#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mx0 n ALA 29 N 0.00 2.46 -0.13 3.52 0.00 -1.26 -4.93 120.51 120.18 3mx0 n ALA 29 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 3mx0 n ALA 29 Cb 0.00 0.11 -0.10 0.00 0.00 0.00 0.00 19.45 19.46 3mx0 n ALA 29 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3mx0 n ASP 30 N -2.13 1.92 -4.90 0.00 8.00 -1.26 -4.99 116.55 113.19 3mx0 n ASP 30 Ca 0.00 0.37 -0.31 0.00 0.71 0.00 0.00 54.79 55.56 3mx0 n ASP 30 Cb 0.11 -0.87 -0.04 0.00 -0.02 0.00 0.00 41.12 40.30 3mx0 n ASP 30 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3mx0 s ARG 31 N -2.46 3.62 -0.24 -1.24 0.52 -1.26 -1.30 118.95 116.58 3mx0 s ARG 31 Ca -0.35 -0.10 -0.01 0.00 -0.52 0.00 0.00 55.73 54.75 3mx0 s ARG 31 Cb 0.12 -2.81 0.07 0.00 0.52 0.00 0.00 34.95 32.84 3mx0 s ARG 31 CO 0.52 0.42 0.03 0.71 0.02 0.00 0.00 175.30 177.01 3mx0 s TYR 32 N -1.74 1.65 0.56 -0.53 1.51 0.56 -4.34 117.35 115.01 3mx0 s TYR 32 Ca 0.41 -1.40 -0.17 0.00 -1.01 0.00 0.00 57.07 54.90 3mx0 s TYR 32 Cb -0.12 -1.42 -0.05 0.00 -0.11 0.00 0.00 41.96 40.26 3mx0 s TYR 32 CO 0.26 -0.74 1.04 0.00 -1.11 0.00 0.00 175.55 175.00 3mx0 s ALA 33 N 1.64 2.81 -0.32 3.71 0.00 -1.26 0.79 121.76 129.13 3mx0 s ALA 33 Ca 0.01 0.43 -0.01 0.00 0.00 0.00 0.00 51.96 52.39 3mx0 s ALA 33 Cb -0.18 -3.22 0.19 0.00 0.00 0.00 0.00 23.12 19.91 3mx0 s ALA 33 CO -0.13 -0.61 0.79 0.08 0.00 0.00 0.00 175.76 175.89 3mx0 s VAL 34 N -2.35 -0.68 -1.18 0.00 1.01 -0.66 -4.83 120.40 111.71 3mx0 s VAL 34 Ca 0.64 0.00 -0.16 0.00 0.00 0.00 0.00 61.98 62.46 3mx0 s VAL 34 Cb -0.15 -0.48 0.13 0.00 0.00 0.00 0.00 36.38 35.88 3mx0 s VAL 34 CO 0.32 0.00 1.48 -0.31 0.00 0.00 0.00 175.10 176.59 3mx0 s TYR 35 N 2.59 3.17 0.00 5.22 1.51 -1.26 -3.05 117.35 125.54 3mx0 s TYR 35 Ca 0.17 -1.80 -0.23 0.00 -1.01 0.00 0.00 57.07 54.20 3mx0 s TYR 35 Cb -0.05 -4.47 -0.29 0.00 -0.11 0.00 0.00 41.96 37.05 3mx0 s TYR 35 CO -0.20 -1.57 1.37 1.87 -1.11 0.00 0.00 175.55 175.90 3mx0 n TRP 36 N 6.80 0.00 -4.42 2.71 -0.00 -1.19 -4.74 117.44 116.59 3mx0 n TRP 36 Ca 0.38 -0.43 -0.21 0.00 -0.00 0.00 0.00 57.50 57.24 3mx0 n TRP 36 Cb 0.45 -0.68 -0.16 0.00 -0.00 0.00 0.00 31.31 30.92 3mx0 n TRP 36 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 3mx0 s ASN 37 N 6.20 1.29 0.18 5.87 2.20 -1.26 -4.07 114.94 125.35 3mx0 s ASN 37 Ca 0.52 -0.20 -0.12 0.00 -0.94 0.00 0.00 52.86 52.12 3mx0 s ASN 37 Cb 0.11 -0.39 0.21 0.00 -2.00 0.00 0.00 41.25 39.18 3mx0 s ASN 37 CO 0.26 0.06 1.16 -1.54 -2.94 0.00 0.00 177.10 174.11 3mx0 n SER 38 N 3.37 -0.45 0.17 3.54 3.41 -1.26 0.15 113.62 122.54 3mx0 n SER 38 Ca -0.19 1.30 0.04 0.00 -0.26 0.00 0.00 58.87 59.76 3mx0 n SER 38 Cb 0.54 -0.31 0.20 0.00 -0.26 0.00 0.00 64.21 64.38 3mx0 n SER 38 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3mx0 h SER 39 N 0.00 0.00 -2.71 4.04 0.02 -1.97 -3.41 113.55 109.53 3mx0 h SER 39 Ca 0.28 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.70 3mx0 h SER 39 Cb 0.46 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.03 3mx0 h SER 39 CO -0.75 0.00 0.98 0.21 -1.14 0.00 0.00 176.83 176.13 3mx0 s ASN 40 N -3.02 6.58 0.35 3.07 2.47 0.39 -4.91 114.94 119.88 3mx0 s ASN 40 Ca -0.01 2.54 0.06 0.00 0.42 0.00 0.00 52.86 55.88 3mx0 s ASN 40 Cb 0.02 -2.57 0.67 0.00 -1.45 0.00 0.00 41.25 37.92 3mx0 s ASN 40 CO 0.07 -0.88 1.88 1.55 -3.72 0.00 0.00 177.10 176.00 3mx0 h PRO 41 N 7.96 0.40 0.00 0.43 0.13 -1.88 -2.85 132.00 136.19 3mx0 h PRO 41 Ca -0.43 -0.09 -0.03 0.00 -0.87 0.00 0.00 66.00 64.58 3mx0 h PRO 41 Cb 1.20 -0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 3mx0 h PRO 41 CO 0.93 0.49 -0.16 0.00 -0.23 0.00 0.00 178.00 179.02 3mx0 h ARG 42 N 0.38 0.00 0.03 0.86 2.47 -1.93 -3.26 114.38 112.92 3mx0 h ARG 42 Ca 0.08 0.00 -0.28 0.00 -1.26 0.00 0.00 59.98 58.52 3mx0 h ARG 42 Cb 0.37 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.66 3mx0 h ARG 42 CO 0.02 0.16 -1.52 1.19 0.56 0.00 0.00 179.97 180.38 3mx0 n PHE 43 N -3.45 1.00 0.25 3.04 3.72 -1.14 -3.62 117.46 117.27 3mx0 n PHE 43 Ca -0.01 0.37 0.00 0.00 -0.05 0.00 0.00 57.45 57.76 3mx0 n PHE 43 Cb 0.34 -1.11 0.00 0.00 -0.94 0.00 0.00 39.48 37.77 3mx0 n PHE 43 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 3mx0 n GLN 44 N -4.19 0.25 -0.14 -1.08 7.27 -1.09 -1.14 117.38 117.26 3mx0 n GLN 44 Ca -0.34 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.73 3mx0 n GLN 44 Cb 0.78 -1.34 0.00 0.00 2.41 0.00 0.00 30.24 32.09 3mx0 n GLN 44 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 