#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 3.58 0.64 1.61 2.20 0.86 -4.78 119.74 123.85 1toq s LYS 2 Ca 0.00 -0.07 -0.18 0.00 -0.36 0.00 0.00 55.97 55.36 1toq s LYS 2 Cb 0.00 -3.84 -0.01 0.00 -1.51 0.00 0.00 37.83 32.47 1toq s LYS 2 CO 0.00 -0.79 1.25 0.00 -0.36 0.00 0.00 175.35 175.45 1toq s ALA 3 N 2.70 2.40 0.05 3.13 0.00 -1.26 -1.80 121.76 126.98 1toq s ALA 3 Ca 0.23 1.08 -0.10 0.00 0.00 0.00 0.00 51.96 53.18 1toq s ALA 3 Cb -0.14 -3.50 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1toq s ALA 3 CO 0.16 -1.47 0.21 -0.59 0.00 0.00 0.00 175.76 174.06 1toq s PHE 4 N -1.57 0.06 -0.31 0.00 -0.71 0.58 -4.89 117.98 111.14 1toq s PHE 4 Ca 0.79 -0.33 0.02 0.00 -1.04 0.00 0.00 56.93 56.37 1toq s PHE 4 Cb -0.33 -0.02 0.15 0.00 -1.21 0.00 0.00 43.02 41.61 1toq s PHE 4 CO 0.38 -0.47 0.38 0.34 -1.34 0.00 0.00 175.22 174.50 1toq s ASP 5 N -2.31 0.84 0.34 1.98 -1.08 -1.26 -1.37 116.67 113.82 1toq s ASP 5 Ca -0.02 -0.70 0.12 0.00 -0.52 0.00 0.00 52.55 51.43 1toq s ASP 5 Cb 0.01 0.86 0.61 0.00 -1.46 0.00 0.00 42.92 42.94 1toq s ASP 5 CO -0.06 -0.35 1.76 0.44 0.52 0.00 0.00 175.17 177.49 1toq h ASP 6 N 7.99 0.01 -4.62 -0.34 3.32 -1.51 -3.49 116.42 117.78 1toq h ASP 6 Ca -0.07 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.97 1toq h ASP 6 Cb 1.10 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1toq h ASP 6 CO 0.27 0.45 0.00 0.61 -1.72 0.00 0.00 179.24 178.85 1toq n GLY 7 N -0.25 -2.63 3.68 2.75 0.00 -1.26 -4.94 105.19 102.55 1toq n GLY 7 Ca -0.02 -1.86 -0.34 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.34 3.29 0.00 4.61 0.00 -1.26 -4.04 121.76 123.01 1toq s ALA 8 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.09 1toq s ALA 8 Cb 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 23.12 21.70 1toq s ALA 8 CO 0.00 0.62 0.00 1.19 0.00 0.00 0.00 175.76 177.57 1toq n PHE 9 N 1.81 0.00 0.65 0.00 3.01 0.76 -4.98 117.46 118.71 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 0.53 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 40.06 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 -1.07 4.37 -2.24 -0.29 -4.84 114.28 110.20 1toq n THR 10 Ca 0.00 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 1toq n THR 10 Cb 0.00 1.31 0.00 0.00 -2.10 0.00 0.00 70.33 69.54 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 0.90 -2.03 3.14 3.38 0.00 -1.19 -4.91 105.19 104.49 1toq n GLY 11 Ca 0.09 -1.18 -0.28 