#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vje h SER 9 N 0.00 0.20 0.41 4.31 0.87 -1.99 0.14 113.55 117.50 1vje h SER 9 Ca 0.00 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1vje h SER 9 Cb 0.00 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1vje h SER 9 CO 0.00 -0.02 0.00 0.49 -0.53 0.00 0.00 176.83 176.77 1vje n PHE 10 N -5.09 0.00 0.99 2.24 0.99 -1.26 -2.70 117.46 112.63 1vje n PHE 10 Ca 0.19 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.76 1vje n PHE 10 Cb 0.59 -0.30 0.12 0.00 -1.00 0.00 0.00 39.48 38.89 1vje n PHE 10 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.76 176.51 1vje n ASP 11 N -1.30 0.67 -4.73 4.37 10.43 0.49 -4.90 116.55 121.57 1vje n ASP 11 Ca 0.09 -0.50 -0.41 0.00 2.57 0.00 0.00 54.79 56.54 1vje n ASP 11 Cb 0.17 0.51 -0.04 0.00 1.84 0.00 0.00 41.12 43.60 1vje n ASP 11 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 1vje s LEU 12 N -3.01 4.44 -0.65 0.64 2.96 -1.10 -0.71 118.68 121.25 1vje s LEU 12 Ca 0.10 2.10 -0.26 0.00 -0.22 0.00 0.00 54.13 55.85 1vje s LEU 12 Cb 0.17 -3.60 0.04 0.00 0.50 0.00 0.00 46.19 43.30 1vje s LEU 12 CO 0.76 -0.33 1.16 -0.62 -1.32 0.00 0.00 176.35 176.01 1vje s ASP 13 N 0.28 6.27 0.47 3.68 -1.08 0.60 -4.76 116.67 122.13 1vje s ASP 13 Ca 0.53 -0.34 0.32 0.00 -0.52 0.00 0.00 52.55 52.54 1vje s ASP 13 Cb -0.30 -2.52 1.55 0.00 -1.46 0.00 0.00 42.92 40.19 1vje s ASP 13 CO 0.34 -1.59 1.96 0.45 0.52 0.00 0.00 175.17 176.85 1vje h HIS 14 N 9.72 0.00 0.00 -5.34 3.86 -1.93 -2.69 115.15 118.77 1vje h HIS 14 Ca -0.27 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.94 1vje h HIS 14 Cb 1.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.53 1vje h HIS 14 CO 1.05 0.00 -0.23 0.25 0.86 0.00 0.00 177.93 179.85 1vje n THR 15 N -2.71 0.16 0.31 2.45 -2.24 -1.26 -4.08 114.28 106.90 1vje n THR 15 Ca -0.01 -0.09 0.08 0.00 -2.27 0.00 0.00 64.05 61.76 1vje n THR 15 Cb 0.16 -0.25 -0.12 0.00 -2.10 0.00 0.00 70.33 68.02 1vje n THR 15 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1vje n LYS 16 N -1.73 0.91 -1.56 -0.78 5.02 -1.01 -4.99 118.16 114.01 1vje n LYS 16 Ca 0.06 -0.09 -0.29 0.00 -2.02 0.00 0.00 58.31 55.96 1vje n LYS 16 Cb 0.37 -1.36 0.11 0.00 -0.02 0.00 0.00 35.03 34.13 1vje n LYS 16 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1vje s VAL 17 N -2.95 2.62 -0.37 -0.18 -7.23 -1.23 -5.04 120.40 106.02 1vje s VAL 17 Ca -0.01 0.20 0.01 0.00 -1.81 0.00 0.00 61.98 60.37 1vje s VAL 17 Cb 0.12 -2.96 0.11 0.00 0.56 0.00 0.00 36.38 34.21 1vje s VAL 17 CO 0.70 -0.26 0.14 -0.54 -0.31 0.00 0.00 175.10 174.83 1vje s LYS 18 N -5.22 1.14 0.55 4.82 -0.14 -1.26 -4.97 119.74 114.66 1vje s LYS 18 Ca 0.62 -1.63 -0.17 0.00 -1.36 0.00 0.00 55.97 53.43 1vje s LYS 18 Cb -0.14 -2.46 -0.06 0.00 -1.68 0.00 0.00 37.83 33.49 1vje s LYS 18 CO 0.54 -1.03 1.03 0.00 -0.76 0.00 0.00 175.35 175.12 1vje s ALA 19 N 0.96 2.87 0.50 5.17 0.00 -1.26 -4.31 121.76 125.68 1vje s ALA 19 Ca 0.13 0.35 -0.08 0.00 0.00 0.00 0.00 51.96 52.36 1vje s ALA 19 Cb -0.20 -3.20 -0.04 0.00 0.00 0.00 0.00 23.12 19.68 1vje s ALA 19 CO -0.12 -0.54 0.85 -1.25 0.00 0.00 0.00 175.76 174.70 1vje s PRO 20 N -3.94 3.62 0.26 0.00 0.04 -1.26 -4.83 135.00 128.88 1vje s PRO 20 Ca 0.63 0.42 -0.20 0.00 0.04 0.00 0.00 61.00 61.88 1vje s PRO 20 Cb -0.14 -2.29 0.06 0.00 0.04 0.00 0.00 34.50 32.17 1vje s PRO 20 CO 0.32 -0.27 0.90 1.52 0.04 0.00 0.00 177.00 179.51 1vje s TYR 21 N -2.78 0.02 -0.06 0.56 -0.85 -0.67 -3.87 117.35 109.69 1vje s TYR 21 Ca 0.51 -0.51 0.05 0.00 -0.52 0.00 0.00 57.07 56.60 1vje s TYR 21 Cb -0.10 0.74 -0.01 0.00 0.38 0.00 0.00 41.96 42.97 1vje s TYR 21 CO 0.44 -1.17 -0.23 0.08 -1.52 0.00 0.00 175.55 173.15 1vje s VAL 22 N -2.65 1.88 -0.04 -3.49 1.01 -0.40 -1.13 120.40 115.58 1vje s VAL 22 Ca 0.16 -0.96 -0.02 0.00 0.00 0.00 0.00 61.98 61.16 1vje s VAL 22 Cb -0.04 -1.60 0.02 0.00 0.00 0.00 0.00 36.38 34.76 1vje s VAL 22 CO 0.07 0.52 0.10 -0.60 0.00 0.00 0.00 175.10 175.19 1vje s ARG 23 N -0.01 0.08 -0.06 2.72 3.52 -0.57 -1.50 118.95 123.13 1vje s ARG 23 Ca -0.06 0.22 -0.30 0.00 -0.13 0.00 0.00 55.73 55.46 1vje s ARG 23 Cb -0.14 -0.08 -0.05 0.00 -1.56 0.00 0.00 34.95 33.13 1vje s ARG 23 CO 0.04 -0.09 1.55 -1.17 -0.81 0.00 0.00 175.30 174.82 1vje s LEU 24 N 0.59 4.30 0.02 -0.88 2.96 -1.26 -0.70 118.68 123.70 1vje s LEU 24 Ca -0.05 2.13 0.22 0.00 -0.22 0.00 0.00 54.13 56.21 1vje s LEU 24 Cb -0.06 -3.54 -0.12 0.00 0.50 0.00 0.00 46.19 42.97 1vje s LEU 24 CO -0.02 -0.87 0.87 0.00 -1.32 0.00 0.00 176.35 175.01 1vje n ALA 25 N 6.74 3.67 0.00 5.97 0.00 0.18 -4.88 120.51 132.19 1vje n ALA 25 Ca 0.16 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1vje n ALA 25 Cb 0.43 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 19.02 1vje n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vje n GLY 26 N 1.38 1.30 3.12 0.00 0.00 -1.14 -4.74 105.19 105.12 1vje n GLY 26 Ca 0.01 -0.81 -0.12 0.00 0.00 0.00 0.00 46.02 45.11 1vje n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vje s VAL 