3mx0 n ARG 45 N 0.80 0.10 0.00 3.69 1.74 -1.26 -5.04 116.66 116.69 3mx0 n ARG 45 Ca 0.00 -0.69 0.00 0.00 -0.77 0.00 0.00 57.85 56.39 3mx0 n ARG 45 Cb 0.12 -0.53 0.00 0.00 -1.02 0.00 0.00 32.46 31.03 3mx0 n ARG 45 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3mx0 n GLY 46 N -0.03 2.89 0.66 -0.13 0.00 -0.29 -4.87 105.19 103.41 3mx0 n GLY 46 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 3mx0 n GLY 46 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3mx0 n ASP 47 N 0.34 1.54 -4.59 1.61 5.75 -1.26 -4.94 116.55 114.99 3mx0 n ASP 47 Ca 0.00 -3.14 -0.49 0.00 -0.01 0.00 0.00 54.79 51.15 3mx0 n ASP 47 Cb 0.00 -0.43 -0.04 0.00 -1.03 0.00 0.00 41.12 39.62 3mx0 n ASP 47 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3mx0 n TYR 48 N -0.74 1.47 -3.60 2.11 4.19 -1.24 -4.89 117.16 114.46 3mx0 n TYR 48 Ca 0.14 0.63 -0.15 0.00 3.31 0.00 0.00 57.90 61.83 3mx0 n TYR 48 Cb 0.78 -2.32 -0.07 0.00 0.49 0.00 0.00 39.34 38.22 3mx0 n TYR 48 CO 0.00 0.00 0.00 -3.38 0.91 0.00 0.00 176.86 174.39 3mx0 s HIS 49 N 0.02 -0.73 -0.11 2.98 -3.43 -1.26 -2.43 115.29 110.34 3mx0 s HIS 49 Ca 0.76 1.63 -0.15 0.00 -0.80 0.00 0.00 55.06 56.49 3mx0 s HIS 49 Cb -0.85 0.32 0.04 0.00 -1.43 0.00 0.00 32.58 30.66 3mx0 s HIS 49 CO 0.50 -0.44 0.38 0.96 -2.00 0.00 0.00 174.74 174.15 3mx0 s ILE 50 N -0.12 0.02 0.05 -5.38 -4.36 -1.08 -5.01 121.20 105.32 3mx0 s ILE 50 Ca -0.03 -0.13 -0.22 0.00 -0.26 0.00 0.00 60.65 60.01 3mx0 s ILE 50 Cb -0.03 -0.59 -0.06 0.00 1.25 0.00 0.00 42.46 43.02 3mx0 s ILE 50 CO 0.03 -0.07 0.64 -1.81 0.24 0.00 0.00 174.94 173.97 3mx0 s ASP 51 N -0.29 7.10 0.25 4.36 1.11 -1.26 -2.74 116.67 125.21 3mx0 s ASP 51 Ca -0.04 1.30 0.01 0.00 0.18 0.00 0.00 52.55 54.00 3mx0 s ASP 51 Cb -0.03 -2.40 -0.05 0.00 1.07 0.00 0.00 42.92 41.51 3mx0 s ASP 51 CO 0.02 0.15 0.11 0.68 1.18 0.00 0.00 175.17 177.31 3mx0 s VAL 52 N -0.55 0.42 0.17 -1.27 -7.23 0.26 -4.95 120.40 107.25 3mx0 s VAL 52 Ca 0.32 -2.00 0.10 0.00 -1.81 0.00 0.00 61.98 58.60 3mx0 s VAL 52 Cb -0.20 -2.60 -0.04 0.00 0.56 0.00 0.00 36.38 34.10 3mx0 s VAL 52 CO 0.20 0.00 -0.22 0.00 -0.31 0.00 0.00 175.10 174.77 3mx0 s ILE 54 N -1.72 3.04 0.00 0.00 1.09 -1.26 -2.08 121.20 120.26 3mx0 s ILE 54 Ca 0.18 0.04 0.00 0.00 -1.10 0.00 0.00 60.65 59.77 3mx0 s ILE 54 Cb -0.07 -3.03 0.00 0.00 -1.06 0.00 0.00 42.46 38.29 3mx0 s ILE 54 CO 0.08 -0.01 0.00 0.59 -0.10 0.00 0.00 174.94 175.50 3mx0 n ASN 55 N 8.84 -1.30 -4.08 3.58 3.02 0.38 -4.98 115.26 120.72 3mx0 n ASN 55 Ca 0.23 0.00 -0.13 0.00 -0.03 0.00 0.00 54.58 54.65 3mx0 n ASN 55 Cb 0.42 -0.33 -0.11 0.00 -0.61 0.00 0.00 39.78 39.15 3mx0 n ASN 55 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3mx0 s ASP 56 N -2.65 0.93 -0.11 6.41 1.11 -0.89 -4.86 116.67 116.61 3mx0 s ASP 56 Ca 0.00 -0.58 -0.03 0.00 0.18 0.00 0.00 52.55 52.11 3mx0 s ASP 56 Cb 0.00 0.03 -0.03 0.00 1.07 0.00 0.00 42.92 43.99 3mx0 s ASP 56 CO 0.00 -0.21 0.02 -0.31 1.18 0.00 0.00 175.17 175.85 3mx0 s TYR 57 N -1.51 3.21 -0.28 4.23 1.51 -0.42 -0.55 117.35 123.54 3mx0 s TYR 57 Ca -0.08 0.17 -0.10 0.00 -1.01 0.00 0.00 57.07 56.05 3mx0 s TYR 57 Cb -0.09 -1.87 -0.03 0.00 -0.11 0.00 0.00 41.96 39.87 3mx0 s TYR 57 CO 0.00 0.41 0.14 -1.17 -1.11 0.00 0.00 175.55 173.82 3mx0 s LEU 58 N -0.59 3.91 -0.27 -1.29 2.96 -0.55 0.21 118.68 123.05 3mx0 s LEU 58 Ca 0.10 -0.27 -0.11 0.00 -0.22 0.00 0.00 54.13 53.63 3mx0 s LEU 58 Cb -0.12 -2.02 -0.05 0.00 0.50 0.00 0.00 46.19 44.50 3mx0 s LEU 58 CO 0.02 -0.11 0.18 -1.81 -1.32 0.00 0.00 176.35 173.32 3mx0 s ASP 59 N 1.66 6.05 -0.96 3.68 1.01 0.24 -1.47 116.67 126.88 3mx0 s ASP 59 Ca 0.06 0.02 -0.03 0.00 0.71 0.00 0.00 52.55 53.31 3mx0 s ASP 59 Cb -0.16 -2.12 0.24 0.00 1.01 0.00 0.00 42.92 41.89 3mx0 s ASP 59 CO 0.07 -0.02 0.90 0.52 0.21 0.00 0.00 175.17 176.85 3mx0 n VAL 60 N 4.87 3.50 -2.16 -1.27 0.31 -1.25 -1.65 118.33 120.69 3mx0 n VAL 60 Ca -0.14 -5.23 -0.40 0.00 -0.01 0.00 0.00 64.34 58.56 3mx0 n VAL 60 Cb 0.52 -2.40 -0.03 0.00 -0.91 0.00 0.00 33.84 31.02 3mx0 n VAL 60 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 3mx0 s PHE 61 N -1.49 1.85 1.21 3.52 0.40 -1.17 -2.36 117.98 119.95 3mx0 s PHE 61 Ca 0.29 0.61 -0.18 0.00 -0.60 0.00 0.00 56.93 57.06 3mx0 s PHE 61 Cb -0.06 -4.21 0.26 0.00 0.51 0.00 0.00 43.02 39.52 3mx0 s PHE 61 CO -0.10 -2.29 0.58 0.00 0.70 0.00 0.00 175.22 174.11 3mx0 s PRO 63 N -4.16 4.36 -0.03 0.00 0.02 -1.26 -4.75 135.00 129.19 3mx0 s PRO 63 Ca 0.51 2.03 -0.01 0.00 0.02 0.00 0.00 61.00 63.55 3mx0 s PRO 63 Cb -0.10 -3.24 0.03 