#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dsn s ASP 2 N 0.00 6.39 -0.03 0.00 -0.00 -1.26 -5.08 116.67 116.69 3dsn s ASP 2 Ca 0.00 0.46 0.04 0.00 -0.00 0.00 0.00 52.55 53.06 3dsn s ASP 2 Cb 0.00 -2.22 -0.03 0.00 -0.00 0.00 0.00 42.92 40.67 3dsn s ASP 2 CO 0.00 -0.09 -0.15 -0.76 -0.00 0.00 0.00 175.17 174.16 3dsn s LEU 3 N 1.45 2.69 0.19 1.23 1.43 -1.26 -5.14 118.68 119.27 3dsn s LEU 3 Ca 0.18 -0.25 0.11 0.00 -1.03 0.00 0.00 54.13 53.14 3dsn s LEU 3 Cb -0.15 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 3dsn s LEU 3 CO 0.08 0.33 -0.22 0.42 0.23 0.00 0.00 176.35 177.18 3dsn s THR 4 N -0.77 2.22 0.26 5.49 -4.23 -1.26 -5.15 115.64 112.20 3dsn s THR 4 Ca 0.12 -2.01 -0.07 0.00 -1.18 0.00 0.00 61.69 58.55 3dsn s THR 4 Cb -0.11 -2.05 -0.01 0.00 1.34 0.00 0.00 72.50 71.67 3dsn s THR 4 CO 0.01 -0.17 0.38 0.00 -0.54 0.00 0.00 174.62 174.30 3dsn s ALA 5 N -1.78 0.39 0.03 3.99 0.00 -1.26 -5.19 121.76 117.94 3dsn s ALA 5 Ca 0.20 -1.25 -0.11 0.00 0.00 0.00 0.00 51.96 50.79 3dsn s ALA 5 Cb -0.07 1.18 0.01 0.00 0.00 0.00 0.00 23.12 24.24 3dsn s ALA 5 CO 0.09 -0.77 0.23 -1.54 0.00 0.00 0.00 175.76 173.78 3dsn s SER 6 N -3.11 -0.03 0.07 0.00 1.04 -1.26 -5.16 113.70 105.25 3dsn s SER 6 Ca 0.29 -0.27 -0.19 0.00 0.48 0.00 0.00 55.95 56.26 3dsn s SER 6 Cb 0.02 0.31 0.04 0.00 0.10 0.00 0.00 66.02 66.48 3dsn s SER 6 CO 0.12 -0.55 0.46 0.12 0.98 0.00 0.00 173.24 174.37 3dsn s PHE 7 N -2.38 -0.32 -0.33 5.02 5.36 -1.26 -5.13 117.98 118.94 3dsn s PHE 7 Ca -0.06 0.24 -0.18 0.00 -0.96 0.00 0.00 56.93 55.97 3dsn s PHE 7 Cb -0.02 0.29 -0.01 0.00 -0.34 0.00 0.00 43.02 42.94 3dsn s PHE 7 CO -0.03 -0.64 0.52 0.99 -1.46 0.00 0.00 175.22 174.60 3dsn s THR 8 N -2.83 5.02 0.23 0.12 2.01 -1.26 -5.06 115.64 113.88 3dsn s THR 8 Ca -0.03 0.49 -0.30 0.00 0.31 0.00 0.00 61.69 62.16 3dsn s THR 8 Cb -0.00 -3.93 -0.09 0.00 0.01 0.00 0.00 72.50 68.49 3dsn s THR 8 CO -0.05 -0.14 1.06 0.00 -0.69 0.00 0.00 174.62 174.80 3dsn s ALA 9 N 2.39 3.38 0.07 7.40 0.00 -1.26 -5.07 121.76 128.66 3dsn s ALA 9 Ca 0.20 0.80 0.07 0.00 0.00 0.00 0.00 51.96 53.03 3dsn s ALA 9 Cb -0.15 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.63 3dsn s ALA 9 CO 0.12 -0.09 -0.20 0.95 0.00 0.00 0.00 175.76 176.55 3dsn s THR 10 N -0.85 1.60 0.02 0.00 -4.23 -1.26 -5.15 115.64 105.77 3dsn s THR 10 Ca 0.45 -1.32 0.00 0.00 -1.18 0.00 0.00 61.69 59.65 3dsn s THR 10 Cb -0.30 -1.43 -0.02 0.00 1.34 0.00 0.00 72.50 72.10 3dsn s THR 10 CO 0.37 0.06 -0.03 0.00 -0.54 0.00 0.00 174.62 174.47 3dsn s ALA 11 N -0.97 0.17 -0.22 3.99 0.00 -1.26 -5.13 121.76 118.33 3dsn s ALA 11 Ca 0.06 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.42 3dsn s ALA 11 Cb -0.09 0.14 0.03 0.00 0.00 0.00 0.00 23.12 23.19 3dsn s ALA 11 CO 0.03 -0.14 -0.12 0.99 0.00 0.00 0.00 175.76 176.52 3dsn s THR 12 N -1.43 2.47 -0.12 0.00 2.01 -1.26 -5.11 115.64 112.21 3dsn s THR 12 Ca -0.15 -1.09 -0.02 0.00 0.31 0.00 0.00 61.69 60.74 3dsn s THR 12 Cb -0.10 -2.22 -0.03 0.00 0.01 0.00 0.00 72.50 70.17 3dsn s THR 12 CO -0.01 0.29 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.41 3dsn s LEU 13 N 1.28 3.31 0.11 4.42 1.43 -1.26 -5.12 118.68 122.85 3dsn s LEU 13 Ca 0.00 -0.04 0.10 0.00 -1.03 0.00 0.00 54.13 53.16 3dsn s LEU 13 Cb -0.16 -1.77 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 3dsn s LEU 13 CO -0.08 0.26 -0.26 0.68 0.23 0.00 0.00 176.35 177.18 3dsn s VAL 14 N -0.16 2.15 -0.35 -1.59 -7.23 -1.26 -5.10 120.40 106.86 3dsn s VAL 14 Ca 0.03 -1.67 -0.05 0.00 -1.81 0.00 0.00 61.98 58.48 3dsn s VAL 14 Cb -0.13 -1.90 0.06 0.00 0.56 0.00 0.00 36.38 34.97 3dsn s VAL 14 CO 0.02 0.10 0.11 -0.70 -0.31 0.00 0.00 175.10 174.33 3dsn s GLU 15 N -1.92 2.45 0.91 4.82 2.56 -1.26 -5.09 118.70 121.18 3dsn s GLU 15 Ca 0.12 -1.35 -0.11 0.00 0.00 0.00 0.00 54.97 53.64 3dsn s GLU 15 Cb -0.10 -3.44 0.14 0.00 2.00 0.00 0.00 34.13 32.73 3dsn s GLU 15 CO 0.05 -0.76 1.12 -1.25 -0.56 0.00 0.00 175.26 173.86 3dsn s PRO 16 N 1.32 1.07 -0.87 4.30 0.04 -1.26 -4.98 135.00 134.61 3dsn s PRO 16 Ca -0.00 1.32 -0.16 0.00 0.04 0.00 0.00 61.00 62.19 3dsn s PRO 16 Cb -0.21 -1.75 0.17 0.00 0.04 0.00 0.00 34.50 32.76 3dsn s PRO 16 CO 0.00 -2.52 0.94 0.00 0.04 0.00 0.00 177.00 175.46 3dsn s ALA 17 N -2.71 3.73 -0.25 8.56 0.00 -1.26 -4.93 121.76 124.90 3dsn s ALA 17 Ca 0.65 -3.04 -0.13 0.00 0.00 0.00 0.00 51.96 49.45 3dsn s ALA 17 Cb -0.21 -3.77 -0.04 0.00 0.00 0.00 0.00 23.12 19.09 3dsn s ALA 17 CO 0.58 -2.62 0.26 1.03 0.00 0.00 0.00 175.76 175.02 3dsn s ARG 18 N 1.42 4.05 -0.13 0.00 0.52 -1.26 -5.08 118.95 118.47 3dsn s ARG 18 Ca 0.25 -0.12 0.02 0.00 -0.52 0.00 0.00 55.73 55.36 3dsn s ARG 18 Cb -0.08 -3.60 0.01 0.00 0.52 0.00 0.00 34.95 31.81 3dsn s ARG 18 CO -0.09 -0.10 -0.18 0.42 0.02 0.00 0.00 175.30 175.37 3dsn s ILE 19 N 1.53 1.79 0.27 1.52 -1.09 -1.26 -2.09 121.20 121.87 3dsn s ILE 19 Ca 0.11 -0.81 0.11 0.00 -2.23 0.00 0.00 60.65 57.84 3dsn s ILE 19 Cb -0.15 -1.61 -0.05 0.00 -1.58 0.00 0.00 42.46 