27 N -2.00 -0.07 0.01 1.61 0.11 -1.26 -0.09 120.40 118.72 1vje s VAL 27 Ca 0.00 0.14 0.06 0.00 -2.93 0.00 0.00 61.98 59.25 1vje s VAL 27 Cb 0.00 -0.46 -0.03 0.00 -1.53 0.00 0.00 36.38 34.36 1vje s VAL 27 CO 0.00 0.06 -0.18 -0.54 -3.33 0.00 0.00 175.10 171.11 1vje s LYS 28 N 1.39 2.19 -0.12 1.54 1.02 -0.11 -4.97 119.74 120.69 1vje s LYS 28 Ca -0.09 -0.90 -0.15 0.00 0.02 0.00 0.00 55.97 54.85 1vje s LYS 28 Cb -0.10 -2.22 -0.05 0.00 -0.52 0.00 0.00 37.83 34.94 1vje s LYS 28 CO -0.10 0.56 0.36 0.99 -0.92 0.00 0.00 175.35 176.25 1vje s THR 29 N -0.84 5.23 0.56 2.17 2.01 -1.26 -1.18 115.64 122.33 1vje s THR 29 Ca 0.13 0.71 -0.03 0.00 0.31 0.00 0.00 61.69 62.81 1vje s THR 29 Cb -0.10 -3.69 0.02 0.00 0.01 0.00 0.00 72.50 68.73 1vje s THR 29 CO 0.03 0.42 0.84 0.42 -0.69 0.00 0.00 174.62 175.64 1vje s THR 30 N 0.15 3.42 0.40 -0.82 -4.23 0.10 -4.96 115.64 109.70 1vje s THR 30 Ca 0.21 -0.26 0.16 0.00 -1.18 0.00 0.00 61.69 60.62 1vje s THR 30 Cb -0.14 -3.33 0.38 0.00 1.34 0.00 0.00 72.50 70.74 1vje s THR 30 CO 0.08 -0.30 1.81 -0.65 -0.54 0.00 0.00 174.62 175.02 1vje h PRO 31 N -0.05 0.44 -0.21 3.99 0.11 -1.98 0.00 132.00 134.31 1vje h PRO 31 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1vje h PRO 31 Cb 1.27 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1vje h PRO 31 CO 0.58 0.29 0.00 1.63 -0.21 0.00 0.00 178.00 180.29 1vje n LYS 32 N -4.58 1.79 0.00 1.05 5.02 -1.26 -4.91 118.16 115.27 1vje n LYS 32 Ca 0.22 -1.20 0.00 0.00 -2.02 0.00 0.00 58.31 55.31 1vje n LYS 32 Cb 0.75 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 34.37 1vje n LYS 32 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1vje n GLY 33 N 1.15 0.75 3.95 0.72 0.00 -0.01 -5.10 105.19 106.64 1vje n GLY 33 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 1vje n GLY 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1vje s ASP 34 N -2.45 3.51 0.01 1.61 1.01 -1.25 -4.77 116.67 114.34 1vje s ASP 34 Ca 0.00 0.14 0.03 0.00 0.71 0.00 0.00 52.55 53.43 1vje s ASP 34 Cb 0.00 -0.29 -0.01 0.00 1.01 0.00 0.00 42.92 43.62 1vje s ASP 34 CO 0.00 -2.47 -0.09 -1.10 0.21 0.00 0.00 175.17 171.73 1vje s GLN 35 N -5.68 0.66 -0.22 8.23 -0.21 -1.26 0.03 119.66 121.21 1vje s GLN 35 Ca 0.71 -0.45 -0.03 0.00 0.02 0.00 0.00 55.36 55.61 1vje s GLN 35 Cb -0.05 -0.61 0.00 0.00 1.00 0.00 0.00 33.01 33.36 1vje s GLN 35 CO 0.51 0.16 -0.07 0.42 -2.12 0.00 0.00 175.29 174.18 1vje s ILE 36 N -0.53 3.10 -0.07 1.08 -1.09 -0.32 -0.65 121.20 122.73 1vje s ILE 36 Ca 0.00 -0.66 -0.03 0.00 -2.23 0.00 0.00 60.65 57.74 1vje s ILE 36 Cb -0.05 -2.43 -0.04 0.00 -1.58 0.00 0.00 42.46 38.36 1vje s ILE 36 CO 0.00 0.40 0.08 -0.44 -1.23 0.00 0.00 174.94 173.75 1vje s SER 37 N 1.42 5.79 -0.08 3.58 0.01 0.60 -0.93 113.70 124.10 1vje s SER 37 Ca 0.05 0.26 0.02 0.00 1.31 0.00 0.00 55.95 57.58 1vje s SER 37 Cb -0.14 -1.74 -0.02 0.00 0.21 0.00 0.00 66.02 64.33 1vje s SER 37 CO -0.05 0.35 -0.14 -0.75 0.41 0.00 0.00 173.24 173.06 1vje s LYS 38 N -1.26 2.81 -0.02 12.44 2.20 0.87 -0.75 119.74 136.03 1vje s LYS 38 Ca 0.18 -0.69 0.06 0.00 -0.36 0.00 0.00 55.97 55.16 1vje s LYS 38 Cb -0.12 -2.47 -0.01 0.00 -1.51 0.00 0.00 37.83 33.72 1vje s LYS 38 CO 0.07 0.49 -0.20 0.71 -0.36 0.00 0.00 175.35 176.07 1vje s TYR 39 N -0.37 1.81 -0.48 4.03 2.02 0.62 0.50 117.35 125.48 1vje s TYR 39 Ca 0.04 -0.40 -0.18 0.00 -0.37 0.00 0.00 57.07 56.16 1vje s TYR 39 Cb -0.12 -1.18 0.05 0.00 -0.40 0.00 0.00 41.96 40.31 1vje s TYR 39 CO 0.02 -0.07 0.56 0.34 -1.57 0.00 0.00 175.55 174.83 1vje s ASP 40 N -0.33 6.21 -0.67 2.29 2.15 0.12 -1.25 116.67 125.19 1vje s ASP 40 Ca 0.04 -0.90 -0.15 0.00 0.43 0.00 0.00 52.55 51.97 1vje s ASP 40 Cb -0.09 -2.26 0.17 0.00 -0.30 0.00 0.00 42.92 40.44 1vje s ASP 40 CO 0.00 -0.79 0.63 -0.76 -0.17 0.00 0.00 175.17 174.08 1vje s LEU 41 N 2.39 6.43 -0.26 -1.34 1.43 0.23 -1.51 118.68 126.06 1vje s LEU 41 Ca 0.13 -2.19 -0.15 0.00 -1.03 0.00 0.00 54.13 50.89 1vje s LEU 41 Cb -0.19 -2.21 -0.04 0.00 0.03 0.00 0.00 46.19 43.78 1vje s LEU 41 CO 0.12 -0.73 0.38 -0.60 0.23 0.00 0.00 176.35 175.74 1vje s ARG 42 N 0.97 4.04 -0.20 1.70 6.06 -0.29 -0.46 118.95 130.78 1vje s ARG 42 Ca 0.10 0.07 -0.23 0.00 -2.50 0.00 0.00 55.73 53.17 1vje s ARG 42 Cb -0.21 -3.64 -0.20 0.00 0.06 0.00 0.00 34.95 30.96 1vje s ARG 42 CO -0.02 -0.25 0.31 0.74 -2.50 0.00 0.00 175.30 173.58 1vje h PHE 43 N 8.05 0.00 -3.09 5.12 0.04 -1.32 -1.79 116.94 123.95 1vje h PHE 43 Ca -0.32 0.00 -0.63 0.00 2.80 0.00 0.00 57.97 59.82 1vje h PHE 43 Cb 1.16 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.16 1vje h PHE 43 CO 0.75 1.40 -0.74 -0.51 -0.60 0.00 0.00 178.31 178.61 1vje s LEU 44 N -7.93 2.88 0.06 1.54 1.43 -0.46 -4.18 118.68 112.01 1vje s LEU 44 Ca -0.27 -0.62 -0.31 0.00 -1.03 0.00 0.00 54.13 51.91 1vje s LEU 44 Cb 0.04 -1.58 -0.08 0.00 0.03 0.00 0.00 46.19 44.60 1vje s LEU 44 CO 0.61 0.11 1.59 -1.58 0.23 0.00 0.00 176.35 177.31 1vje s GLN 45 N -2.74 4.22 0.12 1.70 2.00 -1.26 -4.81 119.66 118.88 1vje s GLN 45 Ca 0.24 2.25 -0.35 