#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vba s LEU 2 N 0.00 4.36 -0.08 0.99 2.96 -1.26 -4.95 118.68 120.71 1vba s LEU 2 Ca 0.00 2.41 -0.29 0.00 -0.22 0.00 0.00 54.13 56.03 1vba s LEU 2 Cb 0.00 -3.53 -0.07 0.00 0.50 0.00 0.00 46.19 43.09 1vba s LEU 2 CO 0.00 -0.98 2.05 -2.84 -1.32 0.00 0.00 176.35 173.25 1vba s PRO 3 N 4.22 3.72 0.22 0.98 0.02 -1.26 -4.99 135.00 137.92 1vba s PRO 3 Ca 0.80 2.33 0.11 0.00 0.02 0.00 0.00 61.00 64.25 1vba s PRO 3 Cb -0.37 -4.24 -0.05 0.00 0.02 0.00 0.00 34.50 29.86 1vba s PRO 3 CO 0.34 -1.43 -0.20 0.14 -0.33 0.00 0.00 177.00 175.52 1vba s VAL 4 N 6.03 2.22 -0.12 3.83 -7.23 -1.26 -5.14 120.40 118.73 1vba s VAL 4 Ca 0.92 -2.19 -0.00 0.00 -1.81 0.00 0.00 61.98 58.90 1vba s VAL 4 Cb -0.38 -2.13 0.03 0.00 0.56 0.00 0.00 36.38 34.46 1vba s VAL 4 CO 0.38 -0.33 -0.07 -0.22 -0.31 0.00 0.00 175.10 174.55 1vba s LEU 5 N -3.10 1.24 -0.07 1.32 0.20 -1.26 -5.11 118.68 111.90 1vba s LEU 5 Ca 0.24 -0.35 -0.30 0.00 0.69 0.00 0.00 54.13 54.41 1vba s LEU 5 Cb -0.05 -0.85 -0.05 0.00 -0.43 0.00 0.00 46.19 44.81 1vba s LEU 5 CO 0.11 -0.13 1.55 0.20 -0.29 0.00 0.00 176.35 177.79 1vba s ASN 6 N 1.70 6.74 0.50 3.68 0.01 -1.26 -5.03 114.94 121.28 1vba s ASN 6 Ca 0.04 2.12 -0.04 0.00 -0.71 0.00 0.00 52.86 54.28 1vba s ASN 6 Cb -0.13 -2.54 -0.01 0.00 0.41 0.00 0.00 41.25 38.98 1vba s ASN 6 CO -0.08 -0.87 0.78 0.42 -1.51 0.00 0.00 177.10 175.84 1vba s THR 7 N 3.70 4.26 0.59 1.60 -4.23 -1.26 -5.02 115.64 115.27 1vba s THR 7 Ca 0.69 -0.10 -0.18 0.00 -1.18 0.00 0.00 61.69 60.92 1vba s THR 7 Cb -0.31 -3.62 -0.08 0.00 1.34 0.00 0.00 72.50 69.83 1vba s THR 7 CO 0.26 -0.56 0.61 -2.65 -0.54 0.00 0.00 174.62 171.73 1vba n PRO 8 N -2.29 0.56 0.00 3.99 -0.02 -1.26 -2.39 135.00 133.59 1vba n PRO 8 Ca 0.02 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.72 1vba n PRO 8 Cb 0.57 -1.80 0.00 0.00 -0.02 0.00 0.00 33.50 32.25 1vba n PRO 8 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1vba n GLY 9 N 1.69 3.15 3.63 -1.23 0.00 -1.26 -5.04 105.19 106.13 1vba n GLY 9 Ca 0.12 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.62 1vba n GLY 9 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1vba n SER 10 N 0.11 2.07 -0.24 1.61 7.64 -1.01 -2.13 113.62 121.68 1vba n SER 10 Ca 0.00 1.10 -0.03 0.00 1.01 0.00 0.00 58.87 60.95 1vba n SER 10 Cb 0.00 -1.22 -0.01 0.00 -1.01 0.00 0.00 64.21 61.96 1vba n SER 10 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1vba n ASN 11 N 3.37 -4.49 -4.92 6.43 3.02 -1.26 -5.02 115.26 112.38 1vba n ASN 11 Ca 0.20 0.08 -0.26 0.00 -0.03 0.00 0.00 54.58 54.56 1vba n ASN 11 Cb 0.20 -2.26 0.06 0.00 -0.61 0.00 0.00 39.78 37.16 1vba n ASN 11 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vba s GLN 12 N -1.57 2.44 -0.24 3.52 -2.07 -0.91 -5.07 119.66 115.77 1vba s GLN 12 Ca 0.00 -0.11 0.01 0.00 -1.82 0.00 0.00 55.36 53.44 1vba s GLN 12 Cb 0.00 -2.18 0.06 0.00 -1.09 0.00 0.00 33.01 29.81 1vba s GLN 12 CO 0.00 -1.09 -0.04 -0.47 -1.32 0.00 0.00 175.29 172.37 1vba s TYR 13 N -3.20 2.36 -0.40 9.60 5.04 -1.26 -5.10 117.35 124.40 1vba s TYR 13 Ca 0.58 -1.76 -0.15 0.00 -2.44 0.00 0.00 57.07 53.30 1vba s TYR 13 Cb -0.11 -1.60 0.01 0.00 0.35 0.00 0.00 41.96 40.61 1vba s TYR 13 CO 0.46 -0.78 0.33 -1.17 -1.34 0.00 0.00 175.55 173.05 1vba s LEU 14 N 1.41 4.90 0.43 6.97 2.96 -1.26 -4.97 118.68 129.12 1vba s LEU 14 Ca -0.05 -0.71 0.28 0.00 -0.22 0.00 0.00 54.13 53.43 1vba s LEU 14 Cb -0.19 -2.23 1.39 0.00 0.50 0.00 0.00 46.19 45.67 1vba s LEU 14 CO -0.07 -0.44 1.63 0.74 -1.32 0.00 0.00 176.35 176.90 1vba h THR 15 N 5.62 0.15 -0.08 3.68 2.02 -2.08 0.12 112.91 122.34 1vba h THR 15 Ca -0.28 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 66.86 1vba h THR 15 Cb 1.13 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1vba h THR 15 CO 0.73 0.02 0.00 -0.24 0.37 0.00 0.00 175.52 176.40 1vba n SER 16 N -4.73 0.62 -4.88 4.18 2.88 -1.26 -4.98 113.62 105.45 1vba n SER 16 Ca 0.36 -1.71 -0.25 0.00 -1.33 0.00 0.00 58.87 55.95 1vba n SER 16 Cb 1.37 -0.06 0.07 0.00 -0.75 0.00 0.00 64.21 64.85 1vba n SER 16 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 1vba s ASP 17 N -1.35 4.77 -0.46 -3.46 -4.77 0.41 -5.08 116.67 106.73 1vba s ASP 17 Ca 0.21 0.31 0.04 0.00 -3.30 0.00 0.00 52.55 49.81 1vba s ASP 17 Cb 0.11 -0.95 0.16 0.00 -1.09 0.00 0.00 42.92 41.15 1vba s ASP 17 CO 0.16 -1.60 0.35 0.21 0.70 0.00 0.00 175.17 174.99 1vba s ASN 18 N -4.54 2.35 0.16 2.11 2.47 -1.26 -5.10 114.94 111.13 1vba s ASN 18 Ca 0.61 -3.10 0.08 0.00 0.42 0.00 0.00 52.86 50.87 1vba s ASN 18 Cb -0.10 -0.69 -0.04 0.00 -1.45 0.00 0.00 41.25 38.97 1vba s ASN 18 CO 0.44 -0.17 -0.17 -1.00 -3.72 0.00 0.00 177.10 172.48 1vba s HIS 19 N -0.11 1.72 0.71 0.43 3.76 -1.26 -5.14 115.29 115.41 1vba s HIS 19 Ca 0.29 -0.49 -0.13 0.00 -0.15 0.00 0.00 55.06 54.57 1vba s HIS 19 Cb -0.02 -0.86 0.03 0.00 1.11 0.00 0.00 32.58 32.83 1vba s HIS 19 CO -0.16 0.29 1.11 -0.65 -0.85 0.00 0.00 174.74 174.48 1vba s GLN 20 N -2.80 2.52 0.10 1.40 -0.21 -1.26 -5.09 119.66 114.32 1vba s GLN 20 Ca 0.14 1.33 -0.20 0.00 0.02 0.00 0.00 55.36 56.65 1vba s GLN 20 Cb -0.05 -1.92 0.05 0.00 1.00 0.00 0.00 33.01 32.09 1vba s GLN 20 CO 0.06 -1.46 0.49 -1.54 -2.12 0.00 0.00 175.29 170.72 1vba s SER 21 N -2.87 -0.39 0.43 5.90 1.04 -1.26 -5.15 113.70 111.40 1vba s SER 21 Ca 0.65 -0.04 -0.25 0.00 0.48 0.00 0.00 55.95 56.79 1vba s SER 21 Cb -0.20 0.50 -0.10 0.00 0.10 0.00 0.00 66.02 66.33 1vba s SER 21 CO 0.48 -0.81 1.23 -0.81 0.98 0.00 0.00 173.24 174.30 1vba n PRO 22 N 0.03 1.81 -3.06 4.02 -0.04 -1.26 -4.97 135.00 131.53 1vba n PRO 22 Ca -0.17 0.65 -0.41 0.00 -0.04 0.00 0.00 63.50 63.52 1vba n PRO 22 Cb 0.62 -2.33 -0.06 0.00 -0.04 0.00 0.00 33.50 31.69 1vba n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1vba n ALA 24 N 5.90 1.78 -3.64 0.00 0.00 -1.26 -3.89 120.51 119.39 1vba n ALA 24 Ca 0.00 0.03 -0.28 0.00 0.00 0.00 0.00 53.44 53.20 1vba n ALA 24 Cb 0.49 -1.37 -0.11 0.00 0.00 0.00 0.00 19.45 18.45 1vba n ALA 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1vba s ILE 25 N -3.21 1.55 0.68 0.00 1.01 -1.26 -5.12 121.20 114.86 1vba s ILE 25 Ca 0.06 -3.35 -0.17 0.00 0.00 0.00 0.00 60.65 57.19 1vba s ILE 25 Cb 0.10 -2.04 0.01 0.00 0.01 0.00 0.00 42.46 40.54 1vba s ILE 25 CO 0.40 -1.10 1.25 -2.16 0.00 0.00 0.00 174.94 173.33 1vba s PRO 26 N -0.58 2.39 -1.15 2.79 0.04 -1.25 -3.50 135.00 133.74 1vba s PRO 26 Ca 0.28 1.92 0.00 0.00 0.04 0.00 0.00 61.00 63.24 1vba s PRO 26 Cb -0.02 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1vba s PRO 26 CO -0.17 -1.68 0.00 0.39 0.04 0.00 0.00 177.00 175.58 1vba n GLU 27 N -2.24 -1.29 -1.72 4.56 -0.58 -1.26 -4.92 120.64 113.20 1vba n GLU 27 Ca 0.15 0.65 -0.43 0.00 -0.42 0.00 0.00 57.16 57.11 1vba n GLU 27 Cb 0.49 -4.83 -0.02 0.00 -0.57 0.00 0.00 31.44 26.50 1vba n GLU 27 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1vba n PHE 28 N -1.72 2.66 -2.59 -0.32 7.35 -1.23 -4.93 117.46 116.69 1vba n PHE 28 Ca -0.11 0.23 -0.41 0.00 -0.76 0.00 0.00 57.45 56.39 1vba n PHE 28 Cb 0.37 -2.59 -0.03 0.00 0.35 0.00 0.00 39.48 37.58 1vba n PHE 28 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 1vba s ASP 29 N 0.69 6.32 0.09 -2.13 2.15 -1.26 -5.00 116.67 117.54 1vba s ASP 29 Ca 0.69 -0.97 -0.31 0.00 0.43 0.00 0.00 52.55 52.39 1vba s ASP 29 Cb -0.54 -2.55 -0.08 0.00 -0.30 0.00 0.00 42.92 39.45 1vba s ASP 29 CO 0.43 -1.65 1.51 -0.69 -0.17 0.00 0.00 175.17 174.61 1vba s VAL 30 N 5.20 3.14 0.08 1.11 1.01 -1.26 -4.97 120.40 124.70 1vba s VAL 30 Ca 0.39 0.72 -0.32 0.00 0.00 0.00 0.00 61.98 62.77 1vba s VAL 30 Cb -0.05 -3.46 -0.11 0.00 0.00 0.00 0.00 36.38 32.76 1vba s VAL 30 CO 0.03 0.03 1.86 0.41 0.00 0.00 0.00 175.10 177.43 1vba n THR 31 N 4.31 0.46 -1.30 3.92 -1.04 -1.26 -4.97 114.28 114.40 1vba n THR 31 Ca 0.14 -0.08 -0.33 0.00 -2.04 0.00 0.00 64.05 61.73 1vba n THR 31 Cb 0.41 -2.09 0.10 0.00 -1.82 0.00 