0.00 0.02 0.00 0.00 34.50 31.21 3mx0 s PRO 63 CO 0.45 -0.34 0.04 -1.58 -0.33 0.00 0.00 177.00 175.24 3mx0 s HIS 64 N 0.69 0.10 0.21 6.54 2.46 -1.26 -4.65 115.29 119.38 3mx0 s HIS 64 Ca 0.61 0.16 0.02 0.00 0.47 0.00 0.00 55.06 56.31 3mx0 s HIS 64 Cb -0.36 -0.38 0.02 0.00 -0.13 0.00 0.00 32.58 31.73 3mx0 s HIS 64 CO 0.33 -0.15 0.14 0.66 -2.47 0.00 0.00 174.74 173.26 3mx0 n TYR 65 N 4.69 -1.03 -3.80 3.88 4.02 -1.23 -5.01 117.16 118.67 3mx0 n TYR 65 Ca -0.17 -0.90 -0.27 0.00 -0.01 0.00 0.00 57.90 56.55 3mx0 n TYR 65 Cb 0.50 -0.17 -0.03 0.00 -0.02 0.00 0.00 39.34 39.62 3mx0 n TYR 65 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 176.86 174.64 3mx0 s GLU 66 N -2.85 3.49 0.24 -0.72 2.02 -1.26 -4.94 118.70 114.68 3mx0 s GLU 66 Ca 0.11 -0.43 0.20 0.00 0.02 0.00 0.00 54.97 54.86 3mx0 s GLU 66 Cb -0.01 -2.90 0.95 0.00 0.10 0.00 0.00 34.13 32.27 3mx0 s GLU 66 CO 0.07 0.46 1.60 -0.25 0.02 0.00 0.00 175.26 177.16 3mx0 n ASP 67 N -0.52 0.50 -3.71 -0.19 8.00 -1.26 -3.04 116.55 116.34 3mx0 n ASP 67 Ca -0.05 0.68 -0.42 0.00 0.71 0.00 0.00 54.79 55.71 3mx0 n ASP 67 Cb 0.54 -0.77 -0.00 0.00 -0.02 0.00 0.00 41.12 40.87 3mx0 n ASP 67 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3mx0 n SER 68 N -2.12 5.48 -3.95 -2.24 3.41 -1.26 -4.90 113.62 108.03 3mx0 n SER 68 Ca 0.00 -2.98 -0.14 0.00 -0.26 0.00 0.00 58.87 55.50 3mx0 n SER 68 Cb 0.11 -1.53 -0.13 0.00 -0.26 0.00 0.00 64.21 62.40 3mx0 n SER 68 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3mx0 s VAL 69 N 1.24 0.29 -1.27 -3.33 1.01 -1.17 -5.06 120.40 112.11 3mx0 s VAL 69 Ca 0.47 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.08 3mx0 s VAL 69 Cb 0.13 -0.29 0.08 0.00 0.00 0.00 0.00 36.38 36.30 3mx0 s VAL 69 CO -0.04 -0.07 0.76 -2.65 0.00 0.00 0.00 175.10 173.10 3mx0 n PRO 70 N 2.58 1.32 0.00 2.72 -0.02 -1.26 -4.95 135.00 135.39 3mx0 n PRO 70 Ca -0.16 -0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.02 3mx0 n PRO 70 Cb 0.58 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.65 3mx0 n PRO 70 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3mx0 n GLU 71 N -0.05 0.00 0.27 -0.52 1.02 -1.26 -4.35 120.64 115.74 3mx0 n GLU 71 Ca 0.03 0.00 0.18 0.00 -0.02 0.00 0.00 57.16 57.35 3mx0 n GLU 71 Cb 0.25 0.00 0.90 0.00 -0.02 0.00 0.00 31.44 32.57 3mx0 n GLU 71 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 3mx0 h ASP 72 N 0.00 0.00 -1.61 1.62 3.32 -2.07 0.45 116.42 118.14 3mx0 h ASP 72 Ca 0.00 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.38 3mx0 h ASP 72 Cb 0.00 0.00 -0.23 0.00 0.22 0.00 0.00 39.33 39.32 3mx0 h ASP 72 CO 0.00 0.00 0.89 0.29 -1.72 0.00 0.00 179.24 178.70 3mx0 n LYS 73 N -3.34 2.95 -3.83 3.56 5.02 -1.26 -4.85 118.16 116.41 3mx0 n LYS 73 Ca 0.00 -3.16 -0.30 0.00 -2.02 0.00 0.00 58.31 52.83 3mx0 n LYS 73 Cb 0.32 -2.26 -0.15 0.00 -0.02 0.00 0.00 35.03 32.92 3mx0 n LYS 73 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3mx0 s THR 74 N -3.69 1.17 -0.09 -0.18 2.01 0.15 -4.90 115.64 110.11 3mx0 s THR 74 Ca 0.54 -1.28 -0.29 0.00 0.31 0.00 0.00 61.69 60.97 3mx0 s THR 74 Cb 0.38 -1.69 -0.07 0.00 0.01 0.00 0.00 72.50 71.13 3mx0 s THR 74 CO -0.30 -0.39 2.04 -1.61 -0.69 0.00 0.00 174.62 173.67 3mx0 s GLU 75 N 1.52 3.71 -0.10 4.92 2.02 -1.26 -4.98 118.70 124.52 3mx0 s GLU 75 Ca 0.03 2.30 0.03 0.00 0.02 0.00 0.00 54.97 57.35 3mx0 s GLU 75 Cb -0.18 -4.24 0.01 0.00 0.10 0.00 0.00 34.13 29.82 3mx0 s GLU 75 CO -0.14 -1.45 -0.20 1.03 0.02 0.00 0.00 175.26 174.53 3mx0 s ARG 76 N 5.24 2.62 0.39 1.61 0.52 -1.26 -4.67 118.95 123.40 3mx0 s ARG 76 Ca 0.92 -0.73 0.04 0.00 -0.52 0.00 0.00 55.73 55.44 3mx0 s ARG 76 Cb -0.37 -2.05 -0.01 0.00 0.52 0.00 0.00 34.95 33.04 3mx0 s ARG 76 CO 0.38 0.10 0.13 0.66 0.02 0.00 0.00 175.30 176.58 3mx0 n TYR 77 N 3.72 0.20 -3.38 -0.53 4.01 -0.94 0.69 117.16 120.93 3mx0 n TYR 77 Ca -0.20 -2.46 -0.18 0.00 -0.16 0.00 0.00 57.90 54.90 3mx0 n TYR 77 Cb 0.52 -0.03 -0.08 0.00 -0.31 0.00 0.00 39.34 39.44 3mx0 n TYR 77 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 3mx0 s VAL 78 N -2.97 -0.31 -0.29 -0.72 1.01 -1.16 -2.91 120.40 113.05 3mx0 s VAL 78 Ca 0.18 -0.93 -0.28 0.00 0.00 0.00 0.00 61.98 60.95 3mx0 s VAL 78 Cb 0.01 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 3mx0 s VAL 78 CO 0.13 -0.59 2.02 -0.76 0.00 0.00 0.00 175.10 175.90 3mx0 s LEU 79 N 1.61 3.46 0.15 3.92 1.43 -1.17 -3.71 118.68 124.37 3mx0 s LEU 79 Ca 0.15 1.56 -0.06 0.00 -1.03 0.00 0.00 54.13 54.75 3mx0 s LEU 79 Cb -0.16 -3.47 -0.06 0.00 0.03 0.00 0.00 46.19 42.54 