#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bcm s PHE 2 N 0.00 3.58 -0.27 -1.42 5.36 -1.26 -1.41 117.98 122.56 2bcm s PHE 2 Ca 0.00 1.47 -0.04 0.00 -0.96 0.00 0.00 56.93 57.40 2bcm s PHE 2 Cb 0.00 -3.00 0.02 0.00 -0.34 0.00 0.00 43.02 39.69 2bcm s PHE 2 CO 0.00 -0.04 -0.00 -0.65 -1.46 0.00 0.00 175.22 173.07 2bcm s GLN 3 N 1.22 2.97 0.13 10.12 -1.52 0.12 -4.99 119.66 127.71 2bcm s GLN 3 Ca 0.45 -0.91 -0.31 0.00 -1.95 0.00 0.00 55.36 52.63 2bcm s GLN 3 Cb -0.19 -3.14 -0.09 0.00 -0.22 0.00 0.00 33.01 29.37 2bcm s GLN 3 CO 0.21 -0.41 1.47 0.00 -0.25 0.00 0.00 175.29 176.32 2bcm s ALA 4 N 1.40 3.67 -0.31 6.09 0.00 -1.26 -1.47 121.76 129.88 2bcm s ALA 4 Ca 0.01 1.22 -0.06 0.00 0.00 0.00 0.00 51.96 53.13 2bcm s ALA 4 Cb -0.17 -3.58 0.19 0.00 0.00 0.00 0.00 23.12 19.56 2bcm s ALA 4 CO -0.02 -0.71 0.92 0.45 0.00 0.00 0.00 175.76 176.41 2bcm s SER 5 N 1.20 -0.73 0.00 0.00 0.15 -0.61 -4.92 113.70 108.79 2bcm s SER 5 Ca 0.67 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 57.29 2bcm s SER 5 Cb -0.40 1.32 0.00 0.00 -1.71 0.00 0.00 66.02 65.23 2bcm s SER 5 CO 0.31 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 175.24 2bcm n GLY 6 N 4.85 0.93 3.99 9.45 0.00 -1.22 -3.24 105.19 119.95 2bcm n GLY 6 Ca 0.08 -1.95 -0.19 0.00 0.00 0.00 0.00 46.02 43.96 2bcm n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2bcm s THR 7 N -1.81 2.60 -0.11 2.61 -4.23 -1.26 -4.60 115.64 108.85 2bcm s THR 7 Ca 0.00 -1.08 0.01 0.00 -1.18 0.00 0.00 61.69 59.44 2bcm s THR 7 Cb 0.00 -2.68 -0.01 0.00 1.34 0.00 0.00 72.50 71.14 2bcm s THR 7 CO 0.00 0.00 -0.15 -0.89 -0.54 0.00 0.00 174.62 173.04 2bcm s THR 8 N -2.49 2.87 -0.08 3.99 2.01 -1.26 -0.80 115.64 119.88 2bcm s THR 8 Ca 0.55 -0.74 0.04 0.00 0.31 0.00 0.00 61.69 61.85 2bcm s THR 8 Cb -0.07 -2.17 -0.01 0.00 0.01 0.00 0.00 72.50 70.26 2bcm s THR 8 CO 0.33 0.54 -0.20 -0.83 -0.69 0.00 0.00 174.62 173.77 2bcm s GLY 9 N 0.13 1.40 -0.10 4.40 0.00 -0.24 -4.97 107.32 107.93 2bcm s GLY 9 Ca -0.08 -0.98 -0.09 0.00 0.00 0.00 0.00 44.72 43.57 2bcm s GLY 9 CO 0.05 -0.49 0.20 -0.42 0.00 0.00 0.00 173.10 172.44 2bcm s ILE 10 N -0.02 5.40 -0.07 0.90 1.01 -1.26 -1.40 121.20 125.75 2bcm s ILE 10 Ca -0.06 0.35 0.05 0.00 0.00 0.00 0.00 60.65 60.99 2bcm s ILE 10 Cb -0.15 -3.48 -0.01 0.00 0.01 0.00 0.00 42.46 38.84 2bcm s ILE 10 CO 0.05 0.59 -0.25 -0.89 0.00 0.00 0.00 174.94 174.44 2bcm s THR 11 N -0.86 2.06 -0.00 2.92 2.01 -0.12 -4.98 115.64 116.67 2bcm s THR 11 Ca 0.16 -1.05 0.05 0.00 0.31 0.00 0.00 61.69 61.16 2bcm s THR 11 Cb -0.13 -1.75 -0.01 0.00 0.01 0.00 0.00 72.50 70.61 2bcm s THR 11 CO 0.05 0.57 -0.17 -0.89 -0.69 0.00 0.00 174.62 173.49 2bcm s THR 12 N -0.02 1.33 -0.03 -0.82 2.01 -1.26 -0.97 115.64 115.88 2bcm s THR 12 Ca -0.08 -0.77 0.01 0.00 0.31 0.00 0.00 61.69 61.15 2bcm s THR 12 Cb -0.15 -1.12 0.02 0.00 0.01 0.00 0.00 72.50 71.26 2bcm s THR 12 CO 0.05 0.34 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.08 2bcm s LEU 13 N -0.50 1.30 -0.23 4.42 2.96 -0.11 -4.41 118.68 122.11 2bcm s LEU 13 Ca 0.06 -0.08 -0.07 0.00 -0.22 0.00 0.00 54.13 53.82 2bcm s LEU 13 Cb -0.07 -0.32 -0.03 0.00 0.50 0.00 0.00 46.19 46.27 2bcm s LEU 13 CO -0.00 -0.07 0.07 -0.89 -1.32 0.00 0.00 176.35 174.14 2bcm s THR 14 N 0.89 4.47 -0.07 3.68 2.01 -0.52 -0.48 115.64 125.61 2bcm s THR 14 Ca -0.10 -0.13 -0.18 0.00 0.31 0.00 0.00 61.69 61.59 2bcm s THR 14 Cb -0.13 -3.07 -0.05 0.00 0.01 0.00 0.00 72.50 69.26 2bcm s THR 14 CO -0.01 0.37 0.49 -0.69 -0.69 0.00 0.00 174.62 174.09 2bcm s VAL 15 N 1.26 5.10 0.42 3.82 1.01 -0.01 -1.58 120.40 130.41 2bcm s VAL 15 Ca 0.05 1.00 0.03 0.00 0.00 0.00 0.00 61.98 63.06 2bcm s VAL 15 Cb -0.15 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 2bcm s VAL 15 CO 0.04 0.39 0.10 0.42 0.00 0.00 0.00 175.10 176.05 2bcm s THR 16 N 0.15 0.74 0.91 3.92 -4.23 -0.36 -1.74 115.64 115.03 2bcm s THR 16 Ca 0.27 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.65 2bcm s THR 16 Cb -0.16 -2.37 0.20 0.00 1.34 0.00 0.00 72.50 71.51 2bcm s THR 16 CO 0.12 0.00 1.23 -0.62 -0.54 0.00 0.00 174.62 174.82 2bcm n GLU 17 N -0.94 -0.98 -0.20 3.99 -0.58 -1.26 -1.74 120.64 118.93 2bcm n GLU 17 Ca -0.07 -2.21 -0.07 0.00 -0.42 0.00 0.00 57.16 54.38 2bcm n GLU 17 Cb 0.65 -1.17 0.08 0.00 -0.57 0.00 0.00 31.44 30.43 2bcm n GLU 17 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 2bcm h GLU 18 N 0.00 1.01 -5.65 3.49 4.57 -1.97 -3.38 114.58 112.65 2bcm h GLU 18 Ca -0.40 -0.28 -0.60 0.00 -1.18 0.00 0.00 59.36 56.90 2bcm h GLU 