#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vvi s HIS 0 N 0.00 -0.23 0.02 1.57 -3.43 -1.26 -5.15 115.29 106.81 2vvi s HIS 0 Ca 0.00 -0.18 -0.30 0.00 -0.80 0.00 0.00 55.06 53.78 2vvi s HIS 0 Cb 0.00 0.68 -0.04 0.00 -1.43 0.00 0.00 32.58 31.79 2vvi s HIS 0 CO 0.00 -1.14 1.04 -1.64 -2.00 0.00 0.00 174.74 171.00 2vvi s MET 1 N -3.82 4.52 0.28 -0.38 1.00 -1.26 -4.97 119.30 114.68 2vvi s MET 1 Ca 0.10 1.52 0.15 0.00 0.00 0.00 0.00 55.69 57.46 2vvi s MET 1 Cb -0.05 -3.43 0.22 0.00 0.00 0.00 0.00 34.83 31.57 2vvi s MET 1 CO 0.04 -0.11 1.51 0.66 0.00 0.00 0.00 175.02 177.12 2vvi h SER 2 N 6.80 0.00 -0.27 3.03 4.64 -1.82 -3.41 113.55 122.53 2vvi h SER 2 Ca -0.41 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 60.79 2vvi h SER 2 Cb 1.22 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.26 2vvi h SER 2 CO 0.77 0.54 -0.10 0.00 -0.87 0.00 0.00 176.83 177.16 2vvi n ALA 3 N -2.27 -0.09 -2.67 5.18 0.00 -1.26 -2.00 120.51 117.40 2vvi n ALA 3 Ca 0.01 0.09 -0.43 0.00 0.00 0.00 0.00 53.44 53.11 2vvi n ALA 3 Cb 0.69 -1.16 -0.02 0.00 0.00 0.00 0.00 19.45 18.96 2vvi n ALA 3 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2vvi s ILE 4 N -1.87 4.73 0.35 0.00 1.01 -1.26 -5.00 121.20 119.16 2vvi s ILE 4 Ca 0.00 2.01 -0.03 0.00 0.00 0.00 0.00 60.65 62.63 2vvi s ILE 4 Cb 0.00 -4.30 -0.04 0.00 0.01 0.00 0.00 42.46 38.13 2vvi s ILE 4 CO 0.00 -0.10 0.60 -0.54 0.00 0.00 0.00 174.94 174.90 2vvi s LYS 5 N 2.68 3.56 0.53 2.79 1.02 -1.26 -5.00 119.74 124.06 2vvi s LYS 5 Ca 0.45 -0.07 0.20 0.00 0.02 0.00 0.00 55.97 56.57 2vvi s LYS 5 Cb -0.16 -2.59 1.38 0.00 -0.52 0.00 0.00 37.83 35.93 2vvi s LYS 5 CO 0.11 0.10 2.15 -1.35 -0.92 0.00 0.00 175.35 175.44 2vvi h PRO 6 N 1.05 0.00 -4.33 -1.68 0.11 -1.96 -3.40 132.00 121.78 2vvi h PRO 6 Ca -0.48 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.07 2vvi h PRO 6 Cb 1.20 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 31.94 2vvi h PRO 6 CO 0.63 0.03 -0.81 -0.51 -0.21 0.00 0.00 178.00 177.14 2vvi s ASP 7 N -6.79 2.56 0.11 -2.05 1.01 -1.26 -3.97 116.67 106.28 2vvi s ASP 7 Ca -0.05 -0.48 0.08 0.00 0.71 0.00 0.00 52.55 52.82 2vvi s ASP 7 Cb 0.16 -0.97 -0.04 0.00 1.01 0.00 0.00 42.92 43.09 2vvi s ASP 7 CO 0.64 -0.12 -0.21 -0.04 0.21 0.00 0.00 175.17 175.64 2vvi s MET 8 N 1.62 1.16 0.20 8.23 -1.94 -0.63 -4.99 119.30 122.94 2vvi s MET 8 Ca 0.03 -1.20 -0.01 0.00 -1.71 0.00 0.00 55.69 52.80 2vvi s MET 8 Cb -0.14 -1.43 -0.04 0.00 2.01 0.00 0.00 34.83 35.23 2vvi s MET 8 CO -0.09 0.33 0.39 0.15 -0.01 0.00 0.00 175.02 175.79 2vvi s LYS 9 N -2.01 3.52 -0.11 2.03 1.02 0.13 -0.92 119.74 123.41 2vvi s LYS 9 Ca 0.08 -0.33 0.01 0.00 0.02 0.00 0.00 55.97 55.74 2vvi s LYS 9 Cb -0.10 -2.84 0.02 0.00 -0.52 0.00 0.00 37.83 34.40 2vvi s LYS 9 CO 0.05 0.40 -0.11 0.42 -0.92 0.00 0.00 175.35 175.19 2vvi s ILE 10 N -1.86 1.24 -0.13 2.17 1.01 -0.18 -0.97 121.20 122.48 2vvi s ILE 10 Ca 0.39 -0.45 -0.02 0.00 0.00 0.00 0.00 60.65 60.57 2vvi s ILE 10 Cb -0.11 -1.19 -0.02 0.00 0.01 0.00 0.00 42.46 41.14 2vvi s ILE 10 CO 0.29 0.40 -0.08 0.21 0.00 0.00 0.00 174.94 175.76 2vvi s ASN 11 N 1.38 4.44 -0.03 3.58 3.84 0.37 -1.13 114.94 127.38 2vvi s ASN 11 Ca 0.00 -0.20 -0.02 0.00 0.21 0.00 0.00 52.86 52.85 2vvi s ASN 11 Cb -0.13 -1.61 0.02 0.00 -0.55 0.00 0.00 41.25 38.97 2vvi s ASN 11 CO -0.06 0.20 0.07 -0.22 -2.79 0.00 0.00 177.10 174.30 2vvi s LEU 12 N 0.19 1.48 -0.10 3.21 0.20 -0.22 -1.26 118.68 122.18 2vvi s LEU 12 Ca -0.05 0.14 0.02 0.00 0.69 0.00 0.00 54.13 54.93 2vvi s LEU 12 Cb -0.14 0.20 0.02 0.00 -0.43 0.00 0.00 46.19 45.83 2vvi s LEU 12 CO 0.04 -0.06 -0.14 -0.60 -0.29 0.00 0.00 176.35 175.30 2vvi s ARG 13 N 0.37 2.07 -0.11 1.98 3.52 -0.37 0.12 118.95 126.53 2vvi s ARG 13 Ca -0.03 -0.50 -0.01 0.00 -0.13 0.00 0.00 55.73 55.06 2vvi s ARG 13 Cb -0.04 -1.79 -0.03 0.00 -1.56 0.00 0.00 34.95 31.54 2vvi s ARG 13 CO -0.01 -0.08 -0.07 1.41 -0.81 0.00 0.00 175.30 175.74 2vvi s MET 14 N 1.03 3.24 -0.02 5.12 -2.45 0.36 -0.95 119.30 125.63 2vvi s MET 14 Ca -0.06 -0.57 0.06 0.00 -1.25 0.00 0.00 55.69 53.87 2vvi s MET 14 Cb -0.15 -2.71 -0.01 0.00 1.25 0.00 0.00 34.83 33.21 2vvi s MET 14 CO -0.02 0.40 -0.20 -1.21 1.05 0.00 0.00 175.02 175.04 2vvi s GLU 15 N -0.10 1.72 0.02 4.11 2.02 -0.55 -0.70 118.70 125.23 2vvi s GLU 15 Ca 0.01 -0.73 -0.05 0.00 0.02 0.00 0.00 54.97 54.22 2vvi s GLU 15 Cb -0.13 -1.64 0.02 0.00 0.10 0.00 0.00 34.13 32.48 2vvi s GLU 15 CO 0.03 0.42 0.22 0.41 0.02 0.00 0.00 175.26 176.36 2vvi n GLY 16 N 2.65 0.96 3.25 -1.39 0.00 -0.62 -1.92 105.19 108.12 2vvi n GLY 16 Ca -0.16 -0.94 -0.05 0.00 0.00 0.00 0.00 46.02 44.88 2vvi n GLY 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2vvi s ASN 17 N -1.52 -0.50 -0.11 1.61 3.84 -0.29 -1.08 114.94 116.89 2vvi s ASN 17 Ca 0.05 0.93 0.03 0.00 0.21 0.00 0.00 52.86 54.08 2vvi s ASN 17 Cb -0.00 1.62 -0.01 0.00 -0.55 0.00 0.00 41.25 42.32 2vvi s ASN 17 CO 0.01 -0.25 -0.21 -0.69 -2.79 0.00 0.00 177.10 173.17 2vvi s VAL 18 N 2.70 2.37 -1.41 -5.21 1.01 -0.23 -0.99 120.40 118.64 2vvi s VAL 18 Ca 0.04 -0.91 -0.13 0.00 0.00 0.00 0.00 61.98 60.97 2vvi s VAL 18 Cb -0.13 -1.93 0.11 0.00 0.00 0.00 0.00 36.38 34.43 2vvi s VAL 18 CO -0.16 0.55 0.59 0.59 0.00 0.00 0.00 175.10 176.67 2vvi n ASN 19 N 3.47 -3.29 0.00 3.32 4.13 -0.08 -0.20 115.26 122.62 2vvi n ASN 19 Ca -0.19 -0.63 0.00 0.00 1.68 0.00 0.00 54.58 55.44 2vvi n ASN 19 Cb 0.53 -2.73 0.00 0.00 -1.54 0.00 0.00 39.78 36.04 2vvi n ASN 19 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2vvi n GLY 20 N -1.21 1.07 3.55 7.41 0.00 -1.26 -5.03 105.19 109.72 2vvi n GLY 20 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2vvi n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2vvi s HIS 21 N -3.18 3.21 0.22 1.61 3.76 0.72 -5.08 115.29 116.55 2vvi s HIS 21 Ca 0.00 0.00 -0.22 0.00 -0.15 0.00 0.00 55.06 54.69 2vvi s HIS 21 Cb 0.00 -2.66 -0.08 0.00 1.11 0.00 0.00 32.58 30.95 2vvi s HIS 21 CO 0.00 -0.42 0.76 -1.58 -0.85 0.00 0.00 174.74 172.66 2vvi s HIS 22 N 2.01 3.73 0.02 1.40 2.46 -1.26 -1.07 115.29 122.58 2vvi s HIS 22 Ca 0.12 1.51 -0.17 0.00 0.47 0.00 0.00 55.06 56.98 2vvi s HIS 22 Cb -0.16 -2.70 0.03 0.00 -0.13 0.00 0.00 32.58 29.62 2vvi s HIS 22 CO 0.12 0.38 0.38 -0.59 -2.47 0.00 0.00 174.74 172.55 2vvi s PHE 23 N -1.42 -0.24 -0.06 3.88 -0.12 -0.24 -4.15 117.98 115.63 2vvi s PHE 23 Ca 0.42 0.26 0.03 0.00 -0.05 0.00 0.00 56.93 57.59 2vvi s PHE 23 Cb -0.19 0.17 0.01 0.00 -0.63 0.00 0.00 43.02 42.38 2vvi s PHE 23 CO 0.23 -0.50 -0.14 0.08 -0.05 0.00 0.00 175.22 174.84 2vvi s VAL 24 N -2.00 1.25 -0.07 -2.49 1.01 -0.53 -1.59 120.40 115.98 2vvi s VAL 24 Ca -0.08 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.34 2vvi s VAL 24 Cb -0.02 -1.12 0.02 0.00 0.00 0.00 0.00 36.38 35.26 2vvi s VAL 24 CO 0.01 0.38 -0.06 -0.63 0.00 0.00 0.00 175.10 174.80 2vvi s ILE 25 N 0.48 0.73 -0.03 2.22 1.01 0.12 0.04 121.20 125.78 2vvi s ILE 25 Ca -0.12 -0.18 -0.05 0.00 0.00 0.00 0.00 60.65 60.29 2vvi s ILE 25 Cb -0.15 -0.75 -0.04 0.00 0.01 0.00 0.00 42.46 41.53 2vvi s ILE 25 CO 0.04 0.29 0.20 -1.81 0.00 0.00 0.00 174.94 173.65 2vvi s ASP 26 N 1.21 6.42 -0.01 3.58 1.01 -0.03 -0.49 116.67 128.36 2vvi s ASP 26 Ca -0.06 0.45 0.02 0.00 0.71 0.00 0.00 52.55 53.67 2vvi s ASP 26 Cb -0.14 -2.05 -0.00 0.00 1.01 0.00 0.00 42.92 41.74 2vvi s ASP 26 CO -0.02 0.30 -0.07 -0.83 0.21 0.00 0.00 175.17 174.76 2vvi s GLY 27 N -1.63 0.36 -0.05 0.21 0.00 