0.00 70.33 66.93 1vba n THR 31 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1vba s PRO 32 N 3.19 2.01 0.65 -2.82 0.05 -1.26 -5.02 135.00 131.79 1vba s PRO 32 Ca 0.85 1.58 -0.16 0.00 0.05 0.00 0.00 61.00 63.32 1vba s PRO 32 Cb -0.51 -1.84 -0.00 0.00 0.05 0.00 0.00 34.50 32.20 1vba s PRO 32 CO 0.40 -1.90 1.15 -1.25 0.05 0.00 0.00 177.00 175.46 1vba s PRO 33 N -4.23 2.73 0.24 0.56 0.04 -1.26 -5.09 135.00 128.00 1vba s PRO 33 Ca 0.70 1.56 0.11 0.00 0.04 0.00 0.00 61.00 63.41 1vba s PRO 33 Cb -0.25 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 1vba s PRO 33 CO 0.49 -1.34 -0.19 0.96 0.04 0.00 0.00 177.00 176.96 1vba s ILE 34 N -2.08 2.24 -1.12 0.56 -4.36 -1.26 -5.06 121.20 110.11 1vba s ILE 34 Ca 0.71 -2.29 -0.22 0.00 -0.26 0.00 0.00 60.65 58.59 1vba s ILE 34 Cb -0.24 -2.19 0.01 0.00 1.25 0.00 0.00 42.46 41.29 1vba s ILE 34 CO 0.39 -0.41 1.73 -0.62 0.24 0.00 0.00 174.94 176.28 1vba s ASP 35 N -3.31 6.05 0.10 4.36 2.15 -1.26 -4.96 116.67 119.79 1vba s ASP 35 Ca 0.26 -1.67 -0.30 0.00 0.43 0.00 0.00 52.55 51.27 1vba s ASP 35 Cb -0.04 -2.58 -0.07 0.00 -0.30 0.00 0.00 42.92 39.94 1vba s ASP 35 CO 0.12 -1.96 1.22 -0.63 -0.17 0.00 0.00 175.17 173.75 1vba s ILE 36 N 6.95 3.82 0.57 4.11 1.01 -1.26 -5.03 121.20 131.37 1vba s ILE 36 Ca 0.58 1.36 -0.20 0.00 0.00 0.00 0.00 60.65 62.39 1vba s ILE 36 Cb -0.00 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.55 1vba s ILE 36 CO 0.02 0.14 1.21 -2.16 0.00 0.00 0.00 174.94 174.14 1vba s PRO 37 N 0.71 3.13 0.00 2.79 0.04 -1.26 -4.30 135.00 136.12 1vba s PRO 37 Ca 0.58 1.83 0.00 0.00 0.04 0.00 0.00 61.00 63.45 1vba s PRO 37 Cb -0.31 -2.03 0.00 0.00 0.04 0.00 0.00 34.50 32.20 1vba s PRO 37 CO 0.31 -1.08 0.00 0.41 0.04 0.00 0.00 177.00 176.69 1vba n GLY 38 N 0.48 0.89 3.75 0.56 0.00 -1.26 -5.06 105.19 104.54 1vba n GLY 38 Ca 0.12 -0.46 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 1vba n GLY 38 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1vba s GLU 39 N -1.33 4.34 -0.14 1.61 2.12 -1.26 -5.04 118.70 118.98 1vba s GLU 39 Ca 0.00 2.19 -0.02 0.00 0.36 0.00 0.00 54.97 57.50 1vba s GLU 39 Cb 0.00 -3.13 -0.02 0.00 0.26 0.00 0.00 34.13 31.24 1vba s GLU 39 CO 0.00 -0.29 -0.07 0.08 -0.54 0.00 0.00 175.26 174.44 1vba s VAL 40 N -0.30 3.60 -0.06 3.70 1.01 -1.26 -5.02 120.40 122.07 1vba s VAL 40 Ca 0.55 -0.46 0.21 0.00 0.00 0.00 0.00 61.98 62.28 1vba s VAL 40 Cb -0.39 -2.56 -0.32 0.00 0.00 0.00 0.00 36.38 33.11 1vba s VAL 40 CO 0.44 0.51 0.47 0.29 0.00 0.00 0.00 175.10 176.81 1vba n LYS 41 N 3.50 0.62 -3.70 2.72 4.76 -1.26 -5.00 118.16 119.79 1vba n LYS 41 Ca -0.18 -0.18 -0.11 0.00 -2.87 0.00 0.00 58.31 54.97 1vba n LYS 41 Cb 0.53 -1.49 -0.11 0.00 -1.84 0.00 0.00 35.03 32.11 1vba n LYS 41 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 1vba s ASN 42 N -4.34 -0.49 0.55 4.39 3.84 -1.26 -5.03 114.94 112.59 1vba s ASN 42 Ca -0.07 0.87 0.29 0.00 0.21 0.00 0.00 52.86 54.16 1vba s ASN 42 Cb 0.13 0.77 1.46 0.00 -0.55 0.00 0.00 41.25 43.06 1vba s ASN 42 CO 0.86 -0.18 1.92 0.24 -2.79 0.00 0.00 177.10 177.15 1vba h MET 43 N 6.85 0.00 0.00 0.43 2.86 -2.03 0.21 114.93 123.25 1vba h MET 43 Ca -0.35 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.27 1vba h MET 43 Cb 1.18 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.84 1vba h MET 43 CO 0.29 0.00 -0.07 0.52 1.06 0.00 0.00 176.91 178.71 1vba h MET 44 N 0.00 0.00 -0.92 1.72 2.86 -1.96 -1.60 114.93 115.03 1vba h MET 44 Ca 0.34 0.00 0.16 0.00 -2.06 0.00 0.00 59.70 58.14 1vba h MET 44 Cb 1.43 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 33.01 1vba h MET 44 CO -0.00 0.07 0.59 0.93 1.06 0.00 0.00 176.91 179.56 1vba h GLU 45 N 0.00 0.64 -0.24 1.72 5.08 -1.37 -2.01 114.58 118.40 1vba h GLU 45 Ca -0.00 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.15 1vba h GLU 45 Cb 0.16 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 1vba h GLU 45 CO 0.01 0.42 -0.55 -0.07 -1.00 0.00 0.00 179.01 177.83 1vba h LEU 46 N 0.66 0.81 -1.20 1.33 3.38 -1.44 -2.93 115.31 115.92 1vba h LEU 46 Ca 0.48 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1vba h LEU 46 Cb 0.83 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1vba h LEU 46 CO -0.23 1.20 0.00 0.00 0.09 0.00 0.00 178.44 179.49 1vba h ALA 47 N 0.82 1.00 -0.00 1.53 0.00 -1.33 -2.13 119.26 119.14 1vba h ALA 47 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1vba h ALA 47 Cb 1.12 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1vba h ALA 47 CO 0.11 0.00 -0.23 0.39 0.00 0.00 0.00 179.25 179.52 1vba n GLU 48 N -2.55 0.42 -2.96 0.00 1.02 -0.94 -0.84 120.64 114.80 1vba n GLU 48 Ca 0.01 -0.19 -0.41 0.00 -0.02 0.00 0.00 57.16 56.56 1vba n GLU 48 Cb 0.21 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.09 1vba n GLU 48 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1vba s ILE 49 N -2.71 4.96 -0.04 -3.67 1.01 -0.80 -4.58 121.20 115.37 1vba s ILE 49 Ca 0.21 1.55 -0.34 0.00 0.00 0.00 0.00 60.65 62.07 1vba s ILE 49 Cb 0.19 -4.09 -0.12 0.00 0.01 0.00 0.00 42.46 38.45 1vba s ILE 49 CO 0.56 0.13 1.85 0.47 0.00 0.00 0.00 174.94 177.95 1vba n ASP 50 N 4.53 3.46 -4.29 3.58 8.00 -1.26 -4.63 116.55 125.95 1vba n ASP 50 Ca 0.02 0.98 -0.22 0.00 0.71 0.00 0.00 54.79 56.28 1vba n ASP 50 Cb 0.50 -1.39 -0.12 0.00 -0.02 0.00 0.00 41.12 40.09 1vba n ASP 50 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1vba s THR 51 N 3.64 1.66 0.12 -3.53 -4.23 -1.15 -4.94 115.64 107.22 1vba s THR 51 Ca 0.90 -1.63 -0.31 0.00 -1.18 0.00 0.00 61.69 59.48 1vba s THR 51 Cb -0.67 -1.59 -0.07 0.00 1.34 0.00 0.00 72.50 71.51 1vba s THR 51 CO 0.49 -0.16 1.29 -0.32 -0.54 0.00 0.00 174.62 175.38 1vba s MET 52 N -2.18 4.39 -0.04 3.99 1.75 -1.26 -1.96 119.30 123.99 1vba s MET 52 Ca 0.08 1.95 -0.27 0.00 -1.25 0.00 0.00 55.69 56.20 1vba s MET 52 Cb -0.09 -3.27 -0.03 0.00 2.84 0.00 0.00 34.83 34.28 1vba s MET 52 CO 0.05 -0.31 0.85 0.42 -0.65 0.00 0.00 175.02 175.38 1vba s ILE 53 N 0.83 4.94 -0.66 10.11 1.01 0.34 -4.87 121.20 132.91 1vba s ILE 53 Ca 0.60 1.78 -0.16 0.00 0.00 0.00 0.00 60.65 62.87 1vba s ILE 53 Cb -0.34 -4.19 -0.14 0.00 0.01 0.00 0.00 42.46 37.80 1vba s ILE 53 CO 0.32 0.19 1.86 -0.81 0.00 0.00 0.00 174.94 176.50 1vba n PRO 54 N 3.93 1.38 0.24 2.79 -0.04 -1.25 -4.55 135.00 137.50 1vba n PRO 54 Ca 0.03 -1.52 0.17 0.00 -0.04 0.00 0.00 63.50 62.13 1vba n PRO 54 Cb 0.51 -2.65 0.80 0.00 -0.04 0.00 0.00 33.50 32.11 1vba n PRO 54 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1vba h LEU 55 N 12.30 0.00 -7.15 1.53 3.38 -1.63 -3.38 115.31 120.36 1vba h LEU 55 Ca 0.39 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.73 1vba h LEU 55 Cb 0.46 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.80 1vba h LEU 55 CO 1.74 0.00 -0.54 0.21 0.09 0.00 0.00 178.44 179.94 1vba s ASN 56 N -4.87 4.85 -0.47 -0.43 2.47 0.31 -4.93 114.94 111.87 1vba s ASN 56 Ca -0.01 -3.71 0.02 0.00 0.42 0.00 0.00 52.86 49.58 1vba s ASN 56 Cb 0.10 -1.66 0.54 0.00 -1.45 0.00 0.00 41.25 38.78 1vba s ASN 56 CO 0.40 -0.12 1.90 0.18 -3.72 0.00 0.00 177.10 175.74 1vba n LEU 57 N 2.18 6.77 -4.77 3.21 4.77 -1.26 -3.76 117.00 124.13 1vba n LEU 57 Ca 0.17 -3.65 -0.36 0.00 -0.03 0.00 0.00 56.01 52.15 1vba n LEU 57 Cb 0.35 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 40.57 1vba n LEU 57 CO 0.29 1.14 0.80 -1.61 -1.33 0.00 0.00 177.39 176.68 1vba s GLU 58 N -3.15 3.43 0.02 3.23 0.41 -1.26 -4.54 118.70 116.84 1vba s GLU 58 Ca 0.54 1.67 -0.04 0.00 -0.41 0.00 0.00 54.97 56.73 1vba s GLU 58 Cb 0.44 -2.10 -0.01 0.00 -1.78 0.00 0.00 34.13 30.69 1vba s GLU 58 CO 0.06 -0.80 0.21 0.45 -0.49 0.00 0.00 175.26 174.69 1vba n SER 59 N -1.11 -0.14 0.03 -0.19 2.88 -1.26 -0.18 113.62 113.65 1vba n SER 59 Ca 0.11 0.24 0.12 0.00 -1.33 0.00 0.00 58.87 58.00 1vba n SER 59 Cb 0.50 -0.03 0.17 0.00 -0.75 0.00 0.00 64.21 64.10 1vba n SER 59 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1vba n THR 