3mx0 s LEU 79 CO -0.10 -1.88 0.41 -0.31 0.23 0.00 0.00 176.35 174.70 3mx0 s TYR 80 N 7.79 3.48 -0.78 0.29 1.51 -0.57 -0.69 117.35 128.38 3mx0 s TYR 80 Ca 0.90 0.65 -0.02 0.00 -1.01 0.00 0.00 57.07 57.59 3mx0 s TYR 80 Cb -0.27 -2.08 0.19 0.00 -0.11 0.00 0.00 41.96 39.70 3mx0 s TYR 80 CO 0.34 0.42 0.63 1.41 -1.11 0.00 0.00 175.55 177.24 3mx0 s MET 81 N -2.56 2.96 0.00 -0.62 1.75 -0.77 -1.62 119.30 118.44 3mx0 s MET 81 Ca 0.41 -2.98 0.00 0.00 -1.25 0.00 0.00 55.69 51.87 3mx0 s MET 81 Cb -0.12 -3.85 0.00 0.00 2.84 0.00 0.00 34.83 33.70 3mx0 s MET 81 CO 0.23 -1.23 0.00 1.33 -0.65 0.00 0.00 175.02 174.70 3mx0 n VAL 82 N 2.78 0.00 -3.11 10.11 0.24 0.13 -4.05 118.33 124.43 3mx0 n VAL 82 Ca 0.16 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.26 3mx0 n VAL 82 Cb 0.37 -1.35 0.05 0.00 -1.47 0.00 0.00 33.84 31.45 3mx0 n VAL 82 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 3mx0 s ASN 83 N -1.00 5.11 0.19 -1.34 2.20 -1.26 -3.68 114.94 115.17 3mx0 s ASN 83 Ca 0.00 -0.84 -0.14 0.00 -0.94 0.00 0.00 52.86 50.94 3mx0 s ASN 83 Cb 0.00 0.22 0.19 0.00 -2.00 0.00 0.00 41.25 39.66 3mx0 s ASN 83 CO 0.00 -1.27 1.66 0.15 -2.94 0.00 0.00 177.10 174.71 3mx0 h PHE 84 N 0.27 -0.16 0.42 1.54 3.57 -1.95 0.54 116.94 121.17 3mx0 h PHE 84 Ca -0.31 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.22 3mx0 h PHE 84 Cb 1.29 0.15 -0.03 0.00 2.79 0.00 0.00 35.95 40.15 3mx0 h PHE 84 CO 0.48 -0.18 -0.49 -0.44 -2.23 0.00 0.00 178.31 175.44 3mx0 h ASP 85 N 0.05 -1.37 -0.15 0.41 3.45 -1.98 0.21 116.42 117.04 3mx0 h ASP 85 Ca 0.26 0.12 0.02 0.00 0.43 0.00 0.00 57.03 57.86 3mx0 h ASP 85 Cb 0.40 0.46 -0.02 0.00 -0.56 0.00 0.00 39.33 39.61 3mx0 h ASP 85 CO -0.49 -0.63 -0.00 1.23 -1.57 0.00 0.00 179.24 177.77 3mx0 h GLY 86 N -0.93 0.14 -0.29 2.75 0.00 -1.78 0.21 103.07 103.16 3mx0 h GLY 86 Ca -0.05 0.02 0.23 0.00 0.00 0.00 0.00 47.33 47.53 3mx0 h GLY 86 CO -0.10 -0.03 0.33 -1.82 0.00 0.00 0.00 176.54 174.92 3mx0 h TYR 87 N 0.05 0.54 -0.09 5.60 3.20 0.43 -1.51 116.97 125.19 3mx0 h TYR 87 Ca 0.07 0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.88 3mx0 h TYR 87 Cb 0.09 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.26 3mx0 h TYR 87 CO -0.15 -0.11 -0.35 0.77 -1.64 0.00 0.00 178.16 176.67 3mx0 h SER 88 N 0.32 0.46 -0.58 -2.11 0.02 0.63 -3.27 113.55 109.03 3mx0 h SER 88 Ca 0.56 -0.63 -0.34 0.00 -0.84 0.00 0.00 61.79 60.54 3mx0 h SER 88 Cb 1.09 -0.14 -0.17 0.00 0.14 0.00 0.00 62.40 63.32 3mx0 h SER 88 CO -0.57 1.02 0.43 0.00 -1.14 0.00 0.00 176.83 176.56 3mx0 n ALA 89 N -2.51 4.70 -1.65 3.77 0.00 0.61 -4.90 120.51 120.53 3mx0 n ALA 89 Ca -0.08 -1.80 0.00 0.00 0.00 0.00 0.00 53.44 51.56 3mx0 n ALA 89 Cb 0.52 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3mx0 n ALA 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mx0 s ASP 91 N -0.95 1.58 0.00 0.00 2.15 -0.96 -4.97 116.67 113.52 3mx0 s ASP 91 Ca 0.00 -0.08 0.08 0.00 0.43 0.00 0.00 52.55 52.98 3mx0 s ASP 91 Cb 0.00 -0.43 0.02 0.00 -0.30 0.00 0.00 42.92 42.21 3mx0 s ASP 91 CO 0.00 -0.20 0.63 0.00 -0.17 0.00 0.00 175.17 175.43 3mx0 n HIS 92 N 5.15 0.00 0.00 -5.34 1.44 -1.26 -4.71 115.22 110.50 3mx0 n HIS 92 Ca -0.07 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.64 3mx0 n HIS 92 Cb 0.50 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.61 3mx0 n HIS 92 CO 0.00 0.00 0.00 2.41 -2.81 0.00 0.00 176.34 175.94 3mx0 n THR 93 N -0.02 0.00 0.00 0.61 -1.04 -1.26 -4.74 114.28 107.83 3mx0 n THR 93 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 3mx0 n THR 93 Cb 0.18 -0.18 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3mx0 n THR 93 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3mx0 n SER 94 N -0.46 0.00 -4.11 8.00 2.88 -1.26 -3.64 113.62 115.02 3mx0 n SER 94 Ca 0.00 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.17 3mx0 n SER 94 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 3mx0 n SER 94 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 3mx0 s LYS 95 N 0.00 3.07 -0.23 -1.46 2.20 -1.26 -5.02 119.74 117.04 3mx0 s LYS 95 Ca 0.00 -3.02 -0.09 0.00 -0.36 0.00 0.00 55.97 52.50 3mx0 s LYS 95 Cb 0.00 -3.91 0.10 0.00 -1.51 0.00 0.00 37.83 32.51 3mx0 s LYS 95 CO 0.00 -1.24 0.51 0.20 -0.36 0.00 0.00 175.35 174.47 3mx0 s GLY 96 N 0.21 -0.49 0.59 5.54 0.00 -1.24 -4.06 107.32 107.87 3mx0 s GLY 96 Ca 0.24 1.85 -0.17 0.00 0.00 0.00 0.00 44.72 46.64 3mx0 s GLY 96 CO -0.09 2.47 1.09 -1.36 0.00 0.00 0.00 173.10 175.21 3mx0 s PHE 97 N 2.38 2.78 -0.44 1.90 2.99 -1.26 -4.88 117.98 