#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mx0 s GLU 28 N 0.00 1.96 -0.13 1.64 2.02 -1.26 -3.22 118.70 119.70 3mx0 s GLU 28 Ca 0.00 -1.20 0.01 0.00 0.02 0.00 0.00 54.97 53.80 3mx0 s GLU 28 Cb 0.00 -2.16 0.02 0.00 0.10 0.00 0.00 34.13 32.09 3mx0 s GLU 28 CO 0.00 0.46 -0.14 0.08 0.02 0.00 0.00 175.26 175.69 3mx0 s VAL 29 N -1.41 1.50 -0.04 2.63 1.01 -0.62 -4.99 120.40 118.48 3mx0 s VAL 29 Ca 0.22 -0.60 -0.18 0.00 0.00 0.00 0.00 61.98 61.41 3mx0 s VAL 29 Cb -0.10 -1.41 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 3mx0 s VAL 29 CO 0.13 0.45 0.51 -0.69 0.00 0.00 0.00 175.10 175.50 3mx0 s VAL 30 N 1.38 5.03 -1.68 2.92 1.01 -1.26 -0.98 120.40 126.82 3mx0 s VAL 30 Ca 0.02 1.05 0.18 0.00 0.00 0.00 0.00 61.98 63.23 3mx0 s VAL 30 Cb -0.13 -3.84 0.44 0.00 0.00 0.00 0.00 36.38 32.84 3mx0 s VAL 30 CO -0.08 0.42 1.36 0.18 0.00 0.00 0.00 175.10 176.98 3mx0 n LEU 31 N 2.84 3.34 0.00 3.92 4.77 0.33 -4.94 117.00 127.25 3mx0 n LEU 31 Ca -0.09 -1.81 0.00 0.00 -0.03 0.00 0.00 56.01 54.09 3mx0 n LEU 31 Cb 0.51 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 3mx0 n LEU 31 CO 0.42 0.80 0.00 -0.11 -1.33 0.00 0.00 177.39 177.17 3mx0 n LEU 32 N 1.15 0.00 -3.01 2.23 7.94 -1.14 -4.85 117.00 119.31 3mx0 n LEU 32 Ca 0.18 0.00 -0.13 0.00 -1.11 0.00 0.00 56.01 54.94 3mx0 n LEU 32 Cb 0.53 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.44 3mx0 n LEU 32 CO 0.13 0.00 -0.06 -0.67 -1.11 0.00 0.00 177.39 175.68 3mx0 n ASP 33 N 0.00 -2.24 -0.32 1.96 2.03 -1.26 -0.86 116.55 115.86 3mx0 n ASP 33 Ca 0.00 -2.71 0.13 0.00 0.52 0.00 0.00 54.79 52.73 3mx0 n ASP 33 Cb 0.00 0.83 0.32 0.00 -0.72 0.00 0.00 41.12 41.54 3mx0 n ASP 33 CO 0.00 0.00 0.00 0.15 -1.92 0.00 0.00 177.20 175.43 3mx0 h PHE 34 N 5.20 0.83 -0.00 -0.67 3.57 -1.50 -0.86 116.94 123.50 3mx0 h PHE 34 Ca 0.14 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.67 3mx0 h PHE 34 Cb 1.03 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 39.54 3mx0 h PHE 34 CO 0.16 0.06 -0.00 0.00 -2.23 0.00 0.00 178.31 176.30 3mx0 n ALA 35 N -2.41 -0.00 0.71 2.41 0.00 -1.25 -2.02 120.51 117.95 3mx0 n ALA 35 Ca 0.23 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.69 3mx0 n ALA 35 Cb 0.63 0.45 0.11 0.00 0.00 0.00 0.00 19.45 20.64 3mx0 n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mx0 n ALA 36 N -2.91 2.78 0.20 0.00 0.00 -0.36 -3.88 120.51 116.34 3mx0 n ALA 36 Ca 0.00 -0.49 0.01 0.00 0.00 0.00 0.00 53.44 52.95 3mx0 n ALA 36 Cb 0.00 -1.02 0.15 0.00 0.00 0.00 0.00 19.45 18.58 3mx0 n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mx0 n ALA 37 N 0.16 3.20 -2.68 0.00 0.00 -0.86 -4.88 120.51 115.45 3mx0 n ALA 37 Ca 0.08 -0.86 -0.08 0.00 0.00 0.00 0.00 53.44 52.58 3mx0 n ALA 37 Cb 0.42 -1.08 -0.01 0.00 0.00 0.00 0.00 19.45 18.78 3mx0 n ALA 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mx0 n GLY 38 N 0.18 -0.43 3.41 0.00 0.00 -1.25 -2.08 105.19 105.02 3mx0 n GLY 38 Ca 0.14 0.01 -0.16 0.00 0.00 0.00 0.00 46.02 46.01 3mx0 n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mx0 n GLY 39 N -0.56 -1.17 0.00 -0.02 0.00 -1.26 -4.92 105.19 97.26 3mx0 n GLY 39 Ca 0.02 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.55 3mx0 n GLY 39 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3mx0 n GLU 40 N -2.86 0.03 -0.05 1.61 1.02 -0.88 -4.90 120.64 114.61 3mx0 n GLU 40 Ca -0.10 -0.28 -0.05 0.00 -0.02 0.00 0.00 57.16 56.71 3mx0 n GLU 40 Cb 0.58 -0.51 -0.05 0.00 -0.02 0.00 0.00 31.44 31.44 3mx0 n GLU 40 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 3mx0 h LEU 41 N 0.00 -0.02 -2.34 -4.62 6.46 -1.92 -3.50 115.31 109.38 3mx0 h LEU 41 Ca 0.00 -0.35 0.01 0.00 -0.12 0.00 0.00 57.88 57.42 3mx0 h LEU 41 Cb 0.75 0.00 -0.08 0.00 -0.73 0.00 0.00 40.66 40.60 3mx0 h LEU 41 CO 0.00 0.65 -1.17 0.61 -0.62 0.00 0.00 178.44 177.91 3mx0 n GLY 42 N 1.65 -3.81 3.89 3.75 0.00 -1.26 -4.98 105.19 104.42 3mx0 n GLY 42 Ca -0.04 1.20 -0.33 0.00 0.00 0.00 0.00 46.02 46.85 3mx0 n GLY 42 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3mx0 s TRP 43 N -0.67 3.51 0.19 1.61 0.51 -1.26 -4.93 118.94 117.91 3mx0 s TRP 43 Ca -0.18 0.62 -0.32 0.00 -2.12 0.00 0.00 56.10 54.10 3mx0 s TRP 43 Cb 0.01 -2.04 -0.16 0.00 -0.81 0.00 0.00 33.47 30.47 3mx0 s TRP 43 CO 0.59 0.48 1.08 -0.11 -0.51 0.00 0.00 176.95 178.48 3mx0 n LEU 44 N 0.43 1.31 -4.79 2.99 0.00 -1.22 -4.68 117.00 111.05 3mx0 n LEU 44 Ca -0.05 1.15 -0.23 0.00 0.00 0.00 0.00 56.01 56.88 3mx0 n LEU 44 Cb 0.52 -1.20 -0.06 0.00 0.00 0.00 0.00 43.42 42.68 3mx0 n LEU 44 CO 0.46 -1.47 -0.11 0.42 0.00 0.00 0.00 177.39 176.69 3mx0 s THR 45 N -0.43 2.45 -0.27 1.96 -4.23 -1.26 0.04 115.64 113.91 3mx0 s THR 45 Ca 0.70 -1.58 -0.25 0.00 -1.18 0.00 0.00 61.69 59.39 3mx0 s THR 45 Cb -0.84 -3.00 0.09 0.00 1.34 0.00 0.00 72.50 70.09 3mx0 s THR 45 CO 0.54 -0.01 0.84 -2.28 -0.54 0.00 0.00 174.62 173.17 3mx0 s HIS 46 N -2.55 -0.68 0.20 3.99 2.46 -1.10 -4.19 115.29 113.42 3mx0 s HIS 46 Ca 0.43 1.65 -0.27 0.00 0.47 0.00 0.00 55.06 57.33 3mx0 s HIS 46 Cb 0.01 0.31 -0.08 0.00 -0.13 0.00 0.00 32.58 32.69 3mx0 s HIS 46 CO 0.24 -0.33 0.86 -2.14 -2.47 0.00 0.00 174.74 170.90 3mx0 s PRO 47 N 0.36 4.71 0.00 2.88 0.02 -1.26 -2.60 135.00 139.10 3mx0 s PRO 47 Ca 0.01 1.32 0.00 0.00 0.02 0.00 0.00 61.00 62.34 3mx0 s PRO 47 Cb -0.05 -3.26 0.00 0.00 0.02 0.00 0.00 34.50 31.21 3mx0 s PRO 47 CO -0.02 0.54 0.00 0.66 -0.33 0.00 0.00 177.00 177.85 3mx0 n TYR 48 N 1.52 0.00 -0.56 6.54 4.01 -1.26 0.03 117.16 127.44 3mx0 n TYR 48 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 3mx0 n TYR 48 Cb 0.48 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.51 3mx0 n TYR 48 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3mx0 n GLY 49 N -0.42 0.94 0.04 2.72 0.00 -1.26 -4.83 105.19 102.39 3mx0 n GLY 49 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 3mx0 n GLY 49 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3mx0 n LYS 50 N -2.00 0.38 0.00 1.61 0.00 0.10 -4.77 118.16 113.49 3mx0 n LYS 50 Ca 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.23 3mx0 n LYS 50 Cb 0.00 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 33.53 3mx0 n LYS 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3mx0 n GLY 51 N 1.35 0.14 3.77 2.58 0.00 -1.24 -4.93 105.19 106.87 3mx0 n GLY 51 Ca 0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.76 3mx0 n GLY 51 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3mx0 s TRP 52 N 1.15 3.38 0.04 1.61 0.52 -1.26 -4.76 118.94 119.61 3mx0 s TRP 52 Ca 0.00 1.67 -0.02 0.00 0.02 0.00 0.00 56.10 57.77 3mx0 s TRP 52 Cb 0.00 -3.17 -0.03 0.00 -1.15 0.00 0.00 33.47 29.12 3mx0 s TRP 52 CO 0.00 -0.58 -0.01 0.34 0.02 0.00 0.00 176.95 176.73 3mx0 s ASP 53 N -1.35 0.35 -0.24 2.95 -1.08 0.77 -4.91 116.67 113.16 3mx0 s ASP 53 Ca 0.53 -0.75 -0.08 0.00 -0.52 0.00 0.00 52.55 51.74 3mx0 s ASP 53 Cb -0.25 0.17 -0.04 0.00 -1.46 0.00 0.00 42.92 41.35 3mx0 s ASP 53 CO 0.32 -0.49 0.09 -0.22 0.52 0.00 0.00 175.17 175.39 3mx0 s LEU 54 N -2.29 3.65 0.18 -1.34 2.96 -1.26 0.16 118.68 120.73 3mx0 s LEU 54 Ca -0.03 -0.09 0.10 0.00 -0.22 0.00 0.00 54.13 53.89 3mx0 s LEU 54 Cb 0.00 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 3mx0 s LEU 54 CO -0.06 0.02 -0.19 -0.04 -1.32 0.00 0.00 176.35 174.75 3mx0 s MET 55 N 1.31 1.70 0.25 1.98 -1.94 -0.33 -4.96 119.30 117.31 3mx0 s MET 55 Ca 0.05 -1.40 0.03 0.00 -1.71 0.00 0.00 55.69 52.66 3mx0 s MET 55 Cb -0.15 -1.97 0.03 0.00 2.01 0.00 0.00 34.83 34.76 3mx0 s MET 55 CO 0.04 0.42 0.26 0.00 -0.01 0.00 0.00 175.02 175.74 3mx0 n GLN 56 N 0.30 0.99 0.00 2.03 10.64 -1.26 -1.55 117.38 128.53 3mx0 n GLN 56 Ca -0.13 -1.46 0.00 0.00 -1.83 0.00 0.00 57.00 53.58 3mx0 n GLN 56 Cb 0.55 0.04 0.00 0.00 -0.86 0.00 0.00 30.24 29.97 3mx0 n GLN 56 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52 3mx0 n ASN 57 N -2.28 0.00 -4.91 2.61 2.85 -0.95 -4.94 115.26 107.64 3mx0 n ASN 57 Ca 0.03 0.00 -0.27 0.00 -0.11 0.00 0.00 54.58 54.23 3mx0 n ASN 57 Cb 0.27 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.28 3mx0 n ASN 57 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3mx0 s ILE 58 N -2.00 4.96 -0.30 -1.44 -1.09 -1.26 -1.27 121.20 118.80 3mx0 s ILE 58 Ca 0.00 0.08 -0.17 0.00 -2.23 0.00 0.00 60.65 58.33 3mx0 s ILE 58 Cb 0.00 -3.82 0.18 0.00 -1.58 0.00 0.00 42.46 37.24 3mx0 s ILE 58 CO 0.00 -0.63 1.15 -0.32 -1.23 0.00 0.00 174.94 173.91 3mx0 s MET 59 N -4.29 0.17 -1.34 2.79 1.75 -0.10 -4.86 119.30 113.42 3mx0 s MET 59 Ca 0.46 0.33 0.00 0.00 -1.25 0.00 0.00 55.69 55.23 3mx0 s MET 59 Cb -0.10 0.11 0.00 0.00 2.84 0.00 0.00 34.83 37.68 3mx0 s MET 59 CO 0.38 -0.04 0.00 0.09 -0.65 0.00 0.00 175.02 174.80 3mx0 n ASN 60 N 3.89 -4.18 0.00 1.11 3.02 -1.26 -1.76 115.26 116.07 3mx0 n ASN 60 Ca -0.14 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 3mx0 n ASN 60 Cb 0.56 -3.64 0.00 0.00 -0.61 0.00 0.00 39.78 36.09 3mx0 n ASN 60 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3mx0 n ASP 61 N -1.42 0.00 -4.88 6.41 8.00 -1.26 -4.97 116.55 118.42 3mx0 n ASP 61 Ca -0.16 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.04 3mx0 n ASP 61 Cb 0.57 -0.01 -0.04 0.00 -0.02 0.00 0.00 41.12 41.62 3mx0 n ASP 61 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3mx0 s MET 62 N 0.00 3.76 0.07 -1.24 -1.94 -0.72 -5.01 119.30 114.22 3mx0 s MET 62 Ca 0.00 0.33 -0.30 0.00 -1.71 0.00 0.00 55.69 54.00 3mx0 s MET 62 Cb 0.00 -2.51 -0.06 0.00 2.01 0.00 0.00 34.83 34.28 3mx0 s MET 62 CO 0.00 0.11 1.18 -2.14 -0.01 0.00 0.00 175.02 174.16 3mx0 s PRO 63 N -3.53 4.45 0.02 2.03 0.02 -1.26 -0.93 135.00 135.80 3mx0 s PRO 63 Ca 0.49 1.76 0.00 0.00 0.02 0.00 0.00 61.00 63.27 3mx0 s PRO 63 Cb -0.11 -3.34 -0.02 0.00 0.02 0.00 0.00 34.50 31.06 3mx0 s PRO 63 CO 0.28 -0.21 -0.03 0.96 -0.33 0.00 0.00 177.00 177.67 3mx0 s ILE 64 N 0.91 0.13 0.14 2.83 -4.36 -0.40 -4.95 121.20 115.49 3mx0 s ILE 64 Ca 0.57 -0.79 0.10 0.00 -0.26 0.00 0.00 60.65 60.27 3mx0 s ILE 64 Cb -0.29 -0.25 -0.04 0.00 1.25 0.00 0.00 42.46 43.13 3mx0 s ILE 64 CO 0.30 -0.42 -0.23 -0.31 0.24 0.00 0.00 174.94 174.52 3mx0 s TYR 65 N -1.24 2.06 0.05 1.37 1.51 -1.26 -2.24 117.35 117.60 3mx0 s TYR 65 Ca -0.13 -0.40 -0.04 0.00 -1.01 0.00 0.00 57.07 55.49 3mx0 s TYR 65 Cb -0.09 -1.09 -0.02 0.00 -0.11 0.00 0.00 41.96 40.65 3mx0 s TYR 65 CO -0.01 0.32 0.06 0.00 -1.11 0.00 0.00 175.55 174.81 3mx0 s MET 66 N -2.22 0.60 -0.40 -0.62 0.23 -0.60 -4.84 119.30 111.46 3mx0 s MET 66 Ca 0.13 -0.91 -0.05 0.00 -1.03 0.00 0.00 55.69 53.83 3mx0 s MET 66 Cb -0.09 0.23 0.09 0.00 -1.53 0.00 0.00 34.83 33.52 3mx0 s MET 66 CO 0.06 -0.14 0.20 0.71 -2.03 0.00 0.00 175.02 173.82 3mx0 s TYR 67 N -3.04 3.43 0.26 3.16 2.02 -1.02 -1.18 117.35 120.98 3mx0 s TYR 67 Ca -0.01 -1.96 0.12 0.00 -0.37 0.00 0.00 57.07 54.84 3mx0 s TYR 67 Cb 0.01 -2.95 -0.05 0.00 -0.40 0.00 0.00 41.96 38.58 3mx0 s TYR 67 CO -0.07 -0.90 -0.20 -1.54 -1.57 0.00 0.00 175.55 171.27 3mx0 s SER 68 N 1.88 3.48 0.15 2.29 1.04 0.42 0.35 113.70 123.32 3mx0 s SER 68 Ca 0.04 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 55.46 3mx0 s SER 68 Cb -0.23 -0.28 -0.04 0.00 0.10 0.00 0.00 66.02 65.57 3mx0 s SER 68 CO -0.01 0.03 0.04 0.54 0.98 0.00 0.00 173.24 174.82 3mx0 s VAL 69 N -2.43 0.31 0.00 5.02 0.11 -1.18 0.27 120.40 122.50 3mx0 s VAL 69 Ca 0.28 -1.94 0.00 0.00 -2.93 0.00 0.00 61.98 57.39 3mx0 s VAL 69 Cb -0.05 -2.11 0.00 0.00 -1.53 0.00 0.00 36.38 32.69 3mx0 s VAL 69 CO 0.14 -0.44 0.51 0.00 -3.33 0.00 0.00 175.10 171.98 3mx0 n ASN 71 N 0.00 2.96 0.02 0.00 4.13 -1.26 -4.54 115.26 116.58 3mx0 n ASN 71 Ca -0.10 -2.35 -0.05 0.00 1.68 0.00 0.00 54.58 53.75 3mx0 n ASN 71 Cb 0.45 -0.92 0.16 0.00 -1.54 0.00 0.00 39.78 37.93 3mx0 n ASN 71 CO 0.00 0.00 0.00 -0.37 0.28 0.00 0.00 177.26 177.17 3mx0 h VAL 72 N 3.94 1.29 0.03 2.41 -1.51 -1.89 -3.35 116.25 117.17 3mx0 h VAL 72 Ca 0.35 -1.46 -0.00 0.00 -1.23 0.00 0.00 66.70 64.36 3mx0 h VAL 72 Cb 0.29 1.51 0.00 0.00 -2.13 0.00 0.00 31.29 30.96 3mx0 h VAL 72 CO 1.53 0.46 -0.01 0.24 -1.23 0.00 0.00 177.57 178.55 3mx0 h MET 73 N 0.40 -0.03 0.00 5.19 2.86 -1.84 -3.36 114.93 118.15 3mx0 h MET 73 Ca 0.04 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3mx0 h MET 73 Cb 0.81 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.47 3mx0 h MET 73 CO 0.07 0.67 0.00 0.43 1.06 0.00 0.00 176.91 179.13 3mx0 n SER 74 N -4.75 0.00 0.00 1.22 7.64 -1.26 -4.87 113.62 111.60 3mx0 n SER 74 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.79 3mx0 n SER 74 Cb 0.35 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 3mx0 n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mx0 n GLY 75 N -0.46 0.67 3.56 0.23 0.00 -1.26 -4.70 105.19 103.24 3mx0 n GLY 75 Ca 0.00 0.54 -0.39 0.00 0.00 0.00 0.00 46.02 46.16 3mx0 n GLY 75 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3mx0 s ASP 76 N -4.00 5.49 0.00 1.61 1.47 -1.26 -4.73 116.67 115.25 3mx0 s ASP 76 Ca 0.00 0.35 0.00 0.00 1.18 0.00 0.00 52.55 54.08 3mx0 s ASP 76 Cb 0.00 -2.53 0.00 0.00 -0.34 0.00 0.00 42.92 40.05 3mx0 s ASP 76 CO 0.00 -2.20 0.00 0.00 0.68 0.00 0.00 175.17 173.65 3mx0 n GLN 77 N 9.08 3.53 0.00 2.11 1.13 -1.26 -5.05 117.38 126.92 3mx0 n GLN 77 Ca 0.18 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.24 3mx0 n GLN 77 Cb 0.51 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.86 3mx0 n GLN 