#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vul s GLN 3 N 0.00 2.60 -0.21 0.00 -2.07 -1.26 -4.64 119.66 114.08 2vul s GLN 3 Ca 0.00 -0.68 -0.02 0.00 -1.82 0.00 0.00 55.36 52.84 2vul s GLN 3 Cb 0.00 -2.53 0.01 0.00 -1.09 0.00 0.00 33.01 29.40 2vul s GLN 3 CO 0.00 0.62 -0.11 0.99 -1.32 0.00 0.00 175.29 175.47 2vul s THR 4 N -0.96 2.83 -0.13 3.63 2.01 -0.67 -4.94 115.64 117.40 2vul s THR 4 Ca 0.16 -0.70 -0.01 0.00 0.31 0.00 0.00 61.69 61.44 2vul s THR 4 Cb -0.11 -2.27 -0.02 0.00 0.01 0.00 0.00 72.50 70.11 2vul s THR 4 CO 0.06 0.45 -0.08 0.00 -0.69 0.00 0.00 174.62 174.36 2vul s LEU 6 N 0.21 2.64 0.00 0.00 1.43 0.59 -4.95 118.68 118.59 2vul s LEU 6 Ca -0.05 -0.69 0.00 0.00 -1.03 0.00 0.00 54.13 52.36 2vul s LEU 6 Cb -0.15 -1.41 0.00 0.00 0.03 0.00 0.00 46.19 44.67 2vul s LEU 6 CO 0.04 0.14 0.00 0.35 0.23 0.00 0.00 176.35 177.11 2vul n THR 7 N 0.42 0.00 -4.06 5.49 -2.24 -1.26 -1.31 114.28 111.32 2vul n THR 7 Ca -0.14 -0.32 -0.35 0.00 -2.27 0.00 0.00 64.05 60.97 2vul n THR 7 Cb 0.55 0.89 -0.09 0.00 -2.10 0.00 0.00 70.33 69.58 2vul n THR 7 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 2vul s SER 8 N -0.90 5.72 0.23 3.42 0.01 -1.26 -4.71 113.70 116.21 2vul s SER 8 Ca 0.00 0.19 -0.32 0.00 1.31 0.00 0.00 55.95 57.14 2vul s SER 8 Cb 0.00 -1.87 -0.13 0.00 0.21 0.00 0.00 66.02 64.23 2vul s SER 8 CO 0.00 0.28 1.53 -0.81 0.41 0.00 0.00 173.24 174.66 2vul n PRO 9 N 2.80 2.32 -3.66 12.44 -0.04 -1.26 -4.98 135.00 142.62 2vul n PRO 9 Ca -0.18 0.83 -0.03 0.00 -0.04 0.00 0.00 63.50 64.08 2vul n PRO 9 Cb 0.53 -2.57 -0.01 0.00 -0.04 0.00 0.00 33.50 31.41 2vul n PRO 9 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2vul s GLN 10 N 0.05 0.85 0.33 0.54 -2.07 -0.28 -5.00 119.66 114.08 2vul s GLN 10 Ca 0.70 -0.44 0.05 0.00 -1.82 0.00 0.00 55.36 53.86 2vul s GLN 10 Cb -0.60 0.31 -0.07 0.00 -1.09 0.00 0.00 33.01 31.57 2vul s GLN 10 CO 0.45 -0.39 0.02 0.95 -1.32 0.00 0.00 175.29 175.00 2vul s THR 11 N -2.97 1.49 -2.93 3.63 -4.23 -1.26 -1.20 115.64 108.18 2vul s THR 11 Ca 0.11 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 2vul s THR 11 Cb 0.00 -2.75 0.00 0.00 1.34 0.00 0.00 72.50 71.09 2vul s THR 11 CO -0.02 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.59 2vul n GLY 12 N -0.72 -0.58 3.09 3.99 0.00 -0.80 -5.00 105.19 105.16 2vul n GLY 12 Ca -0.04 -0.70 -0.22 0.00 0.00 0.00 0.00 46.02 45.07 2vul n GLY 12 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2vul s PHE 13 N -3.60 1.16 -0.10 1.61 0.08 -1.26 -1.21 117.98 114.66 2vul s PHE 13 Ca 0.00 -0.23 -0.04 0.00 0.12 0.00 0.00 56.93 56.78 2vul s PHE 13 Cb 0.00 -0.75 0.05 0.00 -0.57 0.00 0.00 43.02 41.75 2vul s PHE 13 CO 0.00 -0.03 0.21 -1.58 -0.10 0.00 0.00 175.22 173.72 2vul s HIS 14 N -0.27 -0.29 -1.57 0.36 2.46 0.84 -4.86 115.29 111.96 2vul s HIS 14 Ca 0.04 0.76 -0.16 0.00 0.47 0.00 0.00 55.06 56.17 2vul s HIS 14 Cb -0.05 -0.10 0.13 0.00 -0.13 0.00 0.00 32.58 32.42 2vul s HIS 14 CO -0.00 -0.28 0.77 0.09 -2.47 0.00 0.00 174.74 172.85 2vul n ASN 15 N 4.98 -3.77 0.00 9.88 3.02 -1.26 -1.17 115.26 126.94 2vul n ASN 15 Ca -0.12 -0.82 0.00 0.00 -0.03 0.00 0.00 54.58 53.61 2vul n ASN 15 Cb 0.51 -3.07 0.00 0.00 -0.61 0.00 0.00 39.78 36.61 2vul n ASN 15 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2vul n GLY 16 N -1.41 1.28 3.68 7.41 0.00 -1.26 -4.79 105.19 110.11 2vul n GLY 16 Ca 0.05 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 2vul n GLY 16 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2vul s PHE 17 N -3.30 3.22 0.57 1.61 0.08 -0.32 -5.06 117.98 114.78 2vul s PHE 17 Ca 0.00 0.17 -0.20 0.00 0.12 0.00 0.00 56.93 57.02 2vul s PHE 17 Cb 0.00 -1.87 -0.04 0.00 -0.57 0.00 0.00 43.02 40.54 2vul s PHE 17 CO 0.00 0.41 1.25 0.12 -0.10 0.00 0.00 175.22 176.89 2vul s PHE 18 N -0.59 2.41 0.01 0.36 5.36 -0.77 -0.11 117.98 124.65 2vul s PHE 18 Ca 0.10 1.48 -0.00 0.00 -0.96 0.00 0.00 56.93 57.55 2vul s PHE 18 Cb -0.12 -3.57 -0.01 0.00 -0.34 0.00 0.00 43.02 38.99 2vul s PHE 18 CO 0.02 -2.34 -0.01 1.52 -1.46 0.00 0.00 175.22 172.95 2vul s TYR 19 N -1.49 0.13 -0.05 10.12 -0.85 -0.35 -0.52 117.35 124.33 2vul s TYR 19 Ca 0.74 -0.26 0.03 0.00 -0.52 0.00 0.00 57.07 57.06 2vul s TYR 19 Cb -0.33 -0.10 0.01 0.00 0.38 0.00 0.00 41.96 41.92 2vul s TYR 19 CO 0.37 -0.10 -0.13 0.45 -1.52 0.00 0.00 175.55 174.63 2vul s SER 20 N -0.75 1.76 -0.21 -0.18 0.15 -0.88 -1.91 113.70 111.68 2vul s SER 20 Ca -0.08 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.28 2vul s SER 20 Cb -0.05 -0.68 0.05 0.00 -1.71 0.00 0.00 66.02 63.63 2vul s SER 20 CO -0.00 0.07 -0.05 0.12 1.20 0.00 0.00 173.24 174.57 2vul s PHE 21 N 0.43 2.10 0.02 3.44 5.36 -0.34 -1.44 117.98 127.54 2vul s PHE 21 Ca -0.10 -1.48 0.06 0.00 -0.96 0.00 0.00 56.93 54.45 2vul s PHE 21 Cb -0.13 -1.47 -0.02 0.00 -0.34 0.00 0.00 43.02 41.06 2vul s PHE 21 CO 0.03 -0.72 -0.18 -0.46 -1.46 0.00 0.00 175.22 172.43 2vul s TRP 22 N 1.50 1.63 -0.04 10.12 -0.00 0.18 -1.12 118.94 131.21 2vul s TRP 22 Ca -0.03 -0.34 -0.26 0.00 -0.00 0.00 0.00 56.10 55.47 2vul s TRP 22 Cb -0.17 -1.00 0.05 0.00 -0.00 0.00 0.00 33.47 32.35 2vul s TRP 22 CO -0.07 0.04 0.56 -1.59 -0.00 0.00 0.00 176.95 175.89 2vul s LYS 23 N -0.90 0.93 0.95 5.86 -2.85 -1.26 -0.95 119.74 121.52 2vul s LYS 23 Ca 0.06 0.11 -0.14 0.00 -1.00 0.00 0.00 55.97 55.00 2vul s LYS 23 Cb -0.08 0.43 0.21 0.00 -2.06 0.00 0.00 37.83 36.34 2vul s LYS 23 CO 0.01 -0.28 1.29 0.16 0.10 0.00 0.00 175.35 176.63 2vul s ASP 24 N -1.24 3.07 0.21 0.03 1.47 -0.93 -4.87 116.67 114.41 2vul s ASP 24 Ca -0.12 0.03 -0.04 0.00 1.18 0.00 0.00 52.55 53.61 2vul s ASP 24 Cb -0.02 -0.04 0.18 0.00 -0.34 0.00 0.00 42.92 42.70 2vul s ASP 24 CO 0.08 -2.74 1.62 0.77 0.68 0.00 0.00 175.17 175.58 2vul h SER 25 N -1.55 0.76 -4.00 2.11 4.64 -2.01 -3.46 113.55 110.05 2vul h SER 25 Ca -0.42 -0.29 -0.54 0.00 -0.47 0.00 0.00 61.79 60.07 2vul h SER 25 Cb 1.22 -0.21 0.12 0.00 -0.31 0.00 0.00 62.40 63.22 2vul h SER 25 CO 0.33 0.99 0.67 -2.84 -0.87 0.00 0.00 176.83 175.10 2vul s PRO 26 N -4.54 3.62 1.75 4.77 0.02 -1.26 -4.87 135.00 134.50 2vul s PRO 26 Ca -0.09 2.33 0.00 0.00 0.02 0.00 0.00 61.00 63.26 2vul s PRO 26 Cb 0.13 -2.59 0.00 0.00 0.02 0.00 0.00 34.50 32.06 2vul s PRO 26 CO 0.84 -0.84 0.00 0.41 -0.33 0.00 0.00 177.00 177.08 2vul n GLY 27 N 0.61 -1.22 3.00 0.52 0.00 -1.12 -4.07 105.19 102.91 2vul n GLY 27 Ca 0.06 -1.19 -0.23 