#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d6o n GLY 0 N 0.00 2.10 3.14 0.23 0.00 -1.26 -4.95 105.19 104.45 2d6o n GLY 0 Ca 0.00 -0.34 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 2d6o n GLY 0 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2d6o s MET 1 N 0.00 0.63 -0.03 1.61 0.00 -1.26 -5.13 119.30 115.12 2d6o s MET 1 Ca 0.00 -0.71 -0.30 0.00 0.00 0.00 0.00 55.69 54.68 2d6o s MET 1 Cb 0.00 0.25 -0.04 0.00 0.00 0.00 0.00 34.83 35.04 2d6o s MET 1 CO 0.00 -0.17 1.35 0.00 0.00 0.00 0.00 175.02 176.20 2d6o s ALA 2 N -2.61 3.57 0.02 3.16 0.00 -1.26 -5.02 121.76 119.62 2d6o s ALA 2 Ca -0.05 0.77 0.08 0.00 0.00 0.00 0.00 51.96 52.77 2d6o s ALA 2 Cb -0.01 -3.59 -0.02 0.00 0.00 0.00 0.00 23.12 19.50 2d6o s ALA 2 CO -0.04 -0.93 -0.24 -0.51 0.00 0.00 0.00 175.76 174.04 2d6o s LEU 3 N 2.56 2.12 0.03 0.00 1.43 -1.26 -4.42 118.68 119.14 2d6o s LEU 3 Ca 0.61 -0.51 0.06 0.00 -1.03 0.00 0.00 54.13 53.27 2d6o s LEU 3 Cb -0.29 -1.17 -0.02 0.00 0.03 0.00 0.00 46.19 44.74 2d6o s LEU 3 CO 0.24 0.24 -0.19 -0.36 0.23 0.00 0.00 176.35 176.51 2d6o s PHE 4 N -0.71 1.68 0.38 0.29 0.08 0.45 -4.92 117.98 115.23 2d6o s PHE 4 Ca 0.10 -0.35 -0.27 0.00 0.12 0.00 0.00 56.93 56.52 2d6o s PHE 4 Cb -0.09 -1.02 -0.10 0.00 -0.57 0.00 0.00 43.02 41.24 2d6o s PHE 4 CO 0.01 0.05 1.36 -1.54 -0.10 0.00 0.00 175.22 174.99 2d6o s SER 5 N -0.95 6.40 -0.01 1.36 1.04 -1.26 -0.55 113.70 119.73 2d6o s SER 5 Ca 0.06 2.78 0.08 0.00 0.48 0.00 0.00 55.95 59.36 2d6o s SER 5 Cb -0.08 -2.65 -0.12 0.00 0.10 0.00 0.00 66.02 63.26 2d6o s SER 5 CO 0.01 -0.80 0.20 0.00 0.98 0.00 0.00 173.24 173.63 2d6o n ALA 6 N 0.35 2.38 -3.53 5.32 0.00 0.67 -4.78 120.51 120.92 2d6o n ALA 6 Ca 0.02 -0.20 -0.17 0.00 0.00 0.00 0.00 53.44 53.09 2d6o n ALA 6 Cb 0.42 -0.29 -0.06 0.00 0.00 0.00 0.00 19.45 19.52 2d6o n ALA 6 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2d6o s GLN 7 N -2.50 1.02 0.50 0.00 0.74 -1.25 -5.03 119.66 113.14 2d6o s GLN 7 Ca -0.02 0.34 -0.23 0.00 0.05 0.00 0.00 55.36 55.50 2d6o s GLN 7 Cb 0.05 0.48 -0.06 0.00 1.10 0.00 0.00 33.01 34.58 2d6o s GLN 7 CO 0.34 -0.30 1.29 -1.12 -0.55 0.00 0.00 175.29 174.95 2d6o s SER 8 N -0.99 5.71 0.67 6.67 0.01 -1.26 -4.31 113.70 120.20 2d6o s SER 8 Ca -0.10 2.59 -0.16 0.00 1.31 0.00 0.00 55.95 59.60 2d6o s SER 8 Cb -0.01 -2.62 0.01 0.00 0.21 0.00 0.00 66.02 63.60 2d6o s SER 8 CO 0.09 -1.25 1.17 -2.16 0.41 0.00 0.00 173.24 171.49 2d6o s PRO 9 N -2.75 2.60 -0.30 12.44 0.04 -1.26 -4.85 135.00 140.92 2d6o s PRO 9 Ca 0.67 1.62 -0.21 0.00 0.04 0.00 0.00 61.00 63.12 2d6o s PRO 9 Cb -0.36 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.27 2d6o s PRO 9 CO 0.43 -1.45 0.67 0.71 0.04 0.00 0.00 177.00 177.41 2d6o s TYR 10 N -2.04 3.22 -0.12 0.56 4.12 -0.36 -4.96 117.35 117.78 2d6o s TYR 10 Ca 0.72 0.68 -0.04 0.00 0.02 0.00 0.00 57.07 58.46 2d6o s TYR 10 Cb -0.26 -3.02 -0.03 0.00 -1.52 0.00 0.00 41.96 37.13 2d6o s TYR 10 CO 0.41 -0.47 0.01 0.42 0.02 0.00 0.00 175.55 175.93 2d6o s ILE 11 N 2.68 4.34 -1.42 2.71 1.01 -1.26 -0.28 121.20 128.97 2d6o s ILE 11 Ca 0.27 -0.22 -0.10 0.00 0.00 0.00 0.00 60.65 60.61 2d6o s ILE 11 Cb -0.15 -2.87 0.01 0.00 0.01 0.00 0.00 42.46 39.46 2d6o s ILE 11 CO 0.11 0.55 0.28 0.59 0.00 0.00 0.00 174.94 176.47 2d6o n ASN 12 N 2.76 -0.79 -4.76 3.58 5.03 0.80 -4.90 115.26 116.99 2d6o n ASN 12 Ca -0.18 -1.23 -0.39 0.00 0.87 0.00 0.00 54.58 53.66 2d6o n ASN 12 Cb 0.53 -1.95 0.00 0.00 -1.02 0.00 0.00 39.78 37.35 2d6o n ASN 12 CO 0.00 0.00 0.00 -2.16 -1.83 0.00 0.00 177.26 173.27 2d6o s PRO 13 N -7.19 3.77 -0.02 3.52 0.04 -1.25 -4.97 135.00 128.91 2d6o s PRO 13 Ca 0.14 2.13 -0.30 0.00 0.04 0.00 0.00 61.00 63.02 2d6o s PRO 13 Cb -0.07 -2.61 -0.03 0.00 0.04 0.00 0.00 34.50 31.82 2d6o s PRO 13 CO 0.97 -0.65 1.04 0.42 0.04 0.00 0.00 177.00 178.82 2d6o s ILE 14 N -1.31 4.68 -0.04 0.56 1.01 -1.26 -4.50 121.20 120.34 2d6o s ILE 14 Ca 0.61 1.93 -0.15 0.00 0.00 0.00 0.00 60.65 63.03 2d6o s ILE 14 Cb -0.37 -4.24 -0.05 0.00 0.01 0.00 0.00 42.46 37.81 2d6o s ILE 14 CO 0.47 0.11 0.41 -0.63 0.00 0.00 0.00 174.94 175.30 2d6o s ILE 15 N 1.32 5.09 0.36 2.92 -1.09 -1.26 -2.88 121.20 125.65 2d6o s ILE 15 Ca 0.53 0.83 -0.27 0.00 -2.23 0.00 0.00 60.65 59.51 2d6o s ILE 15 Cb -0.22 -3.72 -0.09 0.00 -1.58 0.00 0.00 42.46 36.85 2d6o s ILE 15 CO 0.26 0.52 1.14 -2.16 -1.23 0.00 0.00 174.94 173.46 2d6o s PRO 16 N -0.63 4.27 -0.10 2.79 0.04 -1.26 -5.07 135.00 135.03 2d6o s PRO 16 Ca 0.23 1.81 -0.00 0.00 0.04 0.00 0.00 61.00 63.08 2d6o s PRO 16 Cb -0.16 -2.84 -0.02 0.00 0.04 0.00 0.00 34.50 31.52 2d6o s PRO 16 CO 0.12 -0.12 -0.09 0.12 0.04 0.00 0.00 177.00 177.06 2d6o s PHE 17 N -1.36 2.87 -0.08 0.56 5.36 0.16 -4.98 117.98 120.52 2d6o s PHE 17 Ca 0.53 -0.30 -0.00 0.00 -0.96 0.00 0.00 56.93 56.20 2d6o s PHE 17 Cb -0.30 -1.79 0.02 0.00 -0.34 0.00 0.00 43.02 40.61 2d6o s PHE 17 CO 0.39 0.05 -0.05 0.99 -1.46 0.00 0.00 175.22 175.14 2d6o s THR 18 N -0.16 0.73 0.15 0.12 2.01 -1.26 -0.42 115.64 