#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1toq s LYS 2 N 0.00 3.87 0.58 1.61 2.20 0.53 -4.78 119.74 123.75 1toq s LYS 2 Ca 0.00 0.49 -0.20 0.00 -0.36 0.00 0.00 55.97 55.90 1toq s LYS 2 Cb 0.00 -3.77 -0.04 0.00 -1.51 0.00 0.00 37.83 32.52 1toq s LYS 2 CO 0.00 -0.78 1.26 0.00 -0.36 0.00 0.00 175.35 175.47 1toq s ALA 3 N 3.08 2.60 0.04 3.13 0.00 -1.26 -2.51 121.76 126.85 1toq s ALA 3 Ca 0.33 1.14 -0.02 0.00 0.00 0.00 0.00 51.96 53.41 1toq s ALA 3 Cb -0.13 -3.50 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 1toq s ALA 3 CO 0.15 -1.29 0.00 -0.59 0.00 0.00 0.00 175.76 174.03 1toq s PHE 4 N -1.46 0.35 -0.28 0.00 -0.12 0.12 -4.94 117.98 111.65 1toq s PHE 4 Ca 0.76 -0.74 0.00 0.00 -0.05 0.00 0.00 56.93 56.90 1toq s PHE 4 Cb -0.35 -0.26 0.15 0.00 -0.63 0.00 0.00 43.02 41.93 1toq s PHE 4 CO 0.38 -0.31 0.36 0.34 -0.05 0.00 0.00 175.22 175.95 1toq s ASP 5 N -2.21 0.73 0.30 1.98 -1.08 -1.26 -1.01 116.67 114.12 1toq s ASP 5 Ca -0.04 -0.34 0.13 0.00 -0.52 0.00 0.00 52.55 51.78 1toq s ASP 5 Cb -0.01 0.92 0.43 0.00 -1.46 0.00 0.00 42.92 42.80 1toq s ASP 5 CO -0.05 -0.35 1.63 0.44 0.52 0.00 0.00 175.17 177.36 1toq h ASP 6 N 8.20 0.00 -3.26 -0.34 3.32 -1.58 -3.49 116.42 119.27 1toq h ASP 6 Ca -0.13 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.92 1toq h ASP 6 Cb 1.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1toq h ASP 6 CO 0.29 0.55 0.00 0.61 -1.72 0.00 0.00 179.24 178.97 1toq n GLY 7 N 0.33 -1.88 3.50 2.75 0.00 -1.25 -4.94 105.19 103.69 1toq n GLY 7 Ca -0.01 -1.63 -0.33 0.00 0.00 0.00 0.00 46.02 44.06 1toq n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1toq s ALA 8 N -1.35 2.76 0.00 4.61 0.00 -1.26 -3.92 121.76 122.59 1toq s ALA 8 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.02 1toq s ALA 8 Cb 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 23.12 22.04 1toq s ALA 8 CO 0.00 0.53 0.00 1.19 0.00 0.00 0.00 175.76 177.48 1toq n PHE 9 N 2.42 0.00 0.75 0.00 3.01 -0.21 -4.99 117.46 118.44 1toq n PHE 9 Ca -0.17 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.37 1toq n PHE 9 Cb 0.52 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.96 1toq n PHE 9 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1toq n THR 10 N 0.00 0.00 -1.03 4.37 -2.24 0.14 -4.86 114.28 110.66 1toq n THR 10 Ca 0.00 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.53 1toq n THR 10 Cb 0.00 1.13 0.00 0.00 -2.10 0.00 0.00 70.33 69.36 1toq n THR 10 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1toq n GLY 11 N 1.26 -1.53 3.21 3.38 0.00 -1.18 -4.92 105.19 105.41 1toq n GLY 11 Ca 0.06 -1.05 -0.31 0.00 0.00 0.00 0.00 46.02 44.72 1toq n GLY 11 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1toq s ILE 12 N -2.31 1.91 -0.19 -0.61 1.01 -1.26 -0.69 121.20 119.07 1toq s ILE 12 Ca 0.00 -0.96 0.10 0.00 0.00 0.00 0.00 60.65 59.79 1toq s ILE 12 Cb 0.00 -1.64 -0.18 0.00 0.01 0.00 0.00 42.46 40.64 1toq s ILE 12 CO 0.00 0.53 -0.03 0.54 0.00 0.00 0.00 174.94 175.98 1toq n ARG 13 N 3.29 0.98 -3.62 2.79 1.74 -0.14 -4.77 116.66 116.94 1toq n ARG 13 Ca -0.19 0.04 -0.13 0.00 -0.77 0.00 0.00 57.85 56.81 1toq n ARG 13 Cb 0.52 -1.43 -0.07 0.00 -1.02 0.00 0.00 32.46 30.46 1toq n ARG 13 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1toq s GLU 14 N -2.42 0.76 -0.09 5.56 2.12 -0.85 -2.38 118.70 121.41 1toq s GLU 14 Ca -0.16 0.76 0.04 0.00 0.36 0.00 0.00 54.97 55.97 1toq s GLU 14 Cb 0.06 0.37 0.00 0.00 0.26 0.00 0.00 34.13 34.82 1toq s GLU 14 CO 0.62 -0.12 -0.22 0.42 -0.54 0.00 0.00 175.26 175.42 1toq s ILE 15 N 0.08 1.86 -0.27 -3.70 1.01 0.30 -0.41 121.20 120.07 1toq s ILE 15 Ca -0.00 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 59.74 1toq s ILE 15 Cb -0.04 -1.62 0.05 0.00 0.01 0.00 0.00 42.46 40.86 1toq s ILE 15 CO 0.00 0.52 -0.08 0.20 0.00 0.00 0.00 174.94 175.58 1toq s ASN 16 N 0.32 4.48 0.24 3.58 0.01 0.63 0.11 114.94 124.31 1toq s ASN 16 Ca -0.16 -1.26 0.04 0.00 -0.71 0.00 0.00 52.86 50.78 1toq s ASN 16 Cb -0.17 -1.60 -0.05 0.00 0.41 0.00 0.00 41.25 39.83 1toq s ASN 16 CO 0.07 -0.19 -0.02 -1.48 -1.51 0.00 0.00 177.10 173.97 1toq s LEU 17 N 1.18 2.26 0.08 0.60 0.05 -0.47 -1.04 118.68 121.34 1toq s LEU 17 Ca -0.06 -1.21 0.09 0.00 0.05 0.00 0.00 54.13 52.99 1toq s LEU 17 Cb -0.19 -0.35 -0.03 0.00 -2.05 0.00 0.00 46.19 43.56 1toq s LEU 17 CO -0.04 -0.48 -0.23 -0.44 -0.55 0.00 0.00 176.35 174.61 1toq s SER 18 N -3.34 2.78 0.15 1.48 