0.00 -2.00 0.00 0.00 55.36 55.50 1vje s GLN 45 Cb -0.09 -3.56 -0.16 0.00 0.80 0.00 0.00 33.01 30.00 1vje s GLN 45 CO 0.14 -0.69 1.25 -2.30 -0.50 0.00 0.00 175.29 173.20 1vje n PRO 46 N 5.41 1.09 -1.25 1.67 -0.02 -1.26 -1.90 135.00 138.73 1vje n PRO 46 Ca 0.15 0.39 -0.09 0.00 -2.02 0.00 0.00 63.50 61.94 1vje n PRO 46 Cb 0.41 -1.97 -0.04 0.00 -0.02 0.00 0.00 33.50 31.89 1vje n PRO 46 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1vje n ASN 47 N 2.28 -4.84 -0.60 2.55 3.02 -1.26 -4.85 115.26 111.56 1vje n ASN 47 Ca 0.17 0.21 0.07 0.00 -0.03 0.00 0.00 54.58 55.00 1vje n ASN 47 Cb 0.21 -3.10 0.18 0.00 -0.61 0.00 0.00 39.78 36.46 1vje n ASN 47 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1vje n GLN 48 N -1.69 2.71 0.00 3.52 1.13 -0.80 -5.06 117.38 117.19 1vje n GLN 48 Ca -0.09 -2.39 0.00 0.00 -1.94 0.00 0.00 57.00 52.58 1vje n GLN 48 Cb 0.42 -1.51 0.00 0.00 0.11 0.00 0.00 30.24 29.25 1vje n GLN 48 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1vje n GLY 49 N -0.28 4.05 3.22 1.08 0.00 -1.26 -4.98 105.19 107.03 1vje n GLY 49 Ca 0.15 -1.62 -0.13 0.00 0.00 0.00 0.00 46.02 44.42 1vje n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vje s ALA 50 N -2.16 1.29 0.15 4.61 0.00 -1.26 -4.83 121.76 119.57 1vje s ALA 50 Ca 0.00 -1.45 -0.30 0.00 0.00 0.00 0.00 51.96 50.21 1vje s ALA 50 Cb 0.00 0.11 -0.07 0.00 0.00 0.00 0.00 23.12 23.16 1vje s ALA 50 CO 0.00 -0.15 1.01 0.42 0.00 0.00 0.00 175.76 177.04 1vje s ILE 51 N -3.44 4.21 0.53 0.00 1.01 0.21 -5.01 121.20 118.71 1vje s ILE 51 Ca 0.15 1.91 -0.22 0.00 0.00 0.00 0.00 60.65 62.49 1vje s ILE 51 Cb 0.04 -4.22 -0.06 0.00 0.01 0.00 0.00 42.46 38.23 1vje s ILE 51 CO -0.01 0.33 1.30 -0.67 0.00 0.00 0.00 174.94 175.89 1vje n ASP 52 N 2.44 2.47 -0.27 3.58 2.03 -1.26 -4.72 116.55 120.82 1vje n ASP 52 Ca 0.02 0.98 0.03 0.00 0.52 0.00 0.00 54.79 56.34 1vje n ASP 52 Cb 0.48 -1.54 0.16 0.00 -0.72 0.00 0.00 41.12 39.50 1vje n ASP 52 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1vje h PRO 53 N 1.46 0.64 -0.54 -0.67 0.11 -1.98 -0.09 132.00 130.93 1vje h PRO 53 Ca -0.50 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.53 1vje h PRO 53 Cb 1.31 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1vje h PRO 53 CO 0.57 0.43 0.17 0.00 -0.21 0.00 0.00 178.00 178.95 1vje h ALA 54 N 1.46 0.71 -0.74 -0.75 0.00 -1.91 -2.05 119.26 115.98 1vje h ALA 54 Ca 0.39 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1vje h ALA 54 Cb 0.42 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1vje h ALA 54 CO -0.28 0.37 0.45 0.00 0.00 0.00 0.00 179.25 179.79 1vje h ALA 55 N 1.03 0.94 0.00 0.00 0.00 -1.57 -1.22 119.26 118.44 1vje h ALA 55 Ca 0.17 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 1vje h ALA 55 Cb 0.28 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1vje h ALA 55 CO -0.00 0.41 -0.36 0.97 0.00 0.00 0.00 179.25 180.27 1vje h ILE 56 N 1.01 0.76 -0.41 0.00 2.10 -0.96 -0.41 117.51 119.59 1vje h ILE 56 Ca 0.26 -1.58 -0.08 0.00 1.08 0.00 0.00 64.86 64.54 1vje h ILE 56 Cb -0.04 2.02 -0.01 0.00 -1.09 0.00 0.00 36.82 37.70 1vje h ILE 56 CO -0.05 0.35 -0.06 -0.74 -1.08 0.00 0.00 178.15 176.57 1vje h HIS 57 N 0.00 0.85 -0.45 2.19 2.76 -0.98 0.20 115.15 119.73 1vje h HIS 57 Ca -0.00 -0.17 -0.08 0.00 -2.20 0.00 0.00 60.37 57.91 1vje h HIS 57 Cb 0.99 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.72 1vje h HIS 57 CO 0.00 0.87 -0.03 1.15 -1.30 0.00 0.00 177.93 178.62 1vje h THR 58 N 0.59 1.27 -0.84 6.26 2.02 -0.91 -1.55 112.91 119.75 1vje h THR 58 Ca 0.11 -1.11 0.03 0.00 0.77 0.00 0.00 66.41 66.22 1vje h THR 58 Cb 0.57 1.07 -0.05 0.00 -1.74 0.00 0.00 68.15 68.01 1vje h THR 58 CO 0.03 0.38 0.55 -0.07 0.37 0.00 0.00 175.52 176.78 1vje h LEU 59 N 0.66 0.90 -0.18 2.58 3.38 -0.89 0.02 115.31 121.77 1vje h LEU 59 Ca 0.12 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 1vje h LEU 59 Cb 0.55 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1vje h LEU 59 CO 0.03 0.62 0.09 -0.08 0.09 0.00 0.00 178.44 179.19 1vje h GLU 60 N 1.04 0.25 -0.80 1.13 4.81 -0.53 0.21 114.58 120.70 1vje h GLU 60 Ca 0.33 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.50 1vje h GLU 60 Cb 0.02 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.32 1vje h GLU 60 CO -0.10 0.26 0.40 0.45 -0.73 0.00 0.00 179.01 179.30 1vje h HIS 61 N 0.17 1.13 -0.09 0.92 3.86 -0.46 -1.01 115.15 119.66 1vje h HIS 61 Ca 0.06 -0.04 -0.12 0.00 -1.16 0.00 0.00 60.37 59.11 1vje h HIS 61 Cb 0.09 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 28.21 1vje h HIS 61 CO -0.03 0.81 -0.40 -0.07 0.86 0.00 0.00 177.93 179.10 1vje h LEU 62 N 1.12 0.51 -0.87 2.43 3.38 -0.86 -3.25 115.31 117.78 1vje h LEU 62 Ca 0.28 -0.63 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 1vje h LEU 62 Cb 0.09 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1vje h LEU 62 CO -0.04 1.06 -0.05 -0.07 0.09 0.00 0.00 178.44 179.43 1vje h LEU 63 N -0.00 0.00 -0.63 1.67 3.38 -0.56 -0.67 115.31 118.49 1vje h LEU 63 