121.45 3mx0 s PHE 97 Ca -0.05 1.54 -0.15 0.00 0.00 0.00 0.00 56.93 58.27 3mx0 s PHE 97 Cb -0.11 -3.14 0.05 0.00 0.00 0.00 0.00 43.02 39.82 3mx0 s PHE 97 CO -0.15 -1.39 0.34 0.21 -0.00 0.00 0.00 175.22 174.23 3mx0 s LYS 98 N -3.76 2.95 -0.04 0.44 2.36 -1.26 -1.85 119.74 118.57 3mx0 s LYS 98 Ca 0.68 -1.21 -0.01 0.00 -2.55 0.00 0.00 55.97 52.87 3mx0 s LYS 98 Cb -0.20 -4.03 -0.00 0.00 -1.05 0.00 0.00 37.83 32.55 3mx0 s LYS 98 CO 0.33 -0.89 -0.03 0.00 1.55 0.00 0.00 175.35 176.31 3mx0 h ARG 99 N 8.67 0.00 -5.06 4.03 2.47 -1.25 -3.49 114.38 119.75 3mx0 h ARG 99 Ca -0.27 0.00 -0.64 0.00 -1.26 0.00 0.00 59.98 57.81 3mx0 h ARG 99 Cb 1.11 0.00 -0.13 0.00 -1.65 0.00 0.00 29.97 29.30 3mx0 h ARG 99 CO 0.80 0.00 -0.50 -1.58 0.56 0.00 0.00 179.97 179.25 3mx0 s TRP 100 N -1.30 1.76 -0.23 3.04 0.51 -1.12 -5.02 118.94 116.57 3mx0 s TRP 100 Ca -0.02 -1.19 -0.06 0.00 -2.12 0.00 0.00 56.10 52.71 3mx0 s TRP 100 Cb 0.00 -1.35 0.12 0.00 -0.81 0.00 0.00 33.47 31.43 3mx0 s TRP 100 CO 0.04 -0.10 0.46 -2.00 -0.51 0.00 0.00 176.95 174.84 3mx0 s GLU 101 N -3.77 0.39 -0.98 4.98 2.12 -1.26 -3.03 118.70 117.14 3mx0 s GLU 101 Ca 0.11 0.96 -0.15 0.00 0.36 0.00 0.00 54.97 56.25 3mx0 s GLU 101 Cb 0.01 0.22 0.19 0.00 0.26 0.00 0.00 34.13 34.80 3mx0 s GLU 101 CO 0.08 -0.39 1.08 0.00 -0.54 0.00 0.00 175.26 175.49 3mx0 n ASN 103 N 5.00 1.83 -2.76 0.00 0.23 -1.26 -2.22 115.26 116.08 3mx0 n ASN 103 Ca 0.24 -2.36 -0.23 0.00 -0.53 0.00 0.00 54.58 51.70 3mx0 n ASN 103 Cb 0.46 -0.19 -0.01 0.00 -2.08 0.00 0.00 39.78 37.96 3mx0 n ASN 103 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 3mx0 n ARG 104 N -0.80 2.69 0.25 -3.83 5.12 -1.26 -4.89 116.66 113.94 3mx0 n ARG 104 Ca 0.06 -4.28 0.16 0.00 -1.93 0.00 0.00 57.85 51.86 3mx0 n ARG 104 Cb 0.46 -2.02 0.87 0.00 -1.16 0.00 0.00 32.46 30.61 3mx0 n ARG 104 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3mx0 h PRO 105 N 2.83 0.00 -3.26 5.56 0.13 -1.88 -2.53 132.00 132.86 3mx0 h PRO 105 Ca 0.16 0.00 -0.79 0.00 -0.87 0.00 0.00 66.00 64.50 3mx0 h PRO 105 Cb 0.83 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 31.67 3mx0 h PRO 105 CO 0.74 0.00 0.50 0.72 -0.23 0.00 0.00 178.00 179.73 3mx0 n HIS 106 N -3.84 4.03 -3.78 1.56 8.25 -1.26 -3.52 115.22 116.65 3mx0 n HIS 106 Ca -0.01 -3.45 -0.36 0.00 -0.26 0.00 0.00 57.72 53.65 3mx0 n HIS 106 Cb 0.20 -1.46 -0.10 0.00 1.12 0.00 0.00 29.99 29.75 3mx0 n HIS 106 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3mx0 s SER 107 N -0.09 5.82 0.00 0.41 1.04 -0.95 -5.05 113.70 114.88 3mx0 s SER 107 Ca 0.31 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.79 3mx0 s SER 107 Cb -0.03 -2.03 0.00 0.00 0.10 0.00 0.00 66.02 64.05 3mx0 s SER 107 CO -0.01 0.08 0.02 -2.65 0.98 0.00 0.00 173.24 171.66 3mx0 n PRO 108 N 4.16 0.00 0.00 4.02 -0.01 -1.26 -3.11 135.00 138.80 3mx0 n PRO 108 Ca -0.16 0.02 0.00 0.00 -0.01 0.00 0.00 63.50 63.35 3mx0 n PRO 108 Cb 0.52 -0.52 0.00 0.00 -0.01 0.00 0.00 33.50 33.49 3mx0 n PRO 108 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 175.50 175.58 3mx0 n ASN 109 N -0.04 0.14 0.00 2.55 3.02 -1.26 -4.83 115.26 114.84 3mx0 n ASN 109 Ca 0.00 -0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.39 3mx0 n ASN 109 Cb 0.00 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 3mx0 n ASN 109 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3mx0 n GLY 110 N 0.64 0.44 3.78 7.41 0.00 -1.18 -5.06 105.19 111.22 3mx0 n GLY 110 Ca 0.00 -2.14 -0.39 0.00 0.00 0.00 0.00 46.02 43.49 3mx0 n GLY 110 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3mx0 s PRO 111 N -0.15 4.37 -0.23 1.61 0.04 -1.26 -4.14 135.00 135.24 3mx0 s PRO 111 Ca 0.00 0.90 -0.39 0.00 0.04 0.00 0.00 61.00 61.55 3mx0 s PRO 111 Cb 0.00 -3.29 -0.15 0.00 0.04 0.00 0.00 34.50 31.10 3mx0 s PRO 111 CO 0.00 0.50 1.73 1.28 0.04 0.00 0.00 177.00 180.55 3mx0 n LEU 112 N 2.08 2.47 -4.41 -3.56 4.77 -1.26 -4.72 117.00 112.36 3mx0 n LEU 112 Ca -0.07 1.07 -0.32 0.00 -0.03 0.00 0.00 56.01 56.65 3mx0 n LEU 112 Cb 0.50 -1.17 -0.14 0.00 -2.33 0.00 0.00 43.42 40.28 3mx0 n LEU 112 CO 0.44 -0.43 -0.47 -0.75 -1.33 0.00 0.00 177.39 174.85 3mx0 s LYS 113 N 3.36 2.68 -0.59 3.23 2.20 -1.26 0.06 119.74 129.42 3mx0 s LYS 113 Ca 0.97 -0.74 0.06 0.00 -0.36 0.00 0.00 55.97 55.90 3mx0 s LYS 113 Cb -1.01 -2.38 0.23 0.00 -1.51 0.00 0.00 37.83 33.15 3mx0 s LYS 113 CO 0.62 0.50 0.61 1.19 -0.36 0.00 0.00 175.35 177.92 3mx0 n PHE 114 N 2.67 2.38 -2.30 4.03 3.01 -0.99 -4.94 117.46 121.32 3mx0 n PHE 114 Ca -0.17 -4.00 -0.38 0.00 1.01 