18 Cb 1.18 -0.11 -0.10 0.00 -0.16 0.00 0.00 28.75 29.56 2bcm h GLU 18 CO 0.31 0.96 0.14 0.00 -1.18 0.00 0.00 179.01 179.24 2bcm s ARG 20 N 1.99 0.54 -0.14 0.00 3.03 -1.26 -5.07 118.95 118.05 2bcm s ARG 20 Ca 0.29 -0.58 0.01 0.00 2.03 0.00 0.00 55.73 57.47 2bcm s ARG 20 Cb -0.16 0.22 0.02 0.00 -1.03 0.00 0.00 34.95 34.00 2bcm s ARG 20 CO 0.10 -0.14 -0.14 0.08 -1.13 0.00 0.00 175.30 174.07 2bcm s VAL 21 N -2.02 1.54 -0.16 4.99 1.01 -1.26 -5.11 120.40 119.39 2bcm s VAL 21 Ca -0.10 -0.62 -0.20 0.00 0.00 0.00 0.00 61.98 61.06 2bcm s VAL 21 Cb -0.04 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.86 2bcm s VAL 21 CO -0.02 0.45 0.57 -1.10 0.00 0.00 0.00 175.10 175.00 2bcm s GLN 22 N 1.39 4.27 -0.14 2.72 -0.21 -1.26 -5.06 119.66 121.37 2bcm s GLN 22 Ca 0.03 0.55 0.02 0.00 0.02 0.00 0.00 55.36 55.98 2bcm s GLN 22 Cb -0.13 -3.51 0.01 0.00 1.00 0.00 0.00 33.01 30.37 2bcm s GLN 22 CO -0.09 -0.06 -0.22 0.08 -2.12 0.00 0.00 175.29 172.88 2bcm s VAL 23 N 1.32 2.07 0.00 1.09 1.01 -1.26 -5.01 120.40 119.62 2bcm s VAL 23 Ca 0.28 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.28 2bcm s VAL 23 Cb -0.16 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.40 2bcm s VAL 23 CO 0.11 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.37 2bcm n GLY 24 N 4.08 0.54 3.76 4.51 0.00 -1.26 -4.89 105.19 111.93 2bcm n GLY 24 Ca -0.20 -1.16 -0.38 0.00 0.00 0.00 0.00 46.02 44.27 2bcm n GLY 24 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bcm s ASN 25 N -4.00 6.00 0.08 1.61 0.01 -1.26 -4.92 114.94 112.46 2bcm s ASN 25 Ca 0.00 2.56 -0.31 0.00 -0.71 0.00 0.00 52.86 54.41 2bcm s ASN 25 Cb 0.00 -2.63 -0.07 0.00 0.41 0.00 0.00 41.25 38.96 2bcm s ASN 25 CO 0.00 -1.05 1.38 -0.69 -1.51 0.00 0.00 177.10 175.23 2bcm s VAL 26 N -1.37 3.46 0.20 1.60 1.01 -1.26 -5.01 120.40 119.02 2bcm s VAL 26 Ca 0.63 1.00 -0.01 0.00 0.00 0.00 0.00 61.98 63.60 2bcm s VAL 26 Cb -0.35 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 2bcm s VAL 26 CO 0.44 0.06 0.12 0.42 0.00 0.00 0.00 175.10 176.14 2bcm s THR 27 N 1.47 0.02 0.10 3.92 -4.23 -1.26 -5.13 115.64 110.53 2bcm s THR 27 Ca 0.64 -1.99 -0.30 0.00 -1.18 0.00 0.00 61.69 58.86 2bcm s THR 27 Cb -0.35 -2.47 -0.06 0.00 1.34 0.00 0.00 72.50 70.96 2bcm s THR 27 CO 0.29 -0.04 1.12 0.00 -0.54 0.00 0.00 174.62 175.46 2bcm s ALA 28 N -4.14 3.35 0.04 3.99 0.00 -1.26 -5.00 121.76 118.73 2bcm s ALA 28 Ca 0.38 0.78 0.02 0.00 0.00 0.00 0.00 51.96 53.14 2bcm s ALA 28 Cb 0.07 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 2bcm s ALA 28 CO 0.11 -0.31 -0.08 0.95 0.00 0.00 0.00 175.76 176.44 2bcm s THR 29 N 0.51 0.54 -0.05 0.00 -4.23 -1.26 -1.44 115.64 109.71 2bcm s THR 29 Ca 0.54 -1.02 -0.02 0.00 -1.18 0.00 0.00 61.69 60.01 2bcm s THR 29 Cb -0.28 -0.59 0.03 0.00 1.34 0.00 0.00 72.50 72.99 2bcm s THR 29 CO 0.31 -0.34 0.11 -0.76 -0.54 0.00 0.00 174.62 173.40 2bcm s LEU 30 N -1.47 1.05 0.61 4.79 1.43 -0.61 -4.95 118.68 119.53 2bcm s LEU 30 Ca -0.09 0.22 -0.18 0.00 -1.03 0.00 0.00 54.13 53.05 2bcm s LEU 30 Cb -0.09 0.27 -0.03 0.00 0.03 0.00 0.00 46.19 46.37 2bcm s LEU 30 CO 0.00 -0.11 1.20 0.00 0.23 0.00 0.00 176.35 177.67 2bcm s ALA 31 N 0.83 2.50 0.27 4.21 0.00 -1.26 -1.22 121.76 127.09 2bcm s ALA 31 Ca -0.06 0.97 -0.00 0.00 0.00 0.00 0.00 51.96 52.86 2bcm s ALA 31 Cb -0.09 -3.44 0.57 0.00 0.00 0.00 0.00 23.12 20.16 2bcm s ALA 31 CO -0.04 -1.23 1.74 0.00 0.00 0.00 0.00 175.76 176.23 2bcm h ARG 32 N 0.73 0.51 0.00 0.00 3.08 -1.64 0.16 114.38 117.22 2bcm h ARG 32 Ca -0.50 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.52 2bcm h ARG 32 Cb 1.29 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.23 2bcm h ARG 32 CO 0.55 0.34 0.00 -1.13 -1.07 0.00 0.00 179.97 178.65 2bcm n SER 33 N -4.95 0.39 -1.10 7.04 3.41 -1.26 -2.09 113.62 115.06 2bcm n SER 33 Ca 0.18 0.62 0.11 0.00 -0.26 0.00 0.00 58.87 59.52 2bcm n SER 33 Cb 0.49 -0.70 0.27 0.00 -0.26 0.00 0.00 64.21 64.01 2bcm n SER 33 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2bcm n LYS 34 N -1.96 2.41 -1.81 4.33 4.76 0.57 -4.69 118.16 121.76 2bcm n LYS 34 Ca 0.01 -2.16 -0.41 0.00 -2.87 0.00 0.00 58.31 52.89 2bcm n LYS 34 Cb 0.14 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 31.83 2bcm n LYS 34 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2bcm n LEU 35 N 1.31 7.48 -4.82 -0.35 4.77 -0.89 -4.87 117.00 119.63 2bcm n LEU 35 Ca 0.20 -4.44 -0.30 0.00 -0.03 0.00 0.00 56.01 51.44 2bcm n LEU 35 Cb 0.55 -1.54 -0.06 0.00 -2.33 0.00 0.00 43.42 40.04 2bcm n LEU 35 CO 0.15 