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1vje h LEU 63 Cb 1.04 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 1vje h LEU 63 CO 0.08 0.05 0.40 0.00 0.09 0.00 0.00 178.44 179.07 1vje h ALA 64 N 1.95 0.81 0.16 1.53 0.00 -1.21 0.68 119.26 123.17 1vje h ALA 64 Ca -0.00 -0.06 -0.24 0.00 0.00 0.00 0.00 54.91 54.61 1vje h ALA 64 Cb 0.75 -0.26 0.02 0.00 0.00 0.00 0.00 17.79 18.30 1vje h ALA 64 CO 0.01 0.26 -1.12 0.78 0.00 0.00 0.00 179.25 179.18 1vje h GLY 65 N 0.86 0.39 1.56 0.00 0.00 -1.58 -3.30 103.07 101.01 1vje h GLY 65 Ca 0.23 -1.01 -0.12 0.00 0.00 0.00 0.00 47.33 46.43 1vje h GLY 65 CO -0.05 0.88 -0.35 -0.97 0.00 0.00 0.00 176.54 176.06 1vje h TYR 66 N -0.23 0.58 -0.63 5.60 0.99 -1.03 -1.39 116.97 120.87 1vje h TYR 66 Ca -0.21 -0.15 -0.06 0.00 2.00 0.00 0.00 58.73 60.31 1vje h TYR 66 Cb 1.80 -0.13 -0.03 0.00 1.00 0.00 0.00 36.73 39.37 1vje h TYR 66 CO 0.16 0.79 0.14 0.52 -0.00 0.00 0.00 178.16 179.77 1vje h MET 67 N 0.42 1.01 0.00 4.88 2.86 -1.04 -2.64 114.93 120.42 1vje h MET 67 Ca 0.05 -0.25 -0.02 0.00 -2.06 0.00 0.00 59.70 57.42 1vje h MET 67 Cb 0.81 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.34 1vje h MET 67 CO 0.07 0.92 -0.10 0.00 1.06 0.00 0.00 176.91 178.86 1vje h ARG 68 N 0.93 0.00 0.00 1.72 3.08 -1.51 -0.42 114.38 118.17 1vje h ARG 68 Ca 0.20 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.17 1vje h ARG 68 Cb 0.37 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 1vje h ARG 68 CO 0.00 0.10 -0.34 -0.44 -1.07 0.00 0.00 179.97 178.23 1vje h ASP 69 N 0.00 0.00 -0.01 7.04 3.32 -0.91 -3.31 116.42 122.56 1vje h ASP 69 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1vje h ASP 69 Cb 0.38 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.93 1vje h ASP 69 CO 0.01 0.34 -0.03 1.41 -1.72 0.00 0.00 179.24 179.25 1vje n HIS 70 N -3.28 0.00 -3.73 4.55 8.25 -0.74 -4.99 115.22 115.28 1vje n HIS 70 Ca 0.01 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.35 1vje n HIS 70 Cb 0.59 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.58 1vje n HIS 70 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1vje s LEU 71 N -0.87 0.43 0.46 2.41 2.96 -0.25 -4.73 118.68 119.09 1vje s LEU 71 Ca 0.09 0.63 -0.13 0.00 -0.22 0.00 0.00 54.13 54.50 1vje s LEU 71 Cb 0.07 0.95 -0.07 0.00 0.50 0.00 0.00 46.19 47.65 1vje s LEU 71 CO 0.13 -0.15 0.87 -1.61 -1.32 0.00 0.00 176.35 174.26 1vje s GLU 72 N 0.98 3.83 -0.05 1.98 2.02 -1.26 -4.27 118.70 121.93 1vje s GLU 72 Ca -0.07 0.67 0.00 0.00 0.02 0.00 0.00 54.97 55.59 1vje s GLU 72 Cb -0.08 -2.28 0.00 0.00 0.10 0.00 0.00 34.13 31.88 1vje s GLU 72 CO -0.07 -0.16 0.00 0.41 0.02 0.00 0.00 175.26 175.46 1vje n GLY 73 N -1.50 0.46 3.69 -1.39 0.00 -1.26 -4.76 105.19 100.44 1vje n GLY 73 Ca 0.04 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.47 1vje n GLY 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vje s VAL 74 N -1.91 2.85 -0.20 1.61 1.01 -1.26 -0.36 120.40 122.14 1vje s VAL 74 Ca 0.00 0.38 0.01 0.00 0.00 0.00 0.00 61.98 62.37 1vje s VAL 74 Cb 0.00 -3.24 -0.21 0.00 0.00 0.00 0.00 36.38 32.93 1vje s VAL 74 CO 0.00 0.00 0.01 0.52 0.00 0.00 0.00 175.10 175.64 1vje n VAL 75 N 4.61 1.58 -3.56 2.92 0.31 0.51 -4.92 118.33 119.78 1vje n VAL 75 Ca 0.16 -0.63 -0.16 0.00 -0.01 0.00 0.00 64.34 63.70 1vje n VAL 75 Cb 0.40 -1.42 -0.06 0.00 -0.91 0.00 0.00 33.84 31.85 1vje n VAL 75 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1vje s ASP 76 N -6.57 -0.67 -0.19 4.52 2.15 -1.14 -4.97 116.67 109.79 1vje s ASP 76 Ca -0.28 0.91 -0.01 0.00 0.43 0.00 0.00 52.55 53.60 1vje s ASP 76 Cb 0.08 0.80 0.05 0.00 -0.30 0.00 0.00 42.92 43.55 1vje s ASP 76 CO 0.68 -0.49 -0.01 -0.69 -0.17 0.00 0.00 175.17 174.50 1vje s VAL 77 N -0.72 0.86 0.10 1.11 1.01 -1.26 -1.38 120.40 120.13 1vje s VAL 77 Ca -0.07 -0.67 0.04 0.00 0.00 0.00 0.00 61.98 61.28 1vje s VAL 77 Cb -0.02 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 1vje s VAL 77 CO 0.07 -0.08 -0.12 -0.44 0.00 0.00 0.00 175.10 174.53 1vje s SER 78 N 1.71 1.63 0.51 3.32 0.01 -0.16 -4.84 113.70 115.90 1vje s SER 78 Ca -0.01 -0.78 -0.20 0.00 1.31 0.00 0.00 55.95 56.27 1vje s SER 78 Cb -0.17 -0.02 -0.07 0.00 0.21 0.00 0.00 66.02 65.97 1vje s SER 78 CO -0.07 -0.20 1.07 -2.16 0.41 0.00 0.00 173.24 172.28 1vje s PRO 79 N -2.59 3.62 0.27 12.44 0.04 -1.26 -0.55 135.00 146.97 1vje s PRO 79 Ca 0.05 1.42 -0.21 0.00 0.04 0.00 0.00 61.00 62.30 1vje s PRO 79 Cb -0.05 -2.06 -0.09 0.00 0.04 0.00 0.00 34.50 32.34 1vje s PRO 79 CO 0.01 -0.59 0.79 -1.64 0.04 0.00 0.00 177.00 175.61 1vje s MET 80 N -3.34 4.30 0.00 4.56 -1.94 -0.49 -4.70 119.30 117.69 1vje s MET 80 Ca 0.68 0.97 0.00 0.00 -1.71 0.00 0.00 55.69 55.63 1vje s MET 80 Cb -0.18 -2.75 0.00 0.00 2.01 0.00 0.00 34.83 33.90 1vje s MET 80 CO 0.24 0.31 0.09 0.41 -0.01 0.00 0.00 175.02 176.05 1vje n GLY 81 N 0.44 0.51 0.47 -0.03 0.00 -1.26 -4.60 105.19 100.72 1vje n GLY 81 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 1vje n GLY 81 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vje