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.29 1.60 -0.20 -0.61 1.01 -1.26 -0.37 121.20 119.08 1toq s ILE 12 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 60.65 59.88 1toq s ILE 12 Cb 0.00 -1.40 -0.12 0.00 0.01 0.00 0.00 42.46 40.95 1toq s ILE 12 CO 0.00 0.46 -0.19 0.54 0.00 0.00 0.00 174.94 175.75 1toq n ARG 13 N 3.48 0.49 -3.70 2.79 1.74 -0.36 -4.81 116.66 116.28 1toq n ARG 13 Ca -0.20 0.12 -0.14 0.00 -0.77 0.00 0.00 57.85 56.87 1toq n ARG 13 Cb 0.52 -1.38 -0.09 0.00 -1.02 0.00 0.00 32.46 30.50 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 -2.39 0.62 -0.15 5.56 2.12 -1.02 -1.11 118.70 122.33 1toq s GLU 14 Ca -0.27 0.44 0.02 0.00 0.36 0.00 0.00 54.97 55.52 1toq s GLU 14 Cb 0.07 0.30 0.01 0.00 0.26 0.00 0.00 34.13 34.77 1toq s GLU 14 CO 0.44 -0.12 -0.21 0.42 -0.54 0.00 0.00 175.26 175.26 1toq s ILE 15 N -0.22 2.15 -0.22 -3.70 1.01 0.68 -0.55 121.20 120.35 1toq s ILE 15 Ca -0.04 -0.94 -0.04 0.00 0.00 0.00 0.00 60.65 59.63 1toq s ILE 15 Cb -0.03 -1.87 -0.01 0.00 0.01 0.00 0.00 42.46 40.55 1toq s ILE 15 CO 0.02 0.54 -0.02 0.20 0.00 0.00 0.00 174.94 175.68 1toq s ASN 16 N 0.91 4.46 0.11 3.58 0.01 0.54 0.43 114.94 125.00 1toq s ASN 16 Ca -0.04 -0.35 -0.02 0.00 -0.71 0.00 0.00 52.86 51.74 1toq s ASN 16 Cb -0.15 -1.77 -0.04 0.00 0.41 0.00 0.00 41.25 39.70 1toq s ASN 16 CO -0.04 -0.01 0.05 -1.48 -1.51 0.00 0.00 177.10 174.11 1toq s LEU 17 N 1.44 1.89 0.05 0.60 2.34 -0.46 -1.02 118.68 123.52 1toq s LEU 17 Ca 0.05 -1.14 0.08 0.00 0.06 0.00 0.00 54.13 53.19 1toq s LEU 17 Cb -0.14 0.33 -0.03 0.00 -0.56 0.00 0.00 46.19 45.79 1toq s LEU 17 CO -0.02 -0.71 -0.23 -0.44 -1.06 0.00 0.00 176.35 173.89 1toq s SER 18 N -3.01 2.80 0.16 1.48 0.01 0.02 -0.04 113.70 115.11 1toq s SER 18 Ca 0.20 -0.56 -0.11 0.00 1.31 0.00 0.00 55.95 56.79 1toq s SER 18 Cb 0.07 -0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.06 1toq s SER 18 CO -0.01 0.21 0.31 -0.72 0.41 0.00 0.00 173.24 173.44 1toq s TYR 19 N -0.80 0.25 -0.09 2.43 1.13 0.18 0.13 117.35 120.58 1toq s TYR 19 Ca 0.10 -0.62 0.01 0.00 -1.41 0.00 0.00 57.07 55.15 1toq s TYR 19 Cb -0.09 0.03 0.02 0.00 -1.10 0.00 0.00 41.96 40.82 1toq s TYR 19 CO 0.02 -0.72 -0.10 1.21 -2.51 0.00 0.00 175.55 173.45 1toq s ASN 20 N -2.93 1.98 0.21 -0.18 3.84 -0.92 0.19 114.94 117.13 1toq s ASN 20 Ca 0.13 -0.30 0.14 0.00 0.21 0.00 0.00 52.86 53.04 1toq s ASN 20 Cb 0.03 -0.83 0.75 0.00 -0.55 0.00 0.00 41.25 40.65 1toq s ASN 20 CO -0.03 -0.05 1.42 1.17 -2.79 0.00 0.00 177.10 176.83 1toq n LYS 21 N 4.42 0.09 -0.00 0.43 3.00 -1.26 -1.73 118.16 123.10 1toq n LYS 21 Ca -0.18 0.59 0.07 0.00 -0.00 0.00 0.00 58.31 58.79 1toq n LYS 21 Cb 0.51 -1.80 -0.09 0.00 0.00 0.00 0.00 35.03 33.65 1toq n LYS 21 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1toq n GLU 22 N -1.99 1.57 0.00 1.64 1.02 -1.26 -4.59 120.64 117.03 1toq n GLU 22 Ca -0.01 -0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 1toq n GLU 22 Cb 0.02 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.22 1toq n GLU 22 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1toq n THR 23 N -1.63 0.00 -2.88 2.62 -2.24 -0.71 -5.03 114.28 104.41 1toq n THR 23 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1toq n THR 23 Cb 0.28 -0.14 0.00 0.00 -2.10 0.00 0.00 70.33 68.37 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 -2.95 0.00 -1.76 6.98 0.00 -1.23 -4.60 120.51 116.94 1toq n ALA 24 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 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 -2.82 3.88 0.00 0.00 -1.09 -0.91 -2.16 121.20 118.10 1toq s ILE 25 Ca 0.00 1.79 0.00 0.00 -2.23 0.00 0.00 60.65 60.21 1toq s ILE 25 Cb 0.00 -4.10 0.00 0.00 -1.58 0.00 0.00 42.46 36.78 1toq s ILE 25 CO 0.00 0.35 0.00 0.61 -1.23 0.00 0.00 174.94 174.67 1toq n GLY 26 N 1.13 0.51 3.80 6.18 0.00 0.12 -0.60 105.19 116.33 1toq n GLY 26 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 0.23 6.16 -0.17 1.61 1.01 -1.25 -4.34 116.67 119.92 1toq s ASP 27 Ca 0.00 1.86 -0.07 0.00 0.71 0.00 0.00 52.55 55.06 1toq s ASP 27 Cb 0.00 -2.55 0.07 0.00 1.01 0.00 0.00 42.92 41.46 1toq s ASP 27 CO 0.00 -0.91 0.36 0.12 0.21 0.00 0.00 175.17 174.95 1toq s PHE 28 N -2.20 -0.62 -0.13 4.23 5.36 -0.56 -0.80 117.98 123.26 1toq s PHE 28 Ca 0.65 1.27 -0.10 0.00 -0.96 0.00 0.00 56.93 57.79 1toq s PHE 28 Cb -0.16 0.18 0.04 0.00 -0.34 0.00 0.00 43.02 42.74 1toq s PHE 28 CO 0.27 -0.40 0.33 -1.14 -1.46 0.00 0.00 175.22 172.81 1toq s GLN 29 N 2.27 0.36 -0.02 10.12 0.74 -0.19 -0.93 119.66 132.01 1toq s GLN 29 Ca -0.03 0.50 0.06 0.00 0.05 0.00 0.00 55.36 55.95 1toq s GLN 29 Cb -0.11 0.12 -0.01 0.00 1.10 0.00 0.00 33.01 34.11 1toq s GLN 29 CO -0.11 -0.07 -0.21 0.08 -0.55 0.00 0.00 175.29 174.42 1toq s VAL 30 N 0.45 1.70 -0.34 1.34 1.01 -1.26 -0.34 120.40 122.96 1toq s VAL 30 Ca -0.02 -0.91 -0.12 0.00 0.00 0.00 0.00 61.98 60.93 1toq s VAL 30 Cb -0.04 