#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 3.70 -0.18 1.09 2.19 -1.26 -1.08 117.98 122.44 2bcm s PHE 2 Ca 0.00 1.37 -0.01 0.00 0.33 0.00 0.00 56.93 58.63 2bcm s PHE 2 Cb 0.00 -2.76 0.01 0.00 -1.31 0.00 0.00 43.02 38.95 2bcm s PHE 2 CO 0.00 0.27 -0.14 -1.14 1.83 0.00 0.00 175.22 176.04 2bcm s GLN 3 N 0.03 3.16 0.11 10.12 2.00 0.29 -4.99 119.66 130.37 2bcm s GLN 3 Ca 0.36 -0.75 -0.31 0.00 -2.00 0.00 0.00 55.36 52.66 2bcm s GLN 3 Cb -0.20 -2.71 -0.08 0.00 0.80 0.00 0.00 33.01 30.82 2bcm s GLN 3 CO 0.21 -0.14 1.50 0.00 -0.50 0.00 0.00 175.29 176.35 2bcm s ALA 4 N 1.21 3.67 -0.33 1.58 0.00 -1.26 -1.39 121.76 125.24 2bcm s ALA 4 Ca 0.02 1.19 0.01 0.00 0.00 0.00 0.00 51.96 53.18 2bcm s ALA 4 Cb -0.14 -3.60 0.19 0.00 0.00 0.00 0.00 23.12 19.57 2bcm s ALA 4 CO -0.07 -0.79 0.77 0.45 0.00 0.00 0.00 175.76 176.12 2bcm s SER 5 N 1.44 -1.15 0.00 0.00 0.15 -0.52 -4.93 113.70 108.69 2bcm s SER 5 Ca 0.68 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 57.17 2bcm s SER 5 Cb -0.39 1.61 0.00 0.00 -1.71 0.00 0.00 66.02 65.53 2bcm s SER 5 CO 0.30 -0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.18 2bcm n GLY 6 N 4.82 0.99 3.86 9.45 0.00 -1.22 -3.44 105.19 119.65 2bcm n GLY 6 Ca 0.08 -1.90 -0.21 0.00 0.00 0.00 0.00 46.02 43.99 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 -2.45 2.79 -0.14 2.61 -4.23 -1.26 -4.63 115.64 108.33 2bcm s THR 7 Ca 0.00 -1.38 -0.02 0.00 -1.18 0.00 0.00 61.69 59.11 2bcm s THR 7 Cb 0.00 -3.03 -0.02 0.00 1.34 0.00 0.00 72.50 70.79 2bcm s THR 7 CO 0.00 -0.03 -0.08 -0.89 -0.54 0.00 0.00 174.62 173.08 2bcm s THR 8 N -2.45 3.52 -0.08 3.99 2.01 -1.26 -0.93 115.64 120.44 2bcm s THR 8 Ca 0.46 -0.49 0.03 0.00 0.31 0.00 0.00 61.69 61.99 2bcm s THR 8 Cb -0.03 -2.51 -0.02 0.00 0.01 0.00 0.00 72.50 69.95 2bcm s THR 8 CO 0.27 0.51 -0.15 -0.83 -0.69 0.00 0.00 174.62 173.73 2bcm s GLY 9 N 0.28 1.51 -0.15 4.40 0.00 -0.25 -4.96 107.32 108.15 2bcm s GLY 9 Ca -0.06 -0.96 -0.06 0.00 0.00 0.00 0.00 44.72 43.64 2bcm s GLY 9 CO 0.04 -0.55 0.06 -1.50 0.00 0.00 0.00 173.10 171.15 2bcm s ILE 10 N -0.29 4.83 -0.06 0.90 2.07 -1.26 -1.71 121.20 125.67 2bcm s ILE 10 Ca 0.02 -0.03 0.05 0.00 -1.41 0.00 0.00 60.65 59.27 2bcm s ILE 10 Cb -0.13 -3.13 -0.00 0.00 0.13 0.00 0.00 42.46 39.33 2bcm s ILE 10 CO 0.03 0.52 -0.20 -0.89 -1.91 0.00 0.00 174.94 172.49 2bcm s THR 11 N -0.17 1.71 -0.02 4.00 2.01 -0.09 -5.00 115.64 118.08 2bcm s THR 11 Ca 0.07 -0.86 0.06 0.00 0.31 0.00 0.00 61.69 61.27 2bcm s THR 11 Cb -0.12 -1.47 -0.01 0.00 0.01 0.00 0.00 72.50 70.91 2bcm s THR 11 CO 0.01 0.48 -0.19 -0.89 -0.69 0.00 0.00 174.62 173.34 2bcm s THR 12 N 0.10 1.54 -0.02 -0.82 2.01 -1.26 -0.64 115.64 116.55 2bcm s THR 12 Ca -0.08 -0.82 0.01 0.00 0.31 0.00 0.00 61.69 61.11 2bcm s THR 12 Cb -0.14 -1.29 0.02 0.00 0.01 0.00 0.00 72.50 71.10 2bcm s THR 12 CO 0.04 0.44 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.18 2bcm s LEU 13 N -0.32 1.33 -0.21 4.42 2.96 -0.02 -4.24 118.68 122.60 2bcm s LEU 13 Ca 0.04 -0.03 -0.05 0.00 -0.22 0.00 0.00 54.13 53.87 2bcm s LEU 13 Cb -0.09 -0.21 -0.02 0.00 0.50 0.00 0.00 46.19 46.37 2bcm s LEU 13 CO 0.00 -0.07 0.00 -0.89 -1.32 0.00 0.00 176.35 174.07 2bcm s THR 14 N 0.81 3.90 -0.06 3.68 2.01 -0.34 -0.15 115.64 125.49 2bcm s THR 14 Ca -0.08 -0.32 -0.20 0.00 0.31 0.00 0.00 61.69 61.39 2bcm s THR 14 Cb -0.11 -2.78 -0.05 0.00 0.01 0.00 0.00 72.50 69.57 2bcm s THR 14 CO -0.01 0.41 0.56 -0.69 -0.69 0.00 0.00 174.62 174.20 2bcm s VAL 15 N 1.19 5.04 0.39 3.82 1.01 -0.14 -1.74 120.40 129.97 2bcm s VAL 15 Ca 0.03 1.16 0.04 0.00 0.00 0.00 0.00 61.98 63.21 2bcm s VAL 15 Cb -0.14 -3.90 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 2bcm s VAL 15 CO 0.01 0.36 0.14 0.42 0.00 0.00 0.00 175.10 176.03 2bcm s THR 16 N 0.24 0.57 0.68 3.92 -4.23 -0.36 -1.23 115.64 115.22 2bcm s THR 16 Ca 0.30 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.70 2bcm s THR 16 Cb -0.17 -2.39 0.15 0.00 1.34 0.00 0.00 72.50 71.43 2bcm s THR 16 CO 0.15 0.00 0.92 -0.62 -0.54 0.00 0.00 174.62 174.53 2bcm n GLU 17 N -0.86 -0.83 -0.12 3.99 -0.58 -1.26 -1.23 120.64 119.76 2bcm n GLU 17 Ca -0.04 -1.49 -0.13 0.00 -0.42 0.00 0.00 57.16 55.08 2bcm n GLU 17 Cb 0.65 -0.92 -0.03 0.00 -0.57 0.00 0.00 31.44 30.57 2bcm n GLU 17 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 2bcm h GLU 18 N 0.00 0.81 -5.96 3.49 4.39 -1.98 -3.38 114.58 111.95 2bcm h