0.12 -0.99 107.32 105.35 2vvi s GLY 27 Ca 0.24 -0.31 -0.02 0.00 0.00 0.00 0.00 44.72 44.64 2vvi s GLY 27 CO 0.14 -0.24 0.05 -0.35 0.00 0.00 0.00 173.10 172.70 2vvi s ASP 28 N -0.13 1.23 0.00 1.64 2.15 -0.85 -1.05 116.67 119.66 2vvi s ASP 28 Ca 0.02 0.05 0.00 0.00 0.43 0.00 0.00 52.55 53.05 2vvi s ASP 28 Cb -0.03 -0.20 0.00 0.00 -0.30 0.00 0.00 42.92 42.39 2vvi s ASP 28 CO -0.00 -0.24 0.00 0.61 -0.17 0.00 0.00 175.17 175.37 2vvi n GLY 29 N 5.27 3.49 3.23 2.66 0.00 -0.29 -0.90 105.19 118.66 2vvi n GLY 29 Ca -0.04 -1.37 -0.10 0.00 0.00 0.00 0.00 46.02 44.51 2vvi n GLY 29 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2vvi s THR 30 N -2.25 0.12 0.23 2.61 -4.23 -0.57 -1.01 115.64 110.54 2vvi s THR 30 Ca 0.00 -0.95 -0.22 0.00 -1.18 0.00 0.00 61.69 59.34 2vvi s THR 30 Cb 0.00 -1.18 0.04 0.00 1.34 0.00 0.00 72.50 72.70 2vvi s THR 30 CO 0.00 -0.52 0.76 -0.83 -0.54 0.00 0.00 174.62 173.48 2vvi s GLY 31 N -2.61 -0.19 -0.50 3.99 0.00 -0.10 -0.94 107.32 106.98 2vvi s GLY 31 Ca 0.01 -0.09 0.01 0.00 0.00 0.00 0.00 44.72 44.66 2vvi s GLY 31 CO -0.09 -0.03 0.27 0.54 0.00 0.00 0.00 173.10 173.79 2vvi s LYS 32 N -3.75 2.05 0.26 2.90 1.02 0.88 -1.61 119.74 121.50 2vvi s LYS 32 Ca 0.10 -2.37 -0.02 0.00 0.02 0.00 0.00 55.97 53.69 2vvi s LYS 32 Cb -0.04 -3.44 0.55 0.00 -0.52 0.00 0.00 37.83 34.37 2vvi s LYS 32 CO 0.03 -1.09 1.70 -1.35 -0.92 0.00 0.00 175.35 173.72 2vvi h PRO 33 N 7.02 0.33 0.00 -1.68 0.11 -1.79 -0.32 132.00 135.67 2vvi h PRO 33 Ca -0.06 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.03 2vvi h PRO 33 Cb 0.95 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.98 2vvi h PRO 33 CO 0.67 0.22 0.00 1.19 -0.21 0.00 0.00 178.00 179.87 2vvi n PHE 34 N -5.10 0.73 1.02 0.65 3.01 -1.26 -2.41 117.46 114.11 2vvi n PHE 34 Ca 0.17 0.23 0.11 0.00 1.01 0.00 0.00 57.45 58.97 2vvi n PHE 34 Cb 0.52 -0.87 0.05 0.00 -0.01 0.00 0.00 39.48 39.17 2vvi n PHE 34 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 2vvi n GLU 35 N -2.11 1.47 -3.39 -1.08 1.02 -0.24 -4.67 120.64 111.64 2vvi n GLU 35 Ca 0.05 -1.19 -0.21 0.00 -0.02 0.00 0.00 57.16 55.79 2vvi n GLU 35 Cb 0.37 -1.48 0.07 0.00 -0.02 0.00 0.00 31.44 30.38 2vvi n GLU 35 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2vvi n GLY 36 N 1.39 -0.36 3.03 0.62 0.00 -0.55 -4.62 105.19 104.70 2vvi n GLY 36 Ca 0.11 0.13 -0.18 0.00 0.00 0.00 0.00 46.02 46.07 2vvi n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vvi s LYS 37 N -6.08 0.72 -0.03 1.61 1.02 -1.13 -0.83 119.74 115.03 2vvi s LYS 37 Ca 0.48 -0.36 -0.20 0.00 0.02 0.00 0.00 55.97 55.92 2vvi s LYS 37 Cb -0.21 -0.69 0.04 0.00 -0.52 0.00 0.00 37.83 36.44 2vvi s LYS 37 CO 0.60 0.19 0.42 1.14 -0.92 0.00 0.00 175.35 176.78 2vvi s GLN 38 N -0.32 0.78 0.04 1.68 -2.07 -0.63 -0.08 119.66 119.06 2vvi s GLN 38 Ca 0.03 -0.05 0.03 0.00 -1.82 0.00 0.00 55.36 53.55 2vvi s GLN 38 Cb -0.04 0.36 -0.02 0.00 -1.09 0.00 0.00 33.01 32.21 2vvi s GLN 38 CO -0.00 -0.23 -0.10 -1.12 -1.32 0.00 0.00 175.29 172.52 2vvi s SER 39 N -1.27 1.13 -0.11 12.60 0.01 -0.11 -1.16 113.70 124.79 2vvi s SER 39 Ca -0.13 -0.49 -0.10 0.00 1.31 0.00 0.00 55.95 56.54 2vvi s SER 39 Cb -0.04 -0.02 0.03 0.00 0.21 0.00 0.00 66.02 66.20 2vvi s SER 39 CO 0.06 -0.10 0.30 -0.32 0.41 0.00 0.00 173.24 173.59 2vvi s MET 40 N -1.35 0.34 -0.27 12.44 0.00 0.27 -1.51 119.30 129.22 2vvi s MET 40 Ca -0.05 0.43 -0.11 0.00 0.00 0.00 0.00 55.69 55.96 2vvi s MET 40 Cb -0.09 0.15 -0.05 0.00 0.00 0.00 0.00 34.83 34.85 2vvi s MET 40 CO 0.01 -0.05 0.19 -0.51 0.00 0.00 0.00 175.02 174.65 2vvi s ASP 41 N 0.24 6.04 -0.07 1.11 1.01 -0.07 -0.52 116.67 124.41 2vvi s ASP 41 Ca -0.01 0.02 -0.01 0.00 0.71 0.00 0.00 52.55 53.26 2vvi s ASP 41 Cb -0.03 -2.12 -0.03 0.00 1.01 0.00 0.00 42.92 41.75 2vvi s ASP 41 CO -0.00 -0.03 -0.01 -0.76 0.21 0.00 0.00 175.17 174.57 2vvi s LEU 42 N 1.62 3.48 -0.07 1.23 1.43 0.34 -2.01 118.68 124.70 2vvi s LEU 42 Ca 0.07 0.09 -0.01 0.00 -1.03 0.00 0.00 54.13 53.26 2vvi s LEU 42 Cb -0.15 -1.81 0.03 0.00 0.03 0.00 0.00 46.19 44.28 2vvi s LEU 42 CO 0.10 0.36 -0.02 -0.70 0.23 0.00 0.00 176.35 176.32 2vvi s GLU 43 N -0.95 0.77 -0.08 1.70 2.12 -0.16 -0.81 118.70 121.30 2vvi s GLU 43 Ca 0.14 0.02 -0.30 0.00 0.36 0.00 0.00 54.97 55.19 2vvi s GLU 43 Cb -0.11 -1.02 -0.05 0.00 0.26 0.00 0.00 34.13 33.21 2vvi s GLU 43 CO 0.03 -0.25 1.56 0.08 -0.54 0.00 0.00 175.26 176.14 2vvi s VAL 44 N 1.70 3.75 -0.19 3.70 1.01 -0.00 -0.85 120.40 129.51 2vvi s VAL 44 Ca 0.01 0.91 0.17 0.00 0.00 0.00 0.00 61.98 63.07 2vvi s VAL 44 Cb -0.13 -3.59 -0.24 0.00 0.00 0.00 0.00 36.38 32.43 2vvi s VAL 44 CO -0.04 -0.08 0.07 0.29 0.00 0.00 0.00 175.10 175.33 2vvi n LYS 45 N 7.01 0.84 -3.86 2.72 4.76 0.11 -4.87 118.16 124.87 2vvi n LYS 45 Ca 0.16 -0.01 -0.12 0.00 -2.87 0.00 0.00 58.31 55.47 2vvi n LYS 45 Cb 0.43 -1.50 -0.14 0.00 -1.84 0.00 0.00 35.03 31.99 2vvi n LYS 45 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2vvi s GLU 46 N -2.47 0.03 0.00 1.97 2.02 -1.05 -4.90 118.70 114.30 2vvi s GLU 46 Ca -0.10 0.04 0.00 0.00 0.02 0.00 0.00 54.97 54.94 2vvi s GLU 46 Cb 0.06 -0.00 0.00 0.00 0.10 0.00 0.00 34.13 34.29 2vvi s GLU 46 CO 0.79 -0.01 0.00 0.41 0.02 0.00 0.00 175.26 176.47 2vvi n GLY 47 N 3.13 0.81 3.83 -1.39 0.00 -1.26 -1.46 105.19 108.85 2vvi n GLY 47 Ca -0.13 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 2vvi n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vvi s GLY 48 N -2.02 2.41 0.15 -0.02 0.00 -1.26 -3.38 107.32 103.19 2vvi s GLY 48 Ca 0.00 0.23 -0.30 0.00 0.00 0.00 0.00 44.72 44.65 2vvi s GLY 48 CO 0.00 0.49 1.03 2.56 0.00 0.00 0.00 173.10 177.18 2vvi s PRO 49 N -2.93 4.66 0.13 2.90 0.04 -1.26 -5.09 135.00 133.45 2vvi s PRO 49 Ca 0.56 1.58 -0.33 0.00 0.04 0.00 0.00 61.00 62.86 2vvi s PRO 49 Cb -0.11 -3.32 -0.12 0.00 0.04 0.00 0.00 34.50 30.99 2vvi s PRO 49 CO 0.16 0.16 1.71 1.28 0.04 0.00 0.00 177.00 180.36 2vvi n LEU 50 N 2.52 3.57 -0.39 -3.56 4.77 -1.22 -4.89 117.00 117.81 2vvi n LEU 50 Ca 0.02 1.04 0.04 0.00 -0.03 0.00 0.00 56.01 57.09 2vvi n LEU 50 Cb 0.48 -1.48 0.15 0.00 -2.33 0.00 0.00 43.42 40.23 2vvi n LEU 50 CO 0.52 -0.04 0.62 -0.81 -1.33 0.00 0.00 177.39 176.35 2vvi n PRO 51 N 4.48 1.49 -4.37 3.23 -0.04 -1.26 -4.88 135.00 133.64 2vvi n PRO 51 Ca 0.18 -0.76 -0.19 0.00 -0.04 0.00 0.00 63.50 62.69 2vvi n PRO 51 Cb 0.32 -1.20 -0.10 0.00 -0.04 0.00 0.00 33.50 32.48 2vvi n PRO 51 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2vvi s PHE 52 N -1.74 1.72 0.02 0.54 -0.12 -1.26 -4.72 117.98 112.42 2vvi s PHE 52 Ca 0.17 -0.94 -0.32 0.00 -0.05 0.00 0.00 56.93 55.79 2vvi s PHE 52 Cb 0.09 -1.04 -0.11 0.00 -0.63 0.00 0.00 43.02 41.33 2vvi s PHE 52 CO 0.12 -0.03 1.89 0.00 -0.05 0.00 0.00 175.22 177.16 2vvi n ALA 53 N -0.52 1.44 0.05 1.99 0.00 0.35 -4.88 120.51 118.94 2vvi n ALA 53 Ca -0.04 0.27 0.06 0.00 0.00 0.00 0.00 53.44 53.74 2vvi n ALA 53 Cb 0.65 -2.58 0.49 0.00 0.00 0.00 0.00 19.45 18.01 2vvi n ALA 53 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2vvi h PHE 54 N 9.42 0.37 -0.34 0.00 3.57 -1.94 -2.80 116.94 125.21 2vvi h PHE 54 Ca -0.48 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.12 2vvi h PHE 54 Cb 1.25 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.85 2vvi h PHE 54 CO 0.88 0.23 0.43 -0.44 -2.23 0.00 0.00 178.31 177.17 2vvi h ASP 55 N 0.39 0.00 0.83 0.41 3.32 -1.96 -1.52 116.42 117.89 2vvi h ASP 55 Ca 0.13 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 2vvi h ASP 55 Cb 0.05 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 2vvi h ASP 55 CO -0.03 0.00 -0.05 0.16 -1.72 0.00 0.00 179.24 177.60 2vvi h ILE 56 N 0.00 0.16 0.00 0.35 3.07 -1.89 -3.17 117.51 116.03 2vvi h ILE 56 Ca 0.16 -0.57 0.00 0.00 1.55 0.00 0.00 64.86 66.00 2vvi h ILE 56 Cb 1.01 1.49 0.00 0.00 -0.27 0.00 0.00 36.82 39.05 2vvi h ILE 56 CO -0.00 0.05 -1.20 0.18 -1.05 0.00 0.00 178.15 176.13 2vvi n LEU 57 N -3.20 0.58 0.16 0.16 4.77 -0.57 -4.60 117.00 114.29 2vvi n LEU 57 Ca -0.00 0.