60 N -4.17 0.20 0.02 2.46 -2.24 -1.26 -4.22 114.28 105.07 1vba n THR 60 Ca 0.00 -0.18 -0.14 0.00 -2.27 0.00 0.00 64.05 61.47 1vba n THR 60 Cb 0.04 0.06 -0.14 0.00 -2.10 0.00 0.00 70.33 68.19 1vba n THR 60 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1vba h LYS 61 N 0.00 0.13 -7.16 -0.78 1.79 -0.85 -3.47 116.57 106.23 1vba h LYS 61 Ca 0.00 -0.23 -0.53 0.00 -2.18 0.00 0.00 60.65 57.72 1vba h LYS 61 Cb 0.66 0.09 0.13 0.00 -1.58 0.00 0.00 32.23 31.53 1vba h LYS 61 CO 0.00 0.88 0.41 -0.98 -1.08 0.00 0.00 179.45 178.68 1vba s ARG 62 N -2.61 2.52 -1.39 3.15 1.70 -0.45 -2.32 118.95 119.56 1vba s ARG 62 Ca -0.09 1.69 -0.09 0.00 -0.47 0.00 0.00 55.73 56.77 1vba s ARG 62 Cb 0.07 -1.89 0.06 0.00 -0.57 0.00 0.00 34.95 32.63 1vba s ARG 62 CO 0.82 -1.52 0.59 0.09 -1.08 0.00 0.00 175.30 174.19 1vba n ASN 63 N -2.34 -4.48 -3.99 -2.89 3.02 -1.26 -4.93 115.26 98.39 1vba n ASN 63 Ca 0.13 -0.42 -0.09 0.00 -0.03 0.00 0.00 54.58 54.17 1vba n ASN 63 Cb 0.50 -3.65 -0.08 0.00 -0.61 0.00 0.00 39.78 35.94 1vba n ASN 63 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1vba s THR 64 N -3.04 0.09 0.35 3.41 2.01 -1.19 -5.05 115.64 112.21 1vba s THR 64 Ca 0.41 -1.48 0.29 0.00 0.31 0.00 0.00 61.69 61.22 1vba s THR 64 Cb -0.21 -1.78 0.31 0.00 0.01 0.00 0.00 72.50 70.82 1vba s THR 64 CO 0.51 -0.42 2.04 0.24 -0.69 0.00 0.00 174.62 176.29 1vba h MET 65 N 2.67 0.00 0.00 4.92 2.86 -1.93 -2.59 114.93 120.86 1vba h MET 65 Ca -0.33 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.31 1vba h MET 65 Cb 1.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.87 1vba h MET 65 CO 0.53 0.12 0.00 -0.44 1.06 0.00 0.00 176.91 178.17 1vba h ASP 66 N 0.00 0.00 0.17 1.22 3.32 -1.95 -2.62 116.42 116.56 1vba h ASP 66 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1vba h ASP 66 Cb 0.41 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 1vba h ASP 66 CO 0.02 0.00 -0.04 0.00 -1.72 0.00 0.00 179.24 177.50 1vba h MET 67 N 0.00 0.00 -0.00 3.56 -0.00 -1.05 -1.68 114.93 115.76 1vba h MET 67 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1vba h MET 67 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.88 1vba h MET 67 CO 0.00 0.04 -0.24 0.66 -0.00 0.00 0.00 176.91 177.37 1vba n TYR 68 N -3.54 0.00 -3.83 -0.10 4.01 -0.99 -0.53 117.16 112.19 1vba n TYR 68 Ca -0.02 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.35 1vba n TYR 68 Cb 0.14 -0.24 -0.13 0.00 -0.31 0.00 0.00 39.34 38.79 1vba n TYR 68 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1vba s ARG 69 N -2.72 3.06 -0.27 -0.72 0.52 -0.63 -4.45 118.95 113.73 1vba s ARG 69 Ca 0.20 -0.86 -0.14 0.00 -0.52 0.00 0.00 55.73 54.41 1vba s ARG 69 Cb 0.19 -3.24 -0.04 0.00 0.52 0.00 0.00 34.95 32.38 1vba s ARG 69 CO 0.56 -0.41 0.33 0.08 0.02 0.00 0.00 175.30 175.88 1vba s VAL 70 N 1.45 5.21 -0.24 3.52 1.01 -0.63 -4.78 120.40 125.95 1vba s VAL 70 Ca 0.02 0.48 -0.29 0.00 0.00 0.00 0.00 61.98 62.19 1vba s VAL 70 Cb -0.17 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1vba s VAL 70 CO 0.00 0.18 1.15 -0.89 0.00 0.00 0.00 175.10 175.55 1vba s THR 71 N 1.98 4.45 -0.05 3.92 2.01 -1.26 -0.62 115.64 126.07 1vba s THR 71 Ca 0.13 1.72 -0.04 0.00 0.31 0.00 0.00 61.69 63.81 1vba s THR 71 Cb -0.16 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.10 1vba s THR 71 CO 0.10 -0.27 0.14 -0.76 -0.69 0.00 0.00 174.62 173.14 1vba s LEU 72 N 3.55 4.23 0.04 4.42 1.43 0.84 -4.96 118.68 128.23 1vba s LEU 72 Ca 0.49 0.33 -0.12 0.00 -1.03 0.00 0.00 54.13 53.81 1vba s LEU 72 Cb -0.17 -2.31 0.01 0.00 0.03 0.00 0.00 46.19 43.75 1vba s LEU 72 CO 0.13 0.32 0.26 -0.94 0.23 0.00 0.00 176.35 176.35 1vba s SER 73 N -1.53 -0.06 0.21 2.29 1.04 -1.26 -0.99 113.70 113.40 1vba s SER 73 Ca 0.21 -0.27 0.22 0.00 0.48 0.00 0.00 55.95 56.60 1vba s SER 73 Cb -0.12 0.33 0.92 0.00 0.10 0.00 0.00 66.02 67.24 1vba s SER 73 CO 0.12 -0.59 1.68 -0.90 0.98 0.00 0.00 173.24 174.52 1vba n ASP 74 N 0.61 0.56 -0.98 7.02 5.75 -0.42 -2.59 116.55 126.51 1vba n ASP 74 Ca -0.19 0.63 0.08 0.00 -0.01 0.00 0.00 54.79 55.30 1vba n ASP 74 Cb 0.59 -0.75 0.25 0.00 -1.03 0.00 0.00 41.12 40.18 1vba n ASP 74 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1vba n SER 75 N -2.11 3.84 -4.73 -1.12 3.41 -1.26 -4.79 113.62 106.85 1vba n SER 75 Ca 0.03 -2.61 -0.33 0.00 -0.26 0.00 0.00 58.87 55.70 1vba n SER 75 Cb 0.23 -0.46 0.09 0.00 -0.26 0.00 0.00 64.21 63.81 1vba n SER 75 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vba s ALA 76 N -2.10 2.15 -0.63 7.33 0.00 -1.07 -4.94 121.76 122.50 1vba s ALA 76 Ca 0.38 0.69 -0.27 0.00 0.00 0.00 0.00 51.96 52.76 1vba s ALA 76 Cb 0.28 -3.40 -0.00 0.00 0.00 0.00 0.00 23.12 19.99 1vba s ALA 76 CO 0.14 -1.80 1.61 0.34 0.00 0.00 0.00 175.76 176.05 1vba s ASP 77 N -2.40 5.69 0.57 0.00 -1.08 -1.26 -4.88 116.67 113.31 1vba s ASP 77 Ca 0.70 0.12 0.27 0.00 -0.52 0.00 0.00 52.55 53.12 1vba s ASP 77 Cb -0.25 -2.54 1.53 0.00 -1.46 0.00 0.00 42.92 40.20 1vba s ASP 77 CO 0.47 -2.09 2.03 -0.07 0.52 0.00 0.00 175.17 176.02 1vba h LEU 78 N 14.80 0.00 -1.10 -1.34 3.38 -1.96 -1.36 115.31 127.74 1vba h LEU 78 Ca -0.27 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.62 1vba h LEU 78 Cb 1.12 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 1vba h LEU 78 CO 1.22 0.00 -0.39 0.77 0.09 0.00 0.00 178.44 180.13 1vba h SER 79 N 0.00 0.00 -4.04 -0.43 4.64 -1.95 -3.41 113.55 108.35 1vba h SER 79 Ca 0.16 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 61.03 1vba h SER 79 Cb 0.77 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.84 1vba h SER 79 CO -0.00 0.39 0.32 -1.10 -0.87 0.00 0.00 176.83 175.57 1vba s GLN 80 N -3.83 4.20 0.28 4.77 -1.52 -0.51 -4.63 119.66 118.43 1vba s GLN 80 Ca -0.01 1.08 -0.30 0.00 -1.95 0.00 0.00 55.36 54.18 1vba s GLN 80 Cb 0.12 -2.20 -0.11 0.00 -0.22 0.00 0.00 33.01 30.61 1vba s GLN 80 CO 0.70 -0.02 1.56 -1.25 -0.25 0.00 0.00 175.29 176.02 1vba s PRO 81 N -3.19 4.16 0.07 2.91 0.04 -1.26 -4.65 135.00 133.07 1vba s PRO 81 Ca 0.61 2.51 -0.19 0.00 0.04 0.00 0.00 61.00 63.97 1vba s PRO 81 Cb -0.09 -3.04 -0.11 0.00 0.04 0.00 0.00 34.50 31.30 1vba s PRO 81 CO 0.14 -0.58 1.44 0.82 0.04 0.00 0.00 177.00 178.86 1vba h ILE 82 N 3.43 1.30 -2.63 0.56 2.04 -1.19 -3.47 117.51 117.54 1vba h ILE 82 Ca -0.47 -1.11 -0.10 0.00 1.00 0.00 0.00 64.86 64.18 1vba h ILE 82 Cb 1.22 1.59 -0.20 0.00 -0.74 0.00 0.00 36.82 38.70 1vba h ILE 82 CO 0.79 0.34 -0.10 -1.48 0.00 0.00 0.00 178.15 177.70 1vba s LEU 83 N -9.28 0.26 -0.04 1.44 0.05 -1.25 -5.00 118.68 104.86 1vba s LEU 83 Ca -0.14 0.35 0.01 0.00 0.05 0.00 0.00 54.13 54.41 1vba s LEU 83 Cb 0.07 1.76 0.02 0.00 -2.05 0.00 0.00 46.19 45.98 1vba s LEU 83 CO 0.75 -0.50 -0.06 0.00 -0.55 0.00 0.00 176.35 175.99 1vba s LEU 85 N 0.72 1.06 0.22 0.00 0.20 0.08 -5.02 118.68 115.95 1vba s LEU 85 Ca -0.11 0.26 -0.21 0.00 0.69 0.00 0.00 54.13 54.76 1vba s LEU 85 Cb -0.13 0.96 -0.08 0.00 -0.43 0.00 0.00 46.19 46.50 1vba s LEU 85 CO 0.01 -0.25 0.75 -0.44 -0.29 0.00 0.00 176.35 176.13 1vba s SER 86 N -0.57 7.13 -1.38 3.68 0.01 -1.26 -0.45 113.70 120.85 1vba s SER 86 Ca -0.07 1.48 -0.14 0.00 1.31 0.00 0.00 55.95 58.53 1vba s SER 86 Cb -0.04 -2.44 0.07 0.00 0.21 0.00 0.00 66.02 63.82 1vba s SER 86 CO 0.02 0.05 2.00 -0.11 0.41 0.00 0.00 173.24 175.61 1vba n LEU 87 N 0.84 6.22 -3.38 2.44 7.94 0.38 -4.69 117.00 126.75 1vba n LEU 87 Ca -0.02 -4.17 -0.26 0.00 -1.11 0.00 0.00 56.01 50.44 1vba n LEU 87 Cb 0.51 -1.66 -0.08 0.00 0.53 0.00 0.00 43.42 42.72 1vba n LEU 87 CO 0.44 0.86 -0.06 -1.20 -1.11 0.00 0.00 177.39 176.32 1vba n SER 88 N 6.38 2.42 -0.30 1.96 7.64 -1.26 -3.43 113.62 127.03 1vba n SER 88 Ca 0.49 -3.15 0.25 0.00 1.01 0.00 0.00 58.87 57.47 1vba n SER 88 Cb 0.41 -0.66 0.58 0.00 -1.01 0.00 0.00 64.21 63.53 1vba n SER 88 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 1vba h PRO 89 N 4.25 0.27 0.00 1.43 0.10 -1.90 0.40 132.00 136.55 1vba h PRO 89 Ca 0.16 -0.02 0.00 0.00 0.10 0.00 0.00 66.00 66.24 1vba h PRO 89 Cb 0.75 -0.06 0.00 0.00 0.10 0.00 0.00 31.00 31.79 1vba h PRO 89 CO 0.69 0.18 -1.06 0.00 0.10 0.00 0.00 178.00 177.91 1vba n ALA 90 N -2.56 3.17 -0.08 -0.75 0.00 -1.26 -3.01 120.51 116.01 1vba n ALA 90 Ca 0.24 -0.37 -0.13 0.00 0.00 0.00 0.00 53.44 53.18 1vba n ALA 90 Cb 0.94 -1.