GLU 18 Ca -0.30 -0.40 -0.57 0.00 0.34 0.00 0.00 59.36 58.43 2bcm h GLU 18 Cb 0.84 -0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.42 2bcm h GLU 18 CO 0.22 1.03 0.25 0.00 -1.16 0.00 0.00 179.01 179.34 2bcm s ARG 20 N 1.59 0.54 -0.16 0.00 3.03 -1.26 -5.07 118.95 117.62 2bcm s ARG 20 Ca 0.37 -0.60 0.00 0.00 2.03 0.00 0.00 55.73 57.54 2bcm s ARG 20 Cb -0.17 0.22 0.03 0.00 -1.03 0.00 0.00 34.95 34.00 2bcm s ARG 20 CO 0.15 -0.13 -0.11 0.08 -1.13 0.00 0.00 175.30 174.15 2bcm s VAL 21 N -2.06 1.47 -0.13 4.99 1.01 -1.26 -5.11 120.40 119.31 2bcm s VAL 21 Ca -0.09 -0.71 -0.21 0.00 0.00 0.00 0.00 61.98 60.97 2bcm s VAL 21 Cb -0.04 -1.48 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 2bcm s VAL 21 CO -0.02 0.32 0.61 -1.10 0.00 0.00 0.00 175.10 174.91 2bcm s GLN 22 N 1.50 4.33 -0.11 2.72 -0.21 -1.26 -5.07 119.66 121.57 2bcm s GLN 22 Ca 0.03 0.66 0.02 0.00 0.02 0.00 0.00 55.36 56.09 2bcm s GLN 22 Cb -0.14 -3.49 0.01 0.00 1.00 0.00 0.00 33.01 30.39 2bcm s GLN 22 CO -0.09 -0.01 -0.18 0.08 -2.12 0.00 0.00 175.29 172.97 2bcm s VAL 23 N 1.14 1.67 0.00 1.09 1.01 -1.26 -5.06 120.40 118.99 2bcm s VAL 23 Ca 0.31 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.53 2bcm s VAL 23 Cb -0.16 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.72 2bcm s VAL 23 CO 0.13 0.47 0.00 0.61 0.00 0.00 0.00 175.10 176.31 2bcm n GLY 24 N 4.01 0.18 3.68 4.51 0.00 -1.26 -4.85 105.19 111.46 2bcm n GLY 24 Ca -0.20 -0.98 -0.44 0.00 0.00 0.00 0.00 46.02 44.40 2bcm n GLY 24 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bcm n ASN 25 N 3.05 2.81 -4.67 1.61 3.02 -1.26 -4.89 115.26 114.93 2bcm n ASN 25 Ca 0.00 1.15 -0.43 0.00 -0.03 0.00 0.00 54.58 55.27 2bcm n ASN 25 Cb 0.00 -1.44 -0.02 0.00 -0.61 0.00 0.00 39.78 37.71 2bcm n ASN 25 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2bcm s VAL 26 N -0.13 4.22 0.09 2.41 1.01 -1.26 -5.02 120.40 121.72 2bcm s VAL 26 Ca 0.67 1.50 0.02 0.00 0.00 0.00 0.00 61.98 64.17 2bcm s VAL 26 Cb -0.64 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 31.74 2bcm s VAL 26 CO 0.50 -0.09 -0.07 0.42 0.00 0.00 0.00 175.10 175.86 2bcm s THR 27 N 3.14 0.66 0.36 3.92 -4.23 -1.26 -5.13 115.64 113.10 2bcm s THR 27 Ca 0.56 -1.79 -0.27 0.00 -1.18 0.00 0.00 61.69 59.01 2bcm s THR 27 Cb -0.23 -1.50 -0.10 0.00 1.34 0.00 0.00 72.50 72.01 2bcm s THR 27 CO 0.18 -0.79 1.29 0.00 -0.54 0.00 0.00 174.62 174.75 2bcm s ALA 28 N -3.26 3.38 0.06 3.99 0.00 -1.26 -4.92 121.76 119.76 2bcm s ALA 28 Ca 0.08 1.22 0.04 0.00 0.00 0.00 0.00 51.96 53.30 2bcm s ALA 28 Cb 0.03 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.65 2bcm s ALA 28 CO -0.04 -0.70 -0.11 0.95 0.00 0.00 0.00 175.76 175.87 2bcm s THR 29 N -1.21 0.82 -0.06 0.00 -4.23 -1.26 -1.20 115.64 108.50 2bcm s THR 29 Ca 0.52 -1.28 -0.03 0.00 -1.18 0.00 0.00 61.69 59.72 2bcm s THR 29 Cb -0.38 -0.93 0.03 0.00 1.34 0.00 0.00 72.50 72.56 2bcm s THR 29 CO 0.50 -0.36 0.14 -0.76 -0.54 0.00 0.00 174.62 173.60 2bcm s LEU 30 N -1.82 1.02 0.67 4.79 1.43 -0.71 -4.94 118.68 119.12 2bcm s LEU 30 Ca -0.04 0.28 -0.16 0.00 -1.03 0.00 0.00 54.13 53.18 2bcm s LEU 30 Cb -0.08 0.38 0.01 0.00 0.03 0.00 0.00 46.19 46.53 2bcm s LEU 30 CO 0.01 -0.11 1.21 0.00 0.23 0.00 0.00 176.35 177.68 2bcm s ALA 31 N 0.76 2.31 0.26 4.21 0.00 -1.26 -1.22 121.76 126.82 2bcm s ALA 31 Ca -0.06 0.92 -0.01 0.00 0.00 0.00 0.00 51.96 52.81 2bcm s ALA 31 Cb -0.08 -3.46 0.56 0.00 0.00 0.00 0.00 23.12 20.14 2bcm s ALA 31 CO -0.04 -1.57 1.72 0.00 0.00 0.00 0.00 175.76 175.87 2bcm h ARG 32 N 0.18 0.43 0.00 0.00 3.08 -1.48 0.23 114.38 116.82 2bcm h ARG 32 Ca -0.49 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.54 2bcm h ARG 32 Cb 1.30 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 31.25 2bcm h ARG 32 CO 0.52 0.28 0.00 -1.13 -1.07 0.00 0.00 179.97 178.57 2bcm n SER 33 N -5.01 0.45 -1.10 7.04 3.41 -1.26 -1.77 113.62 115.38 2bcm n SER 33 Ca 0.17 0.62 0.12 0.00 -0.26 0.00 0.00 58.87 59.52 2bcm n SER 33 Cb 0.50 -0.71 0.22 0.00 -0.26 0.00 0.00 64.21 63.96 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 -2.01 2.44 -1.66 4.33 4.76 0.07 -4.70 118.16 121.39 2bcm n LYS 34 Ca 0.02 -2.17 -0.41 0.00 -2.87 0.00 0.00 58.31 52.88 2bcm n LYS 34 Cb 0.18 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 31.86 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 1.39 7.63 -4.88 -0.35 4.77 -0.73 -4.87 117.00 119.96 2bcm n LEU 35 