n ARG 83 N 2.03 0.00 0.00 1.61 1.74 -1.26 -5.13 116.66 115.66 1vje n ARG 83 Ca 0.00 -0.07 0.05 0.00 -0.77 0.00 0.00 57.85 57.06 1vje n ARG 83 Cb 0.00 0.43 0.00 0.00 -1.02 0.00 0.00 32.46 31.87 1vje n ARG 83 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1vje n THR 84 N 0.00 0.00 -3.64 0.55 -2.24 -1.26 -0.62 114.28 107.07 1vje n THR 84 Ca -0.02 -0.41 -0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1vje n THR 84 Cb 0.25 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.61 1vje n THR 84 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vje n GLY 85 N 0.85 0.97 3.24 3.38 0.00 -1.26 -0.91 105.19 111.45 1vje n GLY 85 Ca 0.04 -0.95 -0.23 0.00 0.00 0.00 0.00 46.02 44.88 1vje n GLY 85 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1vje s MET 86 N -2.01 1.11 -0.07 1.61 1.00 0.39 -1.40 119.30 119.93 1vje s MET 86 Ca 0.06 -1.03 -0.04 0.00 0.00 0.00 0.00 55.69 54.68 1vje s MET 86 Cb -0.01 -1.27 -0.04 0.00 0.00 0.00 0.00 34.83 33.52 1vje s MET 86 CO 0.01 0.30 0.12 0.71 0.00 0.00 0.00 175.02 176.17 1vje s TYR 87 N -1.06 3.49 -0.04 -0.03 2.02 0.29 -0.60 117.35 121.42 1vje s TYR 87 Ca 0.05 0.40 0.01 0.00 -0.37 0.00 0.00 57.07 57.17 1vje s TYR 87 Cb -0.09 -1.87 0.02 0.00 -0.40 0.00 0.00 41.96 39.61 1vje s TYR 87 CO 0.03 0.66 -0.06 1.41 -1.57 0.00 0.00 175.55 176.02 1vje s MET 88 N -1.32 0.94 -0.14 -0.62 -2.45 -0.38 -0.99 119.30 114.34 1vje s MET 88 Ca 0.19 -0.18 -0.04 0.00 -1.25 0.00 0.00 55.69 54.41 1vje s MET 88 Cb -0.12 -0.89 -0.03 0.00 1.25 0.00 0.00 34.83 35.04 1vje s MET 88 CO 0.09 -0.03 -0.02 0.00 1.05 0.00 0.00 175.02 176.11 1vje s ALA 89 N 0.72 3.11 -0.02 4.11 0.00 -0.48 -0.27 121.76 128.93 1vje s ALA 89 Ca -0.10 -0.81 0.03 0.00 0.00 0.00 0.00 51.96 51.08 1vje s ALA 89 Cb -0.13 -1.57 -0.00 0.00 0.00 0.00 0.00 23.12 21.41 1vje s ALA 89 CO 0.01 0.30 -0.10 0.08 0.00 0.00 0.00 175.76 176.05 1vje s VAL 90 N 0.05 0.86 -0.22 0.00 1.01 0.08 -0.36 120.40 121.82 1vje s VAL 90 Ca 0.01 -0.43 -0.27 0.00 0.00 0.00 0.00 61.98 61.29 1vje s VAL 90 Cb -0.13 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 35.51 1vje s VAL 90 CO 0.02 0.26 0.95 -0.63 0.00 0.00 0.00 175.10 175.70 1vje s ILE 91 N -0.01 4.76 0.00 2.22 1.01 0.51 -0.29 121.20 129.40 1vje s ILE 91 Ca -0.00 1.84 0.00 0.00 0.00 0.00 0.00 60.65 62.49 1vje s ILE 91 Cb -0.07 -4.23 0.00 0.00 0.01 0.00 0.00 42.46 38.17 1vje s ILE 91 CO 0.00 -0.11 0.00 0.61 0.00 0.00 0.00 174.94 175.44 1vje n GLY 92 N 3.45 4.21 3.62 6.18 0.00 0.18 -4.65 105.19 118.18 1vje n GLY 92 Ca 0.09 -1.37 -0.35 0.00 0.00 0.00 0.00 46.02 44.39 1vje n GLY 92 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1vje n GLU 93 N -1.82 0.36 -1.71 1.61 0.28 -1.26 -3.63 120.64 114.46 1vje n GLU 93 Ca 0.00 0.18 -0.42 0.00 -0.16 0.00 0.00 57.16 56.76 1vje n GLU 93 Cb 0.00 -2.26 -0.01 0.00 1.43 0.00 0.00 31.44 30.60 1vje n GLU 93 CO 0.00 0.00 0.00 -2.30 -0.16 0.00 0.00 177.13 174.67 1vje n PRO 94 N -2.26 2.20 -2.87 3.44 -0.02 -1.26 -4.94 135.00 129.29 1vje n PRO 94 Ca 0.13 0.77 -0.12 0.00 -2.02 0.00 0.00 63.50 62.26 1vje n PRO 94 Cb 0.50 -2.38 0.02 0.00 -0.02 0.00 0.00 33.50 31.61 1vje n PRO 94 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1vje n ASP 95 N 0.86 -2.19 -0.12 2.55 2.03 -1.26 -5.01 116.55 113.41 1vje n ASP 95 Ca 0.05 -3.12 0.02 0.00 0.52 0.00 0.00 54.79 52.26 1vje n ASP 95 Cb 0.36 1.21 0.33 0.00 -0.72 0.00 0.00 41.12 42.30 1vje n ASP 95 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 1vje h GLU 96 N 4.12 0.78 -0.21 -0.67 5.08 -1.98 -1.24 114.58 120.45 1vje h GLU 96 Ca -0.07 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 1vje h GLU 96 Cb 1.00 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 1vje h GLU 96 CO 0.34 0.52 0.01 0.37 -1.00 0.00 0.00 179.01 179.25 1vje h GLN 97 N 0.80 0.36 -0.88 2.33 5.75 -1.98 0.12 115.11 121.61 1vje h GLN 97 Ca 0.22 -0.11 0.01 0.00 -0.15 0.00 0.00 58.65 58.62 1vje h GLN 97 Cb -0.09 -0.04 -0.04 0.00 1.07 0.00 0.00 27.48 28.38 1vje h GLN 97 CO -0.05 0.54 0.58 0.78 -2.65 0.00 0.00 178.83 178.03 1vje h GLY 98 N 0.13 1.24 1.29 2.39 0.00 -1.91 -1.45 103.07 104.77 1vje h GLY 98 Ca 0.06 -0.46 -0.15 0.00 0.00 0.00 0.00 47.33 46.78 1vje h GLY 98 CO 0.01 0.45 -0.38 -2.08 0.00 0.00 0.00 176.54 174.54 1vje h VAL 99 N 1.19 1.28 -0.57 4.60 2.07 -1.03 -0.58 116.25 123.21 1vje h VAL 99 Ca 0.33 -1.