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.33 1vba n ALA 90 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1vba n PHE 91 N -2.11 0.00 -1.69 0.00 7.35 -0.04 -4.37 117.46 116.60 1vba n PHE 91 Ca 0.01 0.00 -0.44 0.00 -0.76 0.00 0.00 57.45 56.26 1vba n PHE 91 Cb 0.46 -0.59 -0.04 0.00 0.35 0.00 0.00 39.48 39.67 1vba n PHE 91 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 1vba n ASP 92 N -3.21 3.67 0.05 -2.13 -0.08 -0.22 -4.67 116.55 109.95 1vba n ASP 92 Ca -0.29 1.04 0.15 0.00 -1.51 0.00 0.00 54.79 54.18 1vba n ASP 92 Cb 0.77 -1.50 0.63 0.00 2.34 0.00 0.00 41.12 43.35 1vba n ASP 92 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1vba h PRO 93 N 7.29 0.11 -0.10 -0.67 0.13 -1.94 0.29 132.00 137.10 1vba h PRO 93 Ca -0.45 -0.01 -0.12 0.00 -0.87 0.00 0.00 66.00 64.55 1vba h PRO 93 Cb 1.23 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1vba h PRO 93 CO 0.93 0.07 -0.46 0.00 -0.23 0.00 0.00 178.00 178.31 1vba h ARG 94 N 0.11 0.25 0.02 0.86 3.08 -1.89 -3.37 114.38 113.45 1vba h ARG 94 Ca 0.19 -0.13 -0.37 0.00 0.07 0.00 0.00 59.98 59.74 1vba h ARG 94 Cb 0.61 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.61 1vba h ARG 94 CO -0.02 0.66 -2.30 1.28 -1.07 0.00 0.00 179.97 178.52 1vba n LEU 95 N -3.98 2.03 -0.31 3.04 4.77 0.80 -3.88 117.00 119.47 1vba n LEU 95 Ca -0.02 0.00 0.35 0.00 -0.03 0.00 0.00 56.01 56.32 1vba n LEU 95 Cb 0.52 -0.52 0.75 0.00 -2.33 0.00 0.00 43.42 41.83 1vba n LEU 95 CO 0.43 0.77 1.32 0.77 -1.33 0.00 0.00 177.39 179.35 1vba h SER 96 N 0.01 0.00 -0.20 -1.43 4.64 -0.86 -1.37 113.55 114.35 1vba h SER 96 Ca -0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.80 1vba h SER 96 Cb 2.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.11 1vba h SER 96 CO -0.01 0.00 0.00 1.41 -0.87 0.00 0.00 176.83 177.36 1vba n HIS 97 N -4.17 0.23 -1.12 4.77 8.25 -1.26 -3.20 115.22 118.72 1vba n HIS 97 Ca 0.25 -0.13 -0.30 0.00 -0.26 0.00 0.00 57.72 57.28 1vba n HIS 97 Cb 1.24 -0.00 0.14 0.00 1.12 0.00 0.00 29.99 32.49 1vba n HIS 97 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1vba s THR 98 N -1.61 2.70 0.27 1.59 -4.23 -0.52 -4.70 115.64 109.14 1vba s THR 98 Ca 0.31 0.23 -0.02 0.00 -1.18 0.00 0.00 61.69 61.02 1vba s THR 98 Cb 0.20 -2.64 0.27 0.00 1.34 0.00 0.00 72.50 71.66 1vba s THR 98 CO 0.28 -0.30 1.87 -0.03 -0.54 0.00 0.00 174.62 175.91 1vba h MET 99 N -1.56 1.11 -0.08 3.99 1.85 -1.91 0.27 114.93 118.59 1vba h MET 99 Ca -0.48 -0.07 0.02 0.00 -0.61 0.00 0.00 59.70 58.56 1vba h MET 99 Cb 1.27 -0.25 -0.01 0.00 0.43 0.00 0.00 31.60 33.04 1vba h MET 99 CO 0.52 0.73 -0.01 1.25 -0.40 0.00 0.00 176.91 179.00 1vba h LEU 100 N 1.14 -0.06 -1.16 3.39 5.85 -1.83 -2.27 115.31 120.37 1vba h LEU 100 Ca 0.44 0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.20 1vba h LEU 100 Cb 0.20 0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 1vba h LEU 100 CO -0.18 -0.02 0.57 1.23 -0.34 0.00 0.00 178.44 179.70 1vba h GLY 101 N 0.01 1.22 0.90 3.75 0.00 -1.41 -1.93 103.07 105.61 1vba h GLY 101 Ca 0.04 -0.44 -0.08 0.00 0.00 0.00 0.00 47.33 46.85 1vba h GLY 101 CO -0.08 0.41 -0.15 0.83 0.00 0.00 0.00 176.54 177.55 1vba h GLU 102 N 1.12 0.59 -0.72 4.80 4.39 -0.79 -1.67 114.58 122.31 1vba h GLU 102 Ca 0.33 -0.27 -0.02 0.00 0.34 0.00 0.00 59.36 59.75 1vba h GLU 102 Cb -0.06 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.55 1vba h GLU 102 CO -0.09 0.84 0.39 0.28 -1.16 0.00 0.00 179.01 179.27 1vba h VAL 103 N 0.33 1.22 -0.08 3.13 2.07 -1.28 -2.77 116.25 118.88 1vba h VAL 103 Ca 0.06 -0.57 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 1vba h VAL 103 Cb 0.67 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 1vba h VAL 103 CO 0.04 0.25 -0.09 -0.07 0.02 0.00 0.00 177.57 177.72 1vba h LEU 104 N 0.99 0.10 0.00 2.57 4.07 -1.19 -2.17 115.31 119.69 1vba h LEU 104 Ca 0.25 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.20 1vba h LEU 104 Cb 0.05 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 41.76 1vba h LEU 104 CO -0.04 0.22 0.00 0.59 -1.08 0.00 0.00 178.44 178.13 1vba n ASN 105 N -4.36 0.00 -0.79 -0.43 3.02 -0.64 -1.11 115.26 110.94 1vba n ASN 105 Ca -0.02 -0.05 0.13 0.00 -0.03 0.00 0.00 54.58 54.61 1vba n ASN 105 Cb 0.21 -0.24 0.27 0.00 -0.61 0.00 0.00 39.78 39.41 1vba n ASN 105 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1vba n TYR 106 N -1.24 0.08 -4.29 3.10 4.01 -0.81 -3.50 117.16 114.50 1vba n TYR 106 Ca 0.09 -0.04 -0.20 0.00 -0.16 0.00 0.00 57.90 57.58 1vba n TYR 106 Cb 0.12 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.04 1vba n TYR 106 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1vba s TYR 107 N -1.92 1.64 0.00 -0.72 2.02 -0.27 -0.54 117.35 117.56 1vba s TYR 107 Ca 0.33 -0.50 0.08 0.00 -0.37 0.00 0.00 57.07 56.61 1vba s TYR 107 Cb 0.20 -0.84 -0.23 0.00 -0.40 0.00 0.00 41.96 40.69 1vba s TYR 107 CO 0.31 0.24 0.83 1.15 -1.57 0.00 0.00 175.55 176.51 1vba h THR 108 N 3.46 1.10 -3.84 -0.71 2.02 -0.35 -3.43 112.91 111.16 1vba h THR 108 Ca -0.42 -2.88 -0.58 0.00 0.77 0.00 0.00 66.41 63.30 1vba h THR 108 Cb 1.20 2.59 -0.32 0.00 -1.74 0.00 0.00 68.15 69.88 1vba h THR 108 CO 0.49 0.69 -0.85 -1.00 0.37 0.00 0.00 175.52 175.23 1vba s HIS 109 N -2.63 1.85 0.17 3.16 3.76 -0.44 -0.94 115.29 120.22 1vba s HIS 109 Ca -0.05 -0.56 0.10 0.00 -0.15 0.00 0.00 55.06 54.40 1vba s HIS 109 Cb 0.08 -1.25 -0.04 0.00 1.11 0.00 0.00 32.58 32.48 1vba s HIS 109 CO 0.82 -0.20 -0.21 1.67 -0.85 0.00 0.00 174.74 175.97 1vba s TRP 110 N 0.08 2.04 -0.13 1.40 1.48 0.04 -1.46 118.94 122.40 1vba s TRP 110 Ca -0.06 -0.41 -0.17 0.00 -1.06 0.00 0.00 56.10 54.40 1vba s TRP 110 Cb -0.13 -1.03 0.04 0.00 -1.16 0.00 0.00 33.47 31.20 1vba s TRP 110 CO 0.03 0.39 0.46 0.00 -4.06 0.00 0.00 176.95 173.77 1vba s ALA 111 N -1.76 -1.14 0.00 2.67 0.00 -0.51 -0.27 121.76 120.75 1vba s ALA 111 Ca 0.17 1.11 0.00 0.00 0.00 0.00 0.00 51.96 53.24 1vba s ALA 111 Cb -0.07 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.54 1vba s ALA 111 CO 0.08 -0.24 0.00 0.41 0.00 0.00 0.00 175.76 176.00 1vba n GLY 112 N 2.30 2.05 3.85 0.00 0.00 -1.26 -0.37 105.19 111.76 1vba n GLY 112 Ca -0.16 -1.99 -0.36 0.00 0.00 0.00 0.00 46.02 43.51 1vba n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vba s SER 113 N 0.00 6.72 0.27 1.61 0.01 -1.26 -4.34 113.70 116.71 1vba s SER 113 Ca 0.00 0.87 0.09 0.00 1.31 0.00 0.00 55.95 58.22 1vba s SER 113 Cb 0.00 -2.21 -0.04 0.00 0.21 0.00 0.00 66.02 63.98 1vba s SER 113 CO 0.00 0.25 0.05 -0.76 0.41 0.00 0.00 173.24 173.19 1vba s LEU 114 N -1.50 3.34 -0.03 2.44 1.43 -0.78 -0.54 118.68 123.05 1vba s LEU 114 Ca 0.28 -0.57 -0.00 0.00 -1.03 0.00 0.00 54.13 52.81 1vba s LEU 114 Cb -0.15 -1.86 0.03 0.00 0.03 0.00 0.00 46.19 44.24 1vba s LEU 114 CO 0.15 -0.02 0.05 -1.59 0.23 0.00 0.00 176.35 175.17 1vba s LYS 115 N -3.72 -0.02 -0.22 1.70 -2.85 0.02 0.05 119.74 114.70 1vba s LYS 115 Ca 0.32 0.22 -0.10 0.00 -1.00 0.00 0.00 55.97 55.41 1vba s LYS 115 Cb -0.06 -0.24 -0.05 0.00 -2.06 0.00 0.00 37.83 35.42 1vba s LYS 115 CO 0.21 -0.17 0.14 -0.06 0.10 0.00 0.00 175.35 175.57 1vba s PHE 116 N 1.10 3.36 -0.10 1.78 0.40 0.14 -2.01 117.98 122.65 1vba s PHE 116 Ca -0.09 0.26 0.04 0.00 -0.60 0.00 0.00 56.93 56.54 1vba s PHE 116 Cb -0.13 -2.21 -0.00 0.00 0.51 0.00 0.00 43.02 41.20 1vba s PHE 116 CO -0.03 0.18 -0.23 0.99 0.70 0.00 0.00 175.22 176.82 1vba s THR 117 N 0.68 2.12 -0.11 0.64 2.01 0.17 -0.87 115.64 120.28 1vba s THR 117 Ca 0.08 -1.00 -0.02 0.00 0.31 0.00 0.00 61.69 61.06 1vba s THR 117 Cb -0.12 -1.81 -0.03 0.00 0.01 0.00 0.00 