39.08 3dsn s ILE 19 CO 0.08 0.50 -0.13 0.42 -1.23 0.00 0.00 174.94 174.57 3dsn s THR 20 N 0.98 2.82 -0.10 2.92 -4.23 0.24 -4.96 115.64 113.31 3dsn s THR 20 Ca -0.05 -2.21 -0.04 0.00 -1.18 0.00 0.00 61.69 58.22 3dsn s THR 20 Cb -0.15 -2.48 0.05 0.00 1.34 0.00 0.00 72.50 71.26 3dsn s THR 20 CO -0.03 -0.37 0.20 -0.22 -0.54 0.00 0.00 174.62 173.66 3dsn s LEU 21 N -3.50 0.13 -0.17 4.79 2.96 -1.26 -1.31 118.68 120.33 3dsn s LEU 21 Ca 0.30 0.43 -0.05 0.00 -0.22 0.00 0.00 54.13 54.59 3dsn s LEU 21 Cb -0.06 0.50 -0.03 0.00 0.50 0.00 0.00 46.19 47.10 3dsn s LEU 21 CO 0.16 -0.21 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.08 3dsn s THR 22 N 1.88 4.09 -0.31 3.68 2.01 0.28 -4.96 115.64 122.31 3dsn s THR 22 Ca -0.03 -0.29 -0.06 0.00 0.31 0.00 0.00 61.69 61.63 3dsn s THR 22 Cb -0.12 -2.81 0.03 0.00 0.01 0.00 0.00 72.50 69.61 3dsn s THR 22 CO -0.07 0.48 0.07 -0.47 -0.69 0.00 0.00 174.62 173.94 3dsn s TYR 23 N 0.43 3.20 -0.45 4.92 5.04 -1.26 -0.54 117.35 128.69 3dsn s TYR 23 Ca -0.02 -1.32 -0.16 0.00 -2.44 0.00 0.00 57.07 53.13 3dsn s TYR 23 Cb -0.14 -2.23 0.05 0.00 0.35 0.00 0.00 41.96 39.99 3dsn s TYR 23 CO 0.02 -0.68 0.38 0.21 -1.34 0.00 0.00 175.55 174.14 3dsn s LYS 24 N 1.42 3.00 0.21 4.97 2.20 0.06 -4.96 119.74 126.64 3dsn s LYS 24 Ca -0.00 -1.16 -0.32 0.00 -0.36 0.00 0.00 55.97 54.13 3dsn s LYS 24 Cb -0.18 -4.07 -0.15 0.00 -1.51 0.00 0.00 37.83 31.92 3dsn s LYS 24 CO 0.02 -0.93 1.17 -1.91 -0.36 0.00 0.00 175.35 173.34 3dsn n GLU 25 N 5.29 1.36 -0.52 4.03 2.13 -1.26 -1.07 120.64 130.59 3dsn n GLU 25 Ca -0.11 0.48 0.00 0.00 0.66 0.00 0.00 57.16 58.19 3dsn n GLU 25 Cb 0.45 -1.98 0.00 0.00 0.27 0.00 0.00 31.44 30.18 3dsn n GLU 25 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3dsn n GLY 26 N 1.88 0.58 3.76 8.31 0.00 -0.31 -4.84 105.19 114.57 3dsn n GLY 26 Ca 0.13 -1.92 -0.38 0.00 0.00 0.00 0.00 46.02 43.86 3dsn n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dsn s ALA 27 N -2.89 2.91 0.39 4.61 0.00 -1.25 -4.95 121.76 120.58 3dsn s ALA 27 Ca 0.00 1.09 -0.25 0.00 0.00 0.00 0.00 51.96 52.80 3dsn s ALA 27 Cb 0.00 -3.45 -0.11 0.00 0.00 0.00 0.00 23.12 19.55 3dsn s ALA 27 CO 0.00 -0.94 1.06 -2.30 0.00 0.00 0.00 175.76 173.58 3dsn n PRO 28 N -0.72 1.48 -3.77 0.00 -0.02 -1.26 -4.89 135.00 125.82 3dsn n PRO 28 Ca 0.09 0.53 -0.36 0.00 -2.02 0.00 0.00 63.50 61.73 3dsn n PRO 28 Cb 0.47 -2.07 -0.11 0.00 -0.02 0.00 0.00 33.50 31.77 3dsn n PRO 28 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3dsn s ILE 29 N -1.22 4.84 0.01 4.25 1.01 -1.26 -5.08 121.20 123.75 3dsn s ILE 29 Ca 0.61 0.00 -0.18 0.00 0.00 0.00 0.00 60.65 61.08 3dsn s ILE 29 Cb -0.58 -3.25 -0.06 0.00 0.01 0.00 0.00 42.46 38.58 3dsn s ILE 29 CO 0.58 0.35 0.51 -0.89 0.00 0.00 0.00 174.94 175.49 3dsn s THR 30 N 1.22 4.91 -0.06 2.92 2.01 -1.26 -5.08 115.64 120.30 3dsn s THR 30 Ca 0.06 1.08 -0.18 0.00 0.31 0.00 0.00 61.69 62.96 3dsn s THR 30 Cb -0.14 -3.84 -0.05 0.00 0.01 0.00 0.00 72.50 68.48 3dsn s THR 30 CO 0.05 0.51 0.48 -0.63 -0.69 0.00 0.00 174.62 174.33 3dsn s ILE 31 N -0.72 5.09 1.06 1.82 1.01 -1.26 -4.51 121.20 123.69 3dsn s ILE 31 Ca 0.27 0.97 -0.14 0.00 0.00 0.00 0.00 60.65 61.75 3dsn s ILE 31 Cb -0.18 -3.81 0.22 0.00 0.01 0.00 0.00 42.46 38.71 3dsn s ILE 31 CO 0.16 0.41 1.09 -0.04 0.00 0.00 0.00 174.94 176.56 3dsn s MET 32 N 0.00 -0.11 0.24 2.79 -1.94 0.60 -4.93 119.30 115.95 3dsn s MET 32 Ca 0.26 0.38 -0.05 0.00 -1.71 0.00 0.00 55.69 54.57 3dsn s MET 32 Cb -0.16 -1.69 0.44 0.00 2.01 0.00 0.00 34.83 35.43 3dsn s MET 32 CO 0.12 -3.06 1.74 -0.44 -0.01 0.00 0.00 175.02 173.37 3dsn h ASP 33 N -2.13 0.32 -0.12 3.03 3.45 -1.99 -2.73 116.42 116.25 3dsn h ASP 33 Ca -0.53 0.10 0.00 0.00 0.43 0.00 0.00 57.03 57.03 3dsn h ASP 33 Cb 1.33 0.07 0.00 0.00 -0.56 0.00 0.00 39.33 40.16 3dsn h ASP 33 CO 0.52 0.13 0.00 -0.46 -1.57 0.00 0.00 179.24 177.87 3dsn n ASN 34 N -4.97 1.99 0.00 6.45 0.23 -1.26 -4.87 115.26 112.83 3dsn n ASN 34 Ca 0.14 -2.20 0.00 0.00 -0.53 0.00 0.00 54.58 51.99 3dsn n ASN 34 Cb 0.39 -0.53 0.00 0.00 -2.08 0.00 0.00 39.78 37.56 3dsn n ASN 34 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3dsn n GLY 35 N 0.15 0.55 3.95 4.83 0.00 -1.03 -4.61 105.19 109.03 3dsn n GLY 35 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 3dsn n GLY 35 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3dsn s ASN 36 N -2.30 6.19 0.23 1.61 0.01 -1.26 -1.23 114.94 118.18 3dsn s ASN 36 Ca 0.00 0.39 0.11 0.00 -0.71 0.00 0.00 52.86 52.65 3dsn s ASN 36 Cb 0.00 -1.90 -0.05 0.00 0.41 0.00 0.00 41.25 39.72 3dsn s ASN 36 CO 0.00 -0.38 -0.17 0.27 -1.51 0.00 0.00 177.10 175.31 3dsn s ILE 37 N -2.36 2.70 0.78 0.60 -4.36 -1.26 -0.29 121.20 117.02 3dsn s ILE 37 Ca 0.42 -2.05 -0.14 0.00 -0.26 0.00 0.00 60.65 58.62 3dsn s ILE 37 Cb -0.10 -2.36 0.07 0.00 1.25 0.00 0.00 42.46 41.32 3dsn s ILE 37 CO 0.36 -0.23 1.21 -0.62 0.24 0.00 0.00 174.94 175.90 3dsn s ASP 38 N -3.08 3.79 0.06 4.36 3.68 -1.26 -4.93 116.67 119.29 3dsn s ASP 38 Ca 