Ca 0.19 -4.33 -0.26 0.00 -0.03 0.00 0.00 56.01 51.58 2bcm n LEU 35 Cb 0.59 -1.58 -0.04 0.00 -2.33 0.00 0.00 43.42 40.05 2bcm n LEU 35 CO 0.16 1.56 -0.15 -0.54 -1.33 0.00 0.00 177.39 177.09 2bcm s LYS 36 N 2.23 3.20 0.19 3.23 -0.14 -1.26 -0.93 119.74 126.25 2bcm s LYS 36 Ca 0.55 -0.73 -0.32 0.00 -1.36 0.00 0.00 55.97 54.10 2bcm s LYS 36 Cb 0.15 -2.82 -0.15 0.00 -1.68 0.00 0.00 37.83 33.34 2bcm s LYS 36 CO -0.07 0.50 1.23 -3.47 -0.76 0.00 0.00 175.35 172.78 2bcm n ASP 37 N -0.53 1.72 0.00 2.83 2.03 -1.26 -1.54 116.55 119.80 2bcm n ASP 37 Ca -0.08 1.14 0.00 0.00 0.52 0.00 0.00 54.79 56.37 2bcm n ASP 37 Cb 0.55 -1.27 0.00 0.00 -0.72 0.00 0.00 41.12 39.68 2bcm n ASP 37 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2bcm n ASP 38 N 2.08 -2.81 -4.71 1.67 10.43 -0.15 -4.95 116.55 118.11 2bcm n ASP 38 Ca 0.14 0.00 -0.42 0.00 2.57 0.00 0.00 54.79 57.08 2bcm n ASP 38 Cb 0.26 -1.15 -0.03 0.00 1.84 0.00 0.00 41.12 42.04 2bcm n ASP 38 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 2bcm s THR 39 N -2.11 3.46 0.27 -3.53 2.01 -0.59 -4.72 115.64 110.43 2bcm s THR 39 Ca 0.00 1.02 -0.30 0.00 0.31 0.00 0.00 61.69 62.72 2bcm s THR 39 Cb 0.00 -3.65 -0.10 0.00 0.01 0.00 0.00 72.50 68.76 2bcm s THR 39 CO 0.00 0.06 1.41 0.00 -0.69 0.00 0.00 174.62 175.41 2bcm s ALA 40 N 1.36 3.60 -0.13 7.40 0.00 -1.26 -0.83 121.76 131.90 2bcm s ALA 40 Ca 0.64 1.32 -0.05 0.00 0.00 0.00 0.00 51.96 53.87 2bcm s ALA 40 Cb -0.35 -3.54 -0.06 0.00 0.00 0.00 0.00 23.12 19.17 2bcm s ALA 40 CO 0.29 -0.73 -0.15 -0.89 0.00 0.00 0.00 175.76 174.28 2bcm n ILE 41 N 1.95 0.71 -3.97 0.00 5.41 0.03 -4.89 119.36 118.59 2bcm n ILE 41 Ca 0.05 -0.20 0.02 0.00 1.00 0.00 0.00 62.75 63.62 2bcm n ILE 41 Cb 0.41 -1.51 0.01 0.00 -0.71 0.00 0.00 39.64 37.84 2bcm n ILE 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2bcm n GLY 42 N 2.35 0.32 3.11 7.39 0.00 -1.03 -4.92 105.19 112.41 2bcm n GLY 42 Ca -0.25 -1.02 -0.15 0.00 0.00 0.00 0.00 46.02 44.60 2bcm n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bcm s VAL 43 N -2.05 0.80 -0.04 1.61 1.01 -1.26 -0.73 120.40 119.75 2bcm s VAL 43 Ca 0.24 -1.19 0.02 0.00 0.00 0.00 0.00 61.98 61.05 2bcm s VAL 43 Cb -0.01 -0.83 0.01 0.00 0.00 0.00 0.00 36.38 35.56 2bcm s VAL 43 CO -0.00 -0.32 -0.08 -0.51 0.00 0.00 0.00 175.10 174.20 2bcm s ILE 44 N -1.35 0.72 0.33 2.22 2.07 -0.22 -4.97 121.20 120.01 2bcm s ILE 44 Ca -0.06 -0.28 -0.27 0.00 -1.41 0.00 0.00 60.65 58.62 2bcm s ILE 44 Cb -0.10 -0.68 -0.09 0.00 0.13 0.00 0.00 42.46 41.72 2bcm s ILE 44 CO 0.01 0.25 1.09 -0.83 -1.91 0.00 0.00 174.94 173.55 2bcm s GLY 45 N 0.50 2.93 -0.02 1.50 0.00 -1.26 -0.92 107.32 110.05 2bcm s GLY 45 Ca -0.08 0.84 -0.00 0.00 0.00 0.00 0.00 44.72 45.48 2bcm s GLY 45 CO 0.01 1.37 0.03 0.14 0.00 0.00 0.00 173.10 174.65 2bcm s VAL 46 N -1.36 -0.03 -0.09 1.40 1.01 -0.48 -4.93 120.40 115.91 2bcm s VAL 46 Ca 0.50 0.23 -0.02 0.00 0.00 0.00 0.00 61.98 62.70 2bcm s VAL 46 Cb -0.28 -0.12 0.03 0.00 0.00 0.00 0.00 36.38 36.01 2bcm s VAL 46 CO 0.36 0.11 0.01 -0.89 0.00 0.00 0.00 175.10 174.69 2bcm s THR 47 N 1.22 0.39 -0.21 3.92 2.01 -1.26 -0.98 115.64 120.72 2bcm s THR 47 Ca -0.07 0.01 -0.06 0.00 0.31 0.00 0.00 61.69 61.88 2bcm s THR 47 Cb -0.13 -0.61 -0.03 0.00 0.01 0.00 0.00 72.50 71.74 2bcm s THR 47 CO -0.03 0.18 0.03 0.00 -0.69 0.00 0.00 174.62 174.10 2bcm s ALA 48 N 1.96 3.11 0.07 7.40 0.00 0.35 -5.01 121.76 129.64 2bcm s ALA 48 Ca 0.04 -0.99 0.07 0.00 0.00 0.00 0.00 51.96 51.09 2bcm s ALA 48 Cb -0.13 -1.86 -0.03 0.00 0.00 0.00 0.00 23.12 21.10 2bcm s ALA 48 CO -0.06 -0.18 -0.19 -0.51 0.00 0.00 0.00 175.76 174.82 2bcm s LEU 49 N 1.05 2.24 -1.21 0.00 2.01 -1.26 -2.93 118.68 118.58 2bcm s LEU 49 Ca 0.03 -0.60 0.00 0.00 0.01 0.00 0.00 54.13 53.57 2bcm s LEU 49 Cb -0.14 -0.84 0.00 0.00 0.01 0.00 0.00 46.19 45.22 2bcm s LEU 49 CO 0.02 0.07 0.00 0.61 1.01 0.00 0.00 176.35 178.06 2bcm n GLY 50 N 1.43 0.38 0.77 -3.19 0.00 -1.26 -4.92 105.19 98.40 2bcm n GLY 50 Ca -0.19 -0.37 0.08 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.51 0.96 0.00 0.00 2.85 -1.26 -1.22 115.26 116.07 2bcm n ASN 52 Ca 0.20 1.14 0.00 0.00 -0.11 0.00 0.00 54.58 55.80 2bcm n ASN 52 Cb 0.82 -1.08 0.00 0.00 1.24 0.00 0.00 39.78 40.75 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 2.10 0.80 3.17 8.20 0.00 -1.26 -4.84 105.19 113.36 2bcm n GLY 53 Ca 0.19 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 