#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vvi h ALA 3 N 0.00 1.09 -2.52 -1.46 0.00 -1.95 -3.41 119.26 111.01 2vvi h ALA 3 Ca 0.00 -0.33 -0.64 0.00 0.00 0.00 0.00 54.91 53.94 2vvi h ALA 3 Cb 0.00 -0.13 -0.15 0.00 0.00 0.00 0.00 17.79 17.51 2vvi h ALA 3 CO 0.00 0.56 -0.10 0.42 0.00 0.00 0.00 179.25 180.13 2vvi s ILE 4 N -4.57 5.07 0.13 0.00 -1.09 -1.26 -4.95 121.20 114.52 2vvi s ILE 4 Ca -0.07 0.42 0.00 0.00 -2.23 0.00 0.00 60.65 58.77 2vvi s ILE 4 Cb 0.14 -3.89 -0.04 0.00 -1.58 0.00 0.00 42.46 37.09 2vvi s ILE 4 CO 0.80 -0.10 0.29 -0.54 -1.23 0.00 0.00 174.94 174.15 2vvi s LYS 5 N 2.29 3.47 0.46 2.79 3.01 -1.26 -5.01 119.74 125.49 2vvi s LYS 5 Ca 0.18 -0.46 0.19 0.00 -1.01 0.00 0.00 55.97 54.87 2vvi s LYS 5 Cb -0.16 -2.95 1.18 0.00 -1.01 0.00 0.00 37.83 34.89 2vvi s LYS 5 CO 0.12 0.52 1.95 -1.35 0.51 0.00 0.00 175.35 177.10 2vvi h PRO 6 N 2.46 0.26 -4.00 -1.68 0.11 -1.97 -3.39 132.00 123.79 2vvi h PRO 6 Ca -0.47 -0.02 -0.54 0.00 0.11 0.00 0.00 66.00 65.08 2vvi h PRO 6 Cb 1.18 -0.06 -0.38 0.00 0.11 0.00 0.00 31.00 31.85 2vvi h PRO 6 CO 0.71 0.17 -0.78 -0.51 -0.21 0.00 0.00 178.00 177.38 2vvi s ASP 7 N -6.05 2.84 0.22 -2.05 1.01 -1.26 -3.96 116.67 107.41 2vvi s ASP 7 Ca -0.07 -0.70 0.09 0.00 0.71 0.00 0.00 52.55 52.59 2vvi s ASP 7 Cb 0.20 -0.83 -0.05 0.00 1.01 0.00 0.00 42.92 43.26 2vvi s ASP 7 CO 0.75 -0.22 -0.17 -0.04 0.21 0.00 0.00 175.17 175.70 2vvi s MET 8 N 1.69 1.42 0.29 8.23 -1.94 -0.47 -4.98 119.30 123.54 2vvi s MET 8 Ca 0.00 -1.59 0.06 0.00 -1.71 0.00 0.00 55.69 52.45 2vvi s MET 8 Cb -0.16 -1.38 -0.02 0.00 2.01 0.00 0.00 34.83 35.28 2vvi s MET 8 CO -0.07 0.25 0.38 0.15 -0.01 0.00 0.00 175.02 175.72 2vvi s LYS 9 N -3.37 3.15 -0.07 2.03 1.02 0.24 -0.99 119.74 121.75 2vvi s LYS 9 Ca 0.23 -0.97 -0.01 0.00 0.02 0.00 0.00 55.97 55.24 2vvi s LYS 9 Cb -0.03 -2.77 0.03 0.00 -0.52 0.00 0.00 37.83 34.53 2vvi s LYS 9 CO 0.09 0.22 -0.01 0.42 -0.92 0.00 0.00 175.35 175.15 2vvi s ILE 10 N -2.12 0.46 -0.07 2.17 1.01 0.12 -0.93 121.20 121.83 2vvi s ILE 10 Ca 0.39 0.04 0.01 0.00 0.00 0.00 0.00 60.65 61.10 2vvi s ILE 10 Cb -0.09 -0.58 -0.03 0.00 0.01 0.00 0.00 42.46 41.78 2vvi s ILE 10 CO 0.29 0.26 -0.08 0.21 0.00 0.00 0.00 174.94 175.62 2vvi s ASN 11 N 1.73 4.58 -0.14 3.58 3.84 0.13 -0.88 114.94 127.77 2vvi s ASN 11 Ca 0.02 -0.05 -0.12 0.00 0.21 0.00 0.00 52.86 52.92 2vvi s ASN 11 Cb -0.13 -1.16 0.04 0.00 -0.55 0.00 0.00 41.25 39.45 2vvi s ASN 11 CO -0.04 0.35 0.38 -0.22 -2.79 0.00 0.00 177.10 174.77 2vvi s LEU 12 N -0.75 0.45 -0.11 3.21 0.20 -0.56 -0.77 118.68 120.35 2vvi s LEU 12 Ca 0.11 0.77 -0.00 0.00 0.69 0.00 0.00 54.13 55.70 2vvi s LEU 12 Cb -0.11 1.27 0.02 0.00 -0.43 0.00 0.00 46.19 46.95 2vvi s LEU 12 CO 0.01 -0.14 -0.08 -0.60 -0.29 0.00 0.00 176.35 175.25 2vvi s ARG 13 N 0.44 1.60 -0.11 1.98 6.06 -0.69 -0.73 118.95 127.50 2vvi s ARG 13 Ca -0.02 -0.29 -0.03 0.00 -2.50 0.00 0.00 55.73 52.90 2vvi s ARG 13 Cb -0.04 -1.63 -0.03 0.00 0.06 0.00 0.00 34.95 33.31 2vvi s ARG 13 CO -0.02 -0.25 -0.01 1.41 -2.50 0.00 0.00 175.30 173.93 2vvi s MET 14 N 1.64 3.25 0.05 5.12 -2.45 0.31 -1.12 119.30 126.10 2vvi s MET 14 Ca 0.04 -0.44 0.05 0.00 -1.25 0.00 0.00 55.69 54.10 2vvi s MET 14 Cb -0.13 -2.86 -0.02 0.00 1.25 0.00 0.00 34.83 33.07 2vvi s MET 14 CO -0.08 0.54 -0.16 -1.21 1.05 0.00 0.00 175.02 175.16 2vvi s GLU 15 N -0.43 1.00 0.00 4.11 2.02 -0.79 -1.00 118.70 123.61 2vvi s GLU 15 Ca 0.08 -0.84 0.00 0.00 0.02 0.00 0.00 54.97 54.23 2vvi s GLU 15 Cb -0.12 -1.04 0.00 0.00 0.10 0.00 0.00 34.13 33.07 2vvi s GLU 15 CO 0.02 0.25 0.00 0.41 0.02 0.00 0.00 175.26 175.97 2vvi n GLY 16 N 1.75 0.61 3.31 -1.39 0.00 -0.74 -1.64 105.19 107.09 2vvi n GLY 16 Ca -0.18 -0.78 -0.08 0.00 0.00 0.00 0.00 46.02 44.97 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 -0.42 -0.42 -0.11 1.61 3.84 -0.44 -1.20 114.94 117.79 2vvi s ASN 17 Ca 0.00 1.03 0.03 0.00 0.21 0.00 0.00 52.86 54.13 2vvi s ASN 17 Cb 0.00 1.26 0.01 0.00 -0.55 0.00 0.00 41.25 41.96 2vvi s ASN 17 CO 0.00 -0.22 -0.21 -0.69 -2.79 0.00 0.00 177.10 173.19 2vvi s VAL 18 N 2.26 1.93 -1.21 -5.21 1.01 -0.87 -1.11 120.40 117.20 2vvi s VAL 18 Ca -0.05 -0.92 -0.02 0.00 0.00 0.00 0.00 61.98 61.00 2vvi s VAL 18 Cb -0.11 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.59 2vvi s VAL 18 CO -0.14 0.53 0.13 0.59 0.00 0.00 0.00 175.10 176.21 2vvi n ASN 19 N 3.83 -4.27 0.00 3.32 4.13 -0.07 -0.87 115.26 121.33 2vvi n ASN 19 Ca -0.20 0.04 0.00 0.00 1.68 0.00 0.00 54.58 56.10 2vvi n ASN 19 Cb 0.52 -3.58 0.00 0.00 -1.54 0.00 0.00 39.78 35.18 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 -0.94 1.45 3.55 7.41 0.00 -1.26 -5.05 105.19 110.34 2vvi n GLY 20 Ca -0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 2vvi n GLY 20 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2vvi s HIS 21 N -2.34 3.16 0.31 1.61 5.04 -0.05 -5.06 115.29 117.95 2vvi s HIS 21 Ca 0.00 0.10 -0.27 0.00 -1.54 0.00 0.00 55.06 53.35 2vvi s HIS 21 Cb 0.00 -3.01 -0.09 0.00 0.04 0.00 0.00 32.58 29.52 2vvi s HIS 21 CO 0.00 -0.62 0.97 -1.58 -2.34 0.00 0.00 174.74 171.18 2vvi s HIS 22 N 2.47 3.71 0.00 3.88 2.46 -1.26 -2.04 115.29 124.50 2vvi s HIS 22 Ca 0.19 1.79 -0.12 0.00 0.47 0.00 0.00 55.06 57.40 2vvi s HIS 22 Cb -0.15 -3.00 0.01 0.00 -0.13 0.00 0.00 32.58 29.31 2vvi s HIS 22 CO 0.14 0.09 0.24 -0.59 -2.47 0.00 0.00 174.74 172.15 2vvi s PHE 23 N -1.46 -0.07 -0.04 3.88 -0.12 -0.35 -4.14 117.98 115.68 2vvi s PHE 23 Ca 0.48 0.03 0.04 0.00 -0.05 0.00 0.00 56.93 57.44 2vvi s PHE 23 Cb -0.22 0.03 -0.00 0.00 -0.63 0.00 0.00 43.02 42.19 2vvi s PHE 23 CO 0.28 -0.38 -0.18 0.08 -0.05 0.00 0.00 175.22 174.98 2vvi s VAL 24 N -1.65 1.48 -0.06 -2.49 1.01 -0.67 -1.79 120.40 116.24 2vvi s VAL 24 Ca -0.12 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 2vvi s VAL 24 Cb -0.05 -1.27 0.03 0.00 0.00 0.00 0.00 36.38 35.09 2vvi s VAL 24 CO 0.02 0.42 -0.01 -0.63 0.00 0.00 0.00 175.10 174.90 2vvi s ILE 25 N 0.02 0.34 -0.07 2.22 1.01 -0.17 -0.24 121.20 124.32 2vvi s ILE 25 Ca -0.04 0.08 -0.07 0.00 0.00 0.00 0.00 60.65 60.62 2vvi s ILE 25 Cb -0.12 -0.46 -0.04 0.00 0.01 0.00 0.00 42.46 41.85 2vvi s ILE 25 CO 0.02 0.22 0.19 -1.81 0.00 0.00 0.00 174.94 173.57 2vvi s ASP 26 N 1.57 6.44 0.02 3.58 1.01 -0.08 -0.53 116.67 128.67 2vvi s ASP 26 Ca -0.01 0.51 0.04 0.00 0.71 0.00 0.00 52.55 53.80 2vvi s ASP 26 Cb -0.13 -2.08 -0.02 0.00 1.01 0.00 0.00 42.92 41.71 2vvi s ASP 26 CO -0.03 0.35 -0.13 -0.83 0.21 0.00 0.00 175.17 174.74 2vvi s GLY 27 N -1.28 0.69 -0.07 0.21 0.00 0.09 -0.45 107.32 106.50 2vvi s GLY 27 Ca 0.20 -0.68 -0.02 0.00 0.00 0.00 0.00 44.72 44.21 2vvi s GLY 27 CO 0.09 -0.63 0.04 -0.35 0.00 0.00 0.00 173.10 172.26 2vvi s ASP 28 N -0.76 1.49 0.00 1.64 -1.08 -0.40 -1.50 116.67 116.07 2vvi s ASP 28 Ca 0.03 -0.09 -0.00 0.00 -0.52 0.00 0.00 52.55 51.97 2vvi s ASP 28 Cb -0.06 -0.26 0.00 0.00 -1.46 0.00 0.00 42.92 41.13 2vvi s ASP 28 CO 0.00 -0.25 0.01 0.61 0.52 0.00 0.00 175.17 176.06 2vvi n GLY 29 N 5.24 2.95 3.16 2.66 0.00 -0.06 -1.13 105.19 118.01 2vvi n GLY 29 Ca -0.05 -1.32 -0.09 0.00 0.00 0.00 0.00 46.02 44.56 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 -2.52 0.15 0.31 2.61 -4.23 -0.52 -0.70 115.64 110.73 2vvi s THR 30 Ca 0.00 -1.21 -0.19 0.00 -1.18 0.00 0.00 61.69 59.12 2vvi s THR 30 Cb -0.00 -1.19 0.05 0.00 1.34 0.00 0.00 72.50 72.70 2vvi s THR 30 CO 0.00 -0.67 0.83 -0.83 -0.54 0.00 0.00 174.62 173.41 2vvi s GLY 31 N -2.56 0.16 -0.41 3.99 0.00 -0.16 -1.10 107.32 107.24 2vvi s GLY 31 Ca 0.01 -0.50 0.03 0.00 0.00 0.00 0.00 44.72 44.26 2vvi s GLY 31 CO -0.08 0.17 0.14 0.54 0.00 0.00 0.00 173.10 173.88 2vvi s LYS 32 N -2.78 1.73 0.28 2.90 1.02 0.14 -1.37 119.74 121.67 2vvi s LYS 32 Ca 0.15 -2.11 0.01 0.00 0.02 0.00 0.00 55.97 54.04 2vvi s LYS 32 Cb -0.05 -3.31 0.53 0.00 -0.52 0.00 0.00 37.83 34.49 2vvi s LYS 32 CO 0.09 -1.01 1.84 -1.35 -0.92 0.00 0.00 175.35 174.00 2vvi h PRO 33 N 7.33 1.00 0.00 -1.68 0.11 -1.79 -0.67 132.00 136.29 2vvi h PRO 33 Ca -0.06 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.99 2vvi h PRO 33 Cb 0.99 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.87 2vvi h PRO 33 CO 0.60 0.66 0.00 0.74 -0.21 0.00 0.00 178.00 179.79 2vvi h PHE 34 N 1.03 0.00 0.00 0.65 -1.00 -1.84 -2.88 116.94 112.90 2vvi h PHE 34 Ca 0.49 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.27 2vvi h PHE 34 Cb 0.44 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.00 2vvi h PHE 34 CO -0.00 0.00 -0.78 0.39 -1.61 0.00 0.00 178.31 176.30 2vvi n GLU 35 N -2.78 0.05 -2.72 1.51 1.02 -0.74 -4.40 120.64 112.58 2vvi n GLU 35 Ca 0.04 -0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.06 2vvi n GLU 35 Cb 0.46 -1.51 0.02 0.00 -0.02 0.00 0.00 31.44 30.39 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 1.48 0.05 3.16 0.62 0.00 -0.34 -4.40 105.19 105.76 2vvi n GLY 36 Ca 0.04 -0.28 -0.26 0.00 0.00 0.00 0.00 46.02 45.53 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 -5.23 1.67 -0.04 1.61 1.02 -1.07 -1.07 119.74 116.64 2vvi s LYS 37 Ca 0.18 -0.63 -0.14 0.00 0.02 0.00 0.00 55.97 55.40 2vvi s LYS 37 Cb -0.08 -1.51 0.03 0.00 -0.52 0.00 0.00 37.83 35.74 2vvi s LYS 37 CO 0.23 0.31 0.32 1.14 -0.92 0.00 0.00 175.35 176.43 2vvi s GLN 38 N -0.16 0.62 0.07 1.68 -2.07 -0.79 0.24 119.66 119.26 2vvi s GLN 38 Ca 0.01 -0.06 -0.01 0.00 -1.82 0.00 0.00 55.36 53.47 2vvi s GLN 38 Cb -0.10 0.28 -0.04 0.00 -1.09 0.00 0.00 33.01 32.07 2vvi s GLN 38 CO 0.01 -0.16 0.00 -1.54 -1.32 0.00 0.00 175.29 172.28 2vvi s SER 39 N -1.05 0.43 -0.14 12.60 1.04 -0.26 -0.77 113.70 125.56 2vvi s SER 39 Ca -0.11 -1.03 -0.15 0.00 0.48 0.00 0.00 55.95 55.15 2vvi s SER 39 Cb -0.05 0.23 0.04 0.00 0.10 0.00 0.00 66.02 66.34 2vvi s SER 39 CO 0.04 -0.64 0.40 -0.32 0.98 0.00 0.00 173.24 173.70 2vvi s MET 40 N -3.95 0.51 -0.20 4.02 0.00 -0.03 -1.44 119.30 118.21 2vvi s MET 40 Ca 0.11 0.48 -0.14 0.00 0.00 0.00 0.00 55.69 56.14 2vvi s MET 40 Cb 0.08 0.24 -0.04 0.00 0.00 0.00 0.00 34.83 35.11 2vvi s MET 40 CO -0.07 -0.07 0.31 -0.51 0.00 0.00 0.00 175.02 174.67 2vvi s ASP 41 N 0.03 6.35 -0.05 1.11 1.01 -0.29 -0.94 116.67 123.90 2vvi s ASP 41 Ca -0.02 0.40 0.02 0.00 0.71 0.00 0.00 52.55 53.67 2vvi s ASP 41 Cb -0.03 -2.19 -0.03 0.00 1.01 0.00 0.00 42.92 41.69 2vvi s ASP 41 CO 0.01 0.00 -0.10 -0.76 0.21 0.00 0.00 175.17 174.53 2vvi s LEU 42 N 1.04 2.97 -0.05 1.23 1.43 0.21 -1.28 118.68 124.25 2vvi s LEU 42 Ca 0.15 -0.11 -0.00 0.00 -1.03 0.00 0.00 54.13 53.14 2vvi s LEU 42 Cb -0.14 -1.64 0.03 0.00 0.03 0.00 0.00 46.19 44.47 2vvi s LEU 42 CO 0.06 0.35 -0.01 -0.70 0.23 0.00 0.00 176.35 176.28 2vvi s GLU 43 N -0.85 0.50 -0.10 1.70 2.12 0.40 -0.88 118.70 121.59 2vvi s GLU 43 Ca 0.12 0.06 -0.30 0.00 0.36 0.00 0.00 54.97 55.22 2vvi s GLU 43 Cb -0.11 -0.72 -0.03 0.00 0.26 0.00 0.00 34.13 33.53 2vvi s GLU 43 CO 0.02 -0.18 1.37 0.08 -0.54 0.00 0.00 175.26 176.00 2vvi s VAL 44 N 1.35 4.03 -0.13 3.70 1.01 0.28 -0.90 120.40 129.74 2vvi s VAL 44 Ca -0.05 1.29 0.19 0.00 0.00 0.00 0.00 61.98 63.41 2vvi s VAL 44 Cb -0.13 -3.83 -0.27 0.00 0.00 0.00 0.00 36.38 32.14 2vvi s VAL 44 CO -0.02 -0.09 0.22 0.29 0.00 0.00 0.00 175.10 175.50 2vvi n LYS 45 N 6.41 0.74 -3.80 2.72 4.76 0.67 -4.89 118.16 124.76 2vvi n LYS 45 Ca 0.14 -0.08 -0.12 0.00 -2.87 0.00 0.00 58.31 55.38 2vvi n LYS 45 Cb 0.44 -1.50 -0.11 0.00 -1.84 0.00 0.00 35.03 32.02 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 -2.85 0.34 0.00 1.97 2.02 -1.00 -4.91 118.70 114.27 2vvi s GLU 46 Ca -0.09 0.15 0.00 0.00 0.02 0.00 0.00 54.97 55.05 2vvi s GLU 46 Cb 0.09 0.16 0.00 0.00 0.10 0.00 0.00 34.13 34.47 2vvi s GLU 46 CO 0.83 -0.06 0.00 0.41 0.02 0.00 0.00 175.26 176.46 2vvi n GLY 47 N 2.56 0.62 3.82 -1.39 0.00 -1.26 -1.67 105.19 107.87 2vvi n GLY 47 Ca -0.15 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.04 2.46 0.33 -0.02 0.00 -1.26 -3.59 107.32 103.20 2vvi s GLY 48 Ca 0.00 0.31 -0.28 0.00 0.00 0.00 0.00 44.72 44.75 2vvi s GLY 48 CO 0.00 0.60 1.14 2.56 0.00 0.00 0.00 173.10 177.40 2vvi s PRO 49 N -2.85 4.39 0.14 2.90 0.04 -1.26 -5.10 135.00 133.26 2vvi s PRO 49 Ca 0.57 1.83 -0.31 0.00 0.04 0.00 0.00 61.00 63.13 2vvi s PRO 49 Cb -0.11 -2.96 -0.09 0.00 0.04 0.00 0.00 34.50 31.38 2vvi s PRO 49 CO 0.16 -0.02 1.42 -0.51 0.04 0.00 0.00 177.00 178.09 2vvi s LEU 50 N -1.91 4.38 0.00 -3.56 1.43 -1.24 -4.91 118.68 112.87 2vvi s LEU 50 Ca 0.50 2.42 0.26 0.00 -1.03 0.00 0.00 54.13 56.28 2vvi s LEU 50 Cb -0.31 -3.59 1.57 0.00 0.03 0.00 0.00 46.19 43.88 2vvi s LEU 50 CO 0.40 -0.68 1.97 -0.81 0.23 0.00 0.00 176.35 177.46 2vvi n PRO 51 N 3.73 0.92 -4.45 1.29 -0.04 -1.26 -4.86 135.00 130.33 2vvi n PRO 51 Ca 0.11 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.35 2vvi n PRO 51 Cb 0.41 -1.45 -0.10 0.00 -0.04 0.00 0.00 33.50 32.33 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 -2.00 2.12 0.06 0.54 -0.12 -1.26 -4.62 117.98 112.69 2vvi s PHE 52 Ca 0.39 -0.49 -0.30 0.00 -0.05 0.00 0.00 56.93 56.48 2vvi s PHE 52 Cb 0.18 -1.05 -0.09 0.00 -0.63 0.00 0.00 43.02 41.43 2vvi s PHE 52 CO 0.30 0.53 1.91 0.00 -0.05 0.00 0.00 175.22 177.91 2vvi s ALA 53 N -2.73 3.64 0.54 1.99 0.00 0.25 -4.88 121.76 120.57 2vvi s ALA 53 Ca 0.29 1.35 0.21 0.00 0.00 0.00 0.00 51.96 53.81 2vvi s ALA 53 Cb -0.01 -3.81 1.41 0.00 0.00 0.00 0.00 23.12 20.71 2vvi s ALA 53 CO 0.13 -1.45 2.13 0.35 0.00 0.00 0.00 175.76 176.92 2vvi h PHE 54 N 9.87 0.00 -0.52 0.00 3.57 -1.94 -2.76 116.94 125.15 2vvi h PHE 54 Ca -0.48 0.00 0.14 0.00 3.53 0.00 0.00 57.97 61.16 2vvi h PHE 54 Cb 1.23 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.95 2vvi h PHE 54 CO 0.90 0.00 0.37 -0.44 -2.23 0.00 0.00 178.31 176.91 2vvi h ASP 55 N 0.00 0.05 0.32 0.41 3.32 -1.96 -1.79 116.42 116.77 2vvi h ASP 55 Ca 0.06 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 2vvi h ASP 55 Cb 0.24 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 2vvi h ASP 55 CO -0.00 0.03 -0.03 0.16 -1.72 0.00 0.00 179.24 177.68 2vvi h ILE 56 N 0.06 0.18 0.00 0.35 3.07 -1.89 -2.49 117.51 116.79 2vvi h ILE 56 Ca 0.25 -0.24 0.00 0.00 1.55 0.00 0.00 64.86 66.42 2vvi h ILE 56 Cb 0.91 1.20 0.00 0.00 -0.27 0.00 0.00 36.82 38.66 2vvi h ILE 56 CO -0.02 0.03 -1.07 0.18 -1.05 0.00 0.00 178.15 176.22 2vvi n LEU 57 N -3.28 0.65 -0.01 0.16 4.77 -0.67 -4.64 