0.26 2.36 -0.02 0.00 2.13 0.00 0.00 52.55 57.28 3dsn s ASP 38 Cb -0.07 -2.59 -0.04 0.00 -1.45 0.00 0.00 42.92 38.77 3dsn s ASP 38 CO 0.14 -2.53 0.24 0.28 0.13 0.00 0.00 175.17 173.43 3dsn s THR 39 N -2.09 5.35 -0.29 1.71 -1.32 -1.26 -4.48 115.64 113.25 3dsn s THR 39 Ca 0.74 -0.21 0.00 0.00 -1.21 0.00 0.00 61.69 61.00 3dsn s THR 39 Cb -0.29 -3.61 0.00 0.00 -1.51 0.00 0.00 72.50 67.10 3dsn s THR 39 CO 0.49 0.18 0.00 -0.62 -2.21 0.00 0.00 174.62 172.46 3dsn n GLU 40 N 0.46 -0.53 -2.10 7.08 -0.58 -0.43 -4.97 120.64 119.57 3dsn n GLU 40 Ca -0.06 0.40 -0.41 0.00 -0.42 0.00 0.00 57.16 56.66 3dsn n GLU 40 Cb 0.52 -3.98 -0.02 0.00 -0.57 0.00 0.00 31.44 27.38 3dsn n GLU 40 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3dsn s LEU 41 N -0.62 4.41 -0.75 -4.62 1.43 -1.26 -4.78 118.68 112.49 3dsn s LEU 41 Ca 0.00 2.59 -0.26 0.00 -1.03 0.00 0.00 54.13 55.43 3dsn s LEU 41 Cb 0.00 -3.63 0.02 0.00 0.03 0.00 0.00 46.19 42.61 3dsn s LEU 41 CO 0.00 -0.60 1.45 -0.22 0.23 0.00 0.00 176.35 177.21 3dsn s LEU 42 N -0.70 3.23 0.18 1.79 2.96 -1.26 -1.60 118.68 123.27 3dsn s LEU 42 Ca 0.55 -0.41 -0.10 0.00 -0.22 0.00 0.00 54.13 53.95 3dsn s LEU 42 Cb -0.40 -2.55 0.07 0.00 0.50 0.00 0.00 46.19 43.81 3dsn s LEU 42 CO 0.44 -1.95 1.66 0.58 -1.32 0.00 0.00 176.35 175.76 3dsn h VAL 43 N 6.34 1.26 -1.61 1.68 2.07 -0.66 -3.34 116.25 121.99 3dsn h VAL 43 Ca -0.20 -1.06 0.24 0.00 0.82 0.00 0.00 66.70 66.49 3dsn h VAL 43 Cb 1.07 0.76 -0.17 0.00 -1.52 0.00 0.00 31.29 31.43 3dsn h VAL 43 CO 1.28 0.39 0.76 -0.83 0.02 0.00 0.00 177.57 179.19 3dsn s GLY 44 N -3.48 -0.33 -0.17 2.17 0.00 -1.19 -1.17 107.32 103.15 3dsn s GLY 44 Ca -0.12 1.34 -0.02 0.00 0.00 0.00 0.00 44.72 45.92 3dsn s GLY 44 CO 0.84 0.43 -0.09 -1.59 0.00 0.00 0.00 173.10 172.69 3dsn s THR 45 N -2.54 3.24 -0.14 0.90 2.01 -0.24 -0.99 115.64 117.88 3dsn s THR 45 Ca 0.10 -0.57 -0.06 0.00 0.31 0.00 0.00 61.69 61.47 3dsn s THR 45 Cb -0.00 -2.42 -0.04 0.00 0.01 0.00 0.00 72.50 70.05 3dsn s THR 45 CO -0.05 0.48 0.07 -0.76 -0.69 0.00 0.00 174.62 173.68 3dsn s LEU 46 N 0.85 3.95 -0.26 4.42 1.43 0.20 -0.76 118.68 128.52 3dsn s LEU 46 Ca -0.03 0.22 0.02 0.00 -1.03 0.00 0.00 54.13 53.32 3dsn s LEU 46 Cb -0.15 -1.97 0.06 0.00 0.03 0.00 0.00 46.19 44.17 3dsn s LEU 46 CO 0.01 0.30 -0.08 -0.89 0.23 0.00 0.00 176.35 175.92 3dsn s THR 47 N -0.38 1.92 -0.13 5.49 2.01 0.30 0.09 115.64 124.93 3dsn s THR 47 Ca 0.10 -1.52 -0.22 0.00 0.31 0.00 0.00 61.69 60.35 3dsn s THR 47 Cb -0.12 -2.11 -0.03 0.00 0.01 0.00 0.00 72.50 70.25 3dsn s THR 47 CO 0.02 -0.10 0.67 -0.22 -0.69 0.00 0.00 174.62 174.29 3dsn s LEU 48 N 1.21 4.23 0.00 4.42 2.96 -0.37 -0.55 118.68 130.57 3dsn s LEU 48 Ca -0.06 1.02 0.06 0.00 -0.22 0.00 0.00 54.13 54.93 3dsn s LEU 48 Cb -0.19 -3.00 -0.02 0.00 0.50 0.00 0.00 46.19 43.48 3dsn s LEU 48 CO -0.06 -0.20 0.22 0.61 -1.32 0.00 0.00 176.35 175.60 3dsn n GLY 49 N 3.42 3.08 1.66 7.98 0.00 -0.43 -0.71 105.19 120.19 3dsn n GLY 49 Ca -0.01 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.06 3dsn n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dsn n GLY 50 N -0.61 2.86 3.74 -0.02 0.00 -1.19 -0.60 105.19 109.37 3dsn n GLY 50 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 3dsn n GLY 50 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3dsn s TYR 51 N -1.82 2.25 0.27 1.61 -0.85 -0.89 -4.31 117.35 113.62 3dsn s TYR 51 Ca 0.00 1.62 -0.29 0.00 -0.52 0.00 0.00 57.07 57.88 3dsn s TYR 51 Cb 0.00 -3.22 -0.09 0.00 0.38 0.00 0.00 41.96 39.02 3dsn s TYR 51 CO 0.00 -2.17 1.06 0.21 -1.52 0.00 0.00 175.55 173.12 3dsn s LYS 52 N -4.49 4.68 0.15 -3.49 2.20 -1.26 -4.72 119.74 112.81 3dsn s LYS 52 Ca 0.66 1.72 -0.33 0.00 -0.36 0.00 0.00 55.97 57.66 3dsn s LYS 52 Cb -0.21 -3.19 -0.13 0.00 -1.51 0.00 0.00 37.83 32.79 3dsn s LYS 52 CO 0.51 0.28 1.67 2.41 -0.36 0.00 0.00 175.35 179.87 3dsn n THR 53 N 1.22 0.10 0.00 3.43 -1.04 -1.26 -1.64 114.28 115.09 3dsn n THR 53 Ca -0.01 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 61.98 3dsn n THR 53 Cb 0.45 -1.75 0.00 0.00 -1.82 0.00 0.00 70.33 67.21 3dsn n THR 53 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3dsn n GLY 54 N 3.74 1.88 3.55 3.41 0.00 -1.26 -5.09 105.19 111.41 3dsn n GLY 54 Ca 0.17 0.00 -0.51 0.00 0.00 0.00 0.00 46.02 45.68 3dsn n GLY 54 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3dsn n THR 55 N -0.29 0.74 -4.06 2.61 -1.04 -0.65 -4.80 114.28 106.79 3dsn n THR 55 Ca 0.00 -0.19 -0.23 0.00 -2.04 0.00 0.00 64.05 61.60 3dsn n THR 55 Cb 0.00 -0.60 -0.06 0.00 -1.82 0.00 0.00 70.33 67.85 3dsn n THR 55 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3dsn s THR 56 N -0.16 3.31 0.27 12.58 -4.23 -1.26 -0.76 115.64 125.39 3dsn s THR 56 Ca 0.77 -1.62 0.01 0.00 -1.18 0.00 0.00 61.69 59.66 3dsn s THR 56 Cb -0.95 -3.04 0.06 0.00 1.34 0.00 0.00 72.50 69.91 3dsn s THR 56 CO 0.53 -0.22 1.71 0.77 -0.54 0.00 0.00 174.62 176.86 3dsn h SER 57 N 1.52 0.56 0.60 3.99 4.64 -1.16 -2.91 113.55 120.80 3dsn h SER 57 