77 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3mx0 n ASP 78 N 0.00 0.00 -4.36 1.08 2.03 -0.42 -4.94 116.55 109.94 3mx0 n ASP 78 Ca 0.00 0.00 -0.45 0.00 0.52 0.00 0.00 54.79 54.86 3mx0 n ASP 78 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 3mx0 n ASP 78 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 3mx0 s ASN 79 N 0.00 6.23 0.40 1.67 -0.87 0.42 -4.57 114.94 118.23 3mx0 s ASN 79 Ca 0.00 -1.59 -0.11 0.00 -1.57 0.00 0.00 52.86 49.59 3mx0 s ASN 79 Cb 0.00 -2.28 -0.07 0.00 -0.02 0.00 0.00 41.25 38.88 3mx0 s ASN 79 CO 0.00 -1.04 0.78 0.26 -2.57 0.00 0.00 177.10 174.53 3mx0 s TRP 80 N 2.35 3.46 -0.23 2.20 0.52 -1.07 -1.07 118.94 125.11 3mx0 s TRP 80 Ca 0.11 1.07 -0.04 0.00 0.02 0.00 0.00 56.10 57.26 3mx0 s TRP 80 Cb -0.24 -2.46 0.08 0.00 -1.15 0.00 0.00 33.47 29.70 3mx0 s TRP 80 CO 0.04 -0.11 0.10 -1.17 0.02 0.00 0.00 176.95 175.84 3mx0 s LEU 81 N -3.81 0.61 -0.43 2.99 2.96 -0.83 -2.71 118.68 117.47 3mx0 s LEU 81 Ca 0.52 -0.97 -0.06 0.00 -0.22 0.00 0.00 54.13 53.39 3mx0 s LEU 81 Cb -0.10 -0.35 0.11 0.00 0.50 0.00 0.00 46.19 46.34 3mx0 s LEU 81 CO 0.30 -0.39 0.26 -0.60 -1.32 0.00 0.00 176.35 174.61 3mx0 s ARG 82 N 2.07 2.29 0.27 1.98 3.52 0.11 -1.78 118.95 127.40 3mx0 s ARG 82 Ca 0.05 -1.73 -0.23 0.00 -0.13 0.00 0.00 55.73 53.69 3mx0 s ARG 82 Cb -0.16 -3.73 -0.15 0.00 -1.56 0.00 0.00 34.95 29.35 3mx0 s ARG 82 CO -0.22 -1.09 0.30 0.25 -0.81 0.00 0.00 175.30 173.73 3mx0 n THR 83 N 4.76 1.28 0.00 4.11 -2.24 -1.26 -3.43 114.28 117.50 3mx0 n THR 83 Ca -0.06 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.26 3mx0 n THR 83 Cb 0.41 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 3mx0 n THR 83 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 3mx0 n ASN 84 N 1.98 0.00 -3.58 3.42 0.23 -1.26 -4.50 115.26 111.55 3mx0 n ASN 84 Ca 0.14 0.00 -0.21 0.00 -0.53 0.00 0.00 54.58 53.98 3mx0 n ASN 84 Cb 0.29 0.00 -0.15 0.00 -2.08 0.00 0.00 39.78 37.84 3mx0 n ASN 84 CO 0.00 0.00 0.00 0.86 -0.93 0.00 0.00 177.26 177.19 3mx0 s TRP 85 N 0.00 -0.05 -0.18 -2.53 -0.00 -1.26 -4.82 118.94 110.09 3mx0 s TRP 85 Ca 0.00 0.08 -0.21 0.00 -0.00 0.00 0.00 56.10 55.97 3mx0 s TRP 85 Cb 0.00 -0.48 -0.03 0.00 -0.00 0.00 0.00 33.47 32.96 3mx0 s TRP 85 CO 0.00 -0.49 0.63 0.08 -0.00 0.00 0.00 176.95 177.17 3mx0 s VAL 86 N 2.24 5.03 0.20 5.86 1.01 -0.30 -4.94 120.40 129.50 3mx0 s VAL 86 Ca 0.04 1.19 -0.30 0.00 0.00 0.00 0.00 61.98 62.91 3mx0 s VAL 86 Cb -0.15 -3.94 -0.09 0.00 0.00 0.00 0.00 36.38 32.20 3mx0 s VAL 86 CO -0.09 0.13 1.31 -0.47 0.00 0.00 0.00 175.10 175.98 3mx0 s TYR 87 N 1.76 3.26 0.01 5.22 5.04 -1.26 -0.28 117.35 131.09 3mx0 s TYR 87 Ca 0.29 1.23 -0.08 0.00 -2.44 0.00 0.00 57.07 56.07 3mx0 s TYR 87 Cb -0.16 -3.60 -0.04 0.00 0.35 0.00 0.00 41.96 38.51 3mx0 s TYR 87 CO 0.11 -1.87 1.08 -0.09 -1.34 0.00 0.00 175.55 173.44 3mx0 h ARG 88 N 5.36 -0.26 0.00 4.97 2.43 -1.69 -3.46 114.38 121.73 3mx0 h ARG 88 Ca -0.45 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 3mx0 h ARG 88 Cb 1.21 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 3mx0 h ARG 88 CO 0.77 -0.17 0.00 0.41 -1.51 0.00 0.00 179.97 179.47 3mx0 n GLY 89 N -1.02 -0.24 0.15 2.80 0.00 -1.26 -4.17 105.19 101.45 3mx0 n GLY 89 Ca -0.03 -1.49 0.01 0.00 0.00 0.00 0.00 46.02 44.51 3mx0 n GLY 89 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3mx0 h GLU 90 N 0.00 0.00 -6.64 1.61 4.11 -2.00 -3.47 114.58 108.19 3mx0 h GLU 90 Ca 0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.36 58.85 3mx0 h GLU 90 Cb 0.00 0.00 0.12 0.00 0.50 0.00 0.00 28.75 29.37 3mx0 h GLU 90 CO 0.00 0.54 0.26 0.00 0.07 0.00 0.00 179.01 179.87 3mx0 n ALA 91 N -2.35 0.43 0.00 1.06 0.00 -1.26 -4.96 120.51 113.42 3mx0 n ALA 91 Ca -0.00 0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.74 3mx0 n ALA 91 Cb 0.60 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.93 3mx0 n ALA 91 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3mx0 n GLU 92 N 0.37 2.71 -3.88 0.00 1.02 -1.26 -4.68 120.64 114.92 3mx0 n GLU 92 Ca 0.08 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.94 3mx0 n GLU 92 Cb 0.37 -0.86 -0.17 0.00 -0.02 0.00 0.00 31.44 30.76 3mx0 n GLU 92 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 3mx0 s ARG 93 N -1.68 1.35 0.13 3.49 3.52 -1.26 0.47 118.95 124.97 3mx0 s ARG 93 Ca 0.00 -0.46 0.03 0.00 -0.13 0.00 0.00 55.73 55.17 3mx0 s ARG 93 Cb 0.00 -1.92 -0.04 0.00 -1.56 0.00 0.00 34.95 31.43 3mx0 s ARG 93 CO 0.00 -0.42 0.21 0.96 -0.81 0.00 0.00 175.30 175.23 3mx0 s ILE 94 N 1.67 5.03 -0.30 4.11 -4.36 -1.03 -4.58 121.20 121.73 3mx0 s ILE 94 Ca 0.01 -0.74 0.03 0.00 -0.26 0.00 0.00 60.65 59.70 3mx0 s ILE 94 Cb -0.15 -3.53 0.08 0.00 1.25 0.00 0.00 42.46 40.10 3mx0 s ILE 94 CO -0.08 -0.02 -0.03 -0.36 0.24 0.00 0.00 174.94 174.69 3mx0 s PHE 95 N -1.65 3.49 -0.10 1.37 2.99 0.17 -2.71 117.98 121.53 3mx0 s PHE 95 Ca 0.33 -2.60 -0.17 0.00 0.00 0.00 0.00 56.93 54.50 3mx0 s PHE 95 Cb -0.11 -2.39 -0.05 0.00 0.00 0.00 0.00 43.02 40.48 3mx0 s PHE 95 CO 0.26 -0.91 0.43 0.42 -0.00 0.00 0.00 175.22 175.42 3mx0 s ILE 96 N 1.02 5.18 -0.39 0.64 1.01 0.37 -2.59 121.20 126.44 3mx0 s ILE 96 Ca -0.00 0.85 0.01 0.00 0.00 0.00 0.00 60.65 61.51 3mx0 s ILE 96 Cb -0.20 -3.76 0.14 0.00 0.01 0.00 0.00 42.46 38.66 3mx0 s ILE 96 CO -0.06 0.39 0.24 -0.70 0.00 0.00 0.00 174.94 174.81 3mx0 s GLU 97 N 0.27 0.80 0.02 2.79 -6.30 -0.28 -1.87 118.70 114.12 3mx0 s GLU 97 Ca 0.24 -1.63 -0.24 0.00 -2.50 0.00 0.00 54.97 50.83 3mx0 s GLU 97 Cb -0.15 -1.58 -0.05 0.00 0.00 0.00 0.00 34.13 32.35 3mx0 s GLU 97 CO 0.10 -1.23 0.73 -0.51 0.02 0.00 0.00 175.26 174.37 3mx0 s LEU 98 N 0.71 4.43 -0.10 2.70 1.02 -1.21 -3.76 118.68 122.48 3mx0 s LEU 98 Ca 0.20 1.37 0.01 0.00 0.02 0.00 0.00 54.13 55.73 3mx0 s LEU 98 Cb -0.19 -3.17 -0.02 0.00 0.02 0.00 0.00 46.19 42.83 3mx0 s LEU 98 CO -0.03 0.01 -0.11 -0.54 0.02 0.00 0.00 176.35 175.70 3mx0 s LYS 99 N 0.04 3.05 -0.26 1.70 1.02 -0.68 -2.74 119.74 121.87 3mx0 s LYS 99 Ca 0.37 -0.65 -0.26 0.00 0.02 0.00 0.00 55.97 55.45 3mx0 s LYS 99 Cb -0.20 -2.58 0.13 0.00 -0.52 0.00 0.00 37.83 34.67 3mx0 s LYS 99 CO 0.21 0.41 1.09 -0.59 -0.92 0.00 0.00 175.35 175.55 3mx0 s PHE 100 N -0.16 -0.39 -0.08 3.18 -0.00 0.14 -0.38 117.98 120.29 3mx0 s PHE 100 Ca 0.00 0.90 -0.16 0.00 -0.00 0.00 0.00 56.93 57.67 3mx0 s PHE 100 Cb -0.13 0.40 -0.05 0.00 -0.00 0.00 0.00 43.02 43.24 3mx0 s PHE 100 CO 0.03 -0.22 0.42 0.95 -0.00 0.00 0.00 175.22 176.40 3mx0 s THR 101 N -0.08 5.14 -0.06 -4.49 -4.23 -1.25 0.17 115.64 110.84 3mx0 s THR 101 Ca 0.03 0.85 0.05 0.00 -1.18 0.00 0.00 61.69 61.44 3mx0 s THR 101 Cb -0.04 -3.75 -0.02 0.00 1.34 0.00 0.00 72.50 70.03 3mx0 s THR 101 CO -0.06 0.43 -0.22 -0.69 -0.54 0.00 0.00 174.62 173.54 3mx0 s VAL 102 N -0.04 2.34 -0.06 2.29 1.01 -1.26 -3.79 120.40 120.89 3mx0 s VAL 102 Ca 0.24 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 61.16 3mx0 s VAL 102 Cb -0.15 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.31 3mx0 s VAL 102 CO 0.10 0.57 0.23 -0.60 0.00 0.00 0.00 175.10 175.41 3mx0 s ARG 103 N -0.29 3.58 0.59 2.72 3.52 -1.11 0.21 118.95 128.17 3mx0 s ARG 103 Ca 0.01 -0.00 -0.20 0.00 -0.13 0.00 0.00 55.73 55.41 3mx0 s ARG 103 Cb -0.13 -3.16 -0.03 0.00 -1.56 0.00 0.00 34.95 30.06 3mx0 s ARG 103 CO 0.03 0.72 1.27 0.34 -0.81 0.00 0.00 175.30 176.85 3mx0 s ASP 104 N -1.25 5.11 0.00 -2.12 2.15 0.62 -4.62 116.67 116.55 3mx0 s ASP 104 Ca 0.21 2.55 0.27 0.00 0.43 0.00 0.00 52.55 56.01 3mx0 s ASP 104 Cb -0.13 -2.61 0.96 0.00 -0.30 0.00 0.00 42.92 40.83 3mx0 s ASP 104 CO 0.10 -1.66 1.69 0.00 -0.17 0.00 0.00 175.17 175.13 3mx0 n ASN 106 N -0.57 0.40 -0.11 0.00 4.13 -1.26 -4.22 115.26 113.62 3mx0 n ASN 106 Ca 0.14 -0.29 0.15 0.00 1.68 0.00 0.00 54.58 56.27 3mx0 n ASN 106 Cb 0.33 1.69 0.84 0.00 -1.54 0.00 0.00 39.78 41.10 3mx0 n ASN 106 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3mx0 n SER 107 N -2.02 0.36 -4.70 6.41 3.41 -1.25 -4.69 113.62 111.14 3mx0 n SER 107 Ca -0.02 -1.10 -0.40 0.00 -0.26 0.00 0.00 58.87 57.09 3mx0 n SER 107 Cb 0.48 -0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.39 3mx0 n SER 107 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3mx0 s PHE 108 N -2.01 3.53 -0.09 7.33 2.99 -1.26 -4.79 117.98 123.68 3mx0 s PHE 108 Ca 0.45 1.25 -0.11 0.00 0.00 0.00 0.00 56.93 58.52 3mx0 s PHE 108 Cb 0.22 -2.87 -0.09 0.00 0.00 0.00 0.00 43.02 40.28 3mx0 s PHE 108 CO 0.36 -0.02 0.40 -1.35 -0.00 0.00 0.00 175.22 174.62 3mx0 h PRO 109 N 6.96 -0.14 0.07 0.24 0.11 -1.94 -3.31 132.00 133.99 3mx0 h PRO 109 Ca -0.37 0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.77 3mx0 h PRO 109 Cb 1.18 0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.28 3mx0 h PRO 109 CO 0.77 0.13 -0.28 0.78 -0.21 0.00 0.00 178.00 179.20 3mx0 h GLY 110 N -1.00 -0.48 0.00 -0.55 0.00 -1.99 -3.46 103.07 95.59 3mx0 h GLY 110 Ca -0.01 0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.64 3mx0 h GLY 110 CO 0.02 -0.22 0.00 0.61 0.00 0.00 0.00 176.54 176.95 3mx0 n GLY 111 N -1.39 0.46 2.23 4.60 0.00 -1.25 -4.87 105.19 104.97 3mx0 n GLY 111 Ca -0.06 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 3mx0 n GLY 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mx0 n ALA 112 N 1.00 0.18 -0.98 4.61 0.00 -1.26 -4.61 120.51 119.45 3mx0 n ALA 112 Ca 0.00 -0.13 -0.16 0.00 0.00 0.00 0.00 53.44 53.15 3mx0 n ALA 112 Cb 0.10 -1.44 -0.13 0.00 0.00 0.00 0.00 19.45 17.98 3mx0 n ALA 112 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3mx0 n SER 113 N 6.46 5.47 -0.83 0.00 7.64 -1.26 -3.66 113.62 127.45 3mx0 n SER 113 Ca 0.41 -2.43 0.09 0.00 1.01 0.00 0.00 58.87 57.95 3mx0 n SER 113 Cb 0.01 -1.34 0.14 0.00 -1.01 0.00 0.00 64.21 62.01 3mx0 n SER 113 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3mx0 n SER 114 N 2.76 2.87 -4.86 6.43 3.41 -1.26 -5.03 113.62 117.94 3mx0 n SER 114 Ca 0.46 -1.84 -0.30 0.00 -0.26 0.00 0.00 58.87 56.93 3mx0 n SER 114 Cb 0.73 -0.15 0.08 0.00 -0.26 0.00 0.00 64.21 64.60 3mx0 n SER 114 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mx0 n LYS 116 N -3.25 0.64 -2.61 0.00 2.85 -1.08 -4.97 118.16 109.74 3mx0 n LYS 116 Ca 0.07 -1.97 -0.11 0.00 -1.05 0.00 0.00 58.31 55.25 3mx0 n LYS 116 Cb 0.58 2.05 0.03 0.00 -0.65 0.00 0.00 35.03 37.04 3mx0 n LYS 116 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3mx0 n GLU 117 N -0.43 1.98 -3.73 -1.58 4.71 -1.26 -3.31 120.64 117.03 3mx0 n GLU 117 Ca -0.02 -3.64 -0.17 0.00 -0.01 0.00 0.00 57.16 53.32 3mx0 n GLU 117 Cb 0.44 -1.63 -0.16 0.00 -1.01 0.00 0.00 31.44 29.08 3mx0 n GLU 117 CO 0.00 0.00 0.00 0.95 0.09 0.00 0.00 177.13 178.17 3mx0 s THR 118 N -3.90 -0.09 0.25 2.62 -4.23 -1.26 -4.08 115.64 104.94 3mx0 s THR 118 Ca 0.33 0.29 0.01 0.00 -1.18 0.00 0.00 61.69 61.15 3mx0 s THR 118 Cb 0.41 -0.15 -0.00 0.00 1.34 0.00 0.00 72.50 74.09 3mx0 s THR 118 CO -0.02 0.12 0.04 2.22 -0.54 0.00 0.00 174.62 176.44 3mx0 n PHE 119 N 4.65 0.34 -4.75 3.99 1.16 -1.07 -4.73 117.46 117.06 3mx0 n PHE 119 Ca -0.18 -1.38 -0.26 0.00 -1.87 0.00 0.00 57.45 53.77 3mx0 n PHE 119 Cb 0.50 -0.09 -0.16 0.00 -1.61 0.00 0.00 39.48 38.12 3mx0 n PHE 119 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 3mx0 s ASN 120 N -2.42 2.04 -0.10 5.98 -0.87 -0.43 -2.34 114.94 116.79 3mx0 s ASN 120 Ca 0.06 -0.34 -0.09 0.00 -1.57 0.00 0.00 52.86 50.91 3mx0 s ASN 120 Cb 0.00 -0.75 -0.04 0.00 -0.02 0.00 0.00 41.25 40.43 3mx0 s ASN 120 CO 0.04 0.10 0.21 -0.22 -2.57 0.00 0.00 177.10 174.66 3mx0 s LEU 121 N 0.33 4.39 0.00 0.60 2.96 -1.06 -0.49 118.68 125.41 3mx0 s LEU 121 Ca -0.10 0.57 0.00 0.00 -0.22 0.00 0.00 54.13 54.39 3mx0 s LEU 121 Cb -0.14 -2.21 -0.00 0.00 0.50 0.00 0.00 46.19 44.34 3mx0 s LEU 121 CO 0.03 0.35 0.02 -1.22 -1.32 0.00 0.00 176.35 174.22 3mx0 n TYR 122 N 2.15 -0.00 -3.60 5.38 4.02 -0.02 -2.14 117.16 122.95 3mx0 n TYR 122 Ca -0.18 -0.27 -0.11 0.00 -0.01 0.00 0.00 57.90 57.33 3mx0 n TYR 122 Cb 0.54 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.80 3mx0 n TYR 122 CO 0.00 0.00 0.00 1.52 -1.01 0.00 0.00 176.86 177.37 3mx0 s TYR 123 N -1.75 -0.49 -0.07 -0.72 -0.85 -0.79 -3.97 117.35 108.71 3mx0 s TYR 123 Ca 0.02 1.02 0.00 0.00 -0.52 0.00 0.00 57.07 57.59 3mx0 s TYR 123 Cb 0.00 0.39 0.02 0.00 0.38 0.00 0.00 41.96 42.76 3mx0 s TYR 123 CO 0.02 -0.34 -0.05 0.00 -1.52 0.00 0.00 175.55 173.66 3mx0 s ALA 124 N -0.47 0.94 -0.00 9.51 0.00 0.26 -2.38 121.76 129.61 3mx0 s ALA 124 Ca -0.01 -0.26 -0.24 0.00 0.00 0.00 0.00 51.96 51.46 3mx0 s ALA 124 Cb -0.03 -0.65 -0.05 0.00 0.00 0.00 0.00 23.12 22.40 3mx0 s ALA 124 CO -0.00 -0.21 0.71 -1.21 0.00 0.00 0.00 175.76 175.05 3mx0 s GLU 125 N 1.34 4.44 0.09 0.00 2.02 -1.26 -0.18 118.70 125.14 3mx0 s GLU 125 Ca -0.04 0.94 0.00 0.00 0.02 0.00 0.00 54.97 55.89 3mx0 s GLU 125 Cb -0.14 -3.39 -0.04 0.00 0.10 0.00 0.00 34.13 30.66 3mx0 s GLU 125 CO -0.03 0.22 -0.03 0.45 0.02 0.00 0.00 175.26 175.90 3mx0 s SER 126 N 0.22 0.74 -0.30 -0.19 0.15 0.37 -4.96 113.70 109.74 3mx0 s SER 126 Ca 0.37 -1.05 0.08 0.00 0.70 0.00 0.00 55.95 56.05 3mx0 s SER 126 Cb -0.19 0.17 0.49 0.00 -1.71 0.00 0.00 66.02 64.78 3mx0 s SER 126 CO 0.20 -0.57 1.42 0.47 1.20 0.00 0.00 173.24 175.96 3mx0 n ASP 127 N -0.00 2.93 0.00 5.45 8.00 -1.26 -0.54 116.55 131.12 3mx0 n ASP 127 Ca -0.11 -3.81 0.00 0.00 0.71 0.00 0.00 54.79 51.57 3mx0 n ASP 127 Cb 0.62 -0.60 