117.00 113.97 2vvi n LEU 57 Ca -0.02 0.16 -0.07 0.00 -0.03 0.00 0.00 56.01 56.05 2vvi n LEU 57 Cb 0.16 -0.08 0.11 0.00 -2.33 0.00 0.00 43.42 41.28 2vvi n LEU 57 CO 0.25 -0.07 0.61 0.71 -1.33 0.00 0.00 177.39 177.55 2vvi h THR 58 N 0.00 1.30 0.00 -5.08 1.35 -1.52 -0.69 112.91 108.26 2vvi h THR 58 Ca 0.00 -1.54 0.00 0.00 -0.55 0.00 0.00 66.41 64.32 2vvi h THR 58 Cb 0.87 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 2vvi h THR 58 CO 0.00 0.49 0.00 0.71 -0.25 0.00 0.00 175.52 176.47 2vvi h THR 59 N 0.47 0.00 0.00 6.82 1.35 -1.82 -2.05 112.91 117.67 2vvi h THR 59 Ca 0.04 -0.32 -0.07 0.00 -0.55 0.00 0.00 66.41 65.52 2vvi h THR 59 Cb 0.88 1.27 -0.01 0.00 -1.73 0.00 0.00 68.15 68.56 2vvi h THR 59 CO 0.08 0.00 -0.36 0.00 -0.25 0.00 0.00 175.52 174.98 2vvi h ALA 60 N 2.02 0.78 0.00 6.62 0.00 -1.43 -3.45 119.26 123.80 2vvi h ALA 60 Ca 0.00 -0.31 -0.65 0.00 0.00 0.00 0.00 54.91 53.95 2vvi h ALA 60 Cb 0.33 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.10 2vvi h ALA 60 CO 0.00 0.41 3.76 1.19 0.00 0.00 0.00 179.25 184.61 2vvi n PHE 61 N -3.17 2.34 0.00 0.00 3.01 -0.78 -5.01 117.46 113.86 2vvi n PHE 61 Ca 0.02 -3.03 0.00 0.00 1.01 0.00 0.00 57.45 55.45 2vvi n PHE 61 Cb 0.67 -2.45 0.00 0.00 -0.01 0.00 0.00 39.48 37.68 2vvi n PHE 61 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 2vvi n ASN 65 N 3.59 0.00 0.00 4.37 2.85 -1.26 -5.13 115.26 119.68 2vvi n ASN 65 Ca 0.77 0.00 0.09 0.00 -0.11 0.00 0.00 54.58 55.33 2vvi n ASN 65 Cb 0.24 0.00 0.55 0.00 1.24 0.00 0.00 39.78 41.80 2vvi n ASN 65 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 2vvi n ARG 66 N 0.00 0.75 0.24 1.20 3.00 -1.26 -1.69 116.66 118.90 2vvi n ARG 66 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.85 57.93 2vvi n ARG 66 Cb 0.00 -1.38 0.59 0.00 0.00 0.00 0.00 32.46 31.67 2vvi n ARG 66 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.63 177.39 2vvi h VAL 67 N 0.00 0.92 -1.76 5.15 3.04 -1.95 -3.24 116.25 118.40 2vvi h VAL 67 Ca 0.00 -0.60 -0.76 0.00 -1.01 0.00 0.00 66.70 64.33 2vvi h VAL 67 Cb 0.00 1.34 -0.17 0.00 -2.01 0.00 0.00 31.29 30.45 2vvi h VAL 67 CO 0.00 0.16 1.72 0.49 -1.01 0.00 0.00 177.57 178.92 2vvi n PHE 68 N -4.05 3.36 -3.79 3.17 3.01 -0.68 -4.71 117.46 113.78 2vvi n PHE 68 Ca -0.02 -2.92 -0.13 0.00 1.01 0.00 0.00 57.45 55.39 2vvi n PHE 68 Cb 0.24 -1.92 -0.12 0.00 -0.01 0.00 0.00 39.48 37.67 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 0.26 -0.53 -0.51 4.37 0.00 -1.21 -4.29 121.76 119.85 2vvi s ALA 69 Ca 0.39 0.67 -0.28 0.00 0.00 0.00 0.00 51.96 52.74 2vvi s ALA 69 Cb 0.06 -0.40 0.02 0.00 0.00 0.00 0.00 23.12 22.80 2vvi s ALA 69 CO 0.01 -0.12 1.28 -2.00 0.00 0.00 0.00 175.76 174.93 2vvi s GLU 70 N 0.33 3.54 -0.23 0.00 2.12 -0.60 -4.37 118.70 119.49 2vvi s GLU 70 Ca -0.02 0.54 -0.11 0.00 0.36 0.00 0.00 54.97 55.74 2vvi s GLU 70 Cb -0.03 -4.01 -0.05 0.00 0.26 0.00 0.00 34.13 30.30 2vvi s GLU 70 CO -0.01 -1.63 0.18 0.71 -0.54 0.00 0.00 175.26 173.96 2vvi s TYR 71 N 5.17 3.33 0.65 5.30 1.51 -1.26 -0.87 117.35 131.18 2vvi s TYR 71 Ca 0.51 0.26 -0.12 0.00 -1.01 0.00 0.00 57.07 56.71 2vvi s TYR 71 Cb -0.09 -2.28 -0.01 0.00 -0.11 0.00 0.00 41.96 39.46 2vvi s TYR 71 CO 0.29 0.07 1.05 -1.25 -1.11 0.00 0.00 175.55 174.60 2vvi s PRO 72 N 1.04 3.14 0.37 -1.71 0.04 -1.26 -4.95 135.00 131.66 2vvi s PRO 72 Ca 0.09 1.00 0.14 0.00 0.04 0.00 0.00 61.00 62.26 2vvi s PRO 72 Cb -0.13 -2.02 0.99 0.00 0.04 0.00 0.00 34.50 33.38 2vvi s PRO 72 CO 0.04 -0.94 1.78 -0.44 0.04 0.00 0.00 177.00 177.49 2vvi h ASP 73 N -0.32 0.55 0.00 6.66 3.32 -1.99 -2.28 116.42 122.35 2vvi h ASP 73 Ca -0.45 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.69 2vvi h ASP 73 Cb 1.21 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.75 2vvi h ASP 73 CO 0.58 0.15 -0.00 0.00 -1.72 0.00 0.00 179.24 178.24 2vvi n HIS 74 N -4.67 0.00 -4.77 4.55 1.44 -1.26 -4.68 115.22 105.84 2vvi n HIS 74 Ca 0.24 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.62 2vvi n HIS 74 Cb 0.76 -0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.71 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 -2.01 2.57 0.19 0.61 1.01 -0.86 -5.07 121.20 117.65 2vvi s ILE 75 Ca 0.44 -0.82 -0.32 0.00 0.00 0.00 0.00 60.65 59.96 2vvi s ILE 75 Cb 0.22 -2.06 -0.12 0.00 0.01 0.00 0.00 42.46 40.51 2vvi s ILE 75 CO 0.36 0.53 1.74 1.67 0.00 0.00 0.00 174.94 179.24 2vvi n GLN 76 N 3.80 2.76 -3.30 2.79 -0.06 -1.26 -4.68 117.38 117.42 2vvi n GLN 76 Ca -0.19 1.00 -0.46 0.00 -2.00 0.00 0.00 57.00 55.34 2vvi n GLN 76 Cb 0.52 -2.85 -0.02 0.00 -4.06 0.00 0.00 30.24 23.84 2vvi n GLN 76 CO 0.00 0.00 0.00 0.34 -0.20 0.00 0.00 177.06 177.20 2vvi s ASP 77 N 1.41 6.90 0.41 1.69 -1.08 -1.26 -4.69 116.67 120.05 2vvi s ASP 77 Ca 0.76 -2.88 0.12 0.00 -0.52 0.00 0.00 52.55 50.04 2vvi s ASP 77 Cb -0.51 -2.22 0.96 0.00 -1.46 0.00 0.00 42.92 39.69 2vvi s ASP 77 CO 0.33 -0.54 1.95 0.22 0.52 0.00 0.00 175.17 177.65 2vvi h TYR 78 N 7.56 0.55 0.01 -5.34 3.20 -1.92 -2.43 116.97 118.60 2vvi h TYR 78 Ca 0.13 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.98 2vvi h TYR 78 Cb 1.00 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.09 2vvi h TYR 78 CO 0.98 0.25 -0.16 0.74 -1.64 0.00 0.00 178.16 178.33 2vvi h PHE 79 N 0.50 0.14 -0.09 -3.82 -1.00 -1.89 -2.78 116.94 108.00 2vvi h PHE 79 Ca 0.33 -0.08 -0.09 0.00 2.81 0.00 0.00 57.97 60.93 2vvi h PHE 79 Cb 0.60 -0.01 -0.01 0.00 3.61 0.00 0.00 35.95 40.14 2vvi h PHE 79 CO -0.00 0.93 -0.35 0.87 -1.61 0.00 0.00 178.31 178.14 2vvi h LYS 80 N -0.68 0.18 0.00 1.51 1.57 -1.87 -2.52 116.57 114.77 2vvi h LYS 80 Ca -0.02 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 2vvi h LYS 80 Cb 0.98 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.28 2vvi h LYS 80 CO 0.03 0.52 0.00 1.04 -0.57 0.00 0.00 179.45 180.47 2vvi n GLN 81 N -4.08 0.02 0.00 3.15 1.13 -0.92 -3.01 117.38 113.66 2vvi n GLN 81 Ca -0.01 0.28 0.13 0.00 -1.94 0.00 0.00 57.00 55.45 2vvi n GLN 81 Cb 0.42 -1.54 0.42 0.00 0.11 0.00 0.00 30.24 29.66 2vvi n GLN 81 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 2vvi n SER 82 N -1.57 0.65 -4.77 1.08 7.64 -0.95 -4.89 113.62 110.81 2vvi n SER 82 Ca 0.03 -0.51 -0.26 0.00 1.01 0.00 0.00 58.87 59.14 2vvi n SER 82 Cb 0.17 0.07 -0.06 0.00 -1.01 0.00 0.00 64.21 63.38 2vvi n SER 82 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2vvi s PHE 83 N -2.68 3.09 -0.43 1.43 0.40 -1.17 0.33 117.98 118.95 2vvi s PHE 83 Ca 0.21 -0.04 0.26 0.00 -0.60 0.00 0.00 56.93 56.76 2vvi s PHE 83 Cb 0.19 -1.49 0.97 0.00 0.51 0.00 0.00 43.02 43.20 2vvi s PHE 83 CO 0.56 0.52 1.77 -1.00 0.70 0.00 0.00 175.22 177.77 2vvi h PRO 84 N 2.47 0.00 -0.10 0.24 0.13 -1.90 -3.45 132.00 129.40 2vvi h PRO 84 Ca -0.47 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.46 2vvi h PRO 84 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2vvi h PRO 84 CO 0.62 0.00 -0.75 0.87 -0.23 0.00 0.00 178.00 178.51 2vvi h LYS 85 N 0.00 0.52 0.00 0.86 1.57 -1.92 -3.36 116.57 114.24 2vvi h LYS 85 Ca 0.00 -0.43 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 2vvi h LYS 85 Cb 0.51 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.91 