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 2.35 -0.27 0.99 1.43 -0.36 -4.87 118.68 117.94 2bcm s LEU 54 Ca 0.00 -0.72 -0.15 0.00 -1.03 0.00 0.00 54.13 52.23 2bcm s LEU 54 Cb 0.00 -0.37 -0.04 0.00 0.03 0.00 0.00 46.19 45.81 2bcm s LEU 54 CO 0.00 -0.19 0.36 -1.10 0.23 0.00 0.00 176.35 175.65 2bcm s GLN 55 N -2.31 3.99 0.52 1.70 -0.21 -1.25 -0.18 119.66 121.92 2bcm s GLN 55 Ca 0.02 -0.01 -0.23 0.00 0.02 0.00 0.00 55.36 55.16 2bcm s GLN 55 Cb -0.06 -3.66 -0.06 0.00 1.00 0.00 0.00 33.01 30.23 2bcm s GLN 55 CO 0.01 -0.28 1.37 0.00 -2.12 0.00 0.00 175.29 174.27 2bcm n ALA 56 N 5.31 1.67 -2.97 6.09 0.00 -1.26 -0.67 120.51 128.68 2bcm n ALA 56 Ca -0.09 0.16 -0.11 0.00 0.00 0.00 0.00 53.44 53.40 2bcm n ALA 56 Cb 0.51 -2.36 -0.07 0.00 0.00 0.00 0.00 19.45 17.53 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 -1.26 -0.69 0.02 0.00 0.00 -0.20 -0.72 121.76 118.90 2bcm s ALA 57 Ca 0.69 -0.05 0.09 0.00 0.00 0.00 0.00 51.96 52.69 2bcm s ALA 57 Cb -0.43 0.38 -0.03 0.00 0.00 0.00 0.00 23.12 23.05 2bcm s ALA 57 CO 0.52 -0.45 -0.26 -0.51 0.00 0.00 0.00 175.76 175.06 2bcm s LEU 58 N -2.23 2.15 -0.14 0.00 1.43 0.15 -1.16 118.68 118.88 2bcm s LEU 58 Ca -0.03 -0.53 0.02 0.00 -1.03 0.00 0.00 54.13 52.56 2bcm s LEU 58 Cb 0.00 -1.32 0.01 0.00 0.03 0.00 0.00 46.19 44.91 2bcm s LEU 58 CO -0.05 0.28 -0.20 -1.58 0.23 0.00 0.00 176.35 175.03 2bcm s GLN 59 N -1.00 2.85 0.47 1.70 2.00 0.25 -0.97 119.66 124.96 2bcm s GLN 59 Ca 0.11 -0.79 -0.22 0.00 -2.00 0.00 0.00 55.36 52.46 2bcm s GLN 59 Cb -0.10 -2.33 -0.07 0.00 0.80 0.00 0.00 33.01 31.30 2bcm s GLN 59 CO 0.01 -0.05 1.13 0.00 -0.50 0.00 0.00 175.29 175.88 2bcm s ALA 60 N 0.91 2.92 0.58 1.58 0.00 0.81 -0.83 121.76 127.73 2bcm s ALA 60 Ca -0.06 0.85 -0.20 0.00 0.00 0.00 0.00 51.96 52.56 2bcm s ALA 60 Cb -0.15 -3.35 -0.04 0.00 0.00 0.00 0.00 23.12 19.58 2bcm s ALA 60 CO -0.03 -0.59 1.26 0.34 0.00 0.00 0.00 175.76 176.74 2bcm s ASP 61 N -1.53 5.18 0.67 0.00 -1.08 -0.99 -4.89 116.67 114.03 2bcm s ASP 61 Ca 0.65 2.53 0.42 0.00 -0.52 0.00 0.00 52.55 55.63 2bcm s ASP 61 Cb -0.26 -2.61 2.27 0.00 -1.46 0.00 0.00 42.92 40.86 2bcm s ASP 61 CO 0.31 -1.61 2.28 1.55 0.52 0.00 0.00 175.17 178.22 2bcm h PRO 62 N 1.09 0.00 0.00 4.34 0.13 -1.94 0.40 132.00 136.02 2bcm h PRO 62 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2bcm h PRO 62 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2bcm h PRO 62 CO 0.56 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.08 2bcm n ASP 63 N -3.06 0.00 -0.33 1.44 10.43 -1.26 -3.75 116.55 120.02 2bcm n ASP 63 Ca -0.03 0.21 0.03 0.00 2.57 0.00 0.00 54.79 57.58 2bcm n ASP 63 Cb 0.14 -0.37 0.06 0.00 1.84 0.00 0.00 41.12 42.79 2bcm n ASP 63 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 2bcm n ASN 64 N -1.37 2.08 -3.66 -2.24 5.03 0.13 -4.74 115.26 110.49 2bcm n ASN 64 Ca 0.07 -1.66 -0.10 0.00 0.87 0.00 0.00 54.58 53.76 2bcm n ASN 64 Cb 0.16 -0.07 -0.04 0.00 -1.02 0.00 0.00 39.78 38.82 2bcm n ASN 64 CO 0.00 0.00 0.00 -0.72 -1.83 0.00 0.00 177.26 174.71 2bcm s TYR 65 N -0.79 -0.21 0.00 3.10 1.13 -1.25 -0.35 117.35 118.98 2bcm s TYR 65 Ca 0.11 -0.11 0.00 0.00 -1.41 0.00 0.00 57.07 55.66 2bcm s TYR 65 Cb 0.06 0.40 0.00 0.00 -1.10 0.00 0.00 41.96 41.32 2bcm s TYR 65 CO 0.09 -0.86 0.00 -0.40 -2.51 0.00 0.00 175.55 171.87 2bcm n ASP 66 N -0.32 0.41 0.30 -0.18 5.68 -0.70 -4.95 116.55 116.80 2bcm n ASP 66 Ca -0.12 -0.97 0.19 0.00 -0.50 0.00 0.00 54.79 53.38 2bcm n ASP 66 Cb 0.63 0.00 1.02 0.00 -1.14 0.00 0.00 41.12 41.64 2bcm n ASP 66 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2bcm h ALA 67 N 1.00 1.33 0.00 2.12 0.00 -2.01 -3.31 119.26 118.39 2bcm h ALA 67 Ca 0.00 -0.00 -0.10 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 17.77 2bcm h ALA 67 CO 0.00 -0.09 -1.37 2.41 0.00 0.00 0.00 179.25 180.20 2bcm n THR 68 N -3.41 0.37 -4.36 0.00 -1.04 -1.26 -4.67 114.28 99.92 2bcm n THR 68 Ca -0.02 -0.15 -0.27 0.00 -2.04 0.00 0.00 64.05 61.56 2bcm n THR 68 Cb 0.15 -0.75 -0.13 0.00 -1.82 0.00 0.00 70.33 67.79 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 -4.51 3.08 -0.06 8.00 0.01 -1.25 -4.98 114.94 115.23 2bcm s ASN 69 Ca -0.08 -0.73 -0.15 0.00 -0.71 0.00 0.00 52.86 51.19 2bcm s ASN 69 Cb 0.02 -0.20 -0.05 0.00 0.41 0.00 0.00 41.25 41.44 2bcm s ASN 69 CO 0.16 0.14 0.38 -0.22 -1.51 0.00 0.00 177.10 176.05 2bcm s LEU 70 N -2.03 4.38 -0.05 0.60 2.96 -1.26 -1.72 118.68 121.57 2bcm s LEU 70 Ca 0.12 0.82 -0.12 0.00 -0.22 0.00 0.00 54.13 54.73 2bcm s LEU 70 Cb -0.10 -2.54 0.02 0.00 0.50 0.00 0.00 46.19 44.08 2bcm s LEU 70 CO 0.06 0.22 0.28 -0.72 -1.32 0.00 0.00 176.35 174.86 2bcm s TYR 71 N -0.42 -0.21 0.41 5.38 1.13 0.52 -0.96 117.35 123.21 2bcm s TYR 71 Ca 0.22 0.42 -0.23 0.00 -1.41 0.00 0.00 57.07 56.07 2bcm s TYR 71 Cb -0.15 0.08 -0.10 0.00 -1.10 0.00 0.00 41.96 40.69 2bcm s TYR 71 CO 0.10 -0.28 1.00 -1.64 -2.51 0.00 0.00 175.55 172.22 2bcm s MET 72 N -0.74 4.18 0.01 -3.49 -1.94 -0.14 -4.49 119.30 112.69 2bcm s MET 72 Ca -0.08 1.34 0.05 0.00 -1.71 0.00 0.00 55.69 55.28 2bcm s MET 72 Cb -0.04 -2.40 -0.02 0.00 2.01 0.00 0.00 34.83 34.39 2bcm s MET 72 CO 0.02 -0.10 -0.14 0.99 -0.01 0.00 0.00 175.02 175.79 2bcm s THR 73 N -1.86 1.10 0.73 2.05 2.01 -0.28 -0.96 115.64 118.44 2bcm s THR 73 Ca 0.60 -0.77 -0.04 0.00 0.31 0.00 0.00 61.69 61.79 2bcm s THR 73 Cb -0.17 -0.96 0.12 0.00 0.01 0.00 0.00 72.50 71.50 2bcm s THR 73 CO 0.21 0.17 1.02 -0.94 -0.69 0.00 0.00 174.62 174.40 2bcm s SER 74 N -0.69 4.35 0.55 3.53 1.04 -0.22 -1.22 113.70 121.05 2bcm s SER 74 Ca 0.04 -0.10 0.28 0.00 0.48 0.00 0.00 55.95 56.64 2bcm s SER 74 Cb -0.06 -0.33 1.61 0.00 0.10 0.00 0.00 66.02 67.34 2bcm s SER 74 CO 0.00 -1.86 2.16 -0.09 0.98 0.00 0.00 173.24 174.43 2bcm h ARG 75 N -0.63 0.00 -0.64 4.02 2.43 -1.91 -0.65 114.38 117.00 2bcm h ARG 75 Ca -0.39 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 2bcm h ARG 75 Cb 1.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 2bcm h ARG 75 CO 0.44 0.06 0.00 0.09 -1.51 0.00 0.00 179.97 179.06 2bcm n ASN 76 N -3.77 4.44 -2.25 -3.80 3.02 -1.26 -4.93 115.26 106.71 2bcm n ASN 76 Ca -0.02 -2.46 -0.20 0.00 -0.03 0.00 0.00 54.58 51.86 2bcm n ASN 76 Cb 0.16 -0.57 -0.02 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 0.92 -0.88 -2.14 3.10 -0.00 -0.25 -4.99 115.22 110.98 2bcm n HIS 77 Ca 0.23 0.00 -0.37 0.00 0.46 0.00 0.00 57.72 58.04 2bcm n HIS 77 Cb 0.85 -3.84 0.01 0.00 -0.12 0.00 0.00 29.99 26.88 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 -2.14 5.88 -0.08 0.26 1.01 -1.26 -4.81 116.67 115.53 2bcm s ASP 79 Ca 0.00 2.40 0.02 0.00 0.71 0.00 0.00 52.55 55.69 2bcm s ASP 79 Cb 0.00 -2.61 0.01 0.00 1.01 0.00 0.00 42.92 41.33 2bcm s ASP 79 CO 0.00 -1.12 -0.15 -0.54 0.21 0.00 0.00 175.17 173.57 2bcm s LYS 80 N -2.82 2.02 -0.36 8.23 1.02 -1.26 -1.05 119.74 125.51 2bcm s LYS 80 Ca 0.67 -0.51 -0.04 0.00 0.02 0.00 0.00 55.97 56.11 2bcm s LYS 80 Cb -0.31 -1.65 0.08 0.00 -0.52 0.00 0.00 37.83 35.42 2bcm s LYS 80 CO 0.37 0.03 0.12 -1.17 -0.92 0.00 0.00 175.35 173.78 2bcm s LEU 81 N 0.71 4.64 0.21 3.17 2.96 -0.13 -4.96 118.68 125.28 2bcm s LEU 81 Ca -0.13 -1.59 -0.31 0.00 -0.22 0.00 0.00 54.13 51.88 2bcm s LEU 81 Cb -0.16 -1.81 -0.11 0.00 0.50 0.00 0.00 46.19 44.62 2bcm s LEU 81 CO 0.03 -0.41 1.57 0.20 -1.32 0.00 0.00 176.35 176.42 2bcm s ASN 82 N 1.59 6.53 0.23 3.68 0.01 -1.26 -0.97 114.94 124.75 2bcm s ASN 82 Ca 0.02 2.72 0.01 0.00 -0.71 0.00 0.00 52.86 54.90 2bcm s ASN 82 Cb -0.21 -2.61 -0.05 0.00 0.41 0.00 0.00 41.25 38.79 2bcm s ASN 82 CO -0.02 -0.84 0.09 0.68 -1.51 0.00 0.00 177.10 175.50 2bcm s VAL 83 N 0.74 0.46 0.04 1.60 -7.23 -0.13 -1.41 120.40 114.47 2bcm s VAL 83 Ca 0.68 -1.99 -0.01 0.00 -1.81 0.00 0.00 61.98 58.85 2bcm s VAL 83 Cb -0.45 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 33.94 2bcm s VAL 83 CO 0.36 -0.09 -0.03 -1.59 -0.31 0.00 0.00 175.10 173.45 2bcm s LYS 84 N -4.04 0.50 -0.01 4.82 -2.85 -0.38 -4.33 119.74 113.44 2bcm s LYS 84 Ca 0.36 -0.98 0.05 0.00 -1.00 0.00 0.00 55.97 54.39 2bcm s LYS 84 Cb 0.07 0.16 -0.03 0.00 -2.06 0.00 0.00 37.83 35.97 2bcm s LYS 84 CO 0.12 -0.08 -0.14 -0.51 0.10 0.00 0.00 175.35 174.83 2bcm s LEU 85 N -2.35 2.77 -0.18 2.77 1.43 -1.26 -1.75 118.68 120.12 2bcm s LEU 85 Ca -0.02 -0.25 -0.10 0.00 -1.03 0.00 0.00 54.13 52.73 2bcm s LEU 85 Cb 0.01 -1.59 0.06 0.00 0.03 0.00 0.00 46.19 44.70 2bcm s LEU 85 CO -0.06 0.31 0.43 -0.75 0.23 0.00 0.00 176.35 176.51 2bcm s LYS 86 N -1.06 0.41 0.29 1.70 2.20 -0.71 -4.98 119.74 117.60 2bcm s LYS 86 Ca 0.13 0.83 -0.29 0.00 -0.36 0.00 0.00 55.97 56.28 2bcm s LYS 86 Cb -0.11 -0.01 -0.10 0.00 -1.51 0.00 0.00 37.83 36.11 2bcm s LYS 86 CO 0.03 -0.16 1.26 0.00 -0.36 0.00 0.00 175.35 176.13 2bcm s ALA 87 N 1.44 3.49 -1.11 3.13 0.00 -1.26 -0.52 121.76 126.92 2bcm s ALA 87 Ca -0.09 1.16 