0.01 -0.84 0.81 113.70 114.74 1toq s SER 18 Ca 0.29 -0.63 -0.11 0.00 1.31 0.00 0.00 55.95 56.81 1toq s SER 18 Cb 0.05 -0.20 0.00 0.00 0.21 0.00 0.00 66.02 66.08 1toq s SER 18 CO 0.09 0.15 0.31 -0.72 0.41 0.00 0.00 173.24 173.49 1toq s TYR 19 N -0.96 0.19 -0.12 2.43 1.13 -0.46 0.00 117.35 119.55 1toq s TYR 19 Ca 0.09 -0.56 0.02 0.00 -1.41 0.00 0.00 57.07 55.21 1toq s TYR 19 Cb -0.10 0.05 0.01 0.00 -1.10 0.00 0.00 41.96 40.83 1toq s TYR 19 CO 0.03 -0.70 -0.17 1.21 -2.51 0.00 0.00 175.55 173.41 1toq s ASN 20 N -2.91 2.67 0.00 -0.18 3.84 -0.73 0.11 114.94 117.74 1toq s ASN 20 Ca 0.11 -0.49 0.02 0.00 0.21 0.00 0.00 52.86 52.72 1toq s ASN 20 Cb 0.03 -1.21 0.10 0.00 -0.55 0.00 0.00 41.25 39.63 1toq s ASN 20 CO -0.05 0.03 0.99 1.17 -2.79 0.00 0.00 177.10 176.46 1toq n LYS 21 N 4.22 0.01 -0.00 0.43 4.81 -1.26 -1.72 118.16 124.65 1toq n LYS 21 Ca -0.19 0.38 0.04 0.00 -0.87 0.00 0.00 58.31 57.67 1toq n LYS 21 Cb 0.51 -1.50 -0.05 0.00 0.02 0.00 0.00 35.03 34.02 1toq n LYS 21 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1toq n GLU 22 N -1.41 3.65 0.00 1.64 2.13 -1.26 -4.62 120.64 120.76 1toq n GLU 22 Ca 0.01 -0.01 0.00 0.00 0.66 0.00 0.00 57.16 57.81 1toq n GLU 22 Cb 0.02 -0.92 0.00 0.00 0.27 0.00 0.00 31.44 30.81 1toq n GLU 22 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1toq n THR 23 N -1.30 0.00 -3.27 6.31 -2.24 -0.70 -5.06 114.28 108.03 1toq n THR 23 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1toq n THR 23 Cb 0.13 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1toq n THR 23 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1toq n ALA 24 N -2.30 0.00 -1.79 6.98 0.00 -1.21 -4.64 120.51 117.56 1toq n ALA 24 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.04 1toq n ALA 24 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1toq n ALA 24 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1toq s ILE 25 N -2.66 3.64 0.00 0.00 -1.09 -1.10 -1.78 121.20 118.21 1toq s ILE 25 Ca 0.00 1.63 0.00 0.00 -2.23 0.00 0.00 60.65 60.05 1toq s ILE 25 Cb 0.00 -4.04 0.00 0.00 -1.58 0.00 0.00 42.46 36.84 1toq s ILE 25 CO 0.00 0.38 0.00 0.61 -1.23 0.00 0.00 174.94 174.70 1toq n GLY 26 N 1.33 0.43 3.79 6.18 0.00 0.10 -1.82 105.19 115.20 1toq n GLY 26 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 1toq n GLY 26 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1toq s ASP 27 N 0.20 4.88 -0.24 1.61 1.11 -1.25 -4.37 116.67 118.61 1toq s ASP 27 Ca 0.00 1.75 -0.11 0.00 0.18 0.00 0.00 52.55 54.37 1toq s ASP 27 Cb 0.00 -2.51 0.09 0.00 1.07 0.00 0.00 42.92 41.57 1toq s ASP 27 CO 0.00 -1.78 0.56 0.12 1.18 0.00 0.00 175.17 175.24 1toq s PHE 28 N -2.94 -1.00 -0.17 4.23 5.36 -0.35 -1.99 117.98 121.12 1toq s PHE 28 Ca 0.60 1.89 -0.17 0.00 -0.96 0.00 0.00 56.93 58.29 1toq s PHE 28 Cb -0.16 0.54 0.05 0.00 -0.34 0.00 0.00 43.02 43.10 1toq s PHE 28 CO 0.55 -0.52 0.47 -1.14 -1.46 0.00 0.00 175.22 173.12 1toq s GLN 29 N 2.21 0.56 -0.02 10.12 -0.44 -0.21 -0.70 119.66 131.19 1toq s GLN 29 Ca -0.07 0.63 0.05 0.00 -2.50 0.00 0.00 55.36 53.48 1toq s GLN 29 Cb -0.09 0.27 -0.01 0.00 -1.64 0.00 0.00 33.01 31.53 1toq s GLN 29 CO -0.17 -0.07 -0.18 0.08 0.50 0.00 0.00 175.29 175.45 1toq s VAL 30 N 0.19 1.41 -0.37 1.34 1.01 -1.26 -0.27 120.40 122.44 1toq s VAL 30 Ca -0.00 -0.76 -0.11 0.00 0.00 0.00 0.00 61.98 61.10 1toq s VAL 30 Cb -0.03 -1.17 0.02 0.00 0.00 0.00 0.00 36.38 35.20 1toq s VAL 30 CO 0.01 0.40 0.22 -0.69 0.00 0.00 0.00 175.10 175.03 1toq s VAL 31 N -0.38 4.68 0.60 2.92 1.01 0.46 -0.92 120.40 128.75 1toq s VAL 31 Ca 0.06 -0.80 -0.00 0.00 0.00 0.00 0.00 61.98 61.24 1toq s VAL 31 Cb -0.07 -3.60 0.05 0.00 0.00 0.00 0.00 36.38 32.76 1toq s VAL 31 CO -0.00 -0.23 0.84 -0.31 0.00 0.00 0.00 175.10 175.40 1toq s TYR 32 N 1.58 2.73 -0.14 5.22 2.02 -0.01 -0.97 117.35 127.78 1toq s TYR 32 Ca 0.03 0.04 -0.14 0.00 -0.37 0.00 0.00 57.07 56.63 1toq s TYR 32 Cb -0.19 -2.86 -0.05 0.00 -0.40 0.00 0.00 41.96 38.47 1toq s TYR 32 CO 0.07 -1.06 0.30 0.34 -1.57 0.00 0.00 175.55 173.64 1toq s ASP 33 N -4.48 6.48 -0.41 2.29 2.15 0.14 -1.35 116.67 121.49 1toq s ASP 33 Ca 0.59 0.56 0.03 0.00 0.43 0.00 0.00 52.55 54.16 1toq s ASP 33 Cb -0.10 -2.19 0.12 0.00 -0.30 0.00 0.00 42.92 40.45 1toq s ASP 33 CO 0.40 0.13 0.16 -0.22 -0.17 0.00 0.00 175.17 175.47 1toq s LEU 34 N 0.27 3.78 -1.26 -1.34 2.96 0.17 -0.68 118.68 122.57 1toq s LEU 34 Ca 0.18 -2.45 -0.11 0.00 -0.22 0.00 0.00 54.13 