2vvi h LYS 85 CO 0.00 1.06 0.00 0.41 -0.57 0.00 0.00 179.45 180.35 2vvi n GLY 86 N 0.61 -0.62 3.59 3.86 0.00 0.15 -4.69 105.19 108.09 2vvi n GLY 86 Ca -0.05 -2.24 -0.11 0.00 0.00 0.00 0.00 46.02 43.61 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 -0.46 0.57 0.05 1.61 1.13 -1.02 -1.39 117.35 117.85 2vvi s TYR 87 Ca 0.00 -0.93 0.02 0.00 -1.41 0.00 0.00 57.07 54.74 2vvi s TYR 87 Cb 0.00 0.20 -0.03 0.00 -1.10 0.00 0.00 41.96 41.03 2vvi s TYR 87 CO 0.00 -1.14 -0.07 -1.54 -2.51 0.00 0.00 175.55 170.30 2vvi s SER 88 N -3.10 0.83 0.21 -0.18 1.04 -0.19 -0.88 113.70 111.42 2vvi s SER 88 Ca 0.24 -0.69 0.08 0.00 0.48 0.00 0.00 55.95 56.05 2vvi s SER 88 Cb -0.01 0.07 -0.05 0.00 0.10 0.00 0.00 66.02 66.13 2vvi s SER 88 CO 0.13 -0.31 -0.13 -1.66 0.98 0.00 0.00 173.24 172.25 2vvi s TRP 89 N -2.15 1.72 0.02 5.02 1.48 -0.39 -0.40 118.94 124.24 2vvi s TRP 89 Ca -0.04 -0.59 0.03 0.00 -1.06 0.00 0.00 56.10 54.44 2vvi s TRP 89 Cb -0.05 -0.82 -0.02 0.00 -1.16 0.00 0.00 33.47 31.42 2vvi s TRP 89 CO -0.02 0.34 -0.11 -1.21 -4.06 0.00 0.00 176.95 171.90 2vvi s GLU 90 N -3.66 0.75 -0.10 3.25 2.02 -0.72 -1.63 118.70 118.62 2vvi s GLU 90 Ca 0.23 -0.57 -0.08 0.00 0.02 0.00 0.00 54.97 54.56 2vvi s GLU 90 Cb -0.00 -0.70 0.03 0.00 0.10 0.00 0.00 34.13 33.56 2vvi s GLU 90 CO 0.07 0.18 0.26 0.50 0.02 0.00 0.00 175.26 176.29 2vvi s ARG 91 N -0.85 0.28 0.05 1.61 3.52 -0.09 -0.86 118.95 122.60 2vvi s ARG 91 Ca 0.00 0.41 0.06 0.00 -0.13 0.00 0.00 55.73 56.06 2vvi s ARG 91 Cb -0.06 0.09 -0.04 0.00 -1.56 0.00 0.00 34.95 33.38 2vvi s ARG 91 CO 0.00 -0.07 -0.11 -1.54 -0.81 0.00 0.00 175.30 172.77 2vvi s SER 92 N 0.41 4.28 -0.21 -2.12 1.04 -0.60 -0.12 113.70 116.37 2vvi s SER 92 Ca -0.02 -0.31 -0.02 0.00 0.48 0.00 0.00 55.95 56.08 2vvi s SER 92 Cb -0.04 -0.85 0.06 0.00 0.10 0.00 0.00 66.02 65.30 2vvi s SER 92 CO -0.02 0.24 0.02 -0.76 0.98 0.00 0.00 173.24 173.70 2vvi s LEU 93 N -1.68 1.61 -0.44 2.42 1.02 0.20 -2.13 118.68 119.68 2vvi s LEU 93 Ca 0.18 -0.97 -0.11 0.00 0.02 0.00 0.00 54.13 53.24 2vvi s LEU 93 Cb -0.11 -0.76 0.08 0.00 0.02 0.00 0.00 46.19 45.42 2vvi s LEU 93 CO 0.09 -0.30 0.31 -0.89 0.02 0.00 0.00 176.35 175.58 2vvi s THR 94 N 1.72 4.53 0.35 5.49 2.01 0.11 -1.03 115.64 128.83 2vvi s THR 94 Ca -0.02 -1.34 -0.22 0.00 0.31 0.00 0.00 61.69 60.42 2vvi s THR 94 Cb -0.18 -3.77 -0.10 0.00 0.01 0.00 0.00 72.50 68.46 2vvi s THR 94 CO -0.09 -0.56 0.90 -0.36 -0.69 0.00 0.00 174.62 173.83 2vvi s PHE 95 N 1.49 3.51 0.52 4.92 0.40 -0.28 -0.98 117.98 127.55 2vvi s PHE 95 Ca 0.03 1.61 0.40 0.00 -0.60 0.00 0.00 56.93 58.38 2vvi s PHE 95 Cb -0.24 -2.82 2.10 0.00 0.51 0.00 0.00 43.02 42.57 2vvi s PHE 95 CO 0.03 0.09 2.26 1.05 0.70 0.00 0.00 175.22 179.35 2vvi h GLU 96 N 2.62 0.00 -0.64 0.44 4.11 -1.47 -1.80 114.58 117.83 2vvi h GLU 96 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 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 0.01 0.00 -0.40 0.07 0.00 0.00 179.01 179.32 2vvi n ASP 97 N -3.17 4.30 0.00 3.06 5.75 -1.26 -4.94 116.55 120.29 2vvi n ASP 97 Ca -0.02 -2.46 0.00 0.00 -0.01 0.00 0.00 54.79 52.30 2vvi n ASP 97 Cb 0.13 -0.56 0.00 0.00 -1.03 0.00 0.00 41.12 39.67 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 0.92 1.26 3.69 6.12 0.00 -0.68 -4.72 105.19 111.78 2vvi n GLY 98 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.24 1.41 -0.07 -0.02 0.00 -1.21 -4.70 107.32 100.49 2vvi s GLY 99 Ca 0.00 1.37 0.03 0.00 0.00 0.00 0.00 44.72 46.11 2vvi s GLY 99 CO 0.00 3.11 -0.14 -0.42 0.00 0.00 0.00 173.10 175.65 2vvi s ILE 100 N 2.91 1.29 0.06 0.90 1.01 -0.60 -1.13 121.20 125.64 2vvi s ILE 100 Ca 0.80 -0.57 0.09 0.00 0.00 0.00 0.00 60.65 60.97 2vvi s ILE 100 Cb -0.44 -1.16 -0.03 0.00 0.01 0.00 0.00 42.46 40.84 2vvi s ILE 100 CO 0.36 0.39 -0.24 0.00 0.00 0.00 0.00 174.94 175.44 2vvi s ILE 102 N -0.87 1.63 0.06 0.00 -5.25 0.55 0.61 121.20 117.93 2vvi s ILE 102 Ca 0.10 -1.46 -0.08 0.00 -0.99 0.00 0.00 60.65 58.23 2vvi s ILE 102 Cb -0.10 -1.48 -0.00 0.00 2.95 0.00 0.00 42.46 43.83 2vvi s ILE 102 CO 0.03 -0.04 0.16 0.00 -1.79 0.00 0.00 174.94 173.29 2vvi s ALA 103 N -1.12 -0.19 -0.01 2.27 0.00 0.82 -0.85 121.76 122.68 2vvi s ALA 103 Ca 0.06 -0.52 -0.07 0.00 0.00 0.00 0.00 51.96 51.42 2vvi s ALA 103 Cb -0.10 0.35 0.01 0.00 0.00 0.00 0.00 23.12 23.37 2vvi s ALA 103 CO 0.04 -0.41 0.15 1.03 0.00 0.00 0.00 175.76 176.57 2vvi s ARG 104 N -3.13 0.41 -0.02 0.00 0.52 -0.06 -0.92 118.95 115.75 2vvi s ARG 104 Ca -0.01 -0.24 0.00 0.00 -0.52 0.00 0.00 55.73 54.97 2vvi s ARG 104 Cb 0.02 0.17 0.02 0.00 0.52 0.00 0.00 34.95 35.68 2vvi s ARG 104 CO -0.07 -0.09 -0.00 1.21 0.02 0.00 0.00 175.30 176.37 2vvi s ASN 105 N -1.00 0.33 -0.32 0.23 2.47 -0.64 -1.01 114.94 115.00 2vvi s ASN 105 Ca -0.11 -0.02 -0.07 0.00 0.42 0.00 0.00 52.86 53.08 2vvi s ASN 105 Cb -0.06 -0.16 0.02 0.00 -1.45 0.00 0.00 41.25 39.61 2vvi s ASN 105 CO 0.01 -0.07 0.10 -1.81 -3.72 0.00 0.00 177.10 171.60 2vvi s ASP 106 N 0.78 5.23 -0.19 -4.21 1.01 -0.78 -1.26 116.67 117.24 2vvi s ASP 106 Ca -0.08 -0.90 -0.05 0.00 0.71 0.00 0.00 52.55 52.23 2vvi s ASP 106 Cb -0.11 -1.88 -0.02 0.00 1.01 0.00 0.00 42.92 41.92 2vvi s ASP 106 CO -0.02 -0.26 -0.01 -0.63 0.21 0.00 0.00 175.17 174.47 2vvi s ILE 107 N 1.46 3.94 0.44 0.77 1.01 -0.06 -2.20 121.20 126.56 2vvi s ILE 107 Ca 0.01 -0.32 0.03 0.00 0.00 0.00 0.00 60.65 60.36 2vvi s ILE 107 Cb -0.18 -2.77 -0.02 0.00 0.01 0.00 0.00 42.46 39.50 2vvi s ILE 107 CO 0.03 0.45 0.09 0.42 0.00 0.00 0.00 174.94 175.92 2vvi s THR 108 N 0.83 0.81 -0.09 2.92 -4.23 -0.53 -2.42 115.64 112.93 2vvi s THR 108 Ca 0.00 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.39 2vvi s THR 108 Cb -0.14 -2.30 0.03 0.00 1.34 0.00 0.00 72.50 71.43 2vvi s THR 108 CO 0.02 0.00 0.32 -0.32 -0.54 0.00 0.00 174.62 174.10 2vvi s MET 109 N -3.76 0.47 -0.16 3.99 1.75 -1.26 -0.59 119.30 119.74 2vvi s MET 109 Ca 0.18 0.27 -0.04 0.00 -1.25 0.00 0.00 55.69 54.85 2vvi s MET 109 Cb 0.02 0.22 0.08 0.00 2.84 0.00 0.00 34.83 37.99 2vvi s MET 109 CO 0.11 -0.09 0.25 -1.21 -0.65 0.00 0.00 175.02 173.43 2vvi s GLU 110 N -0.27 0.16 7.86 4.11 2.02 -0.68 -4.96 118.70 126.95 2vvi s GLU 110 Ca -0.04 0.54 0.00 0.00 0.02 0.00 0.00 54.97 55.49 2vvi s GLU 110 Cb -0.03 -0.48 0.00 0.00 0.10 0.00 0.00 34.13 33.72 2vvi s GLU 110 CO 0.02 -0.43 0.00 0.41 0.02 0.00 0.00 175.26 175.27 2vvi n GLY 111 N 5.34 3.57 1.54 -1.39 0.00 -1.26 -2.40 105.19 110.59 2vvi n GLY 111 Ca -0.06 -0.07 0.09 0.00 0.00 0.00 0.00 46.02 45.98 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 8.04 4.57 -4.15 1.61 5.75 -1.26 -4.94 116.55 126.17 2vvi n ASP 112 Ca 0.00 -2.45 -0.29 0.00 -0.01 0.00 0.00 54.79 52.04 2vvi n ASP 112 Cb 0.00 -0.57 -0.17 0.00 -1.03 0.00 0.00 41.12 39.35 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 -1.89 1.72 -0.07 2.12 2.01 -1.01 0.81 115.64 119.34 2vvi s THR 113 Ca 0.48 -0.82 -0.19 0.00 0.31 0.00 0.00 61.69 61.47 2vvi s THR 113 Cb 0.32 -1.51 -0.05 0.00 0.01 0.00 0.00 72.50 71.27 2vvi s THR 113 CO 0.23 0.49 0.51 -0.36 -0.69 0.00 0.00 174.62 174.80 2vvi s PHE 114 N 0.47 3.59 -0.13 4.92 0.08 -0.11 -1.68 117.98 