72.50 70.55 1vba s THR 117 CO 0.01 0.56 -0.05 -0.36 -0.69 0.00 0.00 174.62 174.09 1vba s PHE 118 N 0.33 2.99 -0.23 4.92 0.08 -0.01 0.03 117.98 126.09 1vba s PHE 118 Ca -0.18 -0.15 -0.05 0.00 0.12 0.00 0.00 56.93 56.66 1vba s PHE 118 Cb -0.18 -1.84 -0.02 0.00 -0.57 0.00 0.00 43.02 40.41 1vba s PHE 118 CO 0.09 0.14 -0.00 -1.17 -0.10 0.00 0.00 175.22 174.17 1vba s LEU 119 N -0.19 3.10 -0.40 -0.37 2.96 0.15 -1.37 118.68 122.56 1vba s LEU 119 Ca 0.03 -0.32 -0.29 0.00 -0.22 0.00 0.00 54.13 53.33 1vba s LEU 119 Cb -0.13 -1.81 0.02 0.00 0.50 0.00 0.00 46.19 44.78 1vba s LEU 119 CO 0.03 -0.02 1.10 0.12 -1.32 0.00 0.00 176.35 176.25 1vba s PHE 120 N 1.52 2.98 -0.31 5.38 5.36 -0.87 -1.68 117.98 130.36 1vba s PHE 120 Ca 0.06 0.94 0.10 0.00 -0.96 0.00 0.00 56.93 57.07 1vba s PHE 120 Cb -0.15 -4.05 0.68 0.00 -0.34 0.00 0.00 43.02 39.16 1vba s PHE 120 CO -0.01 -1.02 1.71 0.00 -1.46 0.00 0.00 175.22 174.45 1vba n GLY 122 N -0.44 -1.15 3.78 0.00 0.00 -1.25 -4.50 105.19 101.62 1vba n GLY 122 Ca 0.39 -1.75 -0.31 0.00 0.00 0.00 0.00 46.02 44.35 1vba n GLY 122 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vba s SER 123 N -4.87 4.71 0.45 1.61 1.04 -1.26 -4.95 113.70 110.43 1vba s SER 123 Ca 0.60 1.76 0.14 0.00 0.48 0.00 0.00 55.95 58.93 1vba s SER 123 Cb -0.02 -2.50 1.01 0.00 0.10 0.00 0.00 66.02 64.61 1vba s SER 123 CO 0.42 -1.89 2.01 -0.03 0.98 0.00 0.00 173.24 174.73 1vba h MET 124 N -1.03 0.06 0.00 4.02 4.05 -2.00 -1.68 114.93 118.35 1vba h MET 124 Ca -0.44 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 58.97 1vba h MET 124 Cb 1.23 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.02 1vba h MET 124 CO 0.53 0.19 0.00 -1.33 0.23 0.00 0.00 176.91 176.52 1vba n MET 125 N -4.36 0.06 -3.01 0.39 2.81 -1.26 -4.79 117.12 106.96 1vba n MET 125 Ca -0.02 0.22 -0.38 0.00 -1.81 0.00 0.00 57.70 55.71 1vba n MET 125 Cb 0.21 -1.50 -0.06 0.00 -0.71 0.00 0.00 33.22 31.16 1vba n MET 125 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1vba s ALA 126 N -2.88 3.42 0.33 3.04 0.00 -0.63 -4.43 121.76 120.60 1vba s ALA 126 Ca 0.09 0.31 0.03 0.00 0.00 0.00 0.00 51.96 52.39 1vba s ALA 126 Cb 0.10 -2.92 -0.06 0.00 0.00 0.00 0.00 23.12 20.24 1vba s ALA 126 CO 0.26 0.30 0.07 0.95 0.00 0.00 0.00 175.76 177.34 1vba s THR 127 N -1.30 1.02 0.00 0.00 -4.23 -0.20 -4.87 115.64 106.06 1vba s THR 127 Ca 0.39 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.90 1vba s THR 127 Cb -0.21 -2.71 0.00 0.00 1.34 0.00 0.00 72.50 70.92 1vba s THR 127 CO 0.24 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.93 1vba n GLY 128 N -0.68 2.12 3.03 3.99 0.00 -1.26 -1.38 105.19 111.01 1vba n GLY 128 Ca -0.02 -0.85 -0.26 0.00 0.00 0.00 0.00 46.02 44.89 1vba n GLY 128 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vba s LYS 129 N -2.00 1.88 -0.07 1.61 1.02 -1.26 -1.45 119.74 119.47 1vba s LYS 129 Ca 0.00 -0.46 0.04 0.00 0.02 0.00 0.00 55.97 55.57 1vba s LYS 129 Cb 0.00 -1.58 -0.01 0.00 -0.52 0.00 0.00 37.83 35.72 1vba s LYS 129 CO 0.00 -0.01 -0.21 0.42 -0.92 0.00 0.00 175.35 174.63 1vba s ILE 130 N 0.80 2.41 -0.26 2.17 1.01 -0.20 -0.25 121.20 126.88 1vba s ILE 130 Ca -0.12 -0.93 -0.10 0.00 0.00 0.00 0.00 60.65 59.50 1vba s ILE 130 Cb -0.15 -1.92 -0.05 0.00 0.01 0.00 0.00 42.46 40.35 1vba s ILE 130 CO 0.02 0.56 0.16 -0.22 0.00 0.00 0.00 174.94 175.47 1vba s LEU 131 N -0.10 4.00 -0.08 2.97 0.20 0.21 -0.39 118.68 125.49 1vba s LEU 131 Ca -0.04 0.03 0.04 0.00 0.69 0.00 0.00 54.13 54.84 1vba s LEU 131 Cb -0.14 -2.09 -0.01 0.00 -0.43 0.00 0.00 46.19 43.51 1vba s LEU 131 CO 0.04 0.01 -0.20 0.54 -0.29 0.00 0.00 176.35 176.44 1vba s VAL 132 N 1.41 2.45 0.07 1.68 0.11 -0.33 -0.90 120.40 124.90 1vba s VAL 132 Ca 0.07 -0.91 0.01 0.00 -2.93 0.00 0.00 61.98 58.22 1vba s VAL 132 Cb -0.15 -1.95 -0.04 0.00 -1.53 0.00 0.00 36.38 32.72 1vba s VAL 132 CO 0.07 0.56 -0.05 0.00 -3.33 0.00 0.00 175.10 172.35 1vba s ALA 133 N -0.05 0.74 -0.07 1.54 0.00 0.17 -0.85 121.76 123.24 1vba s ALA 133 Ca -0.05 -1.21 -0.01 0.00 0.00 0.00 0.00 51.96 50.68 1vba s ALA 133 Cb -0.14 0.19 0.03 0.00 0.00 0.00 0.00 23.12 23.19 1vba s ALA 133 CO 0.05 -0.26 -0.02 -0.47 0.00 0.00 0.00 175.76 175.06 1vba s TYR 134 N -3.41 0.82 -0.40 0.00 5.04 0.10 -1.41 117.35 118.08 1vba s TYR 134 Ca 0.07 -0.27 -0.10 0.00 -2.44 0.00 0.00 57.07 54.33 1vba s TYR 134 Cb 0.04 -0.85 0.06 0.00 0.35 0.00 0.00 41.96 41.56 1vba s TYR 134 CO -0.06 -0.34 0.24 0.00 -1.34 0.00 0.00 175.55 174.05 1vba s ALA 135 N 1.76 3.28 0.47 3.97 0.00 0.42 -1.16 121.76 130.50 1vba s ALA 135 Ca 0.02 -1.97 -0.20 0.00 0.00 0.00 0.00 51.96 49.81 1vba s ALA 135 Cb -0.13 -2.62 -0.12 0.00 0.00 0.00 0.00 23.12 20.25 1vba s ALA 135 CO -0.05 -1.54 0.41 -2.30 0.00 0.00 0.00 175.76 172.27 1vba n PRO 136 N 4.95 0.43 -0.54 0.00 -0.02 -1.26 -0.71 135.00 137.84 1vba n PRO 136 Ca -0.11 0.16 -0.28 0.00 -2.02 0.00 0.00 63.50 61.25 1vba n PRO 136 Cb 0.44 -1.45 0.26 0.00 -0.02 0.00 0.00 33.50 32.73 1vba n PRO 136 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1vba s PRO 137 N -1.59 -1.11 0.00 0.52 0.04 -1.26 -4.57 135.00 127.03 1vba s PRO 137 Ca 0.64 0.77 0.00 0.00 0.04 0.00 0.00 61.00 62.45 1vba s PRO 137 Cb -0.54 -1.54 0.00 0.00 0.04 0.00 0.00 34.50 32.46 1vba s PRO 137 CO 0.59 -3.83 0.00 0.41 0.04 0.00 0.00 177.00 174.20 1vba n GLY 138 N 0.81 2.67 1.44 0.56 0.00 -1.26 -5.01 105.19 104.40 1vba n GLY 138 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 1vba n GLY 138 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vba n ALA 139 N -0.75 0.20 -2.02 4.61 0.00 -1.26 -5.10 120.51 116.18 1vba n ALA 139 Ca 0.00 -0.90 -0.42 0.00 0.00 0.00 0.00 53.44 52.12 1vba n ALA 139 Cb 0.00 0.53 -0.03 0.00 0.00 0.00 0.00 19.45 19.95 1vba n ALA 139 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1vba s GLN 140 N -2.71 4.20 0.11 0.00 0.74 -1.26 -4.95 119.66 115.79 1vba s GLN 140 Ca 0.03 2.18 -0.34 0.00 0.05 0.00 0.00 55.36 57.28 1vba s GLN 140 Cb 0.00 -3.86 -0.14 0.00 1.10 0.00 0.00 33.01 30.11 1vba s GLN 140 CO 0.02 -0.79 1.61 -2.30 -0.55 0.00 0.00 175.29 173.28 1vba n PRO 141 N 6.64 2.07 -1.69 1.67 -0.02 -1.26 -4.83 135.00 137.58 1vba n PRO 141 Ca 0.16 0.75 -0.45 0.00 -2.02 0.00 0.00 63.50 61.95 1vba n PRO 141 Cb 0.42 -2.52 -0.03 0.00 -0.02 0.00 0.00 33.50 31.35 1vba n PRO 141 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1vba n PRO 142 N 3.90 2.32 -0.00 0.52 -0.04 -1.26 -4.90 135.00 135.53 1vba n PRO 142 Ca 0.18 0.83 0.04 0.00 -0.04 0.00 0.00 63.50 64.52 1vba n PRO 142 Cb 0.28 -2.60 -0.06 0.00 -0.04 0.00 0.00 33.50 31.08 1vba n PRO 142 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1vba n THR 143 N 3.17 0.00 -4.28 0.52 -2.24 -1.26 -4.96 114.28 105.22 1vba n THR 143 Ca 0.15 -0.23 -0.21 0.00 -2.27 0.00 0.00 64.05 61.49 1vba n THR 143 Cb 0.31 0.51 -0.12 0.00 -2.10 0.00 0.00 70.33 68.94 1vba n THR 143 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1vba s SER 144 N -2.63 2.39 0.39 3.42 1.04 -1.26 -4.63 113.70 112.40 1vba s SER 144 Ca -0.01 -0.77 0.09 0.00 0.48 0.00 0.00 55.95 55.74 1vba s SER 144 Cb 0.06 -0.12 0.84 0.00 0.10 0.00 0.00 66.02 66.90 1vba s SER 144 CO 0.35 -0.03 1.96 -0.09 0.98 0.00 0.00 173.24 176.41 1vba h ARG 145 N 3.68 0.61 -0.58 4.02 2.43 -1.94 -1.23 114.38 121.38 1vba h ARG 145 Ca -0.43 -0.04 0.12 0.00 -0.81 0.00 0.00 59.98 58.82 1vba h ARG 145 Cb 1.19 -0.14 -0.10 0.00 -0.42 0.00 0.00 29.97 30.51 1vba h ARG 145 CO 0.46 0.41 -0.02 -0.22 -1.51 0.00 0.00 179.97 179.09 1vba h LYS 146 N 0.63 0.09 -0.16 0.20 1.63 -1.97 0.20 116.57 117.20 1vba h LYS 146 Ca 0.31 -0.01 -0.10 0.00 -0.85 0.00 0.00 60.65 60.00 1vba h LYS 146 Cb 0.37 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.98 1vba h LYS 146 CO -0.10 0.06 -0.30 0.93 -3.45 0.00 0.00 179.45 176.60 1vba h GLU 147 N 0.10 0.48 -0.75 1.90 5.08 -1.80 -3.29 114.58 116.30 1vba h GLU 147 Ca 0.30 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1vba