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 1toq s VAL 30 CO -0.02 0.48 0.21 -0.69 0.00 0.00 0.00 175.10 175.08 1toq s VAL 31 N -0.42 5.00 0.53 2.92 1.01 0.29 -0.71 120.40 129.01 1toq s VAL 31 Ca 0.06 -0.35 -0.02 0.00 0.00 0.00 0.00 61.98 61.67 1toq s VAL 31 Cb -0.09 -3.59 0.01 0.00 0.00 0.00 0.00 36.38 32.71 1toq s VAL 31 CO -0.00 -0.01 0.78 -0.31 0.00 0.00 0.00 175.10 175.55 1toq s TYR 32 N 1.67 3.12 -0.09 5.22 2.02 0.21 -1.23 117.35 128.28 1toq s TYR 32 Ca 0.05 0.30 -0.13 0.00 -0.37 0.00 0.00 57.07 56.92 1toq s TYR 32 Cb -0.17 -2.59 -0.05 0.00 -0.40 0.00 0.00 41.96 38.75 1toq s TYR 32 CO 0.09 -0.68 0.32 0.34 -1.57 0.00 0.00 175.55 174.05 1toq s ASP 33 N -4.31 6.58 -0.43 2.29 2.15 0.50 -0.63 116.67 122.82 1toq s ASP 33 Ca 0.53 0.69 0.02 0.00 0.43 0.00 0.00 52.55 54.21 1toq s ASP 33 Cb -0.10 -2.19 0.13 0.00 -0.30 0.00 0.00 42.92 40.46 1toq s ASP 33 CO 0.40 0.23 0.23 -0.22 -0.17 0.00 0.00 175.17 175.65 1toq s LEU 34 N -0.37 2.61 -1.33 -1.34 2.96 0.81 -1.14 118.68 120.89 1toq s LEU 34 Ca 0.19 -2.57 -0.04 0.00 -0.22 0.00 0.00 54.13 51.49 1toq s LEU 34 Cb -0.14 -1.01 0.02 0.00 0.50 0.00 0.00 46.19 45.56 1toq s LEU 34 CO 0.08 -0.27 0.92 0.59 -1.32 0.00 0.00 176.35 176.35 1toq n ASN 35 N 3.61 -2.97 0.00 3.68 4.13 -1.26 -1.97 115.26 120.48 1toq n ASN 35 Ca 0.08 -0.71 0.00 0.00 1.68 0.00 0.00 54.58 55.64 1toq n ASN 35 Cb 0.35 -4.51 0.00 0.00 -1.54 0.00 0.00 39.78 34.08 1toq n ASN 35 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1toq n GLY 36 N -1.54 2.08 3.53 7.41 0.00 -1.26 -5.04 105.19 110.36 1toq n GLY 36 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.52 4.22 0.55 1.61 0.01 -0.83 -5.11 113.70 111.63 1toq s SER 37 Ca 0.00 -0.29 -0.20 0.00 1.31 0.00 0.00 55.95 56.77 1toq s SER 37 Cb 0.00 -0.84 -0.05 0.00 0.21 0.00 0.00 66.02 65.33 1toq s SER 37 CO 0.00 0.26 1.18 -2.16 0.41 0.00 0.00 173.24 172.94 1toq s PRO 38 N -1.48 3.27 -0.13 12.44 0.04 -1.26 -0.13 135.00 147.75 1toq s PRO 38 Ca 0.16 1.77 -0.04 0.00 0.04 0.00 0.00 61.00 62.93 1toq s PRO 38 Cb -0.11 -2.07 0.05 0.00 0.04 0.00 0.00 34.50 32.42 1toq s PRO 38 CO 0.07 -0.95 0.08 -0.47 0.04 0.00 0.00 177.00 175.77 1toq s TYR 39 N -1.63 0.15 -0.48 0.56 6.14 0.19 -4.78 117.35 117.50 1toq s TYR 39 Ca 0.73 -0.14 -0.29 0.00 0.64 0.00 0.00 57.07 58.01 1toq s TYR 39 Cb -0.28 -0.63 0.02 0.00 0.42 0.00 0.00 41.96 41.49 1toq s TYR 39 CO 0.32 -0.42 1.34 0.08 0.64 0.00 0.00 175.55 177.51 1toq s VAL 40 N 2.15 3.95 