125.12 2vvi s PHE 114 Ca -0.17 1.01 -0.03 0.00 0.12 0.00 0.00 56.93 57.86 2vvi s PHE 114 Cb -0.17 -2.55 -0.03 0.00 -0.57 0.00 0.00 43.02 39.70 2vvi s PHE 114 CO 0.07 0.28 -0.01 0.71 -0.10 0.00 0.00 175.22 176.17 2vvi s TYR 115 N 0.17 3.09 -0.12 0.36 1.51 0.24 0.21 117.35 122.81 2vvi s TYR 115 Ca 0.28 -0.07 0.00 0.00 -1.01 0.00 0.00 57.07 56.27 2vvi s TYR 115 Cb -0.16 -1.91 0.02 0.00 -0.11 0.00 0.00 41.96 39.80 2vvi s TYR 115 CO 0.13 0.17 -0.11 -0.80 -1.11 0.00 0.00 175.55 173.83 2vvi s ASN 116 N -0.10 2.38 -0.41 2.29 0.01 0.05 -1.45 114.94 117.72 2vvi s ASN 116 Ca 0.03 -0.39 -0.06 0.00 -0.71 0.00 0.00 52.86 51.73 2vvi s ASN 116 Cb -0.13 -1.00 0.09 0.00 0.41 0.00 0.00 41.25 40.62 2vvi s ASN 116 CO 0.02 -0.07 0.22 -0.75 -1.51 0.00 0.00 177.10 175.02 2vvi s LYS 117 N 1.46 2.35 -0.04 -0.60 2.20 -0.93 -1.71 119.74 122.46 2vvi s LYS 117 Ca 0.02 -1.61 0.02 0.00 -0.36 0.00 0.00 55.97 54.04 2vvi s LYS 117 Cb -0.13 -3.66 -0.03 0.00 -1.51 0.00 0.00 37.83 32.50 2vvi s LYS 117 CO -0.07 -0.99 -0.08 0.08 -0.36 0.00 0.00 175.35 173.93 2vvi s VAL 118 N 1.29 3.61 -0.03 4.02 1.01 -0.28 -1.87 120.40 128.15 2vvi s VAL 118 Ca 0.04 -0.61 0.05 0.00 0.00 0.00 0.00 61.98 61.46 2vvi s VAL 118 Cb -0.23 -2.50 -0.01 0.00 0.00 0.00 0.00 36.38 33.64 2vvi s VAL 118 CO -0.01 0.53 -0.17 -0.13 0.00 0.00 0.00 175.10 175.32 2vvi s ARG 119 N -1.01 1.57 -0.05 2.72 1.81 -0.18 -1.89 118.95 121.93 2vvi s ARG 119 Ca 0.14 -0.60 -0.02 0.00 -1.72 0.00 0.00 55.73 53.53 2vvi s ARG 119 Cb -0.11 -1.44 0.03 0.00 -0.45 0.00 0.00 34.95 32.98 2vvi s ARG 119 CO 0.03 0.30 0.05 0.12 -0.68 0.00 0.00 175.30 175.13 2vvi s PHE 120 N -0.17 0.14 -0.07 -0.53 2.19 -0.65 -0.88 117.98 118.01 2vvi s PHE 120 Ca 0.01 0.19 0.02 0.00 0.33 0.00 0.00 56.93 57.48 2vvi s PHE 120 Cb -0.09 -0.53 0.02 0.00 -1.31 0.00 0.00 43.02 41.11 2vvi s PHE 120 CO 0.01 -0.21 -0.10 -1.01 1.83 0.00 0.00 175.22 175.73 2vvi s HIS 121 N 2.14 1.35 0.01 10.12 3.76 -0.03 -1.33 115.29 131.31 2vvi s HIS 121 Ca 0.05 -0.52 0.02 0.00 -0.15 0.00 0.00 55.06 54.45 2vvi s HIS 121 Cb -0.12 -1.04 -0.01 0.00 1.11 0.00 0.00 32.58 32.52 2vvi s HIS 121 CO -0.03 -0.31 -0.06 0.20 -0.85 0.00 0.00 174.74 173.68 2vvi s GLY 122 N 0.91 0.36 0.16 -2.22 0.00 -0.27 -0.33 107.32 105.93 2vvi s GLY 122 Ca -0.10 -0.44 0.01 0.00 0.00 0.00 0.00 44.72 44.19 2vvi s GLY 122 CO 0.01 -0.43 0.02 -1.34 0.00 0.00 0.00 173.10 171.36 2vvi s VAL 123 N -0.59 0.48 -1.34 1.40 -7.23 -0.15 -0.89 120.40 112.08 2vvi s VAL 123 Ca -0.02 -1.95 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 2vvi s VAL 123 Cb -0.05 -2.09 0.00 0.00 0.56 0.00 0.00 36.38 34.80 2vvi s VAL 123 CO 0.00 -0.48 0.00 0.59 -0.31 0.00 0.00 175.10 174.90 2vvi n ASN 124 N -0.19 -4.52 -4.66 4.85 3.02 -1.26 -1.56 115.26 110.94 2vvi n ASN 124 Ca -0.06 0.31 -0.42 0.00 -0.03 0.00 0.00 54.58 54.37 2vvi n ASN 124 Cb 0.63 -3.15 -0.03 0.00 -0.61 0.00 0.00 39.78 36.63 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 -2.48 2.38 0.33 3.10 0.08 -1.26 -3.33 117.98 116.80 2vvi s PHE 125 Ca 0.00 0.54 -0.29 0.00 0.12 0.00 0.00 56.93 57.30 2vvi s PHE 125 Cb 0.00 -3.75 -0.10 0.00 -0.57 0.00 0.00 43.02 38.60 2vvi s PHE 125 CO 0.00 -2.97 1.24 -1.25 -0.10 0.00 0.00 175.22 172.14 2vvi s PRO 126 N 3.64 4.40 0.43 0.24 0.04 -1.26 -4.93 135.00 137.55 2vvi s PRO 126 Ca 0.66 2.08 0.18 0.00 0.04 0.00 0.00 61.00 63.96 2vvi s PRO 126 Cb -0.29 -3.06 1.09 0.00 0.04 0.00 0.00 34.50 32.28 2vvi s PRO 126 CO 0.24 -0.10 1.89 0.00 0.04 0.00 0.00 177.00 179.07 2vvi h ALA 127 N 3.42 2.20 -0.03 8.56 0.00 -1.98 0.39 119.26 131.82 2vvi h ALA 127 Ca -0.48 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2vvi h ALA 127 Cb 1.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2vvi h ALA 127 CO 0.65 -0.45 0.00 0.27 0.00 0.00 0.00 179.25 179.72 2vvi n ASN 128 N -4.48 1.22 -4.91 0.00 6.94 -1.26 -4.24 115.26 108.52 2vvi n ASN 128 Ca 0.17 -1.44 -0.27 0.00 -0.02 0.00 0.00 54.58 53.02 2vvi n ASN 128 Cb 0.64 -0.01 0.04 0.00 -2.36 0.00 0.00 39.78 38.08 2vvi n ASN 128 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 2vvi s GLY 129 N -1.93 1.62 0.57 4.83 0.00 0.13 -4.88 107.32 107.65 2vvi s GLY 129 Ca 0.39 -0.63 0.26 0.00 0.00 0.00 0.00 44.72 44.74 2vvi s GLY 129 CO 0.33 -0.31 2.10 -0.56 0.00 0.00 0.00 173.10 174.66 2vvi h PRO 130 N -0.34 0.00 0.05 2.90 0.13 -1.92 -0.70 132.00 132.11 2vvi h PRO 130 Ca -0.45 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2vvi h PRO 130 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2vvi h PRO 130 CO 0.61 0.00 -0.02 0.28 -0.23 0.00 0.00 178.00 178.64 2vvi h VAL 131 N 0.00 1.23 0.00 1.56 2.07 -1.94 0.15 116.25 119.32 2vvi h VAL 131 Ca 0.09 -1.65 -0.09 0.00 0.82 0.00 0.00 66.70 65.87 2vvi h VAL 131 Cb 0.46 2.21 -0.01 0.00 -1.52 0.00 0.00 31.29 32.42 2vvi h VAL 131 CO -0.00 0.37 -0.44 0.24 0.02 0.00 0.00 177.57 177.76 2vvi h MET 132 N -0.89 0.00 0.00 1.57 2.86 -1.77 0.83 114.93 117.54 2vvi h MET 132 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2vvi h MET 132 Cb 0.66 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.32 2vvi h MET 132 CO 0.01 0.44 0.00 1.04 1.06 0.00 0.00 176.91 179.46 2vvi n GLN 133 N -3.65 0.25 -3.54 1.72 1.13 -0.28 -4.79 117.38 108.23 2vvi n GLN 133 Ca -0.01 0.21 -0.21 0.00 -1.94 0.00 0.00 57.00 55.05 2vvi n GLN 133 Cb 0.53 -1.80 0.05 0.00 0.11 0.00 0.00 30.24 29.13 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 -2.24 -3.63 -0.27 -1.09 5.02 -0.26 -4.93 118.16 110.75 2vvi n LYS 134 Ca 0.06 0.68 0.09 0.00 -2.02 0.00 0.00 58.31 57.11 2vvi n LYS 134 Cb 0.43 -5.21 0.24 0.00 -0.02 0.00 0.00 35.03 30.46 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 -3.96 2.82 -2.80 1.97 5.02 0.37 -4.99 118.16 116.58 2vvi n LYS 135 Ca -0.19 -2.35 -0.36 0.00 -2.02 0.00 0.00 58.31 53.39 2vvi n LYS 135 Cb 0.64 -1.42 -0.07 0.00 -0.02 0.00 0.00 35.03 34.17 2vvi n LYS 135 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2vvi s THR 136 N -1.02 4.27 -0.15 -0.18 -4.23 -1.26 -0.44 115.64 112.64 2vvi s THR 136 Ca 0.36 1.72 -0.00 0.00 -1.18 0.00 0.00 61.69 62.58 2vvi s THR 136 Cb 0.19 -3.89 -0.09 0.00 1.34 0.00 0.00 72.50 70.04 2vvi s THR 136 CO 0.24 0.02 -0.14 0.18 -0.54 0.00 0.00 174.62 174.38 2vvi n LEU 137 N 0.24 2.74 -3.62 4.79 4.77 0.13 -4.80 117.00 121.25 2vvi n LEU 137 Ca 0.03 -0.04 -0.04 0.00 -0.03 0.00 0.00 56.01 55.93 2vvi n LEU 137 Cb 0.51 -0.51 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 2vvi n LEU 137 CO 0.42 0.69 1.06 -1.59 -1.33 0.00 0.00 177.39 176.64 2vvi s LYS 138 N -2.29 0.22 0.04 3.23 -2.85 -1.21 -4.98 119.74 111.90 2vvi s LYS 138 Ca -0.20 -0.03 -0.30 0.00 -1.00 0.00 0.00 55.97 54.43 2vvi s LYS 138 Cb 0.06 0.10 -0.05 0.00 -2.06 0.00 0.00 37.83 35.88 2vvi s LYS 138 CO 0.33 -0.09 1.15 -1.58 0.10 0.00 0.00 175.35 175.26 2vvi s TRP 139 N -1.81 3.47 0.59 1.78 0.52 -1.26 -0.10 118.94 122.12 2vvi s TRP 139 Ca 0.08 1.38 -0.18 0.00 0.02 0.00 0.00 56.10 57.41 2vvi s TRP 139 Cb -0.01 -3.35 -0.04 0.00 -1.15 0.00 0.00 33.47 28.92 2vvi s TRP 139 CO -0.05 -1.00 1.11 -1.21 0.02 0.00 0.00 176.95 175.83 2vvi s GLU 140 N 1.15 3.17 0.42 4.98 0.41 -0.09 -4.67 118.70 124.07 2vvi