116.81 2d6o s THR 18 Ca 0.01 -0.14 -0.12 0.00 0.31 0.00 0.00 61.69 61.75 2d6o s THR 18 Cb -0.13 -0.78 0.01 0.00 0.01 0.00 0.00 72.50 71.61 2d6o s THR 18 CO 0.03 0.30 0.34 -0.83 -0.69 0.00 0.00 174.62 173.78 2d6o s GLY 19 N 1.54 0.10 0.35 4.40 0.00 -0.40 -5.00 107.32 108.31 2d6o s GLY 19 Ca -0.00 -0.50 -0.27 0.00 0.00 0.00 0.00 44.72 43.95 2d6o s GLY 19 CO -0.04 -0.58 1.19 -4.14 0.00 0.00 0.00 173.10 169.52 2d6o s PRO 20 N -3.89 4.30 -0.49 2.90 0.02 -1.26 -0.76 135.00 135.83 2d6o s PRO 20 Ca 0.10 1.93 -0.16 0.00 0.02 0.00 0.00 61.00 62.90 2d6o s PRO 20 Cb 0.02 -2.93 0.09 0.00 0.02 0.00 0.00 34.50 31.70 2d6o s PRO 20 CO -0.06 -0.13 0.42 0.42 -0.33 0.00 0.00 177.00 177.33 2d6o s ILE 21 N -1.27 5.22 -0.19 2.83 1.01 0.85 -4.76 121.20 124.90 2d6o s ILE 21 Ca 0.51 -1.19 -0.29 0.00 0.00 0.00 0.00 60.65 59.68 2d6o s ILE 21 Cb -0.34 -4.18 -0.04 0.00 0.01 0.00 0.00 42.46 37.91 2d6o s ILE 21 CO 0.43 -0.66 1.76 -1.10 0.00 0.00 0.00 174.94 175.38 2d6o s GLN 22 N 1.63 3.72 0.00 2.79 -0.21 -1.26 -1.10 119.66 125.23 2d6o s GLN 22 Ca 0.04 1.83 0.00 0.00 0.02 0.00 0.00 55.36 57.25 2d6o s GLN 22 Cb -0.26 -4.11 0.00 0.00 1.00 0.00 0.00 33.01 29.64 2d6o s GLN 22 CO 0.06 -1.40 0.00 0.41 -2.12 0.00 0.00 175.29 172.24 2d6o n GLY 23 N 4.85 0.82 0.00 3.09 0.00 -1.26 -4.90 105.19 107.79 2d6o n GLY 23 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2d6o n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d6o n GLY 24 N -2.29 -0.93 3.74 -0.02 0.00 -0.25 -4.92 105.19 100.53 2d6o n GLY 24 Ca 0.00 -1.63 -0.38 0.00 0.00 0.00 0.00 46.02 44.01 2d6o n GLY 24 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2d6o s LEU 25 N -2.97 3.73 0.08 0.99 1.43 -0.64 -5.01 118.68 116.29 2d6o s LEU 25 Ca 0.00 2.68 0.04 0.00 -1.03 0.00 0.00 54.13 55.82 2d6o s LEU 25 Cb 0.00 -4.43 -0.03 0.00 0.03 0.00 0.00 46.19 41.76 2d6o s LEU 25 CO 0.00 -1.73 -0.11 0.00 0.23 0.00 0.00 176.35 174.74 2d6o s GLN 26 N -3.11 0.77 0.20 1.70 -2.07 -1.26 -4.25 119.66 111.64 2d6o s GLN 26 Ca 0.76 -1.02 -0.32 0.00 -1.82 0.00 0.00 55.36 52.96 2d6o s GLN 26 Cb -0.38 -0.56 -0.13 0.00 -1.09 0.00 0.00 33.01 30.84 2d6o s GLN 26 CO 0.43 0.10 1.56 -1.91 -1.32 0.00 0.00 175.29 174.16 2d6o n GLU 27 N 0.95 2.28 -0.74 9.60 2.13 -1.26 -1.60 120.64 132.01 2d6o n GLU 27 Ca -0.19 0.82 0.00 0.00 0.66 0.00 0.00 57.16 58.45 2d6o n GLU 27 Cb 0.56 -2.57 0.00 0.00 0.27 0.00 0.00 31.44 29.70 2d6o n GLU 27 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2d6o n GLY 28 N 3.02 1.11 3.73 8.31 0.00 0.10 -5.02 105.19 116.45 2d6o n GLY 28 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2d6o n GLY 28 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2d6o s LEU 29 N 0.00 4.40 -0.21 0.99 2.96 -0.63 -4.13 118.68 122.06 2d6o s LEU 29 Ca 0.00 2.43 -0.04 0.00 -0.22 0.00 0.00 54.13 56.30 2d6o s LEU 29 Cb 0.00 -3.61 -0.01 0.00 0.50 0.00 0.00 46.19 43.08 2d6o s LEU 29 CO 0.00 -0.59 -0.05 -1.10 -1.32 0.00 0.00 176.35 173.29 2d6o s GLN 30 N 0.17 3.37 -0.27 1.98 -0.21 0.16 -0.84 119.66 124.02 2d6o s GLN 30 Ca 0.59 -0.63 -0.06 0.00 0.02 0.00 0.00 55.36 55.28 2d6o s GLN 30 Cb -0.37 -2.98 0.00 0.00 1.00 0.00 0.00 33.01 30.66 2d6o s GLN 30 CO 0.37 -0.17 0.04 0.08 -2.12 0.00 0.00 175.29 173.49 2d6o s VAL 31 N 1.40 3.81 -0.12 1.09 1.01 -0.25 -1.22 120.40 126.12 2d6o s VAL 31 Ca 0.05 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.44 2d6o s VAL 31 Cb -0.14 -2.89 -0.01 0.00 0.00 0.00 0.00 36.38 33.34 2d6o s VAL 31 CO -0.03 0.20 -0.18 -0.89 0.00 0.00 0.00 175.10 174.19 2d6o s THR 32 N 1.50 2.57 -0.16 3.92 2.01 -0.47 -0.34 115.64 124.67 2d6o s THR 32 Ca 0.04 -0.83 -0.03 0.00 0.31 0.00 0.00 61.69 61.18 2d6o s THR 32 Cb -0.16 -2.04 -0.02 0.00 0.01 0.00 0.00 72.50 70.29 2d6o s THR 32 CO 0.01 0.54 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.65 2d6o s LEU 33 N 0.42 3.03 -0.16 4.42 1.02 0.19 -0.92 118.68 126.67 2d6o s LEU 33 Ca -0.13 -0.24 0.01 0.00 0.02 0.00 0.00 54.13 53.79 2d6o s LEU 33 Cb -0.17 -1.72 0.01 0.00 0.02 0.00 0.00 46.19 44.33 2d6o s LEU 33 CO 0.06 0.13 -0.20 -1.58 0.02 0.00 0.00 176.35 174.78 2d6o s GLN 34 N 0.58 3.05 0.00 1.70 2.00 -0.75 -0.09 119.66 126.15 2d6o s GLN 34 Ca -0.04 -0.82 0.00 0.00 -2.00 0.00 0.00 55.36 52.49 2d6o s GLN 34 Cb -0.15 -2.53 0.00 0.00 0.80 0.00 0.00 33.01 31.13 2d6o s GLN 34 CO 0.03 -0.08 0.00 0.41 -0.50 0.00 0.00 175.29 175.14 2d6o n GLY 35 N 4.28 1.81 3.08 2.59 0.00 -0.92 0.60 105.19 116.64 2d6o n GLY 35 Ca -0.20 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 44.96 2d6o n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2d6o s THR 36 N -2.55 -0.02 0.43 2.61 2.01 -0.29 -1.02 115.64 116.80 2d6o s THR 36 Ca 0.00 0.07 -0.21 0.00 0.31 0.00 0.00 61.69 61.86 2d6o s THR 36 Cb 0.00 -0.34 -0.11 0.00 0.01 0.00 0.00 72.50 72.06 2d6o s THR 36 CO 0.00 0.03 0.95 0.42 -0.69 0.00 0.00 174.62 175.32 2d6o s THR 37 N 0.62 4.40 0.66 -0.82 -4.23 -1.21 -1.16 115.64 113.90 2d6o s THR 37 Ca -0.04 1.47 -0.11 0.00 -1.18 0.00 0.00 61.69 61.82 2d6o