0.00 0.00 57.45 53.91 3mx0 n PHE 114 Cb 0.52 -0.46 -0.02 0.00 -0.01 0.00 0.00 39.48 39.51 3mx0 n PHE 114 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3mx0 s SER 115 N -1.79 6.45 -0.01 4.37 0.15 -1.26 -3.84 113.70 117.76 3mx0 s SER 115 Ca 0.35 2.32 0.04 0.00 0.70 0.00 0.00 55.95 59.37 3mx0 s SER 115 Cb 0.10 -2.61 -0.01 0.00 -1.71 0.00 0.00 66.02 61.79 3mx0 s SER 115 CO -0.08 -0.72 -0.14 -0.70 1.20 0.00 0.00 173.24 172.79 3mx0 s GLU 116 N -2.40 1.13 -0.05 5.44 2.56 -0.54 -5.00 118.70 119.84 3mx0 s GLU 116 Ca 0.59 -0.53 0.01 0.00 0.00 0.00 0.00 54.97 55.04 3mx0 s GLU 116 Cb -0.30 -1.10 -0.03 0.00 2.00 0.00 0.00 34.13 34.70 3mx0 s GLU 116 CO 0.37 0.30 -0.07 0.21 -0.56 0.00 0.00 175.26 175.51 3mx0 s LYS 117 N -0.39 2.70 -1.08 4.30 2.20 -1.26 -1.48 119.74 124.73 3mx0 s LYS 117 Ca 0.05 -0.58 -0.04 0.00 -0.36 0.00 0.00 55.97 55.04 3mx0 s LYS 117 Cb -0.06 -2.57 0.31 0.00 -1.51 0.00 0.00 37.83 34.00 3mx0 s LYS 117 CO -0.00 0.65 1.55 1.19 -0.36 0.00 0.00 175.35 178.38 3mx0 n PHE 118 N 2.10 2.31 -3.94 4.03 3.72 0.29 -4.94 117.46 121.01 3mx0 n PHE 118 Ca -0.17 -2.57 -0.27 0.00 -0.05 0.00 0.00 57.45 54.39 3mx0 n PHE 118 Cb 0.53 -1.26 -0.03 0.00 -0.94 0.00 0.00 39.48 37.77 3mx0 n PHE 118 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 3mx0 s GLN 119 N -2.94 3.42 0.09 -1.08 -2.07 -1.26 0.14 119.66 115.96 3mx0 s GLN 119 Ca 0.32 -0.57 -0.18 0.00 -1.82 0.00 0.00 55.36 53.12 3mx0 s GLN 119 Cb 0.07 -2.97 -0.07 0.00 -1.09 0.00 0.00 33.01 28.95 3mx0 s GLN 119 CO 0.07 0.54 1.53 -0.07 -1.32 0.00 0.00 175.29 176.05 3mx0 h LEU 120 N 2.40 0.50 -8.83 2.60 3.38 -1.95 -0.25 115.31 113.16 3mx0 h LEU 120 Ca -0.48 -0.31 -0.68 0.00 0.09 0.00 0.00 57.88 56.50 3mx0 h LEU 120 Cb 1.19 -0.13 -0.24 0.00 0.09 0.00 0.00 40.66 41.56 3mx0 h LEU 120 CO 0.70 0.69 -0.87 0.12 0.09 0.00 0.00 178.44 179.17 3mx0 s PHE 121 N -4.97 2.28 -0.28 1.13 5.36 -1.26 -3.16 117.98 117.07 3mx0 s PHE 121 Ca -0.13 -0.39 -0.03 0.00 -0.96 0.00 0.00 56.93 55.41 3mx0 s PHE 121 Cb 0.08 -1.29 0.09 0.00 -0.34 0.00 0.00 43.02 41.56 3mx0 s PHE 121 CO 0.76 0.25 0.11 0.99 -1.46 0.00 0.00 175.22 175.86 3mx0 s THR 122 N -0.96 0.35 -1.85 0.12 2.01 -1.26 -4.94 115.64 109.12 3mx0 s THR 122 Ca 0.13 -0.96 0.00 0.00 0.31 0.00 0.00 61.69 61.16 3mx0 s THR 122 Cb -0.10 -1.23 0.00 0.00 0.01 0.00 0.00 72.50 71.18 3mx0 s THR 122 CO 0.04 -0.64 0.47 -0.81 -0.69 0.00 0.00 174.62 172.99 3mx0 n PRO 123 N 5.08 0.00 -3.48 4.92 -0.04 -1.26 -4.63 135.00 135.59 3mx0 n PRO 123 Ca -0.05 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.05 3mx0 n PRO 123 Cb 0.43 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.32 3mx0 n PRO 123 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 3mx0 s PHE 124 N -1.94 3.46 -1.73 0.54 0.40 -1.26 -4.90 117.98 112.56 3mx0 s PHE 124 Ca 0.00 0.66 0.13 0.00 -0.60 0.00 0.00 56.93 57.11 3mx0 s PHE 124 Cb 0.00 -2.40 0.71 0.00 0.51 0.00 0.00 43.02 41.85 3mx0 s PHE 124 CO 0.00 0.21 1.26 0.43 0.70 0.00 0.00 175.22 177.82 3mx0 n SER 125 N 3.66 0.00 -0.09 1.36 7.64 -1.26 -3.30 113.62 121.63 3mx0 n SER 125 Ca -0.11 -0.16 -0.13 0.00 1.01 0.00 0.00 58.87 59.48 3mx0 n SER 125 Cb 0.52 -0.14 -0.08 0.00 -1.01 0.00 0.00 64.21 63.50 3mx0 n SER 125 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3mx0 n LEU 126 N -1.14 2.84 0.00 -3.43 4.77 -1.26 -5.06 117.00 113.72 3mx0 n LEU 126 Ca 0.08 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 3mx0 n LEU 126 Cb 0.07 -0.61 0.00 0.00 -2.33 0.00 0.00 43.42 40.55 3mx0 n LEU 126 CO 0.08 0.76 0.00 0.61 -1.33 0.00 0.00 177.39 177.52 3mx0 n GLY 127 N 2.58 -0.71 3.06 -0.72 0.00 -1.21 -5.11 105.19 103.07 3mx0 n GLY 127 Ca -0.32 -1.65 -0.12 0.00 0.00 0.00 0.00 46.02 43.93 3mx0 n GLY 127 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3mx0 s PHE 128 N -0.04 0.63 0.30 1.61 5.36 -1.26 -5.00 117.98 119.57 3mx0 s PHE 128 Ca 0.00 -0.53 0.01 0.00 -0.96 0.00 0.00 56.93 55.45 3mx0 s PHE 128 Cb 0.00 -0.38 -0.03 0.00 -0.34 0.00 0.00 43.02 42.26 3mx0 s PHE 128 CO 0.00 -0.10 0.48 -1.21 -1.46 0.00 0.00 175.22 172.92 3mx0 s GLU 129 N -1.72 3.49 -0.04 10.12 2.02 -1.26 -4.72 118.70 126.59 3mx0 s GLU 129 Ca -0.09 -0.42 0.00 0.00 0.02 0.00 0.00 54.97 54.48 3mx0 s GLU 129 Cb -0.09 -2.74 0.02 0.00 0.10 0.00 0.00 34.13 31.42 3mx0 s GLU 129 CO -0.00 0.26 -0.02 -0.06 0.02 0.00 0.00 175.26 175.46 3mx0 s PHE 130 N -2.16 0.52 -0.15 1.61 2.99 -0.11 -4.98 117.98 115.70 3mx0 s PHE 130 Ca 0.38 -0.10 -0.09 0.00 0.00 0.00 0.00 56.93 57.13 3mx0 s PHE 130 Cb -0.10 -0.56 -0.05 0.00 0.00 