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 2vvi n LEU 57 Cb 0.30 -0.07 0.26 0.00 -2.33 0.00 0.00 43.42 41.58 2vvi n LEU 57 CO 0.28 -0.05 0.60 0.71 -1.33 0.00 0.00 177.39 177.59 2vvi h THR 58 N 0.00 1.36 0.00 -5.08 1.35 -1.64 -0.43 112.91 108.47 2vvi h THR 58 Ca 0.00 -1.73 -0.02 0.00 -0.55 0.00 0.00 66.41 64.11 2vvi h THR 58 Cb 0.88 1.94 -0.00 0.00 -1.73 0.00 0.00 68.15 69.24 2vvi h THR 58 CO 0.00 0.50 -0.08 0.71 -0.25 0.00 0.00 175.52 176.39 2vvi h THR 59 N 0.00 0.30 0.01 6.82 1.35 -1.81 -2.95 112.91 116.62 2vvi h THR 59 Ca -0.01 -0.54 -0.19 0.00 -0.55 0.00 0.00 66.41 65.13 2vvi h THR 59 Cb 0.90 1.41 -0.02 0.00 -1.73 0.00 0.00 68.15 68.70 2vvi h THR 59 CO 0.07 0.08 -0.89 0.00 -0.25 0.00 0.00 175.52 174.53 2vvi h ALA 60 N 1.92 0.53 0.00 6.62 0.00 -1.38 -3.45 119.26 123.51 2vvi h ALA 60 Ca -0.00 -0.78 -0.42 0.00 0.00 0.00 0.00 54.91 53.70 2vvi h ALA 60 Cb 0.40 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.08 2vvi h ALA 60 CO 0.01 1.05 2.48 1.19 0.00 0.00 0.00 179.25 183.98 2vvi n PHE 61 N -3.54 1.43 0.00 0.00 0.99 -1.12 -5.00 117.46 110.23 2vvi n PHE 61 Ca -0.01 -2.15 0.00 0.00 -0.00 0.00 0.00 57.45 55.28 2vvi n PHE 61 Cb 0.83 -1.85 0.00 0.00 -1.00 0.00 0.00 39.48 37.46 2vvi n PHE 61 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 2vvi n ASN 65 N 3.71 0.00 0.00 4.37 5.15 -1.26 -5.13 115.26 122.11 2vvi n ASN 65 Ca 0.53 0.00 0.07 0.00 -0.60 0.00 0.00 54.58 54.58 2vvi n ASN 65 Cb 0.26 0.00 0.44 0.00 -0.53 0.00 0.00 39.78 39.95 2vvi n ASN 65 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2vvi n ARG 66 N 0.00 0.76 -0.27 1.20 5.12 -1.26 -1.98 116.66 120.23 2vvi n ARG 66 Ca 0.00 0.00 0.09 0.00 -1.93 0.00 0.00 57.85 56.01 2vvi n ARG 66 Cb 0.00 -1.30 0.34 0.00 -1.16 0.00 0.00 32.46 30.34 2vvi n ARG 66 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 2vvi h VAL 67 N 0.00 0.91 -0.42 1.55 2.07 -1.96 -3.21 116.25 115.19 2vvi h VAL 67 Ca 0.00 -0.27 -0.71 0.00 0.82 0.00 0.00 66.70 66.55 2vvi h VAL 67 Cb 0.00 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 29.79 2vvi h VAL 67 CO 0.00 0.14 3.15 0.49 0.02 0.00 0.00 177.57 181.37 2vvi n PHE 68 N -4.54 2.80 -3.81 1.57 3.01 -0.84 -4.73 117.46 110.91 2vvi n PHE 68 Ca 0.16 -2.97 -0.13 0.00 1.01 0.00 0.00 57.45 55.52 2vvi n PHE 68 Cb 0.38 -2.30 -0.13 0.00 -0.01 0.00 0.00 39.48 37.41 2vvi n PHE 68 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2vvi s ALA 69 N 1.50 -0.28 -0.50 4.37 0.00 -1.21 -4.20 121.76 121.43 2vvi s ALA 69 Ca 0.57 0.42 -0.25 0.00 0.00 0.00 0.00 51.96 52.70 2vvi s ALA 69 Cb 0.16 -0.26 0.03 0.00 0.00 0.00 0.00 23.12 23.05 2vvi s ALA 69 CO -0.07 -0.08 0.96 -2.00 0.00 0.00 0.00 175.76 174.57 2vvi s GLU 70 N 0.34 3.47 -0.19 0.00 2.12 -0.43 -4.42 118.70 119.59 2vvi s GLU 70 Ca -0.02 0.05 -0.12 0.00 0.36 0.00 0.00 54.97 55.24 2vvi s GLU 70 Cb -0.04 -3.97 -0.05 0.00 0.26 0.00 0.00 34.13 30.33 2vvi s GLU 70 CO -0.01 -1.35 0.20 0.71 -0.54 0.00 0.00 175.26 174.27 2vvi s TYR 71 N 3.93 3.42 0.85 5.30 1.51 -1.26 -1.56 117.35 129.53 2vvi s TYR 71 Ca 0.36 0.42 -0.11 0.00 -1.01 0.00 0.00 57.07 56.73 2vvi s TYR 71 Cb -0.10 -2.24 0.10 0.00 -0.11 0.00 0.00 41.96 39.60 2vvi s TYR 71 CO 0.24 0.24 1.10 -2.14 -1.11 0.00 0.00 175.55 173.88 2vvi s PRO 72 N 0.50 1.63 0.34 -1.71 0.02 -1.26 -4.94 135.00 129.59 2vvi s PRO 72 Ca 0.11 1.08 0.03 0.00 0.02 0.00 0.00 61.00 62.24 2vvi s PRO 72 Cb -0.12 -1.83 0.64 0.00 0.02 0.00 0.00 34.50 33.21 2vvi s PRO 72 CO 0.01 -2.05 1.97 -0.44 -0.33 0.00 0.00 177.00 176.15 2vvi h ASP 73 N -1.43 0.75 1.16 2.53 3.32 -1.99 -2.98 116.42 117.78 2vvi h ASP 73 Ca -0.46 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.58 2vvi h ASP 73 Cb 1.26 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.64 2vvi h ASP 73 CO 0.51 0.52 0.00 0.00 -1.72 0.00 0.00 179.24 178.55 2vvi n HIS 74 N -4.46 0.70 -4.16 4.55 1.44 -1.26 -4.69 115.22 107.35 2vvi n HIS 74 Ca 0.10 0.22 -0.34 0.00 -2.01 0.00 0.00 57.72 55.69 2vvi n HIS 74 Cb 0.14 -0.86 -0.11 0.00 0.12 0.00 0.00 29.99 29.27 2vvi n HIS 74 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2vvi s ILE 75 N -3.13 4.23 0.20 0.61 1.01 -1.13 -5.07 121.20 117.92 2vvi s ILE 75 Ca 0.09 -0.23 -0.31 0.00 0.00 0.00 0.00 60.65 60.20 2vvi s ILE 75 Cb 0.12 -2.89 -0.11 0.00 0.01 0.00 0.00 42.46 39.59 2vvi s ILE 75 CO 0.51 0.46 1.61 -1.58 0.00 0.00 0.00 174.94 175.94 2vvi s GLN 76 N 0.59 4.18 -0.77 2.79 -0.44 -1.26 -4.68 119.66 120.07 2vvi s GLN 76 Ca 0.00 2.47 -0.14 0.00 -2.50 0.00 0.00 55.36 55.18 2vvi s GLN 76 Cb -0.14 -3.11 0.20 0.00 -1.64 0.00 0.00 33.01 28.33 2vvi s GLN 76 CO 0.02 -0.64 0.72 0.34 0.50 0.00 0.00 175.29 176.22 2vvi s ASP 77 N 1.01 6.65 0.35 6.67 -1.08 -1.26 -4.71 116.67 124.30 2vvi s ASP 77 Ca 0.70 -2.52 0.05 0.00 -0.52 0.00 0.00 52.55 50.26 2vvi s ASP 77 Cb -0.46 -2.21 0.63 0.00 -1.46 0.00 0.00 42.92 39.42 2vvi s ASP 77 CO 0.34 -0.63 1.89 0.22 0.52 0.00 0.00 175.17 177.51 2vvi h TYR 78 N 7.99 0.51 -0.01 -5.34 3.20 -1.92 -1.86 116.97 119.54 2vvi h TYR 78 Ca 0.03 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 61.83 2vvi h TYR 78 Cb 1.05 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.18 2vvi h TYR 78 CO 0.98 0.51 -0.08 0.74 -1.64 0.00 0.00 178.16 178.67 2vvi h PHE 79 N 0.47 0.09 -0.08 -3.82 -1.00 -1.90 -2.12 116.94 108.59 2vvi h PHE 79 Ca 0.10 -0.04 -0.09 0.00 2.81 0.00 0.00 57.97 60.74 2vvi h PHE 79 Cb 0.32 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 39.85 2vvi h PHE 79 CO 0.01 0.76 -0.38 0.87 -1.61 0.00 0.00 178.31 177.96 2vvi h LYS 80 N -0.60 0.17 0.00 1.51 1.57 -1.88 -2.58 116.57 114.76 2vvi h LYS 80 Ca -0.01 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2vvi h LYS 80 Cb 0.78 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2vvi h LYS 80 CO 0.02 0.53 0.00 1.04 -0.57 0.00 0.00 179.45 180.47 2vvi n GLN 81 N -4.06 0.18 0.00 3.15 1.13 -0.70 -2.76 117.38 114.32 2vvi n GLN 81 Ca -0.01 0.08 0.13 0.00 -1.94 0.00 0.00 57.00 55.26 2vvi n GLN 81 Cb 0.45 -1.50 0.42 0.00 0.11 0.00 0.00 30.24 29.72 2vvi n GLN 81 CO 0.00 0.00 0.00 -1.13 -1.44 0.00 0.00 177.06 174.49 2vvi n SER 82 N -1.39 0.95 -4.92 1.08 3.41 -0.80 -4.86 113.62 107.10 2vvi n SER 82 Ca 0.08 -0.86 -0.25 0.00 -0.26 0.00 0.00 58.87 57.59 2vvi n SER 82 Cb 0.22 0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 64.24 2vvi n SER 82 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2vvi s PHE 83 N -2.48 3.41 -0.67 7.33 0.40 -1.11 -0.11 117.98 124.75 2vvi s PHE 83 Ca 0.25 0.06 0.24 0.00 -0.60 0.00 0.00 56.93 56.88 2vvi s PHE 83 Cb 0.19 -1.61 0.91 0.00 0.51 0.00 0.00 43.02 43.02 2vvi s PHE 83 CO 0.51 0.50 1.72 -0.35 0.70 0.00 0.00 175.22 178.30 2vvi n PRO 84 N -0.71 0.18 -0.14 0.24 -0.04 -0.85 -4.29 135.00 129.39 2vvi n PRO 84 Ca -0.08 0.30 -0.12 0.00 -0.04 0.00 0.00 63.50 63.56 2vvi n PRO 84 Cb 0.55 -1.77 -0.00 0.00 -0.04 0.00 0.00 33.50 32.23 2vvi n PRO 84 