h GLU 147 Cb 0.48 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.73 1vba h GLU 147 CO -0.51 0.91 0.44 0.00 -1.00 0.00 0.00 179.01 178.84 1vba h ALA 148 N 0.57 1.36 -0.95 3.43 0.00 -0.72 -2.98 119.26 119.97 1vba h ALA 148 Ca 0.01 -0.10 0.26 0.00 0.00 0.00 0.00 54.91 55.08 1vba h ALA 148 Cb 0.88 -0.30 -0.13 0.00 0.00 0.00 0.00 17.79 18.24 1vba h ALA 148 CO 0.07 0.55 0.46 1.98 0.00 0.00 0.00 179.25 182.30 1vba h MET 149 N 1.04 0.38 0.00 0.00 1.85 -0.68 -2.14 114.93 115.38 1vba h MET 149 Ca 0.27 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.34 1vba h MET 149 Cb -0.02 -0.09 0.00 0.00 0.43 0.00 0.00 31.60 31.92 1vba h MET 149 CO -0.05 0.25 0.00 1.28 -0.40 0.00 0.00 176.91 178.00 1vba n LEU 150 N -5.04 0.67 0.00 3.39 4.77 -1.13 -4.75 117.00 114.92 1vba n LEU 150 Ca 0.26 0.70 0.00 0.00 -0.03 0.00 0.00 56.01 56.94 1vba n LEU 150 Cb 0.77 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1vba n LEU 150 CO 0.12 -0.69 0.00 0.61 -1.33 0.00 0.00 177.39 176.10 1vba n GLY 151 N -0.37 1.79 3.70 -0.72 0.00 -0.81 -5.04 105.19 103.74 1vba n GLY 151 Ca 0.01 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 1vba n GLY 151 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vba s THR 152 N 0.91 2.38 0.17 2.61 2.01 -0.31 -4.82 115.64 118.59 1vba s THR 152 Ca 0.00 0.03 -0.19 0.00 0.31 0.00 0.00 61.69 61.84 1vba s THR 152 Cb 0.00 -3.02 0.04 0.00 0.01 0.00 0.00 72.50 69.53 1vba s THR 152 CO 0.00 0.00 0.52 -1.38 -0.69 0.00 0.00 174.62 173.07 1vba s HIS 153 N 2.32 -0.27 -0.04 4.92 -0.00 -1.26 0.01 115.29 120.97 1vba s HIS 153 Ca 0.79 -0.03 0.04 0.00 -0.00 0.00 0.00 55.06 55.86 1vba s HIS 153 Cb -0.47 0.41 -0.00 0.00 -0.00 0.00 0.00 32.58 32.52 1vba s HIS 153 CO 0.35 -0.85 -0.15 0.08 -0.00 0.00 0.00 174.74 174.17 1vba s VAL 154 N -3.82 1.28 -0.48 -5.38 1.01 -0.03 -5.01 120.40 107.97 1vba s VAL 154 Ca 0.05 -0.63 -0.13 0.00 0.00 0.00 0.00 61.98 61.27 1vba s VAL 154 Cb -0.00 -1.11 0.10 0.00 0.00 0.00 0.00 36.38 35.37 1vba s VAL 154 CO -0.08 0.37 0.38 -0.63 0.00 0.00 0.00 175.10 175.15 1vba s ILE 155 N 0.12 4.79 -0.15 2.22 1.01 -1.26 -1.18 121.20 126.74 1vba s ILE 155 Ca -0.05 -1.41 -0.29 0.00 0.00 0.00 0.00 60.65 58.90 1vba s ILE 155 Cb -0.11 -3.99 -0.01 0.00 0.01 0.00 0.00 42.46 38.36 1vba s ILE 155 CO 0.02 -0.68 1.11 0.86 0.00 0.00 0.00 174.94 176.24 1vba s TRP 156 N 1.52 3.26 -0.27 3.97 -0.00 0.48 -4.94 118.94 122.96 1vba s TRP 156 Ca 0.04 1.36 -0.08 0.00 -0.00 0.00 0.00 56.10 57.42 1vba s TRP 156 Cb -0.26 -3.32 -0.02 0.00 -0.00 0.00 0.00 33.47 29.87 1vba s TRP 156 CO 0.03 -0.82 0.11 0.34 -0.00 0.00 0.00 176.95 176.61 1vba s ASP 157 N 1.38 5.33 0.35 5.86 2.15 -1.26 -1.03 116.67 129.45 1vba s ASP 157 Ca 0.49 -0.33 -0.28 0.00 0.43 0.00 0.00 52.55 52.87 1vba s ASP 157 Cb -0.19 -1.96 -0.09 0.00 -0.30 0.00 0.00 42.92 40.38 1vba s ASP 157 CO 0.14 -0.10 1.23 -0.76 -0.17 0.00 0.00 175.17 175.51 1vba s LEU 158 N 1.62 4.36 0.00 -1.34 1.43 -0.53 -4.95 118.68 119.27 1vba s LEU 158 Ca 0.06 2.52 0.00 0.00 -1.03 0.00 0.00 54.13 55.67 1vba s LEU 158 Cb -0.16 -3.78 0.00 0.00 0.03 0.00 0.00 46.19 42.28 1vba s LEU 158 CO 0.05 -0.54 0.00 0.61 0.23 0.00 0.00 176.35 176.70 1vba n GLY 159 N 0.81 0.97 0.35 -3.19 0.00 -1.26 -4.61 105.19 98.27 1vba n GLY 159 Ca 0.01 -0.45 -0.01 0.00 0.00 0.00 0.00 46.02 45.58 1vba n GLY 159 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1vba h LEU 160 N 0.00 0.94 -8.79 0.99 3.38 -1.98 -3.33 115.31 106.52 1vba h LEU 160 Ca 0.00 -0.04 -0.56 0.00 0.09 0.00 0.00 57.88 57.37 1vba h LEU 160 Cb 0.00 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.45 1vba h LEU 160 CO 0.00 0.70 0.97 -1.10 0.09 0.00 0.00 178.44 179.10 1vba s GLN 161 N -5.87 3.72 0.56 1.13 -1.52 -1.26 -4.87 119.66 111.55 1vba s GLN 161 Ca -0.11 0.80 0.34 0.00 -1.95 0.00 0.00 55.36 54.43 1vba s GLN 161 Cb 0.18 -3.93 1.53 0.00 -0.22 0.00 0.00 33.01 30.57 1vba s GLN 161 CO 0.79 -1.38 2.05 0.66 -0.25 0.00 0.00 175.29 177.17 1vba h SER 162 N 9.63 0.00 -3.34 5.90 4.64 -1.95 -3.46 113.55 124.96 1vba h SER 162 Ca -0.25 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.54 1vba h SER 162 Cb 1.08 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.00 1vba h SER 162 CO 1.10 0.03 -0.78 -0.44 -0.87 0.00 0.00 176.83 175.87 1vba s SER 163 N -5.69 2.83 0.02 4.97 0.01 -1.26 -2.05 113.70 112.52 1vba s SER 163 Ca -0.00 -0.90 0.04 0.00 1.31 0.00 0.00 55.95 56.40 1vba s SER 163 Cb 0.10 -0.18 -0.02 0.00 0.21 0.00 0.00 66.02 66.14 1vba s SER 163 CO 0.53 -0.03 -0.13 0.00 0.41 0.00 0.00 173.24 174.03 1vba s THR 165 N -0.62 2.28 -0.26 0.00 2.01 -1.26 -0.83 115.64 116.96 1vba s THR 165 Ca 0.02 -0.90 -0.09 0.00 0.31 0.00 0.00 61.69 61.03 1vba s THR 165 Cb -0.06 -1.93 -0.04 0.00 0.01 0.00 0.00 72.50 70.48 1vba s THR 165 CO 0.00 0.54 0.11 -0.32 -0.69 0.00 0.00 174.62 174.26 1vba s MET 166 N 0.84 3.79 -0.09 4.92 1.75 -0.05 -4.99 119.30 125.47 1vba s MET 166 Ca -0.06 -0.41 -0.22 0.00 -1.25 0.00 0.00 55.69 53.75 1vba s MET 166 Cb -0.15 -3.44 -0.04 0.00 2.84 0.00 0.00 34.83 34.04 1vba s MET 166 CO -0.02 -0.15 0.65 0.08 -0.65 0.00 0.00 175.02 174.93 1vba s VAL 167 N 1.58 5.08 -0.62 10.11 1.01 -1.26 -0.68 120.40 135.62 1vba s VAL 167 Ca 0.06 1.32 -0.20 0.00 0.00 0.00 0.00 61.98 63.16 1vba s VAL 167 Cb -0.15 -3.98 0.09 0.00 0.00 0.00 0.00 36.38 32.34 1vba s VAL 167 CO 0.06 0.26 0.79 -0.69 0.00 0.00 0.00 175.10 175.52 1vba s VAL 168 N 0.82 4.66 0.41 2.92 1.01 0.11 -4.98 120.40 125.34 1vba s VAL 168 Ca 0.34 -0.80 -0.26 0.00 0.00 0.00 0.00 61.98 61.27 1vba s VAL 168 Cb -0.17 -4.56 -0.09 0.00 0.00 0.00 0.00 36.38 31.57 1vba s VAL 168 CO 0.16 -1.24 1.33 -2.16 0.00 0.00 0.00 175.10 173.19 1vba s PRO 169 N 3.13 3.92 -0.58 2.72 0.04 -1.26 -1.86 135.00 141.12 1vba s PRO 169 Ca 0.15 2.22 -0.26 0.00 0.04 0.00 0.00 61.00 63.15 1vba s PRO 169 Cb -0.22 -2.75 -0.08 0.00 0.04 0.00 0.00 34.50 31.49 1vba s PRO 169 CO 0.07 -0.55 2.36 -0.46 0.04 0.00 0.00 177.00 178.47 1vba s TRP 170 N -1.24 1.14 -0.33 0.56 -0.11 -1.26 -4.89 118.94 112.80 1vba s TRP 170 Ca 0.57 1.61 0.04 0.00 1.22 0.00 0.00 56.10 59.54 1vba s TRP 170 Cb -0.39 -3.59 0.10 0.00 -1.50 0.00 0.00 33.47 28.09 1vba s TRP 170 CO 0.51 -2.26 0.04 0.42 -4.62 0.00 0.00 176.95 171.03 1vba s ILE 171 N 12.62 2.30 0.04 5.86 1.01 -1.26 -5.00 121.20 136.77 1vba s ILE 171 Ca 0.94 -2.27 -0.02 0.00 0.00 0.00 0.00 60.65 59.30 1vba s ILE 171 Cb -0.15 -2.67 -0.03 0.00 0.01 0.00 0.00 42.46 39.62 1vba s ILE 171 CO 0.21 -0.55 0.00 -0.55 0.00 0.00 0.00 174.94 174.05 1vba s SER 172 N 0.95 0.33 -0.06 3.58 0.15 -1.26 -4.93 113.70 112.47 1vba s SER 172 Ca 0.09 -0.73 -0.19 0.00 0.70 0.00 0.00 55.95 55.81 1vba s SER 172 Cb -0.19 0.18 -0.31 0.00 -1.71 0.00 0.00 66.02 63.99 1vba s SER 172 CO -0.08 -0.49 0.80 -0.55 1.20 0.00 0.00 173.24 174.12 1vba h ASN 173 N 3.72 0.49 -3.99 5.45 -1.07 -1.95 -3.47 115.58 114.75 1vba h ASN 173 Ca -0.33 -0.92 -0.47 0.00 0.07 0.00 0.00 56.30 54.65 1vba h ASN 173 Cb 1.17 -0.16 0.00 0.00 -2.07 0.00 0.00 38.32 37.27 1vba h ASN 173 CO 0.55 1.51 0.27 0.68 0.07 0.00 0.00 177.43 180.50 1vba s VAL 174 N -2.46 4.59 0.25 6.14 -7.23 -1.26 -4.98 120.40 115.44 1vba s VAL 174 Ca -0.15 1.09 0.11 0.00 -1.81 0.00 0.00 61.98 61.22 1vba s VAL 174 Cb 0.02 -3.69 -0.03 0.00 0.56 0.00 0.00 36.38 33.25 1vba s VAL 174 CO 0.82 -0.52 1.60 0.71 -0.31 0.00 0.00 175.10 177.40 1vba h THR 175 N 1.26 1.41 -3.39 5.32 1.35 -1.98 -3.42 112.91 113.47 1vba h THR 175 Ca -0.47 -2.16 -0.42 0.00 -0.55 0.00 0.00 66.41 62.80 1vba h THR 175 Cb 1.18 2.18 -0.35 0.00 -1.73 0.00 0.00 68.15 69.43 1vba h THR 175 CO 0.62 0.61 -0.77 -0.31 -0.25 0.00 0.00 175.52 175.42 1vba s TYR 176 N -3.54 0.77 0.66 4.73 1.51 -1.26 -4.79 117.35 115.41 1vba s TYR 176 Ca -0.01 -0.23 -0.08 0.00 -1.01 0.00 0.00 57.07 55.74 1vba s TYR 176 Cb 0.12 -0.73 0.02 0.00 -0.11 0.00 0.00 41.96 41.26 1vba s TYR 176 CO 0.76 -0.25 1.00 1.03 -1.11 0.00 0.00 175.55 176.98 1vba s ARG 