0.27 0.00 0.00 0.00 0.00 51.96 53.29 2bcm s ALA 87 Cb -0.08 -3.45 1.19 0.00 0.00 0.00 0.00 23.12 20.78 2bcm s ALA 87 CO -0.13 -0.52 1.86 0.25 0.00 0.00 0.00 175.76 177.22 2bcm n THR 88 N 1.24 0.17 0.29 0.00 -2.24 -0.31 -3.07 114.28 110.36 2bcm n THR 88 Ca 0.01 0.04 0.12 0.00 -2.27 0.00 0.00 64.05 61.95 2bcm n THR 88 Cb 0.43 -0.59 0.23 0.00 -2.10 0.00 0.00 70.33 68.30 2bcm n THR 88 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2bcm n ASP 89 N -1.45 3.45 0.00 3.42 3.85 -1.26 -4.94 116.55 119.61 2bcm n ASP 89 Ca 0.08 -1.99 0.00 0.00 -0.71 0.00 0.00 54.79 52.17 2bcm n ASP 89 Cb 0.28 -0.27 0.00 0.00 -1.35 0.00 0.00 41.12 39.79 2bcm n ASP 89 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2bcm n GLY 90 N 1.51 0.76 3.72 6.12 0.00 -1.17 -5.02 105.19 111.12 2bcm n GLY 90 Ca 0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.62 4.08 -0.12 1.61 1.04 -1.26 -4.98 113.70 111.45 2bcm s SER 91 Ca 0.00 2.28 -0.19 0.00 0.48 0.00 0.00 55.95 58.52 2bcm s SER 91 Cb 0.00 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.50 2bcm s SER 91 CO 0.00 -2.33 0.53 -0.44 0.98 0.00 0.00 173.24 171.98 2bcm s SER 92 N -2.23 6.73 0.06 7.02 0.01 -1.26 -4.65 113.70 119.38 2bcm s SER 92 Ca 0.72 0.87 -0.00 0.00 1.31 0.00 0.00 55.95 58.85 2bcm s SER 92 Cb -0.27 -2.31 -0.04 0.00 0.21 0.00 0.00 66.02 63.61 2bcm s SER 92 CO 0.47 -0.05 -0.04 0.26 0.41 0.00 0.00 173.24 174.29 2bcm s TRP 93 N 0.80 0.63 -0.05 2.43 0.52 -1.26 -1.09 118.94 120.93 2bcm s TRP 93 Ca 0.28 -1.01 0.06 0.00 0.02 0.00 0.00 56.10 55.45 2bcm s TRP 93 Cb -0.16 -0.43 -0.01 0.00 -1.15 0.00 0.00 33.47 31.73 2bcm s TRP 93 CO 0.12 -0.30 -0.24 0.99 0.02 0.00 0.00 176.95 177.54 2bcm s THR 94 N -3.76 1.95 -0.13 2.01 2.01 0.23 -4.90 115.64 113.05 2bcm s THR 94 Ca 0.08 -1.01 -0.03 0.00 0.31 0.00 0.00 61.69 61.04 2bcm s THR 94 Cb 0.07 -1.65 -0.03 0.00 0.01 0.00 0.00 72.50 70.90 2bcm s THR 94 CO -0.08 0.54 -0.03 -0.47 -0.69 0.00 0.00 174.62 173.90 2bcm s TYR 95 N -0.17 3.05 -0.26 4.92 5.04 -1.26 -0.93 117.35 127.74 2bcm s TYR 95 Ca -0.03 -0.10 -0.26 0.00 -2.44 0.00 0.00 57.07 54.24 2bcm s TYR 95 Cb -0.13 -1.88 0.14 0.00 0.35 0.00 0.00 41.96 40.43 2bcm s TYR 95 CO 0.03 0.16 1.11 0.20 -1.34 0.00 0.00 175.55 175.70 2bcm s GLY 96 N -0.13 -0.08 -1.44 8.97 0.00 -0.31 -5.01 107.32 109.33 2bcm s GLY 96 Ca 0.03 2.71 -0.04 0.00 0.00 0.00 0.00 44.72 47.42 2bcm s GLY 96 CO 0.02 1.69 0.62 0.70 0.00 0.00 0.00 173.10 176.14 2bcm n ASN 97 N 1.80 -1.56 0.00 1.64 5.03 -1.26 -1.60 115.26 119.31 2bcm n ASN 97 Ca -0.11 -0.92 0.00 0.00 0.87 0.00 0.00 54.58 54.41 2bcm n ASN 97 Cb 0.56 -3.41 0.00 0.00 -1.02 0.00 0.00 39.78 35.92 2bcm n ASN 97 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2bcm n GLY 98 N -1.76 1.20 3.30 7.41 0.00 -1.26 -4.98 105.19 109.10 2bcm n GLY 98 Ca -0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.69 2.35 -0.28 1.61 1.01 -0.62 -0.14 120.40 120.63 2bcm s VAL 99 Ca 0.00 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.04 2bcm s VAL 99 Cb 0.00 -1.89 0.06 0.00 0.00 0.00 0.00 36.38 34.54 2bcm s VAL 99 CO 0.00 0.56 -0.06 0.12 0.00 0.00 0.00 175.10 175.73 2bcm s PHE 100 N -0.06 3.27 0.02 5.22 5.99 -0.14 -1.16 117.98 131.12 2bcm s PHE 100 Ca -0.06 -2.13 0.05 0.00 0.00 0.00 0.00 56.93 54.80 2bcm s PHE 100 Cb -0.14 -2.03 -0.02 0.00 0.00 0.00 0.00 43.02 40.83 2bcm s PHE 100 CO 0.05 -0.85 -0.16 1.52 -0.00 0.00 0.00 175.22 175.78 2bcm s TYR 101 N 1.17 1.41 0.17 10.12 -0.85 -0.10 -0.67 117.35 128.59 2bcm s TYR 101 Ca -0.07 -0.32 -0.28 0.00 -0.52 0.00 0.00 57.07 55.88 2bcm s TYR 101 Cb -0.20 -0.87 -0.07 0.00 0.38 0.00 0.00 41.96 41.20 2bcm s TYR 101 CO -0.03 0.02 0.89 0.21 -1.52 0.00 0.00 175.55 175.12 2bcm s LYS 102 N -0.81 4.71 -0.01 -3.49 2.20 0.10 -0.60 119.74 121.84 2bcm s LYS 102 Ca 0.05 1.36 -0.25 0.00 -0.36 0.00 0.00 55.97 56.76 2bcm s LYS 102 Cb -0.07 -3.31 -0.19 0.00 -1.51 0.00 0.00 37.83 32.74 2bcm s LYS 102 CO 0.01 0.42 1.32 1.15 -0.36 0.00 0.00 175.35 177.89 2bcm h THR 103 N 3.54 1.28 -3.25 3.43 2.02 -1.45 -3.43 112.91 115.05 2bcm h THR 103 Ca -0.45 -0.95 -0.58 0.00 0.77 0.00 0.00 66.41 65.21 2bcm h THR 103 Cb 1.20 1.92 -0.05 0.00 -1.74 0.00 0.00 68.15 69.48 2bcm h THR 103 CO 0.69 0.24 -0.06 -1.61 0.37 0.00 0.00 175.52 175.16 2bcm s GLU 104 N -4.53 4.24 0.94 6.66 0.41 -1.26 -5.00 118.70 120.15 2bcm s GLU 104 Ca -0.15 0.67 -0.13 0.00 -0.41 0.00 0.00 54.97 54.95 2bcm s GLU 104 Cb 