s GLU 140 Ca 0.57 1.49 -0.26 0.00 -0.41 0.00 0.00 54.97 56.36 2vvi s GLU 140 Cb -0.27 -1.99 -0.09 0.00 -1.78 0.00 0.00 34.13 30.00 2vvi s GLU 140 CO 0.28 -0.97 1.43 -1.25 -0.49 0.00 0.00 175.26 174.26 2vvi s PRO 141 N -3.63 3.84 0.31 0.39 0.04 -1.26 -4.72 135.00 129.97 2vvi s PRO 141 Ca 0.70 2.44 0.01 0.00 0.04 0.00 0.00 61.00 64.19 2vvi s PRO 141 Cb -0.22 -2.76 -0.02 0.00 0.04 0.00 0.00 34.50 31.54 2vvi s PRO 141 CO 0.33 -0.70 0.34 0.45 0.04 0.00 0.00 177.00 177.45 2vvi s SER 142 N -0.41 1.04 -0.12 6.66 0.15 -0.48 -4.99 113.70 115.56 2vvi s SER 142 Ca 0.58 -1.55 0.00 0.00 0.70 0.00 0.00 55.95 55.69 2vvi s SER 142 Cb -0.44 0.57 0.02 0.00 -1.71 0.00 0.00 66.02 64.46 2vvi s SER 142 CO 0.58 -1.12 -0.11 -0.89 1.20 0.00 0.00 173.24 172.90 2vvi s THR 143 N -3.45 1.24 0.01 6.45 2.01 -1.26 -0.89 115.64 119.75 2vvi s THR 143 Ca 0.36 -0.45 -0.16 0.00 0.31 0.00 0.00 61.69 61.75 2vvi s THR 143 Cb 0.02 -1.19 -0.06 0.00 0.01 0.00 0.00 72.50 71.28 2vvi s THR 143 CO 0.21 0.40 0.44 -0.70 -0.69 0.00 0.00 174.62 174.28 2vvi s GLU 144 N 1.42 3.98 -0.24 4.92 2.12 0.07 -4.66 118.70 126.32 2vvi s GLU 144 Ca 0.01 0.47 -0.08 0.00 0.36 0.00 0.00 54.97 55.73 2vvi s GLU 144 Cb -0.13 -3.23 -0.03 0.00 0.26 0.00 0.00 34.13 30.99 2vvi s GLU 144 CO -0.06 0.67 0.09 -1.59 -0.54 0.00 0.00 175.26 173.82 2vvi s LYS 145 N -1.05 3.77 -0.24 4.30 -2.85 0.18 -1.06 119.74 122.79 2vvi s LYS 145 Ca 0.25 -0.42 -0.07 0.00 -1.00 0.00 0.00 55.97 54.73 2vvi s LYS 145 Cb -0.17 -3.35 -0.03 0.00 -2.06 0.00 0.00 37.83 32.22 2vvi s LYS 145 CO 0.14 -0.09 0.05 -1.64 0.10 0.00 0.00 175.35 173.92 2vvi s MET 146 N 1.36 3.62 0.15 1.78 -1.94 0.14 -1.35 119.30 123.06 2vvi s MET 146 Ca 0.05 -0.50 -0.14 0.00 -1.71 0.00 0.00 55.69 53.40 2vvi s MET 146 Cb -0.15 -3.27 0.02 0.00 2.01 0.00 0.00 34.83 33.45 2vvi s MET 146 CO 0.04 -0.17 0.39 1.52 -0.01 0.00 0.00 175.02 176.79 2vvi s TYR 147 N 1.54 -0.02 -0.02 -0.03 -0.85 -0.55 -1.82 117.35 115.60 2vvi s TYR 147 Ca 0.06 -0.33 -0.26 0.00 -0.52 0.00 0.00 57.07 56.02 2vvi s TYR 147 Cb -0.15 0.20 -0.04 0.00 0.38 0.00 0.00 41.96 42.35 2vvi s TYR 147 CO 0.03 -0.75 0.82 0.08 -1.52 0.00 0.00 175.55 174.21 2vvi s VAL 148 N -3.86 4.93 -0.03 -3.49 1.01 -1.26 -0.67 120.40 117.02 2vvi s VAL 148 Ca 0.08 1.72 -0.01 0.00 0.00 0.00 0.00 61.98 63.76 2vvi s VAL 148 Cb 0.02 -4.16 0.03 0.00 0.00 0.00 0.00 36.38 32.26 2vvi s VAL 148 CO -0.07 0.23 0.05 -0.60 0.00 0.00 0.00 175.10 174.72 2vvi s ARG 149 N 0.76 -0.05 -1.55 2.72 3.52 -0.56 -4.85 118.95 118.94 2vvi s ARG 149 Ca 0.43 0.30 -0.07 0.00 -0.13 0.00 0.00 55.73 56.27 2vvi s ARG 149 Cb -0.19 -0.37 0.06 0.00 -1.56 0.00 0.00 34.95 32.88 2vvi s ARG 149 CO 0.23 -0.25 0.47 -3.47 -0.81 0.00 0.00 175.30 171.46 2vvi n ASP 150 N 4.77 -1.08 0.00 -2.12 2.03 -1.26 -2.09 116.55 116.80 2vvi n ASP 150 Ca -0.15 -1.07 0.00 0.00 0.52 0.00 0.00 54.79 54.09 2vvi n ASP 150 Cb 0.50 -2.63 0.00 0.00 -0.72 0.00 0.00 41.12 38.27 2vvi n ASP 150 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2vvi n GLY 151 N -1.87 0.67 3.22 0.27 0.00 -1.26 -5.01 105.19 101.20 2vvi n GLY 151 Ca -0.17 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.83 1.74 0.16 1.61 1.01 -0.89 -5.10 120.40 116.10 2vvi s VAL 152 Ca 0.00 -0.91 -0.31 0.00 0.00 0.00 0.00 61.98 60.75 2vvi s VAL 152 Cb 0.00 -1.47 -0.11 0.00 0.00 0.00 0.00 36.38 34.80 2vvi s VAL 152 CO 0.00 0.49 1.80 -0.22 0.00 0.00 0.00 175.10 177.17 2vvi s LEU 153 N -0.25 4.39 -0.02 3.92 2.96 -1.25 -1.50 118.68 126.93 2vvi s LEU 153 Ca 0.01 2.81 0.03 0.00 -0.22 0.00 0.00 54.13 56.76 2vvi s LEU 153 Cb -0.11 -3.58 -0.00 0.00 0.50 0.00 0.00 46.19 43.00 2vvi s LEU 153 CO 0.01 -1.00 -0.11 -0.89 -1.32 0.00 0.00 176.35 173.04 2vvi s THR 154 N 2.18 0.93 -0.17 3.68 2.01 0.16 -0.51 115.64 123.92 2vvi s THR 154 Ca 0.79 -0.47 0.00 0.00 0.31 0.00 0.00 61.69 62.32 2vvi s THR 154 Cb -0.48 -0.80 0.01 0.00 0.01 0.00 0.00 72.50 71.25 2vvi s THR 154 CO 0.35 0.27 -0.17 -0.83 -0.69 0.00 0.00 174.62 173.55 2vvi s GLY 155 N -0.07 1.43 -0.12 4.40 0.00 0.28 -1.49 107.32 111.76 2vvi s GLY 155 Ca 0.01 -1.16 -0.01 0.00 0.00 0.00 0.00 44.72 43.55 2vvi s GLY 155 CO 0.00 0.21 -0.08 0.99 0.00 0.00 0.00 173.10 174.22 2vvi s ASP 156 N 1.16 4.50 -0.10 1.64 1.01 -0.46 -0.69 116.67 123.74 2vvi s ASP 156 Ca 0.01 -0.15 -0.08 0.00 0.71 0.00 0.00 52.55 53.04 2vvi s ASP 156 Cb -0.14 -1.50 0.03 0.00 1.01 0.00 0.00 42.92 42.33 2vvi s ASP 156 CO -0.08 0.24 0.26 -0.51 0.21 0.00 0.00 175.17 175.29 2vvi s ILE 157 N -0.06 -0.01 -0.37 0.77 2.07 -0.72 -0.64 121.20 122.24 2vvi s ILE 157 Ca -0.00 0.04 -0.17 0.00 -1.41 0.00 0.00 60.65 59.11 2vvi s ILE 157 Cb -0.13 -0.38 0.00 0.00 0.13 0.00 0.00 42.46 42.08 2vvi s ILE 157 CO 0.03 0.02 0.46 -0.89 -1.91 0.00 0.00 174.94 172.65 2vvi s THR 158 N 0.47 5.06 0.28 4.00 2.01 -1.26 -1.46 115.64 124.75 2vvi s THR 158 Ca -0.03 0.07 0.08 0.00 0.31 0.00 0.00 61.69 62.12 2vvi s THR 158 Cb -0.04 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.47 2vvi s THR 158 CO -0.02 -0.27 0.18 -0.04 -0.69 0.00 0.00 174.62 173.78 2vvi s MET 159 N 2.26 2.72 -0.07 4.92 1.00 0.80 -4.80 119.30 126.12 2vvi s MET 159 Ca 0.15 -1.22 -0.03 0.00 0.00 0.00 0.00 55.69 54.59 2vvi s MET 159 Cb -0.16 -2.44 0.04 0.00 0.00 0.00 0.00 34.83 32.27 2vvi s MET 159 CO 0.13 0.29 0.17 0.00 0.00 0.00 0.00 175.02 175.61 2vvi s ALA 160 N -2.24 -0.32 -0.12 3.03 0.00 -1.26 -0.81 121.76 120.03 2vvi s ALA 160 Ca 0.35 0.75 -0.22 0.00 0.00 0.00 0.00 51.96 52.83 2vvi s ALA 160 Cb -0.07 -0.51 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 2vvi s ALA 160 CO 0.24 -0.18 0.67 -0.51 0.00 0.00 0.00 175.76 175.99 2vvi s LEU 161 N 1.23 4.24 0.11 0.00 1.43 0.04 -0.91 118.68 124.81 2vvi s LEU 161 Ca -0.09 1.04 -0.31 0.00 -1.03 0.00 0.00 54.13 53.75 2vvi s LEU 161 Cb -0.11 -3.01 -0.08 0.00 0.03 0.00 0.00 46.19 43.02 2vvi s LEU 161 CO -0.07 -0.19 1.52 -0.22 0.23 0.00 0.00 176.35 177.63 2vvi s LEU 162 N 1.28 4.36 0.22 1.79 2.96 0.86 -1.06 118.68 129.09 2vvi s LEU 162 Ca 0.34 2.44 0.05 0.00 -0.22 0.00 0.00 54.13 56.74 2vvi s LEU 162 Cb -0.17 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 42.91 2vvi s LEU 162 CO 0.14 -0.78 0.31 -0.76 -1.32 0.00 0.00 176.35 173.94 2vvi s LEU 163 N 1.65 4.23 0.25 -0.68 1.43 0.11 0.20 118.68 125.86 2vvi s LEU 163 Ca 0.69 0.04 -0.30 0.00 -1.03 0.00 0.00 54.13 53.52 2vvi s LEU 163 Cb -0.39 -2.78 -0.14 0.00 0.03 0.00 0.00 46.19 42.91 2vvi s LEU 163 CO 0.31 -0.03 1.23 -0.62 0.23 0.00 0.00 176.35 177.46 2vvi n GLU 164 N -1.11 1.65 -0.82 1.70 1.02 0.42 -1.32 120.64 122.18 2vvi n GLU 164 Ca -0.08 0.58 0.00 0.00 -0.02 0.00 0.00 57.16 57.64 2vvi n GLU 164 Cb 0.56 -2.11 0.00 0.00 -0.02 0.00 0.00 31.44 29.87 2vvi n GLU 164 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2vvi n GLY 165 N 1.68 0.72 2.38 0.62 0.00 -1.26 -4.26 105.19 105.07 2vvi n GLY 165 Ca 0.11 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 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 -5.18 -4.87 1.61 4.13 -0.43 -5.03 115.26 105.48 2vvi n ASN 166 Ca 0.00 0.08 -0.31 0.00 1.68 0.00 0.00 54.58 56.04 2vvi n ASN 166 Cb 0.00 -4.26 -0.00 0.00 -1.54 0.00 0.00 39.78 