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2vvi h LYS 85 N 0.00 0.97 0.00 0.54 3.64 -1.88 -3.39 116.57 116.45 2vvi h LYS 85 Ca 0.00 -0.45 0.00 0.00 -1.27 0.00 0.00 60.65 58.93 2vvi h LYS 85 Cb 0.48 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 2vvi h LYS 85 CO 0.00 1.12 0.00 0.41 -2.27 0.00 0.00 179.45 178.71 2vvi n GLY 86 N -0.01 -1.20 3.71 5.01 0.00 0.85 -4.72 105.19 108.84 2vvi n GLY 86 Ca -0.01 -2.21 -0.09 0.00 0.00 0.00 0.00 46.02 43.72 2vvi n GLY 86 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2vvi s TYR 87 N -0.52 0.16 0.06 1.61 1.13 -1.00 -1.36 117.35 117.44 2vvi s TYR 87 Ca 0.00 -0.59 0.01 0.00 -1.41 0.00 0.00 57.07 55.09 2vvi s TYR 87 Cb 0.00 0.44 -0.03 0.00 -1.10 0.00 0.00 41.96 41.27 2vvi s TYR 87 CO 0.00 -1.15 -0.06 -1.54 -2.51 0.00 0.00 175.55 170.28 2vvi s SER 88 N -3.00 0.82 0.12 -0.18 1.04 -0.48 -0.65 113.70 111.37 2vvi s SER 88 Ca 0.18 -0.75 0.06 0.00 0.48 0.00 0.00 55.95 55.92 2vvi s SER 88 Cb -0.03 0.08 -0.04 0.00 0.10 0.00 0.00 66.02 66.14 2vvi s SER 88 CO 0.09 -0.35 -0.15 -1.66 0.98 0.00 0.00 173.24 172.15 2vvi s TRP 89 N -2.44 1.48 0.02 5.02 1.48 -0.44 -0.96 118.94 123.10 2vvi s TRP 89 Ca -0.02 -0.53 0.06 0.00 -1.06 0.00 0.00 56.10 54.56 2vvi s TRP 89 Cb -0.03 -0.77 -0.02 0.00 -1.16 0.00 0.00 33.47 31.49 2vvi s TRP 89 CO -0.03 0.17 -0.18 -1.21 -4.06 0.00 0.00 176.95 171.64 2vvi s GLU 90 N -2.57 1.34 -0.01 3.25 2.02 -0.81 -1.37 118.70 120.54 2vvi s GLU 90 Ca 0.09 -0.78 -0.03 0.00 0.02 0.00 0.00 54.97 54.27 2vvi s GLU 90 Cb -0.06 -1.36 0.00 0.00 0.10 0.00 0.00 34.13 32.81 2vvi s GLU 90 CO 0.04 0.36 0.07 0.50 0.02 0.00 0.00 175.26 176.24 2vvi s ARG 91 N -0.84 0.23 -0.05 1.61 3.52 0.47 -1.11 118.95 122.78 2vvi s ARG 91 Ca 0.06 -0.15 0.04 0.00 -0.13 0.00 0.00 55.73 55.55 2vvi s ARG 91 Cb -0.08 0.09 -0.02 0.00 -1.56 0.00 0.00 34.95 33.38 2vvi s ARG 91 CO 0.01 -0.04 -0.18 -1.54 -0.81 0.00 0.00 175.30 172.74 2vvi s SER 92 N -0.59 3.73 -0.24 -2.12 1.04 -0.63 -0.47 113.70 114.41 2vvi s SER 92 Ca -0.07 -0.30 0.02 0.00 0.48 0.00 0.00 55.95 56.09 2vvi s SER 92 Cb -0.04 -0.83 0.05 0.00 0.10 0.00 0.00 66.02 65.30 2vvi s SER 92 CO 0.00 0.31 -0.12 -0.76 0.98 0.00 0.00 173.24 173.65 2vvi s LEU 93 N -0.52 3.08 -0.36 2.42 1.43 0.26 -2.31 118.68 122.68 2vvi s LEU 93 Ca 0.07 -1.22 -0.05 0.00 -1.03 0.00 0.00 54.13 51.90 2vvi s LEU 93 Cb -0.11 -1.49 0.07 0.00 0.03 0.00 0.00 46.19 44.68 2vvi s LEU 93 CO 0.01 -0.16 0.13 -0.89 0.23 0.00 0.00 176.35 175.68 2vvi s THR 94 N 1.18 3.56 0.42 5.49 2.01 -0.05 -0.66 115.64 127.59 2vvi s THR 94 Ca -0.06 -1.46 -0.10 0.00 0.31 0.00 0.00 61.69 60.38 2vvi s THR 94 Cb -0.18 -3.16 -0.06 0.00 0.01 0.00 0.00 72.50 69.11 2vvi s THR 94 CO -0.07 -0.35 0.79 -0.36 -0.69 0.00 0.00 174.62 173.94 2vvi s PHE 95 N 1.31 3.48 0.08 4.92 0.40 -0.07 -0.95 117.98 127.16 2vvi s PHE 95 Ca 0.01 1.05 0.33 0.00 -0.60 0.00 0.00 56.93 57.72 2vvi s PHE 95 Cb -0.21 -2.45 1.44 0.00 0.51 0.00 0.00 43.02 42.31 2vvi s PHE 95 CO 0.00 -0.15 1.99 1.05 0.70 0.00 0.00 175.22 178.81 2vvi h GLU 96 N 1.12 0.00 -0.61 0.44 4.11 -1.57 -2.43 114.58 115.64 2vvi h GLU 96 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 2vvi h GLU 96 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2vvi h GLU 96 CO 0.63 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.31 2vvi n ASP 97 N -2.95 5.06 0.00 3.06 5.75 -1.26 -4.94 116.55 121.27 2vvi n ASP 97 Ca 0.00 -2.63 0.00 0.00 -0.01 0.00 0.00 54.79 52.15 2vvi n ASP 97 Cb 0.26 -0.61 0.00 0.00 -1.03 0.00 0.00 41.12 39.74 2vvi n ASP 97 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2vvi n GLY 98 N 0.88 0.62 3.73 6.12 0.00 -0.91 -4.69 105.19 110.94 2vvi n GLY 98 Ca 0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.87 2vvi n GLY 98 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vvi s GLY 99 N -1.50 2.16 -0.07 -0.02 0.00 -1.21 -4.71 107.32 101.98 2vvi s GLY 99 Ca 0.00 1.26 0.01 0.00 0.00 0.00 0.00 44.72 45.99 2vvi s GLY 99 CO 0.00 2.31 -0.06 -0.42 0.00 0.00 0.00 173.10 174.93 2vvi s ILE 100 N 0.38 0.76 0.10 0.90 1.01 -0.69 -0.89 121.20 122.77 2vvi s ILE 100 Ca 0.61 -0.21 0.10 0.00 0.00 0.00 0.00 60.65 61.15 2vvi s ILE 100 Cb -0.40 -0.77 -0.04 0.00 0.01 0.00 0.00 42.46 41.26 2vvi s ILE 100 CO 0.38 0.29 -0.24 0.00 0.00 0.00 0.00 174.94 175.37 2vvi s ILE 102 N -1.00 1.78 0.07 0.00 -5.25 -0.00 0.93 121.20 117.73 2vvi s ILE 102 Ca 0.14 -1.61 -0.08 0.00 -0.99 0.00 0.00 60.65 58.11 2vvi s ILE 102 Cb -0.10 -1.63 -0.00 0.00 2.95 0.00 0.00 42.46 43.67 2vvi s ILE 102 CO 0.06 -0.07 0.17 0.00 -1.79 0.00 0.00 174.94 173.31 2vvi s ALA 103 N -1.25 -0.20 -0.02 2.27 0.00 0.38 -1.35 121.76 121.58 2vvi s ALA 103 Ca 0.08 -0.59 -0.06 0.00 0.00 0.00 0.00 51.96 51.40 2vvi s ALA 103 Cb -0.10 0.43 0.00 0.00 0.00 0.00 0.00 23.12 23.45 2vvi s ALA 103 CO 0.05 -0.47 0.12 1.03 0.00 0.00 0.00 175.76 176.50 2vvi s ARG 104 N -3.57 0.34 -0.04 0.00 0.52 -0.39 -0.40 118.95 115.42 2vvi s ARG 104 Ca 0.03 -0.18 -0.01 0.00 -0.52 0.00 0.00 55.73 55.05 2vvi s ARG 104 Cb 0.04 0.14 0.03 0.00 0.52 0.00 0.00 34.95 35.68 2vvi s ARG 104 CO -0.09 -0.07 0.03 1.21 0.02 0.00 0.00 175.30 176.39 2vvi s ASN 105 N -0.80 0.74 -0.38 0.23 2.47 -0.47 -1.32 114.94 115.40 2vvi s ASN 105 Ca -0.09 0.01 -0.16 0.00 0.42 0.00 0.00 52.86 53.05 2vvi s ASN 105 Cb -0.05 -0.19 0.00 0.00 -1.45 0.00 0.00 41.25 39.56 2vvi s ASN 105 CO 0.01 -0.17 0.36 -0.62 -3.72 0.00 0.00 177.10 172.96 2vvi s ASP 106 N 1.53 6.16 -0.24 -4.21 -1.08 -0.62 -1.32 116.67 116.88 2vvi s ASP 106 Ca -0.03 -0.52 -0.07 0.00 -0.52 0.00 0.00 52.55 51.41 2vvi s ASP 106 Cb -0.13 -2.19 -0.03 0.00 -1.46 0.00 0.00 42.92 39.12 2vvi s ASP 106 CO -0.03 -0.43 0.05 -0.63 0.52 0.00 0.00 175.17 174.66 2vvi s ILE 107 N 1.96 4.19 0.48 4.11 1.01 0.17 -2.30 121.20 130.82 2vvi s ILE 107 Ca 0.10 -0.21 0.02 0.00 0.00 0.00 0.00 60.65 60.56 2vvi s ILE 107 Cb -0.17 -2.95 -0.02 0.00 0.01 0.00 0.00 42.46 39.32 2vvi s ILE 107 CO 0.12 0.36 0.03 0.42 0.00 0.00 0.00 174.94 175.87 2vvi s THR 108 N 1.55 1.09 -0.08 2.92 -4.23 -0.36 -2.37 115.64 114.16 2vvi s THR 108 Ca 0.06 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.52 2vvi s THR 108 Cb -0.15 -2.27 0.04 0.00 1.34 0.00 0.00 72.50 71.45 2vvi s THR 108 CO 0.03 0.00 0.20 -0.32 -0.54 0.00 0.00 174.62 173.98 2vvi s MET 109 N -3.83 0.17 -0.11 3.99 1.75 -1.26 -0.39 119.30 119.62 2vvi s MET 109 Ca 0.12 0.41 -0.02 0.00 -1.25 0.00 0.00 55.69 54.95 2vvi s MET 109 Cb 0.03 -0.09 0.04 0.00 2.84 0.00 0.00 34.83 37.65 2vvi s MET 109 CO 0.07 -0.13 0.02 -1.21 -0.65 0.00 0.00 175.02 173.11 2vvi s GLU 110 N 0.95 0.57 7.95 4.11 2.02 -0.46 -4.99 118.70 128.84 2vvi s GLU 110 Ca -0.07 -0.02 0.00 0.00 0.02 0.00 0.00 54.97 54.90 2vvi s GLU 110 Cb -0.09 -1.28 0.00 0.00 0.10 0.00 0.00 34.13 32.86 2vvi s GLU 110 CO -0.06 -0.41 0.00 0.41 0.02 0.00 0.00 175.26 175.23 2vvi n GLY 111 N 5.14 3.90 1.71 -1.39 0.00 -1.26 -2.04 105.19 111.25 2vvi n GLY 111 Ca -0.07 0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.04 2vvi n GLY 111 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2vvi n ASP 112 N 8.42 5.12 -4.10 1.61 5.75 -1.26 -4.94 116.55 127.15 2vvi n ASP 112 Ca 0.00 -2.67 -0.29 0.00 -0.01 0.00 0.00 54.79 51.82 2vvi n ASP 112 Cb 0.00 -0.63 -0.17 0.00 -1.03 0.00 0.00 41.12 39.29 2vvi n ASP 112 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2vvi s THR 113 N -2.29 1.63 0.17 2.12 2.01 -0.87 0.21 115.64 118.62 2vvi s THR 113 Ca 0.51 -0.74 -0.27 0.00 0.31 0.00 0.00 