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 3mx0 n ASP 127 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mx0 n LEU 128 N -1.06 0.00 -4.22 0.64 -0.00 -1.26 -4.94 117.00 106.15 3mx0 n LEU 128 Ca 0.34 0.00 -0.60 0.00 -0.00 0.00 0.00 56.01 55.75 3mx0 n LEU 128 Cb 0.96 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 44.26 3mx0 n LEU 128 CO 0.21 0.00 1.56 -0.67 -0.00 0.00 0.00 177.39 178.50 3mx0 n ASP 129 N 0.00 0.82 -0.62 1.45 -0.08 -1.26 -4.74 116.55 112.13 3mx0 n ASP 129 Ca 0.00 0.76 0.00 0.00 -1.51 0.00 0.00 54.79 54.04 3mx0 n ASP 129 Cb 0.00 -0.87 0.00 0.00 2.34 0.00 0.00 41.12 42.59 3mx0 n ASP 129 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 3mx0 n TYR 130 N 6.58 0.00 0.00 -0.67 0.53 -1.26 -4.93 117.16 117.42 3mx0 n TYR 130 Ca 0.49 -0.11 0.00 0.00 -1.02 0.00 0.00 57.90 57.26 3mx0 n TYR 130 Cb -0.04 -0.13 0.00 0.00 -1.03 0.00 0.00 39.34 38.14 3mx0 n TYR 130 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3mx0 n GLY 131 N 0.14 0.41 0.15 2.72 0.00 -1.26 -0.21 105.19 107.13 3mx0 n GLY 131 Ca 0.00 0.67 0.01 0.00 0.00 0.00 0.00 46.02 46.70 3mx0 n GLY 131 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3mx0 n THR 132 N 0.00 0.27 -2.21 2.61 -2.24 -1.26 -4.96 114.28 106.49 3mx0 n THR 132 Ca 0.00 -0.30 -0.40 0.00 -2.27 0.00 0.00 64.05 61.08 3mx0 n THR 132 Cb 0.00 0.70 -0.02 0.00 -2.10 0.00 0.00 70.33 68.91 3mx0 n THR 132 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3mx0 s ASN 133 N -0.62 6.74 0.03 3.42 2.47 0.70 -5.07 114.94 122.61 3mx0 s ASN 133 Ca 0.02 2.53 -0.00 0.00 0.42 0.00 0.00 52.86 55.83 3mx0 s ASN 133 Cb 0.02 -2.64 -0.02 0.00 -1.45 0.00 0.00 41.25 37.16 3mx0 s ASN 133 CO 0.00 -0.54 -0.03 0.12 -3.72 0.00 0.00 177.10 172.93 3mx0 s PHE 134 N -1.22 0.33 -0.25 0.43 5.36 -1.26 -4.82 117.98 116.54 3mx0 s PHE 134 Ca 0.51 -0.65 -0.02 0.00 -0.96 0.00 0.00 56.93 55.81 3mx0 s PHE 134 Cb -0.36 -0.24 0.14 0.00 -0.34 0.00 0.00 43.02 42.22 3mx0 s PHE 134 CO 0.47 -0.23 0.36 -1.14 -1.46 0.00 0.00 175.22 173.22 3mx0 s GLN 135 N -2.01 0.34 0.08 10.12 2.00 -1.26 -5.05 119.66 123.88 3mx0 s GLN 135 Ca -0.11 0.35 -0.35 0.00 -2.00 0.00 0.00 55.36 53.25 3mx0 s GLN 135 Cb -0.06 -0.54 -0.18 0.00 0.80 0.00 0.00 33.01 33.04 3mx0 s GLN 135 CO -0.03 -0.77 1.59 0.87 -0.50 0.00 0.00 175.29 176.45 3mx0 h LYS 136 N 8.20 -1.02 -1.10 1.67 6.56 -2.01 -2.32 116.57 126.55 3mx0 h LYS 136 Ca -0.16 0.07 0.30 0.00 -1.06 0.00 0.00 60.65 59.80 3mx0 h LYS 136 Cb 1.14 0.23 -0.10 0.00 -0.57 0.00 0.00 32.23 32.93 3mx0 h LYS 136 CO 0.28 -0.68 0.71 0.07 -2.06 0.00 0.00 179.45 177.77 3mx0 h ARG 137 N -1.06 0.31 0.00 3.15 0.11 -2.04 0.23 114.38 115.08 3mx0 h ARG 137 Ca -0.08 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.98 3mx0 h ARG 137 Cb 0.86 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.87 3mx0 h ARG 137 CO 0.07 0.20 0.17 1.28 0.10 0.00 0.00 179.97 181.79 3mx0 n LEU 138 N -4.64 0.38 -4.90 0.08 7.99 -0.87 -4.66 117.00 110.38 3mx0 n LEU 138 Ca 0.28 0.61 -0.31 0.00 -0.01 0.00 0.00 56.01 56.57 3mx0 n LEU 138 Cb 1.00 -0.61 -0.04 0.00 -0.11 0.00 0.00 43.42 43.66 3mx0 n LEU 138 CO 0.25 -0.74 -0.03 -0.36 -1.51 0.00 0.00 177.39 175.00 3mx0 s PHE 139 N -3.33 3.49 0.25 -1.77 2.99 0.80 -4.77 117.98 115.64 3mx0 s PHE 139 Ca -0.02 0.46 0.08 0.00 0.00 0.00 0.00 56.93 57.45 3mx0 s PHE 139 Cb 0.04 -1.93 -0.04 0.00 0.00 0.00 0.00 43.02 41.10 3mx0 s PHE 139 CO 0.13 0.49 0.15 0.99 -0.00 0.00 0.00 175.22 176.98 3mx0 s THR 140 N -1.59 4.22 -0.10 0.64 2.01 -1.00 -4.94 115.64 114.87 3mx0 s THR 140 Ca 0.38 -1.51 -0.03 0.00 0.31 0.00 0.00 61.69 60.84 3mx0 s THR 140 Cb -0.12 -3.28 -0.03 0.00 0.01 0.00 0.00 72.50 69.08 3mx0 s THR 140 CO 0.25 -0.35 0.02 -0.75 -0.69 0.00 0.00 174.62 173.10 3mx0 s LYS 141 N -3.79 3.16 0.00 4.92 2.20 -1.26 -1.88 119.74 123.09 3mx0 s LYS 141 Ca 0.32 -0.39 0.00 0.00 -0.36 0.00 0.00 55.97 55.55 3mx0 s LYS 141 Cb -0.08 -2.87 0.00 0.00 -1.51 0.00 0.00 37.83 33.37 3mx0 s LYS 141 CO 0.24 0.64 0.00 -0.89 -0.36 0.00 0.00 175.35 174.97 3mx0 n ILE 142 N 2.36 0.00 -4.29 5.43 5.41 -0.91 -5.00 119.36 122.35 3mx0 n ILE 142 Ca -0.18 0.00 -0.25 0.00 1.00 0.00 0.00 62.75 63.31 3mx0 n ILE 142 Cb 0.54 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 39.38 3mx0 n ILE 142 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 3mx0 s ASP 143 N -1.00 4.24 -0.88 4.38 2.15 -1.26 -4.99 116.67 119.31 3mx0 s ASP 143 Ca 0.00 -1.09 -0.16 0.00 0.43 0.00 0.00 52.55 51.73 3mx0 s ASP 143 Cb 0.00 -0.49 0.18 0.00 -0.30 0.00 0.00 42.92 42.31 3mx0 s ASP 143 CO 0.00 -0.41 0.94 -0.89 -0.17 0.00 0.00 175.17 174.64 3mx0 s THR 144 N -2.59 5.26 0.54 1.71 2.01 -1.26 -2.57 115.64 118.74 3mx0 s THR 144 Ca 0.38 -2.14 -0.21 0.00 0.31 0.00 0.00 61.69 60.02 3mx0 s THR 144 Cb 0.03 -4.61 -0.06 0.00 0.01 0.00 0.00 72.50 67.88 3mx0 s THR 144 CO 0.21 -1.24 1.21 -0.38 -0.69 0.00 0.00 174.62 173.73 3mx0 n ILE 145 N 4.56 3.54 -3.83 1.82 2.08 -0.99 -4.79 119.36 121.76 3mx0 n ILE 145 Ca 0.19 -0.50 -0.09 0.00 0.56 0.00 0.00 62.75 62.90 3mx0 n ILE 145 Cb 0.48 -1.47 -0.06 0.00 -0.75 0.00 0.00 39.64 37.84 3mx0 n ILE 145 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3mx0 s ALA 146 N -1.33 -0.38 0.38 -1.39 0.00 -1.26 -2.58 121.76 115.19 3mx0 s ALA 146 Ca 0.71 -0.54 -0.24 0.00 0.00 0.00 0.00 51.96 51.88 3mx0 s ALA 146 Cb -0.44 0.70 -0.09 0.00 0.00 0.00 0.00 23.12 23.28 3mx0 s ALA 146 CO 0.50 -0.62 1.03 -2.14 0.00 0.00 0.00 175.76 174.53 3mx0 s PRO 147 N -3.89 4.25 -0.07 0.00 0.02 -1.26 -4.94 135.00 129.12 3mx0 s PRO 147 Ca 0.09 1.47 0.19 0.00 0.02 0.00 0.00 61.00 62.77 3mx0 s PRO 147 Cb 0.03 -2.58 0.66 0.00 0.02 0.00 0.00 34.50 32.63 3mx0 s PRO 147 CO -0.07 -0.06 1.57 -0.25 -0.33 0.00 0.00 177.00 177.86 3mx0 n ASP 148 N 0.04 4.33 -3.15 2.53 10.43 -1.26 -4.86 116.55 124.61 3mx0 n ASP 148 Ca 0.04 -2.27 0.05 0.00 2.57 0.00 0.00 54.79 55.19 3mx0 n ASP 148 Cb 0.50 -0.52 -0.02 0.00 1.84 0.00 0.00 41.12 42.92 3mx0 n ASP 148 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 3mx0 s GLU 149 N -1.51 0.18 0.01 -1.24 2.12 -1.26 -5.07 118.70 111.93 3mx0 s GLU 149 Ca 0.48 0.31 -0.25 0.00 0.36 0.00 0.00 54.97 55.87 3mx0 s GLU 149 Cb 0.29 0.17 -0.05 0.00 0.26 0.00 0.00 34.13 34.80 3mx0 s GLU 149 CO 0.27 -0.20 0.78 0.42 -0.54 0.00 0.00 175.26 175.99 3mx0 s ILE 150 N 2.96 4.82 -0.35 -3.70 -1.09 -1.26 -4.39 121.20 118.19 3mx0 s ILE 150 Ca -0.00 1.65 -0.29 0.00 -2.23 0.00 0.00 60.65 59.78 3mx0 s ILE 150 Cb -0.10 -4.13 0.02 0.00 -1.58 0.00 0.00 42.46 36.67 3mx0 s ILE 150 CO -0.11 0.31 1.16 -0.89 -1.23 0.00 0.00 174.94 174.17 3mx0 s THR 151 N 0.31 4.33 0.46 2.92 2.01 0.13 -4.84 115.64 120.96 3mx0 s THR 151 Ca 0.40 1.49 0.08 0.00 0.31 0.00 0.00 61.69 63.97 3mx0 s THR 151 Cb -0.20 -4.38 0.01 0.00 0.01 0.00 0.00 72.50 67.94 3mx0 s THR 151 CO 0.23 -0.60 0.48 0.68 -0.69 0.00 0.00 174.62 174.72 3mx0 s VAL 152 N 4.06 2.47 -0.58 3.82 -7.23 -1.26 -0.28 120.40 121.40 3mx0 s VAL 152 Ca 0.49 -1.25 0.03 0.00 -1.81 0.00 0.00 61.98 59.44 3mx0 s VAL 152 Cb -0.12 -2.73 0.03 0.00 0.56 0.00 0.00 36.38 34.12 3mx0 s VAL 152 CO 0.21 0.00 0.98 -1.54 -0.31 0.00 0.00 175.10 174.44 3mx0 n SER 153 N -1.74 0.09 -0.08 4.85 3.41 -1.26 -0.94 113.62 117.94 3mx0 n SER 153 Ca 0.05 0.42 -0.14 0.00 -0.26 0.00 0.00 58.87 58.94 3mx0 n SER 153 Cb 0.62 -0.41 -0.14 0.00 -0.26 0.00 0.00 64.21 64.01 3mx0 n SER 153 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3mx0 n SER 154 N -1.52 1.19 0.00 4.04 3.41 -1.26 -4.07 113.62 115.41 3mx0 n SER 154 Ca -0.00 0.06 0.04 0.00 -0.26 0.00 0.00 58.87 58.70 3mx0 n SER 154 Cb 0.16 0.02 0.23 0.00 -0.26 0.00 0.00 64.21 64.36 3mx0 n SER 154 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3mx0 n ASP 155 N -3.10 0.00 -0.05 4.04 8.00 -0.12 -2.63 116.55 122.69 3mx0 n ASP 155 Ca -0.35 -0.77 -0.04 0.00 0.71 0.00 0.00 54.79 54.34 3mx0 n ASP 155 Cb 1.07 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 42.15 3mx0 n ASP 155 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3mx0 n PHE 156 N -0.74 0.23 -0.33 1.24 3.01 -1.23 0.12 117.46 119.77 3mx0 n PHE 156 Ca 0.06 0.10 0.23 0.00 1.01 0.00 0.00 57.45 58.84 3mx0 n PHE 156 Cb 0.03 -0.40 0.43 0.00 -0.01 0.00 0.00 39.48 39.53 3mx0 n PHE 156 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 3mx0 h GLU 157 N -0.56 0.08 0.00 -1.08 4.11 -1.65 1.68 114.58 117.16 3mx0 h GLU 157 Ca 0.00 -0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.37 3mx0 h GLU 157 Cb 0.44 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.66 3mx0 h GLU 157 CO 0.00 0.05 -0.28 0.00 0.07 0.00 0.00 179.01 178.86 3mx0 h ALA 158 N 1.94 0.83 -4.09 1.06 0.00 -1.76 -3.47 119.26 113.76 3mx0 h ALA 158 Ca 0.71 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 55.25 3mx0 h ALA 158 Cb 1.68 -0.04 0.09 0.00 0.00 0.00 0.00 17.79 19.52 3mx0 h ALA 158 CO -0.78 0.35 -0.39 0.54 0.00 0.00 0.00 179.25 178.96 3mx0 n ARG 159 N -3.19 -1.23 -4.04 0.00 1.74 0.57 -5.05 116.66 105.46 3mx0 n ARG 159 Ca 0.03 0.40 -0.35 0.00 -0.77 0.00 0.00 57.85 57.16 3mx0 n ARG 159 Cb 0.62 -3.56 -0.09 0.00 -1.02 0.00 0.00 32.46 28.41 3mx0 n ARG 159 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 3mx0 s HIS 160 N -3.18 3.29 -0.72 -1.55 2.46 0.32 -4.98 115.29 110.93 3mx0 s HIS 160 Ca 0.19 0.17 -0.15 0.00 0.47 0.00 0.00 55.06 55.74 3mx0 s HIS 160 Cb -0.03 -2.01 0.18 0.00 -0.13 0.00 0.00 32.58 30.59 3mx0 s HIS 160 CO 0.34 0.29 0.67 0.08 -2.47 0.00 0.00 174.74 173.66 3mx0 s VAL 161 N -0.04 5.45 -1.03 0.89 1.01 -1.26 -4.54 120.40 120.88 3mx0 s VAL 161 Ca 0.06 -2.10 -0.21 0.00 0.00 0.00 0.00 61.98 59.73 3mx0 s VAL 161 Cb -0.12 -4.42 0.07 0.00 0.00 0.00 0.00 36.38 31.91 3mx0 s VAL 161 CO 0.01 -0.97 1.41 -0.54 0.00 0.00 0.00 175.10 175.00 3mx0 s LYS 162 N 0.73 3.64 -0.02 2.72 3.01 -1.26 -4.98 119.74 123.58 3mx0 s LYS 162 Ca 0.12 -1.37 -0.15 0.00 -1.01 0.00 0.00 55.97 53.57 3mx0 s LYS 162 Cb -0.18 -5.28 -0.05 0.00 -1.01 0.00 0.00 37.83 31.31 3mx0 s LYS 162 CO -0.04 -2.11 0.42 -1.17 0.51 0.00 0.00 175.35 172.95 3mx0 s LEU 163 N 4.36 4.44 -0.18 3.17 2.96 -1.26 -4.13 118.68 128.03 3mx0 s LEU 163 Ca 0.44 0.93 -0.06 0.00 -0.22 0.00 0.00 54.13 55.22 3mx0 s LEU 163 Cb -0.01 -2.60 -0.03 0.00 0.50 0.00 0.00 46.19 44.05 3mx0 s LEU 163 CO -0.08 0.27 0.02 0.20 -1.32 0.00 0.00 176.35 175.44 3mx0 s ASN 164 N -0.78 5.20 -0.23 3.68 0.01 0.46 -4.87 114.94 118.41 3mx0 s ASN 164 Ca 0.24 -0.06 -0.06 0.00 -0.71 0.00 0.00 52.86 52.27 3mx0 s ASN 164 Cb -0.16 -1.88 -0.02 0.00 0.41 0.00 0.00 41.25 39.59 3mx0 s ASN 164 CO 0.13 0.13 0.02 0.68 -1.51 0.00 0.00 177.10 176.55 3mx0 s VAL 165 N 0.60 3.91 0.14 1.60 -7.23 -1.26 0.25 120.40 118.41 3mx0 s VAL 165 Ca 0.01 -0.31 0.05 0.00 -1.81 0.00 0.00 61.98 59.92 3mx0 s VAL 165 Cb -0.14 -2.81 -0.04 0.00 0.56 0.00 0.00 36.38 33.96 3mx0 s VAL 165 CO 0.02 0.38 -0.12 -1.61 -0.31 0.00 0.00 175.10 173.46 3mx0 s GLU 166 N 1.53 1.07 0.05 4.82 0.41 -1.11 -4.97 118.70 120.50 3mx0 s GLU 166 Ca 0.06 -1.39 -0.06 0.00 -0.41 0.00 0.00 54.97 53.17 3mx0 s GLU 166 Cb -0.15 -0.77 -0.01 0.00 -1.78 0.00 0.00 34.13 31.42 3mx0 s GLU 166 CO 0.01 0.12 0.10 -2.00 -0.49 0.00 0.00 175.26 173.00 3mx0 s GLU 167 N -3.34 0.64 0.09 1.61 2.12 -1.26 -3.31 118.70 115.25 3mx0 s GLU 167 Ca 0.14 -0.83 -0.09 0.00 0.36 0.00 0.00 54.97 54.55 3mx0 s GLU 167 Cb -0.01 0.25 0.03 0.00 0.26 0.00 0.00 34.13 34.67 3mx0 s GLU 167 CO 0.02 -0.17 0.43 0.54 -0.54 0.00 0.00 175.26 175.55 3mx0 n ARG 168 N 0.54 0.30 -3.87 4.30 5.12 -0.78 -5.05 116.66 117.22 3mx0 n ARG 168 Ca -0.18 -0.67 0.04 0.00 -1.93 0.00 0.00 57.85 55.11 3mx0 n ARG 168 Cb 0.59 0.90 0.01 0.00 -1.16 0.00 0.00 32.46 32.80 3mx0 n ARG 168 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3mx0 s SER 169 N -2.03 -0.00 -0.15 0.55 1.04 -1.26 -0.48 113.70 111.37 3mx0 s SER 169 Ca 0.09 -0.03 -0.30 0.00 0.48 0.00 0.00 55.95 56.20 3mx0 s SER 169 Cb -0.01 0.02 0.12 0.00 0.10 0.00 0.00 66.02 66.25 3mx0 s SER 169 CO 0.03 -0.04 0.97 0.54 0.98 0.00 0.00 173.24 175.72 3mx0 s VAL 170 N -2.02 0.00 0.35 5.02 0.11 -1.10 -4.98 120.40 117.78 3mx0 s VAL 170 Ca 0.26 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 59.17 3mx0 s VAL 170 Cb 0.03 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.91 3mx0 s VAL 170 CO -0.04 0.00 0.70 -0.83 -3.33 0.00 0.00 175.10 171.60 3mx0 s GLY 171 N -1.12 0.46 0.22 6.54 0.00 -1.26 -2.47 107.32 109.68 3mx0 s GLY 171 Ca -0.02 -0.79 0.04 0.00 0.00 0.00 0.00 44.72 43.95 3mx0 s GLY 171 CO 0.02 -0.40 0.34 2.56 0.00 0.00 0.00 173.10 175.62 3mx0 s PRO 172 N -2.88 3.44 -0.49 2.90 0.04 -1.26 -5.07 135.00 131.68 3mx0 s PRO 172 Ca 0.17 -0.72 -0.09 0.00 0.04 0.00 0.00 61.00 60.40 3mx0 s PRO 172 Cb -0.04 -2.91 0.13 0.00 0.04 0.00 0.00 34.50 31.72 3mx0 s PRO 172 CO 0.12 0.45 0.37 -0.51 0.04 0.00 0.00 177.00 177.47 3mx0 s LEU 173 N -3.80 5.75 -0.04 -3.56 1.43 0.18 -4.97 118.68 113.67 3mx0 s LEU 173 Ca 0.34 -1.97 -0.26 0.00 -1.03 0.00 0.00 54.13 51.21 3mx0 s LEU 173 Cb -0.09 -2.02 -0.21 0.00 0.03 0.00 0.00 46.19 43.89 3mx0 s LEU 173 CO 0.29 -0.69 1.17 0.71 0.23 0.00 0.00 176.35 178.06 3mx0 h THR 174 N 6.04 1.47 -4.03 5.49 1.35 -1.92 -3.45 112.91 117.86 3mx0 h THR 174 Ca -0.20 -1.43 -0.48 0.00 -0.55 0.00 0.00 66.41 63.75 3mx0 h THR 174 Cb 1.07 2.40 0.01 0.00 -1.73 0.00 0.00 68.15 69.90 3mx0 h THR 174 CO 0.86 0.38 0.29 -0.13 -0.25 0.00 0.00 175.52 176.67 3mx0 s ARG 175 N -3.82 3.89 0.04 4.72 0.52 -1.26 -4.97 118.95 118.08 3mx0 s ARG 175 Ca -0.16 0.79 -0.08 0.00 -0.52 0.00 0.00 55.73 55.76 3mx0 s ARG 175 Cb 0.01 -2.22 -0.02 0.00 0.52 0.00 0.00 34.95 33.24 3mx0 s ARG 175 CO 0.69 -0.19 0.41 0.36 0.02 0.00 0.00 175.30 176.58 3mx0 n LYS 176 N -1.48 -0.11 -3.70 3.54 2.85 -1.24 -4.69 118.16 113.32 3mx0 n LYS 176 Ca 0.05 0.40 -0.11 0.00 -1.05 0.00 0.00 58.31 57.60 3mx0 n LYS 176 Cb 0.54 -0.59 -0.06 0.00 -0.65 0.00 0.00 35.03 34.27 3mx0 n LYS 176 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3mx0 s GLY 177 N -2.73 -0.19 0.23 2.58 0.00 0.30 -1.97 107.32 105.53 3mx0 s GLY 177 Ca -0.03 0.03 0.04 0.00 0.00 0.00 0.00 44.72 44.76 3mx0 s GLY 177 CO 0.16 -0.21 -0.04 -0.11 0.00 0.00 0.00 173.10 172.90 3mx0 s PHE 178 N -2.99 1.60 0.02 1.90 -0.12 0.62 0.14 117.98 119.14 3mx0 s PHE 178 Ca -0.02 -0.84 0.09 0.00 -0.05 0.00 0.00 56.93 56.11 3mx0 s PHE 178 Cb 0.00 -0.90 -0.03 0.00 -0.63 0.00 0.00 43.02 41.47 3mx0 s PHE 178 CO -0.06 0.06 -0.26 0.71 -0.05 0.00 0.00 175.22 175.62 3mx0 s TYR 179 N -3.31 2.34 0.00 3.49 2.02 0.74 -1.15 117.35 121.48 3mx0 s TYR 179 Ca 0.27 -0.41 0.00 0.00 -0.37 0.00 0.00 57.07 56.55 3mx0 s TYR 179 Cb 0.05 -1.43 0.00 0.00 -0.40 0.00 0.00 41.96 40.17 3mx0 s TYR 179 CO 0.08 0.07 0.00 1.28 -1.57 0.00 0.00 175.55 175.41 3mx0 n LEU 180 N 2.01 0.00 0.00 -1.29 4.77 -1.26 -0.58 117.00 120.65 3mx0 n LEU 180 Ca -0.17 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 3mx0 n LEU 180 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 3mx0 n LEU 180 CO 0.23 -0.28 0.00 0.00 -1.33 0.00 0.00 177.39 176.01 3mx0 n ALA 181 N -3.00 0.00 -2.39 -1.18 0.00 -1.25 -4.08 120.51 108.60 3mx0 n ALA 181 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 3mx0 n ALA 181 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 3mx0 n ALA 181 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3mx0 s PHE 182 N -1.57 2.21 -0.11 0.00 0.08 -0.73 -0.84 117.98 117.02 3mx0 s PHE 182 Ca 0.00 -0.40 -0.01 0.00 0.12 0.00 0.00 56.93 56.64 3mx0 s PHE 182 Cb 0.00 -1.29 -0.02 0.00 -0.57 0.00 0.00 43.02 41.14 3mx0 s PHE 182 CO 0.00 0.18 -0.09 -1.14 -0.10 0.00 0.00 175.22 174.07 3mx0 s GLN 183 N -1.47 3.23 -0.14 0.44 0.74 0.36 -1.96 119.66 120.85 3mx0 s GLN 183 Ca 0.11 -0.60 0.02 0.00 0.05 0.00 0.00 55.36 54.94 3mx0 s GLN 183 Cb -0.10 -2.68 0.01 0.00 1.10 0.00 0.00 33.01 31.34 3mx0 s GLN 183 CO 0.03 0.38 -0.21 0.34 -0.55 0.00 0.00 175.29 175.27 3mx0 s ASP 184 N -0.04 3.15 -0.40 6.67 2.15 -0.23 -1.32 116.67 126.65 3mx0 s ASP 184 Ca -0.01 -0.60 0.06 0.00 0.43 0.00 0.00 52.55 52.43 3mx0 s ASP 184 Cb -0.14 -1.46 0.66 0.00 -0.30 0.00 0.00 42.92 41.69 3mx0 s ASP 184 CO 0.03 0.07 1.83 2.30 -0.17 0.00 0.00 175.17 179.24 3mx0 n ILE 185 N 4.11 3.06 -1.12 4.11 -5.35 -1.26 -0.44 119.36 122.48 3mx0 n ILE 185 Ca -0.20 -1.97 0.00 0.00 -0.27 0.00 0.00 62.75 60.31 3mx0 n ILE 185 Cb 0.51 -0.43 0.00 0.00 -1.74 0.00 0.00 39.64 37.99 3mx0 n ILE 185 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3mx0 n GLY 186 N -0.94 -2.21 3.61 3.28 0.00 -1.26 -4.61 105.19 103.05 3mx0 n GLY 186 Ca 0.52 -0.51 -0.07 0.00 0.00 0.00 0.00 46.02 45.96 3mx0 n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mx0 s ALA 187 N 0.00 -1.67 -0.94 4.61 0.00 -1.26 -2.65 121.76 119.85 3mx0 s ALA 187 Ca 0.00 0.50 -0.00 0.00 0.00 0.00 0.00 51.96 52.46 3mx0 s ALA 187 Cb 0.00 0.61 0.31 0.00 0.00 0.00 0.00 23.12 24.04 3mx0 s ALA 187 CO 0.00 -0.86 1.48 0.00 0.00 0.00 0.00 175.76 176.39 3mx0 n VAL 189 N 0.44 0.00 0.00 0.00 0.24 -1.21 -2.73 118.33 115.07 3mx0 n VAL 189 Ca 0.36 -0.98 0.00 0.00 -2.04 0.00 0.00 64.34 61.68 3mx0 n VAL 189 Cb 0.32 -1.02 0.00 0.00 -1.47 0.00 0.00 33.84 31.67 3mx0 n VAL 189 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3mx0 n ALA 190 N -2.88 0.00 -1.94 2.33 0.00 -1.25 -3.11 120.51 113.66 3mx0 n ALA 190 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.00 3mx0 n ALA 190 Cb 0.35 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.77 3mx0 n ALA 190 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3mx0 s LEU 191 N 0.00 3.27 -0.11 0.00 1.43 0.16 -3.91 118.68 119.51 3mx0 s LEU 191 Ca 0.00 0.27 -0.28 0.00 -1.03 0.00 0.00 54.13 53.09 3mx0 s LEU 191 Cb 0.00 -2.53 -0.25 0.00 0.03 0.00 0.00 46.19 43.44 3mx0 s LEU 191 CO 0.00 -2.60 0.90 -0.07 0.23 0.00 0.00 176.35 174.82 3mx0 h LEU 192 N 17.50 0.01 -7.85 1.79 -0.00 -1.02 -2.69 115.31 123.05 3mx0 h LEU 192 Ca -0.18 -0.87 -0.45 0.00 -0.00 0.00 0.00 57.88 56.38 3mx0 h LEU 192 Cb 1.15 -0.00 -0.34 0.00 -0.00 0.00 0.00 40.66 41.47 3mx0 h LEU 192 CO 1.20 0.88 -0.79 -0.55 -0.00 0.00 0.00 178.44 179.18 3mx0 s SER 193 N -6.10 1.26 -0.08 -0.43 0.15 -0.29 -4.53 113.70 103.68 3mx0 s SER 193 Ca -0.18 -0.20 0.03 0.00 0.70 0.00 0.00 55.95 56.30 3mx0 s SER 193 Cb -0.02 -0.59 -0.02 0.00 -1.71 0.00 0.00 66.02 63.68 3mx0 s SER 193 CO 0.69 -0.01 -0.16 -0.69 1.20 0.00 0.00 173.24 174.27 3mx0 s VAL 194 N 0.77 2.89 -0.16 4.45 1.01 -1.26 -1.68 120.40 126.41 3mx0 s VAL 194 Ca -0.13 -0.76 -0.05 0.00 0.00 0.00 0.00 61.98 61.04 3mx0 s VAL 194 Cb -0.15 -2.15 0.08 0.00 0.00 0.00 0.00 36.38 34.17 3mx0 s VAL 194 CO 0.02 0.57 0.31 -0.60 0.00 0.00 0.00 175.10 175.40 3mx0 s ARG 195 N -0.30 0.22 -0.07 2.72 3.52 -1.25 -1.07 118.95 122.72 3mx0 s ARG 195 Ca 0.02 0.76 0.05 0.00 -0.13 0.00 0.00 55.73 56.44 3mx0 s ARG 195 Cb -0.13 -0.07 -0.01 0.00 -1.56 0.00 0.00 34.95 33.19 3mx0 s ARG 195 CO 0.03 -0.34 -0.24 0.08 -0.81 0.00 0.00 175.30 174.01 3mx0 s VAL 196 N 2.48 2.09 0.07 7.11 1.01 -0.04 -1.13 120.40 132.00 3mx0 s VAL 196 Ca 0.02 -1.04 -0.22 0.00 0.00 0.00 0.00 61.98 60.74 3mx0 s VAL 196 Cb -0.13 -1.77 0.05 0.00 0.00 0.00 0.00 36.38 34.54 3mx0 s VAL 196 CO -0.11 0.57 0.52 -0.72 0.00 0.00 0.00 175.10 175.37 3mx0 s TYR 197 N -0.00 -0.42 0.22 5.22 -0.00 -1.07 0.12 117.35 121.41 3mx0 s TYR 197 Ca -0.08 0.39 0.02 0.00 -0.00 0.00 0.00 57.07 57.40 3mx0 s TYR 197 Cb -0.15 0.37 -0.01 0.00 -0.00 0.00 0.00 41.96 42.17 3mx0 s TYR 197 CO 0.05 -0.69 0.07 2.48 -0.00 0.00 0.00 175.55 177.47 3mx0 n TYR 198 N 0.20 0.10 -4.09 -3.49 0.18 -0.15 0.43 117.16 110.35 3mx0 n TYR 198 Ca -0.18 -1.36 -0.24 0.00 1.88 0.00 0.00 57.90 58.01 3mx0 n TYR 198 Cb 0.61 -0.01 -0.17 0.00 -0.38 0.00 0.00 39.34 39.39 3mx0 n TYR 198 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 3mx0 s LYS 199 N -2.82 1.17 0.11 -3.48 1.02 -1.26 -1.59 119.74 112.89 3mx0 s LYS 199 Ca 0.10 -0.17 0.05 0.00 0.02 0.00 0.00 55.97 55.98 3mx0 s LYS 199 Cb 0.00 -1.21 -0.04 0.00 -0.52 0.00 0.00 37.83 36.07 3mx0 s LYS 199 CO 0.07 -0.16 -0.13 -1.59 -0.92 0.00 0.00 175.35 172.62 3mx0 s LYS 200 N 1.33 0.94 -0.16 1.68 -2.85 -1.20 0.54 119.74 120.03 3mx0 s LYS 200 Ca -0.04 -1.16 -0.18 0.00 -1.00 0.00 0.00 55.97 53.59 3mx0 s LYS 200 Cb -0.14 -0.81 -0.04 0.00 -2.06 0.00 0.00 37.83 34.79 3mx0 s LYS 200 CO -0.03 0.16 0.49 0.00 0.10 0.00 0.00 175.35 176.07 3mx0 n PRO 202 N 4.22 1.14 -1.85 0.00 -0.04 -1.26 -2.22 135.00 135.00 3mx0 n PRO 202 Ca -0.06 0.42 -0.40 0.00 -0.04 0.00 0.00 63.50 63.41 3mx0 n PRO 202 Cb 0.51 -2.02 0.00 0.00 -0.04 0.00 0.00 33.50 31.95 3mx0 n PRO 202 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3mx0 s GLU 203 N -2.17 3.96 -0.05 0.54 2.12 -1.24 -4.62 118.70 117.24 3mx0 s GLU 203 Ca 0.67 2.45 -0.03 0.00 0.36 0.00 0.00 54.97 58.42 3mx0 s GLU 203 Cb -0.51 -2.84 0.03 0.00 0.26 0.00 0.00 34.13 31.06 3mx0 s GLU 203 CO 0.54 -0.61 0.12 -1.17 -0.54 0.00 0.00 175.26 173.61 3mx0 s LEU 204 N -2.33 1.13 -0.30 2.70 0.20 -0.82 -4.92 118.68 114.35 3mx0 s LEU 204 Ca 0.56 0.25 -0.06 0.00 0.69 0.00 0.00 54.13 55.57 3mx0 s LEU 204 Cb -0.44 0.34 0.02 0.00 -0.43 0.00 0.00 46.19 45.68 3mx0 s LEU 204 CO 0.59 -0.10 0.06 -0.76 -0.29 0.00 0.00 176.35 175.85 3mx0 s LEU 205 N 0.66 3.85 -0.42 -0.68 1.43 -1.26 -0.88 118.68 121.38 3mx0 s LEU 205 Ca -0.05 -0.87 0.03 0.00 -1.03 0.00 0.00 54.13 52.21 3mx0 s LEU 205 Cb -0.07 -1.83 0.16 0.00 0.03 0.00 0.00 46.19 44.48 3mx0 s LEU 205 CO -0.03 -0.22 0.32 -1.58 0.23 0.00 0.00 176.35 175.07 3mx0 s GLN 206 N 1.43 0.96 0.00 1.70 2.00 -1.16 -4.93 119.66 119.67 3mx0 s GLN 206 Ca 0.01 -2.03 0.00 0.00 -2.00 0.00 0.00 55.36 51.34 3mx0 s GLN 206 Cb -0.18 -1.58 0.00 0.00 0.80 0.00 0.00 33.01 32.05 3mx0 s GLN 206 CO 0.01 -1.33 0.00 0.41 -0.50 0.00 0.00 175.29 173.88 3mx0 n GLY 207 N 3.07 1.00 2.08 2.59 0.00 -1.26 -4.32 105.19 108.35 3mx0 n GLY 207 Ca 0.24 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3mx0 n GLY 207 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mx0 n LEU 208 N -0.23 0.00 -4.58 0.99 4.77 -1.26 -3.49 117.00 113.20 3mx0 n LEU 208 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.65 3mx0 n LEU 208 Cb 0.26 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.23 3mx0 n LEU 208 CO 0.00 0.00 -0.39 0.00 -1.33 0.00 0.00 177.39 175.67 3mx0 s ALA 209 N -3.37 2.96 -0.19 -1.18 0.00 -1.26 -0.16 121.76 118.57 3mx0 s ALA 209 Ca 0.00 -0.94 -0.09 0.00 0.00 0.00 0.00 51.96 50.92 3mx0 s ALA 209 Cb 0.00 -1.17 -0.05 0.00 0.00 0.00 0.00 23.12 21.90 3mx0 s ALA 209 CO 0.00 0.58 0.13 -1.58 0.00 0.00 0.00 175.76 174.90 3mx0 s HIS 210 N -0.87 3.44 -0.07 0.00 2.46 0.50 -2.98 115.29 117.78 3mx0 s HIS 210 Ca 0.14 0.36 0.05 0.00 0.47 0.00 0.00 55.06 56.07 3mx0 s HIS 210 Cb -0.11 -2.12 -0.01 0.00 -0.13 0.00 0.00 32.58 30.21 3mx0 s HIS 210 CO 0.03 0.36 -0.21 -0.06 -2.47 0.00 0.00 174.74 172.39 3mx0 s PHE 211 N 0.13 2.55 0.81 3.88 0.08 -0.06 -1.89 117.98 123.47 3mx0 s PHE 211 Ca 0.09 -0.66 -0.08 0.00 0.12 0.00 0.00 56.93 56.40 3mx0 s PHE 211 Cb -0.11 -1.65 0.13 0.00 -0.57 0.00 0.00 43.02 40.82 3mx0 s PHE 211 CO -0.01 -0.18 0.30 -2.30 -0.10 0.00 0.00 175.22 172.93 3mx0 n PRO 212 N 3.00 -0.45 -3.70 0.24 -0.02 -1.26 -1.94 135.00 130.87 3mx0 n PRO 212 Ca -0.18 -0.50 -0.36 0.00 -2.02 0.00 0.00 63.50 60.44 3mx0 n PRO 212 Cb 0.52 -1.25 -0.07 0.00 -0.02 0.00 0.00 33.50 32.68 3mx0 n PRO 212 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3mx0 s GLU 213 N -2.99 4.01 -0.06 -0.52 2.12 -1.26 -3.56 118.70 116.45 3mx0 s GLU 213 Ca 0.23 -0.08 -0.18 0.00 0.36 0.00 0.00 54.97 55.30 3mx0 s GLU 213 Cb -0.04 -3.36 0.04 0.00 0.26 0.00 0.00 34.13 31.03 3mx0 s GLU 213 CO 0.19 0.42 0.41 0.95 -0.54 0.00 0.00 175.26 176.69 3mx0 s THR 214 N -0.03 0.03 -0.01 -1.70 -4.23 -0.94 -4.91 115.64 103.85 3mx0 s THR 214 Ca 0.13 -0.26 -0.27 0.00 -1.18 0.00 0.00 61.69 60.10 3mx0 s THR 214 Cb -0.12 -0.68 -0.04 0.00 1.34 0.00 0.00 72.50 73.00 3mx0 s THR 214 CO 0.02 -0.15 0.85 -0.63 -0.54 0.00 0.00 174.62 174.17 3mx0 s ILE 215 N -0.90 4.90 0.00 2.99 -1.09 -1.26 -0.12 121.20 125.71 3mx0 s ILE 215 Ca -0.10 1.78 0.00 0.00 -2.23 0.00 0.00 60.65 60.11 3mx0 s ILE 215 Cb -0.04 -4.19 0.00 0.00 -1.58 0.00 0.00 42.46 36.65 3mx0 s ILE 215 CO 0.04 0.23 0.00 0.00 -1.23 0.00 0.00 174.94 173.98 3mx0 n ALA 216 N 3.66 0.00 -3.91 9.38 0.00 0.19 -4.91 120.51 124.93 3mx0 n ALA 216 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.50 3mx0 n ALA 216 Cb 0.51 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.97 3mx0 n ALA 216 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3mx0 s GLY 217 N 0.00 -0.26 -0.09 0.00 0.00 -1.26 -4.94 107.32 100.77 3mx0 s GLY 217 Ca 0.00 0.32 -0.27 0.00 0.00 0.00 0.00 44.72 44.77 3mx0 s GLY 217 CO 0.00 4.94 0.95 0.23 0.00 0.00 0.00 173.10 179.23 3mx0 h SER 218 N 2.00 -0.01 -4.18 1.64 0.87 -1.94 -3.44 113.55 108.48 3mx0 h SER 218 Ca -0.23 -0.74 -0.51 0.00 -1.23 0.00 0.00 61.79 59.07 3mx0 h SER 218 Cb 1.18 0.00 0.11 0.00 -0.44 0.00 0.00 62.40 63.26 3mx0 h SER 218 CO 0.30 0.75 0.39 -1.81 -0.53 0.00 0.00 176.83 175.93 3mx0 s ASP 219 N -5.95 4.96 0.05 6.23 1.11 -1.26 -4.88 116.67 116.92 3mx0 s ASP 219 Ca -0.17 2.12 -0.14 0.00 0.18 0.00 0.00 52.55 54.53 3mx0 s ASP 219 Cb -0.01 -2.57 -0.30 0.00 1.07 0.00 0.00 42.92 41.11 3mx0 s ASP 219 CO 0.66 -1.74 1.08 0.00 1.18 0.00 0.00 175.17 176.35 3mx0 h ALA 220 N 0.11 -0.04 -1.06 5.23 0.00 -2.03 -3.01 119.26 118.47 3mx0 h ALA 220 Ca -0.47 -0.80 -0.78 0.00 0.00 0.00 0.00 54.91 52.86 3mx0 h ALA 220 Cb 1.26 0.12 -0.21 0.00 0.00 0.00 0.00 17.79 18.96 3mx0 h ALA 220 CO 0.53 0.70 1.58 -0.35 0.00 0.00 0.00 179.25 181.72 3mx0 n PRO 221 N -3.76 4.97 -3.61 0.00 -0.05 -1.26 -4.73 135.00 126.56 3mx0 n PRO 221 Ca -0.14 -4.16 -0.40 0.00 -0.05 0.00 0.00 63.50 58.75 3mx0 n PRO 221 Cb 1.02 -2.56 -0.11 0.00 -0.05 0.00 0.00 33.50 31.80 3mx0 n PRO 221 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 175.50 175.90 3mx0 s SER 222 N -0.63 5.68 -0.50 3.54 0.15 -1.14 -5.03 113.70 115.77 3mx0 s SER 222 Ca 0.44 -1.17 -0.15 0.00 0.70 0.00 0.00 55.95 55.78 3mx0 s SER 222 Cb 0.17 -2.00 0.11 0.00 -1.71 0.00 0.00 66.02 62.59 3mx0 s SER 222 CO -0.09 -0.43 0.44 -0.76 1.20 0.00 0.00 173.24 173.59 3mx0 s LEU 223 N 1.51 5.90 -0.11 3.45 1.43 -1.26 -4.01 118.68 125.59 3mx0 s LEU 223 Ca 0.02 -1.65 -0.34 0.00 -1.03 0.00 0.00 54.13 51.12 3mx0 s LEU 223 Cb -0.20 -2.16 -0.12 0.00 0.03 0.00 0.00 46.19 43.74 3mx0 s LEU 223 CO 0.05 -0.76 1.91 0.00 0.23 0.00 0.00 176.35 177.78 3mx0 n ALA 224 N 5.17 0.90 -2.58 4.21 0.00 0.87 -4.79 120.51 124.30 3mx0 n ALA 224 Ca -0.13 0.25 -0.40 0.00 0.00 0.00 0.00 53.44 53.17 3mx0 n ALA 224 Cb 0.41 -2.51 -0.11 0.00 0.00 0.00 0.00 19.45 17.24 3mx0 n ALA 224 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3mx0 s THR 225 N 4.37 5.19 -0.24 0.00 2.01 -1.26 -0.71 