33.98 2vvi n ASN 166 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2vvi s ALA 167 N -2.84 3.13 0.25 5.41 0.00 -1.24 -4.85 121.76 121.62 2vvi s ALA 167 Ca 0.00 -0.09 0.09 0.00 0.00 0.00 0.00 51.96 51.96 2vvi s ALA 167 Cb 0.00 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 2vvi s ALA 167 CO 0.00 -0.55 0.02 -1.01 0.00 0.00 0.00 175.76 174.22 2vvi s HIS 168 N -3.01 2.76 -0.15 0.00 3.76 -1.26 0.07 115.29 117.46 2vvi s HIS 168 Ca 0.55 -0.20 -0.04 0.00 -0.15 0.00 0.00 55.06 55.22 2vvi s HIS 168 Cb -0.11 -1.24 0.05 0.00 1.11 0.00 0.00 32.58 32.39 2vvi s HIS 168 CO 0.48 0.59 0.07 -0.47 -0.85 0.00 0.00 174.74 174.57 2vvi s TYR 169 N -2.22 0.37 0.17 1.40 5.04 -0.22 -4.91 117.35 116.98 2vvi s TYR 169 Ca 0.31 -0.33 -0.10 0.00 -2.44 0.00 0.00 57.07 54.51 2vvi s TYR 169 Cb -0.07 -0.74 -0.07 0.00 0.35 0.00 0.00 41.96 41.44 2vvi s TYR 169 CO 0.20 -0.47 0.51 -0.98 -1.34 0.00 0.00 175.55 173.47 2vvi s ARG 170 N 2.08 3.82 -0.04 4.97 1.04 -1.26 -0.78 118.95 128.78 2vvi s ARG 170 Ca 0.02 0.28 -0.00 0.00 -1.04 0.00 0.00 55.73 54.99 2vvi s ARG 170 Cb -0.15 -2.80 0.03 0.00 -2.04 0.00 0.00 34.95 29.98 2vvi s ARG 170 CO -0.08 0.42 0.01 0.00 -0.04 0.00 0.00 175.30 175.61 2vvi s ASP 172 N 1.38 5.89 -0.04 0.00 1.01 -0.15 -0.14 116.67 124.62 2vvi s ASP 172 Ca -0.05 0.08 0.04 0.00 0.71 0.00 0.00 52.55 53.33 2vvi s ASP 172 Cb -0.13 -2.05 -0.00 0.00 1.01 0.00 0.00 42.92 41.75 2vvi s ASP 172 CO -0.03 0.09 -0.15 -0.55 0.21 0.00 0.00 175.17 174.74 2vvi s SER 173 N 0.91 1.96 -0.09 0.27 0.15 -0.53 0.04 113.70 116.40 2vvi s SER 173 Ca 0.06 -0.32 0.03 0.00 0.70 0.00 0.00 55.95 56.43 2vvi s SER 173 Cb -0.13 -0.52 0.01 0.00 -1.71 0.00 0.00 66.02 63.67 2vvi s SER 173 CO 0.03 0.14 -0.19 -0.60 1.20 0.00 0.00 173.24 173.82 2vvi s ARG 174 N 0.04 2.53 -0.06 5.44 3.52 -0.91 -1.75 118.95 127.77 2vvi s ARG 174 Ca -0.03 -0.70 0.05 0.00 -0.13 0.00 0.00 55.73 54.92 2vvi s ARG 174 Cb -0.11 -1.98 -0.02 0.00 -1.56 0.00 0.00 34.95 31.29 2vvi s ARG 174 CO 0.02 0.10 -0.20 0.99 -0.81 0.00 0.00 175.30 175.39 2vvi s THR 175 N 0.54 2.54 -0.11 4.11 2.01 0.14 -1.55 115.64 123.31 2vvi s THR 175 Ca -0.16 -0.90 -0.01 0.00 0.31 0.00 0.00 61.69 60.93 2vvi s THR 175 Cb -0.17 -1.96 -0.03 0.00 0.01 0.00 0.00 72.50 70.35 2vvi s THR 175 CO 0.06 0.57 -0.06 0.42 -0.69 0.00 0.00 174.62 174.93 2vvi s THR 176 N -0.41 3.78 -0.11 -0.82 -4.23 -0.04 -0.55 115.64 113.26 2vvi s THR 176 Ca 0.04 -0.43 0.01 0.00 -1.18 0.00 0.00 61.69 60.13 2vvi s THR 176 Cb -0.12 -2.60 -0.02 0.00 1.34 0.00 0.00 72.50 71.11 2vvi s THR 176 CO 0.02 0.55 -0.13 -0.31 -0.54 0.00 0.00 174.62 174.20 2vvi s TYR 177 N -0.25 2.78 -0.22 3.99 2.02 0.34 -1.75 117.35 124.27 2vvi s TYR 177 Ca 0.04 -0.52 -0.03 0.00 -0.37 0.00 0.00 57.07 56.18 2vvi s TYR 177 Cb -0.13 -1.79 0.07 0.00 -0.40 0.00 0.00 41.96 39.71 2vvi s TYR 177 CO 0.02 -0.11 0.06 0.15 -1.57 0.00 0.00 175.55 174.11 2vvi s LYS 178 N 0.08 0.52 0.49 -0.62 1.02 0.46 -3.85 119.74 117.83 2vvi s LYS 178 Ca -0.06 -0.48 -0.24 0.00 0.02 0.00 0.00 55.97 55.22 2vvi s LYS 178 Cb -0.15 -1.94 -0.07 0.00 -0.52 0.00 0.00 37.83 35.15 2vvi s LYS 178 CO 0.04 -0.74 1.36 0.00 -0.92 0.00 0.00 175.35 175.09 2vvi s ALA 179 N 1.89 3.03 0.14 5.17 0.00 -1.26 -1.02 121.76 129.72 2vvi s ALA 179 Ca 0.02 1.33 -0.07 0.00 0.00 0.00 0.00 51.96 53.24 2vvi s ALA 179 Cb -0.17 -3.55 -0.04 0.00 0.00 0.00 0.00 23.12 19.36 2vvi s ALA 179 CO -0.14 -1.18 1.38 0.87 0.00 0.00 0.00 175.76 176.69 2vvi h LYS 180 N 1.96 0.62 -6.59 0.00 1.79 -1.51 -3.45 116.57 109.38 2vvi h LYS 180 Ca -0.51 -0.49 -0.51 0.00 -2.18 0.00 0.00 60.65 56.96 2vvi h LYS 180 Cb 1.28 0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 31.99 2vvi h LYS 180 CO 0.59 1.11 0.13 -2.00 -1.08 0.00 0.00 179.45 178.20 2vvi s GLU 181 N -3.73 4.28 0.48 3.15 2.12 -1.26 -5.05 118.70 118.68 2vvi s GLU 181 Ca -0.08 0.91 -0.23 0.00 0.36 0.00 0.00 54.97 55.93 2vvi s GLU 181 Cb 0.10 -2.88 -0.07 0.00 0.26 0.00 0.00 34.13 31.54 2vvi s GLU 181 CO 0.87 0.39 1.22 0.15 -0.54 0.00 0.00 175.26 177.35 2vvi s LYS 182 N -1.97 3.61 -0.52 4.30 -0.14 -1.26 -3.98 119.74 119.76 2vvi s LYS 182 Ca 0.43 1.90 -0.01 0.00 -1.36 0.00 0.00 55.97 56.94 2vvi s LYS 182 Cb -0.17 -2.38 0.00 0.00 -1.68 0.00 0.00 37.83 33.61 2vvi s LYS 182 CO 0.21 -0.71 0.08 0.41 -0.76 0.00 0.00 175.35 174.58 2vvi n GLY 183 N 0.52 0.19 3.69 -3.33 0.00 -1.26 -5.01 105.19 99.98 2vvi n GLY 183 Ca 0.08 -0.57 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.48 4.94 -0.11 1.61 1.01 -1.26 -5.00 120.40 119.10 2vvi s VAL 184 Ca 0.04 1.59 -0.30 0.00 0.00 0.00 0.00 61.98 63.32 2vvi s VAL 184 Cb -0.02 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 2vvi s VAL 184 CO 0.05 0.11 1.21 -0.75 0.00 0.00 0.00 175.10 175.72 2vvi s LYS 185 N 1.61 4.30 0.22 2.72 2.20 -1.26 -5.00 119.74 124.54 2vvi s LYS 185 Ca 0.39 1.65 -0.30 0.00 -0.36 0.00 0.00 55.97 57.35 2vvi s LYS 185 Cb -0.17 -3.65 -0.08 0.00 -1.51 0.00 0.00 37.83 32.42 2vvi s LYS 185 CO 0.16 -0.56 1.10 -0.51 -0.36 0.00 0.00 175.35 175.17 2vvi s LEU 186 N 2.78 4.52 0.76 5.43 1.43 -1.26 -4.65 118.68 127.69 2vvi s LEU 186 Ca 0.55 2.17 -0.12 0.00 -1.03 0.00 0.00 54.13 55.70 2vvi s LEU 186 Cb -0.23 -3.61 0.05 0.00 0.03 0.00 0.00 46.19 42.43 2vvi s LEU 186 CO 0.18 -0.18 1.14 -2.16 0.23 0.00 0.00 176.35 175.56 2vvi s PRO 187 N -0.83 2.41 0.86 1.29 0.04 -1.26 -5.00 135.00 132.50 2vvi s PRO 187 Ca 0.47 0.30 -0.08 0.00 0.04 0.00 0.00 61.00 61.73 2vvi s PRO 187 Cb -0.30 -1.98 0.18 0.00 0.04 0.00 0.00 34.50 32.43 2vvi s PRO 187 CO 0.37 -1.32 1.17 0.20 0.04 0.00 0.00 177.00 177.47 2vvi s GLY 188 N -4.45 1.78 0.31 0.56 0.00 -1.26 -4.68 107.32 99.57 2vvi s GLY 188 Ca 0.60 -1.58 -0.30 0.00 0.00 0.00 0.00 44.72 43.45 2vvi s GLY 188 CO 0.51 -0.87 1.54 2.98 0.00 0.00 0.00 173.10 177.25 2vvi n TYR 189 N -3.33 2.80 -3.82 1.90 9.36 -1.26 -4.79 117.16 118.02 2vvi n TYR 189 Ca 0.16 0.33 -0.06 0.00 3.32 0.00 0.00 57.90 61.66 2vvi n TYR 189 Cb 0.60 -2.56 0.00 0.00 -0.63 0.00 0.00 39.34 36.75 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 -0.35 -0.05 0.08 2.98 -3.43 -0.75 -4.97 115.29 108.79 2vvi s HIS 190 Ca 0.61 -0.44 0.09 0.00 -0.80 0.00 0.00 55.06 54.53 2vvi s HIS 190 Cb -0.51 0.73 -0.03 0.00 -1.43 0.00 0.00 32.58 31.34 2vvi s HIS 190 CO 0.53 -1.21 -0.23 -0.51 -2.00 0.00 0.00 174.74 171.32 2vvi s LEU 191 N -3.04 2.39 -0.25 5.38 1.43 0.11 -0.68 118.68 124.02 2vvi s LEU 191 Ca 0.14 -0.59 0.01 0.00 -1.03 0.00 0.00 54.13 52.67 2vvi s LEU 191 Cb -0.04 -1.36 0.06 0.00 0.03 0.00 0.00 46.19 44.88 2vvi s LEU 191 CO 0.07 0.23 -0.05 -0.69 0.23 0.00 0.00 176.35 176.13 2vvi s VAL 192 N -0.95 1.67 0.24 -1.59 1.01 -0.23 -0.92 120.40 119.64 2vvi s VAL 192 Ca 0.14 -1.38 -0.30 0.00 0.00 0.00 0.00 61.98 60.45 2vvi s VAL 192 Cb -0.10 -1.94 -0.09 0.00 0.00 0.00 0.00 36.38 34.25 2vvi s VAL 192 CO 0.05 -0.14 1.11 -1.81 0.00 0.00 0.00 175.10 174.31 2vvi s ASP 193 N 1.32 7.25 0.08 3.32 1.01 0.01 -0.75 116.67 128.92 2vvi s ASP 193 Ca -0.05 2.21 -0.08 0.00 0.71 0.00 0.00 52.55 55.34 2vvi s ASP 193 Cb -0.19 -2.62 -0.01 0.00 1.01 0.00 0.00 42.92 41.12 2vvi s ASP 193 CO -0.07 -0.18 0.16 -1.38 0.21 0.00 0.00 