1.57 -0.23 -0.54 -1.33 0.00 0.00 177.39 177.01 2bcm s LYS 36 N 1.57 3.04 0.09 3.23 -0.14 -1.26 -0.39 119.74 125.88 2bcm s LYS 36 Ca 0.52 -0.62 -0.36 0.00 -1.36 0.00 0.00 55.97 54.15 2bcm s LYS 36 Cb 0.15 -2.81 -0.18 0.00 -1.68 0.00 0.00 37.83 33.30 2bcm s LYS 36 CO -0.06 0.58 1.05 -3.47 -0.76 0.00 0.00 175.35 172.68 2bcm n ASP 37 N 0.38 0.38 0.00 2.83 4.64 -1.26 -1.73 116.55 121.80 2bcm n ASP 37 Ca -0.08 1.14 0.00 0.00 -1.38 0.00 0.00 54.79 54.48 2bcm n ASP 37 Cb 0.52 -1.04 0.00 0.00 -1.04 0.00 0.00 41.12 39.56 2bcm n ASP 37 CO 0.00 0.00 0.00 0.47 -0.82 0.00 0.00 177.20 176.85 2bcm n ASP 38 N 1.87 -1.91 -4.71 1.67 8.00 0.04 -4.95 116.55 116.55 2bcm n ASP 38 Ca 0.18 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.26 2bcm n ASP 38 Cb 0.16 -0.78 -0.03 0.00 -0.02 0.00 0.00 41.12 40.45 2bcm n ASP 38 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2bcm s THR 39 N -2.57 3.33 0.22 -3.53 2.01 -0.70 -4.69 115.64 109.70 2bcm s THR 39 Ca 0.00 0.95 -0.30 0.00 0.31 0.00 0.00 61.69 62.64 2bcm s THR 39 Cb 0.00 -3.61 -0.09 0.00 0.01 0.00 0.00 72.50 68.81 2bcm s THR 39 CO 0.00 0.07 1.40 0.00 -0.69 0.00 0.00 174.62 175.40 2bcm s ALA 40 N 1.16 3.60 -0.20 7.40 0.00 -1.26 -0.79 121.76 131.68 2bcm s ALA 40 Ca 0.65 1.25 -0.07 0.00 0.00 0.00 0.00 51.96 53.78 2bcm s ALA 40 Cb -0.37 -3.54 -0.09 0.00 0.00 0.00 0.00 23.12 19.12 2bcm s ALA 40 CO 0.30 -0.67 -0.23 -0.89 0.00 0.00 0.00 175.76 174.27 2bcm n ILE 41 N 2.66 1.08 -3.97 0.00 5.41 -0.03 -4.90 119.36 119.61 2bcm n ILE 41 Ca 0.07 -0.31 0.03 0.00 1.00 0.00 0.00 62.75 63.54 2bcm n ILE 41 Cb 0.41 -1.62 0.01 0.00 -0.71 0.00 0.00 39.64 37.73 2bcm n ILE 41 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2bcm s GLY 42 N -5.47 -0.15 0.10 7.39 0.00 -1.05 -4.89 107.32 103.26 2bcm s GLY 42 Ca -0.27 0.09 0.04 0.00 0.00 0.00 0.00 44.72 44.57 2bcm s GLY 42 CO 0.37 5.43 -0.10 -1.34 0.00 0.00 0.00 173.10 177.45 2bcm s VAL 43 N -2.04 0.99 -0.01 1.40 -7.23 -1.26 -1.03 120.40 111.21 2bcm s VAL 43 Ca 0.29 -1.68 0.02 0.00 -1.81 0.00 0.00 61.98 58.80 2bcm s VAL 43 Cb -0.00 -1.41 0.00 0.00 0.56 0.00 0.00 36.38 35.53 2bcm s VAL 43 CO -0.01 -0.56 -0.05 -0.51 -0.31 0.00 0.00 175.10 173.65 2bcm s ILE 44 N -2.49 0.47 0.28 -0.62 2.07 -0.26 -4.96 121.20 115.69 2bcm s ILE 44 Ca 0.07 -0.21 -0.29 0.00 -1.41 0.00 0.00 60.65 58.80 2bcm s ILE 44 Cb -0.03 -0.43 -0.09 0.00 0.13 0.00 0.00 42.46 42.04 2bcm s ILE 44 CO 0.00 0.15 1.07 -0.83 -1.91 0.00 0.00 174.94 173.43 2bcm s GLY 45 N 0.13 3.07 -0.04 1.50 0.00 -1.26 -0.97 107.32 109.75 2bcm s GLY 45 Ca -0.01 0.85 -0.01 0.00 0.00 0.00 0.00 44.72 45.55 2bcm s GLY 45 CO -0.00 1.45 0.08 0.14 0.00 0.00 0.00 173.10 174.77 2bcm s VAL 46 N -1.17 -0.08 -0.09 1.40 1.01 -0.42 -4.93 120.40 116.12 2bcm s VAL 46 Ca 0.44 0.24 -0.01 0.00 0.00 0.00 0.00 61.98 62.65 2bcm s VAL 46 Cb -0.31 -0.15 0.03 0.00 0.00 0.00 0.00 36.38 35.95 2bcm s VAL 46 CO 0.39 0.10 -0.00 -0.89 0.00 0.00 0.00 175.10 174.70 2bcm s THR 47 N 1.33 0.44 -0.23 3.92 2.01 -1.26 -1.20 115.64 120.65 2bcm s THR 47 Ca -0.07 0.02 -0.09 0.00 0.31 0.00 0.00 61.69 61.86 2bcm s THR 47 Cb -0.12 -0.63 -0.04 0.00 0.01 0.00 0.00 72.50 71.72 2bcm s THR 47 CO -0.04 0.22 0.11 0.00 -0.69 0.00 0.00 174.62 174.22 2bcm s ALA 48 N 1.94 3.44 0.04 7.40 0.00 0.12 -5.00 121.76 129.69 2bcm s ALA 48 Ca 0.04 -0.92 0.05 0.00 0.00 0.00 0.00 51.96 51.13 2bcm s ALA 48 Cb -0.13 -2.17 -0.02 0.00 0.00 0.00 0.00 23.12 20.80 2bcm s ALA 48 CO -0.06 -0.19 -0.15 -0.51 0.00 0.00 0.00 175.76 174.85 2bcm s LEU 49 N 1.06 2.16 -0.98 0.00 1.02 -1.26 -2.64 118.68 118.04 2bcm s LEU 49 Ca 0.06 -0.45 0.00 0.00 0.02 0.00 0.00 54.13 53.75 2bcm s LEU 49 Cb -0.14 -0.68 0.00 0.00 0.02 0.00 0.00 46.19 45.40 2bcm s LEU 49 CO 0.04 0.06 0.00 0.61 0.02 0.00 0.00 176.35 177.08 2bcm n GLY 50 N 1.95 0.72 1.05 -3.19 0.00 -1.26 -4.93 105.19 99.53 2bcm n GLY 50 Ca -0.18 -0.54 -0.01 0.00 0.00 0.00 0.00 46.02 45.29 2bcm n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bcm n ASN 52 N -1.02 1.68 0.00 0.00 2.85 -1.26 -1.07 115.26 116.44 2bcm n ASN 52 Ca 0.30 1.12 0.00 0.00 -0.11 0.00 0.00 54.58 55.89 2bcm n ASN 52 Cb 0.99 -1.19 0.00 0.00 1.24 0.00 0.00 39.78 40.82 2bcm n ASN 52 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2bcm n GLY 53 N 2.59 1.43 3.27 8.20 0.00 -1.26 -4.89 105.19 114.53 2bcm n GLY 53 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 2bcm n GLY 53 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bcm s LEU 54 N 0.00 2.30 -0.24 0.99 1.43 -0.23 -4.85 118.68 118.08 