61.69 61.50 2vvi s THR 113 Cb 0.36 -1.46 -0.08 0.00 0.01 0.00 0.00 72.50 71.33 2vvi s THR 113 CO 0.19 0.47 0.85 -0.36 -0.69 0.00 0.00 174.62 175.08 2vvi s PHE 114 N 0.80 3.90 -0.08 4.92 0.08 -0.15 -1.36 117.98 126.10 2vvi s PHE 114 Ca -0.10 1.73 0.01 0.00 0.12 0.00 0.00 56.93 58.69 2vvi s PHE 114 Cb -0.16 -2.88 -0.03 0.00 -0.57 0.00 0.00 43.02 39.39 2vvi s PHE 114 CO 0.01 0.43 -0.11 0.71 -0.10 0.00 0.00 175.22 176.16 2vvi s TYR 115 N -0.88 2.83 -0.18 0.36 1.51 0.47 -0.48 117.35 120.99 2vvi s TYR 115 Ca 0.39 -0.20 -0.01 0.00 -1.01 0.00 0.00 57.07 56.24 2vvi s TYR 115 Cb -0.24 -1.73 0.05 0.00 -0.11 0.00 0.00 41.96 39.93 2vvi s TYR 115 CO 0.28 0.14 -0.02 -0.80 -1.11 0.00 0.00 175.55 174.04 2vvi s ASN 116 N -0.44 2.93 -0.52 2.29 0.01 -0.39 -1.22 114.94 117.59 2vvi s ASN 116 Ca 0.06 -0.75 -0.16 0.00 -0.71 0.00 0.00 52.86 51.29 2vvi s ASN 116 Cb -0.12 -0.82 0.10 0.00 0.41 0.00 0.00 41.25 40.82 2vvi s ASN 116 CO 0.02 -0.23 0.50 -0.75 -1.51 0.00 0.00 177.10 175.13 2vvi s LYS 117 N 1.69 3.00 -0.10 -0.60 2.20 -0.97 -1.23 119.74 123.73 2vvi s LYS 117 Ca -0.01 -1.50 -0.01 0.00 -0.36 0.00 0.00 55.97 54.09 2vvi s LYS 117 Cb -0.16 -4.23 -0.03 0.00 -1.51 0.00 0.00 37.83 31.89 2vvi s LYS 117 CO -0.07 -1.26 -0.03 0.08 -0.36 0.00 0.00 175.35 173.71 2vvi s VAL 118 N 1.83 4.04 -0.02 4.02 1.01 -0.13 -1.59 120.40 129.56 2vvi s VAL 118 Ca 0.05 -0.34 0.06 0.00 0.00 0.00 0.00 61.98 61.75 2vvi s VAL 118 Cb -0.27 -2.70 -0.01 0.00 0.00 0.00 0.00 36.38 33.40 2vvi s VAL 118 CO 0.05 0.58 -0.19 -0.13 0.00 0.00 0.00 175.10 175.40 2vvi s ARG 119 N -0.57 1.65 -0.12 2.72 1.81 -0.44 -1.48 118.95 122.52 2vvi s ARG 119 Ca 0.09 -0.70 -0.04 0.00 -1.72 0.00 0.00 55.73 53.37 2vvi s ARG 119 Cb -0.12 -1.56 0.06 0.00 -0.45 0.00 0.00 34.95 32.88 2vvi s ARG 119 CO 0.02 0.40 0.20 0.12 -0.68 0.00 0.00 175.30 175.36 2vvi s PHE 120 N -0.39 -0.27 -0.03 -0.53 2.19 -0.81 -1.26 117.98 116.89 2vvi s PHE 120 Ca 0.06 0.64 0.03 0.00 0.33 0.00 0.00 56.93 57.99 2vvi s PHE 120 Cb -0.08 -0.22 -0.00 0.00 -1.31 0.00 0.00 43.02 41.41 2vvi s PHE 120 CO -0.00 -0.36 -0.12 -1.01 1.83 0.00 0.00 175.22 175.56 2vvi s HIS 121 N 2.34 1.21 0.01 10.12 3.76 -0.46 -1.14 115.29 131.14 2vvi s HIS 121 Ca 0.03 -0.31 -0.03 0.00 -0.15 0.00 0.00 55.06 54.59 2vvi s HIS 121 Cb -0.13 -0.84 -0.01 0.00 1.11 0.00 0.00 32.58 32.72 2vvi s HIS 121 CO -0.08 -0.11 0.05 0.20 -0.85 0.00 0.00 174.74 173.95 2vvi s GLY 122 N 0.10 0.16 0.10 -2.22 0.00 -0.16 -0.82 107.32 104.47 2vvi s GLY 122 Ca -0.02 -0.41 -0.08 0.00 0.00 0.00 0.00 44.72 44.21 2vvi s GLY 122 CO 0.01 -0.51 0.18 -1.34 0.00 0.00 0.00 173.10 171.44 2vvi s VAL 123 N -1.55 0.13 -1.08 1.40 -7.23 -0.55 -0.90 120.40 110.62 2vvi s VAL 123 Ca -0.14 -1.30 0.00 0.00 -1.81 0.00 0.00 61.98 58.73 2vvi s VAL 123 Cb -0.08 -1.47 0.00 0.00 0.56 0.00 0.00 36.38 35.39 2vvi s VAL 123 CO -0.00 -0.61 0.00 0.59 -0.31 0.00 0.00 175.10 174.77 2vvi n ASN 124 N -0.07 -4.07 -4.66 4.85 3.02 -1.26 -1.71 115.26 111.35 2vvi n ASN 124 Ca -0.13 0.18 -0.43 0.00 -0.03 0.00 0.00 54.58 54.17 2vvi n ASN 124 Cb 0.62 -2.76 -0.02 0.00 -0.61 0.00 0.00 39.78 37.01 2vvi n ASN 124 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2vvi s PHE 125 N -2.44 2.82 0.30 3.10 0.08 -1.26 -3.30 117.98 117.29 2vvi s PHE 125 Ca 0.00 0.98 -0.29 0.00 0.12 0.00 0.00 56.93 57.73 2vvi s PHE 125 Cb 0.00 -3.52 -0.11 0.00 -0.57 0.00 0.00 43.02 38.82 2vvi s PHE 125 CO 0.00 -1.79 1.53 -2.14 -0.10 0.00 0.00 175.22 172.72 2vvi s PRO 126 N 3.44 4.16 0.49 0.24 0.02 -1.26 -4.88 135.00 137.20 2vvi s PRO 126 Ca 0.56 2.51 0.17 0.00 0.02 0.00 0.00 61.00 64.26 2vvi s PRO 126 Cb -0.22 -3.03 1.21 0.00 0.02 0.00 0.00 34.50 32.47 2vvi s PRO 126 CO 0.16 -0.55 2.05 0.00 -0.33 0.00 0.00 177.00 178.33 2vvi h ALA 127 N 4.42 2.13 -0.56 -1.55 0.00 -1.98 -0.29 119.26 121.43 2vvi h ALA 127 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2vvi h ALA 127 Cb 1.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2vvi h ALA 127 CO 0.75 -0.21 0.00 0.09 0.00 0.00 0.00 179.25 179.88 2vvi n ASN 128 N -4.47 3.47 -4.85 0.00 3.02 -1.26 -4.24 115.26 106.94 2vvi n ASN 128 Ca 0.05 -1.98 -0.29 0.00 -0.03 0.00 0.00 54.58 52.32 2vvi n ASN 128 Cb 0.31 -0.37 0.10 0.00 -0.61 0.00 0.00 39.78 39.22 2vvi n ASN 128 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2vvi s GLY 129 N -1.20 1.59 0.47 7.41 0.00 -0.12 -4.81 107.32 110.67 2vvi s GLY 129 Ca 0.43 -0.64 0.13 0.00 0.00 0.00 0.00 44.72 44.64 2vvi s GLY 129 CO 0.31 -0.12 2.09 -0.56 0.00 0.00 0.00 173.10 174.82 2vvi h PRO 130 N -1.19 0.14 0.25 2.90 0.13 -1.94 -0.15 132.00 132.16 2vvi h PRO 130 Ca -0.47 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.63 2vvi h PRO 130 Cb 1.33 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2vvi h PRO 130 CO 0.64 0.14 -0.12 0.28 -0.23 0.00 0.00 178.00 178.71 2vvi h VAL 131 N 0.15 0.72 0.00 1.56 2.07 -1.93 0.11 116.25 118.93 2vvi h VAL 131 Ca 0.04 -0.82 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 2vvi h VAL 131 Cb 0.06 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 2vvi h VAL 131 CO -0.00 0.15 -0.25 0.24 0.02 0.00 0.00 177.57 177.73 2vvi h MET 132 N -0.82 0.00 -0.01 1.57 2.86 -1.75 0.11 114.93 116.89 2vvi h MET 132 Ca -0.03 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2vvi h MET 132 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 2vvi h MET 132 CO 0.06 0.25 -0.09 1.04 1.06 0.00 0.00 176.91 179.23 2vvi n GLN 133 N -3.50 1.32 -3.72 1.72 1.13 -0.08 -4.71 117.38 109.53 2vvi n GLN 133 Ca -0.00 -0.73 -0.25 0.00 -1.94 0.00 0.00 57.00 54.08 2vvi n GLN 133 Cb 0.41 -1.48 0.03 0.00 0.11 0.00 0.00 30.24 29.30 2vvi n GLN 133 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2vvi n LYS 134 N -0.21 -3.16 -0.46 -1.09 5.02 -0.58 -4.92 118.16 112.77 2vvi n LYS 134 Ca 0.17 0.54 0.08 0.00 -2.02 0.00 0.00 58.31 57.07 2vvi n LYS 134 Cb 0.34 -4.74 0.27 0.00 -0.02 0.00 0.00 35.03 30.88 2vvi n LYS 134 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2vvi n LYS 135 N -4.19 3.30 -3.22 1.97 4.76 0.29 -5.00 118.16 116.08 2vvi n LYS 135 Ca -0.22 -2.67 -0.33 0.00 -2.87 0.00 0.00 58.31 52.22 2vvi n LYS 135 Cb 0.65 -1.73 -0.06 0.00 -1.84 0.00 0.00 35.03 32.05 2vvi n LYS 135 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 2vvi s THR 136 N -2.01 4.74 -0.19 -0.18 -4.23 -1.26 -1.09 115.64 111.42 2vvi s THR 136 Ca 0.41 0.88 -0.10 0.00 -1.18 0.00 0.00 61.69 61.70 2vvi s THR 136 Cb 0.28 -3.66 -0.08 0.00 1.34 0.00 0.00 72.50 70.37 2vvi s THR 136 CO 0.16 -0.05 -0.25 0.18 -0.54 0.00 0.00 174.62 174.12 2vvi n LEU 137 N -0.02 1.39 -3.56 4.79 4.77 0.17 -4.82 117.00 119.72 2vvi n LEU 137 Ca 0.01 0.23 -0.07 0.00 -0.03 0.00 0.00 56.01 56.15 2vvi n LEU 137 Cb 0.52 -0.57 -0.03 0.00 -2.33 0.00 0.00 43.42 41.02 2vvi n LEU 137 CO 0.43 0.41 0.85 -1.59 -1.33 0.00 0.00 177.39 176.15 2vvi s LYS 138 N -2.35 0.55 0.06 3.23 -2.85 -1.20 -4.99 119.74 112.18 2vvi s LYS 138 Ca -0.27 -0.13 -0.30 0.00 -1.00 0.00 0.00 55.97 54.27 2vvi s LYS 138 Cb 0.10 0.25 -0.05 0.00 -2.06 0.00 0.00 37.83 36.08 2vvi s LYS 138 CO 0.34 -0.22 1.11 -1.58 0.10 0.00 0.00 175.35 175.09 2vvi s TRP 139 N -2.36 3.55 0.58 1.78 0.52 -1.26 0.09 118.94 121.83 2vvi s TRP 139 Ca 0.06 1.49 -0.16 0.00 0.02 0.00 0.00 56.10 57.50 2vvi s TRP 139 Cb -0.01 -3.29 -0.04 0.00 -1.15 0.00 0.00 33.47 28.98 2vvi s TRP 139 CO -0.05 -0.73 1.06 -1.21 0.02 0.00 0.00 176.95 176.04 2vvi s GLU 140 N 0.80 3.36 0.48 4.98 0.41 0.36 -4.71 118.70 124.38 2vvi s GLU 140 Ca 0.55 1.24 -0.24 0.00 -0.41 0.00 0.00 54.97 56.11 2vvi s GLU 140 Cb -0.27 -2.04 -0.07 0.00 -1.78 0.00 0.00 34.13 29.98 2vvi s GLU 140 CO 0.30 -0.78 1.39 -1.25 -0.49 0.00 0.00 175.26 174.43 2vvi s PRO 141 N -3.96 3.50 0.30 0.39 0.04 -1.26 -4.68 135.00 129.32 2vvi s PRO 141 Ca 0.64 2.33 -0.05 0.00 0.04 0.00 0.00 61.00 63.96 2vvi s PRO 141 Cb -0.16 -2.51 -0.00 0.00 0.04 0.00 0.00 34.50 31.86 2vvi s PRO 141 CO 0.35 -0.94 0.44 0.45 0.04 0.00 0.00 177.00 177.34 2vvi s SER 142 N -0.69 0.52 -0.10 6.66 0.15 -1.06 -4.96 113.70 114.22 2vvi s SER 142 Ca 0.65 -1.31 0.01 0.00 0.70 0.00 0.00 55.95 56.00 2vvi s SER 142 Cb -0.42 0.61 0.02 0.00 -1.71 0.00 0.00 66.02 64.52 2vvi s SER 142 CO 0.53 -1.21 -0.13 -0.89 1.20 0.00 0.00 173.24 172.74 2vvi s THR 143 N -3.45 1.30 -0.04 6.45 2.01 -1.26 -1.68 115.64 118.97 2vvi s THR 143 Ca 0.29 -0.52 -0.18 0.00 0.31 0.00 0.00 61.69 61.60 2vvi s THR 143 Cb 0.00 -1.22 -0.05 0.00 0.01 0.00 0.00 72.50 71.24 2vvi s THR 143 CO 0.16 0.40 0.48 -0.70 -0.69 0.00 0.00 174.62 174.28 2vvi s GLU 144 N 1.12 4.18 -0.18 4.92 2.12 0.27 -4.72 118.70 126.42 2vvi s GLU 144 Ca -0.05 0.52 -0.17 0.00 0.36 0.00 0.00 54.97 55.63 2vvi s GLU 144 Cb -0.14 -3.32 -0.04 0.00 0.26 0.00 0.00 34.13 30.88 2vvi s GLU 144 CO -0.03 0.43 0.43 0.15 -0.54 0.00 0.00 175.26 175.71 2vvi s LYS 145 N -0.29 4.22 -0.20 4.30 3.01 -0.21 -0.84 119.74 129.74 2vvi s LYS 145 Ca 0.26 0.29 -0.02 0.00 -1.01 0.00 0.00 55.97 55.49 2vvi s LYS 145 Cb -0.17 -3.51 -0.00 0.00 -1.01 0.00 0.00 37.83 33.14 2vvi s LYS 145 CO 0.13 0.00 -0.09 -1.64 0.51 0.00 0.00 175.35 174.26 2vvi s MET 146 N 1.16 3.30 0.25 1.68 -1.94 0.31 -0.55 119.30 123.51 2vvi s MET 146 Ca 0.21 -0.68 -0.21 0.00 -1.71 0.00 0.00 55.69 53.31 2vvi s MET 146 Cb -0.15 -2.85 0.03 0.00 2.01 0.00 0.00 34.83 33.87 2vvi s MET 146 CO 0.08 -0.12 0.67 1.52 -0.01 0.00 0.00 175.02 177.16 2vvi s TYR 147 N 1.23 -0.22 -0.16 -0.03 -0.85 -0.39 -1.43 117.35 115.50 2vvi s TYR 147 Ca 0.03 -0.19 -0.25 0.00 -0.52 0.00 0.00 57.07 56.14 2vvi s TYR 147 Cb -0.14 0.63 -0.02 0.00 0.38 0.00 0.00 41.96 42.82 2vvi s TYR 147 CO -0.04 -1.14 0.81 0.08 -1.52 0.00 0.00 175.55 173.74 2vvi s VAL 148 N -3.89 4.90 -0.05 -3.49 1.01 -1.26 -0.53 120.40 117.09 2vvi s VAL 148 Ca 0.10 1.58 0.01 0.00 0.00 0.00 0.00 61.98 63.67 2vvi s VAL 148 Cb -0.05 -4.11 0.02 0.00 0.00 0.00 0.00 36.38 32.24 2vvi s VAL 148 CO 0.03 0.05 -0.04 -0.60 0.00 0.00 0.00 175.10 174.54 2vvi s ARG 149 N 2.03 0.84 -1.42 2.72 3.52 0.33 -4.79 118.95 122.18 2vvi s ARG 149 Ca 0.37 -0.10 -0.09 0.00 -0.13 0.00 0.00 55.73 55.78 2vvi s ARG 149 Cb -0.17 -0.87 0.06 0.00 -1.56 0.00 0.00 34.95 32.42 2vvi s ARG 149 CO 0.13 -0.10 0.66 -0.25 -0.81 0.00 0.00 175.30 174.93 2vvi n ASP 150 N 4.14 -4.65 0.00 -2.12 8.00 -1.26 -1.31 116.55 119.34 2vvi n ASP 150 Ca -0.23 -0.47 0.00 0.00 0.71 0.00 0.00 54.79 54.80 2vvi n ASP 150 Cb 0.51 -3.78 0.00 0.00 -0.02 0.00 0.00 41.12 37.83 2vvi n ASP 150 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vvi n GLY 151 N -1.41 0.61 3.06 0.44 0.00 -1.26 -5.01 105.19 101.61 2vvi n GLY 151 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 2vvi n GLY 151 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vvi s VAL 152 N -2.44 1.15 0.04 1.61 1.01 -0.43 -5.10 120.40 116.24 2vvi s VAL 152 Ca 0.00 -0.53 -0.31 0.00 0.00 0.00 0.00 61.98 61.13 2vvi s VAL 152 Cb 0.00 -1.02 -0.10 0.00 0.00 0.00 0.00 36.38 35.26 2vvi s VAL 152 CO 0.00 0.35 1.91 -0.11 0.00 0.00 0.00 175.10 177.25 2vvi n LEU 153 N 3.45 3.95 -4.15 3.92 7.94 -1.25 -0.51 117.00 130.34 2vvi n LEU 153 Ca -0.20 0.95 -0.27 0.00 -1.11 0.00 0.00 56.01 55.38 2vvi n LEU 153 Cb 0.53 -1.50 -0.16 0.00 0.53 0.00 0.00 43.42 42.82 2vvi n LEU 153 CO 0.25 0.13 -0.51 -0.89 -1.11 0.00 0.00 177.39 175.25 2vvi s THR 154 N 3.81 1.53 -0.21 1.96 2.01 0.31 -0.83 115.64 124.22 2vvi s THR 154 Ca 0.88 -0.77 -0.04 0.00 0.31 0.00 0.00 61.69 62.06 2vvi s THR 154 Cb -0.51 -1.31 -0.02 0.00 0.01 0.00 0.00 72.50 70.67 2vvi s THR 154 CO 0.43 0.44 -0.02 -0.83 -0.69 0.00 0.00 174.62 173.94 2vvi s GLY 155 N 0.03 1.65 -0.08 4.40 0.00 0.63 -1.27 107.32 112.69 2vvi s GLY 155 Ca -0.04 -1.10 0.05 0.00 0.00 0.00 0.00 44.72 43.63 2vvi s GLY 155 CO 0.03 0.35 -0.24 0.51 0.00 0.00 0.00 173.10 173.75 2vvi s ASP 156 N 1.30 3.12 -0.13 1.64 1.47 0.29 -0.34 116.67 124.01 2vvi s ASP 156 Ca 0.04 -0.53 -0.12 0.00 1.18 0.00 0.00 52.55 53.12 2vvi s ASP 156 Cb -0.14 -1.19 0.04 0.00 -0.34 0.00 0.00 42.92 41.28 2vvi s ASP 156 CO -0.01 0.19 0.35 -0.51 0.68 0.00 0.00 175.17 175.88 2vvi s ILE 157 N 0.14 -0.00 -0.34 2.11 2.07 -0.62 -1.04 121.20 123.51 2vvi s ILE 157 Ca -0.13 0.02 -0.10 0.00 -1.41 0.00 0.00 60.65 59.03 2vvi s ILE 157 Cb -0.16 -0.50 0.01 0.00 0.13 0.00 0.00 42.46 41.94 2vvi s ILE 157 CO 0.07 0.01 0.17 0.42 -1.91 0.00 0.00 174.94 173.69 2vvi s THR 158 N 0.36 4.49 0.29 4.00 -4.23 -1.26 -0.73 115.64 118.56 2vvi s THR 158 Ca -0.01 -0.67 0.07 0.00 -1.18 0.00 0.00 61.69 59.89 2vvi s THR 158 Cb -0.03 -3.40 -0.03 0.00 1.34 0.00 0.00 72.50 70.37 2vvi s THR 158 CO -0.01 -0.08 0.27 -0.04 -0.54 0.00 0.00 174.62 174.22 2vvi s MET 159 N 1.57 2.91 -0.03 3.99 1.00 0.15 -4.87 119.30 124.01 2vvi s MET 159 Ca 0.03 -1.11 0.01 0.00 0.00 0.00 0.00 55.69 54.62 2vvi s MET 159 Cb -0.18 -2.58 0.02 0.00 0.00 0.00 0.00 34.83 32.08 2vvi s MET 159 CO 0.06 0.26 -0.04 0.00 0.00 0.00 0.00 175.02 175.30 2vvi s ALA 160 N -2.19 0.56 -0.12 3.03 0.00 -1.26 -1.16 121.76 120.62 2vvi s ALA 160 Ca 0.37 -0.05 -0.19 0.00 0.00 0.00 0.00 51.96 52.08 2vvi s ALA 160 Cb -0.07 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 2vvi s ALA 160 CO 0.26 0.02 0.53 -0.51 0.00 0.00 0.00 175.76 176.06 2vvi s LEU 161 N 0.67 4.27 0.11 0.00 1.43 -0.17 -0.49 118.68 124.50 2vvi s LEU 161 Ca -0.08 0.88 -0.30 0.00 -1.03 0.00 0.00 54.13 53.59 2vvi s LEU 161 Cb -0.12 -2.78 -0.06 0.00 0.03 0.00 0.00 46.19 43.26 2vvi s LEU 161 CO -0.00 -0.05 1.17 -0.22 0.23 0.00 0.00 176.35 177.48 2vvi s LEU 162 N 0.81 4.41 0.30 1.79 2.96 0.11 -0.27 118.68 128.80 2vvi s LEU 162 Ca 0.28 2.06 0.07 0.00 -0.22 0.00 0.00 54.13 56.32 2vvi s LEU 162 Cb -0.16 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 42.92 2vvi s LEU 162 CO 0.12 -0.40 0.29 -0.76 -1.32 0.00 0.00 176.35 174.29 2vvi s LEU 163 N 0.54 3.78 0.30 -0.68 1.43 0.88 0.41 118.68 125.34 2vvi s LEU 163 Ca 0.56 -0.33 -0.29 0.00 -1.03 0.00 0.00 54.13 53.04 2vvi s LEU 163 Cb -0.30 -2.39 -0.11 0.00 0.03 0.00 0.00 46.19 43.43 2vvi s LEU 163 CO 0.32 -0.24 1.46 -1.61 0.23 0.00 0.00 176.35 176.50 2vvi s GLU 164 N -3.97 4.22 0.00 1.70 2.02 -0.25 -1.71 118.70 120.71 2vvi s GLU 164 Ca 0.38 2.40 0.00 0.00 0.02 0.00 0.00 54.97 57.77 2vvi s GLU 164 Cb -0.07 -3.06 0.00 0.00 0.10 0.00 0.00 34.13 31.10 2vvi s GLU 164 CO 0.27 -0.44 0.00 0.41 0.02 0.00 0.00 175.26 175.52 2vvi n GLY 165 N 1.61 0.76 3.19 -1.39 0.00 -1.26 -4.48 105.19 103.61 2vvi n GLY 165 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2vvi n GLY 165 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2vvi n ASN 166 N 0.00 0.00 -4.73 1.61 5.03 -0.69 -5.03 115.26 111.45 2vvi n ASN 166 Ca 0.00 0.00 -0.31 0.00 0.87 0.00 0.00 54.58 55.14 2vvi n ASN 166 Cb 0.00 -0.46 0.12 0.00 -1.02 0.00 0.00 39.78 38.42 2vvi n ASN 166 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2vvi s ALA 167 N -3.44 1.95 0.21 5.41 0.00 -1.26 -4.74 121.76 119.90 2vvi s ALA 167 Ca 0.00 0.41 0.09 0.00 0.00 0.00 