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.29 1vje h VAL 99 Cb -0.13 1.43 -0.03 0.00 -1.52 0.00 0.00 31.29 31.04 1vje h VAL 99 CO -0.07 0.51 0.33 -0.03 0.02 0.00 0.00 177.57 178.33 1vje h MET 100 N 0.64 0.77 -0.55 1.57 -1.53 -0.43 0.26 114.93 115.66 1vje h MET 100 Ca 0.06 -0.08 -0.09 0.00 -3.44 0.00 0.00 59.70 56.15 1vje h MET 100 Cb 0.93 -0.16 -0.02 0.00 -0.55 0.00 0.00 31.60 31.80 1vje h MET 100 CO 0.09 0.57 -0.01 0.87 0.14 0.00 0.00 176.91 178.57 1vje h LYS 101 N 0.76 0.96 -0.31 0.39 1.79 -1.03 -0.30 116.57 118.82 1vje h LYS 101 Ca 0.20 -0.29 -0.04 0.00 -2.18 0.00 0.00 60.65 58.34 1vje h LYS 101 Cb 0.00 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 30.55 1vje h LYS 101 CO -0.04 0.95 0.03 0.00 -1.08 0.00 0.00 179.45 179.31 1vje h ALA 102 N 1.10 0.42 -0.70 3.86 0.00 -0.68 -2.29 119.26 120.97 1vje h ALA 102 Ca 0.16 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.86 1vje h ALA 102 Cb 0.53 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1vje h ALA 102 CO 0.03 0.14 0.46 0.35 0.00 0.00 0.00 179.25 180.23 1vje h PHE 103 N 0.35 0.89 -0.78 0.00 3.57 -0.25 0.27 116.94 120.99 1vje h PHE 103 Ca 0.09 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1vje h PHE 103 Cb 0.39 -0.30 -0.04 0.00 2.79 0.00 0.00 35.95 38.79 1vje h PHE 103 CO 0.03 0.56 0.50 1.49 -2.23 0.00 0.00 178.31 178.66 1vje h GLU 104 N 0.95 1.05 -0.33 1.11 4.81 -0.91 0.19 114.58 121.45 1vje h GLU 104 Ca 0.26 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.38 1vje h GLU 104 Cb -0.10 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.04 1vje h GLU 104 CO -0.05 0.71 0.10 0.00 -0.73 0.00 0.00 179.01 179.03 1vje h ALA 105 N 1.27 0.43 -0.46 2.92 0.00 -1.11 -1.00 119.26 121.31 1vje h ALA 105 Ca 0.29 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 1vje h ALA 105 Cb -0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1vje h ALA 105 CO -0.06 0.08 0.15 0.00 0.00 0.00 0.00 179.25 179.41 1vje h ALA 106 N 0.93 1.39 -0.21 0.00 0.00 -0.52 -1.34 119.26 119.52 1vje h ALA 106 Ca 0.10 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1vje h ALA 106 Cb 0.26 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1vje h ALA 106 CO -0.00 0.45 -0.39 -0.07 0.00 0.00 0.00 179.25 179.24 1vje h LEU 107 N 0.66 0.49 -0.61 0.00 3.38 -0.09 -0.30 115.31 118.85 1vje h LEU 107 Ca 0.16 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1vje h LEU 107 Cb 0.20 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 1vje h LEU 107 CO -0.01 0.83 0.17 0.11 0.09 0.00 0.00 178.44 179.64 1vje h LYS 108 N 0.39 0.96 -0.58 1.13 1.57 -0.63 0.23 116.57 119.64 1vje h LYS 108 Ca 0.04 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.59 1vje h LYS 108 Cb 0.86 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.01 1vje h LYS 108 CO 0.07 0.86 0.31 -0.44 -0.57 0.00 0.00 179.45 179.68 1vje h ASP 109 N 0.88 0.73 -0.27 0.86 3.45 -1.05 -1.75 116.42 119.27 1vje h ASP 109 Ca 0.19 -0.10 -0.02 0.00 0.43 0.00 0.00 57.03 57.53 1vje h ASP 109 Cb 0.32 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.89 1vje h ASP 109 CO -0.00 0.63 0.10 0.74 -1.57 0.00 0.00 179.24 179.13 1vje h THR 110 N 0.78 1.19 -0.18 0.35 2.02 -0.67 -2.06 112.91 114.34 1vje h THR 110 Ca 0.20 -0.58 -0.02 0.00 0.77 0.00 0.00 66.41 66.79 1vje h THR 110 Cb 0.06 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 1vje h THR 110 CO -0.03 0.19 0.03 0.00 0.37 0.00 0.00 175.52 176.08 1vje h ALA 111 N 0.94 1.71 -0.37 6.16 0.00 -0.32 -1.72 119.26 125.66 1vje h ALA 111 Ca 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1vje h ALA 111 Cb 0.21 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1vje h ALA 111 CO -0.01 0.22 0.00 0.41 0.00 0.00 0.00 179.25 179.88 1vje n GLY 112 N -1.25 1.04 3.55 0.00 0.00 -0.68 -4.88 105.19 102.98 1vje n GLY 112 Ca -0.00 -0.53 -0.39 0.00 0.00 0.00 0.00 46.02 45.09 1vje n GLY 112 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1vje s HIS 113 N -1.52 2.14 -0.52 1.61 2.46 -0.65 -4.79 115.29 114.02 1vje s HIS 113 Ca 0.33 0.07 0.15 0.00 0.47 0.00 0.00 55.06 56.09 1vje s HIS 113 Cb 0.18 -4.47 0.54 0.00 -0.13 0.00 0.00 32.58 28.70 1vje s HIS 113 CO 0.25 -2.09 1.45 -0.40 -2.47 0.00 0.00 174.74 171.48 1vje n ASP 114 N 10.46 3.98 -4.96 9.88 5.68 -1.26 -4.96 116.55 135.35 1vje n ASP 114 Ca 0.15 -2.67 -0.20 0.00 -0.50 0.00 0.00 54.79 51.57 1vje n ASP 114 Cb 0.50 -0.49 0.01 0.00 -1.14 0.00 0.00 41.12 40.00 1vje n ASP 114 CO 0.00 0.00 0.00 -1.10 -1.33 0.00 0.00 177.20 174.77 1vje s GLN 115 N -2.22 2.49 0.63 0.11 -1.52 -1.26 -5.07 119.66 112.82 1vje s GLN 115 Ca 0.40 -1.58 -0.19 0.00 -1.95 0.00 0.00 55.36 52.05 1vje s GLN 115 Cb 0.29 -2.51 -0.02 0.00 -0.22 0.00 0.00 33.01 30.56 1vje s GLN 115 CO 0.14 -0.49 1.30 -2.30 -0.25 0.00 0.00 175.29 173.69 1vje n PRO 116 N -1.88 1.20 -2.17 2.91 -0.02 -1.26 -4.93 135.00 128.85 1vje n PRO 116 Ca 0.08 0.46 -0.42 0.00 -2.02 0.00 0.00 63.50 61.60 1vje n PRO 116 Cb 0.61 -2.54 -0.03 0.00 -0.02 0.00 0.00 33.50 31.52 1vje n PRO 116 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1vje s ILE 117 N -1.37 3.20 0.46 4.25 1.01 -1.26 -4.96 121.20 122.52 1vje s ILE 117 Ca 0.81 0.92 -0.23 0.00 0.00 0.00 0.00 60.65 62.15 1vje s ILE 117 Cb -0.39 -3.59 -0.07 0.00 0.01 0.00 0.00 42.46 38.42 1vje s ILE 117 CO 0.41 0.11 1.20 -2.16 0.00 0.00 0.00 174.94 174.50 1vje s PRO 118 N 0.45 3.74 -1.18 2.79 0.04 -1.26 -3.57 135.00 136.01 1vje s PRO 118 Ca 0.61 1.86 0.00 0.00 0.04 0.00 0.00 61.00 63.51 1vje s PRO 118 Cb -0.37 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 31.72 1vje s PRO 118 CO 0.35 -0.59 0.00 0.41 0.04 0.00 0.00 177.00 177.21 1vje n GLY 119 N 0.52 1.01 3.31 0.56 0.00 -1.26 -4.90 105.19 104.43 1vje