2bcm s LEU 54 Ca 0.00 -0.68 -0.18 0.00 -1.03 0.00 0.00 54.13 52.24 2bcm s LEU 54 Cb 0.00 -0.83 -0.03 0.00 0.03 0.00 0.00 46.19 45.37 2bcm s LEU 54 CO 0.00 0.03 0.51 -1.10 0.23 0.00 0.00 176.35 176.03 2bcm s GLN 55 N -1.90 4.11 0.57 1.70 -0.21 -1.25 -1.01 119.66 121.68 2bcm s GLN 55 Ca 0.05 0.35 -0.21 0.00 0.02 0.00 0.00 55.36 55.57 2bcm s GLN 55 Cb -0.10 -3.62 -0.04 0.00 1.00 0.00 0.00 33.01 30.25 2bcm s GLN 55 CO 0.04 -0.27 1.31 0.00 -2.12 0.00 0.00 175.29 174.25 2bcm n ALA 56 N 5.24 1.37 -3.00 6.09 0.00 -1.26 -0.50 120.51 128.45 2bcm n ALA 56 Ca -0.04 0.09 -0.11 0.00 0.00 0.00 0.00 53.44 53.37 2bcm n ALA 56 Cb 0.50 -2.33 -0.07 0.00 0.00 0.00 0.00 19.45 17.56 2bcm n ALA 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bcm s ALA 57 N -1.32 -0.77 0.02 0.00 0.00 -0.33 -0.65 121.76 118.70 2bcm s ALA 57 Ca 0.74 0.02 0.08 0.00 0.00 0.00 0.00 51.96 52.80 2bcm s ALA 57 Cb -0.41 0.41 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 2bcm s ALA 57 CO 0.47 -0.48 -0.23 -0.51 0.00 0.00 0.00 175.76 175.01 2bcm s LEU 58 N -2.26 2.13 -0.07 0.00 1.43 0.17 -1.28 118.68 118.80 2bcm s LEU 58 Ca -0.03 -0.51 0.05 0.00 -1.03 0.00 0.00 54.13 52.61 2bcm s LEU 58 Cb 0.00 -1.14 -0.00 0.00 0.03 0.00 0.00 46.19 45.08 2bcm s LEU 58 CO -0.05 0.23 -0.22 -1.58 0.23 0.00 0.00 176.35 174.96 2bcm s GLN 59 N -0.99 2.51 0.49 1.70 0.74 0.08 -0.97 119.66 123.21 2bcm s GLN 59 Ca 0.09 -0.79 -0.16 0.00 0.05 0.00 0.00 55.36 54.55 2bcm s GLN 59 Cb -0.09 -2.02 -0.08 0.00 1.10 0.00 0.00 33.01 31.92 2bcm s GLN 59 CO 0.01 0.24 0.95 0.00 -0.55 0.00 0.00 175.29 175.94 2bcm s ALA 60 N 0.16 3.10 0.62 1.58 0.00 0.12 -0.84 121.76 126.49 2bcm s ALA 60 Ca -0.11 0.15 -0.19 0.00 0.00 0.00 0.00 51.96 51.82 2bcm s ALA 60 Cb -0.15 -3.07 -0.02 0.00 0.00 0.00 0.00 23.12 19.88 2bcm s ALA 60 CO 0.05 -0.17 1.26 -0.51 0.00 0.00 0.00 175.76 176.40 2bcm s ASP 61 N -2.99 4.90 0.62 0.00 -0.00 -1.19 -4.90 116.67 113.12 2bcm s ASP 61 Ca 0.58 2.54 0.35 0.00 -0.00 0.00 0.00 52.55 56.02 2bcm s ASP 61 Cb -0.10 -2.61 2.03 0.00 -0.00 0.00 0.00 42.92 42.24 2bcm s ASP 61 CO 0.29 -1.80 2.28 1.55 -0.00 0.00 0.00 175.17 177.49 2bcm h PRO 62 N 0.76 0.00 -0.61 8.23 0.13 -1.96 -2.50 132.00 136.05 2bcm h PRO 62 Ca -0.51 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 2bcm h PRO 62 Cb 1.32 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.43 2bcm h PRO 62 CO 0.54 0.00 0.03 -0.40 -0.23 0.00 0.00 178.00 177.94 2bcm n ASP 63 N -3.53 5.58 -0.31 1.44 3.85 -1.26 -3.85 116.55 118.47 2bcm n ASP 63 Ca -0.03 -2.95 0.04 0.00 -0.71 0.00 0.00 54.79 51.14 2bcm n ASP 63 Cb 0.11 -0.69 0.04 0.00 -1.35 0.00 0.00 41.12 39.23 2bcm n ASP 63 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 2bcm n ASN 64 N 0.53 1.79 -4.03 -1.12 4.13 -0.94 -4.93 115.26 110.69 2bcm n ASN 64 Ca 0.29 -1.43 -0.09 0.00 1.68 0.00 0.00 54.58 55.02 2bcm n ASN 64 Cb 1.21 -0.03 -0.08 0.00 -1.54 0.00 0.00 39.78 39.34 2bcm n ASN 64 CO 0.00 0.00 0.00 -0.72 0.28 0.00 0.00 177.26 176.82 2bcm s TYR 65 N -0.68 0.55 0.00 3.10 1.13 -1.25 0.16 117.35 120.37 2bcm s TYR 65 Ca 0.10 -0.93 0.00 0.00 -1.41 0.00 0.00 57.07 54.83 2bcm s TYR 65 Cb 0.06 -0.21 0.00 0.00 -1.10 0.00 0.00 41.96 40.71 2bcm s TYR 65 CO 0.09 -0.64 0.00 -0.40 -2.51 0.00 0.00 175.55 172.10 2bcm n ASP 66 N -0.16 0.00 0.26 -0.18 3.85 -0.95 -4.93 116.55 114.44 2bcm n ASP 66 Ca -0.07 -0.87 0.15 0.00 -0.71 0.00 0.00 54.79 53.29 2bcm n ASP 66 Cb 0.63 0.00 0.85 0.00 -1.35 0.00 0.00 41.12 41.25 2bcm n ASP 66 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2bcm h ALA 67 N 1.04 1.69 0.00 2.12 0.00 -2.00 -3.33 119.26 118.77 2bcm h ALA 67 Ca 0.00 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.81 2bcm h ALA 67 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 2bcm h ALA 67 CO 0.00 -0.10 -1.35 2.41 0.00 0.00 0.00 179.25 180.21 2bcm n THR 68 N -3.94 0.35 -4.34 0.00 -1.04 -1.26 -4.75 114.28 99.30 2bcm n THR 68 Ca -0.01 -0.17 -0.26 0.00 -2.04 0.00 0.00 64.05 61.56 2bcm n THR 68 Cb 0.16 -0.79 -0.13 0.00 -1.82 0.00 0.00 70.33 67.75 2bcm n THR 68 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 2bcm s ASN 69 N -4.16 2.96 -0.07 8.00 0.01 -1.25 -5.00 114.94 115.43 2bcm s ASN 69 Ca -0.06 -0.73 -0.14 0.00 -0.71 0.00 0.00 52.86 51.23 2bcm s ASN 69 Cb 0.02 -0.18 -0.05 0.00 0.41 0.00 0.00 41.25 41.45 2bcm s ASN 69 CO 0.17 0.12 0.35 -0.22 -1.51 0.00 0.00 177.10 176.01 2bcm s LEU 70 N -2.03 4.39 -0.04 0.60 2.96 -1.26 -2.24 118.68 121.07 2bcm s LEU 70 Ca 0.11 0.78 -0.09 0.00 -0.22 0.00 0.00 54.13 54.70 