108.62 3drg s THR 546 Ca 0.04 -0.03 -0.29 0.00 0.31 0.00 0.00 61.69 61.71 3drg s THR 546 Cb -0.10 -0.61 -0.01 0.00 0.01 0.00 0.00 72.50 71.79 3drg s THR 546 CO 0.03 0.08 1.23 -2.16 -0.69 0.00 0.00 174.62 173.11 3drg s PRO 547 N 1.99 4.26 -0.14 4.92 0.04 -1.26 -0.99 135.00 143.81 3drg s PRO 547 Ca 0.03 1.63 0.02 0.00 0.04 0.00 0.00 61.00 62.73 3drg s PRO 547 Cb -0.14 -3.71 0.01 0.00 0.04 0.00 0.00 34.50 30.70 3drg s PRO 547 CO -0.06 -0.65 -0.21 0.08 0.04 0.00 0.00 177.00 176.20 3drg s VAL 548 N 3.22 1.99 0.42 -0.36 1.01 -0.37 -3.42 120.40 122.90 3drg s VAL 548 Ca 0.54 -0.94 -0.26 0.00 0.00 0.00 0.00 61.98 61.32 3drg s VAL 548 Cb -0.21 -1.77 -0.09 0.00 0.00 0.00 0.00 36.38 34.30 3drg s VAL 548 CO 0.15 0.54 1.45 0.21 0.00 0.00 0.00 175.10 177.45 3drg s ASN 549 N 0.88 6.06 0.00 3.32 3.84 0.68 -0.32 114.94 129.39 3drg s ASN 549 Ca -0.06 2.98 0.11 0.00 0.21 0.00 0.00 52.86 56.10 3drg s ASN 549 Cb -0.15 -2.66 0.48 0.00 -0.55 0.00 0.00 41.25 38.36 3drg s ASN 549 CO -0.03 -1.06 1.36 0.29 -2.79 0.00 0.00 177.10 174.87 3drg n LYS 550 N 0.06 0.00 0.15 0.43 5.02 -0.51 -1.96 118.16 121.35 3drg n LYS 550 Ca 0.03 0.31 0.13 0.00 -2.02 0.00 0.00 58.31 56.76 3drg n LYS 550 Cb 0.41 -1.50 0.29 0.00 -0.02 0.00 0.00 35.03 34.20 3drg n LYS 550 CO 0.00 0.00 0.00 0.07 -0.52 0.00 0.00 177.40 176.95 3drg h ARG 551 N 0.00 0.00 -6.42 1.97 0.11 -1.90 -3.46 114.38 104.67 3drg h ARG 551 Ca 0.00 0.00 -0.54 0.00 0.10 0.00 0.00 59.98 59.54 3drg h ARG 551 Cb 0.19 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.26 3drg h ARG 551 CO 0.00 0.00 0.52 0.08 0.10 0.00 0.00 179.97 180.67 3drg s VAL 552 N -3.16 4.39 -0.06 0.08 1.01 -0.83 0.22 120.40 122.06 3drg s VAL 552 Ca 0.09 1.71 0.02 0.00 0.00 0.00 0.00 61.98 63.80 3drg s VAL 552 Cb 0.10 -4.10 -0.03 0.00 0.00 0.00 0.00 36.38 32.35 3drg s VAL 552 CO 0.64 0.11 -0.09 -0.69 0.00 0.00 0.00 175.10 175.07 3drg s VAL 553 N 1.26 3.52 -0.64 2.92 1.01 0.16 -4.65 120.40 123.98 3drg s VAL 553 Ca 0.55 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.97 3drg s VAL 553 Cb -0.25 -2.43 0.00 0.00 0.00 0.00 0.00 36.38 33.70 3drg s VAL 553 CO 0.27 0.59 0.00 0.61 0.00 0.00 0.00 175.10 176.57 3drg n GLY 554 N 2.21 0.48 3.75 4.51 0.00 -1.26 -1.26 105.19 113.62 3drg n GLY 554 Ca -0.18 -0.68 -0.39 0.00 0.00 0.00 0.00 46.02 44.78 3drg n GLY 554 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3drg s MET 555 N -3.49 4.34 -0.01 1.61 0.00 -1.26 -4.48 119.30 116.00 3drg s MET 555 Ca 0.00 0.74 -0.17 0.00 0.00 0.00 0.00 55.69 56.26 3drg s MET 555 Cb 