115.64 124.99 3mx0 s THR 225 Ca 0.94 -0.25 0.02 0.00 0.31 0.00 0.00 61.69 62.71 3mx0 s THR 225 Cb -0.69 -3.66 0.06 0.00 0.01 0.00 0.00 72.50 68.22 3mx0 s THR 225 CO 0.51 -0.00 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.68 3mx0 s VAL 226 N 1.71 1.78 0.09 3.82 1.01 -0.93 -5.01 120.40 122.87 3mx0 s VAL 226 Ca 0.06 -1.38 -0.32 0.00 0.00 0.00 0.00 61.98 60.34 3mx0 s VAL 226 Cb -0.17 -1.98 -0.11 0.00 0.00 0.00 0.00 36.38 34.12 3mx0 s VAL 226 CO 0.10 -0.07 1.85 0.00 0.00 0.00 0.00 175.10 176.98 3mx0 n ALA 227 N 4.58 1.88 -1.95 5.51 0.00 -1.26 -2.57 120.51 126.70 3mx0 n ALA 227 Ca -0.13 0.30 -0.27 0.00 0.00 0.00 0.00 53.44 53.34 3mx0 n ALA 227 Cb 0.43 -2.58 0.14 0.00 0.00 0.00 0.00 19.45 17.44 3mx0 n ALA 227 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3mx0 s GLY 228 N 3.07 1.76 -0.07 0.00 0.00 -1.13 -4.79 107.32 106.15 3mx0 s GLY 228 Ca 0.84 -1.32 -0.09 0.00 0.00 0.00 0.00 44.72 44.15 3mx0 s GLY 228 CO 0.40 -0.67 0.24 -1.59 0.00 0.00 0.00 173.10 171.48 3mx0 s THR 229 N -3.56 0.02 -0.10 0.90 2.01 -0.79 -4.86 115.64 109.25 3mx0 s THR 229 Ca 0.69 -0.12 -0.24 0.00 0.31 0.00 0.00 61.69 62.33 3mx0 s THR 229 Cb -0.05 -0.38 -0.03 0.00 0.01 0.00 0.00 72.50 72.05 3mx0 s THR 229 CO 0.49 -0.07 0.72 0.00 -0.69 0.00 0.00 174.62 175.07 3mx0 n VAL 231 N 4.04 0.00 -1.64 0.00 0.24 0.77 -4.70 118.33 117.04 3mx0 n VAL 231 Ca -0.00 -0.01 -0.43 0.00 -2.04 0.00 0.00 64.34 61.86 3mx0 n VAL 231 Cb 0.51 -0.66 -0.03 0.00 -1.47 0.00 0.00 33.84 32.18 3mx0 n VAL 231 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3mx0 s ASP 232 N -2.39 5.81 0.00 -1.34 1.11 -1.26 -4.03 116.67 114.56 3mx0 s ASP 232 Ca 0.45 2.14 0.00 0.00 0.18 0.00 0.00 52.55 55.33 3mx0 s ASP 232 Cb -0.08 -2.52 0.00 0.00 1.07 0.00 0.00 42.92 41.39 3mx0 s ASP 232 CO 0.38 -1.64 0.00 1.41 1.18 0.00 0.00 175.17 176.50 3mx0 n HIS 233 N 10.23 0.00 0.00 4.23 8.25 -1.26 -4.76 115.22 131.91 3mx0 n HIS 233 Ca 0.26 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.72 3mx0 n HIS 233 Cb 0.44 -1.46 0.00 0.00 1.12 0.00 0.00 29.99 30.09 3mx0 n HIS 233 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3mx0 n ALA 234 N -0.11 0.00 -3.08 -1.41 0.00 -1.25 -3.83 120.51 110.83 3mx0 n ALA 234 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3mx0 n ALA 234 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3mx0 n ALA 234 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 3mx0 n VAL 235 N -0.63 0.00 -3.29 0.00 3.14 -0.75 -4.79 118.33 112.01 3mx0 n VAL 235 Ca 0.00 -0.06 -0.41 0.00 -2.96 0.00 0.00 64.34 60.91 3mx0 n VAL 235 Cb 0.00 0.07 -0.08 0.00 -1.06 0.00 0.00 33.84 32.77 3mx0 n VAL 235 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 3mx0 s VAL 236 N -2.64 5.07 0.07 1.55 0.11 -1.26 -2.33 120.40 120.97 3mx0 s VAL 236 Ca 0.02 0.41 -0.33 0.00 -2.93 0.00 0.00 61.98 59.15 3mx0 s VAL 236 Cb -0.00 -3.88 -0.19 0.00 -1.53 0.00 0.00 36.38 30.78 3mx0 s VAL 236 CO 0.01 -0.10 1.63 -0.65 -3.33 0.00 0.00 175.10 172.66 3mx0 h PRO 237 N 8.35 -0.87 -0.15 1.54 0.11 -1.97 -3.47 132.00 135.55 3mx0 h PRO 237 Ca -0.29 0.06 0.03 0.00 0.11 0.00 0.00 66.00 65.91 3mx0 h PRO 237 Cb 1.14 0.20 -0.06 0.00 0.11 0.00 0.00 31.00 32.38 3mx0 h PRO 237 CO 0.73 -0.58 -0.49 -1.35 -0.21 0.00 0.00 178.00 176.10 3mx0 h PRO 238 N -0.90 -0.49 -6.41 1.05 0.11 -2.01 -3.54 132.00 119.82 3mx0 h PRO 238 Ca -0.09 0.03 -0.67 0.00 0.11 0.00 0.00 66.00 65.38 3mx0 h PRO 238 Cb 0.70 0.11 -0.17 0.00 0.11 0.00 0.00 31.00 31.75 3mx0 h PRO 238 CO 0.14 -0.33 -0.72 -2.00 -0.21 0.00 0.00 178.00 174.88 3mx0 s GLU 241 N -5.42 2.37 0.67 1.05 2.56 -1.26 -5.31 118.70 113.36 3mx0 s GLU 241 Ca -0.14 -0.85 -0.17 0.00 0.00 0.00 0.00 54.97 53.81 3mx0 s GLU 241 Cb 0.07 -2.41 -0.11 0.00 2.00 0.00 0.00 34.13 33.68 3mx0 s GLU 241 CO 0.55 0.56 0.04 0.39 -0.56 0.00 0.00 175.26 176.24 3mx0 n GLU 242 N 1.19 0.15 -3.21 4.30 -0.58 -1.26 -3.57 120.64 117.67 3mx0 n GLU 242 Ca -0.14 0.07 -0.39 0.00 -0.42 0.00 0.00 57.16 56.28 3mx0 n GLU 242 Cb 0.52 -1.35 -0.06 0.00 -0.57 0.00 0.00 31.44 29.99 3mx0 n GLU 242 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 3mx0 s PRO 243 N -1.87 4.36 0.03 3.49 0.04 -1.26 -3.45 135.00 136.34 3mx0 s PRO 243 Ca 0.58 0.61 -0.11 0.00 0.04 0.00 0.00 61.00 62.11 3mx0 s PRO 243 Cb -0.39 -3.46 0.01 0.00 0.04 0.00 0.00 34.50 30.71 3mx0 s PRO 243 CO 0.65 0.08 0.24 1.03 0.04 0.00 0.00 177.00 179.05 3mx0 s ARG 244 N 0.82 0.71 0.09 4.56 0.52 0.19 -2.82 118.95 123.02 3mx0 s ARG 244 Ca 0.30 -0.51 0.03 0.00 -0.52 0.00 0.00 55.73 55.03 3mx0 s ARG 244 Cb -0.16 0.30 -0.04 0.00 0.52 0.00 0.00 34.95 35.57 3mx0 s ARG 244 CO 0.13 -0.21 -0.09 -1.64 0.02 0.00 0.00 175.30 173.51 3mx0 s MET 245 N -2.28 0.80 -0.20 3.54 -1.94 -1.06 -2.54 119.30 115.62 3mx0 s MET 245 Ca -0.07 -1.16 0.00 0.00 -1.71 0.00 0.00 55.69 52.75 3mx0 s MET 245 Cb -0.02 -0.41 0.02 0.00 2.01 0.00 0.00 34.83 36.42 3mx0 s MET 245 CO -0.02 0.05 -0.16 -1.01 -0.01 0.00 0.00 175.02 173.87 3mx0 s HIS 246 N -2.63 2.87 -0.26 -0.03 3.76 -1.26 -2.19 115.29 115.54 3mx0 s HIS 246 Ca 0.05 -1.58 -0.08 0.00 -0.15 0.00 0.00 55.06 53.30 3mx0 s HIS 246 Cb -0.02 -1.96 -0.03 0.00 1.11 0.00 0.00 32.58 31.69 3mx0 s HIS 246 CO -0.01 -0.77 0.10 0.00 -0.85 0.00 0.00 174.74 173.21 3mx0 s ALA 248 N 1.63 2.76 -0.17 0.00 0.00 0.44 -0.09 121.76 126.33 3mx0 s ALA 248 Ca 0.06 -1.42 0.24 0.00 0.00 0.00 0.00 51.96 50.84 3mx0 s ALA 248 Cb -0.16 -2.49 0.63 0.00 0.00 0.00 0.00 23.12 21.11 3mx0 s ALA 248 CO 0.05 -2.12 1.70 0.28 0.00 0.00 0.00 175.76 175.68 3mx0 h VAL 249 N -1.26 0.25 -0.36 0.00 2.07 -1.85 -2.92 116.25 112.17 3mx0 h VAL 249 Ca -0.41 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 65.99 3mx0 h VAL 249 Cb 1.24 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.93 3mx0 h VAL 249 CO 0.38 0.12 0.00 -0.90 0.02 0.00 0.00 177.57 177.19 3mx0 n ASP 250 N -3.17 2.66 -1.94 0.57 3.85 -1.26 -4.63 116.55 112.62 3mx0 n ASP 250 Ca 0.02 -2.19 -0.10 0.00 -0.71 0.00 0.00 54.79 51.81 3mx0 n ASP 250 Cb 0.50 -0.39 0.04 0.00 -1.35 0.00 0.00 41.12 39.91 3mx0 n ASP 250 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3mx0 n GLY 251 N 0.81 0.24 3.25 6.12 0.00 -1.10 -4.95 105.19 109.56 3mx0 n GLY 251 Ca 0.14 -0.25 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 3mx0 n GLY 251 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3mx0 s GLU 252 N -5.42 1.08 0.44 1.61 2.02 -1.26 -4.32 118.70 112.85 3mx0 s GLU 252 Ca 0.22 -1.08 -0.06 0.00 0.02 0.00 0.00 54.97 54.07 3mx0 s GLU 252 Cb -0.10 -1.27 -0.04 0.00 0.10 0.00 0.00 34.13 32.82 3mx0 s GLU 252 CO 0.33 0.30 0.74 -1.58 0.02 0.00 0.00 175.26 175.07 3mx0 s TRP 253 N -1.13 3.53 0.28 1.61 0.52 -1.25 0.17 118.94 122.66 3mx0 s TRP 253 Ca 0.05 0.80 0.00 0.00 0.02 0.00 0.00 56.10 56.97 3mx0 s TRP 253 Cb -0.10 -2.28 0.00 0.00 -1.15 0.00 0.00 33.47 29.95 3mx0 s TRP 253 CO 0.03 -0.17 0.00 1.28 0.02 0.00 0.00 176.95 178.11 3mx0 n LEU 254 N -1.92 -1.04 -4.12 2.99 4.77 1.00 -4.86 117.00 113.83 3mx0 n LEU 254 Ca 0.00 0.49 -0.37 0.00 -0.03 0.00 0.00 56.01 56.10 3mx0 n LEU 254 Cb 0.55 1.13 -0.08 0.00 -2.33 0.00 0.00 43.42 42.69 3mx0 n LEU 254 CO 0.51 -0.50 0.14 0.68 -1.33 0.00 0.00 177.39 176.89 3mx0 s VAL 255 N -1.79 4.03 -0.59 4.08 -7.23 -1.26 -4.87 120.40 112.77 3mx0 s VAL 255 Ca 0.00 -3.10 -0.33 0.00 -1.81 0.00 0.00 61.98 56.73 3mx0 s VAL 255 Cb 0.00 -3.58 -0.15 0.00 0.56 0.00 0.00 36.38 33.21 3mx0 s VAL 255 CO 0.00 -0.94 2.38 -2.65 -0.31 0.00 0.00 175.10 173.58 3mx0 n PRO 256 N 3.29 0.60 -3.82 4.82 -0.02 -1.26 -4.31 135.00 134.30 3mx0 n PRO 256 Ca 0.11 0.11 -0.36 0.00 -2.02 0.00 0.00 63.50 61.34 3mx0 n PRO 256 Cb 0.38 -2.24 -0.13 0.00 -0.02 0.00 0.00 33.50 31.49 3mx0 n PRO 256 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3mx0 s ILE 257 N 8.61 3.79 0.00 4.25 1.01 -1.05 -5.03 121.20 132.78 3mx0 s ILE 257 Ca 1.17 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 61.34 3mx0 s ILE 257 Cb -0.93 -2.81 0.00 0.00 0.01 0.00 0.00 42.46 38.73 3mx0 s ILE 257 CO 0.47 0.29 0.00 0.61 0.00 0.00 0.00 174.94 176.31 3mx0 n GLY 258 N 4.85 0.03 3.60 6.18 0.00 -1.22 0.54 105.19 119.16 3mx0 n GLY 258 Ca -0.16 -1.92 -0.06 0.00 0.00 0.00 0.00 46.02 43.87 3mx0 n GLY 258 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mx0 n GLN 259 N -0.06 0.86 -4.82 1.61 10.64 -1.23 -4.75 117.38 119.64 3mx0 n GLN 259 Ca 0.00 -1.78 -0.25 0.00 -1.83 0.00 0.00 57.00 53.15 3mx0 n GLN 259 Cb 0.00 2.29 -0.15 0.00 -0.86 0.00 0.00 30.24 31.51 3mx0 n GLN 259 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3mx0 s LEU 261 N -0.28 2.98 -0.34 0.00 1.43 -0.98 -4.61 118.68 116.88 3mx0 s LEU 261 Ca 0.04 -0.10 -0.29 0.00 -1.03 0.00 0.00 54.13 52.74 3mx0 s LEU 261 Cb -0.08 -1.63 -0.07 0.00 0.03 0.00 0.00 46.19 44.43 3mx0 s LEU 261 CO 0.00 0.35 2.28 0.00 0.23 0.00 0.00 176.35 179.21 3mx0 n GLN 263 N 8.71 -2.20 -1.54 0.00 10.64 -1.25 -4.40 117.38 127.34 3mx0 n GLN 263 Ca 0.35 -0.29 -0.15 0.00 -1.83 0.00 0.00 57.00 55.08 3mx0 n GLN 263 Cb 0.41 -0.34 -0.11 0.00 -0.86 0.00 0.00 30.24 29.34 3mx0 n GLN 263 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3mx0 n ALA 264 N -3.48 0.50 0.00 2.61 0.00 -1.25 -0.98 120.51 117.91 3mx0 n ALA 264 Ca -0.04 -1.32 0.00 0.00 0.00 0.00 0.00 53.44 52.08 3mx0 n ALA 264 Cb 0.11 -3.04 0.00 0.00 0.00 0.00 0.00 19.45 16.52 3mx0 n ALA 264 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mx0 n GLY 265 N 6.44 1.02 3.23 0.00 0.00 -0.79 -4.76 105.19 110.34 3mx0 n GLY 265 Ca 0.50 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 46.28 3mx0 n GLY 265 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3mx0 s TYR 266 N -2.00 1.71 -0.11 1.61 2.02 -0.15 -3.33 117.35 117.10 3mx0 s TYR 266 Ca 0.00 -0.37 0.03 0.00 -0.37 0.00 0.00 57.07 56.36 3mx0 s TYR 266 Cb 0.00 -1.01 -0.00 0.00 -0.40 0.00 0.00 41.96 40.54 3mx0 s TYR 266 CO 0.00 0.09 -0.23 -1.83 -1.57 0.00 0.00 175.55 172.01 3mx0 s GLU 267 N -1.21 3.08 -0.05 -0.62 -1.05 -0.42 -4.36 118.70 114.07 3mx0 s GLU 267 Ca 0.06 -0.86 -0.38 0.00 -0.15 0.00 0.00 54.97 53.65 3mx0 s GLU 267 Cb -0.09 -2.35 -0.16 0.00 -0.44 0.00 0.00 34.13 31.09 3mx0 s GLU 267 CO 0.02 0.16 1.51 1.17 0.95 0.00 0.00 175.26 179.07 3mx0 n LYS 268 N 3.59 1.22 -3.92 -4.83 4.81 -1.26 -1.24 118.16 116.52 3mx0 n LYS 268 Ca -0.19 0.44 -0.19 0.00 -0.87 0.00 0.00 58.31 57.50 3mx0 n LYS 268 Cb 0.53 -2.11 -0.17 0.00 0.02 0.00 0.00 35.03 33.30 3mx0 n LYS 268 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3mx0 s VAL 269 N 1.69 0.27 0.00 3.15 1.01 -1.26 -4.79 120.40 120.48 3mx0 s VAL 269 Ca 0.89 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.95 3mx0 s VAL 269 Cb -0.98 -0.38 0.00 0.00 0.00 0.00 0.00 36.38 35.02 3mx0 s VAL 269 CO 0.53 0.19 0.00 -0.62 0.00 0.00 0.00 175.10 175.20 3mx0 n GLU 270 N 4.43 0.00 -0.87 2.72 -0.58 -1.26 0.11 120.64 125.19 3mx0 n GLU 270 Ca -0.20 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.48 3mx0 n GLU 270 Cb 0.50 0.00 0.24 0.00 -0.57 0.00 0.00 31.44 31.61 3mx0 n GLU 270 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3mx0 n ASP 271 N 3.51 3.63 0.00 1.62 8.00 -1.26 -4.90 116.55 127.16 3mx0 n ASP 271 Ca 0.00 -3.45 0.00 0.00 0.71 0.00 0.00 54.79 52.05 3mx0 n ASP 271 Cb 0.00 -0.69 0.00 0.00 -0.02 0.00 0.00 41.12 40.41 3mx0 n ASP 271 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mx0 n ALA 272 N -0.75 0.00 0.00 2.24 0.00 0.31 -4.83 120.51 117.48 3mx0 n ALA 272 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3mx0 n ALA 272 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.67 3mx0 n ALA 272 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mx0 s GLN 274 N 0.00 4.16 1.00 0.00 -0.21 -0.37 -4.65 119.66 119.58 3mx0 s GLN 274 Ca 0.00 1.36 -0.12 0.00 0.02 0.00 0.00 55.36 56.62 3mx0 s GLN 274 Cb 0.00 -2.39 0.19 0.00 1.00 0.00 0.00 33.01 31.81 3mx0 s GLN 274 CO 0.00 -0.12 1.08 0.00 -2.12 0.00 0.00 175.29 174.13 3mx0 s ALA 275 N -1.85 0.78 -0.14 6.09 0.00 -1.26 -1.30 121.76 124.08 3mx0 s ALA 275 Ca 0.60 0.02 -0.29 0.00 0.00 0.00 0.00 51.96 52.28 3mx0 s ALA 275 Cb -0.17 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.69 3mx0 s ALA 275 CO 0.22 -2.99 1.05 0.00 0.00 0.00 0.00 175.76 174.03 3mx0 n SER 277 N 5.48 -1.09 -4.55 0.00 7.64 -1.26 0.13 113.62 119.96 3mx0 n SER 277 Ca 0.10 -0.05 -0.36 0.00 1.01 0.00 0.00 58.87 59.57 3mx0 n SER 277 Cb 0.48 -0.22 -0.04 0.00 -1.01 0.00 0.00 64.21 63.42 3mx0 n SER 277 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 3mx0 s PRO 278 N -1.23 2.90 0.00 1.43 0.02 -1.26 -3.47 135.00 133.39 3mx0 s PRO 278 Ca 0.04 -0.15 0.00 0.00 0.02 0.00 0.00 61.00 60.91 3mx0 s PRO 278 Cb -0.01 -4.72 0.00 0.00 0.02 0.00 0.00 34.50 29.79 3mx0 s PRO 278 CO 0.03 -2.70 0.00 0.41 -0.33 0.00 0.00 177.00 174.41 3mx0 n GLY 279 N 6.19 1.56 0.39 0.52 0.00 -0.96 -4.86 105.19 108.03 3mx0 n GLY 279 Ca 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.23 3mx0 n GLY 279 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3mx0 n PHE 280 N -1.08 0.10 -3.69 1.61 3.01 -1.23 -1.67 117.46 114.51 3mx0 n PHE 280 Ca 0.00 -0.28 -0.03 0.00 1.01 0.00 0.00 57.45 58.15 3mx0 n PHE 280 Cb 0.00 -0.03 -0.01 0.00 -0.01 0.00 0.00 39.48 39.43 3mx0 n PHE 280 CO 0.00 0.00 0.00 -0.59 1.01 0.00 0.00 176.76 177.18 3mx0 s PHE 281 N -1.31 -0.14 -0.22 1.38 -0.12 -1.03 -4.03 117.98 112.52 3mx0 s PHE 281 Ca 0.01 -0.09 -0.03 0.00 -0.05 0.00 