2bcm s LEU 70 Cb -0.10 -2.48 0.01 0.00 0.50 0.00 0.00 46.19 44.13 2bcm s LEU 70 CO 0.05 0.25 0.21 -0.72 -1.32 0.00 0.00 176.35 174.82 2bcm s TYR 71 N -0.54 -0.12 0.42 5.38 -0.85 0.12 -1.07 117.35 120.70 2bcm s TYR 71 Ca 0.21 0.24 -0.22 0.00 -0.52 0.00 0.00 57.07 56.78 2bcm s TYR 71 Cb -0.15 0.03 -0.10 0.00 0.38 0.00 0.00 41.96 42.13 2bcm s TYR 71 CO 0.10 -0.24 1.00 -1.64 -1.52 0.00 0.00 175.55 173.24 2bcm s MET 72 N -0.78 4.17 0.01 -3.49 -1.94 -0.10 -4.63 119.30 112.54 2bcm s MET 72 Ca -0.09 1.32 0.05 0.00 -1.71 0.00 0.00 55.69 55.26 2bcm s MET 72 Cb -0.05 -2.36 -0.02 0.00 2.01 0.00 0.00 34.83 34.41 2bcm s MET 72 CO 0.02 -0.10 -0.16 0.95 -0.01 0.00 0.00 175.02 175.72 2bcm s THR 73 N -1.89 1.24 0.79 2.05 -4.23 -0.21 -0.90 115.64 112.49 2bcm s THR 73 Ca 0.60 -0.82 -0.06 0.00 -1.18 0.00 0.00 61.69 60.23 2bcm s THR 73 Cb -0.16 -1.06 0.14 0.00 1.34 0.00 0.00 72.50 72.76 2bcm s THR 73 CO 0.20 0.23 1.09 -0.94 -0.54 0.00 0.00 174.62 174.67 2bcm s SER 74 N -0.68 4.05 0.60 3.99 1.04 -0.37 -1.40 113.70 120.94 2bcm s SER 74 Ca 0.05 -0.05 0.38 0.00 0.48 0.00 0.00 55.95 56.81 2bcm s SER 74 Cb -0.07 -0.28 1.82 0.00 0.10 0.00 0.00 66.02 67.60 2bcm s SER 74 CO 0.00 -2.08 2.15 -0.09 0.98 0.00 0.00 173.24 174.21 2bcm h ARG 75 N -0.87 0.00 -0.67 4.02 2.43 -1.91 -0.70 114.38 116.69 2bcm h ARG 75 Ca -0.40 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 2bcm h ARG 75 Cb 1.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 2bcm h ARG 75 CO 0.43 0.01 0.00 0.09 -1.51 0.00 0.00 179.97 178.98 2bcm n ASN 76 N -3.12 4.88 -1.71 -3.80 3.02 -1.26 -4.94 115.26 108.34 2bcm n ASN 76 Ca -0.01 -2.46 -0.17 0.00 -0.03 0.00 0.00 54.58 51.91 2bcm n ASN 76 Cb 0.20 -0.59 -0.03 0.00 -0.61 0.00 0.00 39.78 38.75 2bcm n ASN 76 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 2bcm n HIS 77 N 1.17 -0.49 -1.94 3.10 -0.00 -0.27 -4.99 115.22 111.80 2bcm n HIS 77 Ca 0.26 0.00 -0.39 0.00 0.46 0.00 0.00 57.72 58.05 2bcm n HIS 77 Cb 0.91 -3.26 0.01 0.00 -0.12 0.00 0.00 29.99 27.53 2bcm n HIS 77 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2bcm s ASP 79 N -2.46 5.98 -0.16 0.26 1.11 -1.26 -4.81 116.67 115.33 2bcm s ASP 79 Ca 0.00 2.73 0.01 0.00 0.18 0.00 0.00 52.55 55.47 2bcm s ASP 79 Cb 0.00 -2.64 0.02 0.00 1.07 0.00 0.00 42.92 41.37 2bcm s ASP 79 CO 0.00 -1.08 -0.19 -0.54 1.18 0.00 0.00 175.17 174.54 2bcm s LYS 80 N -2.46 2.81 -0.38 8.23 1.02 -1.26 -1.24 119.74 126.47 2bcm s LYS 80 Ca 0.61 -0.76 -0.09 0.00 0.02 0.00 0.00 55.97 55.75 2bcm s LYS 80 Cb -0.40 -2.41 0.05 0.00 -0.52 0.00 0.00 37.83 34.55 2bcm s LYS 80 CO 0.50 -0.17 0.19 -1.17 -0.92 0.00 0.00 175.35 173.78 2bcm s LEU 81 N 1.22 4.76 0.19 3.17 2.96 -0.08 -4.96 118.68 125.94 2bcm s LEU 81 Ca 0.02 -1.24 -0.31 0.00 -0.22 0.00 0.00 54.13 52.39 2bcm s LEU 81 Cb -0.14 -1.96 -0.09 0.00 0.50 0.00 0.00 46.19 44.50 2bcm s LEU 81 CO -0.10 -0.42 1.43 0.20 -1.32 0.00 0.00 176.35 176.14 2bcm s ASN 82 N 1.71 6.73 0.23 3.68 0.01 -1.26 -0.93 114.94 125.11 2bcm s ASN 82 Ca 0.01 2.52 0.01 0.00 -0.71 0.00 0.00 52.86 54.69 2bcm s ASN 82 Cb -0.21 -2.60 -0.05 0.00 0.41 0.00 0.00 41.25 38.80 2bcm s ASN 82 CO 0.04 -0.68 0.07 0.68 -1.51 0.00 0.00 177.10 175.70 2bcm s VAL 83 N 0.56 0.58 0.05 1.60 -7.23 -0.23 -1.35 120.40 114.38 2bcm s VAL 83 Ca 0.63 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.80 2bcm s VAL 83 Cb -0.40 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.00 2bcm s VAL 83 CO 0.36 -0.12 -0.04 -1.59 -0.31 0.00 0.00 175.10 173.40 2bcm s LYS 84 N -4.01 0.59 -0.06 4.82 -2.85 -0.10 -4.34 119.74 113.79 2bcm s LYS 84 Ca 0.34 -1.08 0.04 0.00 -1.00 0.00 0.00 55.97 54.26 2bcm s LYS 84 Cb 0.07 0.06 -0.02 0.00 -2.06 0.00 0.00 37.83 35.88 2bcm s LYS 84 CO 0.11 -0.06 -0.16 -0.51 0.10 0.00 0.00 175.35 174.82 2bcm s LEU 85 N -2.54 2.59 -0.14 2.77 1.43 -1.26 -1.61 118.68 119.93 2bcm s LEU 85 Ca 0.02 -0.28 -0.07 0.00 -1.03 0.00 0.00 54.13 52.77 2bcm s LEU 85 Cb 0.02 -1.53 0.06 0.00 0.03 0.00 0.00 46.19 44.77 2bcm s LEU 85 CO -0.06 0.30 0.32 -0.75 0.23 0.00 0.00 176.35 176.38 2bcm s LYS 86 N -0.44 0.26 0.24 1.70 2.20 -0.49 -4.97 119.74 118.24 2bcm s LYS 86 Ca 0.05 0.70 -0.30 0.00 -0.36 0.00 0.00 55.97 56.06 2bcm s LYS 86 Cb -0.12 -0.03 -0.10 0.00 -1.51 0.00 0.00 37.83 36.07 2bcm s LYS 86 CO 0.02 -0.19 1.45 0.00 -0.36 0.00 0.00 175.35 176.26 2bcm s ALA 87 N 1.64 3.64 -0.54 3.13 0.00 -1.26 -0.50 121.76 127.86 2bcm s ALA 87 Ca -0.07 1.33 0.25 0.00 0.00 0.00 0.00 51.96 53.47 2bcm s ALA 87 Cb -0.10 -3.56 0.93 0.00 0.00 0.00 0.00 