Ca -0.44 -0.19 0.00 0.00 -0.47 0.00 0.00 61.79 60.69 3dsn h SER 57 Cb 1.25 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3dsn h SER 57 CO 0.62 0.79 0.00 0.35 -0.87 0.00 0.00 176.83 177.71 3dsn n THR 58 N -4.13 0.59 1.31 2.95 -2.24 -1.26 -2.84 114.28 108.66 3dsn n THR 58 Ca -0.00 0.15 0.13 0.00 -2.27 0.00 0.00 64.05 62.06 3dsn n THR 58 Cb 0.40 -0.81 0.38 0.00 -2.10 0.00 0.00 70.33 68.21 3dsn n THR 58 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3dsn n SER 59 N -1.45 1.55 -4.53 3.42 3.41 -1.10 -4.78 113.62 110.14 3dsn n SER 59 Ca 0.06 -1.35 -0.35 0.00 -0.26 0.00 0.00 58.87 56.97 3dsn n SER 59 Cb 0.21 0.09 -0.11 0.00 -0.26 0.00 0.00 64.21 64.13 3dsn n SER 59 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3dsn s VAL 60 N -2.21 4.39 -0.15 -3.33 1.01 -1.13 -0.37 120.40 118.61 3dsn s VAL 60 Ca 0.31 -0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.10 3dsn s VAL 60 Cb 0.20 -2.99 0.05 0.00 0.00 0.00 0.00 36.38 33.64 3dsn s VAL 60 CO 0.41 0.43 0.02 0.21 0.00 0.00 0.00 175.10 176.17 3dsn s ASN 61 N 0.81 2.49 -0.30 3.32 2.47 0.10 -1.14 114.94 122.69 3dsn s ASN 61 Ca 0.02 -0.58 -0.19 0.00 0.42 0.00 0.00 52.86 52.53 3dsn s ASN 61 Cb -0.14 -0.58 -0.01 0.00 -1.45 0.00 0.00 41.25 39.07 3dsn s ASN 61 CO 0.02 -0.26 0.56 -0.36 -3.72 0.00 0.00 177.10 173.34 3dsn s PHE 62 N 1.87 3.22 0.14 0.43 0.40 -0.59 -0.76 117.98 122.70 3dsn s PHE 62 Ca 0.01 0.50 0.10 0.00 -0.60 0.00 0.00 56.93 56.95 3dsn s PHE 62 Cb -0.15 -2.89 -0.04 0.00 0.51 0.00 0.00 43.02 40.45 3dsn s PHE 62 CO -0.07 -0.43 -0.24 0.95 0.70 0.00 0.00 175.22 176.13 3dsn s THR 63 N 2.46 2.13 0.28 0.64 -4.23 0.30 0.28 115.64 117.49 3dsn s THR 63 Ca 0.22 -1.81 0.01 0.00 -1.18 0.00 0.00 61.69 58.93 3dsn s THR 63 Cb -0.15 -1.93 -0.03 0.00 1.34 0.00 0.00 72.50 71.73 3dsn s THR 63 CO 0.11 -0.04 0.28 1.51 -0.54 0.00 0.00 174.62 175.95 3dsn s ASP 64 N -2.25 0.83 0.22 3.99 1.47 -1.26 -0.94 116.67 118.72 3dsn s ASP 64 Ca 0.14 -1.50 -0.06 0.00 1.18 0.00 0.00 52.55 52.31 3dsn s ASP 64 Cb -0.09 0.52 0.19 0.00 -0.34 0.00 0.00 42.92 43.20 3dsn s ASP 64 CO 0.07 -1.04 1.74 0.00 0.68 0.00 0.00 175.17 176.62 3dsn h ALA 65 N 2.31 1.00 -0.66 2.11 0.00 -1.96 -2.60 119.26 119.47 3dsn h ALA 65 Ca -0.30 -0.25 0.08 0.00 0.00 0.00 0.00 54.91 54.45 3dsn h ALA 65 Cb 1.24 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.71 3dsn h ALA 65 CO 0.43 0.64 0.32 0.00 0.00 0.00 0.00 179.25 180.64 3dsn h ALA 66 N 1.15 0.88 -0.36 0.00 0.00 -1.96 -3.46 119.26 115.51 3dsn h ALA 66 Ca 0.20 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 3dsn h ALA 66 Cb 0.38 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3dsn h ALA 66 CO 0.01 -0.07 -0.12 0.41 0.00 0.00 0.00 179.25 179.48 3dsn n GLY 67 N -1.29 0.76 3.62 0.00 0.00 -0.98 -4.96 105.19 102.33 3dsn n GLY 67 Ca 0.09 -0.76 -0.43 0.00 0.00 0.00 0.00 46.02 44.92 3dsn n GLY 67 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dsn s ASP 68 N -2.91 6.41 0.18 1.61 2.15 -1.26 -4.92 116.67 117.93 3dsn s ASP 68 Ca 0.00 1.25 -0.33 0.00 0.43 0.00 0.00 52.55 53.90 3dsn s ASP 68 Cb 0.00 -2.54 -0.14 0.00 -0.30 0.00 0.00 42.92 39.95 3dsn s ASP 68 CO 0.00 -1.29 1.53 -2.65 -0.17 0.00 0.00 175.17 172.59 3dsn n PRO 69 N 7.73 2.10 -0.10 4.34 -0.02 -1.26 -1.75 135.00 146.04 3dsn n PRO 69 Ca 0.17 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.41 3dsn n PRO 69 Cb 0.46 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.45 3dsn n PRO 69 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3dsn n MET 70 N 3.08 0.00 -4.33 -0.52 2.81 0.60 -4.99 117.12 113.77 3dsn n MET 70 Ca 0.16 0.00 -0.18 0.00 -1.81 0.00 0.00 57.70 55.87 3dsn n MET 70 Cb 0.29 -1.25 -0.15 0.00 -0.71 0.00 0.00 33.22 31.41 3dsn n MET 70 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 3dsn s TYR 71 N -2.86 0.74 -0.13 2.03 1.51 -0.71 -4.59 117.35 113.33 3dsn s TYR 71 Ca 0.00 -0.14 -0.15 0.00 -1.01 0.00 0.00 57.07 55.77 3dsn s TYR 71 Cb 0.00 -0.48 -0.05 0.00 -0.11 0.00 0.00 41.96 41.32 3dsn s TYR 71 CO 0.00 -0.02 0.35 -0.51 -1.11 0.00 0.00 175.55 174.26 3dsn s LEU 72 N -0.17 4.28 -0.24 -1.29 1.43 -0.62 -4.26 118.68 117.81 3dsn s LEU 72 Ca 0.03 0.62 -0.07 0.00 -1.03 0.00 0.00 54.13 53.68 3dsn s LEU 72 Cb -0.03 -2.47 -0.03 0.00 0.03 0.00 0.00 46.19 43.69 3dsn s LEU 72 CO -0.00 0.10 0.07 -0.89 0.23 0.00 0.00 176.35 175.85 3dsn s THR 73 N 0.33 4.36 -0.11 5.49 2.01 -1.26 -0.86 115.64 125.61 3dsn s THR 73 Ca 0.19 -0.16 -0.09 0.00 0.31 0.00 0.00 61.69 61.95 3dsn s THR 73 Cb -0.14 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 3dsn s THR 73 CO 0.06 0.36 0.19 -0.36 -0.69 0.00 0.00 174.62 174.18 3dsn s PHE 74 N 1.40 3.61 -0.01 4.92 0.40 -0.16 -4.57 117.98 123.56 3dsn s PHE 74 Ca 0.05 0.60 0.04 0.00 -0.60 0.00 0.00 56.93 57.02 3dsn s PHE 74 Cb -0.15 -2.03 -0.01 0.00 0.51 0.00 0.00 43.02 41.35 3dsn s PHE 74 CO 0.03 0.68 -0.12 0.99 0.70 0.00 0.00 175.22 177.50 3dsn s THR 75 N -0.90 0.97 0.49 0.64 2.01 -0.54 -1.50 115.64 116.82 3dsn s THR 75 Ca 0.16 -0.51 -0.21 0.00 0.31 0.00 0.00 61.69 61.43 3dsn s THR 75 Cb -0.13 -0.81 -0.07 0.00 0.01 0.00 0.00 72.50 71.50 3dsn s THR 75 CO 0.05 0.28 1.14 -0.94 -0.69 0.00 0.00 174.62 174.46 3dsn s SER 76 N -0.22 6.00 -0.16 3.53 1.04 -0.38 -0.68 113.70 122.85 3dsn s SER 76 Ca 0.03 2.23 0.08 0.00 0.48 0.00 0.00 55.95 58.77 3dsn s SER 76 Cb -0.05 -2.59 0.49 0.00 0.10 0.00 0.00 66.02 63.96 3dsn s SER 76 CO -0.00 -1.03 1.29 0.00 0.98 0.00 0.00 173.24 174.47 3dsn n GLN 77 N -0.84 3.20 0.00 4.02 6.02 -0.71 -4.32 117.38 124.76 3dsn n GLN 77 Ca 0.09 -1.89 0.12 0.00 -0.01 0.00 0.00 57.00 55.31 3dsn n GLN 77 Cb 0.49 -1.94 0.22 0.00 1.02 0.00 0.00 30.24 30.04 3dsn n GLN 77 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 3dsn n ASP 78 N 0.29 1.19 0.00 1.08 5.68 -1.26 -4.95 116.55 118.57 3dsn n ASP 78 Ca 0.19 -0.95 0.00 0.00 -0.50 0.00 0.00 54.79 53.52 3dsn n ASP 78 Cb 0.86 0.31 0.00 0.00 -1.14 0.00 0.00 41.12 41.15 3dsn n ASP 78 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dsn n GLY 79 N 1.40 1.38 0.75 6.12 0.00 -1.26 -4.90 105.19 108.68 3dsn n GLY 79 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 3dsn n GLY 79 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dsn n ASN 80 N 0.00 2.30 -3.67 1.61 3.02 -1.26 -4.98 115.26 112.29 3dsn n ASN 80 Ca 0.00 -1.78 -0.23 0.00 -0.03 0.00 0.00 54.58 52.55 3dsn n ASN 80 Cb 0.00 -0.08 0.05 0.00 -0.61 0.00 0.00 39.78 39.15 3dsn n ASN 80 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3dsn n ASN 81 N 0.77 -3.12 -4.71 6.41 5.15 -1.26 -4.95 115.26 113.54 3dsn n ASN 81 Ca 0.17 -0.71 -0.42 0.00 -0.60 0.00 0.00 54.58 53.02 3dsn n ASN 81 Cb 0.46 -4.45 -0.03 0.00 -0.53 0.00 0.00 39.78 35.23 3dsn n ASN 81 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 3dsn s HIS 82 N -3.45 3.54 0.01 1.20 3.76 -1.26 -4.91 115.29 114.18 3dsn s HIS 82 Ca 0.25 1.48 0.03 0.00 -0.15 0.00 0.00 55.06 56.68 3dsn s HIS 82 Cb -0.12 -3.29 -0.01 0.00 1.11 0.00 0.00 32.58 30.27 3dsn s HIS 82 CO 0.78 -0.71 -0.10 -0.65 -0.85 0.00 0.00 174.74 173.20 3dsn s GLN 83 N 0.93 0.77 0.05 1.40 -0.21 -1.26 -1.24 119.66 120.09 3dsn s GLN 83 Ca 0.55 -0.51 0.02 0.00 0.02 0.00 0.00 55.36 55.44 3dsn s GLN 83 Cb -0.26 -0.72 -0.03 0.00 1.00 0.00 0.00 33.01 33.00 3dsn s GLN 83 CO 0.29 0.19 -0.07 -0.59 -2.12 0.00 0.00 175.29 172.98 3dsn s PHE 84 N -0.56 0.68 0.16 0.91 -0.12 -0.56 -4.58 117.98 113.90 3dsn s PHE 84 Ca 0.01 -0.56 0.04 0.00 -0.05 0.00 0.00 56.93 56.36 3dsn s PHE 84 Cb -0.06 -0.41 -0.04 0.00 -0.63 0.00 0.00 43.02 41.89 3dsn s PHE 84 CO 0.00 -0.10 0.22 0.95 -0.05 0.00 0.00 175.22 176.24 3dsn s THR 85 N -1.72 4.93 0.11 -4.49 -4.23 -0.25 -0.99 115.64 109.00 3dsn s THR 85 Ca -0.07 -0.87 0.01 0.00 -1.18 0.00 0.00 61.69 59.58 3dsn s THR 85 Cb -0.08 -3.53 -0.04 0.00 1.34 0.00 0.00 72.50 70.19 3dsn s THR 85 CO -0.00 -0.10 -0.04 0.42 -0.54 0.00 0.00 174.62 174.36 3dsn s THR 86 N -1.75 0.57 0.18 3.99 -4.23 -0.04 -0.51 115.64 113.86 3dsn s THR 86 Ca 0.33 -1.92 0.10 0.00 -1.18 0.00 0.00 61.69 59.02 3dsn s THR 86 Cb -0.11 -1.78 -0.04 0.00 1.34 0.00 0.00 72.50 71.91 3dsn s THR 86 CO 0.26 -0.78 -0.22 -1.59 -0.54 0.00 0.00 174.62 171.75 3dsn s LYS 87 N -3.88 1.43 -0.23 3.99 -2.85 -0.09 -1.59 119.74 116.52 3dsn s LYS 87 Ca 0.15 -1.48 -0.02 0.00 -1.00 0.00 0.00 55.97 53.61 3dsn s LYS 87 Cb 0.06 -1.67 0.01 0.00 -2.06 0.00 0.00 37.83 34.18 3dsn s LYS 87 CO -0.03 0.35 -0.06 0.08 0.10 0.00 0.00 175.35 175.79 3dsn s VAL 88 N -1.79 2.99 0.08 1.79 1.01 -1.26 -1.23 120.40 121.99 3dsn s VAL 88 Ca 0.19 -0.83 -0.01 0.00 0.00 0.00 0.00 61.98 61.33 3dsn s VAL 88 Cb -0.07 -2.44 -0.04 0.00 0.00 0.00 0.00 36.38 33.82 3dsn s VAL 88 CO 0.09 0.30 -0.01 0.27 0.00 0.00 0.00 175.10 175.75 3dsn s ILE 89 N 1.38 0.23 0.04 2.22 -4.36 -0.98 -4.21 121.20 115.52 3dsn s ILE 89 Ca 0.03 -1.85 -0.01 0.00 -0.26 0.00 0.00 60.65 58.55 3dsn s ILE 89 Cb -0.15 -1.70 0.01 0.00 1.25 0.00 0.00 42.46 41.86 3dsn s ILE 89 CO -0.05 -0.82 0.08 0.61 0.24 0.00 0.00 174.94 175.01 3dsn n GLY 90 N 0.03 2.16 3.21 6.27 0.00 -0.15 0.11 105.19 116.82 3dsn n GLY 90 Ca -0.11 -1.13 -0.27 0.00 0.00 0.00 0.00 46.02 44.51 3dsn n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dsn s LYS 91 N -2.03 1.77 0.35 1.61 -0.14 -1.26 -0.71 119.74 119.33 3dsn s LYS 91 Ca 0.02 -0.72 -0.03 0.00 -1.36 0.00 0.00 55.97 53.88 3dsn s LYS 91 Cb -0.00 -1.65 0.07 0.00 -1.68 0.00 0.00 37.83 34.57 3dsn s LYS 91 CO 0.02 0.40 0.47 -0.40 -0.76 0.00 0.00 175.35 175.08 3dsn n ASP 92 N 2.72 0.35 -0.08 2.83 5.75 -0.72 -4.92 116.55 122.48 3dsn n ASP 92 Ca -0.16 -1.36 0.01 0.00 -0.01 0.00 0.00 54.79 53.27 3dsn n ASP 92 Cb 0.53 -0.33 0.31 0.00 -1.03 0.00 0.00 41.12 40.59 3dsn n ASP 92 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 3dsn h SER 93 N -0.45 0.63 -0.82 -1.12 4.64 -1.93 -2.27 113.55 112.22 3dsn h SER 93 Ca -0.15 -0.06 -0.48 0.00 -0.47 0.00 0.00 61.79 60.63 3dsn h SER 93 Cb 0.50 -0.16 -0.25 0.00 -0.31 0.00 0.00 62.40 62.18 3dsn h SER 93 CO 0.14 0.54 0.61 -2.11 -0.87 