0.00 0.00 0.00 0.00 46.02 44.65 2vul n GLY 27 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vul s THR 28 N 0.00 0.99 -0.16 2.61 2.01 -0.49 -4.89 115.64 115.72 2vul s THR 28 Ca 0.00 -0.41 0.01 0.00 0.31 0.00 0.00 61.69 61.60 2vul s THR 28 Cb 0.00 -0.92 0.00 0.00 0.01 0.00 0.00 72.50 71.60 2vul s THR 28 CO 0.00 0.32 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.39 2vul s VAL 29 N 0.64 2.47 -0.52 3.82 1.01 -1.26 -1.47 120.40 125.09 2vul s VAL 29 Ca -0.13 -0.83 -0.17 0.00 0.00 0.00 0.00 61.98 60.85 2vul s VAL 29 Cb -0.15 -2.04 0.09 0.00 0.00 0.00 0.00 36.38 34.28 2vul s VAL 29 CO 0.03 0.52 0.55 0.20 0.00 0.00 0.00 175.10 176.40 2vul s ASN 30 N 0.92 6.18 -0.30 3.32 -0.87 -0.13 -4.21 114.94 119.86 2vul s ASN 30 Ca -0.04 -1.33 -0.07 0.00 -1.57 0.00 0.00 52.86 49.85 2vul s ASN 30 Cb -0.15 -2.25 0.01 0.00 -0.02 0.00 0.00 41.25 38.84 2vul s ASN 30 CO -0.03 -0.86 0.09 0.12 -2.57 0.00 0.00 177.10 173.85 2vul s PHE 31 N 2.15 3.15 -0.06 2.20 5.36 -0.42 -1.75 117.98 128.60 2vul s PHE 31 Ca 0.09 -0.89 0.04 0.00 -0.96 0.00 0.00 56.93 55.21 2vul s PHE 31 Cb -0.24 -2.27 -0.02 0.00 -0.34 0.00 0.00 43.02 40.15 2vul s PHE 31 CO 0.07 -0.55 -0.19 0.00 -1.46 0.00 0.00 175.22 173.09 2vul s LEU 33 N -0.42 3.77 0.00 0.00 1.43 0.53 -0.54 118.68 123.45 2vul s LEU 33 Ca 0.04 -0.36 0.01 0.00 -1.03 0.00 0.00 54.13 52.80 2vul s LEU 33 Cb -0.12 -1.96 0.01 0.00 0.03 0.00 0.00 46.19 44.15 2vul s LEU 33 CO 0.02 -0.11 0.11 0.18 0.23 0.00 0.00 176.35 176.78 2vul n LEU 34 N 4.95 0.00 -4.61 1.79 4.32 -0.21 -1.67 117.00 121.56 2vul n LEU 34 Ca -0.15 -1.52 -0.43 0.00 -0.02 0.00 0.00 56.01 53.90 2vul n LEU 34 Cb 0.50 0.07 -0.00 0.00 -1.62 0.00 0.00 43.42 42.37 2vul n LEU 34 CO 0.32 -0.33 0.61 -1.84 -1.22 0.00 0.00 177.39 174.93 2vul n GLU 35 N -0.92 1.45 0.00 3.23 0.28 -1.26 -4.19 120.64 119.24 2vul n GLU 35 Ca -0.05 0.51 0.00 0.00 -0.16 0.00 0.00 57.16 57.46 2vul n GLU 35 Cb 0.32 -2.00 0.00 0.00 1.43 0.00 0.00 31.44 31.19 2vul n GLU 35 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2vul n GLY 36 N 1.15 3.23 1.04 -1.84 0.00 -1.26 -1.92 105.19 105.58 2vul n GLY 36 Ca 0.09 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 46.05 2vul n GLY 36 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vul n GLY 37 N 0.00 1.77 3.83 -0.02 0.00 -1.26 -4.68 105.19 104.84 2vul n GLY 37 Ca 0.00 -0.44 -0.38 0.00 0.00 0.00 0.00 46.02 45.20 2vul n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2vul s ARG 38 N -1.76 3.99 0.04 1.61 3.52 -0.81 0.00 118.95 125.55 2vul s ARG 38 Ca 0.26 0.50 -0.02 0.00 -0.13 0.00 0.00 55.73 56.34 2vul s ARG 38 Cb 0.18 -3.18 -0.03 0.00 -1.56 0.00 0.00 34.95 30.36 2vul s ARG 38 CO 0.11 0.65 0.01 1.52 -0.81 0.00 0.00 175.30 176.78 2vul s TYR 39 N -1.15 0.38 0.17 5.12 -0.85 0.42 -1.05 117.35 120.40 2vul s TYR 39 Ca 0.27 -0.82 0.08 0.00 -0.52 0.00 0.00 57.07 56.08 2vul s TYR 39 Cb -0.17 -0.28 -0.04 0.00 0.38 0.00 0.00 41.96 41.85 2vul s TYR 39 CO 0.16 -0.35 -0.16 0.95 -1.52 0.00 0.00 175.55 174.63 2vul s THR 40 N -3.18 1.70 0.03 -3.49 -4.23 0.30 -0.87 115.64 105.90 2vul s THR 40 Ca 0.00 -1.99 0.01 0.00 -1.18 0.00 0.00 61.69 58.53 2vul s THR 40 Cb 0.02 -1.86 -0.02 0.00 1.34 0.00 0.00 72.50 71.98 2vul s THR 40 CO -0.07 -0.44 -0.05 -0.94 -0.54 0.00 0.00 174.62 172.58 2vul s SER 41 N -2.87 0.45 -0.09 3.99 1.04 0.12 -0.64 113.70 115.71 2vul s SER 41 Ca 0.17 -0.49 -0.04 0.00 0.48 0.00 0.00 55.95 56.07 2vul s SER 41 Cb -0.04 0.07 0.05 0.00 0.10 0.00 0.00 66.02 66.20 2vul s SER 41 CO 0.06 -0.25 0.18 0.21 0.98 0.00 0.00 173.24 174.42 2vul s ASN 42 N -1.43 0.60 0.04 7.02 2.47 -0.72 -1.57 114.94 121.35 2vul s ASN 42 Ca -0.13 0.38 0.05 0.00 0.42 0.00 0.00 52.86 53.58 2vul s ASN 42 Cb -0.10 0.34 -0.02 0.00 -1.45 0.00 0.00 41.25 40.03 2vul s ASN 42 CO -0.00 -0.23 -0.15 -1.66 -3.72 0.00 0.00 177.10 171.33 2vul s TRP 43 N 2.21 1.34 -0.18 0.43 -2.14 0.24 -0.96 118.94 119.89 2vul s TRP 43 Ca 0.02 -0.36 -0.16 0.00 2.66 0.00 0.00 56.10 58.26 2vul s TRP 43 Cb -0.12 -0.79 0.05 0.00 -3.10 0.00 0.00 33.47 29.51 2vul s TRP 43 CO -0.06 0.05 0.47 -1.54 -2.66 0.00 0.00 176.95 173.21 2vul s SER 44 N -1.19 -0.51 -1.15 -2.66 1.04 -0.54 -0.96 113.70 107.72 2vul s SER 44 Ca 0.03 0.96 0.00 0.00 0.48 0.00 0.00 55.95 57.42 2vul s SER 44 Cb -0.08 0.96 0.00 0.00 0.10 0.00 0.00 66.02 66.99 2vul s SER 44 CO 0.01 -0.17 0.00 0.61 0.98 0.00 0.00 173.24 174.68 2vul n GLY 45 N 3.01 1.21 3.89 7.32 0.00 -1.22 -1.39 105.19 118.01 2vul n GLY 45 Ca -0.15 -0.46 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 2vul n GLY 45 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2vul s ILE 46 N -2.37 3.97 -0.13 -0.61 -5.25 -1.24 -2.78 121.20 112.79 2vul s ILE 46 Ca 0.00 0.38 -0.11 0.00 -0.99 0.00 0.00 60.65 59.93 2vul s ILE 46 Cb 0.00 -3.60 -0.04 0.00 2.95 0.00 0.00 42.46 41.77 2vul s ILE 46 CO 0.00 -0.71 -0.21 -3.20 -1.79 0.00 0.00 174.94 169.03 2vul n ASN 47 N -2.73 1.51 -3.78 4.36 5.15 -1.26 -3.24 115.26 115.28 2vul n ASN 47 Ca 0.05 0.41 -0.14 0.00 -0.60 0.00 0.00 54.58 54.31 2vul n ASN 47 Cb 0.56 -0.75 -0.15 0.00 -0.53 0.00 0.00 39.78 38.92 2vul n ASN 47 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 2vul s ASN 48 N -5.42 -0.04 0.03 1.20 2.47 -1.26 0.31 114.94 112.22 2vul s ASN 48 Ca -0.18 0.18 -0.05 0.00 0.42 0.00 0.00 52.86 53.24 2vul s ASN 48 Cb 0.02 0.10 -0.01 0.00 -1.45 0.00 0.00 41.25 39.91 2vul s ASN 48 CO 0.26 -0.11 0.07 -1.66 -3.72 0.00 0.00 177.10 171.94 2vul s TRP 49 N 0.86 0.19 -0.14 0.43 1.48 -0.68 -2.20 118.94 118.88 2vul s TRP 49 Ca -0.07 -0.45 -0.11 0.00 -1.06 0.00 0.00 56.10 54.41 2vul s TRP 49 Cb -0.09 -0.14 0.04 0.00 -1.16 0.00 0.00 33.47 32.12 2vul s TRP 49 CO -0.03 -0.31 0.37 0.08 -4.06 0.00 0.00 176.95 172.99 2vul s VAL 50 N -2.16 -0.01 0.04 -0.66 1.01 -0.13 -1.38 120.40 117.11 2vul s VAL 50 Ca -0.09 0.04 -0.28 0.00 0.00 0.00 0.00 61.98 61.65 2vul s VAL 50 Cb -0.04 -0.53 0.09 0.00 0.00 0.00 0.00 36.38 35.90 2vul s VAL 50 CO -0.03 0.02 1.06 -0.83 0.00 0.00 0.00 175.10 175.32 2vul s GLY 51 N 0.63 -0.33 0.00 4.51 0.00 -0.55 -0.64 107.32 110.94 2vul s GLY 51 Ca -0.04 0.59 0.00 0.00 0.00 0.00 0.00 44.72 45.27 2vul s GLY 51 CO -0.04 0.15 0.00 0.61 0.00 0.00 0.00 173.10 173.82 2vul n GLY 52 N -0.40 -2.01 3.71 0.20 0.00 -0.52 -0.84 105.19 105.34 2vul n GLY 52 Ca -0.07 -1.19 -0.27 0.00 0.00 0.00 0.00 46.02 44.49 2vul n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2vul