51.52 1toq s LEU 34 Cb -0.13 -1.38 -0.00 0.00 0.50 0.00 0.00 46.19 45.17 1toq s LEU 34 CO 0.05 -0.31 0.63 0.59 -1.32 0.00 0.00 176.35 175.99 1toq n ASN 35 N 3.83 -2.94 0.00 3.68 5.03 -1.26 -1.44 115.26 122.15 1toq n ASN 35 Ca 0.04 -1.01 0.00 0.00 0.87 0.00 0.00 54.58 54.49 1toq n ASN 35 Cb 0.37 -3.25 0.00 0.00 -1.02 0.00 0.00 39.78 35.88 1toq n ASN 35 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1toq n GLY 36 N -1.81 1.79 3.35 7.41 0.00 -1.26 -5.02 105.19 109.66 1toq n GLY 36 Ca -0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 1toq n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1toq s SER 37 N -3.37 3.00 0.39 1.61 0.01 -0.52 -5.12 113.70 109.70 1toq s SER 37 Ca 0.00 -0.77 -0.26 0.00 1.31 0.00 0.00 55.95 56.23 1toq s SER 37 Cb 0.00 -0.19 -0.09 0.00 0.21 0.00 0.00 66.02 65.95 1toq s SER 37 CO 0.00 0.10 1.24 -2.84 0.41 0.00 0.00 173.24 172.15 1toq s PRO 38 N -2.24 4.06 -0.16 12.44 0.02 -1.26 0.43 135.00 148.28 1toq s PRO 38 Ca 0.13 2.02 -0.03 0.00 0.02 0.00 0.00 61.00 63.14 1toq s PRO 38 Cb -0.09 -2.77 0.05 0.00 0.02 0.00 0.00 34.50 31.72 1toq s PRO 38 CO 0.06 -0.37 0.04 -0.47 -0.33 0.00 0.00 177.00 175.94 1toq s TYR 39 N -1.31 0.74 -0.30 6.54 6.14 -0.46 -4.80 117.35 123.91 1toq s TYR 39 Ca 0.56 -0.57 -0.29 0.00 0.64 0.00 0.00 57.07 57.41 1toq s TYR 39 Cb -0.35 -0.89 0.00 0.00 0.42 0.00 0.00 41.96 41.14 1toq s TYR 39 CO 0.45 -0.52 1.25 0.08 0.64 0.00 0.00 175.55 177.44 1toq s VAL 40 N 1.95 4.22 0.72 3.14 1.01 -1.26 -0.83 120.40 129.36 1toq s VAL 40 Ca 0.01 1.39 -0.11 0.00 0.00 0.00 0.00 61.98 63.27 1toq s VAL 40 Cb -0.16 -4.21 0.02 0.00 0.00 0.00 0.00 36.38 32.04 1toq s VAL 40 CO -0.08 -0.46 1.08 -0.83 0.00 0.00 0.00 175.10 174.81 1toq s GLY 41 N 2.50 1.64 0.68 4.51 0.00 -0.10 -4.98 107.32 111.57 1toq s GLY 41 Ca 0.54 -0.22 -0.16 0.00 0.00 0.00 0.00 44.72 44.88 1toq s GLY 41 CO 0.21 0.15 1.20 1.62 0.00 0.00 0.00 173.10 176.28 1toq s GLN 42 N -5.24 2.47 0.05 2.90 0.74 -1.26 -4.69 119.66 114.64 1toq s GLN 42 Ca 0.58 1.76 -0.27 0.00 0.05 0.00 0.00 55.36 57.49 1toq s GLN 42 Cb -0.12 -1.87 -0.05 0.00 1.10 0.00 0.00 33.01 32.06 1toq s GLN 42 CO 0.53 -1.58 0.84 1.21 -0.55 0.00 0.00 175.29 175.74 1toq s ASN 43 N -1.93 7.30 -0.54 6.67 2.47 -1.26 -4.55 114.94 123.09 1toq s ASN 43 Ca 0.75 1.55 -0.05 0.00 0.42 0.00 0.00 52.86 55.53 1toq s ASN 43 Cb -0.29 -2.51 0.14 0.00 -1.45 0.00 0.00 41.25 37.14 1toq s ASN 43 CO 0.41 -0.04 0.37 -1.00 -3.72 0.00 0.00 177.10 173.12 1toq s HIS 44 N 0.09 3.49 0.31 0.43 3.76 0.12 -5.01 115.29 118.49 1toq s HIS 44 Ca 0.42 -2.38 -0.09 0.00 -0.15 0.00 0.00 55.06 52.87 1toq s HIS 44 Cb -0.21 -3.33 -0.06 0.00 1.11 0.00 0.00 32.58 30.09 1toq s HIS 44 CO 0.25 -0.93 0.63 -1.54 -0.85 0.00 0.00 174.74 172.30 1toq s SER 45 N 1.61 6.54 0.73 1.40 1.04 -1.26 -1.21 113.70 122.55 1toq s SER 45 Ca 0.12 0.94 -0.11 0.00 0.48 0.00 0.00 55.95 57.38 1toq s SER 45 Cb -0.22 -2.24 0.03 0.00 0.10 0.00 0.00 66.02 63.70 1toq s SER 45 CO -0.03 -0.22 1.08 -0.55 0.98 0.00 0.00 173.24 174.49 1toq s SER 46 N -2.87 4.98 0.30 7.02 0.15 -1.26 -4.79 113.70 117.23 1toq s SER 46 Ca 0.48 1.73 0.12 0.00 0.70 0.00 0.00 55.95 58.97 1toq s SER 46 Cb -0.11 -2.51 0.45 0.00 -1.71 0.00 0.00 66.02 62.15 1toq s SER 46 CO 0.27 -1.71 1.66 -0.26 1.20 0.00 0.00 173.24 174.40 1toq h PHE 47 N -0.85 0.00 -3.65 3.44 0.04 -0.29 -3.46 116.94 112.16 1toq h PHE 47 Ca -0.44 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.33 1toq h PHE 47 Cb 1.22 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.37 1toq h PHE 47 CO 0.60 0.55 0.00 0.44 -0.60 0.00 0.00 178.31 179.30 1toq n ILE 48 N -3.83 0.00 -3.88 -0.55 -5.35 -1.26 -5.03 119.36 99.46 1toq n ILE 48 Ca -0.01 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 1toq n ILE 48 Cb 0.57 -0.41 0.00 0.00 -1.74 0.00 0.00 39.64 38.05 1toq n ILE 48 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1toq n SER 49 N -1.19 0.60 0.00 7.28 7.64 -1.26 -4.94 113.62 121.75 1toq n SER 49 Ca 0.00 -0.88 0.00 0.00 1.01 0.00 0.00 58.87 59.00 1toq n SER 49 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1toq n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1toq n GLY 50 N 1.51 1.07 3.98 0.23 0.00 -1.26 -5.10 105.19 105.62 1toq n GLY 50 Ca 0.00 -0.27 -0.20 0.00 0.00 0.00 0.00 46.02 45.54 1toq n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1toq s PHE 51 N -2.00 3.19 -0.26 1.61 0.08 -1.26 -4.79 117.98 114.56 1toq s PHE 