0.00 0.00 43.02 42.32 3mx0 s PHE 130 CO 0.33 -0.18 0.15 1.03 -0.00 0.00 0.00 175.22 176.55 3mx0 s ARG 131 N 1.11 3.83 0.53 0.44 0.52 -1.26 -4.25 118.95 119.88 3mx0 s ARG 131 Ca -0.08 -0.14 -0.21 0.00 -0.52 0.00 0.00 55.73 54.77 3mx0 s ARG 131 Cb -0.14 -3.31 -0.05 0.00 0.52 0.00 0.00 34.95 31.97 3mx0 s ARG 131 CO -0.01 0.53 1.22 -2.14 0.02 0.00 0.00 175.30 174.91 3mx0 s PRO 132 N -0.33 3.33 -1.60 3.54 0.02 -1.26 -2.40 135.00 136.30 3mx0 s PRO 132 Ca 0.12 1.87 -0.15 0.00 0.02 0.00 0.00 61.00 62.86 3mx0 s PRO 132 Cb -0.12 -2.17 0.11 0.00 0.02 0.00 0.00 34.50 32.34 3mx0 s PRO 132 CO 0.02 -0.93 0.90 0.41 -0.33 0.00 0.00 177.00 177.07 3mx0 n GLY 133 N 0.49 -0.47 3.78 0.52 0.00 -0.27 -4.73 105.19 104.51 3mx0 n GLY 133 Ca 0.10 0.17 -0.28 0.00 0.00 0.00 0.00 46.02 46.02 3mx0 n GLY 133 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mx0 s ARG 134 N -6.73 2.21 -0.03 1.61 3.00 -1.01 -4.94 118.95 113.05 3mx0 s ARG 134 Ca 0.68 -2.08 0.02 0.00 0.00 0.00 0.00 55.73 54.35 3mx0 s ARG 134 Cb -0.35 -1.86 0.01 0.00 0.00 0.00 0.00 34.95 32.75 3mx0 s ARG 134 CO 0.87 -0.33 -0.06 -1.83 0.00 0.00 0.00 175.30 173.95 3mx0 s GLU 135 N -3.99 0.81 0.17 3.54 -1.05 -1.26 -1.67 118.70 115.25 3mx0 s GLU 135 Ca 0.28 -0.19 0.10 0.00 -0.15 0.00 0.00 54.97 55.02 3mx0 s GLU 135 Cb 0.02 -0.79 -0.04 0.00 -0.44 0.00 0.00 34.13 32.88 3mx0 s GLU 135 CO 0.16 0.02 -0.22 0.71 0.95 0.00 0.00 175.26 176.88 3mx0 s TYR 136 N 0.50 2.06 -0.10 4.83 1.51 -1.05 -4.92 117.35 120.17 3mx0 s TYR 136 Ca -0.07 -0.41 0.01 0.00 -1.01 0.00 0.00 57.07 55.59 3mx0 s TYR 136 Cb -0.11 -1.04 0.02 0.00 -0.11 0.00 0.00 41.96 40.72 3mx0 s TYR 136 CO 0.00 0.39 -0.10 -0.06 -1.11 0.00 0.00 175.55 174.68 3mx0 s PHE 137 N -1.70 1.53 0.02 2.71 0.40 -1.24 -1.33 117.98 118.36 3mx0 s PHE 137 Ca 0.17 -0.71 0.05 0.00 -0.60 0.00 0.00 56.93 55.84 3mx0 s PHE 137 Cb -0.08 -1.21 -0.03 0.00 0.51 0.00 0.00 43.02 42.21 3mx0 s PHE 137 CO 0.08 -0.45 -0.14 0.71 0.70 0.00 0.00 175.22 176.12 3mx0 s TYR 138 N 1.35 2.69 0.29 0.36 1.51 0.45 0.17 117.35 124.15 3mx0 s TYR 138 Ca -0.01 -0.17 0.02 0.00 -1.01 0.00 0.00 57.07 55.90 3mx0 s TYR 138 Cb -0.14 -1.53 -0.03 0.00 -0.11 0.00 0.00 41.96 40.15 3mx0 s TYR 138 CO -0.05 0.28 0.27 0.96 -1.11 0.00 0.00 175.55 175.91 3mx0 s ILE 139 N -0.92 0.00 -0.24 2.71 -4.36 -0.64 -0.27 121.20 117.48 3mx0 s ILE 139 Ca 0.15 -1.91 -0.03 0.00 -0.26 0.00 0.00 60.65 58.60 3mx0 s ILE 139 Cb -0.11 -2.51 0.13 0.00 1.25 0.00 0.00 42.46 41.23 3mx0 s ILE 139 CO 0.05 0.00 0.39 -0.94 0.24 0.00 0.00 174.94 174.68 3mx0 s SER 140 N -3.27 0.14 -0.26 4.36 1.04 -1.26 -1.52 113.70 112.93 3mx0 s SER 140 Ca 0.38 0.29 -0.26 0.00 0.48 0.00 0.00 55.95 56.84 3mx0 s SER 140 Cb 0.03 1.18 0.00 0.00 0.10 0.00 0.00 66.02 67.33 3mx0 s SER 140 CO 0.21 -0.30 0.89 -0.55 0.98 0.00 0.00 173.24 174.48 3mx0 s SER 141 N 2.56 6.86 0.36 7.02 0.15 -1.24 -4.16 113.70 125.26 3mx0 s SER 141 Ca 0.13 1.03 -0.27 0.00 0.70 0.00 0.00 55.95 57.54 3mx0 s SER 141 Cb -0.15 -2.46 -0.12 0.00 -1.71 0.00 0.00 66.02 61.58 3mx0 s SER 141 CO -0.16 -0.61 1.22 0.00 1.20 0.00 0.00 173.24 174.89 3mx0 n ALA 142 N 6.21 1.01 -0.05 5.45 0.00 -1.26 -2.97 120.51 128.89 3mx0 n ALA 142 Ca 0.07 0.33 -0.14 0.00 0.00 0.00 0.00 53.44 53.70 3mx0 n ALA 142 Cb 0.47 -2.21 -0.07 0.00 0.00 0.00 0.00 19.45 17.64 3mx0 n ALA 142 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3mx0 h ILE 143 N 2.27 1.35 0.00 0.00 2.04 -0.00 -2.48 117.51 120.68 3mx0 h ILE 143 Ca -0.46 -1.56 0.00 0.00 1.00 0.00 0.00 64.86 63.85 3mx0 h ILE 143 Cb 1.30 1.94 0.00 0.00 -0.74 0.00 0.00 36.82 39.32 3mx0 h ILE 143 CO 0.61 0.47 0.00 -2.65 0.00 0.00 0.00 178.15 176.58 3mx0 n PRO 144 N -4.36 0.10 -3.22 2.37 -0.02 -1.26 -4.88 135.00 123.73 3mx0 n PRO 144 Ca -0.06 0.20 -0.07 0.00 -2.02 0.00 0.00 63.50 61.56 3mx0 n PRO 144 Cb 0.48 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.46 3mx0 n PRO 144 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 3mx0 n ASP 145 N -1.26 -7.12 -4.34 2.55 -0.08 -0.94 -5.04 116.55 100.33 3mx0 n ASP 145 Ca 0.03 -0.24 -0.31 0.00 -1.51 0.00 0.00 54.79 52.76 3mx0 n ASP 145 Cb 0.05 -4.45 -0.15 0.00 2.34 0.00 0.00 41.12 38.91 3mx0 n ASP 145 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 3mx0 s ASN 146 N -2.95 3.28 -1.22 1.67 0.01 -1.26 -4.73 114.94 109.74 3mx0 s ASN 146 Ca 0.02 -0.42 -0.35 0.00 -0.71 0.00 0.00 52.86 51.40 3mx0 s ASN 146 Cb -0.00 -0.58 0.05 0.00 0.41 0.00 0.00 41.25 41.13 3mx0 s ASN 146 CO 0.79 0.31 0.68 0.61 -1.51 0.00 0.00 177.10 177.98 3mx0 n GLY 