0.00 56.93 56.76 3mx0 s PHE 281 Cb 0.00 0.60 0.11 0.00 -0.63 0.00 0.00 43.02 43.10 3mx0 s PHE 281 CO 0.00 -0.65 0.29 0.21 -0.05 0.00 0.00 175.22 175.03 3mx0 s LYS 282 N -3.05 0.26 -0.04 1.99 2.20 -1.20 -1.71 119.74 118.20 3mx0 s LYS 282 Ca 0.12 0.36 -0.23 0.00 -0.36 0.00 0.00 55.97 55.85 3mx0 s LYS 282 Cb 0.00 -0.87 -0.18 0.00 -1.51 0.00 0.00 37.83 35.27 3mx0 s LYS 282 CO -0.01 -0.65 1.04 0.35 -0.36 0.00 0.00 175.35 175.73 3mx0 h PHE 283 N 8.25 -0.17 -1.21 4.03 3.57 -1.88 -2.09 116.94 127.44 3mx0 h PHE 283 Ca -0.18 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.31 3mx0 h PHE 283 Cb 1.15 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.95 3mx0 h PHE 283 CO 0.13 0.28 0.00 0.39 -2.23 0.00 0.00 178.31 176.89 3mx0 n GLU 284 N -4.93 3.94 -3.33 1.11 4.71 -1.26 -4.59 120.64 116.29 3mx0 n GLU 284 Ca -0.08 0.00 -0.45 0.00 -0.01 0.00 0.00 57.16 56.61 3mx0 n GLU 284 Cb 0.27 0.00 -0.00 0.00 -1.01 0.00 0.00 31.44 30.69 3mx0 n GLU 284 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3mx0 s ALA 285 N -2.47 4.63 0.11 0.62 0.00 -1.26 -3.83 121.76 119.56 3mx0 s ALA 285 Ca 0.00 -3.76 0.07 0.00 0.00 0.00 0.00 51.96 48.27 3mx0 s ALA 285 Cb 0.00 -3.57 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 3mx0 s ALA 285 CO 0.00 -2.22 -0.17 -1.54 0.00 0.00 0.00 175.76 171.83 3mx0 s SER 286 N 1.46 2.21 0.00 0.00 1.04 -1.26 -4.99 113.70 112.16 3mx0 s SER 286 Ca 0.29 -0.73 0.10 0.00 0.48 0.00 0.00 55.95 56.09 3mx0 s SER 286 Cb -0.10 -0.10 0.43 0.00 0.10 0.00 0.00 66.02 66.35 3mx0 s SER 286 CO -0.08 -0.04 1.31 -0.62 0.98 0.00 0.00 173.24 174.79 3mx0 n GLU 287 N 0.88 0.01 -3.11 4.02 1.02 -1.26 -4.50 120.64 117.69 3mx0 n GLU 287 Ca -0.18 0.32 -0.33 0.00 -0.02 0.00 0.00 57.16 56.95 3mx0 n GLU 287 Cb 0.55 -1.50 -0.06 0.00 -0.02 0.00 0.00 31.44 30.41 3mx0 n GLU 287 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3mx0 s SER 288 N -2.98 6.83 0.00 1.62 0.15 -1.26 -4.99 113.70 113.07 3mx0 s SER 288 Ca 0.05 1.33 0.00 0.00 0.70 0.00 0.00 55.95 58.03 3mx0 s SER 288 Cb 0.06 -2.39 0.00 0.00 -1.71 0.00 0.00 66.02 61.98 3mx0 s SER 288 CO 0.18 -0.18 0.00 -2.65 1.20 0.00 0.00 173.24 171.79 3mx0 n PRO 289 N -0.21 2.27 -3.43 5.44 -0.02 -1.26 -4.88 135.00 132.90 3mx0 n PRO 289 Ca 0.03 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.08 3mx0 n PRO 289 Cb 0.53 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.91 3mx0 n PRO 289 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mx0 s LEU 291 N 1.82 4.35 0.34 0.00 2.01 -0.70 -4.72 118.68 121.78 3mx0 s LEU 291 Ca 0.07 2.17 -0.29 0.00 0.01 0.00 0.00 54.13 56.10 3mx0 s LEU 291 Cb -0.18 -3.58 -0.10 0.00 0.01 0.00 0.00 46.19 42.34 3mx0 s LEU 291 CO 0.11 -0.63 1.33 -1.83 1.01 0.00 0.00 176.35 176.34 3mx0 s GLU 292 N 1.55 4.32 0.11 1.70 -1.05 -1.26 -2.45 118.70 121.61 3mx0 s GLU 292 Ca 0.63 2.27 -0.29 0.00 -0.15 0.00 0.00 54.97 57.43 3mx0 s GLU 292 Cb -0.33 -3.06 -0.16 0.00 -0.44 0.00 0.00 34.13 30.14 3mx0 s GLU 292 CO 0.29 -0.24 0.65 0.00 0.95 0.00 0.00 175.26 176.91 3mx0 n PRO 294 N 1.05 3.11 -4.28 0.00 -0.04 -1.26 -5.04 135.00 128.54 3mx0 n PRO 294 Ca 0.16 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.34 3mx0 n PRO 294 Cb 0.16 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.52 3mx0 n PRO 294 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3mx0 s GLU 295 N 0.00 1.96 -0.76 0.54 2.02 -1.26 -4.74 118.70 116.46 3mx0 s GLU 295 Ca 0.00 -1.17 -0.00 0.00 0.02 0.00 0.00 54.97 53.81 3mx0 s GLU 295 Cb 0.00 -2.17 -0.00 0.00 0.10 0.00 0.00 34.13 32.05 3mx0 s GLU 295 CO 0.00 0.47 0.71 0.72 0.02 0.00 0.00 175.26 177.18 3mx0 n HIS 296 N 0.52 -2.91 -3.64 1.61 8.25 -1.26 -2.12 115.22 115.67 3mx0 n HIS 296 Ca -0.13 1.11 -0.05 0.00 -0.26 0.00 0.00 57.72 58.39 3mx0 n HIS 296 Cb 0.53 -4.04 -0.07 0.00 1.12 0.00 0.00 29.99 27.54 3mx0 n HIS 296 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3mx0 s THR 297 N -3.02 0.00 -0.19 1.59 -1.32 -1.26 -3.61 115.64 107.83 3mx0 s THR 297 Ca 0.02 0.00 -0.23 0.00 -1.21 0.00 0.00 61.69 60.27 3mx0 s THR 297 Cb -0.00 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.97 3mx0 s THR 297 CO 0.76 0.00 0.74 -1.48 -2.21 0.00 0.00 174.62 172.43 3mx0 s LEU 298 N 1.06 4.15 -0.37 9.08 2.34 -0.67 -4.89 118.68 129.38 3mx0 s LEU 298 Ca -0.06 1.00 -0.03 0.00 0.06 0.00 0.00 54.13 55.10 3mx0 s LEU 298 Cb -0.04 -3.07 -0.13 0.00 -0.56 0.00 0.00 46.19 42.39 3mx0 s LEU 298 CO -0.13 -0.35 1.15 -2.65 -1.06 0.00 0.00 176.35 173.31 3mx0 n PRO 299 N 5.21 0.00 -0.82 1.48 -0.02 -1.26 -4.53 135.00 135.07 3mx0 n PRO 299 Ca 0.02 0.00 -0.33 0.00 -2.02 0.00 0.00 63.50 61.17 3mx0 n PRO 299 Cb 0.49 -0.72 0.11 0.00 -0.02 0.00 0.00 33.50 33.37 3mx0 n PRO 299 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3mx0 n SER 300 N 3.60 -2.63 0.00 2.55 3.41 -1.26 -4.70 113.62 114.58 3mx0 n SER 300 Ca 0.25 0.28 0.00 0.00 -0.26 0.00 0.00 58.87 59.14 3mx0 n SER 300 Cb 0.22 -1.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.05 3mx0 n SER 300 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 3mx0 n PRO 301 N -1.14 2.00 -3.43 4.33 -0.04 -1.26 -2.26 135.00 133.20 3mx0 n PRO 301 Ca 0.05 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.13 3mx0 n PRO 301 Cb 0.55 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.92 3mx0 n PRO 301 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 3mx0 s GLU 302 N 0.00 4.12 -0.40 0.54 1.03 -1.26 -3.34 118.70 119.38 3mx0 s GLU 302 Ca 0.00 0.09 -0.17 0.00 0.03 0.00 0.00 54.97 54.92 3mx0 s GLU 302 Cb 0.00 -3.57 0.02 0.00 -0.80 0.00 0.00 34.13 29.79 3mx0 s GLU 302 CO 0.00 -0.08 0.50 0.41 -1.33 0.00 0.00 175.26 174.76 3mx0 n GLY 303 N 4.17 -1.44 3.54 -3.83 0.00 0.35 -4.86 105.19 103.11 3mx0 n GLY 303 Ca -0.09 1.09 -0.34 0.00 0.00 0.00 0.00 46.02 46.68 3mx0 n GLY 303 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mx0 s ALA 304 N -2.22 3.07 0.00 4.61 0.00 -1.26 -4.84 121.76 121.12 3mx0 s ALA 304 Ca 0.23 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.37 3mx0 s ALA 304 Cb -0.05 -1.56 0.00 0.00 0.00 0.00 0.00 23.12 21.51 3mx0 s ALA 304 CO 0.76 0.28 0.68 -2.37 0.00 0.00 0.00 175.76 175.11 3mx0 n THR 305 N 3.29 0.00 -4.19 0.00 5.66 -1.26 -3.23 114.28 114.54 3mx0 n THR 305 Ca -0.17 1.18 -0.32 0.00 -3.05 0.00 0.00 64.05 61.69 3mx0 n THR 305 Cb 0.53 -2.17 -0.08 0.00 -1.55 0.00 0.00 70.33 67.06 3mx0 n THR 305 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3mx0 s SER 306 N -2.03 5.22 0.25 1.09 1.04 -1.26 -3.28 113.70 114.71 3mx0 s SER 306 Ca 0.00 -0.03 -0.30 0.00 0.48 0.00 0.00 55.95 56.10 3mx0 s SER 306 Cb 0.00 -1.36 -0.09 0.00 0.10 0.00 0.00 66.02 64.67 3mx0 s SER 306 CO 0.00 0.24 1.09 0.00 0.98 0.00 0.00 173.24 175.55 3mx0 s GLU 308 N -1.09 4.51 0.38 0.00 2.02 -1.26 -4.98 118.70 118.28 3mx0 s GLU 308 Ca 0.46 1.77 -0.15 0.00 0.02 0.00 0.00 54.97 57.07 3mx0 s GLU 308 Cb -0.31 -3.30 -0.09 0.00 0.10 0.00 0.00 34.13 30.54 3mx0 s GLU 308 CO 0.39 -0.09 0.81 0.00 0.02 0.00 0.00 175.26 176.38 3mx0 s GLU 310 N -3.33 3.78 0.04 0.00 2.12 -1.24 -4.68 118.70 115.38 3mx0 s GLU 310 Ca 0.55 0.21 -0.30 0.00 0.36 0.00 0.00 54.97 55.79 3mx0 s GLU 310 Cb -0.10 -2.74 -0.09 0.00 0.26 0.00 0.00 34.13 31.46 3mx0 s GLU 310 CO 0.21 0.38 1.88 -1.21 -0.54 0.00 0.00 175.26 175.98 3mx0 s GLU 311 N -2.64 4.15 0.00 4.30 2.02 -1.26 -2.00 118.70 123.28 3mx0 s GLU 311 Ca 0.44 2.53 0.00 0.00 0.02 0.00 0.00 54.97 57.96 3mx0 s GLU 311 Cb -0.12 -4.01 0.00 0.00 0.10 0.00 0.00 34.13 30.10 3mx0 s GLU 311 CO 0.21 -0.91 0.00 0.41 0.02 0.00 0.00 175.26 175.00 3mx0 n GLY 312 N 4.40 1.18 3.34 -1.39 0.00 -1.26 -5.10 105.19 106.35 3mx0 n GLY 312 Ca 0.19 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 3mx0 n GLY 312 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3mx0 s PHE 313 N -2.00 -0.20 0.00 1.61 0.08 -0.85 -4.79 117.98 111.84 3mx0 s PHE 313 Ca 0.00 -0.12 0.00 0.00 0.12 0.00 0.00 56.93 56.93 3mx0 s PHE 313 Cb 0.00 0.28 0.00 0.00 -0.57 0.00 0.00 43.02 42.73 3mx0 s PHE 313 CO 0.00 -0.72 0.00 1.19 -0.10 0.00 0.00 175.22 175.59 3mx0 n PHE 314 N -0.24 -0.26 -3.54 0.36 3.72 0.29 -4.64 117.46 113.16 3mx0 n PHE 314 Ca -0.15 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.07 3mx0 n PHE 314 Cb 0.64 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.11 3mx0 n PHE 314 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3mx0 s ARG 315 N -1.95 1.03 0.37 -1.08 0.52 -1.26 -2.05 118.95 114.53 3mx0 s ARG 315 Ca 0.00 0.26 0.04 0.00 -0.52 0.00 0.00 55.73 55.51 3mx0 s ARG 315 Cb 0.00 0.48 -0.01 0.00 0.52 0.00 0.00 34.95 35.94 3mx0 s ARG 315 CO 0.00 -0.31 0.54 0.00 0.02 0.00 0.00 175.30 175.55 3mx0 s ALA 316 N -1.14 3.99 0.67 2.13 0.00 -1.26 -4.98 121.76 121.16 3mx0 s ALA 316 Ca -0.11 -1.25 0.38 0.00 0.00 0.00 0.00 51.96 50.99 3mx0 s ALA 316 Cb -0.01 -1.89 2.09 0.00 0.00 0.00 0.00 23.12 23.31 3mx0 s ALA 316 CO 0.09 -0.14 2.18 -1.00 0.00 0.00 0.00 175.76 176.89 3mx0 h PRO 317 N 0.72 0.00 0.00 0.00 0.13 -2.02 -0.78 132.00 130.04 3mx0 h PRO 317 Ca -0.47 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3mx0 h PRO 317 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 3mx0 h PRO 317 CO 0.56 0.00 -0.25 0.00 -0.23 0.00 0.00 178.00 178.08 3mx0 n GLN 318 N -3.01 1.37 -3.54 0.86 0.00 -1.26 -5.03 117.38 106.77 3mx0 n GLN 318 Ca -0.03 -2.86 -0.35 0.00 0.00 0.00 0.00 57.00 53.76 3mx0 n GLN 318 Cb 0.21 -1.51 -0.06 0.00 0.00 0.00 0.00 30.24 28.88 3mx0 n GLN 318 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3mx0 s ASP 319 N -2.99 6.68 0.37 2.61 1.11 -0.30 -5.10 116.67 119.06 3mx0 s ASP 319 Ca 0.34 0.85 -0.24 0.00 0.18 0.00 0.00 52.55 53.68 3mx0 s ASP 319 Cb 0.32 -2.20 -0.10 0.00 1.07 0.00 0.00 42.92 42.01 3mx0 s ASP 319 CO -0.02 0.18 0.97 -2.84 1.18 0.00 0.00 175.17 174.64 3mx0 s PRO 320 N -1.81 4.38 -0.01 8.23 0.02 -1.26 -4.90 135.00 139.64 3mx0 s PRO 320 Ca 0.32 1.30 0.02 0.00 0.02 0.00 0.00 61.00 62.67 3mx0 s PRO 320 Cb -0.14 -2.54 0.08 0.00 0.02 0.00 0.00 34.50 31.92 3mx0 s PRO 320 CO 0.18 0.09 0.90 0.00 -0.33 0.00 0.00 177.00 177.83 3mx0 n ALA 321 N 0.04 2.55 -0.09 -1.55 0.00 -1.26 -2.90 120.51 117.30 3mx0 n ALA 321 Ca 0.04 -0.18 -0.21 0.00 0.00 0.00 0.00 53.44 53.09 3mx0 n ALA 321 Cb 0.51 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.84 3mx0 n ALA 321 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3mx0 n SER 322 N -0.12 2.01 -4.55 0.00 3.41 -1.26 -4.49 113.62 108.61 3mx0 n SER 322 Ca 0.03 0.09 -0.31 0.00 -0.26 0.00 0.00 58.87 58.42 3mx0 n SER 322 Cb 0.18 -0.66 -0.04 0.00 -0.26 0.00 0.00 64.21 63.43 3mx0 n SER 322 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 3mx0 n MET 323 N -3.61 0.94 -0.27 4.33 0.00 -1.14 -4.79 117.12 112.57 3mx0 n MET 323 Ca -0.42 -0.18 -0.04 0.00 0.00 0.00 0.00 57.70 57.05 3mx0 n MET 323 Cb 0.96 -3.50 0.04 0.00 0.00 0.00 0.00 33.22 30.72 3mx0 n MET 323 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 3mx0 n PRO 324 N 8.97 0.42 -2.67 2.12 -0.02 -1.26 -4.83 135.00 137.73 3mx0 n PRO 324 Ca 0.39 -0.20 -0.42 0.00 -2.02 0.00 0.00 63.50 61.25 3mx0 n PRO 324 Cb 0.52 -0.58 -0.03 0.00 -0.02 0.00 0.00 33.50 33.40 3mx0 n PRO 324 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mx0 n THR 326 N 4.08 0.00 -3.68 0.00 -2.24 -0.87 -4.70 114.28 106.86 3mx0 n THR 326 Ca 0.07 -2.01 -0.12 0.00 -2.27 0.00 0.00 64.05 59.71 3mx0 n THR 326 Cb 0.50 0.43 -0.06 0.00 -2.10 0.00 0.00 70.33 69.09 3mx0 n THR 326 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mx0 s ARG 327 N -3.52 0.91 0.93 -0.78 1.70 -1.24 0.11 118.95 117.05 3mx0 s ARG 327 Ca 0.01 -0.41 -0.11 0.00 -0.47 0.00 0.00 55.73 54.75 3mx0 s ARG 327 Cb 0.00 0.40 0.11 0.00 -0.57 0.00 0.00 34.95 34.89 3mx0 s ARG 327 CO 0.01 -0.31 0.86 -2.30 -1.08 0.00 0.00 175.30 172.48 3mx0 n PRO 328 N 0.48 -0.40 -3.21 3.89 -0.02 -1.26 -4.03 135.00 130.45 3mx0 n PRO 328 Ca -0.18 -0.06 -0.39 0.00 -2.02 0.00 0.00 63.50 60.85 3mx0 n PRO 328 Cb 0.60 -2.18 -0.06 0.00 -0.02 0.00 0.00 33.50 31.84 3mx0 n PRO 328 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3mx0 s PRO 329 N -4.25 4.30 0.83 0.52 0.04 -1.26 -4.54 135.00 130.64 3mx0 s PRO 329 Ca 0.63 0.75 -0.13 0.00 0.04 0.00 0.00 61.00 62.29 3mx0 s PRO 329 Cb -0.22 -3.32 0.06 0.00 0.04 0.00 0.00 34.50 31.06 3mx0 s PRO 329 CO 0.62 0.43 0.92 -1.13 0.04 0.00 0.00 177.00 177.88 3mx0 n SER 330 N 2.47 -0.05 -4.75 6.66 3.41 -1.06 -4.73 113.62 115.57 3mx0 n SER 330 Ca -0.08 0.52 -0.34 0.00 -0.26 0.00 0.00 58.87 58.72 3mx0 n SER 330 Cb 0.51 -1.39 0.07 0.00 -0.26 0.00 0.00 64.21 63.14 3mx0 n SER 330 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mx0 s ALA 331 N -2.18 2.29 0.16 7.33 0.00 -1.26 -4.55 121.76 123.54 3mx0 s ALA 331 Ca 0.68 0.70 -0.32 0.00 0.00 0.00 0.00 51.96 53.03 3mx0 s ALA 331 Cb -0.28 -3.39 -0.17 0.00 0.00 0.00 0.00 23.12 19.27 3mx0 s ALA 331 CO 0.56 -1.58 0.79 -2.30 0.00 0.00 0.00 175.76 173.23 3mx0 n PRO 332 N -2.58 0.30 -0.11 0.00 -0.02 -1.26 -4.41 135.00 126.91 3mx0 n PRO 332 Ca 0.12 0.10 -0.09 0.00 -2.02 0.00 0.00 63.50 61.61 3mx0 n PRO 332 Cb 0.51 -1.33 -0.02 0.00 -0.02 0.00 0.00 33.50 32.64 3mx0 n PRO 332 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3mx0 h HIS 333 N 1.92 0.53 -3.31 6.00 2.76 -1.67 -3.44 115.15 117.95 3mx0 h HIS 333 Ca -0.37 -0.04 -0.63 0.00 -2.20 0.00 0.00 60.37 57.13 3mx0 h HIS 333 Cb 1.41 -0.16 -0.34 0.00 1.55 0.00 0.00 27.41 29.88 