s THR 37 Cb -0.06 -3.61 -0.02 0.00 1.34 0.00 0.00 72.50 70.16 2d6o s THR 37 CO -0.03 -0.33 1.06 -0.54 -0.54 0.00 0.00 174.62 174.23 2d6o s LYS 38 N -3.21 3.26 0.48 3.99 -0.14 0.62 -2.49 119.74 122.25 2d6o s LYS 38 Ca 0.62 0.65 0.23 0.00 -1.36 0.00 0.00 55.97 56.10 2d6o s LYS 38 Cb -0.09 -2.05 1.22 0.00 -1.68 0.00 0.00 37.83 35.23 2d6o s LYS 38 CO 0.14 -0.79 2.00 0.66 -0.76 0.00 0.00 175.35 176.60 2d6o h SER 39 N -0.48 0.00 -0.31 2.83 4.64 -1.91 -2.91 113.55 115.42 2d6o h SER 39 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2d6o h SER 39 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2d6o h SER 39 CO 0.62 0.18 0.00 2.22 -0.87 0.00 0.00 176.83 178.98 2d6o n PHE 40 N -3.78 0.40 -1.77 4.77 1.16 -1.26 -4.88 117.46 112.10 2d6o n PHE 40 Ca -0.02 -0.20 -0.41 0.00 -1.87 0.00 0.00 57.45 54.95 2d6o n PHE 40 Cb 0.29 0.00 -0.00 0.00 -1.61 0.00 0.00 39.48 38.15 2d6o n PHE 40 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2d6o n ALA 41 N 0.79 2.36 -0.03 1.98 0.00 -1.10 -4.92 120.51 119.59 2d6o n ALA 41 Ca 0.17 0.35 -0.04 0.00 0.00 0.00 0.00 53.44 53.92 2d6o n ALA 41 Cb 0.42 -2.42 -0.03 0.00 0.00 0.00 0.00 19.45 17.43 2d6o n ALA 41 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2d6o n GLN 42 N 0.64 0.66 -3.85 0.00 7.27 -1.26 -4.92 117.38 115.92 2d6o n GLN 42 Ca 0.02 0.03 -0.11 0.00 0.07 0.00 0.00 57.00 57.01 2d6o n GLN 42 Cb 0.38 -1.12 -0.09 0.00 2.41 0.00 0.00 30.24 31.83 2d6o n GLN 42 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 2d6o s ARG 43 N -2.12 0.65 0.13 3.69 0.52 -1.26 -0.12 118.95 120.44 2d6o s ARG 43 Ca -0.07 -0.60 -0.03 0.00 -0.52 0.00 0.00 55.73 54.52 2d6o s ARG 43 Cb 0.02 0.27 -0.03 0.00 0.52 0.00 0.00 34.95 35.73 2d6o s ARG 43 CO 0.14 -0.18 0.10 -0.59 0.02 0.00 0.00 175.30 174.79 2d6o s PHE 44 N -2.36 0.71 -0.02 -0.53 -0.12 -0.92 -4.18 117.98 110.57 2d6o s PHE 44 Ca -0.07 -1.10 0.01 0.00 -0.05 0.00 0.00 56.93 55.73 2d6o s PHE 44 Cb -0.02 -0.37 0.00 0.00 -0.63 0.00 0.00 43.02 42.00 2d6o s PHE 44 CO -0.03 -0.55 -0.05 0.08 -0.05 0.00 0.00 175.22 174.62 2d6o s VAL 45 N -4.02 0.44 -0.15 -2.49 1.01 -0.35 -3.15 120.40 111.70 2d6o s VAL 45 Ca 0.21 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 62.01 2d6o s VAL 45 Cb 0.07 -0.41 0.00 0.00 0.00 0.00 0.00 36.38 36.04 2d6o s VAL 45 CO 0.00 0.15 -0.18 -0.69 0.00 0.00 0.00 175.10 174.38 2d6o s VAL 46 N 0.20 2.40 -0.11 2.92 1.01 -0.37 -1.71 120.40 124.73 2d6o s VAL 46 Ca -0.02 -0.86 0.02 0.00 0.00 0.00 0.00 61.98 61.12 2d6o s VAL 46 Cb -0.06 -2.00 -0.01 0.00 0.00 0.00 0.00 36.38 34.31 2d6o s VAL 46 CO -0.00 0.53 -0.18 0.20 0.00 0.00 0.00 175.10 175.64 2d6o s ASN 47 N 0.89 3.57 -0.36 3.32 0.02 0.92 -1.05 114.94 122.24 2d6o s ASN 47 Ca -0.04 -0.44 -0.13 0.00 -1.02 0.00 0.00 52.86 51.23 2d6o s ASN 47 Cb -0.15 -1.50 -0.00 0.00 0.02 0.00 0.00 41.25 39.61 2d6o s ASN 47 CO -0.02 0.17 0.25 -0.36 0.02 0.00 0.00 177.10 177.15 2d6o s PHE 48 N 0.33 3.23 0.18 2.20 0.08 0.01 -0.91 117.98 123.09 2d6o s PHE 48 Ca -0.15 -0.40 0.00 0.00 0.12 0.00 0.00 56.93 56.51 2d6o s PHE 48 Cb -0.17 -2.50 -0.04 0.00 -0.57 0.00 0.00 43.02 39.74 2d6o s PHE 48 CO 0.07 -0.45 0.06 1.14 -0.10 0.00 0.00 175.22 175.94 2d6o s GLN 49 N 1.69 1.10 -0.36 0.44 -2.07 -0.15 -0.51 119.66 119.81 2d6o s GLN 49 Ca 0.05 -1.55 -0.11 0.00 -1.82 0.00 0.00 55.36 51.93 2d6o s GLN 49 Cb -0.18 0.04 0.01 0.00 -1.09 0.00 0.00 33.01 31.79 2d6o s GLN 49 CO 0.10 -0.26 0.21 1.21 -1.32 0.00 0.00 175.29 175.23 2d6o s ASN 50 N -3.14 5.79 0.21 12.60 2.47 -0.66 -1.75 114.94 130.46 2d6o s ASN 50 Ca 0.29 -0.77 0.00 0.00 0.42 0.00 0.00 52.86 52.81 2d6o s ASN 50 Cb 0.07 -2.06 0.00 0.00 -1.45 0.00 0.00 41.25 37.82 2d6o s ASN 50 CO 0.06 -0.32 0.00 -1.54 -3.72 0.00 0.00 177.10 171.58 2d6o n SER 51 N 5.03 -4.71 0.21 -4.21 3.41 -1.26 -4.56 113.62 107.53 2d6o n SER 51 Ca -0.12 0.82 0.10 0.00 -0.26 0.00 0.00 58.87 59.41 2d6o n SER 51 Cb 0.48 -2.30 0.21 0.00 -0.26 0.00 0.00 64.21 62.34 2d6o n SER 51 CO 0.00 0.00 0.00 2.19 -0.16 0.00 0.00 175.04 177.07 2d6o h PHE 52 N -0.70 0.00 0.00 7.33 -5.15 -1.98 -3.38 116.94 113.05 2d6o h PHE 52 Ca 0.02 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.78 2d6o h PHE 52 Cb 0.69 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 36.86 2d6o h PHE 52 CO 0.00 0.13 -0.03 -2.95 -2.00 0.00 0.00 178.31 173.47 2d6o h ASN 53 N 0.00 0.00 0.00 -0.68 7.08 -1.97 -3.47 115.58 116.54 2d6o h ASN 53 Ca -0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2d6o h ASN 53 Cb 1.02 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.26 2d6o h ASN 53 CO 0.02 0.03 0.00 0.61 -2.08 0.00 0.00 177.43 176.00 2d6o n GLY 54 N 1.07 0.61 0.20 9.14 0.00 -1.26 -4.91 105.19 110.03 2d6o n GLY 54 Ca 0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.15 2d6o n GLY 54 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2d6o h ASN 55 N 0.00 0.00 -3.40 1.61 4.21 -1.91 -3.41 115.58 112.68 2d6o h ASN 55 Ca 0.00 0.00 -0.59 0.00 1.21 0.00 0.00 56.30 56.92 2d6o h ASN 55 Cb 0.00 