147 N 2.55 -0.84 2.83 0.66 0.00 -1.26 -4.70 105.19 104.43 3mx0 n GLY 147 Ca -0.17 0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3mx0 n GLY 147 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3mx0 n ARG 148 N -5.08 1.74 0.11 1.61 0.63 -1.26 -3.41 116.66 110.99 3mx0 n ARG 148 Ca -0.11 -1.56 0.00 0.00 -0.92 0.00 0.00 57.85 55.26 3mx0 n ARG 148 Cb 0.56 -2.62 0.00 0.00 0.45 0.00 0.00 32.46 30.86 3mx0 n ARG 148 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 3mx0 n ARG 149 N 5.39 0.00 -3.00 -0.14 1.85 -1.26 -5.07 116.66 114.43 3mx0 n ARG 149 Ca 0.44 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.89 3mx0 n ARG 149 Cb 0.24 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.60 3mx0 n ARG 149 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 3mx0 s SER 150 N -3.62 6.92 0.07 2.89 1.04 -1.22 -4.83 113.70 114.95 3mx0 s SER 150 Ca 0.00 1.11 0.02 0.00 0.48 0.00 0.00 55.95 57.57 3mx0 s SER 150 Cb 0.00 -2.41 -0.03 0.00 0.10 0.00 0.00 66.02 63.67 3mx0 s SER 150 CO 0.00 -0.25 -0.08 0.00 0.98 0.00 0.00 173.24 173.89 3mx0 n LEU 152 N 0.86 0.00 0.00 0.00 4.77 -1.26 -4.90 117.00 116.47 3mx0 n LEU 152 Ca -0.18 -0.67 0.00 0.00 -0.03 0.00 0.00 56.01 55.13 3mx0 n LEU 152 Cb 0.57 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 40.93 3mx0 n LEU 152 CO 0.24 -2.44 0.00 2.29 -1.33 0.00 0.00 177.39 176.16 3mx0 n LYS 153 N -4.75 0.00 -4.83 3.23 2.85 -1.26 -4.02 118.16 109.38 3mx0 n LYS 153 Ca 0.10 0.00 -0.25 0.00 -1.05 0.00 0.00 58.31 57.11 3mx0 n LYS 153 Cb 0.44 0.00 -0.15 0.00 -0.65 0.00 0.00 35.03 34.67 3mx0 n LYS 153 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 177.40 176.18 3mx0 s LEU 154 N 0.00 2.01 -0.06 -5.58 2.96 0.63 -4.08 118.68 114.57 3mx0 s LEU 154 Ca 0.00 -0.32 0.04 0.00 -0.22 0.00 0.00 54.13 53.63 3mx0 s LEU 154 Cb 0.00 -0.91 -0.02 0.00 0.50 0.00 0.00 46.19 45.76 3mx0 s LEU 154 CO 0.00 0.20 -0.18 -0.75 -1.32 0.00 0.00 176.35 174.30 3mx0 s LYS 155 N -0.33 2.61 -0.27 1.98 2.20 -1.02 -0.41 119.74 124.49 3mx0 s LYS 155 Ca 0.05 -0.77 0.01 0.00 -0.36 0.00 0.00 55.97 54.90 3mx0 s LYS 155 Cb -0.07 -2.32 0.07 0.00 -1.51 0.00 0.00 37.83 34.00 3mx0 s LYS 155 CO -0.00 0.49 -0.01 0.08 -0.36 0.00 0.00 175.35 175.55 3mx0 s VAL 156 N -0.40 1.59 -0.12 4.02 1.01 -0.44 -2.64 120.40 123.41 3mx0 s VAL 156 Ca 0.04 -1.48 -0.29 0.00 0.00 0.00 0.00 61.98 60.24 3mx0 s VAL 156 Cb -0.12 -1.96 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 3mx0 s VAL 156 CO 0.02 -0.29 1.47 0.12 0.00 0.00 0.00 175.10 176.42 3mx0 s PHE 157 N 1.33 2.38 -0.17 5.22 5.36 -1.11 -2.54 117.98 128.44 3mx0 s PHE 157 Ca -0.00 0.59 -0.22 0.00 -0.96 0.00 0.00 56.93 56.34 3mx0 s PHE 157 Cb -0.19 -3.75 -0.02 0.00 -0.34 0.00 0.00 43.02 38.72 3mx0 s PHE 157 CO -0.10 -2.80 0.68 0.08 -1.46 0.00 0.00 175.22 171.62 3mx0 s VAL 158 N 3.92 5.00 -0.45 3.12 1.01 -0.67 0.89 120.40 133.23 3mx0 s VAL 158 Ca 0.65 1.30 -0.23 0.00 0.00 0.00 0.00 61.98 63.70 3mx0 s VAL 158 Cb -0.27 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.14 3mx0 s VAL 158 CO 0.23 0.12 0.79 -0.13 0.00 0.00 0.00 175.10 176.11 3mx0 s ARG 159 N 1.79 3.44 0.23 2.72 0.52 0.45 -1.11 118.95 126.98 3mx0 s ARG 159 Ca 0.32 -0.06 -0.07 0.00 -0.52 0.00 0.00 55.73 55.39 3mx0 s ARG 159 Cb -0.16 -3.93 -0.06 0.00 0.52 0.00 0.00 34.95 31.32 3mx0 s ARG 159 CO 0.12 -1.11 -0.10 -2.30 0.02 0.00 0.00 175.30 171.93 3mx0 n PRO 160 N 6.72 0.00 -2.72 3.54 -0.01 -1.26 -4.42 135.00 136.86 3mx0 n PRO 160 Ca 0.03 0.00 -0.42 0.00 -0.01 0.00 0.00 63.50 63.09 3mx0 n PRO 160 Cb 0.48 -0.38 -0.03 0.00 -0.01 0.00 0.00 33.50 33.56 3mx0 n PRO 160 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 175.50 176.48 3mx0 s THR 161 N -0.77 4.83 0.00 3.45 2.01 -1.26 -1.25 115.64 122.66 3mx0 s THR 161 Ca 0.21 2.01 0.00 0.00 0.31 0.00 0.00 61.69 64.21 3mx0 s THR 161 Cb -0.17 -4.30 0.00 0.00 0.01 0.00 0.00 72.50 68.05 3mx0 s THR 161 CO 0.27 0.08 0.00 -0.46 -0.69 0.00 0.00 174.62 173.82 3mx0 n ASN 162 N 4.52 0.00 -2.13 3.53 6.94 -1.26 -4.80 115.26 122.06 3mx0 n ASN 162 Ca 0.07 0.00 -0.21 0.00 -0.02 0.00 0.00 54.58 54.42 3mx0 n ASN 162 Cb 0.50 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.91 3mx0 n ASN 162 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 3mx0 n SER 163 N 0.55 6.45 -1.31 0.53 7.64 -0.38 -3.86 113.62 123.24 3mx0 n SER 163 Ca 0.00 -3.11 -0.04 0.00 1.01 0.00 0.00 58.87 56.73 3mx0 n SER 163 Cb 0.00 -1.14 -0.03 0.00 -1.01 0.00 0.00 64.21 62.03 3mx0 n SER 163 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03