n GLY 119 Ca 0.07 -0.48 -0.46 0.00 0.00 0.00 0.00 46.02 45.15 1vje n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vje s VAL 120 N -2.46 5.25 -0.01 1.61 1.01 -1.23 -3.74 120.40 120.83 1vje s VAL 120 Ca 0.00 -1.61 -0.30 0.00 0.00 0.00 0.00 61.98 60.08 1vje s VAL 120 Cb 0.00 -4.35 0.10 0.00 0.00 0.00 0.00 36.38 32.13 1vje s VAL 120 CO 0.00 -0.89 1.02 -0.94 0.00 0.00 0.00 175.10 174.30 1vje s SER 121 N 3.44 -0.24 0.48 3.32 1.04 -1.26 -4.99 113.70 115.50 1vje s SER 121 Ca 0.05 -0.11 0.21 0.00 0.48 0.00 0.00 55.95 56.58 1vje s SER 121 Cb -0.28 0.33 1.23 0.00 0.10 0.00 0.00 66.02 67.40 1vje s SER 121 CO 0.02 -0.56 2.03 1.05 0.98 0.00 0.00 173.24 176.76 1vje h GLU 122 N 2.00 0.00 -0.19 4.02 4.11 -1.93 -1.20 114.58 121.39 1vje h GLU 122 Ca -0.21 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.01 1vje h GLU 122 Cb 1.22 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.48 1vje h GLU 122 CO 0.28 0.16 -0.70 -0.07 0.07 0.00 0.00 179.01 178.74 1vje h LEU 123 N 0.00 0.95 -0.66 3.06 3.38 -1.95 -3.38 115.31 116.71 1vje h LEU 123 Ca -0.00 -0.60 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1vje h LEU 123 Cb 0.34 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1vje h LEU 123 CO 0.02 1.39 -0.41 -0.62 0.09 0.00 0.00 178.44 178.91 1vje n GLU 124 N -3.97 1.81 -4.20 1.13 1.02 -1.02 -5.01 120.64 110.41 1vje n GLU 124 Ca -0.07 -0.60 -0.16 0.00 -0.02 0.00 0.00 57.16 56.31 1vje n GLU 124 Cb 0.71 -1.24 -0.14 0.00 -0.02 0.00 0.00 31.44 30.74 1vje n GLU 124 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1vje n GLY 126 N 2.70 -1.34 2.64 0.00 0.00 -1.26 -4.21 105.19 103.72 1vje n GLY 126 Ca -0.14 -0.13 -0.11 0.00 0.00 0.00 0.00 46.02 45.63 1vje n GLY 126 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1vje n ASN 127 N -1.34 -2.28 0.10 1.61 2.85 -1.26 -5.02 115.26 109.92 1vje n ASN 127 Ca 0.12 -3.22 0.10 0.00 -0.11 0.00 0.00 54.58 51.47 1vje n ASN 127 Cb 0.27 1.37 0.43 0.00 1.24 0.00 0.00 39.78 43.09 1vje n ASN 127 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1vje n TYR 128 N 1.50 0.55 1.20 1.20 0.18 -1.26 -1.86 117.16 118.67 1vje n TYR 128 Ca 0.11 0.23 0.13 0.00 1.88 0.00 0.00 57.90 60.25 1vje n TYR 128 Cb 0.62 -0.87 0.39 0.00 -0.38 0.00 0.00 39.34 39.09 1vje n TYR 128 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 1vje n ARG 129 N -2.01 0.59 -3.18 -3.48 1.74 -1.26 -4.52 116.66 104.54 1vje n ARG 129 Ca 0.02 -0.32 -0.39 0.00 -0.77 0.00 0.00 57.85 56.38 1vje n ARG 129 Cb 0.16 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.09 1vje n ARG 129 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1vje n ASP 130 N -0.92 5.56 -4.23 0.55 2.03 -0.78 -5.01 116.55 113.75 1vje n ASP 130 Ca 0.11 -3.38 -0.14 0.00 0.52 0.00 0.00 54.79 51.90 1vje n ASP 130 Cb 0.33 -1.12 -0.10 0.00 -0.72 0.00 0.00 41.12 39.52 1vje n ASP 130 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 1vje s HIS 131 N -2.51 1.20 -0.40 -0.67 3.76 -1.26 -4.52 115.29 110.90 1vje s HIS 131 Ca 0.33 -0.76 0.07 0.00 -0.15 0.00 0.00 55.06 54.54 1vje s HIS 131 Cb 0.05 -0.62 0.17 0.00 1.11 0.00 0.00 32.58 33.29 1vje s HIS 131 CO 0.05 0.05 0.56 0.34 -0.85 0.00 0.00 174.74 174.89 1vje s ASP 132 N -3.08 -0.80 0.11 1.40 -1.08 -1.21 -4.79 116.67 107.22 1vje s ASP 132 Ca 0.15 -1.01 -0.18 0.00 -0.52 0.00 0.00 52.55 50.99 1vje s ASP 132 Cb 0.02 1.58 -0.05 0.00 -1.46 0.00 0.00 42.92 43.01 1vje s ASP 132 CO -0.00 -0.19 1.64 0.25 0.52 0.00 0.00 175.17 177.39 1vje h LEU 133 N 7.00 0.41 -0.79 -1.34 5.85 -1.94 -1.56 115.31 122.95 1vje h LEU 133 Ca 0.05 -0.18 0.09 0.00 0.84 0.00 0.00 57.88 58.68 1vje h LEU 133 Cb 1.15 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 42.00 1vje h LEU 133 CO 0.13 0.47 0.45 0.00 -0.34 0.00 0.00 178.44 179.14 1vje h ALA 134 N 0.95 1.11 -0.43 1.25 0.00 -1.96 0.55 119.26 120.73 1vje h ALA 134 Ca 0.10 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 1vje h ALA 134 Cb 0.20 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1vje h ALA 134 CO -0.01 0.09 -0.29 0.00 0.00 0.00 0.00 179.25 179.04 1vje h ALA 135 N 1.43 0.67 -0.59 0.00 0.00 -1.94 -1.92 119.26 116.92 1vje h ALA 135 Ca 0.37 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1vje h ALA 135 Cb 0.32 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1vje h ALA 135 CO -0.23 0.67 0.26 0.00 0.00 0.00 0.00 179.25 179.95 1vje h ALA 136 N 0.86 0.77 -0.47 0.00 0.00 -0.59 -1.00 119.26 118.84 1vje h ALA 136 Ca 0.09 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 1vje h ALA 136 Cb 0.87 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1vje h ALA 136 CO 0.08 0.36 -0.02 0.00 0.00 0.00 0.00 179.25 179.67 1vje h ARG 137 N 0.82 0.78 -0.16 0.00 3.08 -0.74 -2.27 114.38 115.88 1vje h ARG 137 Ca 0.20 -0.22 -0.14 0.00 0.07 0.00 0.00 59.98 59.89 1vje h ARG 137 Cb 0.17 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.12 1vje h ARG 137 CO -0.02 0.80 -0.50 0.37 -1.07 0.00 0.00 179.97 179.55 1vje h GLN 138 N 0.73 0.44 -0.79 0.04 5.75 -1.00 -1.16 115.11 119.11 1vje h