s LYS 53 N -1.79 2.60 0.00 1.61 1.02 -1.25 -2.06 119.74 119.86 2vul s LYS 53 Ca 0.00 -0.98 0.00 0.00 0.02 0.00 0.00 55.97 55.01 2vul s LYS 53 Cb 0.00 -2.48 0.00 0.00 -0.52 0.00 0.00 37.83 34.83 2vul s LYS 53 CO 0.00 0.48 0.00 0.41 -0.92 0.00 0.00 175.35 175.32 2vul n GLY 54 N -0.09 -0.32 3.06 -3.33 0.00 0.32 -0.94 105.19 103.89 2vul n GLY 54 Ca -0.09 0.37 -0.20 0.00 0.00 0.00 0.00 46.02 46.10 2vul n GLY 54 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2vul s TRP 55 N 0.00 0.98 0.34 1.61 0.51 0.13 -1.84 118.94 120.67 2vul s TRP 55 Ca 0.00 -0.21 0.09 0.00 -2.12 0.00 0.00 56.10 53.87 2vul s TRP 55 Cb 0.00 -0.62 0.63 0.00 -0.81 0.00 0.00 33.47 32.67 2vul s TRP 55 CO 0.00 -0.01 1.80 0.37 -0.51 0.00 0.00 176.95 178.59 2vul h GLN 56 N 5.74 0.15 -4.47 4.98 4.15 -1.91 -1.28 115.11 122.48 2vul h GLN 56 Ca -0.33 -0.06 -0.57 0.00 0.77 0.00 0.00 58.65 58.47 2vul h GLN 56 Cb 1.17 -0.01 -0.36 0.00 0.21 0.00 0.00 27.48 28.49 2vul h GLN 56 CO 0.49 0.47 -0.82 0.99 -1.93 0.00 0.00 178.83 178.03 2vul s THR 57 N -4.30 1.32 0.85 2.39 2.01 -1.26 -2.88 115.64 113.77 2vul s THR 57 Ca -0.04 -0.47 -0.11 0.00 0.31 0.00 0.00 61.69 61.38 2vul s THR 57 Cb 0.14 -1.27 0.10 0.00 0.01 0.00 0.00 72.50 71.48 2vul s THR 57 CO 0.75 0.42 1.10 -0.83 -0.69 0.00 0.00 174.62 175.36 2vul s GLY 58 N 1.57 1.66 0.00 4.40 0.00 0.84 -4.84 107.32 110.94 2vul s GLY 58 Ca 0.05 0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.98 2vul s GLY 58 CO -0.09 0.64 0.00 -1.14 0.00 0.00 0.00 173.10 172.50 2vul n SER 59 N -3.83 0.00 -0.57 1.64 3.41 -1.26 -4.83 113.62 108.18 2vul n SER 59 Ca 0.09 -0.96 0.01 0.00 -0.26 0.00 0.00 58.87 57.74 2vul n SER 59 Cb 0.53 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.53 2vul n SER 59 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2vul n ARG 60 N 0.00 1.42 -1.34 4.33 1.74 -1.26 -4.90 116.66 116.65 2vul n ARG 60 Ca 0.00 -0.37 -0.35 0.00 -0.77 0.00 0.00 57.85 56.36 2vul n ARG 60 Cb 0.00 -1.49 0.09 0.00 -1.02 0.00 0.00 32.46 30.04 2vul n ARG 60 CO 0.00 0.00 0.00 2.89 -1.52 0.00 0.00 177.63 179.00 2vul n ARG 61 N 0.02 0.51 -3.30 5.56 1.85 -1.26 -4.22 116.66 115.81 2vul n ARG 61 Ca 0.03 0.23 -0.38 0.00 -1.00 0.00 0.00 57.85 56.73 2vul n ARG 61 Cb 0.31 -2.31 -0.06 0.00 -1.05 0.00 0.00 32.46 29.35 2vul n ARG 61 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 2vul s ASN 62 N -1.71 6.91 -0.12 2.89 0.01 -1.26 -3.90 114.94 117.75 2vul s ASN 62 Ca 0.74 1.08 0.02 0.00 -0.71 0.00 0.00 52.86 54.00 2vul s ASN 62 Cb -0.34 -2.32 0.01 0.00 0.41 0.00 0.00 41.25 39.01 2vul s ASN 62 CO 0.49 0.17 -0.19 -0.63 -1.51 0.00 0.00 177.10 175.44 2vul s ILE 63 N -0.45 1.77 0.00 0.60 1.01 -0.38 -4.96 121.20 118.79 2vul s ILE 63 Ca 0.28 -0.81 0.04 0.00 0.00 0.00 0.00 60.65 60.16 2vul s ILE 63 Cb -0.18 -1.59 -0.03 0.00 0.01 0.00 0.00 42.46 40.68 2vul s ILE 63 CO 0.16 0.49 -0.10 -0.89 0.00 0.00 0.00 174.94 174.60 2vul s THR 64 N 0.88 3.37 0.06 2.92 2.01 -1.26 0.74 115.64 124.36 2vul s THR 64 Ca -0.07 -0.86 -0.17 0.00 0.31 0.00 0.00 61.69 60.89 2vul s THR 64 Cb -0.15 -2.44 0.03 0.00 0.01 0.00 0.00 72.50 69.96 2vul s THR 64 CO -0.01 0.41 0.40 -0.72 -0.69 0.00 0.00 174.62 174.01 2vul s TYR 65 N -0.94 -0.24 0.12 4.92 -0.85 -0.35 0.02 117.35 120.03 2vul s TYR 65 Ca 0.16 0.13 -0.07 0.00 -0.52 0.00 0.00 57.07 56.77 2vul s TYR 65 Cb -0.11 0.21 -0.01 0.00 0.38 0.00 0.00 41.96 42.43 2vul s TYR 65 CO 0.06 -0.59 0.19 -1.54 -1.52 0.00 0.00 175.55 172.15 2vul s SER 66 N -2.17 0.14 0.00 -0.18 1.04 -0.75 -1.15 113.70 110.63 2vul s SER 66 Ca -0.04 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.58 2vul s SER 66 Cb -0.00 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.48 2vul s SER 66 CO -0.04 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.01 2vul n GLY 67 N -0.11 0.42 3.08 7.32 0.00 -1.26 -1.22 105.19 113.43 2vul n GLY 67 Ca -0.11 -1.27 -0.09 0.00 0.00 0.00 0.00 46.02 44.55 2vul n GLY 67 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vul s SER 68 N -4.00 0.18 -0.16 1.61 1.04 0.31 -4.84 113.70 107.85 2vul s SER 68 Ca 0.00 -0.50 -0.11 0.00 0.48 0.00 0.00 55.95 55.83 2vul s SER 68 Cb 0.00 0.19 0.05 0.00 0.10 0.00 0.00 66.02 66.36 2vul s SER 68 CO 0.00 -0.44 0.41 0.12 0.98 0.00 0.00 173.24 174.31 2vul s PHE 69 N -2.20 -0.54 -0.23 5.02 5.36 -1.26 -1.20 117.98 122.92 2vul s PHE 69 Ca -0.09 1.21 -0.13 0.00 -0.96 0.00 0.00 56.93 56.96 2vul s PHE 69 Cb -0.04 0.22 0.07 0.00 -0.34 0.00 0.00 43.02 42.93 2vul s PHE 69 CO -0.03 -0.30 0.56 1.21 -1.46 0.00 0.00 175.22 175.21 2vul s ASN 70 N 0.98 -0.75 -0.18 6.13 3.84 -0.16 -5.00 114.94 119.79 2vul s ASN 70 Ca -0.06 1.23 -0.14 0.00 0.21 0.00 0.00 52.86 54.11 2vul s ASN 70 Cb -0.06 1.12 0.05 0.00 -0.55 0.00 0.00 41.25 41.80 2vul s ASN 70 CO -0.08 -0.22 0.47 0.28 -2.79 0.00 0.00 177.10 174.76 2vul s THR 71 N 1.46 -0.01 -1.62 -5.21 -1.32 -1.26 -1.13 115.64 106.55 2vul s THR 71 Ca -0.09 0.04 0.27 0.00 -1.21 0.00 0.00 61.69 60.69 2vul s THR 71 Cb -0.06 -0.67 0.56 0.00 -1.51 0.00 0.00 72.50 70.82 2vul s THR 71 CO -0.16 0.01 1.92 -0.81 -2.21 0.00 0.00 174.62 173.37 2vul n PRO 72 N 3.51 0.53 0.00 7.08 -0.04 -1.26 -4.58 135.00 140.25 2vul n PRO 72 Ca -0.18 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.31 2vul n PRO 72 Cb 0.56 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 2vul n PRO 72 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2vul n GLY 73 N 0.85 4.99 3.66 0.55 0.00 -1.26 -4.65 105.19 109.33 2vul n GLY 73 Ca 0.15 -1.78 -0.43 0.00 0.00 0.00 0.00 46.02 43.97 2vul n GLY 73 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2vul s ASN 74 N 0.95 7.03 -0.01 1.61 3.84 -1.26 -0.94 114.94 126.16 2vul s ASN 74 Ca 0.00 1.29 -0.30 0.00 0.21 0.00 0.00 52.86 54.07 2vul s ASN 74 Cb 0.00 -2.51 0.10 0.00 -0.55 0.00 0.00 41.25 38.29 2vul s ASN 74 CO 0.00 -0.62 1.02 -0.83 -2.79 0.00 0.00 177.10 173.88 2vul s GLY 75 N 1.23 -0.37 0.04 1.21 0.00 -1.26 -1.38 107.32 106.79 2vul s GLY 75 Ca 0.42 0.91 0.03 0.00 0.00 0.00 0.00 44.72 46.08 2vul s GLY 75 CO 0.07 0.28 -0.10 -0.19 0.00 0.00 0.00 173.10 173.17 2vul s TYR 76 N -2.93 0.82 -0.22 1.90 2.02 0.34 -0.74 117.35 118.55 2vul s TYR 76 Ca 0.09 -0.43 -0.01 0.00 -0.37 0.00 0.00 57.07 56.34 2vul s TYR 76 Cb -0.00 -0.49 0.02 0.00 -0.40 0.00 0.00 41.96 41.09 2vul s TYR 76 CO -0.05 -0.03 -0.10 -1.17 -1.57 0.00 0.00 175.55 172.62 2vul s LEU 77 N -1.41 2.80 -0.13 -1.29 2.96 -0.17 -1.09 118.68 120.34 2vul s LEU 77 Ca -0.06 -0.70 -0.22 0.00 -0.22 0.00 0.00 54.13 52.93 2vul s LEU 77 Cb -0.09 -1.62 0.05 0.00 0.50 0.00 0.00 46.19 45.03 2vul s LEU 77 CO 0.01 -0.06 0.56 0.00 -1.32 0.00 0.00 176.35 175.53 2vul s ALA 78 N 1.34 -1.41 0.17 5.97 0.00 -0.27 -1.20 121.76 126.36 2vul s ALA 78 Ca 0.03 1.31 -0.31 0.00 0.00 0.00 0.00 51.96 52.99 2vul s ALA 78 Cb -0.15 -0.50 -0.09 0.00 0.00 0.00 0.00 23.12 22.38 2vul s ALA 78 CO -0.07 -0.30 1.41 -1.17 0.00 0.00 0.00 175.76 175.63 2vul s LEU 79 N -0.41 4.38 -0.04 0.00 2.96 -0.01 0.19 118.68 125.75 2vul s LEU 79 Ca -0.06 2.45 -0.02 0.00 -0.22 0.00 0.00 54.13 56.29 2vul s LEU 79 Cb -0.03 -3.60 0.02 0.00 0.50 0.00 0.00 46.19 43.08 2vul s LEU 79 CO 0.04 -0.66 0.09 -0.47 -1.32 0.00 0.00 176.35 174.04 2vul s TYR 80 N 0.67 -0.09 0.22 5.38 5.04 0.07 0.08 117.35 128.71 2vul s TYR 80 Ca 0.63 0.30 -0.21 0.00 -2.44 0.00 0.00 57.07 55.34 2vul s TYR 80 Cb -0.39 -0.07 0.07 0.00 0.35 0.00 0.00 41.96 41.93 2vul s TYR 80 CO 0.35 -0.10 1.00 0.20 -1.34 0.00 0.00 175.55 175.66 2vul s GLY 81 N 0.68 0.16 0.09 8.97 0.00 -0.77 -0.80 107.32 115.65 2vul s GLY 81 Ca -0.05 -0.42 0.04 0.00 0.00 0.00 0.00 44.72 44.29 2vul s GLY 81 CO -0.03 2.06 -0.11 -0.98 0.00 0.00 0.00 173.10 174.04 2vul s TRP 82 N -2.17 1.10 0.27 1.90 0.52 -0.87 -0.55 118.94 119.15 2vul s TRP 82 Ca 0.21 -0.57 0.07 0.00 0.02 0.00 0.00 56.10 55.83 2vul s TRP 82 Cb -0.03 -0.61 -0.06 0.00 -1.15 0.00 0.00 33.47 31.62 2vul s TRP 82 CO 0.06 0.03 -0.07 0.95 0.02 0.00 0.00 176.95 177.94 2vul s THR 83 N -1.96 1.68 0.16 2.01 -4.23 -0.52 -0.44 115.64 112.34 2vul s THR 83 Ca 0.02 -2.14 0.10 0.00 -1.18 0.00 0.00 61.69 58.49 2vul s THR 83 Cb -0.06 -2.42 -0.04 0.00 1.34 0.00 0.00 72.50 71.32 2vul s THR 83 CO 0.01 -0.32 -0.22 0.42 -0.54 0.00 0.00 174.62 173.97 2vul s THR 84 N -2.99 2.06 -0.82 3.99 -4.23 -0.33 -1.64 115.64 111.68 2vul s THR 84 Ca 0.29 -1.88 -0.00 0.00 -1.18 0.00 0.00 61.69 58.91 2vul s THR 84 Cb 0.03 -1.93 0.00 0.00 1.34 0.00 0.00 72.50 71.95 2vul s THR 84 CO 0.12 -0.15 0.62 -3.20 -0.54 0.00 0.00 174.62 171.46 2vul n ASN 85 N 0.48 -5.23 -4.84 3.99 5.15 -1.26 -0.54 115.26 113.02 2vul n ASN 85 Ca -0.14 -0.86 -0.32 0.00 -0.60 0.00 0.00 54.58 52.66 2vul n ASN 85 Cb 0.56 -2.15 -0.05 0.00 -0.53 0.00 0.00 39.78 37.61 2vul n ASN 85 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2vul s PRO 86 N -4.71 4.06 -0.22 1.20 0.04 -1.26 -4.28 135.00 129.82 2vul s PRO 86 Ca 0.00 0.98 -0.29 0.00 0.04 0.00 0.00 61.00 61.73 2vul s PRO 86 Cb -0.00 -2.19 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 2vul s PRO 86 CO 0.88 -0.12 1.77 -1.17 0.04 0.00 0.00 177.00 178.39 2vul s LEU 87 N -3.60 3.79 -0.01 -3.56 2.96 -1.26 -4.17 118.68 112.83 2vul s LEU 87 Ca 0.59 1.67 0.01 0.00 -0.22 0.00 0.00 54.13 56.19 2vul s LEU 87 Cb -0.10 -3.53 0.01 0.00 0.50 0.00 0.00 46.19 43.07 2vul s LEU 87 CO 0.22 -1.44 -0.03 -0.69 -1.32 0.00 0.00 176.35 173.10 2vul s VAL 88 N 5.92 0.30 -0.24 1.68 1.01 -0.65 -4.08 120.40 124.34 2vul s VAL 88 Ca 0.79 -0.10 -0.07 0.00 0.00 0.00 0.00 61.98 62.60 2vul s VAL 88 Cb -0.27 -0.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.78 2vul s VAL 88 CO 0.32 0.12 0.07 -0.70 0.00 0.00 0.00 175.10 174.91 2vul s GLU 89 N 0.30 3.72 0.22 2.72 2.12 -1.05 -1.44 118.70 125.28 2vul s GLU 89 Ca -0.03 -0.45 0.11 0.00 0.36 0.00 0.00 54.97 54.96 2vul s GLU 89 Cb -0.06 -3.31 -0.05 0.00 0.26 0.00 0.00 34.13 30.98 2vul s GLU 89 CO -0.01 -0.10 -0.19 1.52 -0.54 0.00 0.00 175.26 175.94 2vul s TYR 90 N 1.39 2.38 -0.05 5.30 -0.85 0.29 -1.74 117.35 124.07 2vul s TYR 90 Ca 0.05 -0.32 -0.04 0.00 -0.52 0.00 0.00 57.07 56.25 2vul s TYR 90 Cb -0.15 -1.13 0.02 0.00 0.38 0.00 0.00 41.96 41.08 2vul s TYR 90 CO 0.04 0.57 0.12 0.71 -1.52 0.00 0.00 175.55 175.46 2vul s TYR 91 N -1.93 -0.13 -0.35 -3.49 2.02 -0.16 -1.85 117.35 111.45 2vul s TYR 91 Ca 0.25 0.35 0.03 0.00 -0.37 0.00 0.00 57.07 57.32 2vul s TYR 91 Cb -0.07 0.00 0.10 0.00 -0.40 0.00 0.00 41.96 41.59 2vul s TYR 91 CO 0.13 -0.09 0.07 0.08 -1.57 0.00 0.00 175.55 174.17 2vul s VAL 92 N 0.36 2.46 -0.23 0.71 1.01 0.11 -1.01 120.40 123.82 2vul s VAL 92 Ca -0.02 -2.28 -0.17 0.00 0.00 0.00 0.00 61.98 59.50 2vul s VAL 92 Cb -0.04 -2.78 -0.03 0.00 0.00 0.00 0.00 36.38 33.53 2vul s VAL 92 CO -0.01 -0.60 0.47 -0.69 0.00 0.00 0.00 175.10 174.27 2vul s VAL 93 N 0.95 5.12 -0.15 2.92 1.01 0.81 -0.83 120.40 130.23 2vul s VAL 93 Ca 0.10 0.83 0.15 0.00 0.00 0.00 0.00 61.98 63.06 2vul s VAL 93 Cb -0.20 -3.80 -0.21 0.00 0.00 0.00 0.00 36.38 32.18 2vul s VAL 93 CO -0.07 0.17 0.09 0.47 0.00 0.00 0.00 175.10 175.76 2vul n ASP 94 N 4.99 0.97 -3.88 3.32 9.92 -0.34 -1.08 116.55 130.45 2vul n ASP 94 Ca -0.06 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.11 2vul n ASP 94 Cb 0.50 1.01 -0.07 0.00 -0.64 0.00 0.00 41.12 41.92 2vul n ASP 94 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 2vul s SER 95 N -4.90 0.10 0.24 -2.24 0.15 -1.06 -0.19 113.70 105.80 2vul s SER 95 Ca -0.08 -0.70 -0.09 0.00 0.70 0.00 0.00 55.95 55.78 2vul s SER 95 Cb 0.06 0.36 -0.01 0.00 -1.71 0.00 0.00 66.02 64.71 2vul s SER 95 CO 0.68 -0.76 0.39 -1.66 1.20 0.00 0.00 173.24 173.09 2vul s TRP 96 N -3.88 0.59 0.00 3.44 -2.14 -1.26 -1.00 118.94 114.68 2vul s TRP 96 Ca 0.08 -0.91 0.00 0.00 2.66 0.00 0.00 56.10 57.92 2vul s TRP 96 Cb 0.05 -0.00 0.00 0.00 -3.10 0.00 0.00 33.47 30.41 2vul s TRP 96 CO -0.09 -0.92 0.00 0.41 -2.66 0.00 0.00 176.95 173.70 2vul n GLY 97 N -0.36 0.64 0.23 3.67 0.00 0.08 -4.93 105.19 104.51 2vul n GLY 97 Ca -0.01 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 2vul n GLY 97 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2vul h SER 98 N 0.00 0.59 -3.22 1.61 0.02 -1.29 -3.44 113.55 107.82 2vul h SER 98 Ca 0.00 -0.25 -0.63 0.00 -0.84 0.00 0.00 61.79 60.08 2vul h SER 98 Cb 0.00 -0.16 -0.34 0.00 0.14 0.00 0.00 62.40 62.03 2vul h SER 98 CO 0.00 0.91 -0.85 0.26 -1.14 0.00 0.00 176.83 176.01 2vul s TRP 99 N -4.31 2.29 -0.21 3.45 0.52 -1.26 -5.05 118.94 114.37 2vul s TRP 99 Ca -0.07 -1.14 -0.29 0.00 0.02 0.00 0.00 56.10 54.62 2vul s TRP 99 Cb 0.13 -1.61 0.00 0.00 -1.15 0.00 0.00 33.47 30.84 2vul s TRP 99 CO 0.82 -0.56 1.09 0.50 0.02 0.00 0.00 176.95 178.82 2vul s ARG 100 N 0.96 4.25 0.69 4.98 3.52 -1.26 -4.83 118.95 127.27 2vul s ARG 100 Ca -0.06 1.43 -0.11 0.00 -0.13 0.00 0.00 55.73 56.86 2vul