0.88 3.14 1.01 -1.26 0.67 120.40 130.94 1toq s VAL 40 Ca 0.03 0.92 -0.12 0.00 0.00 0.00 0.00 61.98 62.82 1toq s VAL 40 Cb -0.15 -4.39 0.12 0.00 0.00 0.00 0.00 36.38 31.96 1toq s VAL 40 CO -0.07 -0.96 1.10 -0.83 0.00 0.00 0.00 175.10 174.33 1toq s GLY 41 N 3.67 1.61 0.32 4.51 0.00 0.11 -4.95 107.32 112.59 1toq s GLY 41 Ca 0.55 -0.15 -0.29 0.00 0.00 0.00 0.00 44.72 44.83 1toq s GLY 41 CO 0.30 0.34 1.22 1.62 0.00 0.00 0.00 173.10 176.59 1toq s GLN 42 N -5.01 4.44 0.04 2.90 0.74 -1.26 -4.69 119.66 116.82 1toq s GLN 42 Ca 0.63 2.05 -0.31 0.00 0.05 0.00 0.00 55.36 57.78 1toq s GLN 42 Cb -0.17 -3.09 -0.06 0.00 1.10 0.00 0.00 33.01 30.79 1toq s GLN 42 CO 0.56 -0.05 1.36 1.21 -0.55 0.00 0.00 175.29 177.82 1toq s ASN 43 N -0.66 6.88 -0.45 6.67 3.84 -1.26 -4.64 114.94 125.31 1toq s ASN 43 Ca 0.48 2.16 -0.06 0.00 0.21 0.00 0.00 52.86 55.64 1toq s ASN 43 Cb -0.36 -2.57 0.12 0.00 -0.55 0.00 0.00 41.25 37.88 1toq s ASN 43 CO 0.48 -0.66 0.29 -1.00 -2.79 0.00 0.00 177.10 173.42 1toq s HIS 44 N 1.81 3.50 0.28 0.43 3.76 -0.11 -5.02 115.29 119.95 1toq s HIS 44 Ca 0.63 -2.14 -0.01 0.00 -0.15 0.00 0.00 55.06 53.40 1toq s HIS 44 Cb -0.33 -3.38 -0.04 0.00 1.11 0.00 0.00 32.58 29.95 1toq s HIS 44 CO 0.28 -0.98 0.49 -1.54 -0.85 0.00 0.00 174.74 172.14 1toq s SER 45 N 2.24 6.36 0.57 1.40 1.04 -1.26 -1.50 113.70 122.55 1toq s SER 45 Ca 0.07 0.46 -0.16 0.00 0.48 0.00 0.00 55.95 56.81 1toq s SER 45 Cb -0.24 -2.04 -0.05 0.00 0.10 0.00 0.00 66.02 63.79 1toq s SER 45 CO -0.02 -0.18 1.04 -0.55 0.98 0.00 0.00 173.24 174.51 1toq s SER 46 N -3.58 5.98 0.42 7.02 0.15 -1.26 -4.80 113.70 117.64 1toq s SER 46 Ca 0.40 1.78 0.22 0.00 0.70 0.00 0.00 55.95 59.05 1toq s SER 46 Cb -0.10 -2.53 0.87 0.00 -1.71 0.00 0.00 66.02 62.55 1toq s SER 46 CO 0.32 -1.03 1.81 -0.26 1.20 0.00 0.00 173.24 175.28 1toq h PHE 47 N 0.61 0.00 -3.12 3.44 0.04 -1.12 -3.46 116.94 113.32 1toq h PHE 47 Ca -0.47 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.30 1toq h PHE 47 Cb 1.21 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.36 1toq h PHE 47 CO 0.59 0.27 0.00 0.44 -0.60 0.00 0.00 178.31 179.01 1toq n ILE 48 N -3.46 0.00 -3.74 -0.55 -5.35 -1.26 -5.03 119.36 99.96 1toq n ILE 48 Ca -0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1toq n ILE 48 Cb 0.44 -0.27 0.00 0.00 -1.74 0.00 0.00 39.64 38.07 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 -0.19 0.00 -0.68 7.28 7.64 -1.26 -4.98 113.62 121.43 