3mx0 h HIS 333 CO 0.48 0.49 -0.86 0.71 -1.30 0.00 0.00 177.93 177.45 3mx0 s TYR 334 N -5.56 2.25 -0.04 5.26 4.12 -1.26 -4.99 117.35 117.13 3mx0 s TYR 334 Ca -0.13 -1.00 0.05 0.00 0.02 0.00 0.00 57.07 56.01 3mx0 s TYR 334 Cb 0.09 -1.55 -0.02 0.00 -1.52 0.00 0.00 41.96 38.96 3mx0 s TYR 334 CO 0.74 -0.45 -0.19 -1.17 0.02 0.00 0.00 175.55 174.50 3mx0 s LEU 335 N 0.65 2.44 0.23 -1.29 2.96 -1.26 -1.80 118.68 120.62 3mx0 s LEU 335 Ca -0.13 -0.32 -0.09 0.00 -0.22 0.00 0.00 54.13 53.37 3mx0 s LEU 335 Cb -0.16 -1.47 -0.01 0.00 0.50 0.00 0.00 46.19 45.05 3mx0 s LEU 335 CO 0.03 0.33 0.37 0.42 -1.32 0.00 0.00 176.35 176.18 3mx0 s THR 336 N -0.63 0.00 -0.45 3.68 -4.23 -0.97 -5.03 115.64 108.01 3mx0 s THR 336 Ca 0.10 -1.58 0.05 0.00 -1.18 0.00 0.00 61.69 59.08 3mx0 s THR 336 Cb -0.11 -2.28 0.18 0.00 1.34 0.00 0.00 72.50 71.63 3mx0 s THR 336 CO 0.00 -0.01 0.52 0.00 -0.54 0.00 0.00 174.62 174.59 3mx0 s ALA 337 N -4.06 -0.56 -0.39 3.99 0.00 -1.26 -3.05 121.76 116.43 3mx0 s ALA 337 Ca 0.27 -1.21 -0.27 0.00 0.00 0.00 0.00 51.96 50.75 3mx0 s ALA 337 Cb 0.02 -2.19 -0.07 0.00 0.00 0.00 0.00 23.12 20.88 3mx0 s ALA 337 CO 0.10 -2.13 2.34 0.28 0.00 0.00 0.00 175.76 176.35 3mx0 n VAL 338 N 3.24 0.09 -0.52 0.00 0.31 0.22 -4.77 118.33 116.90 3mx0 n VAL 338 Ca 0.21 -0.64 -0.10 0.00 -0.01 0.00 0.00 64.34 63.80 3mx0 n VAL 338 Cb 0.51 -2.65 -0.06 0.00 -0.91 0.00 0.00 33.84 30.73 3mx0 n VAL 338 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3mx0 n GLY 339 N 5.94 2.23 3.56 2.92 0.00 -1.26 -0.17 105.19 118.41 3mx0 n GLY 339 Ca 0.35 -0.62 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 3mx0 n GLY 339 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3mx0 s MET 340 N 2.54 2.40 3.12 1.61 -1.94 -1.21 -4.57 119.30 121.25 3mx0 s MET 340 Ca 0.32 0.28 0.00 0.00 -1.71 0.00 0.00 55.69 54.58 3mx0 s MET 340 Cb 0.13 -4.76 0.00 0.00 2.01 0.00 0.00 34.83 32.22 3mx0 s MET 340 CO -0.01 -3.30 0.00 0.41 -0.01 0.00 0.00 175.02 172.11 3mx0 n GLY 341 N 6.38 1.43 0.00 -0.03 0.00 -1.26 -3.45 105.19 108.27 3mx0 n GLY 341 Ca 0.34 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.85 3mx0 n GLY 341 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mx0 n ALA 342 N 4.23 2.00 -2.59 4.61 0.00 -1.26 -4.70 120.51 122.80 3mx0 n ALA 342 Ca 0.00 -0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 3mx0 n ALA 342 Cb 0.00 0.11 -0.10 0.00 0.00 0.00 0.00 19.45 19.46 3mx0 n ALA 342 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3mx0 s LYS 343 N -2.00 3.88 -0.33 0.00 1.02 -1.22 -4.84 119.74 116.26 3mx0 s LYS 343 Ca -0.00 -0.18 -0.29 0.00 0.02 0.00 0.00 55.97 55.52 3mx0 s LYS 343 Cb 0.00 -3.69 -0.00 0.00 -0.52 0.00 0.00 37.83 33.61 3mx0 s LYS 343 CO 0.00 -0.31 1.44 0.14 -0.92 0.00 0.00 175.35 175.71 3mx0 s VAL 344 N 1.96 3.92 -0.14 3.17 -7.23 -1.09 -3.30 120.40 117.68 3mx0 s VAL 344 Ca 0.12 0.99 -0.29 0.00 -1.81 0.00 0.00 61.98 60.99 3mx0 s VAL 344 Cb -0.16 -4.05 -0.02 0.00 0.56 0.00 0.00 36.38 32.72 3mx0 s VAL 344 CO 0.11 -0.54 1.21 -0.70 -0.31 0.00 0.00 175.10 174.87 3mx0 s GLU 345 N 4.66 4.28 -0.14 4.82 2.56 0.76 -1.52 118.70 134.12 3mx0 s GLU 345 Ca 0.63 1.62 -0.15 0.00 0.00 0.00 0.00 54.97 57.07 3mx0 s GLU 345 Cb -0.18 -3.68 -0.05 0.00 2.00 0.00 0.00 34.13 32.23 3mx0 s GLU 345 CO 0.29 -0.61 0.36 -0.51 -0.56 0.00 0.00 175.26 174.22 3mx0 s LEU 346 N 3.03 4.26 -0.09 2.70 1.43 -0.91 -0.61 118.68 128.49 3mx0 s LEU 346 Ca 0.54 0.62 -0.03 0.00 -1.03 0.00 0.00 54.13 54.22 3mx0 s LEU 346 Cb -0.22 -2.48 0.04 0.00 0.03 0.00 0.00 46.19 43.56 3mx0 s LEU 346 CO 0.16 0.07 0.08 -0.13 0.23 0.00 0.00 176.35 176.76 3mx0 s ARG 347 N 0.47 -0.02 -0.05 1.70 0.52 -1.17 -2.82 118.95 117.59 3mx0 s ARG 347 Ca 0.20 0.21 -0.03 0.00 -0.52 0.00 0.00 55.73 55.59 3mx0 s ARG 347 Cb -0.14 -1.01 0.02 0.00 0.52 0.00 0.00 34.95 34.34 3mx0 s ARG 347 CO 0.06 -0.46 0.11 1.67 0.02 0.00 0.00 175.30 176.70 3mx0 s TRP 348 N 2.17 -0.12 0.46 -0.53 -2.14 -0.38 -2.30 118.94 116.10 3mx0 s TRP 348 Ca 0.04 0.33 -0.22 0.00 2.66 0.00 0.00 56.10 58.91 3mx0 s TRP 348 Cb -0.14 -0.02 -0.08 0.00 -3.10 0.00 0.00 33.47 30.14 3mx0 s TRP 348 CO -0.06 -0.09 1.11 0.99 -2.66 0.00 0.00 176.95 176.24 3mx0 s THR 349 N 0.47 3.40 0.26 0.66 2.01 -0.74 -4.69 115.64 117.00 3mx0 s THR 349 Ca -0.03 1.00 -0.29 0.00 0.31 0.00 0.00 61.69 62.68 3mx0 s THR 349 Cb -0.05 -3.48 -0.09 0.00 0.01 0.00 0.00 72.50 68.89 3mx0 s THR 349 CO -0.02 -0.07 0.95 -2.84 -0.69 0.00 0.00 174.62 171.96 3mx0 s PRO 350 N -2.82 4.77 0.57 4.92 0.02 -1.26 -2.60 135.00 138.60 3mx0 s PRO 350 Ca 0.64 1.47 -0.17 0.00 0.02 0.00 0.00 61.00 62.95 3mx0 s PRO 350 Cb -0.24 -3.15 -0.15 0.00 0.02 0.00 0.00 34.50 30.99 3mx0 s PRO 350 CO 0.29 0.44 -0.23 -2.30 -0.33 0.00 0.00 177.00 174.86 3mx0 n PRO 351 N 1.22 0.00 0.10 5.54 -0.02 -1.26 -4.24 135.00 136.33 3mx0 n PRO 351 Ca -0.01 0.00 0.12 0.00 -2.02 0.00 0.00 63.50 61.59 3mx0 n PRO 351 Cb 0.48 -0.97 0.12 0.00 -0.02 0.00 0.00 33.50 33.11 3mx0 n PRO 351 CO 0.00 0.00 0.00 0.37 1.98 0.00 0.00 175.50 177.85 3mx0 h GLN 352 N -0.17 0.00 -3.35 -0.52 4.15 -1.82 -3.41 115.11 109.99 3mx0 h GLN 352 Ca -0.40 0.00 -0.56 0.00 0.77 0.00 0.00 58.65 58.46 3mx0 h GLN 352 Cb 1.38 0.00 -0.40 0.00 0.21 0.00 0.00 27.48 28.67 3mx0 h GLN 352 CO 0.37 0.00 -0.76 0.34 -1.93 0.00 0.00 178.83 176.85 3mx0 s ASP 353 N -4.87 3.81 0.46 -0.69 3.68 -1.26 -5.00 116.67 112.79 3mx0 s ASP 353 Ca 0.04 -1.48 0.31 0.00 2.13 0.00 0.00 52.55 53.55 3mx0 s ASP 353 Cb 0.11 -0.71 1.54 0.00 -1.45 0.00 0.00 42.92 42.41 3mx0 s ASP 353 CO 0.73 -0.41 1.95 0.77 0.13 0.00 0.00 175.17 178.34 3mx0 h SER 354 N 8.19 0.00 -1.12 -0.34 4.64 -1.88 -2.80 113.55 120.23 3mx0 h SER 354 Ca -0.15 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.16 3mx0 h SER 354 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 3mx0 h SER 354 CO 0.45 0.00 -0.01 0.61 -0.87 0.00 0.00 176.83 177.02 3mx0 n GLY 355 N -0.68 0.90 1.90 -0.77 0.00 -1.26 -3.82 105.19 101.47 3mx0 n GLY 355 Ca -0.01 -0.66 -0.07 0.00 0.00 0.00 0.00 46.02 45.28 3mx0 n GLY 355 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mx0 n GLY 356 N -0.55 0.71 3.69 -0.02 0.00 -1.26 -3.72 105.19 104.04 3mx0 n GLY 356 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3mx0 n GLY 356 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mx0 s ARG 357 N -2.39 2.07 -0.39 1.61 0.52 -1.25 -5.02 118.95 114.10 3mx0 s ARG 357 Ca 0.00 -2.22 0.10 0.00 -0.52 0.00 0.00 55.73 53.09 3mx0 s ARG 357 Cb 0.00 -1.62 0.30 0.00 0.52 0.00 0.00 34.95 34.15 3mx0 s ARG 357 CO 0.00 -0.19 0.65 0.39 0.02 0.00 0.00 175.30 176.17 3mx0 n GLU 358 N -1.12 0.99 -2.71 3.54 1.02 -1.26 -4.84 120.64 116.26 3mx0 n GLU 358 Ca -0.11 -3.40 -0.02 0.00 -0.02 0.00 0.00 57.16 53.61 3mx0 n GLU 358 Cb 0.67 -1.53 0.11 0.00 -0.02 0.00 0.00 31.44 30.67 3mx0 n GLU 358 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3mx0 n ASP 359 N 0.77 -0.75 -4.77 1.62 5.75 -1.26 -5.14 116.55 112.76 3mx0 n ASP 359 Ca 0.24 -2.18 -0.39 0.00 -0.01 0.00 0.00 54.79 52.44 3mx0 n ASP 359 Cb 0.59 0.42 -0.06 0.00 -1.03 0.00 0.00 41.12 41.04 3mx0 n ASP 359 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 3mx0 s ILE 360 N -0.81 4.54 -0.24 2.12 1.01 -1.26 -4.24 121.20 122.31 3mx0 s ILE 360 Ca 0.14 1.59 -0.00 0.00 0.00 0.00 0.00 60.65 62.38 3mx0 s ILE 360 Cb 0.42 -4.09 0.07 0.00 0.01 0.00 0.00 42.46 38.87 3mx0 s ILE 360 CO -0.11 0.49 0.00 0.68 0.00 0.00 0.00 174.94 176.00 3mx0 s VAL 361 N -0.83 1.23 -0.12 2.92 -7.23 0.57 -4.77 120.40 112.16 3mx0 s VAL 361 Ca 0.35 -1.16 -0.29 0.00 -1.81 0.00 0.00 61.98 59.06 3mx0 s VAL 361 Cb -0.22 -1.65 -0.02 0.00 0.56 0.00 0.00 36.38 35.05 3mx0 s VAL 361 CO 0.24 -0.26 1.26 -0.31 -0.31 0.00 0.00 175.10 175.72 3mx0 s TYR 362 N 1.51 2.93 -0.12 2.82 1.51 -1.14 -3.34 117.35 121.51 3mx0 s TYR 362 Ca -0.01 1.04 -0.01 0.00 -1.01 0.00 0.00 57.07 57.08 3mx0 s TYR 362 Cb -0.18 -3.50 -0.02 0.00 -0.11 0.00 0.00 41.96 38.15 3mx0 s TYR 362 CO -0.10 -1.67 -0.08 -1.54 -1.11 0.00 0.00 175.55 171.05 3mx0 s SER 363 N 1.86 4.47 -0.03 2.29 1.04 -0.64 0.34 113.70 123.03 3mx0 s SER 363 Ca 0.56 -0.17 0.06 0.00 0.48 0.00 0.00 55.95 56.88 3mx0 s SER 363 Cb -0.23 -1.55 -0.01 0.00 0.10 0.00 0.00 66.02 64.32 3mx0 s SER 363 CO 0.18 0.22 -0.22 -0.69 0.98 0.00 0.00 173.24 173.71 3mx0 s VAL 364 N 0.05 1.76 0.43 5.02 1.01 -1.12 -0.26 120.40 127.28 3mx0 s VAL 364 Ca -0.02 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.06 3mx0 s VAL 364 Cb -0.14 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.73 3mx0 s VAL 364 CO 0.03 0.50 0.04 0.42 0.00 0.00 0.00 175.10 176.09 3mx0 s THR 365 N -0.36 1.25 0.29 3.92 -4.23 -0.29 -4.67 115.64 111.54 3mx0 s THR 365 Ca 0.04 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.54 3mx0 s THR 365 Cb -0.10 -2.52 -0.02 0.00 1.34 0.00 0.00 72.50 71.21 3mx0 s THR 365 CO 0.00 0.00 0.34 0.00 -0.54 0.00 0.00 174.62 174.43 3mx0 n GLU 367 N -0.48 0.72 -2.91 0.00 1.02 -0.94 -3.93 120.64 114.12 3mx0 n GLU 367 Ca 0.03 -1.51 -0.09 0.00 -0.02 0.00 0.00 57.16 55.57 3mx0 n GLU 367 Cb 0.63 1.95 -0.02 0.00 -0.02 0.00 0.00 31.44 33.98 3mx0 n GLU 367 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 3mx0 s GLN 368 N -2.06 1.03 -0.96 3.49 -0.21 -0.41 -3.96 119.66 116.59 3mx0 s GLN 368 Ca 0.16 -1.29 -0.21 0.00 0.02 0.00 0.00 55.36 54.03 3mx0 s GLN 368 Cb -0.03 -0.36 0.08 0.00 1.00 0.00 0.00 33.01 33.70 3mx0 s GLN 368 CO 0.07 -1.34 1.29 0.00 -2.12 0.00 0.00 175.29 173.19 3mx0 s TRP 370 N 4.00 3.54 -0.38 0.00 -0.11 -1.20 -3.68 118.94 121.11 3mx0 s TRP 370 Ca 0.39 1.24 -0.07 0.00 1.22 0.00 0.00 56.10 58.89 3mx0 s TRP 370 Cb -0.03 -2.85 0.06 0.00 -1.50 0.00 0.00 33.47 29.16 3mx0 s TRP 370 CO -0.08 0.01 0.17 -1.25 -4.62 0.00 0.00 176.95 171.18 3mx0 s PRO 371 N 1.11 2.53 3.25 5.86 0.04 -1.26 0.64 135.00 147.16 3mx0 s PRO 371 Ca 0.37 -1.37 0.00 0.00 0.04 0.00 0.00 61.00 60.05 3mx0 s PRO 371 Cb -0.18 -3.58 0.00 0.00 0.04 0.00 0.00 34.50 30.78 3mx0 s PRO 371 CO 0.17 -0.82 0.00 0.45 0.04 0.00 0.00 177.00 176.84 3mx0 n SER 373 N 4.81 -1.20 0.00 6.66 2.88 -1.26 -5.08 113.62 120.43 3mx0 n SER 373 Ca -0.10 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 3mx0 n SER 373 Cb 0.43 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.89 3mx0 n SER 373 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3mx0 n GLY 374 N 0.00 0.00 3.62 0.46 0.00 0.21 -5.10 105.19 104.38 3mx0 n GLY 374 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 3mx0 n GLY 374 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3mx0 n GLU 375 N -0.21 2.23 -2.51 1.61 -0.00 -1.25 -4.49 120.64 116.02 3mx0 n GLU 375 Ca 0.00 0.73 -0.31 0.00 -0.00 0.00 0.00 57.16 57.58 3mx0 n GLU 375 Cb 0.00 -3.00 -0.02 0.00 -0.00 0.00 0.00 31.44 28.41 3mx0 n GLU 375 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3mx0 n GLY 377 N -1.72 1.60 3.19 0.00 0.00 -1.02 -4.94 105.19 102.30 3mx0 n GLY 377 Ca 0.04 0.34 -0.37 0.00 0.00 0.00 0.00 46.02 46.03 3mx0 n GLY 377 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3mx0 n PRO 378 N 0.00 0.04 -0.28 1.61 -0.02 -1.26 -1.28 135.00 133.80 3mx0 n PRO 378 Ca 0.00 0.02 -0.15 0.00 -2.02 0.00 0.00 63.50 61.35 3mx0 n PRO 378 Cb 0.00 -1.13 0.14 0.00 -0.02 0.00 0.00 33.50 32.50 3mx0 n PRO 378 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3mx0 s GLU 380 N -3.49 1.71 0.00 0.00 2.02 -1.26 -4.95 118.70 112.72 3mx0 s GLU 380 Ca 0.33 -0.75 0.08 0.00 0.02 0.00 0.00 54.97 54.64 3mx0 s GLU 380 Cb -0.06 -1.65 0.41 0.00 0.10 0.00 0.00 34.13 32.93 3mx0 s GLU 380 CO 0.27 0.45 1.03 0.00 0.02 0.00 0.00 175.26 177.03 3mx0 n ALA 381 N 2.57 1.63 -0.14 5.21 0.00 -1.26 -2.64 120.51 125.87 3mx0 n ALA 381 Ca -0.15 -0.04 0.22 0.00 0.00 0.00 0.00 53.44 53.47 3mx0 n ALA 381 Cb 0.53 -1.12 0.63 0.00 0.00 0.00 0.00 19.45 19.49 3mx0 n ALA 381 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3mx0 h SER 382 N 0.00 0.16 -4.13 0.00 4.64 -1.95 -3.42 113.55 108.86 3mx0 h SER 382 Ca 0.00 0.01 -0.51 0.00 -0.47 0.00 0.00 61.79 60.82 3mx0 h SER 382 Cb 0.04 -0.02 0.09 0.00 -0.31 0.00 0.00 62.40 62.21 3mx0 h SER 382 CO 0.00 0.07 0.42 0.68 -0.87 0.00 0.00 176.83 177.13 3mx0 s VAL 383 N -5.16 3.06 0.14 0.95 -7.23 -1.08 -4.92 120.40 106.16 3mx0 s VAL 383 Ca -0.06 0.60 0.11 0.00 -1.81 0.00 0.00 61.98 60.81 3mx0 s VAL 383 Cb 0.21 -3.18 -0.04 0.00 0.56 0.00 0.00 36.38 33.94 3mx0 s VAL 383 CO 0.76 -0.21 -0.25 0.00 -0.31 0.00 0.00 175.10 175.10 3mx0 s ARG 384 N -3.59 1.48 0.00 4.82 3.03 0.37 -4.99 118.95 120.07 3mx0 s ARG 384 Ca 0.72 -1.35 0.00 0.00 2.03 0.00 0.00 55.73 57.13 3mx0 s ARG 384 Cb -0.24 -1.93 0.00 0.00 -1.03 0.00 0.00 34.95 31.75 3mx0 s ARG 384 CO 0.33 0.45 0.00 0.66 -1.13 0.00 0.00 175.30 175.61 3mx0 n TYR 385 N 0.80 0.00 -1.56 5.89 4.02 -1.26 -0.74 117.16 124.31 3mx0 n TYR 385 Ca -0.17 0.00 0.06 0.00 -0.01 0.00 0.00 57.90 57.79 3mx0 n TYR 385 Cb 0.53 0.00 0.13 0.00 -0.02 0.00 0.00 39.34 39.98 3mx0 n TYR 385 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3mx0 n SER 386 N -1.17 1.64 -3.64 7.72 3.41 -1.06 -4.79 113.62 115.73 3mx0 n SER 386 Ca 0.00 -3.09 -0.03 0.00 -0.26 0.00 0.00 58.87 55.48 3mx0 n SER 386 Cb 0.00 -0.42 -0.05 0.00 -0.26 0.00 0.00 64.21 63.48 3mx0 n SER 386 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3mx0 s GLU 387 N -2.26 0.12 0.58 4.33 2.56 -1.26 -4.87 118.70 117.90 3mx0 s GLU 387 Ca 0.30 0.07 -0.20 0.00 0.00 0.00 0.00 54.97 55.14 3mx0 s GLU 387 Cb 0.29 0.06 -0.05 0.00 2.00 0.00 0.00 34.13 36.43 3mx0 s GLU 387 CO -0.03 -0.03 1.08 -2.30 -0.56 0.00 0.00 175.26 173.42 3mx0 n PRO 388 N 0.98 1.13 0.37 4.30 -0.02 -1.26 -4.99 135.00 135.51 3mx0 n PRO 388 Ca -0.05 0.43 -0.14 0.00 -2.02 0.00 0.00 63.50 61.71 3mx0 n PRO 388 Cb 0.58 -2.27 -0.07 0.00 -0.02 0.00 0.00 33.50 31.72 3mx0 n PRO 388 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3mx0 h PRO 389 N 0.79 -0.91 -6.18 0.52 0.13 -1.96 -3.46 132.00 120.93 3mx0 h PRO 389 Ca -0.49 0.06 -0.56 0.00 -0.87 0.00 0.00 66.00 64.14 3mx0 h PRO 389 Cb 1.35 0.21 -0.03 0.00 0.13 0.00 0.00 31.00 32.66 3mx0 h PRO 389 CO 0.53 -0.61 -0.34 -1.01 -0.23 0.00 0.00 178.00 176.35 3mx0 s HIS 390 N -4.82 3.48 -0.24 1.56 3.76 -1.26 -2.80 115.29 114.97 3mx0 s HIS 390 Ca -0.14 0.42 -0.03 0.00 -0.15 0.00 0.00 55.06 55.17 3mx0 s HIS 390 Cb 0.01 -1.91 0.01 0.00 1.11 0.00 0.00 32.58 31.80 3mx0 s HIS 390 CO 0.41 0.41 0.05 0.41 -0.85 0.00 0.00 174.74 175.18 3mx0 n GLY 391 N -0.29 -4.32 2.91 -2.22 0.00 -0.08 -4.91 105.19 96.29 3mx0 n GLY 391 Ca -0.04 0.63 -0.29 0.00 0.00 0.00 0.00 46.02 46.32 3mx0 n GLY 391 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3mx0 s LEU 392 N -1.20 1.97 -0.00 0.99 1.02 0.15 -4.77 118.68 116.84 3mx0 s LEU 392 Ca -0.06 -0.85 0.06 0.00 0.02 0.00 0.00 54.13 53.29 3mx0 s LEU 392 Cb 0.00 -1.03 0.17 0.00 0.02 0.00 0.00 46.19 45.36 3mx0 s LEU 392 CO 0.67 -0.20 1.12 0.35 0.02 0.00 0.00 176.35 178.31 3mx0 n THR 393 N 4.80 0.28 -4.32 5.49 -2.24 -1.26 -2.88 114.28 114.15 3mx0 n THR 393 Ca -0.12 -0.26 -0.26 0.00 -2.27 0.00 0.00 64.05 61.13 3mx0 n THR 393 Cb 0.46 0.09 -0.08 0.00 -2.10 0.00 0.00 70.33 68.71 3mx0 n THR 393 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3mx0 s ARG 394 N -1.73 2.14 -0.18 -0.78 0.52 -1.26 -5.06 118.95 112.60 3mx0 s ARG 394 Ca 0.13 -1.98 0.17 0.00 -0.52 0.00 0.00 55.73 53.52 3mx0 s ARG 394 Cb 0.07 -1.85 0.47 0.00 0.52 0.00 0.00 34.95 34.17 3mx0 s ARG 394 CO 0.08 -0.14 1.36 0.25 0.02 0.00 0.00 175.30 176.87 3mx0 n THR 395 N -1.19 2.22 -3.59 0.02 -2.24 -1.26 -4.92 114.28 103.32 3mx0 n THR 395 Ca -0.04 -2.06 -0.09 0.00 -2.27 0.00 0.00 64.05 59.59 3mx0 n THR 395 Cb 0.65 -0.26 -0.05 0.00 -2.10 0.00 0.00 70.33 68.57 3mx0 n THR 395 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3mx0 s SER 396 N -2.22 -0.31 0.00 3.42 1.04 -1.25 -1.24 113.70 113.13 3mx0 s SER 396 Ca 0.40 0.36 0.00 0.00 0.48 0.00 0.00 55.95 57.19 3mx0 s SER 396 Cb 0.33 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.74 3mx0 s SER 396 CO 0.07 -0.27 0.00 1.33 0.98 0.00 0.00 173.24 175.35 3mx0 n VAL 397 N 0.80 0.00 -3.52 5.02 0.24 -1.13 -4.96 118.33 114.78 3mx0 n VAL 397 Ca -0.09 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.05 3mx0 n VAL 397 Cb 0.58 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.82 3mx0 n VAL 397 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3mx0 s THR 398 N -1.40 -0.35 -0.68 3.34 2.01 -1.26 -2.15 115.64 115.14 3mx0 s THR 398 Ca 0.00 -0.02 -0.21 0.00 0.31 0.00 0.00 61.69 61.78 3mx0 s THR 398 Cb 0.00 -0.62 0.09 0.00 0.01 0.00 0.00 72.50 71.98 3mx0 s THR 398 CO 0.00 -0.12 0.91 -0.69 -0.69 0.00 0.00 174.62 174.03 3mx0 s VAL 399 N 2.35 4.54 0.56 3.82 1.01 -0.57 -2.57 120.40 129.53 3mx0 s VAL 399 Ca 0.06 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.33 3mx0 s VAL 399 Cb -0.15 -4.64 0.06 0.00 0.00 0.00 0.00 36.38 31.64 3mx0 s VAL 399 CO -0.11 -1.37 0.77 -0.94 0.00 0.00 0.00 175.10 173.45 3mx0 s SER 400 N 3.64 5.16 -0.00 3.32 1.04 0.08 -2.69 113.70 124.25 3mx0 s SER 400 Ca 0.21 -0.33 -0.00 0.00 0.48 0.00 0.00 55.95 56.31 3mx0 s SER 400 Cb -0.17 -0.45 0.00 0.00 0.10 0.00 0.00 66.02 65.50 3mx0 s SER 400 CO 0.06 -1.22 0.00 -0.67 0.98 0.00 0.00 173.24 172.39 3mx0 n ASP 401 N -2.30 -2.00 -4.74 7.02 4.64 -1.26 -0.48 116.55 117.43 3mx0 n ASP 401 Ca 0.11 -0.00 -0.24 0.00 -1.38 0.00 0.00 54.79 53.28 3mx0 n ASP 401 Cb 0.60 -0.51 -0.07 0.00 -1.04 0.00 0.00 41.12 40.10 3mx0 n ASP 401 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 3mx0 s LEU 402 N -1.96 3.16 -0.36 -2.67 1.43 -1.26 -3.96 118.68 113.06 3mx0 s LEU 402 Ca 0.00 -0.98 -0.03 0.00 -1.03 0.00 0.00 54.13 52.09 3mx0 s LEU 402 Cb -0.00 -1.55 0.08 0.00 0.03 0.00 0.00 46.19 44.75 3mx0 s LEU 402 CO 0.00 -0.49 0.11 -0.70 0.23 0.00 0.00 176.35 175.50 3mx0 s GLU 403 N -3.90 2.24 0.17 1.70 2.12 -1.26 -5.08 118.70 114.68 3mx0 s GLU 403 Ca 0.41 -1.52 -0.34 0.00 0.36 0.00 0.00 54.97 53.88 3mx0 s GLU 403 Cb 0.02 -3.41 -0.14 0.00 0.26 0.00 0.00 34.13 30.86 3mx0 s GLU 403 CO 0.23 -0.84 1.53 -2.30 -0.54 0.00 0.00 175.26 173.34 3mx0 n PRO 404 N 4.63 2.05 -1.41 4.30 -0.02 -1.26 -4.30 135.00 138.99 3mx0 n PRO 404 Ca -0.08 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3mx0 n PRO 404 Cb 0.43 -2.48 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 3mx0 n PRO 404 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 3mx0 n HIS 405 N 3.12 0.00 -3.65 6.00 -0.00 -1.21 -4.91 115.22 114.57 3mx0 n HIS 405 Ca 0.16 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.87 3mx0 n HIS 405 Cb 0.28 -1.41 -0.06 0.00 -0.00 0.00 0.00 29.99 28.80 3mx0 n HIS 405 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 176.34 177.75 3mx0 s MET 406 N -0.44 0.22 0.00 1.57 0.00 -1.26 -4.97 119.30 114.42 3mx0 s MET 406 Ca 0.00 0.37 -0.01 0.00 0.00 0.00 0.00 55.69 56.05 3mx0 s MET 406 Cb 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 34.83 34.85 3mx0 s MET 406 CO 0.00 -0.04 0.82 -1.71 0.00 0.00 0.00 175.02 174.09 3mx0 n ASN 407 N 3.20 0.74 -4.29 1.11 5.15 -1.24 -3.93 115.26 116.01 3mx0 n ASN 407 Ca -0.17 -1.56 -0.12 0.00 -0.60 0.00 0.00 54.58 52.13 3mx0 n ASN 407 Cb 0.57 -0.19 -0.13 0.00 -0.53 0.00 0.00 39.78 39.50 3mx0 n ASN 407 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44 3mx0 n TYR 408 N 2.74 0.01 -2.50 1.20 0.53 -1.12 -4.43 117.16 113.59 3mx0 n TYR 408 Ca 0.05 -0.00 -0.42 0.00 -1.02 0.00 0.00 57.90 56.51 3mx0 n TYR 408 Cb 0.12 -0.51 -0.03 0.00 -1.03 0.00 0.00 39.34 37.88 3mx0 n TYR 408 CO 0.00 0.00 0.00 0.99 -1.02 0.00 0.00 176.86 176.83 3mx0 s THR 409 N 0.10 4.17 0.08 -0.72 2.01 -1.26 -1.55 115.64 118.47 3mx0 s THR 409 Ca 0.75 1.61 0.06 0.00 0.31 0.00 0.00 61.69 64.42 3mx0 s THR 409 Cb -0.48 -4.03 -0.03 0.00 0.01 0.00 0.00 72.50 67.97 3mx0 s THR 409 CO 0.32 0.15 -0.17 -0.36 -0.69 0.00 0.00 174.62 173.88 3mx0 s PHE 410 N 0.81 1.45 -0.16 4.92 2.99 0.21 -2.22 117.98 125.97 3mx0 s PHE 410 Ca 0.56 -0.44 -0.06 0.00 0.00 0.00 0.00 56.93 56.98 3mx0 s PHE 410 Cb -0.28 -0.81 0.07 0.00 0.00 0.00 0.00 43.02 42.01 3mx0 s PHE 410 CO 0.30 0.12 0.35 -0.08 -0.00 0.00 0.00 175.22 175.91 3mx0 s THR 411 N -1.22 -0.43 0.19 0.64 -1.32 -1.17 -0.19 115.64 112.14 3mx0 s THR 411 Ca 0.01 0.19 0.04 0.00 -1.21 0.00 0.00 61.69 60.73 3mx0 s THR 411 Cb -0.10 -0.56 -0.04 0.00 -1.51 0.00 0.00 72.50 70.29 3mx0 s THR 411 CO 0.03 0.08 0.23 0.54 -2.21 0.00 0.00 174.62 173.30 3mx0 s VAL 412 N 2.25 4.90 -0.02 5.08 0.11 -0.44 -1.14 120.40 131.14 3mx0 s VAL 412 Ca -0.03 -0.98 0.02 0.00 -2.93 0.00 0.00 61.98 58.07 3mx0 s VAL 412 Cb -0.11 -3.56 0.00 0.00 -1.53 0.00 0.00 36.38 31.18 3mx0 s VAL 412 CO -0.11 -0.18 -0.07 -0.70 -3.33 0.00 0.00 175.10 170.71 3mx0 s GLU 413 N -3.41 0.80 -0.40 1.54 2.12 0.64 -1.88 118.70 118.10 3mx0 s GLU 413 Ca 0.33 -0.24 -0.18 0.00 0.36 0.00 0.00 54.97 55.23 3mx0 s GLU 413 Cb -0.10 -0.77 0.01 0.00 0.26 0.00 0.00 34.13 33.54 3mx0 s GLU 413 CO 0.26 0.09 0.51 0.00 -0.54 0.00 0.00 175.26 175.58 3mx0 s ALA 414 N 0.22 3.42 -0.01 6.30 0.00 -1.20 -1.62 121.76 128.87 3mx0 s ALA 414 Ca -0.03 -1.26 0.04 0.00 0.00 0.00 0.00 51.96 50.70 3mx0 s ALA 414 Cb -0.08 -3.09 -0.01 0.00 0.00 0.00 0.00 23.12 19.94 3mx0 s ALA 414 CO 0.00 -1.50 -0.12 1.03 0.00 0.00 0.00 175.76 175.18 3mx0 s ARG 415 N 2.39 1.02 0.00 0.00 0.52 -1.21 -4.37 118.95 117.29 3mx0 s ARG 415 Ca 0.17 -0.42 0.00 0.00 -0.52 0.00 0.00 55.73 54.95 3mx0 s ARG 415 Cb -0.16 -0.97 0.00 0.00 0.52 0.00 0.00 34.95 34.34 3mx0 s ARG 415 CO 0.15 0.24 0.00 0.27 0.02 0.00 0.00 175.30 175.98 3mx0 n ASN 416 N 2.87 0.00 -0.05 0.23 0.23 -1.26 0.21 115.26 117.48 3mx0 n ASN 416 Ca -0.15 0.00 -0.07 0.00 -0.53 0.00 0.00 54.58 53.84 3mx0 n ASN 416 Cb 0.55 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.20 3mx0 n ASN 416 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3mx0 n GLY 417 N 5.00 -0.18 0.16 4.83 0.00 -1.26 -4.44 105.19 109.30 3mx0 n GLY 417 Ca 0.00 -0.08 0.01 0.00 0.00 0.00 0.00 46.02 45.95 3mx0 n GLY 417 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3mx0 n VAL 418 N -2.74 0.08 1.07 1.61 0.24 -1.26 -4.10 118.33 113.23 3mx0 n VAL 418 Ca -0.18 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 3mx0 n VAL 418 Cb 0.71 -0.04 0.00 0.00 -1.47 0.00 0.00 33.84 33.04 3mx0 n VAL 418 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 3mx0 n SER 419 N -0.30 0.95 -0.01 -1.34 7.64 -1.26 -2.96 113.62 116.34 3mx0 n SER 419 Ca 0.02 -2.00 0.02 0.00 1.01 0.00 0.00 58.87 57.91 3mx0 n SER 419 Cb 0.08 -0.46 -0.04 0.00 -1.01 0.00 0.00 64.21 62.78 3mx0 n SER 419 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3mx0 n GLY 420 N 0.04 -0.24 1.42 0.23 0.00 -1.26 -4.43 105.19 100.96 3mx0 n GLY 420 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3mx0 n GLY 420 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3mx0 n LEU 421 N -1.77 4.84 -3.64 0.99 4.77 -1.16 -4.72 117.00 116.32 3mx0 n LEU 421 Ca -0.02 -2.21 -0.03 0.00 -0.03 0.00 0.00 56.01 53.72 3mx0 n LEU 421 Cb 0.23 -1.00 -0.05 0.00 -2.33 0.00 0.00 43.42 40.27 3mx0 n LEU 421 CO 0.11 0.90 0.31 0.54 -1.33 0.00 0.00 177.39 177.92 3mx0 s VAL 422 N 0.04 -0.56 -0.12 4.08 0.11 -1.26 -5.01 120.40 117.67 3mx0 s VAL 422 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.05 3mx0 s VAL 422 Cb 0.00 -1.00 -0.24 0.00 -1.53 0.00 0.00 36.38 33.61 3mx0 s VAL 422 CO 0.00 0.00 0.35 0.35 -3.33 0.00 0.00 175.10 172.47 3mx0 n THR 423 N 4.94 1.69 -1.48 5.04 -2.24 -1.26 -4.85 114.28 116.11 3mx0 n THR 423 Ca -0.15 -0.69 -0.45 0.00 -2.27 0.00 0.00 64.05 60.49 3mx0 n THR 423 Cb 0.53 -1.46 -0.08 0.00 -2.10 0.00 0.00 70.33 67.23 3mx0 n THR 423 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3mx0 n SER 424 N -3.31 1.78 -4.86 3.42 2.88 -1.26 -4.93 113.62 107.33 3mx0 n SER 424 Ca -0.30 0.11 -0.31 0.00 -1.33 0.00 0.00 58.87 57.04 3mx0 n SER 424 Cb 1.05 -1.28 0.03 0.00 -0.75 0.00 0.00 64.21 63.27 3mx0 n SER 424 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 3mx0 s ARG 425 N 7.39 3.14 -0.29 -1.46 1.81 -1.26 -5.08 118.95 123.19 3mx0 s ARG 425 Ca 1.12 0.68 -0.03 0.00 -1.72 0.00 0.00 55.73 55.77 3mx0 s ARG 425 Cb -0.76 -2.03 0.11 0.00 -0.45 0.00 0.00 34.95 31.81 3mx0 s ARG 425 CO 0.43 -0.88 0.16 0.45 -0.68 0.00 0.00 175.30 174.77 3mx0 s SER 426 N -4.16 3.25 0.26 0.23 0.15 -1.26 -5.07 113.70 107.11 3mx0 s SER 426 Ca 0.57 -1.28 -0.02 0.00 0.70 0.00 0.00 55.95 55.92 3mx0 s SER 426 Cb -0.12 -0.24 -0.02 0.00 -1.71 0.00 0.00 66.02 63.93 3mx0 s SER 426 CO 0.53 -0.42 0.30 0.72 1.20 0.00 0.00 173.24 175.57 3mx0 s PHE 427 N 2.07 1.08 -0.08 3.44 -0.12 -1.26 -3.28 117.98 119.83 3mx0 s PHE 427 Ca 0.10 -1.28 -0.07 0.00 -0.05 0.00 0.00 56.93 55.63 3mx0 s PHE 427 Cb -0.16 -0.34 0.02 0.00 -0.63 0.00 0.00 43.02 41.91 3mx0 s PHE 427 CO -0.34 -0.85 0.20 0.50 -0.05 0.00 0.00 175.22 174.68 3mx0 s ARG 428 N -3.79 0.22 0.10 1.99 3.52 -0.79 -4.84 118.95 115.37 3mx0 s ARG 428 Ca 0.34 0.32 0.03 0.00 -0.13 0.00 0.00 55.73 56.29 3mx0 s ARG 428 Cb 0.03 0.06 -0.04 0.00 -1.56 0.00 0.00 34.95 33.45 3mx0 s ARG 428 CO 0.16 -0.06 -0.09 0.95 -0.81 0.00 0.00 175.30 175.45 3mx0 s THR 429 N 0.33 0.85 0.24 4.11 -4.23 -1.26 -1.32 115.64 114.36 3mx0 s THR 429 Ca -0.02 -1.71 -0.22 0.00 -1.18 0.00 0.00 61.69 58.56 3mx0 s THR 429 Cb -0.03 -1.42 0.03 0.00 1.34 0.00 0.00 72.50 72.42 3mx0 s THR 429 CO -0.01 -0.65 0.75 0.00 -0.54 0.00 0.00 174.62 174.17 3mx0 s ALA 430 N -2.76 -1.34 0.07 3.99 0.00 0.73 -4.97 121.76 117.48 3mx0 s ALA 430 Ca 0.07 -0.14 0.02 0.00 0.00 0.00 0.00 51.96 51.91 3mx0 s ALA 430 Cb -0.01 0.81 -0.03 0.00 0.00 0.00 0.00 23.12 23.89 3mx0 s ALA 430 CO -0.01 -1.01 -0.07 -1.12 0.00 0.00 0.00 175.76 173.55 3mx0 s SER 431 N -2.90 0.96 -0.01 0.00 0.01 -1.26 0.67 113.70 111.18 3mx0 s SER 431 Ca 0.10 -0.78 -0.24 0.00 1.31 0.00 0.00 55.95 56.34 3mx0 s SER 431 Cb -0.05 0.07 0.05 0.00 0.21 0.00 0.00 66.02 66.31 3mx0 s SER 431 CO 0.04 -0.34 0.54 0.68 0.41 0.00 0.00 173.24 174.57 3mx0 s VAL 432 N -2.51 0.02 -0.03 3.43 -7.23 -0.60 -4.94 120.40 108.55 3mx0 s VAL 432 Ca 0.01 -0.19 0.01 0.00 -1.81 0.00 0.00 61.98 59.99 3mx0 s VAL 432 Cb -0.02 -0.90 0.02 0.00 0.56 0.00 0.00 36.38 36.04 3mx0 s VAL 432 CO -0.02 -0.11 -0.01 -0.44 -0.31 0.00 0.00 175.10 174.22 3mx0 s SER 433 N -1.46 0.41 0.28 4.85 0.01 -1.25 -2.81 113.70 113.73 3mx0 s SER 433 Ca -0.10 -0.03 0.08 0.00 1.31 0.00 0.00 55.95 57.20 3mx0 s SER 433 Cb -0.01 -0.20 -0.03 0.00 0.21 0.00 0.00 66.02 65.99 3mx0 s SER 433 CO 0.05 -0.08 0.19 -0.51 0.41 0.00 0.00 173.24 173.31 3mx0 s ILE 434 N 0.83 3.95 0.00 1.44 1.10 -1.26 -4.84 121.20 122.42 3mx0 s ILE 434 Ca -0.08 -1.49 0.00 0.00 -0.51 0.00 0.00 60.65 58.57 3mx0 s ILE 434 Cb -0.12 -3.23 0.00 0.00 0.15 0.00 0.00 42.46 39.26 3mx0 s ILE 434 CO -0.01 -0.29 0.00 -0.46 -2.11 0.00 0.00 174.94 172.06