s ARG 100 Cb -0.15 -3.67 0.01 0.00 -1.56 0.00 0.00 34.95 29.58 2vul s ARG 100 CO -0.03 -0.65 1.08 -1.25 -0.81 0.00 0.00 175.30 173.65 2vul s PRO 101 N 3.26 2.91 0.00 5.12 0.04 -1.26 -3.59 135.00 141.48 2vul s PRO 101 Ca 0.47 0.45 0.27 0.00 0.04 0.00 0.00 61.00 62.23 2vul s PRO 101 Cb -0.17 -2.04 0.82 0.00 0.04 0.00 0.00 34.50 33.15 2vul s PRO 101 CO 0.08 -0.99 1.60 -0.35 0.04 0.00 0.00 177.00 177.39 2vul n PRO 102 N -2.97 0.96 0.00 0.56 -0.04 -1.26 -4.93 135.00 127.32 2vul n PRO 102 Ca 0.07 -0.55 0.00 0.00 -0.04 0.00 0.00 63.50 62.97 2vul n PRO 102 Cb 0.57 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 2vul n PRO 102 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2vul n GLY 103 N 1.31 -1.77 0.16 0.55 0.00 -1.24 -4.43 105.19 99.78 2vul n GLY 103 Ca 0.13 -1.58 0.13 0.00 0.00 0.00 0.00 46.02 44.70 2vul n GLY 103 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2vul h SER 104 N 0.00 0.00 0.70 1.61 4.64 -1.99 -1.90 113.55 116.60 2vul h SER 104 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2vul h SER 104 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2vul h SER 104 CO 0.00 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.43 2vul n ASP 105 N -2.41 0.00 -4.76 4.97 9.92 -1.26 -4.81 116.55 118.19 2vul n ASP 105 Ca 0.02 0.08 -0.40 0.00 -0.53 0.00 0.00 54.79 53.96 2vul n ASP 105 Cb 0.25 -0.36 -0.06 0.00 -0.64 0.00 0.00 41.12 40.32 2vul n ASP 105 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 2vul s GLY 106 N -2.71 2.97 -0.37 0.44 0.00 -0.72 -4.58 107.32 102.34 2vul s GLY 106 Ca 0.23 0.44 -0.19 0.00 0.00 0.00 0.00 44.72 45.20 2vul s GLY 106 CO 0.47 1.00 0.56 -1.59 0.00 0.00 0.00 173.10 173.55 2vul s THR 107 N -1.01 4.95 0.13 0.90 2.01 0.11 -4.92 115.64 117.82 2vul s THR 107 Ca 0.38 0.30 -0.31 0.00 0.31 0.00 0.00 61.69 62.38 2vul s THR 107 Cb -0.24 -4.05 -0.08 0.00 0.01 0.00 0.00 72.50 68.15 2vul s THR 107 CO 0.28 -0.33 1.33 0.12 -0.69 0.00 0.00 174.62 175.32 2vul s PHE 108 N 2.54 3.29 0.00 4.92 5.36 -1.26 -1.42 117.98 131.41 2vul s PHE 108 Ca 0.20 1.10 0.00 0.00 -0.96 0.00 0.00 56.93 57.27 2vul s PHE 108 Cb -0.15 -3.61 0.00 0.00 -0.34 0.00 0.00 43.02 38.92 2vul s PHE 108 CO 0.15 -2.02 0.00 1.28 -1.46 0.00 0.00 175.22 173.17 2vul n LEU 109 N 3.53 0.00 0.00 6.12 4.77 0.29 -4.98 117.00 126.74 2vul n LEU 109 Ca 0.09 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 2vul n LEU 109 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 2vul n LEU 109 CO 0.58 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 2vul n GLY 110 N 0.99 0.67 3.25 -0.72 0.00 -1.23 -4.98 105.19 103.18 2vul n GLY 110 Ca 0.00 -1.75 -0.14 0.00 0.00 0.00 0.00 46.02 44.13 2vul n GLY 110 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2vul s THR 111 N -2.82 1.16 -0.01 2.61 -4.23 -1.26 -0.30 115.64 110.78 2vul s THR 111 Ca 0.00 -2.06 0.01 0.00 -1.18 0.00 0.00 61.69 58.46 2vul s THR 111 Cb 0.00 -1.87 0.01 0.00 1.34 0.00 0.00 72.50 71.98 2vul s THR 111 CO 0.00 -0.73 -0.03 0.54 -0.54 0.00 0.00 174.62 173.87 2vul s VAL 112 N -3.34 0.28 -0.11 2.29 0.11 -0.67 -4.96 120.40 114.00 2vul s VAL 112 Ca 0.17 -0.09 -0.18 0.00 -2.93 0.00 0.00 61.98 58.95 2vul s VAL 112 Cb 0.03 -0.28 -0.04 0.00 -1.53 0.00 0.00 36.38 34.56 2vul s VAL 112 CO 0.01 0.11 0.48 0.20 -3.33 0.00 0.00 175.10 172.57 2vul s ASN 113 N 0.30 6.69 -0.20 3.54 0.01 -1.26 -0.55 114.94 123.47 2vul s ASN 113 Ca -0.03 0.83 -0.23 0.00 -0.71 0.00 0.00 52.86 52.72 2vul s ASN 113 Cb -0.06 -2.29 0.06 0.00 0.41 0.00 0.00 41.25 39.38 2vul s ASN 113 CO -0.01 0.01 0.63 -0.55 -1.51 0.00 0.00 177.10 175.68 2vul s SER 114 N 0.55 -0.65 -1.41 -1.22 0.15 -0.49 -4.99 113.70 105.63 2vul s SER 114 Ca 0.26 1.15 -0.07 0.00 0.70 0.00 0.00 55.95 57.99 2vul s SER 114 Cb -0.15 1.14 0.04 0.00 -1.71 0.00 0.00 66.02 65.34 2vul s SER 114 CO 0.11 -0.29 0.86 0.47 1.20 0.00 0.00 173.24 175.59 2vul n ASP 115 N 2.38 -3.15 0.00 5.45 8.00 -1.26 -0.82 116.55 127.14 2vul n ASP 115 Ca -0.15 -0.78 0.00 0.00 0.71 0.00 0.00 54.79 54.57 2vul n ASP 115 Cb 0.56 -4.06 0.00 0.00 -0.02 0.00 0.00 41.12 37.60 2vul n ASP 115 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2vul n GLY 116 N -1.65 0.18 3.57 0.44 0.00 -1.26 -4.92 105.19 101.54 2vul n GLY 116 Ca -0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.63 2vul n GLY 116 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2vul s GLY 117 N -2.00 2.49 -0.07 -0.02 0.00 -0.00 -5.15 107.32 102.57 2vul s GLY 117 Ca 0.00 -1.60 0.05 0.00 0.00 0.00 0.00 44.72 43.17 2vul s GLY 117 CO 0.00 -1.96 -0.23 -1.59 0.00 0.00 0.00 173.10 169.32 2vul s THR 118 N -3.05 1.91 -0.06 0.90 2.01 -1.26 -1.40 115.64 114.68 2vul s THR 118 Ca 0.27 -0.97 0.06 0.00 0.31 0.00 0.00 61.69 61.36 2vul s THR 118 Cb 0.06 -1.63 -0.01 0.00 0.01 0.00 0.00 72.50 70.93 2vul s THR 118 CO 0.13 0.53 -0.24 -0.31 -0.69 0.00 0.00 174.62 174.05 2vul s TYR 119 N 0.03 2.48 0.08 4.92 2.02 0.29 -0.49 117.35 126.68 2vul s TYR 119 Ca -0.08 -0.70 -0.27 0.00 -0.37 0.00 0.00 57.07 55.65 2vul s TYR 119 Cb -0.14 -1.62 -0.06 0.00 -0.40 0.00 0.00 41.96 39.74 2vul s TYR 119 CO 0.05 -0.20 0.83 -0.51 -1.57 0.00 0.00 175.55 174.15 2vul s ASP 120 N -0.14 7.33 -0.17 2.29 1.01 0.09 -1.67 116.67 125.41 2vul s ASP 120 Ca -0.04 1.58 -0.07 0.00 0.71 0.00 0.00 52.55 54.74 2vul s ASP 120 Cb -0.14 -2.51 -0.04 0.00 1.01 0.00 0.00 42.92 41.24 2vul s ASP 120 CO 0.04 0.00 0.05 -0.63 0.21 0.00 0.00 175.17 174.84 2vul s ILE 121 N -0.13 4.71 0.04 0.77 1.01 0.59 -0.63 121.20 127.56 2vul s ILE 121 Ca 0.41 -0.07 0.02 0.00 0.00 0.00 0.00 60.65 61.01 2vul s ILE 121 Cb -0.22 -3.10 -0.02 0.00 0.01 0.00 0.00 42.46 39.13 2vul s ILE 121 CO 0.26 0.48 -0.07 -0.31 0.00 0.00 0.00 174.94 175.30 2vul s TYR 122 N 0.20 0.59 -0.13 3.97 2.02 -0.05 -0.54 117.35 123.42 2vul s TYR 122 Ca 0.04 -0.50 -0.06 0.00 -0.37 0.00 0.00 57.07 56.18 2vul s TYR 122 Cb -0.12 -0.36 -0.04 0.00 -0.40 0.00 0.00 41.96 41.04 2vul s TYR 122 CO 0.01 -0.10 0.09 0.50 -1.57 0.00 0.00 175.55 174.47 2vul s ARG 123 N -1.54 3.46 0.11 -0.62 3.52 -0.51 -0.96 118.95 122.41 2vul s ARG 123 Ca -0.11 -0.25 0.02 0.00 -0.13 0.00 0.00 55.73 55.26 2vul s ARG 123 Cb -0.10 -3.10 -0.04 0.00 -1.56 0.00 0.00 34.95 30.15 2vul s ARG 123 CO 0.00 0.64 -0.06 0.00 -0.81 0.00 0.00 175.30 175.07 2vul s ALA 124 N -0.65 1.07 -0.04 6.12 0.00 -0.84 0.09 121.76 127.52 2vul s ALA 124 Ca 0.12 -1.40 0.07 0.00 0.00 0.00 0.00 