0.00 -3.36 0.03 0.00 0.00 0.00 0.00 34.83 31.50 3drg s MET 555 CO 0.00 0.31 0.36 -0.08 0.00 0.00 0.00 175.02 175.61 3drg s THR 556 N 0.01 0.05 -1.69 10.11 -1.32 -1.26 -2.93 115.64 118.61 3drg s THR 556 Ca 0.32 -0.43 0.21 0.00 -1.21 0.00 0.00 61.69 60.58 3drg s THR 556 Cb -0.18 -0.68 0.63 0.00 -1.51 0.00 0.00 72.50 70.76 3drg s THR 556 CO 0.17 -0.23 1.53 0.18 -2.21 0.00 0.00 174.62 174.06 3drg n LEU 557 N 1.18 4.03 -4.70 9.08 4.77 -0.68 -4.98 117.00 125.69 3drg n LEU 557 Ca -0.21 -2.10 -0.42 0.00 -0.03 0.00 0.00 56.01 53.25 3drg n LEU 557 Cb 0.56 -0.48 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 3drg n LEU 557 CO 0.22 0.93 1.05 -0.62 -1.33 0.00 0.00 177.39 177.64 3drg s ASP 558 N -0.99 6.89 0.25 -1.43 2.15 -1.26 -4.91 116.67 117.37 3drg s ASP 558 Ca 0.47 2.17 0.23 0.00 0.43 0.00 0.00 52.55 55.86 3drg s ASP 558 Cb 0.26 -2.57 0.98 0.00 -0.30 0.00 0.00 42.92 41.28 3drg s ASP 558 CO 0.30 -0.64 1.70 -1.22 -0.17 0.00 0.00 175.17 175.14 3drg n TYR 559 N 4.51 0.78 0.54 -5.34 4.01 -1.26 -2.50 117.16 117.89 3drg n TYR 559 Ca 0.12 0.31 0.12 0.00 -0.16 0.00 0.00 57.90 58.29 3drg n TYR 559 Cb 0.44 -1.00 0.21 0.00 -0.31 0.00 0.00 39.34 38.68 3drg n TYR 559 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3drg h GLY 560 N 2.13 0.00 -5.95 2.72 0.00 -1.81 -3.41 103.07 96.75 3drg h GLY 560 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.76 3drg h GLY 560 CO 0.00 0.00 0.98 0.00 0.00 0.00 0.00 176.54 177.52 3drg s ALA 561 N -3.17 3.36 -0.26 3.60 0.00 -1.04 -4.73 121.76 119.53 3drg s ALA 561 Ca 0.07 0.13 0.01 0.00 0.00 0.00 0.00 51.96 52.17 3drg s ALA 561 Cb 0.13 -3.78 -0.17 0.00 0.00 0.00 0.00 23.12 19.30 3drg s ALA 561 CO 0.70 -1.77 -0.21 -1.33 0.00 0.00 0.00 175.76 173.14 3drg n MET 562 N 7.33 0.65 -0.62 0.00 0.00 -1.26 -4.42 117.12 118.80 3drg n MET 562 Ca 0.15 0.16 -0.09 0.00 0.00 0.00 0.00 57.70 57.91 3drg n MET 562 Cb 0.46 -1.53 0.12 0.00 0.00 0.00 0.00 33.22 32.28 3drg n MET 562 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 3drg n ASN 563 N -3.29 3.43 -0.14 7.83 3.02 -1.26 -4.64 115.26 120.22 3drg n ASN 563 Ca -0.46 -2.79 -0.04 0.00 -0.03 0.00 0.00 54.58 51.27 3drg n ASN 563 Cb 0.99 -0.67 0.05 0.00 -0.61 0.00 0.00 39.78 39.54 3drg n ASN 563 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 3drg h THR 564 N 0.87 0.75 0.00 3.41 2.02 -1.94 -0.07 112.91 117.96 3drg h THR 564 Ca 0.27 -0.07 -0.06 0.00 0.77 0.00 0.00 66.41 67.32 3drg h THR 564 Cb 1.86 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 68.79 3drg h THR 564 CO 0.53 