0.00 51.96 52.46 2vvi s ALA 167 Cb 0.00 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 2vvi s ALA 167 CO 0.00 -2.15 -0.04 -1.01 0.00 0.00 0.00 175.76 172.56 2vvi s HIS 168 N -2.78 2.69 -0.20 0.00 3.76 -1.26 -0.08 115.29 117.42 2vvi s HIS 168 Ca 0.64 -0.21 -0.01 0.00 -0.15 0.00 0.00 55.06 55.33 2vvi s HIS 168 Cb -0.20 -1.26 0.06 0.00 1.11 0.00 0.00 32.58 32.29 2vvi s HIS 168 CO 0.56 0.56 -0.01 -0.47 -0.85 0.00 0.00 174.74 174.53 2vvi s TYR 169 N -1.96 1.59 0.27 1.40 5.04 0.63 -4.92 117.35 119.39 2vvi s TYR 169 Ca 0.28 -1.18 -0.29 0.00 -2.44 0.00 0.00 57.07 53.44 2vvi s TYR 169 Cb -0.08 -1.25 -0.09 0.00 0.35 0.00 0.00 41.96 40.88 2vvi s TYR 169 CO 0.18 -0.66 0.95 1.03 -1.34 0.00 0.00 175.55 175.71 2vvi s ARG 170 N 1.67 4.75 -0.07 4.97 0.52 -1.26 -1.00 118.95 128.53 2vvi s ARG 170 Ca -0.02 1.45 -0.01 0.00 -0.52 0.00 0.00 55.73 56.63 2vvi s ARG 170 Cb -0.17 -3.11 0.03 0.00 0.52 0.00 0.00 34.95 32.22 2vvi s ARG 170 CO -0.07 0.42 0.01 0.00 0.02 0.00 0.00 175.30 175.68 2vvi s ASP 172 N 2.01 6.35 -0.08 0.00 1.01 -0.12 -0.68 116.67 125.16 2vvi s ASP 172 Ca 0.05 0.41 0.04 0.00 0.71 0.00 0.00 52.55 53.76 2vvi s ASP 172 Cb -0.12 -2.24 -0.00 0.00 1.01 0.00 0.00 42.92 41.57 2vvi s ASP 172 CO -0.05 -0.19 -0.22 -0.55 0.21 0.00 0.00 175.17 174.37 2vvi s SER 173 N 1.48 2.83 -0.11 0.27 0.15 0.09 -0.88 113.70 117.53 2vvi s SER 173 Ca 0.18 -0.50 0.02 0.00 0.70 0.00 0.00 55.95 56.36 2vvi s SER 173 Cb -0.15 -1.14 0.01 0.00 -1.71 0.00 0.00 66.02 63.03 2vvi s SER 173 CO 0.09 0.16 -0.19 -0.60 1.20 0.00 0.00 173.24 173.91 2vvi s ARG 174 N 0.25 2.58 -0.08 5.44 3.52 -0.98 -1.59 118.95 128.09 2vvi s ARG 174 Ca -0.14 -0.70 0.03 0.00 -0.13 0.00 0.00 55.73 54.80 2vvi s ARG 174 Cb -0.16 -2.10 -0.02 0.00 -1.56 0.00 0.00 34.95 31.12 2vvi s ARG 174 CO 0.07 0.00 -0.17 0.99 -0.81 0.00 0.00 175.30 175.37 2vvi s THR 175 N 0.79 2.72 -0.09 4.11 2.01 0.54 -1.60 115.64 124.12 2vvi s THR 175 Ca -0.09 -0.82 -0.01 0.00 0.31 0.00 0.00 61.69 61.08 2vvi s THR 175 Cb -0.16 -2.07 -0.03 0.00 0.01 0.00 0.00 72.50 70.25 2vvi s THR 175 CO 0.01 0.56 -0.04 0.42 -0.69 0.00 0.00 174.62 174.88 2vvi s THR 176 N -0.18 3.91 -0.09 -0.82 -4.23 -0.26 -0.26 115.64 113.70 2vvi s THR 176 Ca -0.01 -0.39 0.04 0.00 -1.18 0.00 0.00 61.69 60.15 2vvi s THR 176 Cb -0.13 -2.63 0.00 0.00 1.34 0.00 0.00 72.50 71.07 2vvi s THR 176 CO 0.03 0.58 -0.22 -0.31 -0.54 0.00 0.00 174.62 174.17 2vvi s TYR 177 N -0.62 2.33 -0.13 3.99 2.02 -0.01 -1.93 117.35 123.00 2vvi s TYR 177 Ca 0.10 -0.91 -0.02 0.00 -0.37 0.00 0.00 57.07 55.86 2vvi s TYR 177 Cb -0.12 -1.57 0.04 0.00 -0.40 0.00 0.00 41.96 39.92 2vvi s TYR 177 CO 0.02 -0.37 0.01 0.15 -1.57 0.00 0.00 175.55 173.79 2vvi s LYS 178 N 0.34 0.71 0.43 -0.62 1.02 -0.13 -3.95 119.74 117.54 2vvi s LYS 178 Ca -0.16 -0.17 -0.25 0.00 0.02 0.00 0.00 55.97 55.41 2vvi s LYS 178 Cb -0.17 -1.55 -0.08 0.00 -0.52 0.00 0.00 37.83 35.51 2vvi s LYS 178 CO 0.07 -0.46 1.24 0.00 -0.92 0.00 0.00 175.35 175.28 2vvi s ALA 179 N 1.90 3.12 0.21 5.17 0.00 -1.26 -1.38 121.76 129.51 2vvi s ALA 179 Ca 0.02 1.09 0.03 0.00 0.00 0.00 0.00 51.96 53.10 2vvi s ALA 179 Cb -0.14 -3.44 0.16 0.00 0.00 0.00 0.00 23.12 19.70 2vvi s ALA 179 CO -0.07 -0.75 1.50 0.87 0.00 0.00 0.00 175.76 177.31 2vvi h LYS 180 N 2.41 0.27 -6.33 0.00 1.57 -1.49 -3.46 116.57 109.53 2vvi h LYS 180 Ca -0.49 -0.21 -0.54 0.00 -1.87 0.00 0.00 60.65 57.54 2vvi h LYS 180 Cb 1.25 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.58 2vvi h LYS 180 CO 0.61 0.85 -0.23 -2.00 -0.57 0.00 0.00 179.45 178.11 2vvi s GLU 181 N -3.63 3.62 0.78 3.15 2.56 -1.26 -5.06 118.70 118.85 2vvi s GLU 181 Ca -0.04 -0.08 -0.11 0.00 0.00 0.00 0.00 54.97 54.74 2vvi s GLU 181 Cb 0.11 -2.75 0.06 0.00 2.00 0.00 0.00 34.13 33.56 2vvi s GLU 181 CO 0.81 0.34 1.09 -1.59 -0.56 0.00 0.00 175.26 175.34 2vvi s LYS 182 N -3.19 2.20 -0.37 4.30 0.00 -1.26 -4.38 119.74 117.04 2vvi s LYS 182 Ca 0.42 1.04 0.00 0.00 0.00 0.00 0.00 55.97 57.43 2vvi s LYS 182 Cb -0.11 -1.90 0.00 0.00 0.00 0.00 0.00 37.83 35.82 2vvi s LYS 182 CO 0.27 -1.64 0.00 0.41 0.00 0.00 0.00 175.35 174.39 2vvi n GLY 183 N -1.40 0.54 3.56 0.59 0.00 -1.26 -5.01 105.19 102.22 2vvi n GLY 183 Ca 0.08 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 2vvi n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2vvi s VAL 184 N -2.15 4.92 0.25 1.61 1.01 -1.26 -5.02 120.40 119.75 2vvi s VAL 184 Ca 0.00 0.49 -0.31 0.00 0.00 0.00 0.00 61.98 62.16 2vvi s VAL 184 Cb 0.00 -4.06 -0.12 0.00 0.00 0.00 0.00 36.38 32.20 2vvi s VAL 184 CO 0.00 -0.31 1.65 1.17 0.00 0.00 0.00 175.10 177.62 2vvi n LYS 185 N 5.98 2.71 -2.72 2.72 4.81 -1.26 -4.96 118.16 125.44 2vvi n LYS 185 Ca -0.02 0.97 -0.41 0.00 -0.87 0.00 0.00 58.31 57.98 2vvi n LYS 185 Cb 0.49 -2.78 -0.04 0.00 0.02 0.00 0.00 35.03 32.71 2vvi n LYS 185 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2vvi s LEU 186 N 0.34 4.51 0.63 3.14 1.43 -1.26 -4.72 118.68 122.75 2vvi s LEU 186 Ca 0.70 1.81 -0.12 0.00 -1.03 0.00 0.00 54.13 55.48 2vvi s LEU 186 Cb -0.51 -3.59 -0.03 0.00 0.03 0.00 0.00 46.19 42.09 2vvi s LEU 186 CO 0.41 -0.06 1.04 -2.16 0.23 0.00 0.00 176.35 175.80 2vvi s PRO 187 N -0.06 3.36 0.80 1.29 0.04 -1.26 -5.00 135.00 134.17 2vvi s PRO 187 Ca 0.47 0.93 -0.12 0.00 0.04 0.00 0.00 61.00 62.32 2vvi s PRO 187 Cb -0.24 -2.05 0.08 0.00 0.04 0.00 0.00 34.50 32.33 2vvi s PRO 187 CO 0.30 -0.76 1.15 0.20 0.04 0.00 0.00 177.00 177.94 2vvi s GLY 188 N -3.65 1.60 0.20 0.56 0.00 -1.26 -4.60 107.32 100.17 2vvi s GLY 188 Ca 0.58 -0.55 -0.32 0.00 0.00 0.00 0.00 44.72 44.44 2vvi s GLY 188 CO 0.48 -0.07 1.20 2.98 0.00 0.00 0.00 173.10 177.69 2vvi n TYR 189 N -3.33 1.49 -3.87 1.90 9.36 -1.26 -4.83 117.16 116.63 2vvi n TYR 189 Ca 0.07 0.63 -0.08 0.00 3.32 0.00 0.00 57.90 61.85 2vvi n TYR 189 Cb 0.60 -2.32 -0.02 0.00 -0.63 0.00 0.00 39.34 36.97 2vvi n TYR 189 CO 0.00 0.00 0.00 -3.38 0.22 0.00 0.00 176.86 173.70 2vvi s HIS 190 N -0.26 -0.08 0.13 2.98 -3.43 -0.51 -4.98 115.29 109.14 2vvi s HIS 190 Ca 0.70 -0.41 0.10 0.00 -0.80 0.00 0.00 55.06 54.65 2vvi s HIS 190 Cb -0.79 0.68 -0.04 0.00 -1.43 0.00 0.00 32.58 31.00 2vvi s HIS 190 CO 0.52 -1.27 -0.21 -0.51 -2.00 0.00 0.00 174.74 171.27 2vvi s LEU 191 N -2.96 2.58 -0.18 5.38 1.43 -0.43 -0.53 118.68 123.98 2vvi s LEU 191 Ca 0.13 -0.64 -0.01 0.00 -1.03 0.00 0.00 54.13 52.58 2vvi s LEU 191 Cb -0.05 -1.43 0.05 0.00 0.03 0.00 0.00 46.19 44.79 2vvi s LEU 191 CO 0.08 0.17 -0.03 -0.69 0.23 0.00 0.00 176.35 176.12 2vvi s VAL 192 N -1.17 0.96 0.22 -1.59 1.01 -0.02 -1.08 120.40 118.73 2vvi s VAL 192 Ca 0.17 -0.64 -0.27 0.00 0.00 0.00 0.00 61.98 61.24 2vvi s VAL 192 Cb -0.10 -1.24 -0.09 0.00 0.00 0.00 0.00 36.38 34.95 2vvi s VAL 192 CO 0.09 0.02 0.87 -1.81 0.00 0.00 0.00 175.10 174.27 2vvi s ASP 193 N 1.68 7.48 0.06 3.32 1.01 0.05 -0.56 116.67 129.71 2vvi s ASP 193 Ca -0.00 1.79 -0.10 0.00 0.71 0.00 0.00 52.55 54.95 2vvi s ASP 193 Cb -0.16 -2.55 0.01 0.00 1.01 0.00 0.00 42.92 41.22 2vvi s ASP 193 CO -0.07 0.14 0.21 -1.38 0.21 0.00 0.00 175.17 174.28 2vvi s HIS 194 N -1.25 0.05 -0.00 4.23 -3.43 -0.68 -0.08 115.29 114.14 2vvi s HIS 194 Ca 0.40 -0.33 0.02 0.00 -0.80 0.00 0.00 55.06 54.36 2vvi s HIS 194 Cb -0.23 -0.01 -0.01 0.00 -1.43 0.00 0.00 32.58 30.90 2vvi s HIS 194 CO 0.28 -0.48 -0.07 0.00 -2.00 0.00 0.00 174.74 172.47 2vvi s ILE 196 N -0.24 0.98 -0.07 0.00 1.10 -1.26 -1.96 121.20 119.75 2vvi s ILE 196 Ca 0.02 -0.45 -0.03 