177 N 1.24 2.76 0.35 -0.62 0.52 0.63 -4.86 118.95 118.97 1vba s ARG 177 Ca -0.06 0.13 -0.13 0.00 -0.52 0.00 0.00 55.73 55.16 1vba s ARG 177 Cb -0.14 -2.16 -0.08 0.00 0.52 0.00 0.00 34.95 33.10 1vba s ARG 177 CO -0.02 -0.93 0.74 -0.65 0.02 0.00 0.00 175.30 174.46 1vba s GLN 178 N -5.18 3.89 0.22 3.54 -0.21 -1.26 -0.78 119.66 119.88 1vba s GLN 178 Ca 0.57 0.55 0.12 0.00 0.02 0.00 0.00 55.36 56.61 1vba s GLN 178 Cb -0.11 -2.43 -0.01 0.00 1.00 0.00 0.00 33.01 31.47 1vba s GLN 178 CO 0.48 0.08 1.40 1.79 -2.12 0.00 0.00 175.29 176.91 1vba h THR 179 N 1.57 1.21 -4.54 -0.19 1.35 -1.31 -3.43 112.91 107.56 1vba h THR 179 Ca -0.47 -2.65 -0.48 0.00 -0.55 0.00 0.00 66.41 62.25 1vba h THR 179 Cb 1.18 2.56 0.09 0.00 -1.73 0.00 0.00 68.15 70.25 1vba h THR 179 CO 0.65 0.68 0.41 0.42 -0.25 0.00 0.00 175.52 177.43 1vba s THR 180 N -2.91 2.85 0.23 6.82 -4.23 -1.26 -3.68 115.64 113.47 1vba s THR 180 Ca 0.03 0.28 -0.30 0.00 -1.18 0.00 0.00 61.69 60.51 1vba s THR 180 Cb 0.09 -3.27 -0.10 0.00 1.34 0.00 0.00 72.50 70.56 1vba s THR 180 CO 0.77 -0.36 1.38 -1.58 -0.54 0.00 0.00 174.62 174.29 1vba s GLN 181 N -5.45 4.32 -0.30 3.99 2.00 -1.26 -4.98 119.66 117.98 1vba s GLN 181 Ca 0.60 2.20 -0.12 0.00 -2.00 0.00 0.00 55.36 56.04 1vba s GLN 181 Cb -0.11 -3.14 0.17 0.00 0.80 0.00 0.00 33.01 30.73 1vba s GLN 181 CO 0.51 -0.35 0.92 0.34 -0.50 0.00 0.00 175.29 176.21 1vba s ASP 182 N 0.35 -0.72 0.37 6.67 -1.08 -1.26 -5.06 116.67 115.94 1vba s ASP 182 Ca 0.58 0.70 0.14 0.00 -0.52 0.00 0.00 52.55 53.45 1vba s ASP 182 Cb -0.40 1.70 0.97 0.00 -1.46 0.00 0.00 42.92 43.73 1vba s ASP 182 CO 0.41 -0.14 1.79 0.28 0.52 0.00 0.00 175.17 178.04 1vba h SER 183 N 7.78 0.56 -0.59 -0.34 0.02 -1.99 -1.17 113.55 117.81 1vba h SER 183 Ca -0.16 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1vba h SER 183 Cb 1.14 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.63 1vba h SER 183 CO 0.06 0.17 0.38 0.15 -1.14 0.00 0.00 176.83 176.44 1vba h PHE 184 N 0.53 0.77 -0.28 3.45 3.57 -2.01 -3.05 116.94 119.91 1vba h PHE 184 Ca 0.56 0.01 -0.15 0.00 3.53 0.00 0.00 57.97 61.92 1vba h PHE 184 Cb 1.21 -0.26 -0.09 0.00 2.79 0.00 0.00 35.95 39.60 1vba h PHE 184 CO -0.00 0.50 -0.19 0.25 -2.23 0.00 0.00 178.31 176.64 1vba n THR 185 N -4.43 2.49 -2.04 4.41 -2.24 -0.48 -4.96 114.28 107.03 1vba n THR 185 Ca 0.06 -2.92 -0.36 0.00 -2.27 0.00 0.00 64.05 58.56 1vba n THR 185 Cb 0.06 -0.32 0.03 0.00 -2.10 0.00 0.00 70.33 67.99 1vba n THR 185 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1vba s GLU 186 N -3.27 3.04 0.01 -0.78 -1.05 -0.98 -4.49 118.70 111.19 1vba s GLU 186 Ca 0.43 1.82 0.22 0.00 -0.15 0.00 0.00 54.97 57.30 1vba s GLU 186 Cb 0.40 -1.97 -0.08 0.00 -0.44 0.00 0.00 34.13 32.05 1vba s GLU 186 CO -0.02 -1.15 0.96 0.41 0.95 0.00 0.00 175.26 176.41 1vba n GLY 187 N 0.49 -1.08 0.00 -3.83 0.00 -1.22 -4.76 105.19 94.79 1vba n GLY 187 Ca 0.13 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.63 1vba n GLY 187 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vba n GLY 188 N 1.45 -1.54 3.15 -0.02 0.00 -1.26 -4.30 105.19 102.67 1vba n GLY 188 Ca 0.03 -2.07 -0.24 0.00 0.00 0.00 0.00 46.02 43.74 1vba n GLY 188 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1vba s TYR 189 N 0.00 1.51 -0.12 1.61 2.02 0.11 -0.47 117.35 122.01 1vba s TYR 189 Ca 0.00 -0.29 0.00 0.00 -0.37 0.00 0.00 57.07 56.41 1vba s TYR 189 Cb 0.00 -0.97 -0.02 0.00 -0.40 0.00 0.00 41.96 40.57 1vba s TYR 189 CO 0.00 -0.03 -0.12 0.42 -1.57 0.00 0.00 175.55 174.25 1vba s ILE 190 N -0.38 3.16 0.03 2.71 1.01 0.40 -0.43 121.20 127.69 1vba s ILE 190 Ca 0.06 -0.64 -0.01 0.00 0.00 0.00 0.00 60.65 60.06 1vba s ILE 190 Cb -0.07 -2.32 -0.02 0.00 0.01 0.00 0.00 42.46 40.07 1vba s ILE 190 CO -0.01 0.53 -0.01 -0.94 0.00 0.00 0.00 174.94 174.52 1vba s SER 191 N 0.14 0.28 -0.01 3.58 1.04 -0.50 -0.74 113.70 117.50 1vba s SER 191 Ca -0.06 -0.61 0.05 0.00 0.48 0.00 0.00 55.95 55.80 1vba s SER 191 Cb -0.15 0.14 -0.01 0.00 0.10 0.00 0.00 66.02 66.10 1vba s SER 191 CO 0.05 -0.40 -0.15 -0.32 0.98 0.00 0.00 173.24 173.40 1vba s MET 192 N -2.20 1.17 0.04 4.02 1.75 -0.65 -0.65 119.30 122.78 1vba s MET 192 Ca -0.09 -0.55 -0.00 0.00 -1.25 0.00 0.00 55.69 53.79 1vba s MET 192 Cb -0.04 -1.14 -0.03 0.00 2.84 0.00 0.00 34.83 36.45 1vba s MET 192 CO -0.04 0.31 -0.03 -0.06 -0.65 0.00 0.00 175.02 174.55 1vba s PHE 193 N -0.39 0.43 0.03 4.11 0.08 -0.08 -0.55 117.98 121.61 1vba s PHE 193 Ca 0.05 -0.80 -0.30 0.00 0.12 0.00 0.00 56.93 56.00 1vba s PHE 193 Cb -0.06 -0.31 -0.05 0.00 -0.57 0.00 0.00 43.02 42.03 1vba s PHE 193 CO -0.00 -0.27 1.17 0.71 -0.10 0.00 0.00 175.22 176.73 1vba s TYR 194 N -2.73 3.41 -0.07 0.36 2.02 -1.26 -0.62 117.35 118.46 1vba s TYR 194 Ca -0.03 1.33 -0.05 0.00 -0.37 0.00 0.00 57.07 57.95 1vba s TYR 194 Cb -0.01 -3.38 -0.27 0.00 -0.40 0.00 0.00 41.96 37.90 1vba s TYR 194 CO -0.05 -1.13 0.57 0.37 -1.57 0.00 0.00 175.55 173.74 1vba h GLN 195 N 6.93 0.26 0.00 -0.62 5.75 -0.92 -3.44 115.11 123.08 1vba h GLN 195 Ca -0.40 -0.45 0.00 0.00 -0.15 0.00 0.00 58.65 57.65 1vba h GLN 195 Cb 1.20 0.17 0.00 0.00 1.07 0.00 0.00 27.48 29.92 1vba h GLN 195 CO 0.82 1.13 0.00 0.25 -2.65 0.00 0.00 178.83 178.38 1vba n THR 196 N -3.45 0.00 -3.64 2.39 -2.24 -0.95 -5.00 114.28 101.40 1vba n THR 196 Ca -0.25 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.47 1vba n THR 196 Cb 1.06 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 69.27 1vba n THR 196 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vba s ARG 197 N 1.57 1.04 0.04 -0.78 1.70 -1.26 -4.91 118.95 116.35 1vba s ARG 197 Ca 0.00 -0.50 -0.31 0.00 -0.47 0.00 0.00 55.73 54.45 1vba s ARG 197 Cb 0.00 0.40 -0.07 0.00 -0.57 0.00 0.00 34.95 34.72 1vba s ARG 197 CO 0.00 -0.47 1.45 0.42 -1.08 0.00 0.00 175.30 175.62 1vba s ILE 198 N -3.24 3.49 -0.12 4.99 -1.09 -1.26 -4.18 121.20 119.79 1vba s ILE 198 Ca 0.09 0.94 0.02 0.00 -2.23 0.00 0.00 60.65 59.47 1vba s ILE 198 Cb -0.01 -3.60 0.01 0.00 -1.58 0.00 0.00 42.46 37.27 1vba s ILE 198 CO -0.03 0.02 -0.18 -0.69 -1.23 0.00 0.00 174.94 172.82 1vba s VAL 199 N 2.14 1.75 0.32 2.92 1.01 -0.48 -4.34 120.40 123.72 1vba s VAL 199 Ca 0.66 -0.80 0.11 0.00 0.00 0.00 0.00 61.98 61.94 1vba s VAL 199 Cb -0.34 -1.57 -0.06 0.00 0.00 0.00 0.00 36.38 34.41 1vba s VAL 199 CO 0.28 0.49 -0.14 0.68 0.00 0.00 0.00 175.10 176.42 1vba s VAL 200 N 0.87 2.35 0.52 2.92 -7.23 -1.26 -1.03 120.40 117.53 1vba s VAL 200 Ca -0.08 -2.29 -0.05 0.00 -1.81 0.00 0.00 61.98 57.75 1vba s VAL 200 Cb -0.15 -2.50 0.11 0.00 0.56 0.00 0.00 36.38 34.40 1vba s VAL 200 CO -0.01 -0.29 0.70 -0.81 -0.31 0.00 0.00 175.10 174.39 1vba n PRO 201 N -0.72 -0.30 -1.06 4.82 -0.04 -1.26 -5.07 135.00 131.37 1vba n PRO 201 Ca -0.05 -1.45 -0.29 0.00 -0.04 0.00 0.00 63.50 61.68 1vba n PRO 201 Cb 0.62 -0.61 0.19 0.00 -0.04 0.00 0.00 33.50 33.65 1vba n PRO 201 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1vba s LEU 202 N 0.00 1.53 -1.56 1.53 1.43 -1.26 -3.74 118.68 116.62 1vba s LEU 202 Ca 0.43 1.28 0.00 0.00 -1.03 0.00 0.00 54.13 54.81 1vba s LEU 202 Cb -0.02 -3.44 0.00 0.00 0.03 0.00 0.00 46.19 42.76 1vba s LEU 202 CO 0.29 -3.28 0.00 -1.20 0.23 0.00 0.00 176.35 172.39 1vba n SER 203 N -4.28 -4.80 -4.27 2.29 7.64 -1.26 -4.95 113.62 103.98 1vba n SER 203 Ca 0.05 0.36 -0.30 0.00 1.01 0.00 0.00 58.87 59.99 1vba n SER 203 Cb 0.56 -4.03 -0.16 0.00 -1.01 0.00 0.00 64.21 59.58 1vba n SER 203 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1vba s THR 204 N -2.22 1.92 0.07 0.44 2.01 -1.24 -5.11 115.64 111.51 1vba s THR 204 Ca 0.00 -1.03 -0.34 0.00 0.31 0.00 0.00 61.69 60.63 1vba s THR 204 Cb 0.00 -1.61 -0.13 0.00 0.01 0.00 0.00 72.50 70.77 1vba s THR 204 CO 0.00 0.54 1.67 -2.65 -0.69 0.00 0.00 174.62 173.49 1vba n PRO 205 N 2.62 2.09 0.00 4.92 -0.02 -1.26 -4.89 135.00 138.46 1vba n PRO 205 Ca -0.16 0.76 0.14 0.00 -2.02 0.00 0.00 63.50 62.22 1vba n PRO 205 Cb 