0.04 -0.27 -0.50 0.37 0.00 0.00 175.52 175.69 3drg h TRP 565 N 0.21 0.00 0.11 3.16 4.06 -1.95 -1.50 115.95 120.03 3drg h TRP 565 Ca 0.22 0.00 -0.30 0.00 2.06 0.00 0.00 58.89 60.87 3drg h TRP 565 Cb 0.28 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.43 3drg h TRP 565 CO -0.22 0.27 -1.47 1.03 -3.56 0.00 0.00 178.44 174.49 3drg h SER 566 N 0.00 0.36 0.70 -3.49 0.87 -1.73 -3.36 113.55 106.89 3drg h SER 566 Ca -0.00 -0.48 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 3drg h SER 566 Cb 0.82 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 3drg h SER 566 CO 0.03 1.39 -0.80 -0.62 -0.53 0.00 0.00 176.83 176.31 3drg n GLU 567 N -3.44 0.31 -2.38 2.24 1.02 -0.11 -2.65 120.64 115.63 3drg n GLU 567 Ca -0.14 0.05 -0.39 0.00 -0.02 0.00 0.00 57.16 56.65 3drg n GLU 567 Cb 1.04 -1.65 -0.03 0.00 -0.02 0.00 0.00 31.44 30.77 3drg n GLU 567 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 3drg s ILE 568 N -3.19 3.30 0.21 -3.67 2.07 -0.57 -4.69 121.20 114.65 3drg s ILE 568 Ca 0.05 1.22 -0.05 0.00 -1.41 0.00 0.00 60.65 60.45 3drg s ILE 568 Cb 0.14 -3.74 0.02 0.00 0.13 0.00 0.00 42.46 39.01 3drg s ILE 568 CO 0.76 0.22 0.37 0.61 -1.91 0.00 0.00 174.94 174.99 3drg n GLY 569 N 0.90 1.87 3.36 1.50 0.00 -0.39 -4.25 105.19 108.18 3drg n GLY 569 Ca 0.01 -1.28 -0.21 0.00 0.00 0.00 0.00 46.02 44.54 3drg n GLY 569 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3drg s VAL 570 N -2.56 1.89 -0.12 1.61 -7.23 -1.26 0.40 120.40 113.13 3drg s VAL 570 Ca 0.11 -2.10 0.19 0.00 -1.81 0.00 0.00 61.98 58.38 3drg s VAL 570 Cb -0.02 -1.99 -0.26 0.00 0.56 0.00 0.00 36.38 34.68 3drg s VAL 570 CO 0.08 -0.43 0.40 -1.54 -0.31 0.00 0.00 175.10 173.30 3drg n SER 571 N -0.09 0.19 -3.38 4.85 3.41 0.13 -0.25 113.62 118.48 3drg n SER 571 Ca -0.10 0.08 -0.14 0.00 -0.26 0.00 0.00 58.87 58.45 3drg n SER 571 Cb 0.59 1.21 -0.04 0.00 -0.26 0.00 0.00 64.21 65.70 3drg n SER 571 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3drg s SER 572 N -5.17 0.74 0.03 4.04 1.04 -1.26 -4.75 113.70 108.36 3drg s SER 572 Ca -0.08 -1.40 0.00 0.00 0.48 0.00 0.00 55.95 54.95 3drg s SER 572 Cb 0.10 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.86 3drg s SER 572 CO 0.86 -1.26 0.00 0.00 0.98 0.00 0.00 173.24 173.81 3drg n ALA 573 N -0.53 0.00 1.86 5.32 0.00 -1.26 -4.97 120.51 120.93 3drg n ALA 573 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.60 3drg n ALA 573 Cb 0.62 0.00 0.83 0.00 0.00 0.00 0.00 19.45 20.90 3drg n ALA 573 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67