51.96 50.75 2vul s ALA 124 Cb -0.12 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.20 2vul s ALA 124 CO 0.02 -0.24 -0.24 -1.14 0.00 0.00 0.00 175.76 174.17 2vul s GLN 125 N -3.84 2.35 -0.08 0.00 0.74 -1.26 -0.05 119.66 117.51 2vul s GLN 125 Ca 0.14 -0.88 0.01 0.00 0.05 0.00 0.00 55.36 54.68 2vul s GLN 125 Cb 0.05 -2.15 -0.03 0.00 1.10 0.00 0.00 33.01 31.99 2vul s GLN 125 CO -0.03 0.50 -0.08 1.03 -0.55 0.00 0.00 175.29 176.16 2vul s ARG 126 N -0.46 2.87 -0.20 1.67 1.81 -0.23 -4.96 118.95 119.46 2vul s ARG 126 Ca 0.05 -0.58 -0.03 0.00 -1.72 0.00 0.00 55.73 53.45 2vul s ARG 126 Cb -0.11 -2.59 -0.01 0.00 -0.45 0.00 0.00 34.95 31.78 2vul s ARG 126 CO 0.01 0.57 -0.07 0.08 -0.68 0.00 0.00 175.30 175.21 2vul s VAL 127 N -0.55 3.28 -1.31 3.52 1.01 -1.26 -1.81 120.40 123.27 2vul s VAL 127 Ca 0.08 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 2vul s VAL 127 Cb -0.12 -2.47 -0.00 0.00 0.00 0.00 0.00 36.38 33.80 2vul s VAL 127 CO 0.02 0.45 0.65 -3.20 0.00 0.00 0.00 175.10 173.02 2vul n ASN 128 N 4.51 -1.35 -4.66 3.32 5.15 -0.98 -4.93 115.26 116.32 2vul n ASN 128 Ca -0.18 -0.87 -0.25 0.00 -0.60 0.00 0.00 54.58 52.68 2vul n ASN 128 Cb 0.51 -3.85 -0.07 0.00 -0.53 0.00 0.00 39.78 35.84 2vul n ASN 128 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2vul s ALA 129 N -3.71 3.19 0.45 5.20 0.00 0.18 -4.65 121.76 122.42 2vul s ALA 129 Ca 0.04 -1.49 -0.25 0.00 0.00 0.00 0.00 51.96 50.26 2vul s ALA 129 Cb -0.01 -0.91 -0.08 0.00 0.00 0.00 0.00 23.12 22.12 2vul s ALA 129 CO 0.83 0.38 1.39 -2.14 0.00 0.00 0.00 175.76 176.21 2vul s PRO 130 N -3.29 3.69 0.29 0.00 0.02 -1.26 -0.72 135.00 133.73 2vul s PRO 130 Ca 0.29 2.33 -0.06 0.00 0.02 0.00 0.00 61.00 63.58 2vul s PRO 130 Cb -0.08 -2.63 -0.00 0.00 0.02 0.00 0.00 34.50 31.80 2vul s PRO 130 CO 0.19 -0.78 0.43 -1.54 -0.33 0.00 0.00 177.00 174.98 2vul s SER 131 N -0.63 0.48 0.00 2.53 1.04 -1.11 -4.82 113.70 111.19 2vul s SER 131 Ca 0.61 -1.29 0.15 0.00 0.48 0.00 0.00 55.95 55.90 2vul s SER 131 Cb -0.42 0.60 0.68 0.00 0.10 0.00 0.00 66.02 66.98 2vul s SER 131 CO 0.53 -1.19 1.44 2.30 0.98 0.00 0.00 173.24 177.31 2vul n ILE 132 N -0.47 0.82 -0.06 -1.02 -5.35 -1.26 -1.93 119.36 110.09 2vul n ILE 132 Ca 0.00 0.20 0.06 0.00 -0.27 0.00 0.00 62.75 62.74 2vul n ILE 132 Cb 0.62 -0.96 0.13 0.00 -1.74 0.00 0.00 39.64 37.70 2vul n ILE 132 CO 0.00 0.00 0.00 2.30 -1.76 0.00 0.00 176.55 177.09 2vul n ILE 133 N -1.41 0.83 0.00 7.28 -5.35 -1.26 -5.11 119.36 114.34 2vul n ILE 133 Ca 0.05 -0.91 0.00 0.00 -0.27 0.00 0.00 62.75 61.62 2vul n ILE 133 Cb 0.15 0.63 0.00 0.00 -1.74 0.00 0.00 39.64 38.68 2vul n ILE 133 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2vul n GLY 134 N 0.52 0.80 3.68 3.28 0.00 -0.81 -5.00 105.19 107.66 2vul n GLY 134 Ca 0.11 -2.16 -0.45 0.00 0.00 0.00 0.00 46.02 43.52 2vul n GLY 134 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2vul n ASN 135 N 0.00 3.22 -3.61 1.61 4.13 -1.26 -2.75 115.26 116.60 2vul n ASN 135 Ca 0.00 1.10 -0.11 0.00 1.68 0.00 0.00 54.58 57.25 2vul n ASN 135 Cb 0.00 -1.47 -0.04 0.00 -1.54 0.00 0.00 39.78 36.73 2vul n ASN 135 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2vul s ALA 136 N 0.61 -1.03 -0.21 5.41 0.00 0.10 -4.84 121.76 121.80 2vul s ALA 136 Ca 0.74 0.07 -0.07 0.00 0.00 0.00 0.00 51.96 52.70 2vul s ALA 136 Cb -0.63 0.68 -0.03 0.00 0.00 0.00 0.00 23.12 23.14 2vul s ALA 136 CO 0.41 -0.64 0.05 0.99 0.00 0.00 0.00 175.76 176.58 2vul s THR 137 N -3.65 4.46 0.23 0.00 2.01 -1.26 -0.65 115.64 116.78 2vul s THR 137 Ca 0.02 -0.14 -0.19 0.00 0.31 0.00 0.00 61.69 61.69 2vul s THR 137 Cb 0.01 -3.04 0.03 0.00 0.01 0.00 0.00 72.50 69.51 2vul s THR 137 CO -0.11 0.40 0.62 0.72 -0.69 0.00 0.00 174.62 175.57 2vul s PHE 138 N 0.96 -0.17 0.23 4.92 -0.12 -0.75 -4.98 117.98 118.08 2vul s PHE 138 Ca 0.03 -0.21 -0.10 0.00 -0.05 0.00 0.00 56.93 56.60 2vul s PHE 138 Cb -0.14 0.54 -0.07 0.00 -0.63 0.00 0.00 43.02 42.72 2vul s PHE 138 CO 0.03 -1.06 0.56 0.71 -0.05 0.00 0.00 175.22 175.41 2vul s TYR 139 N -3.89 3.43 -0.03 3.49 2.02 -1.26 -1.06 117.35 120.05 2vul s TYR 139 Ca 0.10 0.92 0.03 0.00 -0.37 0.00 0.00 57.07 57.74 2vul s TYR 139 Cb -0.03 -2.29 -0.03 0.00 -0.40 0.00 0.00 41.96 39.21 2vul s TYR 139 CO 0.01 0.27 -0.09 -0.65 -1.57 0.00 0.00 175.55 173.52 2vul s GLN 140 N -2.76 2.58 -0.19 -0.62 -0.21 0.92 -2.54 119.66 116.83 2vul s GLN 140 Ca 0.47 -0.67 -0.07 0.00 0.02 0.00 0.00 55.36 55.12 2vul s GLN 140 Cb -0.11 -2.48 -0.04 0.00 1.00 0.00 0.00 33.01 31.38 2vul s GLN 140 CO 0.21 0.63 0.05 0.71 -2.12 0.00 0.00 175.29 174.76 2vul s TYR 141 N -0.86 3.18 -0.07 0.91 2.02 -0.71 -1.98 117.35 119.83 2vul s TYR 141 Ca 0.14 -0.09 0.04 0.00 -0.37 0.00 0.00 57.07 56.78 2vul s TYR 141 Cb -0.11 -2.10 0.00 0.00 -0.40 0.00 0.00 41.96 39.35 2vul s TYR 141 CO 0.03 0.00 -0.19 -1.58 -1.57 0.00 0.00 175.55 172.25 2vul s TRP 142 N 0.67 2.02 -0.18 2.71 0.52 -0.13 -0.99 118.94 123.56 2vul s TRP 142 Ca 0.03 -0.74 -0.02 0.00 0.02 0.00 0.00 56.10 55.38 2vul s TRP 142 Cb -0.13 -1.38 -0.01 0.00 -1.15 0.00 0.00 33.47 30.80 2vul s TRP 142 CO 0.02 -0.31 -0.09 -1.12 0.02 0.00 0.00 176.95 175.47 2vul s SER 143 N 0.35 4.09 -0.21 2.95 0.01 -0.18 -0.87 113.70 119.84 2vul s SER 143 Ca -0.13 -0.39 0.01 0.00 1.31 0.00 0.00 55.95 56.75 2vul s SER 143 Cb -0.16 -1.67 0.04 0.00 0.21 0.00 0.00 66.02 64.45 2vul s SER 143 CO 0.06 0.05 -0.12 -0.69 0.41 0.00 0.00 173.24 172.94 2vul s VAL 144 N 1.05 1.86 0.35 3.43 1.01 0.20 -0.14 120.40 128.16 2vul s VAL 144 Ca 0.00 -1.17 -0.27 0.00 0.00 0.00 0.00 61.98 60.54 2vul s VAL 144 Cb -0.15 -1.89 -0.12 0.00 0.00 0.00 0.00 36.38 34.22 2vul s VAL 144 CO -0.01 0.18 1.20 -1.14 0.00 0.00 0.00 175.10 175.33 2vul n ARG 145 N 4.60 1.87 0.18 2.72 0.63 -0.24 -0.73 116.66 125.70 2vul n ARG 145 Ca -0.16 0.66 0.06 0.00 -0.92 0.00 0.00 57.85 57.49 2vul n ARG 145 Cb 0.46 -2.22 0.25 0.00 0.45 0.00 0.00 32.46 31.41 2vul n ARG 145 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 2vul h GLN 146 N 2.26 0.00 -5.79 -0.14 4.20 -1.13 -3.44 115.11 111.06 2vul h GLN 146 Ca -0.45 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 57.73 2vul h GLN 146 Cb 1.30 0.00 -0.26 0.00 0.30 0.00 0.00 27.48 28.82 2vul h GLN 146 CO 0.61 0.38 -0.83 -1.12 -0.67 0.00 0.00 178.83 177.21 2vul s SER 147 N -6.39 2.17 0.31 1.46 0.01 -1.26 -5.10 113.70 104.90 2vul s SER 147 Ca 0.02 -0.47 -0.27 0.00 1.31 0.00 