175.17 173.91 2vvi s HIS 194 N -0.79 0.18 -0.01 4.23 -3.43 -0.07 -0.94 115.29 114.47 2vvi s HIS 194 Ca 0.47 -0.59 0.01 0.00 -0.80 0.00 0.00 55.06 54.15 2vvi s HIS 194 Cb -0.31 -0.09 0.00 0.00 -1.43 0.00 0.00 32.58 30.75 2vvi s HIS 194 CO 0.39 -0.50 -0.02 0.00 -2.00 0.00 0.00 174.74 172.60 2vvi s ILE 196 N 0.08 0.83 -0.07 0.00 2.07 -1.26 -1.66 121.20 121.19 2vvi s ILE 196 Ca -0.00 -0.44 -0.04 0.00 -1.41 0.00 0.00 60.65 58.76 2vvi s ILE 196 Cb -0.03 -0.70 0.03 0.00 0.13 0.00 0.00 42.46 41.90 2vvi s ILE 196 CO -0.00 0.24 0.16 -0.70 -1.91 0.00 0.00 174.94 172.72 2vvi s GLU 197 N -0.19 0.13 -0.34 3.50 2.12 0.17 -4.57 118.70 119.52 2vvi s GLU 197 Ca 0.03 0.36 -0.29 0.00 0.36 0.00 0.00 54.97 55.43 2vvi s GLU 197 Cb -0.05 -0.11 0.02 0.00 0.26 0.00 0.00 34.13 34.25 2vvi s GLU 197 CO -0.00 -0.13 1.06 0.42 -0.54 0.00 0.00 175.26 176.07 2vvi s ILE 198 N 0.94 4.50 0.01 -3.70 1.01 -1.26 -0.57 121.20 122.11 2vvi s ILE 198 Ca -0.07 1.63 -0.08 0.00 0.00 0.00 0.00 60.65 62.13 2vvi s ILE 198 Cb -0.09 -4.42 -0.30 0.00 0.01 0.00 0.00 42.46 37.66 2vvi s ILE 198 CO -0.05 -0.53 0.88 -0.07 0.00 0.00 0.00 174.94 175.18 2vvi h LEU 199 N 10.17 0.55 -7.20 2.97 3.38 -0.95 -3.48 115.31 120.76 2vvi h LEU 199 Ca -0.21 -0.71 -0.04 0.00 0.09 0.00 0.00 57.88 57.02 2vvi h LEU 199 Cb 1.06 -0.18 -0.12 0.00 0.09 0.00 0.00 40.66 41.51 2vvi h LEU 199 CO 1.03 1.58 0.07 -0.94 0.09 0.00 0.00 178.44 180.27 2vvi s SER 200 N -7.21 -0.40 -0.04 -0.43 1.04 -1.20 -5.01 113.70 100.44 2vvi s SER 200 Ca -0.10 -0.16 -0.29 0.00 0.48 0.00 0.00 55.95 55.88 2vvi s SER 200 Cb 0.06 0.54 0.08 0.00 0.10 0.00 0.00 66.02 66.80 2vvi s SER 200 CO 0.88 -0.91 0.75 -1.38 0.98 0.00 0.00 173.24 173.55 2vvi s HIS 201 N -3.78 -0.56 0.97 5.02 -3.43 -1.26 -1.34 115.29 110.91 2vvi s HIS 201 Ca 0.02 0.84 -0.16 0.00 -0.80 0.00 0.00 55.06 54.96 2vvi s HIS 201 Cb 0.00 0.45 0.20 0.00 -1.43 0.00 0.00 32.58 31.80 2vvi s HIS 201 CO -0.13 -0.59 1.30 0.16 -2.00 0.00 0.00 174.74 173.49 2vvi s ASP 202 N -1.50 3.09 0.21 7.38 1.47 -0.99 -4.94 116.67 121.38 2vvi s ASP 202 Ca -0.06 0.33 -0.10 0.00 1.18 0.00 0.00 52.55 53.90 2vvi s ASP 202 Cb -0.00 -0.41 0.22 0.00 -0.34 0.00 0.00 42.92 42.39 2vvi s ASP 202 CO 0.03 -2.76 1.81 0.50 0.68 0.00 0.00 175.17 175.44 2vvi h LYS 203 N -1.66 0.68 -0.71 2.11 3.64 -2.02 -2.29 116.57 116.33 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 1.24 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 2vvi h LYS 203 CO 0.40 0.45 0.00 -0.25 -2.27 0.00 0.00 179.45 177.78 2vvi n ASP 204 N -4.77 4.23 -2.50 4.20 8.00 -1.26 -4.94 116.55 119.51 2vvi n ASP 204 Ca 0.08 -2.17 -0.21 0.00 0.71 0.00 0.00 54.79 53.21 2vvi n ASP 204 Cb 0.15 -0.52 -0.00 0.00 -0.02 0.00 0.00 41.12 40.73 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 1.46 -1.17 0.18 1.24 4.02 -0.86 -4.35 117.16 117.68 2vvi n TYR 205 Ca 0.25 0.08 0.06 0.00 -0.01 0.00 0.00 57.90 58.28 2vvi n TYR 205 Cb 0.72 -3.98 0.26 0.00 -0.02 0.00 0.00 39.34 36.32 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 -0.20 0.00 -3.45 7.72 2.35 -1.92 -3.43 115.58 116.65 2vvi h ASN 206 Ca -0.49 0.00 -0.48 0.00 -0.55 0.00 0.00 56.30 54.78 2vvi h ASN 206 Cb 1.36 0.00 -0.33 0.00 0.05 0.00 0.00 38.32 39.39 2vvi h ASN 206 CO 0.57 0.36 -0.80 -0.54 -1.65 0.00 0.00 177.43 175.37 2vvi s LYS 207 N -3.38 1.39 -0.05 0.81 1.02 -1.26 -0.55 119.74 117.72 2vvi s LYS 207 Ca 0.02 -0.31 -0.03 0.00 0.02 0.00 0.00 55.97 55.67 2vvi s LYS 207 Cb 0.09 -1.20 0.02 0.00 -0.52 0.00 0.00 37.83 36.23 2vvi s LYS 207 CO 0.69 -0.00 0.11 0.08 -0.92 0.00 0.00 175.35 175.30 2vvi s VAL 208 N 0.72 -0.03 -0.22 3.17 1.01 -0.06 -2.33 120.40 122.65 2vvi s VAL 208 Ca -0.13 0.11 -0.07 0.00 0.00 0.00 0.00 61.98 61.89 2vvi s VAL 208 Cb -0.15 -0.17 -0.03 0.00 0.00 0.00 0.00 36.38 36.02 2vvi s VAL 208 CO 0.03 0.04 0.06 -0.75 0.00 0.00 0.00 175.10 174.48 2vvi s LYS 209 N 0.67 3.75 0.03 2.72 2.20 -0.45 0.67 119.74 129.33 2vvi s LYS 209 Ca -0.05 -0.44 0.09 0.00 -0.36 0.00 0.00 55.97 55.20 2vvi s LYS 209 Cb -0.07 -3.26 -0.03 0.00 -1.51 0.00 0.00 37.83 32.97 2vvi s LYS 209 CO -0.03 -0.02 -0.26 -1.17 -0.36 0.00 0.00 175.35 173.51 2vvi s LEU 210 N 1.15 2.15 -0.01 5.43 2.96 -0.11 -0.21 118.68 130.04 2vvi s LEU 210 Ca 0.04 -0.57 0.02 0.00 -0.22 0.00 0.00 54.13 53.41 2vvi s LEU 210 Cb -0.14 -1.29 -0.01 0.00 0.50 0.00 0.00 46.19 45.26 2vvi s LEU 210 CO 0.03 0.27 -0.08 -0.47 -1.32 0.00 0.00 176.35 174.78 2vvi s TYR 211 N -0.77 0.68 0.02 5.38 5.04 0.26 -0.85 117.35 127.12 2vvi s TYR 211 Ca 0.11 -0.13 0.02 0.00 -2.44 0.00 0.00 57.07 54.64 2vvi s TYR 211 Cb -0.10 -0.44 -0.02 0.00 0.35 0.00 0.00 41.96 41.76 2vvi s TYR 211 CO 0.01 -0.01 -0.07 -2.00 -1.34 0.00 0.00 175.55 172.14 2vvi s GLU 212 N -0.17 0.53 -0.09 4.97 2.12 0.05 -0.65 118.70 125.46 2vvi s GLU 212 Ca 0.03 -0.53 0.01 0.00 0.36 0.00 0.00 54.97 54.84 2vvi s GLU 212 Cb -0.03 -0.40 0.02 0.00 0.26 0.00 0.00 34.13 33.98 2vvi s GLU 212 CO -0.00 0.09 -0.11 -1.58 -0.54 0.00 0.00 175.26 173.12 2vvi s HIS 213 N -0.84 1.50 0.02 5.30 5.65 -0.67 -1.89 115.29 124.36 2vvi s HIS 213 Ca -0.04 -0.64 0.03 0.00 0.25 0.00 0.00 55.06 54.66 2vvi s HIS 213 Cb -0.07 -1.15 -0.01 0.00 -1.18 0.00 0.00 32.58 30.17 2vvi s HIS 213 CO 0.00 -0.37 -0.09 0.00 -0.65 0.00 0.00 174.74 173.63 2vvi s ALA 214 N 1.05 0.69 -0.06 1.58 0.00 -0.23 -1.42 121.76 123.37 2vvi s ALA 214 Ca -0.07 -0.54 -0.02 0.00 0.00 0.00 0.00 51.96 51.33 2vvi s ALA 214 Cb -0.15 -0.10 0.04 0.00 0.00 0.00 0.00 23.12 22.91 2vvi s ALA 214 CO -0.01 0.11 0.12 0.08 0.00 0.00 0.00 175.76 176.06 2vvi s VAL 215 N -0.64 -0.11 0.22 0.00 1.01 -0.12 -1.56 120.40 119.20 2vvi s VAL 215 Ca -0.01 0.26 -0.21 0.00 0.00 0.00 0.00 61.98 62.02 2vvi s VAL 215 Cb -0.06 -0.22 -0.08 0.00 0.00 0.00 0.00 36.38 36.02 2vvi s VAL 215 CO 0.00 0.11 0.74 0.00 0.00 0.00 0.00 175.10 175.95 2vvi s ALA 216 N 1.54 3.41 0.20 5.51 0.00 -0.05 -0.81 121.76 131.55 2vvi s ALA 216 Ca -0.05 0.20 -0.19 0.00 0.00 0.00 0.00 51.96 51.92 2vvi s ALA 216 Cb -0.12 -2.85 0.04 0.00 0.00 0.00 0.00 23.12 20.19 2vvi s ALA 216 CO -0.05 0.32 0.56 -3.38 0.00 0.00 0.00 175.76 173.21 2vvi s HIS 217 N -1.48 -0.23 -0.49 0.00 -3.43 -0.10 -4.47 115.29 105.10 2vvi s HIS 217 Ca 0.42 -0.10 0.24 0.00 -0.80 0.00 0.00 55.06 54.82 2vvi s HIS 217 Cb -0.17 0.47 0.30 0.00 -1.43 0.00 0.00 32.58 31.74 2vvi s HIS 217 CO 0.22 -0.94 1.35 0.77 -2.00 0.00 0.00 174.74 174.14 2vvi h SER 218 N 2.13 0.00 -3.99 7.38 0.02 -1.93 0.34 113.55 117.50 2vvi h SER 218 Ca -0.29 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 2vvi h SER 218 Cb 1.27 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.81 2vvi h SER 218 CO 0.36 0.04 -0.01 0.61 -1.14 0.00 0.00 176.83 176.69 2vvi n GLY 219 N 1.24 -1.47 3.77 -3.77 0.00 -1.26 -4.76 105.19 98.93 2vvi n GLY 219 Ca 0.03 -1.52 -0.40 0.00 0.00 0.00 0.00 46.02 44.12 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 -2.91 4.15 0.00 0.99 1.43 -1.26 -5.15 118.68 115.94 2vvi s LEU 220 Ca 0.00 2.96 0.28 0.00 -1.03 0.00 0.00 54.13 56.33 2vvi s LEU 220 Cb 0.00 -3.88 0.98 0.00 0.03 0.00 0.00 46.19 43.32 2vvi s LEU 220 CO 0.00 -1.12 1.71 -0.81 0.23 0.00 0.00 176.35 176.35