0.52 -2.55 0.65 0.00 -0.02 0.00 0.00 33.50 32.10 1vba n PRO 205 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1vba n LYS 206 N 4.49 0.27 -4.26 -0.52 5.02 -1.26 -4.84 118.16 117.06 1vba n LYS 206 Ca 0.19 -0.03 -0.18 0.00 -2.02 0.00 0.00 58.31 56.27 1vba n LYS 206 Cb 0.28 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.66 1vba n LYS 206 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1vba s SER 207 N -2.75 1.21 0.16 4.39 0.01 -1.26 -1.30 113.70 114.16 1vba s SER 207 Ca 0.22 -0.37 -0.24 0.00 1.31 0.00 0.00 55.95 56.87 1vba s SER 207 Cb 0.20 -0.07 0.06 0.00 0.21 0.00 0.00 66.02 66.42 1vba s SER 207 CO 0.51 -0.00 0.77 0.00 0.41 0.00 0.00 173.24 174.92 1vba s MET 208 N -0.90 1.32 0.15 12.44 0.23 -0.16 -4.99 119.30 127.38 1vba s MET 208 Ca -0.01 -0.62 -0.10 0.00 -1.03 0.00 0.00 55.69 53.93 1vba s MET 208 Cb -0.07 0.52 -0.06 0.00 -1.53 0.00 0.00 34.83 33.69 1vba s MET 208 CO 0.01 -0.59 0.47 -1.12 -2.03 0.00 0.00 175.02 171.75 1vba s SER 209 N -2.78 6.64 -0.15 -1.18 0.01 -1.26 -0.11 113.70 114.86 1vba s SER 209 Ca 0.07 0.85 0.01 0.00 1.31 0.00 0.00 55.95 58.19 1vba s SER 209 Cb -0.02 -2.20 0.01 0.00 0.21 0.00 0.00 66.02 64.02 1vba s SER 209 CO -0.03 0.06 -0.19 -0.32 0.41 0.00 0.00 173.24 173.17 1vba s MET 210 N -2.34 3.10 -0.03 12.44 0.00 0.21 -0.93 119.30 131.75 1vba s MET 210 Ca 0.40 -0.81 -0.08 0.00 0.00 0.00 0.00 55.69 55.20 1vba s MET 210 Cb -0.13 -2.53 -0.05 0.00 0.00 0.00 0.00 34.83 32.12 1vba s MET 210 CO 0.20 -0.03 0.26 -0.51 0.00 0.00 0.00 175.02 174.95 1vba s LEU 211 N 0.88 4.40 0.07 4.11 1.43 -0.68 -1.60 118.68 127.29 1vba s LEU 211 Ca -0.05 0.61 0.09 0.00 -1.03 0.00 0.00 54.13 53.75 1vba s LEU 211 Cb -0.15 -2.48 -0.03 0.00 0.03 0.00 0.00 46.19 43.55 1vba s LEU 211 CO -0.02 0.31 -0.21 -0.83 0.23 0.00 0.00 176.35 175.83 1vba s GLY 212 N -1.38 1.57 0.03 -3.19 0.00 -1.26 -0.68 107.32 102.41 1vba s GLY 212 Ca 0.23 -1.29 0.04 0.00 0.00 0.00 0.00 44.72 43.70 1vba s GLY 212 CO 0.12 -1.22 -0.12 -1.36 0.00 0.00 0.00 173.10 170.52 1vba s PHE 213 N -0.97 1.05 0.00 1.90 0.40 0.10 -0.50 117.98 119.96 1vba s PHE 213 Ca 0.15 -0.33 0.02 0.00 -0.60 0.00 0.00 56.93 56.16 1vba s PHE 213 Cb -0.10 -0.63 -0.01 0.00 0.51 0.00 0.00 43.02 42.79 1vba s PHE 213 CO 0.06 0.01 -0.07 0.54 0.70 0.00 0.00 175.22 176.46 1vba s VAL 214 N -0.80 0.53 0.13 -0.44 0.11 -0.83 -0.66 120.40 118.44 1vba s VAL 214 Ca 0.00 -0.36 -0.19 0.00 -2.93 0.00 0.00 61.98 58.51 1vba s VAL 214 Cb -0.07 -0.46 0.05 0.00 -1.53 0.00 0.00 36.38 34.37 1vba s VAL 214 CO 0.01 0.10 0.47 -0.94 -3.33 0.00 0.00 175.10 171.40 1vba s SER 215 N -0.30 -0.35 0.11 3.54 1.04 -0.85 -2.92 113.70 113.98 1vba s SER 215 Ca 0.01 -0.19 -0.28 0.00 0.48 0.00 0.00 55.95 55.97 1vba s SER 215 Cb -0.03 0.51 -0.06 0.00 0.10 0.00 0.00 66.02 66.54 1vba s SER 215 CO -0.00 -0.88 0.89 0.00 0.98 0.00 0.00 173.24 174.23 1vba s ALA 216 N -3.69 3.30 0.75 5.32 0.00 -0.02 -0.80 121.76 126.62 1vba s ALA 216 Ca 0.02 0.48 -0.11 0.00 0.00 0.00 0.00 51.96 52.35 1vba s ALA 216 Cb 0.01 -3.17 0.04 0.00 0.00 0.00 0.00 23.12 20.00 1vba s ALA 216 CO -0.12 0.05 1.09 0.00 0.00 0.00 0.00 175.76 176.78 1vba n ASN 218 N -3.33 0.00 -0.76 0.00 2.04 -1.26 -1.91 115.26 110.04 1vba n ASN 218 Ca 0.09 0.07 0.13 0.00 -0.44 0.00 0.00 54.58 54.42 1vba n ASN 218 Cb 0.53 -0.08 0.26 0.00 -2.53 0.00 0.00 39.78 37.96 1vba n ASN 218 CO 0.00 0.00 0.00 -0.90 -0.44 0.00 0.00 177.26 175.92 1vba n ASP 219 N -1.08 2.38 -4.72 0.53 5.75 -1.26 -4.98 116.55 113.17 1vba n ASP 219 Ca 0.00 -1.78 -0.42 0.00 -0.01 0.00 0.00 54.79 52.58 1vba n ASP 219 Cb 0.00 0.01 -0.03 0.00 -1.03 0.00 0.00 41.12 40.07 1vba n ASP 219 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1vba s PHE 220 N -2.02 3.58 0.14 2.11 2.19 -0.80 -4.44 117.98 118.75 1vba s PHE 220 Ca 0.32 1.54 -0.04 0.00 0.33 0.00 0.00 56.93 59.07 1vba s PHE 220 Cb 0.20 -3.26 -0.03 0.00 -1.31 0.00 0.00 43.02 38.62 1vba s PHE 220 CO 0.32 -0.61 0.15 -1.54 1.83 0.00 0.00 175.22 175.37 1vba s SER 221 N 0.57 0.20 0.06 6.13 1.04 0.50 -4.98 113.70 117.22 1vba s SER 221 Ca 0.53 -1.06 0.01 0.00 0.48 0.00 0.00 55.95 55.90 1vba s SER 221 Cb -0.27 0.35 -0.04 0.00 0.10 0.00 0.00 66.02 66.17 1vba s SER 221 CO 0.31 -0.79 -0.05 0.68 0.98 0.00 0.00 173.24 174.36 1vba s VAL 222 N -4.01 0.44 0.21 5.02 -7.23 -1.26 -1.42 120.40 112.15 1vba s VAL 222 Ca 0.21 -1.63 -0.15 0.00 -1.81 0.00 0.00 61.98 58.60 1vba s VAL 222 Cb 0.06 -1.28 0.01 0.00 0.56 0.00 0.00 36.38 35.73 1vba s VAL 222 CO 0.01 -0.79 0.48 0.00 -0.31 0.00 0.00 175.10 174.49 1vba s ARG 223 N -3.21 1.43 -0.26 4.82 1.70 -0.53 -5.01 118.95 117.88 1vba s ARG 223 Ca 0.03 -1.06 -0.05 0.00 -0.47 0.00 0.00 55.73 54.18 1vba s ARG 223 Cb 0.02 0.49 0.01 0.00 -0.57 0.00 0.00 34.95 34.89 1vba s ARG 223 CO -0.05 -0.60 0.19 -0.11 -1.08 0.00 0.00 175.30 173.65 1vba n LEU 224 N -0.34 -6.34 -4.70 -1.89 0.00 -1.26 -1.33 117.00 101.14 1vba n LEU 224 Ca -0.06 0.76 -0.44 0.00 0.00 0.00 0.00 56.01 56.27 1vba n LEU 224 Cb 0.62 -2.72 -0.03 0.00 0.00 0.00 0.00 43.42 41.29 1vba n LEU 224 CO 0.20 -2.06 1.20 -0.11 0.00 0.00 0.00 177.39 176.62 1vba n LEU 225 N 0.13 3.62 -3.96 -1.96 7.94 -1.26 -0.60 117.00 120.91 1vba n LEU 225 Ca 0.04 1.11 -0.10 0.00 -1.11 0.00 0.00 56.01 55.95 1vba n LEU 225 Cb 0.14 -1.50 -0.07 0.00 0.53 0.00 0.00 43.42 42.52 1vba n LEU 225 CO 0.33 -0.12 0.01 0.00 -1.11 0.00 0.00 177.39 176.50 1vba s ARG 226 N 0.27 1.21 0.29 1.96 1.70 0.29 -4.87 118.95 119.80 1vba s ARG 226 Ca 0.71 -1.18 -0.28 0.00 -0.47 0.00 0.00 55.73 54.52 1vba s ARG 226 Cb -0.59 0.39 -0.09 0.00 -0.57 0.00 0.00 34.95 34.09 1vba s ARG 226 CO 0.42 -0.45 0.97 -0.51 -1.08 0.00 0.00 175.30 174.65 1vba s ASP 227 N -2.97 7.40 0.33 -2.89 1.01 -1.26 -4.43 116.67 113.85 1vba s ASP 227 Ca 0.18 1.96 -0.24 0.00 0.71 0.00 0.00 52.55 55.16 1vba s ASP 227 Cb 0.03 -2.60 -0.10 0.00 1.01 0.00 0.00 42.92 41.26 1vba s ASP 227 CO 0.01 -0.03 0.90 0.28 0.21 0.00 0.00 175.17 176.55 1vba s THR 228 N -1.38 4.32 -1.86 -1.27 -1.32 -1.23 -4.85 115.64 108.05 1vba s THR 228 Ca 0.46 1.64 0.30 0.00 -1.21 0.00 0.00 61.69 62.88 1vba s THR 228 Cb -0.24 -3.89 0.60 0.00 -1.51 0.00 0.00 72.50 67.46 1vba s THR 228 CO 0.30 0.05 1.96 0.35 -2.21 0.00 0.00 174.62 175.07 1vba n THR 229 N 0.32 0.00 1.59 5.08 -2.24 -1.26 -4.28 114.28 113.49 1vba n THR 229 Ca 0.02 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1vba n THR 229 Cb 0.51 -0.14 0.01 0.00 -2.10 0.00 0.00 70.33 68.61 1vba n THR 229 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1vba n HIS 230 N -0.81 0.04 -3.55 4.78 8.25 -1.26 -4.81 115.22 117.86 1vba n HIS 230 Ca 0.18 -0.02 -0.15 0.00 -0.26 0.00 0.00 57.72 57.47 1vba n HIS 230 Cb 0.24 -0.04 -0.06 0.00 1.12 0.00 0.00 29.99 31.26 1vba n HIS 230 CO 0.00 0.00 0.00 -1.50 0.64 0.00 0.00 176.34 175.48 1vba s ILE 231 N -1.66 0.00 0.29 1.59 1.10 -1.26 -5.19 121.20 116.07 1vba s ILE 231 Ca 0.02 0.00 -0.20 0.00 -0.51 0.00 0.00 60.65 59.96 1vba s ILE 231 Cb 0.01 -1.00 0.05 0.00 0.15 0.00 0.00 42.46 41.67 1vba s ILE 231 CO 0.01 0.00 0.82 -0.94 -2.11 0.00 0.00 174.94 172.72 1vba s SER 232 N -1.07 -0.11 -0.00 4.50 1.04 -1.26 -4.99 113.70 111.81 1vba s SER 232 Ca -0.07 -0.80 -0.04 0.00 0.48 0.00 0.00 55.95 55.52 1vba s SER 232 Cb -0.00 0.72 -0.00 0.00 0.10 0.00 0.00 66.02 66.83 1vba s SER 232 CO 0.06 -1.38 0.07 0.00 0.98 0.00 0.00 173.24 172.97 1vba s GLN 233 N -2.97 0.31 0.55 4.02 -2.07 -1.26 -5.16 119.66 113.08 1vba s GLN 233 Ca 0.14 -0.31 -0.17 0.00 -1.82 0.00 0.00 55.36 53.20 1vba s GLN 233 Cb -0.05 0.13 -0.06 0.00 -1.09 0.00 0.00 33.01 31.94 1vba s GLN 233 CO 0.08 -0.06 1.03 -1.12 -1.32 0.00 0.00 175.29 173.90 1vba s SER 234 N -0.97 6.15 0.00 12.60 0.01 -1.26 -5.35 113.70 124.88 1vba s SER 234 Ca -0.11 1.76 0.00 0.00 1.31 0.00 0.00 55.95 58.91 1vba s SER 234 Cb -0.06 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.64 1vba s SER 234 CO 0.00 -0.91 0.00 0.00 0.41 0.00 0.00 173.24 172.74