0.00 -0.39 0.00 -1.12 0.00 0.00 38.32 36.81 2d6o h ASN 55 CO 0.00 0.18 -0.76 -1.81 -1.29 0.00 0.00 177.43 173.75 2d6o s ASP 56 N -6.25 3.96 -0.26 5.81 1.01 -1.26 -1.20 116.67 118.47 2d6o s ASP 56 Ca 0.05 -1.48 0.02 0.00 0.71 0.00 0.00 52.55 51.85 2d6o s ASP 56 Cb 0.07 -1.05 0.06 0.00 1.01 0.00 0.00 42.92 43.00 2d6o s ASP 56 CO 0.68 -0.34 -0.09 -0.63 0.21 0.00 0.00 175.17 175.00 2d6o s ILE 57 N 1.46 2.32 0.30 0.77 1.01 0.03 -1.65 121.20 125.44 2d6o s ILE 57 Ca 0.04 -1.55 -0.01 0.00 0.00 0.00 0.00 60.65 59.13 2d6o s ILE 57 Cb -0.18 -2.34 0.21 0.00 0.01 0.00 0.00 42.46 40.16 2d6o s ILE 57 CO -0.14 -0.01 1.90 0.00 0.00 0.00 0.00 174.94 176.68 2d6o h ALA 58 N 7.82 1.33 -2.27 9.38 0.00 -1.03 0.05 119.26 134.53 2d6o h ALA 58 Ca -0.21 -0.13 -0.13 0.00 0.00 0.00 0.00 54.91 54.44 2d6o h ALA 58 Cb 1.05 -0.26 -0.29 0.00 0.00 0.00 0.00 17.79 18.28 2d6o h ALA 58 CO 0.48 0.53 -0.44 0.12 0.00 0.00 0.00 179.25 179.94 2d6o s PHE 59 N -5.54 -0.77 -0.23 0.00 5.36 -1.10 -4.54 117.98 111.16 2d6o s PHE 59 Ca -0.10 1.15 -0.06 0.00 -0.96 0.00 0.00 56.93 56.96 2d6o s PHE 59 Cb 0.17 0.14 -0.02 0.00 -0.34 0.00 0.00 43.02 42.96 2d6o s PHE 59 CO 0.79 -0.58 0.02 -1.58 -1.46 0.00 0.00 175.22 172.42 2d6o s HIS 60 N 2.56 3.04 -0.25 10.12 5.65 0.34 -0.81 115.29 135.94 2d6o s HIS 60 Ca 0.05 -0.59 -0.02 0.00 0.25 0.00 0.00 55.06 54.75 2d6o s HIS 60 Cb -0.14 -2.17 0.03 0.00 -1.18 0.00 0.00 32.58 29.12 2d6o s HIS 60 CO -0.14 -0.40 -0.06 0.12 -0.65 0.00 0.00 174.74 173.61 2d6o s PHE 61 N 1.48 3.06 -0.43 3.88 5.36 -0.22 -1.77 117.98 129.35 2d6o s PHE 61 Ca 0.06 -1.56 0.03 0.00 -0.96 0.00 0.00 56.93 54.49 2d6o s PHE 61 Cb -0.15 -2.06 0.16 0.00 -0.34 0.00 0.00 43.02 40.64 2d6o s PHE 61 CO 0.01 -0.73 0.31 1.21 -1.46 0.00 0.00 175.22 174.56 2d6o s ASN 62 N 1.32 2.41 0.25 6.13 2.47 0.54 -1.24 114.94 126.82 2d6o s ASN 62 Ca 0.00 -2.85 -0.31 0.00 0.42 0.00 0.00 52.86 50.12 2d6o s ASN 62 Cb -0.17 -0.60 -0.12 0.00 -1.45 0.00 0.00 41.25 38.91 2d6o s ASN 62 CO -0.05 -0.21 1.66 -2.84 -3.72 0.00 0.00 177.10 171.94 2d6o s PRO 63 N 0.23 4.12 -0.17 0.43 0.02 -1.19 -1.63 135.00 136.81 2d6o s PRO 63 Ca 0.26 2.60 -0.00 0.00 0.02 0.00 0.00 61.00 63.88 2d6o s PRO 63 Cb -0.07 -3.05 0.04 0.00 0.02 0.00 0.00 34.50 31.44 2d6o s PRO 63 CO -0.12 -0.69 -0.08 1.03 -0.33 0.00 0.00 177.00 176.81 2d6o s ARG 64 N 0.30 1.69 -1.47 5.54 0.52 0.84 -2.17 118.95 124.19 2d6o s ARG 64 Ca 0.69 -0.59 -0.09 0.00 -0.52 0.00 0.00 55.73 55.22 2d6o s ARG 64 Cb -0.49 -2.10 0.02 0.00 0.52 0.00 0.00 34.95 32.90 2d6o s ARG 64 CO 0.40 -0.40 2.59 1.19 0.02 0.00 0.00 175.30 179.10 2d6o n PHE 65 N 4.82 2.65 -4.05 -0.53 3.72 0.82 -1.82 117.46 123.07 2d6o n PHE 65 Ca -0.13 -2.96 -0.11 0.00 -0.05 0.00 0.00 57.45 54.20 2d6o n PHE 65 Cb 0.48 -2.23 -0.11 0.00 -0.94 0.00 0.00 39.48 36.68 2d6o n PHE 65 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2d6o s GLU 66 N 0.98 0.49 -1.29 -1.08 2.02 -1.26 -4.84 118.70 113.72 2d6o s GLU 66 Ca 0.59 -0.81 -0.07 0.00 0.02 0.00 0.00 54.97 54.69 2d6o s GLU 66 Cb 0.17 -0.10 0.05 0.00 0.10 0.00 0.00 34.13 34.35 2d6o s GLU 66 CO -0.07 -0.01 0.44 0.39 0.02 0.00 0.00 175.26 176.03 2d6o n GLU 67 N 1.22 -3.47 0.00 1.61 1.02 -1.26 -0.44 120.64 119.31 2d6o n GLU 67 Ca -0.21 0.56 0.00 0.00 -0.02 0.00 0.00 57.16 57.48 2d6o n GLU 67 Cb 0.56 -5.27 0.00 0.00 -0.02 0.00 0.00 31.44 26.71 2d6o n GLU 67 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2d6o n GLY 68 N -1.18 2.76 0.00 0.62 0.00 -1.26 -4.86 105.19 101.27 2d6o n GLY 68 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2d6o n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2d6o n GLY 69 N -2.00 2.12 3.68 -0.02 0.00 0.41 -4.77 105.19 104.61 2d6o n GLY 69 Ca 0.00 -1.13 -0.08 0.00 0.00 0.00 0.00 46.02 44.81 2d6o n GLY 69 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2d6o s TYR 70 N 0.00 0.19 -0.04 1.61 -0.85 -0.76 -3.45 117.35 114.05 2d6o s TYR 70 Ca 0.00 -0.59 0.02 0.00 -0.52 0.00 0.00 57.07 55.98 2d6o s TYR 70 Cb 0.00 0.37 0.01 0.00 0.38 0.00 0.00 41.96 42.72 2d6o s TYR 70 CO 0.00 -1.09 -0.09 0.08 -1.52 0.00 0.00 175.55 172.93 2d6o s VAL 71 N -3.93 0.84 -0.15 -3.49 1.01 -0.72 -0.12 120.40 113.85 2d6o s VAL 71 Ca 0.19 -0.34 -0.05 0.00 0.00 0.00 0.00 61.98 61.78 2d6o s VAL 71 Cb -0.03 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 2d6o s VAL 71 CO 0.09 0.28 0.03 -0.69 0.00 0.00 0.00 175.10 174.81 2d6o s VAL 72 N 0.54 4.56 -0.07 2.92 1.01 -0.65 -1.17 120.40 127.54 2d6o s VAL 72 Ca -0.09 -0.13 0.05 0.00 0.00 0.00 0.00 61.98 61.80 2d6o s VAL 72 Cb -0.13 -3.00 -0.01 0.00 0.00 0.00 0.00 36.38 33.24 2d6o s VAL 72 CO 0.01 0.52 -0.22 0.00 0.00 0.00 0.00 175.10 175.42 2d6o s ASN 74 N -0.09 0.07 0.00 0.00 3.84 -0.73 -1.15 114.94 116.88 2d6o s ASN 74 Ca -0.05 -1.07 0.04 0.00 0.21 0.00 0.00 52.86 51.99 2d6o s ASN 74 Cb -0.14 0.78 -0.01 0.00 -0.55 0.00 0.00 41.25 41.33 2d6o s ASN 74 CO 0.04 -1.53 -0.12 -0.89 -2.79 0.00 0.00 177.10 171.81 2d6o s THR 75 N -2.85 0.96 -0.10 -5.21 2.01 -1.26 -0.50 115.64 108.69 2d6o s THR 75 Ca 0.17 -0.63 0.03 0.00 0.31 0.00 0.00 61.69 61.57 2d6o s THR 75 Cb -0.04 -0.82 -0.01 0.00 0.01 0.00 0.00 72.50 71.63 2d6o s THR 75 CO 0.12 0.19 -0.19 -0.75 -0.69 0.00 0.00 174.62 173.30 2d6o s LYS 76 N -0.50 3.06 -0.10 4.92 2.20 0.00 -1.49 119.74 127.83 2d6o s LYS 76 Ca 0.04 -0.79 0.00 0.00 -0.36 0.00 0.00 55.97 54.86 2d6o s LYS 76 Cb -0.05 -2.42 0.02 0.00 -1.51 0.00 0.00 37.83 33.87 2d6o s LYS 76 CO -0.00 0.26 -0.08 -0.65 -0.36 0.00 0.00 175.35 174.52 2d6o s GLN 77 N 0.17 1.47 -1.53 4.03 -0.21 -0.40 -0.79 119.66 122.40 2d6o s GLN 77 Ca -0.11 -0.26 -0.13 0.00 0.02 0.00 0.00 55.36 54.88 2d6o s GLN 77 Cb -0.16 -1.47 0.08 0.00 1.00 0.00 0.00 33.01 32.47 2d6o s GLN 77 CO 0.06 -0.20 0.94 0.09 -2.12 0.00 0.00 175.29 174.07 2d6o n ASN 78 N 4.66 -4.82 0.00 5.90 4.13 -1.03 -1.33 115.26 122.77 2d6o n ASN 78 Ca -0.15 -0.74 0.00 0.00 1.68 0.00 0.00 54.58 55.37 2d6o n ASN 78 Cb 0.50 -3.85 0.00 0.00 -1.54 0.00 0.00 39.78 34.89 2d6o n ASN 78 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2d6o n GLY 79 N -1.65 0.60 3.26 7.41 0.00 -0.34 -5.03 105.19 109.43 2d6o n GLY 79 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.73 2d6o n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2d6o s GLN 80 N -0.11 3.21 0.38 1.61 -0.21 -0.44 -5.11 119.66 118.99 2d6o s GLN 80 Ca 0.00 -0.75 -0.25 0.00 0.02 0.00 0.00 55.36 54.37 2d6o s GLN 80 Cb 0.00 -2.63 -0.09 0.00 1.00 0.00 0.00 33.01 31.30 2d6o s GLN 80 CO 0.00 0.00 1.11 -1.58 -2.12 0.00 0.00 175.29 172.70 2d6o s TRP 81 N 0.85 3.24 0.00 0.91 0.52 -1.26 -1.28 118.94 121.92 2d6o s TRP 81 Ca -0.05 1.62 0.00 0.00 0.02 0.00 0.00 56.10 57.69 2d6o s TRP 81 Cb -0.15 -3.26 0.00 0.00 -1.15 0.00 0.00 33.47 28.91 2d6o s TRP 81 CO -0.01 -0.89 0.00 0.41 0.02 0.00 0.00 176.95 176.48 2d6o n GLY 82 N 0.62 0.84 3.70 0.98 0.00 -0.56 -4.97 105.19 105.79 2d6o n GLY 82 Ca 0.04 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.71 2d6o n GLY 82 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2d6o s PRO 83 N -0.22 4.30 0.41 1.61 0.04 -1.26 -4.87 135.00 135.00 2d6o s PRO 83 Ca 0.00 1.97 -0.25 0.00 0.04 0.00 0.00 61.00 62.76 2d6o s PRO 83 Cb 0.00 -3.49 -0.08 0.00 0.04 0.00 0.00 34.50 30.97 2d6o s PRO 83 CO 0.00 -0.52 1.14 -1.21 0.04 0.00 0.00 177.00 176.45 2d6o s GLU 84 N 2.03 4.04 -0.22 4.56 2.02 -1.26 -4.82 118.70 125.05 2d6o s GLU 84 Ca 0.63 1.75 -0.04 0.00 0.02 0.00 0.00 54.97 57.33 2d6o s GLU 84 Cb -0.32 -2.61 -0.01 0.00 0.10 0.00 0.00 34.13 31.29 2d6o s GLU 84 CO 0.27 -0.31 -0.02 -1.21 0.02 0.00 0.00 175.26 174.01 2d6o s GLU 85 N -2.39 3.45 -0.10 1.61 2.02 -0.30 -5.00 118.70 117.98 2d6o s GLU 85 Ca 0.58 -0.59 0.01 0.00 0.02 0.00 0.00 54.97 54.99 2d6o s GLU 85 Cb -0.28 -3.05 -0.02 0.00 0.10 0.00 0.00 34.13 30.88 2d6o s GLU 85 CO 0.35 -0.15 -0.13 1.03 0.02 0.00 0.00 175.26 176.38 2d6o s ARG 86 N 1.38 3.09 -0.23 1.61 0.52 -1.26 -0.49 118.95 123.56 2d6o s ARG 86 Ca 0.05 -0.68 -0.07 0.00 -0.52 0.00 0.00 55.73 54.50 2d6o s ARG 86 Cb -0.14 -2.55 -0.03 0.00 0.52 0.00 0.00 34.95 32.75 2d6o s ARG 86 CO -0.01 0.36 0.05 0.21 0.02 0.00 0.00 175.30 175.92 2d6o s LYS 87 N -0.03 3.64 -1.36 3.54 2.20 -0.32 -4.98 119.74 122.43 2d6o s LYS 87 Ca -0.03 -0.49 -0.10 0.00 -0.36 0.00 0.00 55.97 54.99 2d6o s LYS 87 Cb -0.14 -3.24 0.11 0.00 -1.51 0.00 0.00 37.83 33.04 2d6o s LYS 87 CO 0.04 -0.13 2.14 -1.33 -0.36 0.00 0.00 175.35 175.71 2d6o n MET 88 N 4.71 3.63 -3.55 4.03 2.81 -1.26 -1.76 117.12 125.73 2d6o n MET 88 Ca -0.17 -3.19 -0.17 0.00 -1.81 0.00 0.00 57.70 52.36 2d6o n MET 88 Cb 0.51 -2.94 -0.06 0.00 -0.71 0.00 0.00 33.22 30.02 2d6o n MET 88 CO 0.00 0.00 0.00 -1.14 1.51 0.00 0.00 175.97 176.34 2d6o s GLN 89 N 0.89 0.99 -0.30 0.03 0.74 -1.22 -4.95 119.66 115.83 2d6o s GLN 89 Ca 0.46 0.47 0.03 0.00 0.05 0.00 0.00 55.36 56.38 2d6o s GLN 89 Cb 0.13 0.47 0.08 0.00 1.10 0.00 0.00 33.01 34.79 2d6o s GLN 89 CO -0.04 -0.26 -0.03 1.41 -0.55 0.00 0.00 175.29 175.82 2d6o s MET 90 N -0.73 1.83 0.00 1.67 -2.45 -1.24 -3.90 119.30 114.48 2d6o s MET 90 Ca -0.08 -1.61 0.28 0.00 -1.25 0.00 0.00 55.69 53.04 2d6o s MET 90 Cb -0.01 -3.03 1.17 0.00 1.25 0.00 0.00 34.83 34.20 2d6o s MET 90 CO 0.07 -0.76 1.82 -0.35 1.05 0.00 0.00 175.02 176.86 2d6o n PRO 91 N 4.35 0.70 -3.96 4.11 -0.04 -1.26 -4.85 135.00 134.04 2d6o n PRO 91 Ca -0.05 -0.26 -0.26 0.00 -0.04 0.00 0.00 63.50 62.88 2d6o n PRO 91 Cb 0.42 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 32.35 2d6o n PRO 91 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2d6o s PHE 92 N -2.48 3.44 -0.06 0.54 0.08 -1.26 -4.93 117.98 113.30 2d6o s PHE 92 Ca 0.28 0.11 0.04 0.00 0.12 0.00 0.00 56.93 57.47 2d6o s PHE 92 Cb 0.20 -1.65 0.00 0.00 -0.57 0.00 0.00 43.02 41.00 2d6o s PHE 92 CO 0.48 0.52 -0.18 -0.65 -0.10 0.00 0.00 175.22 175.29 2d6o s GLN 93 N -3.17 2.12 0.29 0.44 1.11 -1.26 -5.10 119.66 114.08 2d6o s GLN 93 Ca 0.34 -0.64 -0.29 0.00 0.01 0.00 0.00 55.36 54.78 2d6o s GLN 93 Cb -0.11 -1.73 -0.13 0.00 -1.01 