0.02 -3.31 0.15 0.00 -1.78 0.00 0.00 34.13 29.22 2bcm s GLU 104 CO 0.66 0.47 1.14 0.20 -0.49 0.00 0.00 175.26 177.24 2bcm s GLY 105 N -0.50 1.58 0.00 -1.39 0.00 -1.26 -4.68 107.32 101.08 2bcm s GLY 105 Ca 0.29 -0.57 0.00 0.00 0.00 0.00 0.00 44.72 44.44 2bcm s GLY 105 CO 0.17 0.02 0.00 0.61 0.00 0.00 0.00 173.10 173.89 2bcm n GLY 106 N -2.15 0.57 3.77 0.20 0.00 0.75 -4.83 105.19 103.49 2bcm n GLY 106 Ca 0.07 -2.12 -0.35 0.00 0.00 0.00 0.00 46.02 43.62 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 5.59 -0.12 1.61 0.01 -1.26 -4.60 114.94 116.17 2bcm s ASN 107 Ca 0.00 2.23 -0.29 0.00 -0.71 0.00 0.00 52.86 54.09 2bcm s ASN 107 Cb 0.00 -2.59 0.07 0.00 0.41 0.00 0.00 41.25 39.15 2bcm s ASN 107 CO 0.00 -1.31 0.71 0.86 -1.51 0.00 0.00 177.10 175.85 2bcm s TRP 108 N -1.73 -0.68 -0.02 2.20 -0.00 -1.15 -5.01 118.94 112.55 2bcm s TRP 108 Ca 0.74 1.34 -0.03 0.00 -0.00 0.00 0.00 56.10 58.14 2bcm s TRP 108 Cb -0.26 0.37 0.00 0.00 -0.00 0.00 0.00 33.47 33.59 2bcm s TRP 108 CO 0.28 -0.53 0.08 0.20 -0.00 0.00 0.00 176.95 176.99 2bcm s GLY 109 N -0.72 -0.02 0.00 5.86 0.00 -1.26 -0.50 107.32 110.68 2bcm s GLY 109 Ca -0.07 0.10 0.00 0.00 0.00 0.00 0.00 44.72 44.75 2bcm s GLY 109 CO 0.07 0.05 0.00 0.61 0.00 0.00 0.00 173.10 173.83 2bcm n GLY 110 N 2.67 -0.70 2.90 0.20 0.00 -0.15 -5.01 105.19 105.11 2bcm n GLY 110 Ca -0.15 -0.42 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 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 0.09 -0.20 1.61 3.76 -1.26 -1.39 115.29 113.90 2bcm s HIS 111 Ca 0.00 -0.14 -0.03 0.00 -0.15 0.00 0.00 55.06 54.74 2bcm s HIS 111 Cb 0.00 -0.06 -0.00 0.00 1.11 0.00 0.00 32.58 33.62 2bcm s HIS 111 CO 0.00 -0.05 -0.08 0.08 -0.85 0.00 0.00 174.74 173.84 2bcm s VAL 112 N -0.39 3.13 0.24 -0.90 1.01 -0.10 -1.17 120.40 122.23 2bcm s VAL 112 Ca -0.04 -0.58 -0.28 0.00 0.00 0.00 0.00 61.98 61.08 2bcm s VAL 112 Cb -0.03 -2.40 -0.09 0.00 0.00 0.00 0.00 36.38 33.86 2bcm s VAL 112 CO -0.00 0.45 0.89 -0.83 0.00 0.00 0.00 175.10 175.62 2bcm s GLY 113 N 1.31 2.98 -0.12 4.51 0.00 0.32 -1.05 107.32 115.27 2bcm s GLY 113 Ca 0.04 0.52 0.00 0.00 0.00 0.00 0.00 44.72 45.28 2bcm s GLY 113 CO -0.04 1.04 -0.14 -0.42 0.00 0.00 0.00 173.10 173.54 2bcm s ILE 114 N -1.29 2.98 0.05 0.90 1.01 0.09 -1.73 121.20 123.22 2bcm s ILE 114 Ca 0.42 -0.69 -0.01 0.00 0.00 0.00 0.00 60.65 60.37 2bcm s ILE 114 Cb -0.23 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 2bcm s ILE 114 CO 0.28 0.53 -0.03 -0.94 0.00 0.00 0.00 174.94 174.78 2bcm s SER 115 N 0.29 0.55 0.22 3.58 1.04 -0.72 -0.79 113.70 117.86 2bcm s SER 115 Ca -0.10 -1.00 -0.31 0.00 0.48 0.00 0.00 55.95 55.02 2bcm s SER 115 Cb -0.16 0.19 -0.11 0.00 0.10 0.00 0.00 66.02 66.04 2bcm s SER 115 CO 0.06 -0.59 1.61 -0.69 0.98 0.00 0.00 173.24 174.61 2bcm s VAL 116 N -3.88 2.30 -0.59 5.02 1.01 -0.01 -1.25 120.40 123.00 2bcm s VAL 116 Ca 0.07 0.23 -0.04 0.00 0.00 0.00 0.00 61.98 62.24 2bcm s VAL 116 Cb 0.08 -3.15 0.15 0.00 0.00 0.00 0.00 36.38 33.46 2bcm s VAL 116 CO -0.09 0.02 0.42 -0.62 0.00 0.00 0.00 175.10 174.83 2bcm s ASP 117 N 0.94 5.40 0.00 3.32 2.15 -0.50 -0.97 116.67 127.00 2bcm s ASP 117 Ca 0.69 -2.63 0.00 0.00 0.43 0.00 0.00 52.55 51.05 2bcm s ASP 117 Cb -0.46 -1.89 0.00 0.00 -0.30 0.00 0.00 42.92 40.27 2bcm s ASP 117 CO 0.36 -0.44 0.00 0.61 -0.17 0.00 0.00 175.17 175.53 2bcm n GLY 118 N 3.83 0.20 3.70 2.66 0.00 -1.26 -4.64 105.19 109.68 2bcm n GLY 118 Ca 0.05 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 2bcm n GLY 118 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2bcm n ASN 119 N -0.49 4.03 -2.73 1.61 3.02 -1.26 -4.03 115.26 115.41 2bcm n ASN 119 Ca 0.00 1.02 -0.06 0.00 -0.03 0.00 0.00 54.58 55.51 2bcm n ASN 119 Cb 0.00 -1.56 0.04 0.00 -0.61 0.00 0.00 39.78 37.66 2bcm n ASN 119 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2bcm n GLN 120 N 4.96 1.36 0.00 3.52 6.02 -0.11 -4.92 117.38 128.20 2bcm n GLN 120 Ca 0.17 -3.20 0.08 0.00 -0.01 0.00 0.00 57.00 54.03 2bcm n GLN 120 Cb 0.36 -1.26 0.35 0.00 1.02 0.00 0.00 30.24 30.71 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 -0.32 0.85 1.45 5.09 -2.24 -1.23 -2.44 114.28 115.44 2bcm n THR 121 Ca 0.07 0.21 0.14 0.00 -2.27 0.00 0.00 64.05 62.20 2bcm n THR 121 Cb 0.82 -0.94 0.56 0.00 -2.10 0.00 0.00 70.33 68.67 2bcm n THR 121 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2bcm n ASP 122 N -1.46 0.82 -4.78 3.42 