0.00 0.00 176.83 175.14 3dsn n ARG 94 N -4.38 2.16 -2.75 4.77 1.85 -1.26 -4.93 116.66 112.13 3dsn n ARG 94 Ca 0.04 -2.56 -0.11 0.00 -1.00 0.00 0.00 57.85 54.22 3dsn n ARG 94 Cb 0.13 -2.01 -0.01 0.00 -1.05 0.00 0.00 32.46 29.53 3dsn n ARG 94 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 3dsn n ASP 95 N -0.72 -2.51 -4.87 2.89 2.03 -0.86 -4.98 116.55 107.53 3dsn n ASP 95 Ca 0.50 0.14 -0.31 0.00 0.52 0.00 0.00 54.79 55.64 3dsn n ASP 95 Cb 1.16 -2.19 -0.04 0.00 -0.72 0.00 0.00 41.12 39.32 3dsn n ASP 95 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 3dsn s PHE 96 N -2.45 3.43 0.04 -0.67 2.99 -1.26 -4.82 117.98 115.24 3dsn s PHE 96 Ca 0.12 1.04 -0.30 0.00 0.00 0.00 0.00 56.93 57.78 3dsn s PHE 96 Cb -0.06 -2.41 -0.07 0.00 0.00 0.00 0.00 43.02 40.48 3dsn s PHE 96 CO 0.14 0.04 1.45 -0.51 -0.00 0.00 0.00 175.22 176.34 3dsn s ASP 97 N -2.76 6.80 0.28 1.36 1.01 -1.26 -1.75 116.67 120.35 3dsn s ASP 97 Ca 0.51 2.23 0.04 0.00 0.71 0.00 0.00 52.55 56.04 3dsn s ASP 97 Cb -0.10 -2.57 -0.06 0.00 1.01 0.00 0.00 42.92 41.20 3dsn s ASP 97 CO 0.25 -0.74 0.03 0.27 0.21 0.00 0.00 175.17 175.19 3dsn s ILE 98 N 2.16 1.16 -0.04 0.77 -5.25 0.12 -3.92 121.20 116.19 3dsn s ILE 98 Ca 0.66 -2.03 -0.18 0.00 -0.99 0.00 0.00 60.65 58.11 3dsn s ILE 98 Cb -0.34 -2.60 0.03 0.00 2.95 0.00 0.00 42.46 42.51 3dsn s ILE 98 CO 0.28 -0.14 0.40 -0.94 -1.79 0.00 0.00 174.94 172.75 3dsn s SER 99 N -3.41 -0.31 0.94 4.36 1.04 -1.12 -0.98 113.70 114.22 3dsn s SER 99 Ca 0.33 0.31 -0.14 0.00 0.48 0.00 0.00 55.95 56.93 3dsn s SER 99 Cb 0.07 0.43 0.16 0.00 0.10 0.00 0.00 66.02 66.78 3dsn s SER 99 CO 0.13 -0.44 1.18 -2.16 0.98 0.00 0.00 173.24 172.93 3dsn s PRO 100 N -1.09 0.86 0.42 4.02 0.04 -1.26 -4.70 135.00 133.28 3dsn s PRO 100 Ca -0.11 0.06 -0.25 0.00 0.04 0.00 0.00 61.00 60.73 3dsn s PRO 100 Cb -0.04 -1.83 -0.08 0.00 0.04 0.00 0.00 34.50 32.59 3dsn s PRO 100 CO 0.05 -2.34 1.28 0.15 0.04 0.00 0.00 177.00 176.17 3dsn s LYS 101 N -5.48 3.87 -0.11 4.56 1.02 -0.29 -4.46 119.74 118.85 3dsn s LYS 101 Ca 0.67 2.09 -0.01 0.00 0.02 0.00 0.00 55.97 58.74 3dsn s LYS 101 Cb -0.11 -2.66 0.03 0.00 -0.52 0.00 0.00 37.83 34.57 3dsn s LYS 101 CO 0.53 -0.55 -0.04 0.08 -0.92 0.00 0.00 175.35 174.45 3dsn s VAL 102 N -1.31 0.78 -1.71 3.17 1.01 -0.15 -1.54 120.40 120.64 3dsn s VAL 102 Ca 0.59 -0.19 -0.16 0.00 0.00 0.00 0.00 61.98 62.22 3dsn s VAL 102 Cb -0.36 -0.89 0.15 0.00 0.00 0.00 0.00 36.38 35.28 3dsn s VAL 102 CO 0.46 0.28 0.61 0.59 0.00 0.00 0.00 175.10 177.04 3dsn n ASN 103 N 5.01 -2.07 0.00 3.32 3.02 0.14 -0.29 115.26 124.40 3dsn n ASN 103 Ca -0.10 -1.11 0.00 0.00 -0.03 0.00 0.00 54.58 53.34 3dsn n ASN 103 Cb 0.50 -2.32 0.00 0.00 -0.61 0.00 0.00 39.78 37.35 3dsn n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dsn n GLY 104 N -1.49 0.70 2.90 7.41 0.00 -1.26 -4.46 105.19 108.98 3dsn n GLY 104 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3dsn n GLY 104 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dsn s GLU 105 N -0.66 0.09 0.07 1.61 0.41 -1.04 -5.00 118.70 114.18 3dsn s GLU 105 Ca 0.00 -0.11 -0.30 0.00 -0.41 0.00 0.00 54.97 54.15 3dsn s GLU 105 Cb 0.00 -0.03 -0.05 0.00 -1.78 0.00 0.00 34.13 32.27 3dsn s GLU 105 CO 0.00 0.01 1.04 -0.80 -0.49 0.00 0.00 175.26 175.02 3dsn s ASN 106 N -0.23 7.32 -0.01 -0.19 0.01 -1.26 -0.98 114.94 119.59 3dsn s ASN 106 Ca -0.02 1.83 -0.20 0.00 -0.71 0.00 0.00 52.86 53.77 3dsn s ASN 106 Cb -0.02 -2.58 -0.31 0.00 0.41 0.00 0.00 41.25 38.75 3dsn s ASN 106 CO -0.00 -0.25 0.97 0.25 -1.51 0.00 0.00 177.10 176.55 3dsn h LEU 107 N 6.25 0.60 -7.51 0.60 5.85 -1.87 -3.48 115.31 115.74 3dsn h LEU 107 Ca -0.42 -0.91 -0.13 0.00 0.84 0.00 0.00 57.88 57.26 3dsn h LEU 107 Cb 1.22 -0.19 -0.22 0.00 0.37 0.00 0.00 40.66 41.83 3dsn h LEU 107 CO 0.75 1.45 -0.33 0.54 -0.34 0.00 0.00 178.44 180.51 3dsn s VAL 108 N -2.64 0.04 0.00 1.05 0.11 -1.26 -5.10 120.40 112.60 3dsn s VAL 108 Ca -0.12 -0.33 0.00 0.00 -2.93 0.00 0.00 61.98 58.59 3dsn s VAL 108 Cb 0.02 -0.53 0.00 0.00 -1.53 0.00 0.00 36.38 34.34 3dsn s VAL 108 CO 0.86 -0.18 0.00 0.61 -3.33 0.00 0.00 175.10 173.06 3dsn n GLY 109 N 1.88 -1.54 3.91 6.54 0.00 -1.25 -2.80 105.19 111.92 3dsn n GLY 109 Ca -0.19 -1.56 -0.27 0.00 0.00 0.00 0.00 46.02 44.00 3dsn n GLY 109 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dsn s ASP 110 N -4.00 5.71 0.11 1.61 1.01 -1.26 -4.88 116.67 114.97 3dsn s ASP 110 Ca 0.00 0.84 -0.35 0.00 0.71 0.00 0.00 52.55 53.76 3dsn s ASP 110 Cb 0.00 -1.86 -0.14 0.00 1.01 0.00 0.00 42.92 41.93 3dsn s ASP 110 CO 0.00 -1.02 1.57 -0.67 0.21 0.00 0.00 175.17 175.26 3dsn n ASP 111 N -2.61 2.85 -4.16 0.27 2.03 -1.26 -4.82 116.55 108.85 3dsn n ASP 111 Ca 0.04 1.08 -0.13 0.00 0.52 0.00 0.00 54.79 56.30 3dsn n ASP 111 Cb 0.57 -1.37 -0.11 0.00 -0.72 0.00 0.00 41.12 39.49 3dsn n ASP 111 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3dsn s VAL 112 N 1.22 0.83 0.11 5.18 -7.23 -1.26 -4.99 120.40 114.26 3dsn s VAL 112 Ca 0.82 -1.66 -0.30 