0.00 -0.51 0.00 0.00 60.65 59.68 2vvi s ILE 196 Cb -0.03 -0.88 0.04 0.00 0.15 0.00 0.00 42.46 41.74 2vvi s ILE 196 CO -0.00 0.30 0.15 -0.70 -2.11 0.00 0.00 174.94 172.58 2vvi s GLU 197 N 0.29 0.09 -0.58 3.50 2.12 0.30 -4.59 118.70 119.83 2vvi s GLU 197 Ca -0.06 0.41 -0.28 0.00 0.36 0.00 0.00 54.97 55.40 2vvi s GLU 197 Cb -0.11 -0.19 0.03 0.00 0.26 0.00 0.00 34.13 34.12 2vvi s GLU 197 CO 0.01 -0.18 1.25 0.42 -0.54 0.00 0.00 175.26 176.22 2vvi s ILE 198 N 1.32 3.95 0.20 -3.70 1.01 -1.26 -0.51 121.20 122.21 2vvi s ILE 198 Ca -0.08 0.83 -0.04 0.00 0.00 0.00 0.00 60.65 61.36 2vvi s ILE 198 Cb -0.12 -4.67 -0.02 0.00 0.01 0.00 0.00 42.46 37.66 2vvi s ILE 198 CO -0.06 -1.33 1.55 -0.07 0.00 0.00 0.00 174.94 175.03 2vvi h LEU 199 N 12.25 0.70 -7.03 2.97 3.38 -0.60 -3.47 115.31 123.51 2vvi h LEU 199 Ca -0.26 -0.32 0.06 0.00 0.09 0.00 0.00 57.88 57.45 2vvi h LEU 199 Cb 1.06 -0.20 -0.14 0.00 0.09 0.00 0.00 40.66 41.48 2vvi h LEU 199 CO 1.19 1.03 0.38 -0.94 0.09 0.00 0.00 178.44 180.19 2vvi s SER 200 N -6.86 -0.44 -0.03 -0.43 1.04 -1.21 -5.01 113.70 100.77 2vvi s SER 200 Ca -0.08 -0.02 -0.29 0.00 0.48 0.00 0.00 55.95 56.04 2vvi s SER 200 Cb 0.12 0.48 0.09 0.00 0.10 0.00 0.00 66.02 66.80 2vvi s SER 200 CO 0.84 -0.78 0.76 -1.38 0.98 0.00 0.00 173.24 173.66 2vvi s HIS 201 N -3.39 -0.53 0.74 5.02 -3.43 -1.26 -0.69 115.29 111.75 2vvi s HIS 201 Ca 0.04 0.74 -0.10 0.00 -0.80 0.00 0.00 55.06 54.94 2vvi s HIS 201 Cb -0.01 0.47 0.05 0.00 -1.43 0.00 0.00 32.58 31.66 2vvi s HIS 201 CO -0.10 -0.59 1.09 0.16 -2.00 0.00 0.00 174.74 173.30 2vvi s ASP 202 N -1.66 4.88 0.29 7.38 1.47 -0.92 -4.94 116.67 123.17 2vvi s ASP 202 Ca -0.04 0.75 0.04 0.00 1.18 0.00 0.00 52.55 54.48 2vvi s ASP 202 Cb -0.00 -1.40 0.69 0.00 -0.34 0.00 0.00 42.92 41.87 2vvi s ASP 202 CO 0.01 -1.63 1.77 0.50 0.68 0.00 0.00 175.17 176.50 2vvi h LYS 203 N -0.76 0.69 -0.34 2.11 3.64 -2.02 -0.31 116.57 119.57 2vvi h LYS 203 Ca -0.45 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2vvi h LYS 203 Cb 1.30 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.97 2vvi h LYS 203 CO 0.63 0.45 0.00 -0.25 -2.27 0.00 0.00 179.45 178.02 2vvi n ASP 204 N -4.81 2.92 -1.92 4.20 8.00 -1.26 -4.93 116.55 118.75 2vvi n ASP 204 Ca 0.22 -1.92 -0.20 0.00 0.71 0.00 0.00 54.79 53.60 2vvi n ASP 204 Cb 0.55 -0.22 -0.04 0.00 -0.02 0.00 0.00 41.12 41.39 2vvi n ASP 204 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2vvi n TYR 205 N 1.14 -0.53 0.28 1.24 4.02 -0.13 -4.33 117.16 118.85 2vvi n TYR 205 Ca 0.18 0.00 0.16 0.00 -0.01 0.00 0.00 57.90 58.24 2vvi n TYR 205 Cb 0.52 -3.58 0.78 0.00 -0.02 0.00 0.00 39.34 37.03 2vvi n TYR 205 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 2vvi h ASN 206 N 0.00 0.00 -3.41 7.72 2.35 -1.92 -3.42 115.58 116.91 2vvi h ASN 206 Ca -0.44 0.00 -0.39 0.00 -0.55 0.00 0.00 56.30 54.93 2vvi h ASN 206 Cb 1.32 0.00 -0.36 0.00 0.05 0.00 0.00 38.32 39.33 2vvi h ASN 206 CO 0.57 0.06 -0.76 -0.54 -1.65 0.00 0.00 177.43 175.11 2vvi s LYS 207 N -3.89 0.47 -0.00 0.81 1.02 -1.26 -0.82 119.74 116.06 2vvi s LYS 207 Ca -0.01 0.07 0.02 0.00 0.02 0.00 0.00 55.97 56.07 2vvi s LYS 207 Cb 0.11 -0.69 -0.00 0.00 -0.52 0.00 0.00 37.83 36.72 2vvi s LYS 207 CO 0.54 -0.19 -0.06 0.08 -0.92 0.00 0.00 175.35 174.81 2vvi s VAL 208 N 1.35 0.44 -0.24 3.17 1.01 0.01 -2.17 120.40 123.97 2vvi s VAL 208 Ca -0.05 -0.26 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 2vvi s VAL 208 Cb -0.13 -0.37 -0.01 0.00 0.00 0.00 0.00 36.38 35.87 2vvi s VAL 208 CO -0.02 0.11 0.00 -0.75 0.00 0.00 0.00 175.10 174.44 2vvi s LYS 209 N -0.17 3.34 -0.04 2.72 2.20 0.14 0.13 119.74 128.06 2vvi s LYS 209 Ca 0.02 -0.66 0.06 0.00 -0.36 0.00 0.00 55.97 55.02 2vvi s LYS 209 Cb -0.02 -3.14 -0.02 0.00 -1.51 0.00 0.00 37.83 33.13 2vvi s LYS 209 CO -0.00 -0.26 -0.20 -1.17 -0.36 0.00 0.00 175.35 173.36 2vvi s LEU 210 N 1.50 2.38 0.01 5.43 2.96 0.32 0.21 118.68 131.50 2vvi s LEU 210 Ca 0.05 -0.34 0.03 0.00 -0.22 0.00 0.00 54.13 53.66 2vvi s LEU 210 Cb -0.15 -1.44 -0.01 0.00 0.50 0.00 0.00 46.19 45.08 2vvi s LEU 210 CO -0.01 0.33 -0.10 -0.47 -1.32 0.00 0.00 176.35 174.78 2vvi s TYR 211 N -0.66 0.92 -0.00 5.38 5.04 0.33 -0.56 117.35 127.80 2vvi s TYR 211 Ca 0.10 -0.26 -0.01 0.00 -2.44 0.00 0.00 57.07 54.46 2vvi s TYR 211 Cb -0.10 -0.57 -0.00 0.00 0.35 0.00 0.00 41.96 41.64 2vvi s TYR 211 CO -0.00 -0.01 0.02 -2.00 -1.34 0.00 0.00 175.55 172.22 2vvi s GLU 212 N -0.69 0.11 -0.07 4.97 2.12 -0.31 -0.54 118.70 124.30 2vvi s GLU 212 Ca 0.01 -0.11 0.04 0.00 0.36 0.00 0.00 54.97 55.27 2vvi s GLU 212 Cb -0.06 0.05 0.00 0.00 0.26 0.00 0.00 34.13 34.38 2vvi s GLU 212 CO 0.00 -0.02 -0.18 -1.58 -0.54 0.00 0.00 175.26 172.94 2vvi s HIS 213 N -0.35 1.92 -0.04 5.30 5.65 -0.83 -1.60 115.29 125.35 2vvi s HIS 213 Ca -0.04 -0.69 0.02 0.00 0.25 0.00 0.00 55.06 54.60 2vvi s HIS 213 Cb -0.03 -1.32 0.01 0.00 -1.18 0.00 0.00 32.58 30.07 2vvi s HIS 213 CO -0.00 -0.28 -0.07 0.00 -0.65 0.00 0.00 174.74 173.73 2vvi s ALA 214 N 0.33 0.80 -0.07 1.58 0.00 -0.01 -1.16 121.76 123.23 2vvi s ALA 214 Ca -0.12 -0.22 -0.01 0.00 0.00 0.00 0.00 51.96 51.61 2vvi s ALA 214 Cb -0.15 -0.37 0.03 0.00 0.00 0.00 0.00 23.12 22.62 2vvi s ALA 214 CO 0.05 0.08 -0.01 0.08 0.00 0.00 0.00 175.76 175.95 2vvi s VAL 215 N 0.51 0.47 0.14 0.00 1.01 0.88 -1.31 120.40 122.11 2vvi s VAL 215 Ca -0.08 0.05 -0.19 0.00 0.00 0.00 0.00 61.98 61.76 2vvi s VAL 215 Cb -0.11 -0.60 -0.07 0.00 0.00 0.00 0.00 36.38 35.59 2vvi s VAL 215 CO 0.01 0.27 0.64 0.00 0.00 0.00 0.00 175.10 176.02 2vvi s ALA 216 N 1.85 3.52 0.27 5.51 0.00 -0.60 -0.77 121.76 131.53 2vvi s ALA 216 Ca 0.04 0.09 -0.13 0.00 0.00 0.00 0.00 51.96 51.96 2vvi s ALA 216 Cb -0.12 -2.72 0.00 0.00 0.00 0.00 0.00 23.12 20.28 2vvi s ALA 216 CO -0.05 0.37 0.54 -3.38 0.00 0.00 0.00 175.76 173.24 2vvi s HIS 217 N -1.29 0.32 -2.23 0.00 -3.43 -0.24 -4.34 115.29 104.08 2vvi s HIS 217 Ca 0.35 -0.71 0.27 0.00 -0.80 0.00 0.00 55.06 54.17 2vvi s HIS 217 Cb -0.19 0.29 0.91 0.00 -1.43 0.00 0.00 32.58 32.17 2vvi s HIS 217 CO 0.21 -1.09 1.66 0.43 -2.00 0.00 0.00 174.74 173.95 2vvi n SER 218 N -0.57 1.37 -0.29 7.38 7.64 -1.26 -1.31 113.62 126.58 2vvi n SER 218 Ca -0.02 -1.28 0.03 0.00 1.01 0.00 0.00 58.87 58.61 2vvi n SER 218 Cb 0.61 0.05 -0.01 0.00 -1.01 0.00 0.00 64.21 63.86 2vvi n SER 218 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2vvi n GLY 219 N 1.24 -2.08 3.77 0.23 0.00 -1.26 -4.80 105.19 102.29 2vvi n GLY 219 Ca 0.16 -1.42 -0.41 0.00 0.00 0.00 0.00 46.02 44.36 2vvi n GLY 219 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vvi s LEU 220 N 0.00 4.40 0.24 0.99 1.43 -1.26 -1.86 118.68 122.62 2vvi s LEU 220 Ca 0.00 2.76 0.22 0.00 -1.03 0.00 0.00 54.13 56.08 2vvi s LEU 220 Cb 0.00 -3.65 0.06 0.00 0.03 0.00 0.00 46.19 42.63 2vvi s LEU 220 CO 0.00 -0.63 1.15 1.55 0.23 0.00 0.00 176.35 178.66 2vvi h PRO 221 N 3.57 0.00 -2.61 1.29 0.13 -2.06 -3.47 132.00 128.84 2vvi h PRO 221 Ca -0.49 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.30 2vvi h PRO 221 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 2vvi h PRO 221 CO 0.67 0.03 1.40 -0.25 -0.23 0.00 0.00 178.00 179.63 2vvi n ASP 222 N -2.79 5.74 0.00 1.44 9.92 -0.78 -5.14 116.55 124.94 2vvi n ASP 222 Ca 0.00 -2.39 0.00 0.00 -0.53 0.00 0.00 54.79 51.87 2vvi n ASP 222 Cb 0.57 -1.28 0.00 0.00 -0.64 0.00 0.00 41.12 39.77 2vvi n ASP 222 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87