1toq n SER 49 Ca 0.00 -0.86 0.00 0.00 1.01 0.00 0.00 58.87 59.02 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 0.00 0.76 3.56 0.23 0.00 -1.26 -5.08 105.19 103.40 1toq n GLY 50 Ca 0.00 -0.59 -0.26 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.97 2.56 -0.20 1.61 0.08 -1.26 -4.81 117.98 112.98 1toq s PHE 51 Ca 0.00 -0.25 -0.14 0.00 0.12 0.00 0.00 56.93 56.65 1toq s PHE 51 Cb 0.00 -1.21 -0.04 0.00 -0.57 0.00 0.00 43.02 41.20 1toq s PHE 51 CO 0.00 0.56 0.33 0.99 -0.10 0.00 0.00 175.22 177.00 1toq s THR 52 N -1.94 5.25 0.35 0.64 2.01 0.49 -4.78 115.64 117.66 1toq s THR 52 Ca 0.26 0.57 -0.23 0.00 0.31 0.00 0.00 61.69 62.61 1toq s THR 52 Cb -0.08 -3.67 -0.10 0.00 0.01 0.00 0.00 72.50 68.67 1toq s THR 52 CO 0.16 0.29 0.91 -2.16 -0.69 0.00 0.00 174.62 173.12 1toq s PRO 53 N 1.16 4.39 0.01 4.92 0.04 -1.26 -0.65 135.00 143.62 1toq s PRO 53 Ca 0.16 1.17 0.01 0.00 0.04 0.00 0.00 61.00 62.38 1toq s PRO 53 Cb -0.14 -2.58 -0.01 0.00 0.04 0.00 0.00 34.50 31.81 1toq s PRO 53 CO 0.07 0.18 -0.04 0.08 0.04 0.00 0.00 177.00 177.33 1toq s VAL 54 N -1.82 0.28 -0.21 -0.36 1.01 0.94 -4.96 120.40 115.27 1toq s VAL 54 Ca 0.54 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 62.06 1toq s VAL 54 Cb -0.15 -0.30 0.04 0.00 0.00 0.00 0.00 36.38 35.98 1toq s VAL 54 CO 0.19 -0.13 -0.12 -0.75 0.00 0.00 0.00 175.10 174.29 1toq s LYS 55 N -0.64 2.28 -0.60 2.72 2.20 -1.26 -1.35 119.74 123.08 1toq s LYS 55 Ca -0.04 -0.96 -0.10 0.00 -0.36 0.00 0.00 55.97 54.50 1toq s LYS 55 Cb -0.05 -2.56 0.15 0.00 -1.51 0.00 0.00 37.83 33.87 1toq s LYS 55 CO -0.00 -0.42 0.49 0.42 -0.36 0.00 0.00 175.35 175.48 1toq s ILE 56 N 1.30 4.58 -0.37 5.43 1.01 0.17 -4.98 121.20 128.34 1toq s ILE 56 Ca -0.02 -2.18 -0.17 0.00 0.00 0.00 0.00 60.65 58.29 1toq s ILE 56 Cb -0.16 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.36 1toq s ILE 56 CO -0.08 -0.87 0.45 -0.55 0.00 0.00 0.00 174.94 173.88 1toq s SER 57 N 2.23 6.24 0.08 3.58 0.15 -1.26 -0.23 113.70 124.49 1toq s SER 57 Ca 0.11 -0.27 -0.16 0.00 0.70 0.00 0.00 55.95 56.33 1toq s SER 57 Cb -0.21 -2.23 -0.06 0.00 -1.71 0.00 0.00 66.02 61.80 1toq s SER 57 CO -0.03 -0.47 0.51 -0.76 1.20 0.00 0.00 173.24 173.69 1toq s LEU 58 N 2.22 4.44 -1.26 3.45 1.02 -0.27 -5.01 118.68 123.28 1toq s LEU 58 Ca 0.15 1.09 -0.14 0.00 0.02 0.00 0.00 54.13 55.24 1toq s LEU 58 Cb -0.16 -2.94 0.13 0.00 0.02 0.00 0.00 46.19 43.25 1toq s LEU 58 CO 0.13 0.23 1.62 -0.67 0.02 