23.12 20.39 2bcm s ALA 87 CO -0.10 -0.74 1.74 1.79 0.00 0.00 0.00 175.76 178.45 2bcm h THR 88 N 3.58 0.00 -0.35 0.00 1.35 -1.43 -2.75 112.91 113.31 2bcm h THR 88 Ca -0.46 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 2bcm h THR 88 Cb 1.22 1.17 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 2bcm h THR 88 CO 0.79 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 175.16 2bcm n ASP 89 N -2.30 2.29 0.00 5.36 5.75 -1.26 -4.93 116.55 121.46 2bcm n ASP 89 Ca 0.03 -1.90 0.00 0.00 -0.01 0.00 0.00 54.79 52.91 2bcm n ASP 89 Cb 0.30 -0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 2bcm n ASP 89 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bcm n GLY 90 N 1.22 1.15 3.72 6.12 0.00 -1.04 -5.02 105.19 111.34 2bcm n GLY 90 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 2bcm n GLY 90 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bcm s SER 91 N -3.09 4.05 -0.14 1.61 1.04 -1.26 -4.96 113.70 110.94 2bcm s SER 91 Ca 0.00 2.29 -0.23 0.00 0.48 0.00 0.00 55.95 58.49 2bcm s SER 91 Cb 0.00 -2.58 -0.02 0.00 0.10 0.00 0.00 66.02 63.51 2bcm s SER 91 CO 0.00 -2.36 0.73 -0.55 0.98 0.00 0.00 173.24 172.04 2bcm s SER 92 N -2.22 6.89 0.07 7.02 0.15 -1.26 -4.60 113.70 119.76 2bcm s SER 92 Ca 0.72 1.09 0.00 0.00 0.70 0.00 0.00 55.95 58.46 2bcm s SER 92 Cb -0.27 -2.41 -0.04 0.00 -1.71 0.00 0.00 66.02 61.59 2bcm s SER 92 CO 0.48 -0.27 -0.05 0.26 1.20 0.00 0.00 173.24 174.86 2bcm s TRP 93 N 1.62 0.66 -0.05 3.44 0.52 -1.26 -1.22 118.94 122.64 2bcm s TRP 93 Ca 0.35 -0.91 0.05 0.00 0.02 0.00 0.00 56.10 55.61 2bcm s TRP 93 Cb -0.17 -0.42 -0.02 0.00 -1.15 0.00 0.00 33.47 31.71 2bcm s TRP 93 CO 0.14 -0.25 -0.21 0.99 0.02 0.00 0.00 176.95 177.65 2bcm s THR 94 N -3.36 2.48 -0.14 2.01 2.01 0.23 -4.91 115.64 113.96 2bcm s THR 94 Ca 0.05 -0.93 -0.03 0.00 0.31 0.00 0.00 61.69 61.10 2bcm s THR 94 Cb 0.04 -1.93 -0.03 0.00 0.01 0.00 0.00 72.50 70.59 2bcm s THR 94 CO -0.06 0.57 -0.05 -0.47 -0.69 0.00 0.00 174.62 173.93 2bcm s TYR 95 N -0.39 3.01 -0.28 4.92 5.04 -1.26 -1.20 117.35 127.19 2bcm s TYR 95 Ca 0.03 -0.26 -0.22 0.00 -2.44 0.00 0.00 57.07 54.18 2bcm s TYR 95 Cb -0.12 -1.91 0.11 0.00 0.35 0.00 0.00 41.96 40.39 2bcm s TYR 95 CO 0.02 0.02 0.91 0.20 -1.34 0.00 0.00 175.55 175.36 2bcm s GLY 96 N 0.16 -0.27 -1.41 8.97 0.00 -0.28 -5.00 107.32 109.49 2bcm s GLY 96 Ca -0.02 2.59 -0.07 0.00 0.00 0.00 0.00 44.72 47.22 2bcm s GLY 96 CO 0.03 2.02 0.88 0.70 0.00 0.00 0.00 173.10 176.73 2bcm n ASN 97 N 2.85 -3.27 0.00 1.64 4.13 -1.26 -1.40 115.26 117.96 2bcm n ASN 97 Ca -0.15 -0.77 0.00 0.00 1.68 0.00 0.00 54.58 55.34 2bcm n ASN 97 Cb 0.56 -4.09 0.00 0.00 -1.54 0.00 0.00 39.78 34.71 2bcm n ASN 97 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2bcm n GLY 98 N -1.65 0.94 3.31 7.41 0.00 -1.26 -4.98 105.19 108.96 2bcm n GLY 98 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 2bcm n GLY 98 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bcm s VAL 99 N -3.77 2.39 -0.30 1.61 1.01 -0.49 -0.71 120.40 120.15 2bcm s VAL 99 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 61.05 2bcm s VAL 99 Cb 0.00 -1.92 0.06 0.00 0.00 0.00 0.00 36.38 34.53 2bcm s VAL 99 CO 0.00 0.56 -0.02 0.12 0.00 0.00 0.00 175.10 175.76 2bcm s PHE 100 N -0.05 3.33 0.01 5.22 5.36 -0.15 -1.12 117.98 130.57 2bcm s PHE 100 Ca -0.06 -2.18 0.05 0.00 -0.96 0.00 0.00 56.93 53.79 2bcm s PHE 100 Cb -0.14 -2.19 -0.02 0.00 -0.34 0.00 0.00 43.02 40.33 2bcm s PHE 100 CO 0.05 -0.86 -0.16 1.52 -1.46 0.00 0.00 175.22 174.31 2bcm s TYR 101 N 1.16 1.39 0.28 10.12 -0.85 -0.34 -0.65 117.35 128.45 2bcm s TYR 101 Ca -0.04 -0.29 -0.29 0.00 -0.52 0.00 0.00 57.07 55.93 2bcm s TYR 101 Cb -0.20 -0.87 -0.09 0.00 0.38 0.00 0.00 41.96 41.18 2bcm s TYR 101 CO -0.03 0.00 0.98 0.21 -1.52 0.00 0.00 175.55 175.19 2bcm s LYS 102 N -0.64 4.72 0.02 -3.49 2.20 0.17 -0.60 119.74 122.12 2bcm s LYS 102 Ca 0.05 1.52 -0.22 0.00 -0.36 0.00 0.00 55.97 56.96 2bcm s LYS 102 Cb -0.07 -3.11 -0.17 0.00 -1.51 0.00 0.00 37.83 32.97 2bcm s LYS 102 CO 0.00 0.37 1.29 1.15 -0.36 0.00 0.00 175.35 177.80 2bcm h THR 103 N 2.96 1.38 -3.31 3.43 2.02 -1.51 -3.43 112.91 114.46 2bcm h THR 103 Ca -0.46 -1.39 -0.57 0.00 0.77 0.00 0.00 66.41 64.76 2bcm h THR 103 Cb 1.20 2.05 -0.07 0.00 -1.74 0.00 0.00 68.15 69.59 2bcm h THR 103 CO 0.67 0.40 -0.08 -1.61 0.37 0.00 0.00 175.52 175.27 2bcm s GLU 104 N -4.11 4.33 0.90 6.66 0.41 -1.26 -5.01 118.70 120.61 2bcm s GLU 104 Ca -0.15 0.58 -0.12 0.00 -0.41 0.00 0.00 54.97 54.87 2bcm s GLU 104 Cb 0.04 -3.41 0.13 0.00 -1.78 0.00 0.00 34.13 29.12 2bcm s GLU 104 CO 0.74 0.21 1.10 0.20 -0.49 0.00 0.00 175.26 177.03 2bcm s GLY 105 N 0.39 1.60 0.00 -1.39 0.00 -1.26 -4.67 107.32 101.99 2bcm s GLY 105 Ca 0.29 -0.23 0.00 0.00 0.00 0.00 0.00 44.72 44.78 2bcm s GLY 105 CO 0.13 0.29 0.00 0.61 0.00 0.00 0.00 173.10 174.13 2bcm n GLY 106 N -1.48 1.61 3.77 0.20 0.00 -0.18 -4.84 105.19 104.28 2bcm n GLY 106 Ca 0.06 -2.14 -0.36 0.00 0.00 0.00 0.00 46.02 43.58 2bcm n GLY 106 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bcm s ASN 107 N 0.00 6.04 -0.22 1.61 0.01 -1.26 -4.61 114.94 116.51 2bcm s ASN 107 Ca 0.00 2.20 -0.27 0.00 -0.71 0.00 0.00 52.86 54.09 2bcm s ASN 107 Cb 0.00 -2.59 0.10 0.00 0.41 0.00 0.00 41.25 39.17 2bcm s ASN 107 CO 0.00 -1.00 0.89 0.86 -1.51 0.00 0.00 177.10 176.34 2bcm s TRP 108 N -1.68 -0.57 0.02 2.20 -0.00 -1.08 -5.01 118.94 112.82 2bcm s TRP 108 Ca 0.67 1.28 0.01 0.00 -0.00 0.00 0.00 56.10 58.07 2bcm s TRP 108 Cb -0.25 0.36 -0.02 0.00 -0.00 0.00 0.00 33.47 33.56 2bcm s TRP 108 CO 0.30 -0.35 -0.05 0.20 -0.00 0.00 0.00 176.95 177.05 2bcm s GLY 109 N -0.16 0.34 0.00 5.86 0.00 -1.26 0.12 107.32 112.21 2bcm s GLY 109 Ca -0.01 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.20 2bcm s GLY 109 CO -0.00 -0.54 0.00 0.61 0.00 0.00 0.00 173.10 173.17 2bcm n GLY 110 N 2.04 -0.77 3.01 0.20 0.00 -0.34 -5.01 105.19 104.32 2bcm n GLY 110 Ca -0.19 -0.30 -0.14 0.00 0.00 0.00 0.00 46.02 45.39 2bcm n GLY 110 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bcm s HIS 111 N -4.00 0.53 -0.19 1.61 3.76 -1.26 -1.30 115.29 114.44 2bcm s HIS 111 Ca 0.00 -0.33 -0.03 0.00 -0.15 0.00 0.00 55.06 54.55 2bcm s HIS 111 Cb 0.00 -0.33 -0.02 0.00 1.11 0.00 0.00 32.58 33.35 2bcm s HIS 111 CO 0.00 -0.06 -0.05 0.08 -0.85 0.00 0.00 174.74 173.86 2bcm s VAL 112 N -0.87 3.50 0.12 -0.90 1.01 -0.14 -1.00 120.40 122.12 2bcm s VAL 112 Ca -0.06 -0.47 -0.20 0.00 0.00 0.00 0.00 61.98 61.25 2bcm s VAL 112 Cb -0.07 -2.56 -0.07 0.00 0.00 0.00 0.00 36.38 33.68 2bcm s VAL 112 CO 0.00 0.45 0.64 -0.83 0.00 0.00 0.00 175.10 175.36 2bcm s GLY 113 N 1.01 2.69 -0.16 4.51 0.00 0.34 -1.10 107.32 114.61 2bcm s GLY 113 Ca 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 44.72 44.82 2bcm s GLY 113 CO 0.00 0.52 -0.11 -0.42 0.00 0.00 0.00 173.10 173.09 2bcm s ILE 114 N -1.22 3.04 0.09 0.90 1.09 -0.20 -1.40 121.20 123.50 2bcm s ILE 114 Ca 0.34 -0.64 0.01 0.00 -1.10 0.00 0.00 60.65 59.25 2bcm s ILE 114 Cb -0.19 -2.31 -0.04 0.00 -1.06 0.00 0.00 42.46 38.85 2bcm s ILE 114 CO 0.21 0.49 -0.04 -0.94 -0.10 0.00 0.00 174.94 174.56 2bcm s SER 115 N 0.81 0.89 0.24 3.58 1.04 -0.63 -0.85 113.70 118.78 2bcm s SER 115 Ca -0.04 -1.03 -0.30 0.00 0.48 0.00 0.00 55.95 55.05 2bcm s SER 115 Cb -0.15 0.14 -0.10 0.00 0.10 0.00 0.00 66.02 66.01 2bcm s SER 115 CO 0.01 -0.53 1.49 -0.69 0.98 0.00 0.00 173.24 174.50 2bcm s VAL 116 N -3.75 2.55 -0.54 5.02 1.01 0.03 -0.92 120.40 123.80 2bcm s VAL 116 Ca 0.12 0.44 -0.04 0.00 0.00 0.00 0.00 61.98 62.51 2bcm s VAL 116 Cb 0.06 -3.28 0.14 0.00 0.00 0.00 0.00 36.38 33.30 2bcm s VAL 116 CO -0.05 0.06 0.35 -0.62 0.00 0.00 0.00 175.10 174.84 2bcm s ASP 117 N 0.55 5.31 0.00 3.32 2.15 -0.46 -0.78 116.67 126.76 2bcm s ASP 117 Ca 0.62 -2.47 0.00 0.00 0.43 0.00 0.00 52.55 51.13 2bcm s ASP 117 Cb -0.43 -1.86 0.00 0.00 -0.30 0.00 0.00 42.92 40.32 2bcm s ASP 117 CO 0.42 -0.46 0.00 0.61 -0.17 0.00 0.00 175.17 175.56 2bcm n GLY 118 N 4.02 -0.23 3.72 2.66 0.00 -1.26 -4.63 105.19 109.48 2bcm n GLY 118 Ca 0.03 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 2bcm n GLY 118 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2bcm s ASN 119 N -1.17 6.52 -0.30 1.61 0.01 -1.26 -3.99 114.94 116.35 2bcm s ASN 119 Ca 0.00 2.70 0.19 0.00 -0.71 0.00 0.00 52.86 55.04 2bcm s ASN 119 Cb 0.00 -2.60 0.47 0.00 0.41 0.00 0.00 41.25 39.53 2bcm s ASN 119 CO 0.00 -0.87 1.16 0.00 -1.51 0.00 0.00 177.10 175.87 2bcm n GLN 120 N 3.99 1.47 0.00 -0.60 6.02 0.47 -4.91 117.38 123.82 2bcm n GLN 120 Ca 0.15 -2.93 0.08 0.00 -0.01 0.00 0.00 57.00 54.29 2bcm n GLN 120 Cb 0.37 -1.05 0.35 0.00 1.02 0.00 0.00 30.24 30.93 2bcm n GLN 120 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 2bcm n THR 121 N -0.61 0.88 1.12 5.09 -2.24 -1.23 -2.01 114.28 115.27 2bcm n THR 121 Ca 0.03 0.22 0.14 0.00 -2.27 0.00 0.00 64.05 62.17 2bcm n THR 121 Cb 0.82 -0.94 0.61 0.00 -2.10 0.00 0.00 70.33 68.72 2bcm n THR 121 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2bcm n ASP 122 N -1.49 0.08 -4.78 3.42 5.75 -1.26 -4.69 116.55 113.59 2bcm n ASP 122 Ca 0.04 0.22 -0.37 0.00 -0.01 0.00 0.00 54.79 54.67 2bcm n ASP 122 Cb 0.19 -0.35 -0.04 0.00 -1.03 0.00 0.00 41.12 39.89 2bcm n ASP 122 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2bcm s LYS 123 N -2.88 4.24 0.69 0.11 -0.14 -0.85 -5.02 119.74 115.88 2bcm s LYS 123 Ca 0.18 1.57 -0.11 0.00 -1.36 0.00 0.00 55.97 56.24 2bcm s LYS 123 Cb 0.19 -2.65 0.00 0.00 -1.68 0.00 0.00 37.83 33.69 2bcm s LYS 123 CO 0.53 -0.09 1.06 -1.25 -0.76 0.00 0.00 175.35 174.84 2bcm s PRO 124 N -2.32 3.02 0.73 -1.68 0.04 -1.26 -4.91 135.00 128.61 2bcm s PRO 124 Ca 0.56 0.81 -0.15 0.00 0.04 0.00 0.00 61.00 62.26 2bcm s PRO 124 Cb -0.24 -2.01 0.04 0.00 0.04 0.00 0.00 34.50 32.33 2bcm s PRO 124 CO 0.30 -1.01 1.20 0.95 0.04 0.00 0.00 177.00 178.49 2bcm s THR 125 N -3.13 2.36 0.00 1.26 -4.23 -1.26 -4.82 115.64 105.82 2bcm s THR 125 Ca 0.57 0.18 0.00 0.00 -1.18 0.00 0.00 61.69 61.26 2bcm s THR 125 Cb -0.13 -2.75 0.00 0.00 1.34 0.00 0.00 72.50 70.96 2bcm s THR 125 CO 0.54 -0.09 0.00 0.61 -0.54 0.00 0.00 174.62 175.14 2bcm n GLY 126 N 0.34 0.88 3.66 3.99 0.00 -0.71 -4.94 105.19 108.41 2bcm n GLY 126 Ca 0.13 -1.78 -0.39 0.00 0.00 0.00 0.00 46.02 43.98 2bcm n GLY 126 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2bcm s GLU 127 N -1.32 4.17 -0.06 1.61 2.12 -1.26 -0.83 118.70 123.13 2bcm s GLU 127 Ca 0.00 0.39 0.03 0.00 0.36 0.00 0.00 54.97 55.75 2bcm s GLU 127 Cb 0.00 -3.57 -0.02 0.00 0.26 0.00 0.00 34.13 30.79 2bcm s GLU 127 CO 0.00 -0.17 -0.14 0.71 -0.54 0.00 0.00 175.26 175.12 2bcm s TYR 128 N 1.71 2.72 0.09 5.30 1.51 0.36 -4.09 117.35 124.95 2bcm s TYR 128 Ca 0.23 -0.21 0.05 0.00 -1.01 0.00 0.00 57.07 56.13 2bcm s TYR 128 Cb -0.15 -1.66 -0.03 0.00 -0.11 0.00 0.00 41.96 40.01 2bcm s TYR 128 CO 0.09 0.14 -0.13 0.95 -1.11 0.00 0.00 175.55 175.50 2bcm s THR 129 N -0.60 1.09 -0.04 -0.71 -4.23 -0.49 -0.93 115.64 109.72 2bcm s THR 129 Ca 0.09 -1.48 -0.02 0.00 -1.18 0.00 0.00 61.69 59.10 2bcm s THR 129 Cb -0.11 -1.24 0.03 0.00 1.34 0.00 0.00 72.50 72.52 2bcm s THR 129 CO 0.01 -0.37 0.04 -0.22 -0.54 0.00 0.00 174.62 173.55 2bcm s LEU 130 N -2.09 0.36 -0.16 4.79 2.96 -0.14 -1.04 118.68 123.35 2bcm s LEU 130 Ca 0.02 0.04 -0.08 0.00 -0.22 0.00 0.00 54.13 53.89 2bcm s LEU 130 Cb -0.07 -0.20 -0.04 0.00 0.50 0.00 0.00 46.19 46.37 2bcm s LEU 130 CO 0.02 -0.22 0.11 0.20 -1.32 0.00 0.00 176.35 175.14 2bcm s ASN 131 N 1.99 6.12 -0.09 3.68 -0.87 -1.26 -0.95 114.94 123.56 2bcm s ASN 131 Ca 0.03 0.29 0.03 0.00 -1.57 0.00 0.00 52.86 51.64 2bcm s ASN 131 Cb -0.12 -2.03 0.01 0.00 -0.02 0.00 0.00 41.25 39.09 2bcm s ASN 131 CO -0.03 0.27 -0.18 -0.76 -2.57 0.00 0.00 177.10 173.83 2bcm s LEU 132 N -0.20 1.87 -0.11 0.60 1.43 -0.50 -3.16 118.68 118.61 2bcm s LEU 132 Ca 0.10 -0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 52.74 2bcm s LEU 132 Cb -0.12 -1.15 -0.02 0.00 0.03 0.00 0.00 46.19 44.93 2bcm s LEU 132 CO 0.01 0.09 -0.08 -0.89 0.23 0.00 0.00 176.35 175.71 2bcm s THR 133 N 0.58 3.57 0.44 5.49 2.01 -0.02 -1.08 115.64 126.63 2bcm s THR 133 Ca -0.15 -0.49 -0.22 0.00 0.31 0.00 0.00 61.69 61.14 2bcm s THR 133 Cb -0.17 -2.51 -0.09 0.00 0.01 0.00 0.00 72.50 69.75 2bcm s THR 133 CO 0.05 0.54 1.02 -0.83 -0.69 0.00 0.00 174.62 174.71 2bcm s GLY 134 N -0.10 2.58 0.00 4.40 0.00 0.02 -0.74 107.32 113.48 2bcm s GLY 134 Ca 0.01 0.60 0.00 0.00 0.00 0.00 0.00 44.72 45.32 2bcm s GLY 134 CO 0.03 0.95 0.00 0.61 0.00 0.00 0.00 173.10 174.69 2bcm n GLY 135 N -0.08 0.82 3.14 0.20 0.00 -0.40 -1.57 105.19 107.30 2bcm n GLY 135 Ca 0.07 -0.51 -0.09 0.00 0.00 0.00 0.00 46.02 45.48 2bcm n GLY 135 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2bcm s TYR 136 N -1.78 0.79 -0.12 1.61 1.13 -0.54 -1.19 117.35 117.25 2bcm s TYR 136 Ca 0.00 -1.16 -0.01 0.00 -1.41 0.00 0.00 57.07 54.49 2bcm s TYR 136 Cb 0.00 -0.47 -0.03 0.00 -1.10 0.00 0.00 41.96 40.36 2bcm s TYR 136 CO 0.00 -0.44 -0.07 -0.46 -2.51 0.00 0.00 175.55 172.06 2bcm s TRP 137 N -3.97 2.94 0.17 -3.49 -0.11 0.35 -0.70 118.94 114.12 2bcm s TRP 137 Ca 0.19 -0.28 0.10 0.00 1.22 0.00 0.00 56.10 57.33 2bcm s TRP 137 Cb 0.07 -1.84 -0.04 0.00 -1.50 0.00 0.00 33.47 30.16 2bcm s TRP 137 CO -0.02 0.04 -0.22 0.95 -4.62 0.00 0.00 176.95 173.09 2bcm s THR 138 N -0.04 2.09 -2.01 5.86 -4.23 -0.50 -3.80 115.64 113.02 2bcm s THR 138 Ca -0.00 -1.91 0.16 0.00 -1.18 0.00 0.00 61.69 58.76 2bcm s THR 138 Cb -0.13 -1.95 0.13 0.00 1.34 0.00 0.00 72.50 71.88 2bcm s THR 138 CO 0.03 -0.16 1.01 0.59 -0.54 0.00 0.00 174.62 175.55