51 Ca 0.00 -0.09 -0.08 0.00 0.12 0.00 0.00 56.93 56.87 1toq s PHE 51 Cb 0.00 -1.99 -0.03 0.00 -0.57 0.00 0.00 43.02 40.42 1toq s PHE 51 CO 0.00 -0.01 0.10 0.99 -0.10 0.00 0.00 175.22 176.20 1toq s THR 52 N -2.22 4.56 0.22 0.64 2.01 0.30 -4.82 115.64 116.33 1toq s THR 52 Ca 0.44 -0.09 -0.30 0.00 0.31 0.00 0.00 61.69 62.05 1toq s THR 52 Cb -0.10 -3.14 -0.08 0.00 0.01 0.00 0.00 72.50 69.19 1toq s THR 52 CO 0.32 0.32 1.07 -2.16 -0.69 0.00 0.00 174.62 173.48 1toq s PRO 53 N 1.63 4.66 0.01 4.92 0.04 -1.26 -1.36 135.00 143.64 1toq s PRO 53 Ca 0.06 1.70 0.06 0.00 0.04 0.00 0.00 61.00 62.86 1toq s PRO 53 Cb -0.15 -3.26 -0.02 0.00 0.04 0.00 0.00 34.50 31.11 1toq s PRO 53 CO 0.05 0.20 -0.19 0.08 0.04 0.00 0.00 177.00 177.18 1toq s VAL 54 N -0.67 1.54 -0.25 -0.36 1.01 0.24 -4.96 120.40 116.95 1toq s VAL 54 Ca 0.46 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.51 1toq s VAL 54 Cb -0.29 -1.30 0.06 0.00 0.00 0.00 0.00 36.38 34.84 1toq s VAL 54 CO 0.36 0.33 -0.08 -0.75 0.00 0.00 0.00 175.10 174.96 1toq s LYS 55 N -0.72 1.95 -0.51 2.72 2.20 -1.26 -1.37 119.74 122.75 1toq s LYS 55 Ca 0.07 -1.16 -0.16 0.00 -0.36 0.00 0.00 55.97 54.36 1toq s LYS 55 Cb -0.08 -2.73 0.11 0.00 -1.51 0.00 0.00 37.83 33.62 1toq s LYS 55 CO 0.00 -0.58 0.46 0.42 -0.36 0.00 0.00 175.35 175.29 1toq s ILE 56 N 1.25 5.22 -0.36 5.43 1.01 0.30 -4.98 121.20 129.07 1toq s ILE 56 Ca -0.07 -1.31 -0.13 0.00 0.00 0.00 0.00 60.65 59.14 1toq s ILE 56 Cb -0.19 -4.25 -0.00 0.00 0.01 0.00 0.00 42.46 38.02 1toq s ILE 56 CO -0.06 -0.75 0.25 -0.44 0.00 0.00 0.00 174.94 173.95 1toq s SER 57 N 3.17 6.01 0.24 3.58 0.01 -1.26 -0.54 113.70 124.91 1toq s SER 57 Ca 0.03 -0.59 -0.21 0.00 1.31 0.00 0.00 55.95 56.50 1toq s SER 57 Cb -0.28 -2.13 -0.09 0.00 0.21 0.00 0.00 66.02 63.74 1toq s SER 57 CO 0.05 -0.30 0.77 -0.76 0.41 0.00 0.00 173.24 173.40 1toq s LEU 58 N 1.69 4.34 -1.27 2.44 1.02 -1.00 -4.99 118.68 120.91 1toq s LEU 58 Ca 0.05 1.50 -0.10 0.00 0.02 0.00 0.00 54.13 55.60 1toq s LEU 58 Cb -0.18 -3.67 0.17 0.00 0.02 0.00 0.00 46.19 42.53 1toq s LEU 58 CO 0.10 0.01 1.81 -0.67 0.02 0.00 0.00 176.35 177.62 1toq n ASP 59 N 0.68 5.13 -4.76 2.29 2.03 -1.26 -4.85 116.55 115.80 1toq n ASP 59 Ca -0.01 -3.10 -0.41 0.00 0.52 0.00 0.00 54.79 51.79 1toq n ASP 59 Cb 0.51 -1.49 -0.03 0.00 -0.72 0.00 0.00 41.12 39.39 1toq n ASP 59 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 1toq s PHE 60 N 0.49 3.22 -1.04 -0.67 5.36 -1.26 0.00 117.98 124.08 1toq s PHE 60 Ca 0.40 1.45 0.14 0.00 -0.96 0.00 0.00 56.93 57.96 1toq s PHE 60 Cb 0.08 -3.57 0.62 0.00 -0.34 0.00 0.00 43.02 39.81 1toq s PHE 60 CO 0.01 -1.54 1.49 -0.35 -1.46 0.00 0.00 175.22 173.37 1toq n PRO 61 N 1.22 3.47 0.08 10.12 -0.04 -1.26 -4.88 135.00 143.72 1toq n PRO 61 Ca 0.01 -2.42 -0.05 0.00 -0.04 0.00 0.00 63.50 61.00 1toq n PRO 61 Cb 0.43 -1.86 -0.05 0.00 -0.04 0.00 0.00 33.50 31.97 1toq n PRO 61 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1toq h SER 62 N 3.38 0.00 -3.09 3.54 0.02 -1.50 -3.42 113.55 112.48 1toq h SER 62 Ca 0.00 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.32 1toq h SER 62 Cb 1.35 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.77 1toq h SER 62 CO 0.24 0.86 -0.52 -0.70 -1.14 0.00 0.00 176.83 175.57 1toq s GLU 63 N -2.89 3.78 0.00 3.45 2.12 0.10 -4.93 118.70 120.33 1toq s GLU 63 Ca 0.01 -0.25 -0.15 0.00 0.36 0.00 0.00 54.97 54.94 1toq s GLU 63 Cb 0.10 -3.23 0.02 0.00 0.26 0.00 0.00 34.13 31.28 1toq s GLU 63 CO 0.80 0.48 0.33 1.52 -0.54 0.00 0.00 175.26 177.84 1toq s TYR 64 N -0.18 -0.18 0.33 5.30 -0.85 -1.26 -4.19 117.35 116.32 1toq s TYR 64 Ca 0.09 0.21 -0.29 0.00 -0.52 0.00 0.00 57.07 56.56 1toq s TYR 64 Cb -0.12 0.11 -0.11 0.00 0.38 0.00 0.00 41.96 42.23 1toq s TYR 64 CO 0.01 -0.44 1.50 0.42 -1.52 0.00 0.00 175.55 175.52 1toq s ILE 65 N -1.73 2.19 0.00 -3.49 1.01 -1.26 -2.24 121.20 115.68 1toq s ILE 65 Ca -0.11 0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.72 1toq s ILE 65 Cb -0.04 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.32 1toq s ILE 65 CO 0.02 0.04 0.05 0.35 0.00 0.00 0.00 174.94 175.39 1toq n THR 66 N 1.33 0.00 -3.66 2.92 -2.24 0.30 -4.77 114.28 108.17 1toq n THR 66 Ca 0.04 -0.37 -0.13 0.00 -2.27 0.00 0.00 64.05 61.31 1toq n THR 66 Cb 0.39 1.03 -0.08 0.00 -2.10 0.00 0.00 70.33 69.57 1toq n THR 66 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1toq s GLU 67 N -0.65 0.73 -0.05 -0.78 2.12 -0.89 0.03 118.70 119.21 1toq s GLU 67 Ca 0.00 0.89 0.05 0.00 0.36 0.00 0.00 54.97 56.27 1toq s GLU 67 Cb 0.00 0.34 -0.00 0.00 0.26 0.00 0.00 34.13 34.73 1toq s GLU 67 CO 0.00 -0.09 -0.19 0.08 -0.54 0.00 0.00 175.26 174.52 1toq s VAL 68 N 0.41 1.58 0.29 3.70 1.01 -0.28 -0.91 120.40 126.19 1toq s VAL 68 Ca -0.01 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.14 1toq s VAL 68 Cb -0.04 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 34.97 1toq s VAL 68 CO -0.00 0.45 0.39 -0.94 0.00 0.00 0.00 175.10 175.00 1toq s SER 69 N 0.06 0.59 0.00 3.32 1.04 -0.52 0.94 113.70 119.13 1toq s SER 69 Ca -0.05 -1.36 0.00 0.00 0.48 0.00 0.00 55.95 55.02 1toq s SER 69 Cb -0.13 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.58 1toq s SER 69 CO 0.03 -1.15 0.00 0.61 0.98 0.00 0.00 173.24 173.71 1toq n GLY 70 N -0.47 -0.54 2.86 7.32 0.00 -0.09 -0.38 105.19 113.89 1toq n GLY 70 Ca 0.01 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 1toq n GLY 70 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1toq s TYR 71 N -3.07 0.02 0.06 1.61 1.51 -1.05 -0.25 117.35 116.18 1toq s TYR 71 Ca 0.00 0.02 0.07 0.00 -1.01 0.00 0.00 57.07 56.15 1toq s TYR 71 Cb 0.00 -0.05 -0.03 0.00 -0.11 0.00 0.00 41.96 41.77 1toq s TYR 71 CO 0.00 -0.01 -0.17 0.95 -1.11 0.00 0.00 175.55 175.21 1toq s THR 72 N 0.16 2.90 0.05 -0.71 -4.23 0.56 0.50 115.64 114.86 1toq s THR 72 Ca -0.01 -1.23 -0.27 0.00 -1.18 0.00 0.00 61.69 58.99 1toq s THR 72 Cb -0.02 -2.26 0.10 0.00 1.34 0.00 0.00 72.50 71.66 1toq s THR 72 CO -0.00 0.27 1.19 -0.83 -0.54 0.00 0.00 174.62 174.71 1toq s GLY 73 N -1.64 -0.18 -0.05 3.99 0.00 -0.72 0.29 107.32 109.02 1toq s GLY 73 Ca 0.16 0.17 -0.29 0.00 0.00 0.00 0.00 44.72 44.76 1toq s GLY 73 CO 0.07 2.37 0.96 -1.31 0.00 0.00 0.00 173.10 175.19 1toq s ASN 74 N -3.34 7.28 -0.11 1.64 0.01 -1.26 -1.52 114.94 117.65 1toq s ASN 74 Ca 0.20 1.56 -0.01 0.00 -0.71 0.00 0.00 52.86 53.91 1toq s ASN 74 Cb 0.01 -2.55 0.03 0.00 0.41 0.00 0.00 41.25 39.15 1toq s ASN 74 CO 0.00 -0.31 -0.03 -0.69 -1.51 0.00 0.00 177.10 174.55 1toq s VAL 75 N 1.36 0.74 -1.57 1.60 1.01 0.21 -4.81 120.40 118.93 1toq s VAL 75 Ca 0.49 -0.20 -0.14 0.00 0.00 0.00 0.00 61.98 62.13 1toq s VAL 75 Cb -0.20 -0.88 0.10 0.00 0.00 0.00 0.00 36.38 35.40 1toq s VAL 75 CO 0.23 0.24 0.88 -1.20 0.00 0.00 0.00 175.10 175.26 1toq n SER 76 N 5.02 -3.95 0.00 3.32 7.64 -1.26 0.09 113.62 124.48 1toq n SER 76 Ca -0.10 -0.86 0.00 0.00 1.01 0.00 0.00 58.87 58.92 1toq n SER 76 Cb 0.49 -3.50 0.00 0.00 -1.01 0.00 0.00 64.21 60.19 1toq n SER 76 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1toq n GLY 77 N -1.61 2.72 3.74 0.23 0.00 -1.26 -5.03 105.19 103.98 1toq n GLY 77 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1toq n GLY 77 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1toq s TYR 78 N -2.09 3.32 -0.34 1.61 2.02 0.11 -5.02 117.35 116.96 1toq s TYR 78 Ca 0.00 0.29 -0.27 0.00 -0.37 0.00 0.00 57.07 56.72 1toq s TYR 78 Cb 0.00 -1.88 0.01 0.00 -0.40 0.00 0.00 41.96 39.70 1toq s TYR 78 CO 0.00 0.52 0.96 0.08 -1.57 0.00 0.00 175.55 175.54 1toq s VAL 79 N -0.77 4.59 0.38 0.71 1.01 -1.26 0.63 120.40 125.69 1toq s VAL 79 Ca 0.12 1.41 0.04 0.00 0.00 0.00 0.00 61.98 63.56 1toq s VAL 79 Cb -0.12 -4.34 -0.03 0.00 0.00 0.00 0.00 36.38 31.90 1toq s VAL 79 CO 0.03 -0.47 0.14 0.68 0.00 0.00 0.00 175.10 175.48 1toq s VAL 80 N 3.47 0.55 -0.35 2.92 -7.23 -0.57 -4.76 120.40 114.42 1toq s VAL 80 Ca 0.40 -2.00 -0.22 0.00 -1.81 0.00 0.00 61.98 58.35 1toq s VAL 80 Cb -0.12 -2.41 0.00 0.00 0.56 0.00 0.00 36.38 34.41 1toq s VAL 80 CO 0.16 0.00 0.71 -0.69 -0.31 0.00 0.00 175.10 174.98 1toq s VAL 81 N -3.28 4.82 -0.14 1.32 1.01 0.77 -1.76 120.40 123.14 1toq s VAL 81 Ca 0.27 0.81 0.17 0.00 0.00 0.00 0.00 61.98 63.23 1toq s VAL 81 Cb 0.03 -4.13 -0.07 0.00 0.00 0.00 0.00 36.38 32.21 1toq s VAL 81 CO 0.16 -0.34 1.00 0.03 0.00 0.00 0.00 175.10 175.95 1toq h ARG 82 N 8.40 0.00 -2.99 2.72 3.08 -0.24 -2.91 114.38 122.43 1toq h ARG 82 Ca -0.25 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.76 1toq h ARG 82 Cb 1.10 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 31.02 1toq h ARG 82 CO 0.87 0.30 0.15 -1.54 -1.07 0.00 0.00 179.97 178.68 1toq s SER 83 N -5.89 -0.51 0.03 7.04 1.04 -1.19 -1.66 113.70 112.56 1toq s SER 83 Ca -0.01 0.00 0.01 0.00 0.48 0.00 0.00 55.95 56.43 1toq s SER 83 Cb 0.08 0.57 -0.02 0.00 0.10 0.00 0.00 66.02 66.75 1toq