0.00 55.95 56.53 2vul s SER 147 Cb 0.10 -0.18 -0.10 0.00 0.21 0.00 0.00 66.02 66.05 2vul s SER 147 CO 0.70 0.13 0.97 -0.54 0.41 0.00 0.00 173.24 174.91 2vul s LYS 148 N -1.07 4.59 0.09 12.44 1.02 -1.26 -4.91 119.74 130.64 2vul s LYS 148 Ca 0.06 1.43 -0.16 0.00 0.02 0.00 0.00 55.97 57.32 2vul s LYS 148 Cb -0.08 -2.90 0.03 0.00 -0.52 0.00 0.00 37.83 34.36 2vul s LYS 148 CO 0.01 0.27 0.37 -0.98 -0.92 0.00 0.00 175.35 174.10 2vul s ARG 149 N -1.88 0.98 -0.43 1.68 1.70 0.73 -4.99 118.95 116.74 2vul s ARG 149 Ca 0.49 -0.61 0.02 0.00 -0.47 0.00 0.00 55.73 55.16 2vul s ARG 149 Cb -0.22 0.43 0.13 0.00 -0.57 0.00 0.00 34.95 34.72 2vul s ARG 149 CO 0.28 -0.36 0.21 0.08 -1.08 0.00 0.00 175.30 174.43 2vul s VAL 150 N -3.30 1.68 0.00 4.99 1.01 -1.26 -3.67 120.40 119.85 2vul s VAL 150 Ca -0.00 -2.57 0.00 0.00 0.00 0.00 0.00 61.98 59.41 2vul s VAL 150 Cb 0.01 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.20 2vul s VAL 150 CO -0.08 -0.82 0.00 0.61 0.00 0.00 0.00 175.10 174.81 2vul n GLY 151 N 3.67 4.16 0.00 4.51 0.00 -1.26 -4.45 105.19 111.82 2vul n GLY 151 Ca 0.06 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 44.98 2vul n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2vul n GLY 152 N -0.38 0.10 3.64 -0.02 0.00 -0.30 -5.00 105.19 103.23 2vul n GLY 152 Ca 0.00 -1.45 -0.31 0.00 0.00 0.00 0.00 46.02 44.26 2vul n GLY 152 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vul s THR 153 N -2.97 3.83 -0.25 2.61 2.01 -1.26 -1.22 115.64 118.40 2vul s THR 153 Ca 0.00 -0.85 0.02 0.00 0.31 0.00 0.00 61.69 61.17 2vul s THR 153 Cb 0.00 -2.74 0.05 0.00 0.01 0.00 0.00 72.50 69.82 2vul s THR 153 CO 0.00 0.28 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.47 2vul s ILE 154 N -1.13 2.28 -1.08 1.82 1.01 0.23 -4.78 121.20 119.55 2vul s ILE 154 Ca 0.20 -1.41 -0.18 0.00 0.00 0.00 0.00 60.65 59.26 2vul s ILE 154 Cb -0.11 -2.24 0.12 0.00 0.01 0.00 0.00 42.46 40.23 2vul s ILE 154 CO 0.12 0.11 1.37 -0.89 0.00 0.00 0.00 174.94 175.64 2vul s THR 155 N 1.17 4.57 0.34 2.92 2.01 -1.26 -1.25 115.64 124.14 2vul s THR 155 Ca -0.05 -1.77 0.02 0.00 0.31 0.00 0.00 61.69 60.20 2vul s THR 155 Cb -0.18 -4.93 0.27 0.00 0.01 0.00 0.00 72.50 67.66 2vul s THR 155 CO -0.06 -1.70 1.99 0.71 -0.69 0.00 0.00 174.62 174.86 2vul h THR 156 N 5.65 1.14 -0.64 -0.82 1.35 -1.82 -0.51 112.91 117.25 2vul h THR 156 Ca 0.25 -0.31 0.07 0.00 -0.55 0.00 0.00 66.41 65.88 2vul h THR 156 Cb 0.96 0.17 -0.04 0.00 -1.73 0.00 0.00 68.15 67.50 2vul h THR 156 CO 1.26 0.16 0.43 1.23 -0.25 0.00 0.00 175.52 178.35 2vul h GLY 157 N 0.89 0.77 0.99 5.82 0.00 -1.82 -0.71 103.07 109.02 2vul h GLY 157 Ca 0.27 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 2vul h GLY 157 CO -0.07 0.17 0.33 3.43 0.00 0.00 0.00 176.54 180.40 2vul h ASN 158 N 0.59 0.74 0.02 0.19 2.35 -1.48 -1.05 115.58 116.94 2vul h ASN 158 Ca 0.28 -0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.94 2vul h ASN 158 Cb 0.35 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.53 2vul h ASN 158 CO -0.09 0.62 -0.01 0.45 -1.65 0.00 0.00 177.43 176.75 2vul h HIS 159 N 0.80 -0.03 -0.72 1.19 3.86 -1.29 -1.37 115.15 117.61 2vul h HIS 159 Ca 0.21 -0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.48 2vul h HIS 159 Cb 0.04 0.01 -0.06 0.00 1.06 0.00 0.00 27.41 28.46 2vul h HIS 159 CO -0.01 0.26 0.42 0.74 0.86 0.00 0.00 177.93 180.19 2vul h PHE 160 N -0.31 0.77 -0.36 2.45 0.04 -1.08 0.14 116.94 118.60 2vul h PHE 160 Ca -0.00 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.76 2vul h PHE 160 Cb 0.29 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.19 2vul h PHE 160 CO 0.02 0.38 0.08 -0.44 -0.60 0.00 0.00 178.31 177.75 2vul h ASP 161 N 0.77 0.55 -0.55 2.17 3.32 -1.21 -0.03 116.42 121.44 2vul h ASP 161 Ca 0.32 -0.24 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 2vul h ASP 161 Cb 0.17 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 2vul h ASP 161 CO -0.17 0.65 0.29 0.00 -1.72 0.00 0.00 179.24 178.28 2vul h ALA 162 N 0.93 0.71 -0.35 3.45 0.00 -0.77 -2.04 119.26 121.18 2vul h ALA 162 Ca 0.11 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.93 2vul h ALA 162 Cb 0.31 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2vul h ALA 162 CO 0.00 0.25 0.20 -1.49 0.00 0.00 0.00 179.25 178.20 2vul h TRP 163 N 0.74 0.37 -0.79 0.00 6.55 -0.63 -2.63 115.95 119.57 2vul h TRP 163 Ca 0.19 0.01 0.05 0.00 0.95 0.00 0.00 58.89 60.09 2vul h TRP 163 Cb 0.08 -0.12 -0.05 0.00 -0.86 0.00 0.00 29.16 28.22 2vul h TRP 163 CO -0.01 0.21 0.52 0.00 -1.05 0.00 0.00 178.44 178.11 2vul h ALA 164 N 1.16 1.57 0.00 1.49 0.00 -0.80 0.59 119.26 123.27 2vul h ALA 164 Ca 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2vul h ALA 164 Cb 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.55 2vul h ALA 164 CO -0.07 0.34 0.00 0.66 0.00 0.00 0.00 179.25 180.17 2vul h SER 165 N 0.92 0.00 -0.21 0.00 4.64 -0.99 -2.47 113.55 115.45 2vul h SER 165 Ca 0.32 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.57 2vul h SER 165 Cb 0.12 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.16 2vul h SER 165 CO -0.10 0.00 -0.12 1.33 -0.87 0.00 0.00 176.83 177.07 2vul n VAL 166 N -2.48 2.32 -0.82 0.95 0.24 -0.75 -4.98 118.33 112.80 2vul n VAL 166 Ca 0.01 -2.56 0.00 0.00 -2.04 0.00 0.00 64.34 59.76 2vul n VAL 166 Cb 0.23 -0.28 0.00 0.00 -1.47 0.00 0.00 33.84 32.33 2vul n VAL 166 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2vul n GLY 167 N -1.04 0.77 3.44 7.63 0.00 -0.93 -4.96 105.19 110.10 2vul n GLY 167 Ca 0.25 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.83 2vul n GLY 167 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2vul s LEU 168 N 0.00 5.24 -0.06 0.99 1.43 0.12 -4.98 118.68 121.43 2vul s LEU 168 Ca 0.00 -2.90 -0.12 0.00 -1.03 0.00 0.00 54.13 50.08 2vul s LEU 168 Cb 0.00 -2.37 -0.05 0.00 0.03 0.00 0.00 46.19 43.80 2vul s LEU 168 CO 0.00 -0.74 0.31 0.20 0.23 0.00 0.00 176.35 176.35 2vul s ASN 169 N 2.78 6.63 0.44 2.29 -0.87 -1.26 -2.95 114.94 122.00 2vul s ASN 169 Ca 0.39 0.75 -0.10 0.00 -1.57 0.00 0.00 52.86 52.33 2vul s ASN 169 Cb -0.04 -2.19 -0.06 0.00 -0.02 0.00 0.00 41.25 38.94 2vul s ASN 169 CO -0.03 0.31 0.81 -0.76 -2.57 0.00 0.00 177.10 174.86 2vul s LEU 170 N -0.82 3.76 0.00 0.60 1.43 -1.26 -4.87 118.68 117.52 2vul s LEU 170 Ca 0.20 1.17 0.00 0.00 -1.03 0.00 0.00 54.13 54.47 2vul s LEU 170 Cb -0.15 -4.07 0.00 0.00 0.03 0.00 0.00 46.19 42.00 2vul s LEU 170 CO 0.09 -0.46 0.00 0.61 0.23 0.00 0.00 176.35 176.82 2vul n GLY 171 N -1.51 1.17 3.69 -3.19 0.00 -1.26 -4.76 105.19 99.33 2vul n GLY 171 Ca 0.03 -1.86 -0.42 0.00 0.00 0.00 0.00 46.02 43.77 2vul n GLY 171 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vul s THR 172 N 1.52 3.87 0.24 2.61 2.01 0.30 -4.75 115.64 121.43 2vul s THR 172 Ca 0.00 1.24 -0.31 0.00 0.31 0.00 0.00 61.69 62.93 2vul s THR 172 Cb 0.00 -3.80 -0.11 0.00 0.01 0.00 0.00 72.50 68.60 2vul s THR 172 CO 0.00 0.00 1.57 -1.00 -0.69 0.00 0.00 174.62 174.50 2vul s HIS 173 N 2.29 2.90 0.00 4.92 3.76 -1.26 -1.18 115.29 126.72 2vul s HIS 173 Ca 0.61 0.74 0.00 0.00 -0.15 0.00 0.00 55.06 56.27 2vul s HIS 173 Cb -0.29 -3.99 0.00 0.00 1.11 0.00 0.00 32.58 29.41 2vul s HIS 173 CO 0.25 -3.44 0.00 -1.71 -0.85 0.00 0.00 174.74 169.00 2vul n ASN 174 N 2.85 0.00 -4.74 1.40 2.85 0.41 -4.62 115.26 113.41 2vul n ASN 174 Ca 0.10 0.00 -0.31 0.00 -0.11 0.00 0.00 54.58 54.27 2vul n ASN 174 Cb 0.38 0.00 0.11 0.00 1.24 0.00 0.00 39.78 41.51 2vul n ASN 174 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 2vul s TYR 175 N 3.28 2.41 -0.26 1.20 -0.85 -1.14 -0.11 117.35 121.88 2vul s TYR 175 Ca 0.00 1.46 -0.02 0.00 -0.52 0.00 0.00 57.07 58.00 2vul s TYR 175 Cb 0.00 -3.11 0.15 0.00 0.38 0.00 0.00 41.96 39.38 2vul s TYR 175 CO 0.00 -2.10 0.44 -1.14 -1.52 0.00 0.00 175.55 171.23 2vul s GLN 176 N -4.89 0.41 0.07 -3.49 0.74 -0.48 -2.05 119.66 109.97 2vul s GLN 176 Ca 0.62 0.60 0.03 0.00 0.05 0.00 0.00 55.36 56.67 2vul s GLN 176 Cb -0.18 -0.21 -0.03 0.00 1.10 0.00 0.00 33.01 33.69 2vul s GLN 176 CO 0.57 -0.69 -0.09 0.96 -0.55 0.00 0.00 175.29 175.49 2vul s ILE 177 N 2.62 0.77 -0.66 -2.34 -4.36 0.02 0.21 121.20 117.46 2vul s ILE 177 Ca 0.14 -1.44 -0.23 0.00 -0.26 0.00 0.00 60.65 58.86 2vul s ILE 177 Cb -0.15 -1.10 0.07 0.00 1.25 0.00 0.00 42.46 42.53 2vul s ILE 177 CO -0.19 -0.51 0.99 -0.32 0.24 0.00 0.00 174.94 175.15 2vul s MET 178 N -2.39 3.13 0.06 0.37 -2.45 -0.12 -0.75 119.30 117.15 2vul s MET 178 Ca -0.00 -0.75 0.01 0.00 -1.25 0.00 0.00 55.69 53.69 2vul s MET 178 Cb -0.05 -4.21 -0.04 0.00 1.25 0.00 0.00 34.83 31.78 2vul s MET 178 CO -0.00 -1.82 0.17 0.00 1.05 0.00 0.00 175.02 174.41 2vul s ALA 179 N 4.19 3.87 -0.14 4.11 0.00 0.13 -3.92 121.76 129.99 2vul s ALA 179 Ca 0.24 -0.88 -0.03 0.00 0.00 0.00 0.00 51.96 51.28 2vul s ALA 179 Cb -0.16 -1.71 -0.03 0.00 0.00 0.00 0.00 23.12 21.22 2vul s ALA 179 CO 0.11 0.80 -0.04 0.99 0.00 0.00 0.00 175.76 177.62 2vul s THR 180 N -1.45 3.89 0.00 0.00 2.01 -0.02 -1.11 115.64 118.96 2vul s THR 180 Ca 0.33 -0.37 0.06 0.00 0.31 0.00 0.00 61.69 62.01 2vul s THR 180 Cb -0.13 -2.69 -0.02 0.00 0.01 0.00 0.00 72.50 69.68 2vul s THR 180 CO 0.25 0.51 -0.17 -0.70 -0.69 0.00 0.00 174.62 173.82 2vul s GLU 181 N 0.18 1.33 0.02 4.92 2.12 -0.25 -1.48 118.70 125.55 2vul s GLU 181 Ca -0.02 -0.69 0.05 0.00 0.36 0.00 0.00 54.97 54.67 2vul s GLU 181 Cb -0.14 -1.32 -0.02 0.00 0.26 0.00 0.00 34.13 32.91 2vul s GLU 181 CO 0.03 0.35 -0.14 0.20 -0.54 0.00 0.00 175.26 175.17 2vul s GLY 182 N -0.63 0.74 -0.14 -1.50 0.00 -0.48 -0.50 107.32 104.80 2vul s GLY 182 Ca 0.06 -0.75 -0.03 0.00 0.00 0.00 0.00 44.72 44.01 2vul s GLY 182 CO 0.00 -0.70 0.03 -0.47 0.00 0.00 0.00 173.10 171.96 2vul s TYR 183 N -0.70 0.75 -1.29 1.90 5.04 -0.48 -1.69 117.35 120.89 2vul s TYR 183 Ca 0.02 -0.51 -0.17 0.00 -2.44 0.00 0.00 57.07 53.97 2vul s TYR 183 Cb -0.07 -0.89 0.01 0.00 0.35 0.00 0.00 41.96 41.37 2vul s TYR 183 CO 0.01 -0.49 0.55 1.04 -1.34 0.00 0.00 175.55 175.31 2vul n GLN 184 N 5.12 -1.36 -3.92 4.97 6.02 0.15 -4.05 117.38 124.32 2vul n GLN 184 Ca -0.08 0.27 -0.11 0.00 -0.01 0.00 0.00 57.00 57.07 2vul n GLN 184 Cb 0.48 -3.63 -0.00 0.00 1.02 0.00 0.00 30.24 28.12 2vul n GLN 184 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2vul s SER 185 N -3.85 0.37 0.18 1.08 1.04 -1.24 -4.66 113.70 106.62 2vul s SER 185 Ca 0.30 -1.28 0.07 0.00 0.48 0.00 0.00 55.95 55.52 2vul s SER 185 Cb -0.14 0.78 -0.04 0.00 0.10 0.00 0.00 66.02 66.72 2vul s SER 185 CO 0.92 -1.54 -0.14 -0.44 0.98 0.00 0.00 173.24 173.03 2vul s SER 186 N -3.14 2.35 0.00 7.02 0.01 -1.26 -3.41 113.70 115.27 2vul s SER 186 Ca 0.21 -0.99 0.00 0.00 1.31 0.00 0.00 55.95 56.49 2vul s SER 186 Cb -0.03 -0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.09 2vul s SER 186 CO 0.15 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.22 2vul n GLY 187 N -0.20 -1.35 3.32 3.44 0.00 -0.14 -4.14 105.19 106.12 2vul n GLY 187 Ca -0.10 -1.08 -0.10 0.00 0.00 0.00 0.00 46.02 44.74 2vul n GLY 187 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2vul s SER 188 N -3.92 -0.17 0.10 1.61 1.04 -0.28 -0.59 113.70 111.48 2vul s SER 188 Ca 0.00 -0.41 -0.16 0.00 0.48 0.00 0.00 55.95 55.86 2vul s SER 188 Cb 0.00 0.46 0.03 0.00 0.10 0.00 0.00 66.02 66.61 2vul s SER 188 CO 0.00 -0.86 0.38 -0.94 0.98 0.00 0.00 173.24 172.80 2vul s SER 189 N -2.83 -0.21 -0.28 7.02 1.04 -0.61 -0.99 113.70 116.84 2vul s SER 189 Ca 0.05 -0.27 -0.00 0.00 0.48 0.00 0.00 55.95 56.20 2vul s SER 189 Cb 0.02 0.45 0.14 0.00 0.10 0.00 0.00 66.02 66.72 2vul s SER 189 CO -0.10 -0.79 0.32 -0.62 0.98 0.00 0.00 173.24 173.02 2vul s ASP 190 N -2.60 1.31 -0.11 7.02 -1.08 -0.34 -0.70 116.67 120.17 2vul s ASP 190 Ca 0.01 -0.58 0.02 0.00 -0.52 0.00 0.00 52.55 51.48 2vul s ASP 190 Cb 0.01 0.65 0.01 0.00 -1.46 0.00 0.00 42.92 42.14 2vul s ASP 190 CO -0.09 -0.37 -0.16 -0.63 0.52 0.00 0.00 175.17 174.43 2vul s ILE 191 N 2.41 1.59 -0.24 4.11 -1.09 -0.05 -0.53 121.20 127.41 2vul s ILE 191 Ca 0.09 -0.70 -0.06 0.00 -2.23 0.00 0.00 60.65 57.75 2vul s ILE 191 Cb -0.14 -1.45 -0.03 0.00 -1.58 0.00 0.00 42.46 39.27 2vul s ILE 191 CO -0.30 0.46 0.04 -0.89 -1.23 0.00 0.00 174.94 173.03 2vul s THR 192 N 0.95 4.13 0.14 2.92 2.01 -0.36 -0.43 115.64 124.99 2vul s THR 192 Ca -0.07 -0.24 0.01 0.00 0.31 0.00 0.00 61.69 61.71 2vul s THR 192 Cb -0.15 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 2vul s THR 192 CO -0.01 0.37 0.29 -0.69 -0.69 0.00 0.00 174.62 173.88 2vul s VAL 193 N 1.49 5.32 0.00 3.82 1.01 0.10 -1.82 120.40 130.31 2vul s VAL 193 Ca 0.06 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.50 2vul s VAL 193 Cb -0.15 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.52 2vul s VAL 193 CO 0.02 -0.05 0.00 -1.20 0.00 0.00 0.00 175.10 173.88