10.43 -1.26 -4.67 116.55 119.04 2bcm n ASP 122 Ca 0.04 -0.93 -0.36 0.00 2.57 0.00 0.00 54.79 56.12 2bcm n ASP 122 Cb 0.18 0.01 -0.02 0.00 1.84 0.00 0.00 41.12 43.12 2bcm n ASP 122 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 2bcm s LYS 123 N -2.31 3.87 0.69 -1.24 -0.14 -1.02 -5.03 119.74 114.56 2bcm s LYS 123 Ca 0.32 1.61 -0.11 0.00 -1.36 0.00 0.00 55.97 56.43 2bcm s LYS 123 Cb 0.20 -2.37 0.00 0.00 -1.68 0.00 0.00 37.83 33.98 2bcm s LYS 123 CO 0.44 -0.42 1.06 -1.25 -0.76 0.00 0.00 175.35 174.42 2bcm s PRO 124 N -2.75 3.01 0.66 -1.68 0.04 -1.26 -4.91 135.00 128.11 2bcm s PRO 124 Ca 0.63 0.87 -0.16 0.00 0.04 0.00 0.00 61.00 62.37 2bcm s PRO 124 Cb -0.24 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.30 2bcm s PRO 124 CO 0.29 -1.02 1.18 0.95 0.04 0.00 0.00 177.00 178.44 2bcm s THR 125 N -3.10 2.69 -5.00 1.26 -4.23 -1.26 -4.80 115.64 101.21 2bcm s THR 125 Ca 0.58 0.36 0.00 0.00 -1.18 0.00 0.00 61.69 61.45 2bcm s THR 125 Cb -0.13 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 70.73 2bcm s THR 125 CO 0.55 -0.16 0.00 0.61 -0.54 0.00 0.00 174.62 175.08 2bcm n GLY 126 N 0.18 0.93 3.67 3.99 0.00 -0.37 -4.92 105.19 108.67 2bcm n GLY 126 Ca 0.13 -1.93 -0.39 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.24 4.24 -0.03 1.61 2.12 -1.26 -0.96 118.70 123.18 2bcm s GLU 127 Ca 0.00 0.55 0.04 0.00 0.36 0.00 0.00 54.97 55.92 2bcm s GLU 127 Cb 0.00 -3.55 -0.03 0.00 0.26 0.00 0.00 34.13 30.81 2bcm s GLU 127 CO 0.00 -0.14 -0.12 0.71 -0.54 0.00 0.00 175.26 175.17 2bcm s TYR 128 N 1.59 2.76 0.04 5.30 2.02 0.79 -4.07 117.35 125.77 2bcm s TYR 128 Ca 0.28 -0.12 0.04 0.00 -0.37 0.00 0.00 57.07 56.90 2bcm s TYR 128 Cb -0.16 -1.61 -0.02 0.00 -0.40 0.00 0.00 41.96 39.77 2bcm s TYR 128 CO 0.11 0.26 -0.12 0.95 -1.57 0.00 0.00 175.55 175.18 2bcm s THR 129 N -0.84 0.97 -0.07 -0.71 -4.23 -0.36 -0.84 115.64 109.57 2bcm s THR 129 Ca 0.13 -0.96 -0.00 0.00 -1.18 0.00 0.00 61.69 59.68 2bcm s THR 129 Cb -0.11 -0.90 0.02 0.00 1.34 0.00 0.00 72.50 72.86 2bcm s THR 129 CO 0.03 -0.06 -0.03 -0.22 -0.54 0.00 0.00 174.62 173.81 2bcm s LEU 130 N -1.15 0.96 -0.12 4.79 2.96 0.19 -1.13 118.68 125.18 2bcm s LEU 130 Ca -0.00 -0.13 -0.02 0.00 -0.22 0.00 0.00 54.13 53.76 2bcm s LEU 130 Cb -0.08 -0.49 -0.03 0.00 0.50 0.00 0.00 46.19 46.09 2bcm s LEU 130 CO 0.01 -0.13 -0.06 0.20 -1.32 0.00 0.00 176.35 175.05 2bcm s ASN 131 N 1.51 4.61 -0.08 3.68 0.01 -1.26 -0.91 114.94 122.50 2bcm s ASN 131 Ca -0.02 -0.13 0.02 0.00 -0.71 0.00 0.00 52.86 52.03 2bcm s ASN 131 Cb -0.13 -1.56 0.01 0.00 0.41 0.00 0.00 41.25 39.98 2bcm s ASN 131 CO -0.03 0.23 -0.15 -0.76 -1.51 0.00 0.00 177.10 174.88 2bcm s LEU 132 N -0.02 1.73 -0.08 0.60 1.43 -0.69 -2.33 118.68 119.31 2bcm s LEU 132 Ca -0.00 -0.37 0.01 0.00 -1.03 0.00 0.00 54.13 52.74 2bcm s LEU 132 Cb -0.13 -0.98 -0.03 0.00 0.03 0.00 0.00 46.19 45.08 2bcm s LEU 132 CO 0.03 0.05 -0.09 -0.89 0.23 0.00 0.00 176.35 175.68 2bcm s THR 133 N 0.68 3.54 0.40 5.49 2.01 -0.01 -1.09 115.64 126.66 2bcm s THR 133 Ca -0.14 -0.53 -0.23 0.00 0.31 0.00 0.00 61.69 61.10 2bcm s THR 133 Cb -0.16 -2.45 -0.10 0.00 0.01 0.00 0.00 72.50 69.80 2bcm s THR 133 CO 0.04 0.58 0.96 -0.83 -0.69 0.00 0.00 174.62 174.68 2bcm s GLY 134 N -0.60 2.55 0.00 4.40 0.00 -0.11 -0.59 107.32 112.98 2bcm s GLY 134 Ca 0.09 0.47 0.00 0.00 0.00 0.00 0.00 44.72 45.28 2bcm s GLY 134 CO 0.02 0.81 0.00 0.61 0.00 0.00 0.00 173.10 174.54 2bcm n GLY 135 N -0.17 1.04 3.11 0.20 0.00 -0.31 -1.44 105.19 107.63 2bcm n GLY 135 Ca 0.05 -0.47 -0.08 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.66 0.55 -0.13 1.61 -0.85 -0.48 -1.04 117.35 115.35 2bcm s TYR 136 Ca 0.00 -1.06 -0.02 0.00 -0.52 0.00 0.00 57.07 55.47 2bcm s TYR 136 Cb 0.00 -0.38 -0.03 0.00 0.38 0.00 0.00 41.96 41.93 2bcm s TYR 136 CO 0.00 -0.42 -0.04 -0.46 -1.52 0.00 0.00 175.55 173.10 2bcm s TRP 137 N -3.94 3.02 0.19 -3.49 -0.11 0.15 -0.55 118.94 114.21 2bcm s TRP 137 Ca 0.10 -0.17 0.10 0.00 1.22 0.00 0.00 56.10 57.35 2bcm s TRP 137 Cb 0.08 -1.88 -0.04 0.00 -1.50 0.00 0.00 33.47 30.12 2bcm s TRP 137 CO -0.08 0.11 -0.20 0.95 -4.62 0.00 0.00 176.95 173.11 2bcm s THR 138 N -0.05 2.05 -0.69 5.86 -4.23 -0.24 -3.79 115.64 114.56 2bcm s THR 138 Ca 0.01 -2.01 0.05 0.00 -1.18 0.00 0.00 61.69 58.57 2bcm s THR 138 Cb -0.13 -1.98 0.04 0.00 1.34 0.00 0.00 72.50 71.77 2bcm s THR 138 CO 0.03 -0.27 0.67 0.59 -0.54 0.00 0.00 174.62 175.10