0.00 -1.81 0.00 0.00 61.98 59.02 3dsn s VAL 112 Cb -0.74 -1.37 -0.07 0.00 0.56 0.00 0.00 36.38 34.77 3dsn s VAL 112 CO 0.42 -0.63 1.20 -0.69 -0.31 0.00 0.00 175.10 175.08 3dsn s VAL 113 N -2.66 3.87 0.81 1.32 1.01 -1.26 -0.54 120.40 122.96 3dsn s VAL 113 Ca 0.06 1.42 -0.12 0.00 0.00 0.00 0.00 61.98 63.34 3dsn s VAL 113 Cb -0.01 -3.91 0.09 0.00 0.00 0.00 0.00 36.38 32.54 3dsn s VAL 113 CO -0.01 0.15 1.15 -0.76 0.00 0.00 0.00 175.10 175.63 3dsn s LEU 114 N 0.60 3.05 0.54 3.92 1.43 0.06 -4.87 118.68 123.42 3dsn s LEU 114 Ca 0.57 2.13 -0.21 0.00 -1.03 0.00 0.00 54.13 55.59 3dsn s LEU 114 Cb -0.31 -4.56 -0.06 0.00 0.03 0.00 0.00 46.19 41.30 3dsn s LEU 114 CO 0.32 -2.53 1.22 0.00 0.23 0.00 0.00 176.35 175.59 3dsn n ALA 115 N -3.54 1.06 -1.83 4.21 0.00 -1.26 -4.72 120.51 114.44 3dsn n ALA 115 Ca 0.11 0.11 -0.42 0.00 0.00 0.00 0.00 53.44 53.25 3dsn n ALA 115 Cb 0.52 -2.26 -0.02 0.00 0.00 0.00 0.00 19.45 17.68 3dsn n ALA 115 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3dsn s THR 116 N -1.34 2.35 0.00 0.00 2.01 -1.26 -4.06 115.64 113.35 3dsn s THR 116 Ca 0.71 0.28 0.00 0.00 0.31 0.00 0.00 61.69 63.00 3dsn s THR 116 Cb -0.44 -3.18 0.00 0.00 0.01 0.00 0.00 72.50 68.89 3dsn s THR 116 CO 0.50 0.04 0.00 0.61 -0.69 0.00 0.00 174.62 175.08 3dsn n GLY 117 N 2.63 2.17 3.15 4.40 0.00 -1.26 -4.84 105.19 111.44 3dsn n GLY 117 Ca 0.09 -0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.85 3dsn n GLY 117 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3dsn s SER 118 N -1.17 0.34 -0.05 1.61 1.04 -1.26 -3.19 113.70 111.02 3dsn s SER 118 Ca 0.00 -1.03 0.00 0.00 0.48 0.00 0.00 55.95 55.40 3dsn s SER 118 Cb 0.00 0.27 0.02 0.00 0.10 0.00 0.00 66.02 66.42 3dsn s SER 118 CO 0.00 -0.69 -0.02 -1.58 0.98 0.00 0.00 173.24 171.93 3dsn s GLN 119 N -3.97 0.71 0.04 4.02 2.00 0.11 -4.50 119.66 118.08 3dsn s GLN 119 Ca 0.14 -0.01 -0.24 0.00 -2.00 0.00 0.00 55.36 53.25 3dsn s GLN 119 Cb 0.07 -0.87 -0.06 0.00 0.80 0.00 0.00 33.01 32.95 3dsn s GLN 119 CO -0.05 -0.17 0.73 -0.51 -0.50 0.00 0.00 175.29 174.79 3dsn s ASP 120 N 1.34 7.18 0.02 6.67 1.01 -1.26 -1.24 116.67 130.39 3dsn s ASP 120 Ca -0.05 1.40 0.08 0.00 0.71 0.00 0.00 52.55 54.70 3dsn s ASP 120 Cb -0.13 -2.45 -0.03 0.00 1.01 0.00 0.00 42.92 41.32 3dsn s ASP 120 CO -0.02 0.05 -0.25 -0.36 0.21 0.00 0.00 175.17 174.79 3dsn s PHE 121 N -0.16 2.21 -0.20 4.23 0.40 0.11 -4.53 117.98 120.05 3dsn s PHE 121 Ca 0.37 -0.41 -0.04 0.00 -0.60 0.00 0.00 56.93 56.25 3dsn s PHE 121 Cb -0.20 -1.36 -0.02 0.00 0.51 0.00 0.00 43.02 41.95 3dsn s PHE 121 CO 0.22 0.07 -0.03 -0.06 0.70 0.00 0.00 175.22 176.12 3dsn s PHE 122 N -0.73 2.99 -0.35 0.36 0.40 0.12 0.58 117.98 121.34 3dsn s PHE 122 Ca 0.10 -0.63 -0.28 0.00 -0.60 0.00 0.00 56.93 55.53 3dsn s PHE 122 Cb -0.10 -2.06 0.02 0.00 0.51 0.00 0.00 43.02 41.39 3dsn s PHE 122 CO 0.01 -0.33 1.05 0.08 0.70 0.00 0.00 175.22 176.73 3dsn s VAL 123 N 1.06 4.49 -0.10 -0.44 1.01 -0.17 -2.31 120.40 123.94 3dsn s VAL 123 Ca 0.01 1.54 0.03 0.00 0.00 0.00 0.00 61.98 63.57 3dsn s VAL 123 Cb -0.15 -4.42 -0.01 0.00 0.00 0.00 0.00 36.38 31.81 3dsn s VAL 123 CO 0.01 -0.56 -0.21 -0.13 0.00 0.00 0.00 175.10 174.21 3dsn s ARG 124 N 3.71 3.02 0.37 2.72 1.81 -0.37 0.12 118.95 130.33 3dsn s ARG 124 Ca 0.44 -0.83 -0.28 0.00 -1.72 0.00 0.00 55.73 53.34 3dsn s ARG 124 Cb -0.11 -2.36 -0.11 0.00 -0.45 0.00 0.00 34.95 31.91 3dsn s ARG 124 CO 0.18 0.25 1.50 -1.54 -0.68 0.00 0.00 175.30 175.01 3dsn s SER 125 N 0.20 6.35 0.00 0.23 1.04 -0.63 -0.91 113.70 119.98 3dsn s SER 125 Ca -0.13 3.04 0.00 0.00 0.48 0.00 0.00 55.95 59.34 3dsn s SER 125 Cb -0.16 -2.66 0.00 0.00 0.10 0.00 0.00 66.02 63.29 3dsn s SER 125 CO 0.07 -0.88 0.00 -0.38 0.98 0.00 0.00 173.24 173.03 3dsn n ILE 126 N 0.67 0.00 -1.40 -1.02 2.08 0.33 -1.31 119.36 118.71 3dsn n ILE 126 Ca 0.02 0.44 0.00 0.00 0.56 0.00 0.00 62.75 63.77 3dsn n ILE 126 Cb 0.39 -1.43 0.00 0.00 -0.75 0.00 0.00 39.64 37.85 3dsn n ILE 126 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3dsn n GLY 127 N 1.67 -0.63 3.00 7.39 0.00 -1.21 -4.46 105.19 110.96 3dsn n GLY 127 Ca 0.00 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 45.15 3dsn n GLY 127 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dsn s SER 128 N -4.00 2.30 0.37 1.61 0.15 -1.26 -1.09 113.70 111.78 3dsn s SER 128 Ca 0.00 -0.38 0.28 0.00 0.70 0.00 0.00 55.95 56.55 3dsn s SER 128 Cb 0.00 -0.99 1.16 0.00 -1.71 0.00 0.00 66.02 64.48 3dsn s SER 128 CO 0.00 -0.04 1.82 0.11 1.20 0.00 0.00 173.24 176.34 3dsn h LYS 129 N 7.70 0.00 0.00 5.44 1.79 -2.00 -3.11 116.57 126.39 3dsn h LYS 129 Ca -0.32 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 57.78 3dsn h LYS 129 Cb 1.16 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 31.74 3dsn h LYS 129 CO 0.47 0.00 -2.35 0.41 -1.08 0.00 0.00 179.45 176.90 3dsn n GLY 130 N -0.04 -0.81 7.00 3.86 0.00 -1.26 -5.11 105.19 108.82 3dsn n GLY 130 Ca 0.01 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3dsn