0.00 0.00 33.01 30.03 2d6o s GLN 93 CO 0.28 0.17 1.29 1.63 0.01 0.00 0.00 175.29 178.67 2d6o n LYS 94 N 3.42 1.95 -1.06 2.91 5.02 -1.26 -2.01 118.16 127.12 2d6o n LYS 94 Ca -0.20 0.69 -0.02 0.00 -2.02 0.00 0.00 58.31 56.76 2d6o n LYS 94 Cb 0.52 -2.27 -0.01 0.00 -0.02 0.00 0.00 35.03 33.26 2d6o n LYS 94 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2d6o n GLY 95 N 1.42 0.45 3.45 0.72 0.00 -1.04 -4.91 105.19 105.27 2d6o n GLY 95 Ca 0.08 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 2d6o n GLY 95 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2d6o s MET 96 N -1.39 1.92 0.71 1.61 -1.94 -0.85 -4.83 119.30 114.53 2d6o s MET 96 Ca 0.00 -1.07 -0.16 0.00 -1.71 0.00 0.00 55.69 52.75 2d6o s MET 96 Cb 0.00 -2.13 0.03 0.00 2.01 0.00 0.00 34.83 34.74 2d6o s MET 96 CO 0.00 0.52 1.23 -1.25 -0.01 0.00 0.00 175.02 175.50 2d6o s PRO 97 N -1.64 2.24 0.02 2.03 0.04 -1.26 -3.30 135.00 133.13 2d6o s PRO 97 Ca 0.15 1.84 -0.12 0.00 0.04 0.00 0.00 61.00 62.91 2d6o s PRO 97 Cb -0.10 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.61 2d6o s PRO 97 CO 0.06 -1.78 0.25 -0.59 0.04 0.00 0.00 177.00 174.99 2d6o s PHE 98 N -1.83 -0.06 -0.14 0.56 -0.12 -0.19 -4.89 117.98 111.30 2d6o s PHE 98 Ca 0.76 -0.02 0.00 0.00 -0.05 0.00 0.00 56.93 57.63 2d6o s PHE 98 Cb -0.31 0.04 -0.01 0.00 -0.63 0.00 0.00 43.02 42.11 2d6o s PHE 98 CO 0.44 -0.42 -0.15 -2.00 -0.05 0.00 0.00 175.22 173.03 2d6o s GLU 99 N -2.02 3.25 -0.15 1.99 2.12 -1.26 -2.16 118.70 120.48 2d6o s GLU 99 Ca -0.09 -0.74 0.00 0.00 0.36 0.00 0.00 54.97 54.50 2d6o s GLU 99 Cb -0.03 -2.60 0.03 0.00 0.26 0.00 0.00 34.13 31.79 2d6o s GLU 99 CO -0.00 0.10 -0.13 -1.17 -0.54 0.00 0.00 175.26 173.52 2d6o s LEU 100 N 0.62 1.68 -0.12 2.70 2.96 0.86 -0.60 118.68 126.79 2d6o s LEU 100 Ca -0.08 -0.51 0.03 0.00 -0.22 0.00 0.00 54.13 53.34 2d6o s LEU 100 Cb -0.16 -1.13 0.01 0.00 0.50 0.00 0.00 46.19 45.41 2d6o s LEU 100 CO 0.03 -0.08 -0.20 0.00 -1.32 0.00 0.00 176.35 174.78 2d6o s PHE 102 N 0.71 3.08 -0.23 0.00 0.08 0.54 -0.69 117.98 121.48 2d6o s PHE 102 Ca -0.11 -0.68 -0.08 0.00 0.12 0.00 0.00 56.93 56.18 2d6o s PHE 102 Cb -0.16 -2.23 -0.04 0.00 -0.57 0.00 0.00 43.02 40.02 2d6o s PHE 102 CO 0.02 -0.46 0.10 -1.17 -0.10 0.00 0.00 175.22 173.61 2d6o s LEU 103 N 1.56 3.76 -0.44 -0.37 2.96 0.67 -1.09 118.68 125.73 2d6o s LEU 103 Ca 0.05 -0.03 -0.24 0.00 -0.22 0.00 0.00 54.13 53.69 2d6o s LEU 103 Cb -0.16 -1.99 0.02 0.00 0.50 0.00 0.00 46.19 44.56 2d6o s LEU 103 CO 0.02 0.05 0.82 -0.69 -1.32 0.00 0.00 176.35 175.23 2d6o s VAL 104 N 1.14 4.62 0.46 1.68 1.01 -0.02 -1.14 120.40 128.15 2d6o s VAL 104 Ca 0.05 0.56 0.08 0.00 0.00 0.00 0.00 61.98 62.67 2d6o s VAL 104 Cb -0.14 -4.33 0.01 0.00 0.00 0.00 0.00 36.38 31.92 2d6o s VAL 104 CO 0.04 -0.71 0.50 -1.10 0.00 0.00 0.00 175.10 173.83 2d6o s GLN 105 N 3.37 2.54 0.25 2.72 -0.21 0.33 0.03 119.66 128.68 2d6o s GLN 105 Ca 0.32 -1.54 -0.04 0.00 0.02 0.00 0.00 55.36 54.11 2d6o s GLN 105 Cb -0.12 -2.48 0.38 0.00 1.00 0.00 0.00 33.01 31.79 2d6o s GLN 105 CO 0.23 -0.38 1.84 -0.09 -2.12 0.00 0.00 175.29 174.77 2d6o h ARG 106 N 0.75 0.89 0.00 2.91 2.43 -1.98 -3.25 114.38 116.14 2d6o h ARG 106 Ca -0.39 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 2d6o h ARG 106 Cb 1.28 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 2d6o h ARG 106 CO 0.51 0.59 -1.01 -1.13 -1.51 0.00 0.00 179.97 177.42 2d6o n SER 107 N -4.66 1.33 -3.70 -3.80 3.41 -1.26 -4.96 113.62 99.97 2d6o n SER 107 Ca 0.13 -0.42 -0.10 0.00 -0.26 0.00 0.00 58.87 58.22 2d6o n SER 107 Cb 0.23 1.25 -0.05 0.00 -0.26 0.00 0.00 64.21 65.38 2d6o n SER 107 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2d6o s GLU 108 N -2.44 1.03 0.12 4.33 2.02 -1.23 -1.83 118.70 120.71 2d6o s GLU 108 Ca 0.00 -0.79 -0.21 0.00 0.02 0.00 0.00 54.97 53.99 2d6o s GLU 108 Cb 0.08 0.44 -0.07 0.00 0.10 0.00 0.00 34.13 34.68 2d6o s GLU 108 CO 0.49 -0.39 0.66 -0.06 0.02 0.00 0.00 175.26 175.98 2d6o s PHE 109 N -3.83 3.83 -0.12 1.61 0.08 0.12 -0.52 117.98 119.15 2d6o s PHE 109 Ca 0.04 1.41 -0.01 0.00 0.12 0.00 0.00 56.93 58.50 2d6o s PHE 109 Cb 0.03 -2.60 -0.02 0.00 -0.57 0.00 0.00 43.02 39.85 2d6o s PHE 109 CO -0.11 0.53 -0.09 0.15 -0.10 0.00 0.00 175.22 175.60 2d6o s LYS 110 N -1.23 3.27 -0.17 0.44 -0.14 -0.30 -0.53 119.74 121.09 2d6o s LYS 110 Ca 0.33 -0.61 0.00 0.00 -1.36 0.00 0.00 55.97 54.33 2d6o s LYS 110 Cb -0.20 -2.69 0.01 0.00 -1.68 0.00 0.00 37.83 33.26 2d6o s LYS 110 CO 0.22 0.35 -0.16 0.08 -0.76 0.00 0.00 175.35 175.07 2d6o s VAL 111 N 0.03 2.50 -0.09 3.17 1.01 0.31 -0.23 120.40 127.10 2d6o s VAL 111 Ca -0.02 -0.81 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 2d6o s VAL 111 Cb -0.14 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 2d6o s VAL 111 CO 0.04 0.51 -0.05 -0.04 0.00 0.00 0.00 175.10 175.56 2d6o s MET 112 N 1.06 3.04 -0.13 2.72 1.00 0.13 -0.12 119.30 126.99 2d6o s MET 112 Ca -0.01 -0.53 0.02 0.00 0.00 0.00 0.00 55.69 55.18 2d6o s MET 112 Cb -0.14 -2.70 0.01 0.00 0.00 0.00 0.00 34.83 32.00 2d6o s MET 112 CO -0.05 0.55 -0.19 0.08 0.00 0.00 0.00 175.02 175.41 2d6o s VAL 113 N -0.49 1.85 -1.46 -6.03 1.01 0.63 -0.69 120.40 115.22 2d6o s VAL 113 Ca 0.07 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 61.13 2d6o s VAL 113 Cb -0.12 -1.66 0.05 0.00 0.00 0.00 0.00 36.38 34.65 2d6o s VAL 113 CO 0.02 0.51 0.76 0.59 0.00 0.00 0.00 175.10 176.98 2d6o n ASN 114 N 4.21 -2.58 0.00 3.32 3.02 0.23 -1.58 115.26 121.88 2d6o n ASN 114 Ca -0.20 -0.87 0.00 0.00 -0.03 0.00 0.00 54.58 53.49 2d6o n ASN 114 Cb 0.51 -3.63 0.00 0.00 -0.61 0.00 0.00 39.78 36.05 2d6o n ASN 114 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2d6o n LYS 115 N -4.47 -0.12 -4.63 3.52 5.02 -1.26 -5.00 118.16 111.23 2d6o n LYS 115 Ca -0.13 0.03 -0.34 0.00 -2.02 0.00 0.00 58.31 55.85 2d6o n LYS 115 Cb 0.60 -3.18 -0.12 0.00 -0.02 0.00 0.00 35.03 32.32 2d6o n LYS 115 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2d6o s LYS 116 N -0.35 2.88 0.31 1.97 1.02 -0.62 -5.06 119.74 119.89 2d6o s LYS 116 Ca 0.00 -0.56 -0.30 0.00 0.02 0.00 0.00 55.97 55.13 2d6o s LYS 116 Cb 0.00 -2.62 -0.11 0.00 -0.52 0.00 0.00 37.83 34.58 2d6o s LYS 116 CO 0.00 0.59 1.57 0.12 -0.92 0.00 0.00 175.35 176.70 2d6o s PHE 117 N -0.60 2.73 0.01 3.18 5.36 -1.26 -0.27 117.98 127.12 2d6o s PHE 117 Ca 0.09 0.87 -0.02 0.00 -0.96 0.00 0.00 56.93 56.91 2d6o s PHE 117 Cb -0.12 -4.05 -0.01 0.00 -0.34 0.00 0.00 43.02 38.50 2d6o s PHE 117 CO 0.02 -3.44 -0.04 0.34 -1.46 0.00 0.00 175.22 170.63 2d6o n PHE 118 N 1.83 0.00 -3.71 10.12 7.35 0.83 -4.81 117.46 129.08 2d6o n PHE 118 Ca 0.07 0.00 -0.14 0.00 -0.76 0.00 0.00 57.45 56.62 2d6o n PHE 118 Cb 0.38 -0.10 -0.08 0.00 0.35 0.00 0.00 39.48 40.04 2d6o n PHE 118 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2d6o s VAL 119 N -2.08 0.05 0.21 -2.13 0.11 -1.08 -5.02 120.40 110.46 2d6o s VAL 119 Ca -0.04 -0.43 0.07 0.00 -2.93 0.00 0.00 61.98 58.64 2d6o s VAL 119 Cb 0.01 -0.78 -0.04 0.00 -1.53 0.00 0.00 36.38 34.04 2d6o s VAL 119 CO 0.06 -0.24 0.10 0.00 -3.33 0.00 0.00 175.10 171.69 2d6o s GLN 120 N -1.71 2.70 -0.11 1.54 1.03 -1.26 -0.53 119.66 121.32 2d6o s GLN 120 Ca -0.10 -1.07 -0.04 0.00 0.04 0.00 0.00 55.36 54.19 2d6o s GLN 120 Cb -0.03 -2.48 0.05 0.00 0.03 0.00 0.00 33.01 30.59 2d6o s GLN 120 CO 0.03 0.43 0.11 -0.47 -2.54 0.00 0.00 175.29 172.85 2d6o s TYR 121 N -1.97 0.01 0.26 9.60 5.04 0.31 -4.98 117.35 125.63 2d6o s TYR 121 Ca 0.31 0.13 -0.30 0.00 -2.44 0.00 0.00 57.07 54.77 2d6o s TYR 121 Cb -0.09 -0.49 -0.10 0.00 0.35 0.00 0.00 41.96 41.63 2d6o s TYR 121 CO 0.22 -0.37 1.47 -0.65 -1.34 0.00 0.00 175.55 174.89 2d6o s GLN 122 N 2.21 4.23 0.13 4.97 -1.52 -1.26 -0.71 119.66 127.71 2d6o s GLN 122 Ca 0.04 2.37 -0.32 0.00 -1.95 0.00 0.00 55.36 55.50 2d6o s GLN 122 Cb -0.14 -3.08 -0.11 0.00 -0.22 0.00 0.00 33.01 29.46 2d6o s GLN 122 CO -0.07 -0.47 1.81 0.72 -0.25 0.00 0.00 175.29 177.04 2d6o n HIS 123 N 2.22 2.61 -0.03 0.91 8.25 -0.76 -4.88 115.22 123.53 2d6o n HIS 123 Ca 0.07 -0.10 -0.01 0.00 -0.26 0.00 0.00 57.72 57.42 2d6o n HIS 123 Cb 0.40 -2.71 -0.13 0.00 1.12 0.00 0.00 29.99 28.66 2d6o n HIS 123 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 2d6o n ARG 124 N 5.36 0.66 -4.24 -0.41 1.74 -1.26 -4.97 116.66 113.53 2d6o n ARG 124 Ca 0.18 0.04 -0.14 0.00 -0.77 0.00 0.00 57.85 57.16 2d6o n ARG 124 Cb 0.36 -1.63 -0.10 0.00 -1.02 0.00 0.00 32.46 30.07 2d6o n ARG 124 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2d6o s VAL 125 N -2.91 1.13 0.23 1.55 -7.23 -1.26 -5.12 120.40 106.79 2d6o s VAL 125 Ca -0.07 -2.05 -0.31 0.00 -1.81 0.00 0.00 61.98 57.75 2d6o s VAL 125 Cb 0.09 -1.83 -0.11 0.00 0.56 0.00 0.00 36.38 35.09 2d6o s VAL 125 CO 0.84 -0.75 1.61 -2.84 -0.31 0.00 0.00 175.10 173.65 2d6o s PRO 126 N -3.74 4.16 0.47 4.82 0.02 -1.26 -4.86 135.00 134.62 2d6o s PRO 126 Ca 0.16 2.50 0.27 0.00 0.02 0.00 0.00 61.00 63.95 2d6o s PRO 126 Cb 0.03 -3.08 0.97 0.00 0.02 0.00 0.00 34.50 32.43 2d6o s PRO 126 CO 0.00 -0.64 1.84 0.10 -0.33 0.00 0.00 177.00 177.96 2d6o h TYR 127 N 6.02 0.00 0.00 6.54 -0.00 -1.97 -3.00 116.97 124.56 2d6o h TYR 127 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.29 2d6o h TYR 127 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.94 2d6o h TYR 127 CO 0.62 0.14 0.00 1.12 -0.00 0.00 0.00 178.16 180.04 2d6o h HIS 128 N 0.00 0.00 0.00 0.10 2.07 -1.89 -0.55 115.15 114.88 2d6o h HIS 128 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2d6o h HIS 128 Cb 0.73 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.71 2d6o h HIS 128 CO 0.00 0.00 0.00 -0.07 -3.07 0.00 0.00 177.93 174.79 2d6o h LEU 129 N 0.00 0.00 -8.98 6.12 4.07 -1.86 -3.39 115.31 111.28 2d6o h LEU 129 Ca 0.00 0.00 -0.57 0.00 0.08 0.00 0.00 57.88 57.39 2d6o h LEU 129 Cb 0.56 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.25 2d6o h LEU 129 CO 0.00 0.00 0.94 -0.69 -1.08 0.00 0.00 178.44 177.61 2d6o s VAL 130 N -3.62 4.23 0.00 1.22 1.01 -0.21 -4.40 120.40 118.63 