s SER 83 CO 0.79 -0.91 -0.05 -0.76 0.98 0.00 0.00 173.24 173.29 1toq s LEU 84 N -2.60 2.20 -0.03 2.42 1.02 -0.94 -2.53 118.68 118.22 1toq s LEU 84 Ca 0.00 -0.43 0.02 0.00 0.02 0.00 0.00 54.13 53.74 1toq s LEU 84 Cb -0.00 -0.08 0.01 0.00 0.02 0.00 0.00 46.19 46.14 1toq s LEU 84 CO -0.11 -0.19 -0.07 -0.89 0.02 0.00 0.00 176.35 175.12 1toq s THR 85 N -1.14 0.66 -0.19 5.49 2.01 0.49 -1.72 115.64 121.24 1toq s THR 85 Ca -0.10 -0.28 0.01 0.00 0.31 0.00 0.00 61.69 61.64 1toq s THR 85 Cb -0.08 -0.61 0.02 0.00 0.01 0.00 0.00 72.50 71.84 1toq s THR 85 CO -0.00 0.22 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.60 1toq s PHE 86 N 0.33 2.83 -0.18 4.92 0.08 -0.09 -1.44 117.98 124.44 1toq s PHE 86 Ca -0.05 -1.70 -0.04 0.00 0.12 0.00 0.00 56.93 55.26 1toq s PHE 86 Cb -0.09 -1.93 -0.03 0.00 -0.57 0.00 0.00 43.02 40.41 1toq s PHE 86 CO 0.00 -0.81 -0.02 0.21 -0.10 0.00 0.00 175.22 174.51 1toq s LYS 87 N 1.28 3.65 0.45 0.44 2.20 -0.09 -0.33 119.74 127.33 1toq s LYS 87 Ca 0.04 -0.52 0.05 0.00 -0.36 0.00 0.00 55.97 55.19 1toq s LYS 87 Cb -0.14 -3.00 0.05 0.00 -1.51 0.00 0.00 37.83 33.24 1toq s LYS 87 CO -0.12 0.13 0.45 0.25 -0.36 0.00 0.00 175.35 175.70 1toq n THR 88 N 3.88 0.00 0.56 3.43 -2.24 0.10 -0.54 114.28 119.47 1toq n THR 88 Ca -0.17 -1.65 0.11 0.00 -2.27 0.00 0.00 64.05 60.07 1toq n THR 88 Cb 0.52 -0.32 0.43 0.00 -2.10 0.00 0.00 70.33 68.86 1toq n THR 88 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1toq n ASN 89 N -2.11 0.35 -0.00 3.42 6.94 -0.95 -3.34 115.26 119.56 1toq n ASN 89 Ca 0.04 0.57 0.01 0.00 -0.02 0.00 0.00 54.58 55.18 1toq n ASN 89 Cb 0.49 -0.65 -0.02 0.00 -2.36 0.00 0.00 39.78 37.24 1toq n ASN 89 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 1toq n LYS 90 N -1.87 0.60 -3.61 -3.83 5.02 -1.26 -5.06 118.16 108.14 1toq n LYS 90 Ca 0.04 -0.02 -0.08 0.00 -2.02 0.00 0.00 58.31 56.23 1toq n LYS 90 Cb 0.25 -1.06 -0.02 0.00 -0.02 0.00 0.00 35.03 34.19 1toq n LYS 90 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1toq s LYS 91 N -2.15 1.24 -0.16 1.97 2.20 -1.21 -5.15 119.74 116.47 1toq s LYS 91 Ca -0.01 -0.58 -0.01 0.00 -0.36 0.00 0.00 55.97 55.01 1toq s LYS 91 Cb 0.01 0.49 -0.01 0.00 -1.51 0.00 0.00 37.83 36.82 1toq s LYS 91 CO 0.10 -0.56 -0.11 0.99 -0.36 0.00 0.00 175.35 175.42 1toq s THR 92 N -3.50 3.07 -0.20 3.43 2.01 -1.26 0.00 115.64 119.19 1toq s THR 92 Ca 0.07 -0.63 -0.04 0.00 0.31 0.00 0.00 61.69 61.40 1toq s THR 92 Cb -0.02 -2.33 -0.02 0.00 0.01 0.00 0.00 72.50 70.15 1toq s THR 92 CO -0.04 0.49 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.03 1toq s TYR 93 N 0.78 2.97 0.00 4.92 1.51 0.55 -5.00 117.35 123.07 1toq s TYR 93 Ca -0.04 -0.68 0.00 0.00 -1.01 0.00 0.00 57.07 55.33 1toq s TYR 93 Cb -0.15 -2.05 0.00 0.00 -0.11 0.00 0.00 41.96 39.65 1toq s TYR 93 CO 0.01 -0.36 0.00 0.41 -1.11 0.00 0.00 175.55 174.51 1toq n GLY 94 N 4.33 -0.75 3.78 0.71 0.00 -1.26 -0.91 105.19 111.08 1toq n GLY 94 Ca -0.18 -2.18 -0.35 0.00 0.00 0.00 0.00 46.02 43.31 1toq n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1toq s PRO 95 N -0.01 3.46 -0.15 1.61 0.04 -1.26 -4.97 135.00 133.72 1toq s PRO 95 Ca 0.00 1.53 -0.01 0.00 0.04 0.00 0.00 61.00 62.56 1toq s PRO 95 Cb 0.00 -2.03 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 1toq s PRO 95 CO 0.00 -0.75 -0.11 0.71 0.04 0.00 0.00 177.00 176.89 1toq s TYR 96 N -1.86 2.86 0.00 0.56 1.51 -0.70 -4.98 117.35 114.74 1toq s TYR 96 Ca 0.71 -0.69 0.00 0.00 -1.01 0.00 0.00 57.07 56.08 1toq s TYR 96 Cb -0.22 -1.90 0.00 0.00 -0.11 0.00 0.00 41.96 39.73 1toq s TYR 96 CO 0.26 -0.27 0.00 0.41 -1.11 0.00 0.00 175.55 174.84 1toq n GLY 97 N 3.77 -1.30 3.58 0.71 0.00 -1.26 -2.22 105.19 108.47 1toq n GLY 97 Ca -0.18 -2.09 -0.41 0.00 0.00 0.00 0.00 46.02 43.34 1toq n GLY 97 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1toq s VAL 98 N 0.00 4.96 -1.44 1.61 1.01 -0.67 -4.89 120.40 120.98 1toq s VAL 98 Ca 0.00 0.62 -0.12 0.00 0.00 0.00 0.00 61.98 62.48 1toq s VAL 98 Cb 0.00 -4.00 0.05 0.00 0.00 0.00 0.00 36.38 32.43 1toq s VAL 98 CO 0.00 -0.20 2.28 0.35 0.00 0.00 0.00 175.10 177.53 1toq n THR 99 N 5.45 3.88 -3.81 3.92 -2.24 -1.26 -4.03 114.28 116.18 1toq n THR 99 Ca -0.02 -3.31 -0.12 0.00 -2.27 0.00 0.00 64.05 58.32 1toq n THR 99 Cb 0.49 -2.53 -0.09 0.00 -2.10 0.00 0.00 70.33 66.10 1toq n THR 99 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1toq s SER 100 N 2.38 -0.11 0.00 3.42 0.15 -1.26 -5.09 113.70 113.19 1toq s SER 100 Ca 0.49 0.02 0.00 0.00 0.70 0.00 0.00 55.95 57.16 1toq s SER 100 Cb 0.14 0.29 0.00 0.00 -1.71 0.00 0.00 66.02 64.74 1toq s SER 100 CO -0.07 -0.37 0.00 0.61 1.20 0.00 0.00 173.24 174.61 1toq n GLY 101 N 1.54 0.21 3.65 9.45 0.00 -1.26 -4.66 105.19 114.12 1toq n GLY 101 Ca -0.21 -1.95 -0.36 0.00 0.00 0.00 0.00 46.02 43.50 1toq n GLY 101 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1toq s THR 102 N 0.00 5.21 0.65 2.61 -1.32 0.15 -4.87 115.64 118.08 1toq s THR 102 Ca 0.00 0.13 -0.14 0.00 -1.21 0.00 0.00 61.69 60.47 1toq s THR 102 Cb 0.00 -3.41 -0.01 0.00 -1.51 0.00 0.00 72.50 67.57 1toq s THR 102 CO 0.00 0.38 1.08 -2.16 -2.21 0.00 0.00 174.62 171.70 1toq s PRO 103 N 0.88 2.97 0.06 7.08 0.04 -1.26 -0.32 135.00 144.45 1toq s PRO 103 Ca 0.07 1.20 -0.11 0.00 0.04 0.00 0.00 61.00 62.20 1toq s PRO 103 Cb -0.13 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.43 1toq s PRO 103 CO 0.03 -1.09 0.23 -0.59 0.04 0.00 0.00 177.00 175.62 1toq s PHE 104 N -2.60 0.03 -0.20 0.56 -0.12 0.65 -4.88 117.98 111.42 1toq s PHE 104 Ca 0.63 -0.31 -0.25 0.00 -0.05 0.00 0.00 56.93 56.94 1toq s PHE 104 Cb -0.17 0.01 0.07 0.00 -0.63 0.00 0.00 43.02 42.29 1toq s PHE 104 CO 0.44 -0.50 0.68 0.54 -0.05 0.00 0.00 175.22 176.33 1toq s ASN 105 N -2.39 -0.69 -0.45 1.98 4.22 -1.26 -0.91 114.94 115.43 1toq s ASN 105 Ca -0.01 1.19 0.02 0.00 -2.14 0.00 0.00 52.86 51.92 1toq s ASN 105 Cb 0.01 1.17 0.14 0.00 1.28 0.00 0.00 41.25 43.85 1toq s ASN 105 CO -0.07 -0.33 0.27 -0.22 -2.04 0.00 0.00 177.10 174.71 1toq s LEU 106 N -0.05 2.62 0.05 3.54 1.98 0.27 -4.98 118.68 122.10 1toq s LEU 106 Ca -0.03 -2.76 -0.27 0.00 -2.89 0.00 0.00 54.13 48.18 1toq s LEU 106 Cb -0.04 -0.98 -0.05 0.00 0.66 0.00 0.00 46.19 45.79 1toq s LEU 106 CO 0.03 -0.24 0.86 -2.16 -1.89 0.00 0.00 176.35 172.95 1toq s PRO 107 N 0.21 4.57 -0.31 0.98 0.05 -1.26 -1.13 135.00 138.10 1toq s PRO 107 Ca 0.20 1.24 -0.05 0.00 0.05 0.00 0.00 61.00 62.44 1toq s PRO 107 Cb -0.19 -3.39 0.03 0.00 0.05 0.00 0.00 34.50 30.99 1toq s PRO 107 CO -0.03 0.17 0.06 0.42 0.05 0.00 0.00 177.00 177.67 1toq s ILE 108 N 0.25 3.60 0.06 0.56 1.01 0.10 -4.97 121.20 121.81 1toq s ILE 108 Ca 0.44 -1.03 -0.15 0.00 0.00 0.00 0.00 60.65 59.91 1toq s ILE 108 Cb -0.21 -2.96 -0.28 0.00 0.01 0.00 0.00 42.46 39.02 1toq s ILE 108 CO 0.26 -0.04 1.12 -0.08 0.00 0.00 0.00 174.94 176.19 1toq h GLU 109 N 8.16 0.64 -2.43 2.79 4.81 -1.97 -3.45 114.58 123.14 1toq h GLU 109 Ca -0.27 -0.81 -0.11 0.00 -0.13 0.00 0.00 59.36 58.04 1toq h GLU 109 Cb 1.10 0.26 -0.28 0.00 0.63 0.00 0.00 28.75 30.46 1toq h GLU 109 CO 0.59 1.37 -0.39 1.21 -0.73 0.00 0.00 179.01 181.05 1toq s ASN 110 N -7.39 -0.16 0.00 1.04 2.47 -1.26 -5.11 114.94 104.53 1toq s ASN 110 Ca -0.10 0.86 0.00 0.00 0.42 0.00 0.00 52.86 54.04 1toq s ASN 110 Cb 0.06 1.29 0.00 0.00 -1.45 0.00 0.00 41.25 41.15 1toq s ASN 110 CO 0.93 -0.24 0.00 0.61 -3.72 0.00 0.00 177.10 174.68 1toq n GLY 111 N 5.39 0.90 3.19 1.21 0.00 -1.26 -4.99 105.19 109.63 1toq n GLY 111 Ca -0.08 -2.03 -0.12 0.00 0.00 0.00 0.00 46.02 43.79 1toq n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1toq s LEU 112 N 0.00 1.10 -0.10 0.99 1.02 -0.05 -4.97 118.68 116.66 1toq s LEU 112 Ca 0.00 -0.04 -0.27 0.00 0.02 0.00 0.00 54.13 53.83 1toq s LEU 112 Cb 0.00 1.07 -0.02 0.00 0.02 0.00 0.00 46.19 47.26 1toq s LEU 112 CO 0.00 -0.44 0.90 -0.63 0.02 0.00 0.00 176.35 176.20 1toq s ILE 113 N -1.46 4.87 0.00 -0.59 -1.09 -1.26 -1.62 121.20 120.05 1toq s ILE 113 Ca -0.13 1.82 0.00 0.00 -2.23 0.00 0.00 60.65 60.11 1toq s ILE 113 Cb -0.06 -4.22 0.00 0.00 -1.58 0.00 0.00 42.46 36.61 1toq s ILE 113 CO 0.03 0.08 0.56 1.33 -1.23 0.00 0.00 174.94 175.71 1toq n VAL 114 N 4.37 0.30 -3.62 2.92 0.24 0.19 -4.51 118.33 118.21 1toq n VAL 114 Ca 0.05 -0.50 -0.03 0.00 -2.04 0.00 0.00 64.34 61.83 1toq n VAL 114 Cb 0.50 1.02 -0.01 0.00 -1.47 0.00 0.00 33.84 33.87 1toq n VAL 114 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1toq s GLY 115 N -0.30 -0.35 0.06 7.63 0.00 -1.23 -1.05 107.32 112.09 1toq s GLY 115 Ca 0.00 0.85 0.02 0.00 0.00 0.00 0.00 44.72 45.59 1toq s GLY 115 CO 0.00 0.23 -0.08 -1.36 0.00 0.00 0.00 173.10 171.89 1toq s PHE 116 N -2.73 0.80 0.12 1.90 0.08 -1.25 -1.73 117.98 115.16 1toq s PHE 116 Ca 0.11 -0.63 -0.10 0.00 0.12 0.00 0.00 56.93 56.43 1toq s PHE 116 Cb 0.01 -0.47 0.00 0.00 -0.57 0.00 0.00 43.02 42.00 1toq s PHE 116 CO -0.04 -0.09 0.26 -1.59 -0.10 0.00 0.00 175.22 173.67 1toq s LYS 117 N -2.34 0.97 0.00 0.44 -2.85 -0.99 -1.25 119.74 113.73 1toq s LYS 117 Ca -0.02 -0.96 0.00 0.00 -1.00 0.00 0.00 55.97 53.99 1toq s LYS 117 Cb -0.05 0.38 0.00 0.00 -2.06 0.00 0.00 37.83 36.10 1toq s LYS 117 CO -0.01 -0.34 0.00 0.41 0.10 0.00 0.00 175.35 175.51 1toq n GLY 118 N -0.13 -0.60 3.54 0.59 0.00 -0.18 -0.35 105.19 108.05 1toq n GLY 118 Ca -0.13 -0.47 -0.13 0.00 0.00 0.00 0.00 46.02 45.29 1toq n GLY 118 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1toq s SER 119 N -4.00 -0.69 -0.05 1.61 0.15 -0.73 0.11 113.70 110.11 1toq s SER 119 Ca 0.00 1.29 0.03 0.00 0.70 0.00 0.00 55.95 57.97 1toq s SER 119 Cb 0.00 1.28 0.01 0.00 -1.71 0.00 0.00 66.02 65.60 1toq s SER 119 CO 0.00 -0.22 -0.13 -0.63 1.20 0.00 0.00 173.24 173.46 1toq s ILE 120 N 0.53 1.15 0.00 6.45 1.01 -1.04 0.09 121.20 129.38 1toq s ILE 120 Ca -0.02 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.11 1toq s ILE 120 Cb -0.05 -1.02 0.00 0.00 0.01 0.00 0.00 42.46 41.41 1toq s ILE 120 CO -0.02 0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.88 1toq n GLY 121 N 3.46 2.12 0.20 6.18 0.00 -1.26 -0.35 105.19 115.54 1toq n GLY 121 Ca -0.20 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 1toq n GLY 121 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1toq h TYR 122 N 0.00 0.78 -2.69 1.61 -1.99 -1.95 0.44 116.97 113.17 1toq h TYR 122 Ca 0.00 -0.23 -0.50 0.00 2.00 0.00 0.00 58.73 60.01 1toq h TYR 122 Cb 0.00 -0.17 -0.14 0.00 2.00 0.00 0.00 36.73 38.43 1toq h TYR 122 CO 0.00 0.94 -0.60 -1.58 -0.00 0.00 0.00 178.16 176.93 1toq s TRP 123 N -4.40 1.98 -0.13 4.88 0.51 -1.26 -4.29 118.94 116.23 1toq s TRP 123 Ca -0.13 -0.97 -0.29 0.00 -2.12 0.00 0.00 56.10 52.59 1toq s TRP 123 Cb 0.08 -1.31 -0.05 0.00 -0.81 0.00 0.00 33.47 31.38 1toq s TRP 123 CO 0.82 0.01 1.82 1.41 -0.51 0.00 0.00 176.95 180.50 1toq s MET 124 N -3.86 3.81 0.11 4.98 -2.45 -0.76 -4.43 119.30 116.70 1toq s MET 124 Ca 0.35 2.04 -0.07 0.00 -1.25 0.00 0.00 55.69 56.76 1toq s MET 124 Cb 0.08 -4.12 -0.14 0.00 1.25 0.00 0.00 34.83 31.90 1toq s MET 124 CO 0.15 -1.29 1.26 -0.44 1.05 0.00 0.00 175.02 175.75 1toq h ASP 125 N 11.32 0.63 -4.58 1.11 3.32 -0.65 0.22 116.42 127.79 1toq h ASP 125 Ca -0.40 -0.51 0.18 0.00 0.02 0.00 0.00 57.03 56.32 1toq h ASP 125 Cb 1.19 -0.19 -0.16 0.00 0.22 0.00 0.00 39.33 40.39 1toq h ASP 125 CO 0.97 1.32 0.64 -0.72 -1.72 0.00 0.00 179.24 179.73 1toq s TYR 126 N -3.23 -0.23 0.03 4.55 -0.85 -1.23 -4.33 117.35 112.06 1toq s TYR 126 Ca -0.07 0.12 -0.18 0.00 -0.52 0.00 0.00 57.07 56.43 1toq s TYR 126 Cb 0.08 0.53 0.03 0.00 0.38 0.00 0.00 41.96 42.99 1toq s TYR 126 CO 0.88 -0.41 0.40 -0.59 -1.52 0.00 0.00 175.55 174.31 1toq s PHE 127 N -2.81 -0.25 0.16 -3.49 -0.71 -1.26 -1.78 117.98 107.83 1toq s PHE 127 Ca 0.08 0.26 0.04 0.00 -1.04 0.00 0.00 56.93 56.27 1toq s PHE 127 Cb -0.01 0.19 -0.04 0.00 -1.21 0.00 0.00 43.02 41.95 1toq s PHE 127 CO -0.06 -0.53 -0.09 -1.12 -1.34 0.00 0.00 175.22 172.08 1toq s SER 128 N -1.84 1.78 0.02 1.98 0.01 0.52 -4.97 113.70 111.21 1toq s SER 128 Ca -0.07 -1.04 0.05 0.00 1.31 0.00 0.00 55.95 56.20 1toq s SER 128 Cb -0.02 -0.00 -0.02 0.00 0.21 0.00 0.00 66.02 66.19 1toq s SER 128 CO -0.01 -0.36 -0.14 -0.04 0.41 0.00 0.00 173.24 173.10 1toq s MET 129 N -3.76 1.02 -0.13 12.44 -1.94 -1.26 -2.34 119.30 123.32 1toq s MET 129 Ca 0.18 -0.69 -0.15 0.00 -1.71 0.00 0.00 55.69 53.32 1toq s MET 129 Cb 0.03 -1.02 -0.05 0.00 2.01 0.00 0.00 34.83 35.80 1toq s MET 129 CO 0.01 0.26 0.35 0.71 -0.01 0.00 0.00 175.02 176.35 1toq s TYR 130 N -0.68 3.50 0.06 -0.03 1.51 -0.71 -4.99 117.35 116.01 1toq s TYR 130 Ca 0.03 0.71 0.08 0.00 -1.01 0.00 0.00 57.07 56.89 1toq s TYR 130 Cb -0.07 -2.39 -0.03 0.00 -0.11 0.00 0.00 41.96 39.36 1toq s TYR 130 CO 0.01 0.27 -0.23 -0.51 -1.11 0.00 0.00 175.55 173.97 1toq s LEU 131 N 0.33 2.21 0.29 -1.29 1.43 -1.26 -0.64 118.68 119.75 1toq s LEU 131 Ca 0.20 -0.60 -0.11 0.00 -1.03 0.00 0.00 54.13 52.59 1toq s LEU 131 Cb -0.14 -1.08 0.01 0.00 0.03 0.00 0.00 46.19 45.01 1toq s LEU 131 CO 0.07 0.17 0.52 -0.55 0.23 0.00 0.00 176.35 176.79 1toq s SER 132 N -1.43 0.17 0.00 2.29 0.15 -0.64 -4.95 113.70 109.29 1toq s SER 132 Ca 0.09 -1.09 0.25 0.00 0.70 0.00 0.00 55.95 55.91 1toq s SER 132 Cb -0.09 0.64 0.45 0.00 -1.71 0.00 0.00 66.02 65.31 1toq s SER 132 CO 0.03 -1.25 1.41 0.18 1.20 0.00 0.00 173.24 174.80