n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dsn n GLY 131 N 1.88 -0.53 2.53 -0.02 0.00 -1.18 -4.95 105.19 102.92 3dsn n GLY 131 Ca -0.35 -1.00 -0.15 0.00 0.00 0.00 0.00 46.02 44.52 3dsn n GLY 131 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dsn n LYS 132 N -1.15 -2.82 -1.76 1.61 4.01 -1.21 -4.88 118.16 111.96 3dsn n LYS 132 Ca 0.00 0.64 -0.41 0.00 -0.51 0.00 0.00 58.31 58.02 3dsn n LYS 132 Cb 0.00 -4.90 -0.01 0.00 -0.51 0.00 0.00 35.03 29.61 3dsn n LYS 132 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 3dsn n LEU 133 N -2.64 4.54 -4.91 -0.35 4.77 -0.36 -4.99 117.00 113.05 3dsn n LEU 133 Ca -0.10 1.17 -0.27 0.00 -0.03 0.00 0.00 56.01 56.78 3dsn n LEU 133 Cb 0.59 -1.61 -0.04 0.00 -2.33 0.00 0.00 43.42 40.04 3dsn n LEU 133 CO 0.29 0.19 -0.13 0.00 -1.33 0.00 0.00 177.39 176.41 3dsn s ALA 134 N -0.27 3.90 0.63 -1.18 0.00 -1.26 -4.77 121.76 118.82 3dsn s ALA 134 Ca 0.61 -1.02 -0.18 0.00 0.00 0.00 0.00 51.96 51.37 3dsn s ALA 134 Cb -0.48 -1.72 -0.01 0.00 0.00 0.00 0.00 23.12 20.91 3dsn s ALA 134 CO 0.52 0.60 1.24 0.00 0.00 0.00 0.00 175.76 178.12 3dsn s ALA 135 N -1.69 2.42 0.00 0.00 0.00 -1.26 -4.89 121.76 116.34 3dsn s ALA 135 Ca 0.34 1.06 0.00 0.00 0.00 0.00 0.00 51.96 53.36 3dsn s ALA 135 Cb -0.11 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.52 3dsn s ALA 135 CO 0.27 -1.43 0.00 0.41 0.00 0.00 0.00 175.76 175.01 3dsn n GLY 136 N 0.62 0.64 3.67 0.00 0.00 -1.26 -5.06 105.19 103.80 3dsn n GLY 136 Ca 0.14 -2.10 -0.38 0.00 0.00 0.00 0.00 46.02 43.68 3dsn n GLY 136 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dsn s LYS 137 N -1.00 4.16 -0.13 1.61 -0.14 -1.26 -5.02 119.74 117.96 3dsn s LYS 137 Ca 0.00 0.11 -0.02 0.00 -1.36 0.00 0.00 55.97 54.69 3dsn s LYS 137 Cb 0.00 -3.53 -0.03 0.00 -1.68 0.00 0.00 37.83 32.59 3dsn s LYS 137 CO 0.00 0.00 -0.04 0.71 -0.76 0.00 0.00 175.35 175.26 3dsn s TYR 138 N 1.19 3.02 0.09 3.18 1.51 -1.26 -1.73 117.35 123.35 3dsn s TYR 138 Ca 0.17 -0.17 0.04 0.00 -1.01 0.00 0.00 57.07 56.10 3dsn s TYR 138 Cb -0.14 -1.88 -0.03 0.00 -0.11 0.00 0.00 41.96 39.79 3dsn s TYR 138 CO 0.07 0.11 -0.11 0.95 -1.11 0.00 0.00 175.55 175.46 3dsn s THR 139 N -0.06 0.95 -0.01 -0.71 -4.23 0.15 -4.82 115.64 106.91 3dsn s THR 139 Ca 0.01 -1.57 -0.09 0.00 -1.18 0.00 0.00 61.69 58.86 3dsn s THR 139 Cb -0.13 -1.29 0.01 0.00 1.34 0.00 0.00 72.50 72.42 3dsn s THR 139 CO 0.03 -0.51 0.18 -0.62 -0.54 0.00 0.00 174.62 173.15 3dsn s ASP 140 N -2.32 -0.03 -0.32 3.99 2.15 -1.26 -1.46 116.67 117.41 3dsn s ASP 140 Ca 0.04 -0.10 -0.03 0.00 0.43 0.00 0.00 52.55 52.88 3dsn s ASP 140 Cb -0.04 0.24 0.05 0.00 -0.30 0.00 0.00 42.92 42.87 3dsn s ASP 140 CO 0.00 -0.36 0.04 0.00 -0.17 0.00 0.00 175.17 174.69 3dsn s ALA 141 N -1.25 2.91 -0.15 3.66 0.00 -1.26 -5.10 121.76 120.56 3dsn s ALA 141 Ca -0.13 -1.78 -0.02 0.00 0.00 0.00 0.00 51.96 50.02 3dsn s ALA 141 Cb -0.07 -2.07 -0.02 0.00 0.00 0.00 0.00 23.12 20.96 3dsn s ALA 141 CO 0.02 -1.31 -0.07 0.08 0.00 0.00 0.00 175.76 174.47 3dsn s VAL 142 N 1.30 3.52 -0.19 0.00 1.01 -1.26 -4.39 120.40 120.39 3dsn s VAL 142 Ca -0.04 -0.49 -0.12 0.00 0.00 0.00 0.00 61.98 61.33 3dsn s VAL 142 Cb -0.20 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.61 3dsn s VAL 142 CO 0.00 0.50 0.23 -0.89 0.00 0.00 0.00 175.10 174.94 3dsn s THR 143 N 0.45 5.34 -0.40 3.92 2.01 -0.11 -4.93 115.64 121.92 3dsn s THR 143 Ca -0.06 0.39 -0.11 0.00 0.31 0.00 0.00 61.69 62.22 3dsn s THR 143 Cb -0.15 -3.57 0.05 0.00 0.01 0.00 0.00 72.50 68.84 3dsn s THR 143 CO 0.04 0.39 0.24 -0.69 -0.69 0.00 0.00 174.62 173.91 3dsn s VAL 144 N 0.57 4.51 -0.28 3.82 1.01 -1.26 -0.54 120.40 128.23 3dsn s VAL 144 Ca 0.12 -1.06 -0.13 0.00 0.00 0.00 0.00 61.98 60.91 3dsn s VAL 144 Cb -0.12 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 3dsn s VAL 144 CO 0.02 -0.36 0.28 -0.89 0.00 0.00 0.00 175.10 174.16 3dsn s THR 145 N 1.52 5.24 -0.28 3.92 2.01 0.06 -4.95 115.64 123.15 3dsn s THR 145 Ca 0.02 0.36 -0.06 0.00 0.31 0.00 0.00 61.69 62.33 3dsn s THR 145 Cb -0.21 -3.62 0.01 0.00 0.01 0.00 0.00 72.50 68.69 3dsn s THR 145 CO 0.05 0.20 0.05 -0.69 -0.69 0.00 0.00 174.62 173.54 3dsn s VAL 146 N 1.92 3.76 -0.83 3.82 1.01 -1.26 -0.72 120.40 128.10 3dsn s VAL 146 Ca 0.11 -0.73 -0.21 0.00 0.00 0.00 0.00 61.98 61.15 3dsn s VAL 146 Cb -0.16 -2.92 0.09 0.00 0.00 0.00 0.00 36.38 33.39 3dsn s VAL 146 CO 0.10 0.12 1.11 -0.44 0.00 0.00 0.00 175.10 176.00 3dsn s SER 147 N 1.47 6.41 0.31 3.32 0.01 0.51 -5.02 113.70 120.71 3dsn s SER 147 Ca 0.02 -1.48 -0.29 0.00 1.31 0.00 0.00 55.95 55.52 3dsn s SER 147 Cb -0.17 -2.44 -0.10 0.00 0.21 0.00 0.00 66.02 63.52 3dsn s SER 147 CO 0.01 -1.31 1.37 0.20 0.41 0.00 0.00 173.24 173.92 3dsn s ASN 148 N 3.84 6.69 0.00 2.44 0.01 -1.26 -4.83 114.94 121.82 3dsn s ASN 148 Ca 0.30 2.72 0.05 0.00 -0.71 0.00 0.00 52.86 55.22 3dsn s ASN 148 Cb -0.09 -2.64 0.29 0.00 0.41 0.00 0.00 41.25 39.22 3dsn s ASN 148 CO -0.01 -0.63 0.76 0.00 -1.51 0.00 0.00 177.10 175.72