GLN 138 Ca 0.14 -0.25 -0.04 0.00 -0.15 0.00 0.00 58.65 58.34 1vje h GLN 138 Cb 0.47 0.02 -0.04 0.00 1.07 0.00 0.00 27.48 29.00 1vje h GLN 138 CO 0.02 0.84 0.33 0.45 -2.65 0.00 0.00 178.83 177.83 1vje h HIS 139 N 0.35 1.18 -0.20 3.99 3.86 -0.80 -0.06 115.15 123.46 1vje h HIS 139 Ca 0.02 -0.08 -0.01 0.00 -1.16 0.00 0.00 60.37 59.13 1vje h HIS 139 Cb 1.00 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 29.10 1vje h HIS 139 CO 0.03 0.88 0.07 0.00 0.86 0.00 0.00 177.93 179.77 1vje h ALA 140 N 1.22 0.26 -0.56 2.45 0.00 -1.09 -2.14 119.26 119.40 1vje h ALA 140 Ca 0.27 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.09 1vje h ALA 140 Cb 0.18 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1vje h ALA 140 CO -0.03 -0.13 0.32 0.00 0.00 0.00 0.00 179.25 179.42 1vje h ARG 141 N 0.16 0.60 -0.95 0.00 3.08 -0.77 -1.98 114.38 114.53 1vje h ARG 141 Ca 0.07 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.09 1vje h ARG 141 Cb 0.21 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.07 1vje h ARG 141 CO -0.00 0.40 0.63 -0.44 -1.07 0.00 0.00 179.97 179.49 1vje h ASP 142 N 0.62 1.09 -0.31 7.04 3.32 -0.88 0.13 116.42 127.43 1vje h ASP 142 Ca 0.24 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 1vje h ASP 142 Cb 0.08 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 1vje h ASP 142 CO -0.13 0.79 0.07 0.58 -1.72 0.00 0.00 179.24 178.83 1vje h VAL 143 N 1.29 1.23 -0.65 -1.35 2.07 -0.88 -1.40 116.25 116.55 1vje h VAL 143 Ca 0.35 -0.77 -0.06 0.00 0.82 0.00 0.00 66.70 67.04 1vje h VAL 143 Cb -0.15 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1vje h VAL 143 CO -0.08 0.25 0.17 -0.07 0.02 0.00 0.00 177.57 177.87 1vje h LEU 144 N 0.35 0.96 -0.54 2.57 3.38 -1.04 -0.16 115.31 120.83 1vje h LEU 144 Ca 0.10 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1vje h LEU 144 Cb 0.32 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1vje h LEU 144 CO 0.00 0.92 0.26 0.44 0.09 0.00 0.00 178.44 180.15 1vje h ASP 145 N 0.98 0.71 0.02 -0.43 3.32 -0.55 -3.11 116.42 117.37 1vje h ASP 145 Ca 0.21 -0.13 -0.15 0.00 0.02 0.00 0.00 57.03 56.98 1vje h ASP 145 Cb 0.33 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1vje h ASP 145 CO -0.00 0.65 -0.49 1.56 -1.72 0.00 0.00 179.24 179.24 1vje h GLN 146 N 0.73 0.53 0.00 3.56 4.20 -0.94 -3.50 115.11 119.69 1vje h GLN 146 Ca 0.19 -0.30 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1vje h GLN 146 Cb 0.13 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1vje h GLN 146 CO -0.02 0.90 0.00 0.41 -0.67 0.00 0.00 178.83 179.45 1vje n GLY 147 N 0.13 0.84 3.91 3.46 0.00 -0.10 -5.00 105.19 108.43 1vje n GLY 147 Ca -0.02 -1.39 -0.27 0.00 0.00 0.00 0.00 46.02 44.33 1vje n GLY 147 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1vje s LEU 148 N -0.32 3.84 0.15 0.99 1.43 -1.26 -4.50 118.68 119.01 1vje s LEU 148 Ca 0.00 0.78 -0.19 0.00 -1.03 0.00 0.00 54.13 53.70 1vje s LEU 148 Cb 0.00 -3.68 0.05 0.00 0.03 0.00 0.00 46.19 42.59 1vje s LEU 148 CO 0.00 -0.40 0.50 -1.59 0.23 0.00 0.00 176.35 175.08 1vje s LYS 149 N -4.27 1.21 -0.31 1.70 0.00 -1.25 -5.03 119.74 111.79 1vje s LYS 149 Ca 0.45 -0.66 -0.25 0.00 0.00 0.00 0.00 55.97 55.51 1vje s LYS 149 Cb -0.10 0.52 0.01 0.00 0.00 0.00 0.00 37.83 38.26 1vje s LYS 149 CO 0.38 -0.50 0.88 0.08 0.00 0.00 0.00 175.35 176.18 1vje s VAL 150 N -3.80 4.71 -0.17 1.79 1.01 -1.26 -1.28 120.40 121.41 1vje s VAL 150 Ca 0.04 1.37 -0.16 0.00 0.00 0.00 0.00 61.98 63.22 1vje s VAL 150 Cb 0.00 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 1vje s VAL 150 CO -0.10 -0.31 0.39 -1.58 0.00 0.00 0.00 175.10 173.49 1vje s GLN 151 N 3.16 4.25 0.54 2.72 2.00 -0.56 -4.95 119.66 126.81 1vje s GLN 151 Ca 0.36 0.24 -0.19 0.00 -2.00 0.00 0.00 55.36 53.77 1vje s GLN 151 Cb -0.14 -3.48 -0.06 0.00 0.80 0.00 0.00 33.01 30.14 1vje s GLN 151 CO 0.13 0.10 1.08 -1.21 -0.50 0.00 0.00 175.29 174.89 1vje s GLU 152 N 0.88 3.47 -0.32 1.67 2.02 -1.26 -4.59 118.70 120.57 1vje s GLU 152 Ca 0.20 1.45 -0.28 0.00 0.02 0.00 0.00 54.97 56.36 1vje s GLU 152 Cb -0.14 -2.04 0.01 0.00 0.10 0.00 0.00 34.13 32.06 1vje s GLU 152 CO 0.07 -0.72 1.02 0.99 0.02 0.00 0.00 175.26 176.63 1vje s THR 153 N -1.99 4.57 -0.30 3.63 2.01 -1.26 -4.96 115.64 117.33 1vje s THR 153 Ca 0.69 1.62 -0.10 0.00 0.31 0.00 0.00 61.69 64.21 1vje s THR 153 Cb -0.20 -4.36 -0.02 0.00 0.01 0.00 0.00 72.50 67.93 1vje s THR 153 CO 0.27 -0.43 0.17 -0.63 -0.69 0.00 0.00 174.62 173.30 1vje s ILE 154 N 3.50 4.85 0.27 1.82 -1.09 -1.26 -5.06 121.20 124.24 1vje s ILE 154 Ca 0.43 -0.22 -0.09 0.00 -2.23 0.00 0.00 60.65 58.54 1vje s ILE 154 Cb -0.13 -3.41 -0.07 0.00 -1.58 0.00 0.00 42.46 37.27 1vje s ILE 154 CO 0.15 0.13 0.59 -0.76 -1.23 0.00 0.00 174.94 173.82 1vje s LEU 155 N 1.67 4.09 0.00 2.97 1.43 -1.26 -0.29 118.68 127.28 1vje s LEU 155 Ca 0.06 0.92 0.32 0.00 -1.03 0.00 0.00 54.13 54.40 1vje s LEU 155 Cb -0.17 -3.72 1.84 0.00 0.03 0.00 0.00 46.19 44.18 1vje s LEU 155 CO 0.08 -0.16 2.19 0.18 0.23 0.00 0.00 176.35 178.87