2d6o s VAL 130 Ca 0.01 1.40 0.00 0.00 0.00 0.00 0.00 61.98 63.39 2d6o s VAL 130 Cb 0.09 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.29 2d6o s VAL 130 CO 0.43 -0.44 0.68 -0.90 0.00 0.00 0.00 175.10 174.88 2d6o n ASP 131 N 7.36 1.22 -3.88 3.32 5.68 -0.77 -1.63 116.55 127.85 2d6o n ASP 131 Ca 0.14 -1.46 -0.13 0.00 -0.50 0.00 0.00 54.79 52.84 2d6o n ASP 131 Cb 0.46 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 40.30 2d6o n ASP 131 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2d6o s THR 132 N -0.46 0.09 -0.07 2.12 2.01 -0.71 -0.10 115.64 118.51 2d6o s THR 132 Ca 0.00 -0.04 0.02 0.00 0.31 0.00 0.00 61.69 61.98 2d6o s THR 132 Cb 0.00 -0.10 -0.03 0.00 0.01 0.00 0.00 72.50 72.39 2d6o s THR 132 CO 0.00 0.03 -0.11 -0.51 -0.69 0.00 0.00 174.62 173.34 2d6o s ILE 133 N 0.05 3.30 -0.05 1.82 2.07 0.06 -0.98 121.20 127.48 2d6o s ILE 133 Ca -0.00 -0.62 0.02 0.00 -1.41 0.00 0.00 60.65 58.64 2d6o s ILE 133 Cb -0.01 -2.33 0.01 0.00 0.13 0.00 0.00 42.46 40.26 2d6o s ILE 133 CO -0.00 0.58 -0.10 0.00 -1.91 0.00 0.00 174.94 173.51 2d6o s ALA 134 N -0.59 1.07 -0.09 1.50 0.00 -0.09 -1.28 121.76 122.28 2d6o s ALA 134 Ca 0.09 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 51.75 2d6o s ALA 134 Cb -0.11 -0.49 0.01 0.00 0.00 0.00 0.00 23.12 22.52 2d6o s ALA 134 CO 0.01 0.10 -0.17 0.08 0.00 0.00 0.00 175.76 175.79 2d6o s VAL 135 N 0.62 1.53 0.18 0.00 1.01 0.44 -0.06 120.40 124.12 2d6o s VAL 135 Ca -0.12 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.16 2d6o s VAL 135 Cb -0.14 -1.37 -0.04 0.00 0.00 0.00 0.00 36.38 34.83 2d6o s VAL 135 CO 0.02 0.44 0.10 -0.94 0.00 0.00 0.00 175.10 174.73 2d6o s SER 136 N 0.69 0.27 0.00 3.32 1.04 -0.69 -0.66 113.70 117.66 2d6o s SER 136 Ca -0.13 -1.32 0.00 0.00 0.48 0.00 0.00 55.95 54.98 2d6o s SER 136 Cb -0.16 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.30 2d6o s SER 136 CO 0.03 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.07 2d6o n GLY 137 N -0.22 2.56 3.54 7.32 0.00 -1.26 -1.21 105.19 115.93 2d6o n GLY 137 Ca -0.01 -2.09 -0.42 0.00 0.00 0.00 0.00 46.02 43.50 2d6o n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2d6o s LEU 139 N 4.09 0.06 0.23 0.00 0.05 -1.26 -0.27 118.68 121.57 2d6o s LEU 139 Ca 0.46 -0.56 0.10 0.00 0.05 0.00 0.00 54.13 54.19 2d6o s LEU 139 Cb 0.00 2.17 -0.05 0.00 -2.05 0.00 0.00 46.19 46.27 2d6o s LEU 139 CO -0.04 -1.10 -0.19 -1.59 -0.55 0.00 0.00 176.35 172.88 2d6o s LYS 140 N -3.90 1.50 -0.05 1.48 -2.85 -0.31 -4.85 119.74 110.76 2d6o s LYS 140 Ca 0.11 -1.62 0.05 0.00 -1.00 0.00 0.00 55.97 53.52 2d6o s LYS 140 Cb -0.02 -1.57 -0.01 0.00 -2.06 0.00 0.00 37.83 34.18 2d6o s LYS 140 CO 0.00 0.30 -0.21 -0.51 0.10 0.00 0.00 175.35 175.03 2d6o s LEU 141 N -3.15 2.00 0.07 2.77 1.43 -1.26 -1.14 118.68 119.39 2d6o s LEU 141 Ca 0.24 -0.44 -0.14 0.00 -1.03 0.00 0.00 54.13 52.77 2d6o s LEU 141 Cb -0.05 -1.18 -0.26 0.00 0.03 0.00 0.00 46.19 44.73 2d6o s LEU 141 CO 0.11 0.20 1.14 0.28 0.23 0.00 0.00 176.35 178.31 2d6o h SER 142 N 6.15 0.88 -4.58 2.29 0.02 -0.20 -3.34 113.55 114.77 2d6o h SER 142 Ca -0.32 -0.77 0.13 0.00 -0.84 0.00 0.00 61.79 59.99 2d6o h SER 142 Cb 1.17 -0.27 -0.16 0.00 0.14 0.00 0.00 62.40 63.28 2d6o h SER 142 CO 0.47 1.57 0.55 0.72 -1.14 0.00 0.00 176.83 179.00 2d6o s PHE 143 N -3.12 -0.31 -0.12 3.45 -0.12 -1.12 -0.14 117.98 116.50 2d6o s PHE 143 Ca -0.09 0.19 0.01 0.00 -0.05 0.00 0.00 56.93 56.99 2d6o s PHE 143 Cb 0.06 0.54 0.02 0.00 -0.63 0.00 0.00 43.02 43.00 2d6o s PHE 143 CO 0.93 -0.49 -0.15 0.42 -0.05 0.00 0.00 175.22 175.87 2d6o s ILE 144 N -3.00 1.56 0.30 -4.49 1.01 0.62 -1.80 121.20 115.38 2d6o s ILE 144 Ca 0.06 -0.66 0.08 0.00 0.00 0.00 0.00 60.65 60.13 2d6o s ILE 144 Cb -0.01 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.99 2d6o s ILE 144 CO -0.08 0.45 0.11 0.42 0.00 0.00 0.00 174.94 175.84 2d6o s THR 145 N 1.11 3.48 -0.15 2.92 -4.23 -0.10 -1.22 115.64 117.46 2d6o s THR 145 Ca -0.03 -1.69 -0.02 0.00 -1.18 0.00 0.00 61.69 58.76 2d6o s THR 145 Cb -0.14 -3.03 0.05 0.00 1.34 0.00 0.00 72.50 70.72 2d6o s THR 145 CO -0.04 -0.28 0.01 -0.36 -0.54 0.00 0.00 174.62 173.41 2d6o s PHE 146 N -2.33 0.94 0.02 3.99 0.08 -1.26 -1.36 117.98 118.07 2d6o s PHE 146 Ca 0.35 -0.61 0.01 0.00 0.12 0.00 0.00 56.93 56.79 2d6o s PHE 146 Cb -0.05 -0.97 -0.02 0.00 -0.57 0.00 0.00 43.02 41.41 2d6o s PHE 146 CO 0.22 -0.51 -0.04 -0.65 -0.10 0.00 0.00 175.22 174.15 2d6o s GLN 147 N 1.88 0.34 0.17 0.44 -0.21 -0.36 -0.24 119.66 121.68 2d6o s GLN 147 Ca 0.02 -0.55 0.07 0.00 0.02 0.00 0.00 55.36 54.92 2d6o s GLN 147 Cb -0.15 -0.05 -0.04 0.00 1.00 0.00 0.00 33.01 33.77 2d6o s GLN 147 CO -0.07 -0.01 -0.15 0.95 -2.12 0.00 0.00 175.29 173.90 2d6o s THR 148 N -1.17 1.60 -2.00 -0.19 -4.23 0.29 0.35 115.64 110.30 2d6o s THR 148 Ca -0.11 -2.02 0.22 0.00 -1.18 0.00 0.00 61.69 58.60 2d6o s THR 148 Cb -0.08 -1.87 0.63 0.00 1.34 0.00 0.00 72.50 72.53 2d6o s THR 148 CO -0.00 -0.51 1.71 0.00 -0.54 0.00 0.00 174.62 175.27