0.00 0.00 176.35 177.68 1toq n ASP 59 N 1.39 5.06 -4.74 2.29 2.03 -1.26 -4.86 116.55 116.46 1toq n ASP 59 Ca -0.10 -2.97 -0.41 0.00 0.52 0.00 0.00 54.79 51.84 1toq n ASP 59 Cb 0.52 -1.62 -0.05 0.00 -0.72 0.00 0.00 41.12 39.25 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 2.28 3.90 -1.41 -0.67 5.36 -1.26 0.52 117.98 126.69 1toq s PHE 60 Ca 0.46 1.86 0.20 0.00 -0.96 0.00 0.00 56.93 58.48 1toq s PHE 60 Cb 0.01 -3.01 0.69 0.00 -0.34 0.00 0.00 43.02 40.37 1toq s PHE 60 CO 0.02 0.33 1.59 -0.35 -1.46 0.00 0.00 175.22 175.35 1toq n PRO 61 N 2.15 3.36 -0.06 10.12 -0.04 -1.26 -4.90 135.00 144.37 1toq n PRO 61 Ca 0.00 -2.80 -0.03 0.00 -0.04 0.00 0.00 63.50 60.64 1toq n PRO 61 Cb 0.48 -1.77 0.21 0.00 -0.04 0.00 0.00 33.50 32.39 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 4.10 0.63 -3.16 3.54 0.02 -1.70 -3.42 113.55 113.56 1toq h SER 62 Ca 0.00 -0.15 -0.67 0.00 -0.84 0.00 0.00 61.79 60.14 1toq h SER 62 Cb 1.28 -0.17 -0.14 0.00 0.14 0.00 0.00 62.40 63.51 1toq h SER 62 CO 0.14 0.72 -0.58 -0.70 -1.14 0.00 0.00 176.83 175.28 1toq s GLU 63 N -4.92 3.28 0.05 3.45 2.12 0.18 -4.95 118.70 117.93 1toq s GLU 63 Ca -0.08 -0.34 -0.19 0.00 0.36 0.00 0.00 54.97 54.71 1toq s GLU 63 Cb 0.15 -2.96 0.04 0.00 0.26 0.00 0.00 34.13 31.62 1toq s GLU 63 CO 0.79 0.63 0.45 1.52 -0.54 0.00 0.00 175.26 178.11 1toq s TYR 64 N -0.65 -0.32 0.27 5.30 -0.85 -1.26 -4.35 117.35 115.49 1toq s TYR 64 Ca 0.11 0.28 -0.30 0.00 -0.52 0.00 0.00 57.07 56.65 1toq s TYR 64 Cb -0.12 0.27 -0.10 0.00 0.38 0.00 0.00 41.96 42.39 1toq s TYR 64 CO 0.02 -0.61 1.40 0.42 -1.52 0.00 0.00 175.55 175.27 1toq s ILE 65 N -2.58 2.67 0.00 -3.49 1.01 -1.26 -2.34 121.20 115.21 1toq s ILE 65 Ca -0.05 0.59 0.00 0.00 0.00 0.00 0.00 60.65 61.20 1toq s ILE 65 Cb -0.01 -3.38 0.00 0.00 0.01 0.00 0.00 42.46 39.09 1toq s ILE 65 CO -0.03 0.11 0.00 0.35 0.00 0.00 0.00 174.94 175.37 1toq n THR 66 N 1.91 0.00 -3.66 2.92 -2.24 0.24 -4.74 114.28 108.71 1toq n THR 66 Ca 0.05 -0.36 -0.14 0.00 -2.27 0.00 0.00 64.05 61.33 1toq n THR 66 Cb 0.41 0.92 -0.08 0.00 -2.10 0.00 0.00 70.33 69.48 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 -0.97 0.74 -0.07 -0.78 2.12 -0.77 -0.96 118.70 118.02 1toq s GLU 67 Ca 0.00 0.88 0.03 0.00 0.36 0.00 0.00 54.97 56.24 1toq s GLU 67 Cb 0.00 0.36 0.01 0.00 0.26 0.00 0.00 34.13 34.76 1toq s GLU 67 CO 0.00 -0.09 -0.15 0.08 -0.54 0.00 0.00 175.26 174.56 1toq s VAL 68 N 0.35 1.33 0.23 3.70 1.01 -0.89 -0.89 120.40 125.24 1toq s VAL 68 Ca -0.00 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 61.26 1toq s VAL 68 Cb -0.04 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 35.14 1toq s VAL 68 CO 0.01 0.40 0.42 -0.94 0.00 0.00 0.00 175.10 174.99 1toq s SER 69 N 0.54 -0.06 0.00 3.32 1.04 -0.47 0.68 113.70 118.74 1toq s SER 69 Ca -0.14 -0.95 0.00 0.00 0.48 0.00 0.00 55.95 55.34 1toq s SER 69 Cb -0.16 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.51 1toq s SER 69 CO 0.05 -1.08 0.00 0.61 0.98 0.00 0.00 173.24 173.80 1toq n GLY 70 N -0.35 -0.74 3.16 7.32 0.00 -0.51 0.39 105.19 114.46 1toq n GLY 70 Ca -0.02 -0.79 -0.22 0.00 0.00 0.00 0.00 46.02 44.99 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 -3.00 1.36 -0.05 1.61 1.51 -0.78 -0.67 117.35 117.33 1toq s TYR 71 Ca 0.00 -0.33 0.01 0.00 -1.01 0.00 0.00 57.07 55.75 1toq s TYR 71 Cb 0.00 -0.83 -0.03 0.00 -0.11 0.00 0.00 41.96 40.99 1toq s TYR 71 CO 0.00 0.03 -0.06 0.95 -1.11 0.00 0.00 175.55 175.35 1toq s THR 72 N -0.69 3.72 0.23 -0.71 -4.23 0.65 -0.31 115.64 114.30 1toq s THR 72 Ca 0.04 -0.54 -0.22 0.00 -1.18 0.00 0.00 61.69 59.78 1toq s THR 72 Cb -0.07 -2.55 0.04 0.00 1.34 0.00 0.00 72.50 71.26 1toq s THR 72 CO 0.01 0.55 0.74 -0.83 -0.54 0.00 0.00 174.62 174.54 1toq s GLY 73 N -0.97 -0.22 -0.24 3.99 0.00 0.82 -1.10 107.32 109.61 1toq s GLY 73 Ca 0.14 -0.06 -0.29 0.00 0.00 0.00 0.00 44.72 44.52 1toq s GLY 73 CO 0.03 -0.02 1.02 0.21 0.00 0.00 0.00 173.10 174.35 1toq s ASN 74 N -2.88 7.07 -0.19 1.64 3.84 -1.26 -0.38 114.94 122.79 1toq s ASN 74 Ca 0.09 1.33 -0.01 0.00 0.21 0.00 0.00 52.86 54.49 1toq s ASN 74 Cb -0.04 -2.53 0.05 0.00 -0.55 0.00 0.00 41.25 38.17 1toq s ASN 74 CO 0.02 -0.67 -0.04 -0.69 -2.79 0.00 0.00 177.10 172.93 1toq s VAL 75 N 3.19 1.12 -1.51 -5.21 1.01 0.21 -4.81 120.40 114.41 1toq s VAL 75 Ca 0.43 -0.77 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 1toq s VAL 75 Cb -0.15 -1.37 0.02 0.00 0.00 0.00 0.00 36.38 34.87 1toq s VAL 75 CO 0.07 0.01 0.67 -1.20 0.00 0.00 0.00 175.10 174.65 1toq n SER 76 N 4.85 -5.84 0.00 3.32 7.64 -1.26 -1.79 113.62 120.55 1toq n SER 76 Ca -0.11 -0.34 0.00 0.00 1.01 0.00 0.00 58.87 59.43 1toq n SER 76 Cb 0.47 -4.71 0.00 0.00 -1.01 0.00 0.00 64.21 58.96 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 -1.54 1.40 3.72 0.23 0.00 -1.26 -5.05 105.19 102.69 1toq n GLY 77 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.34 3.25 -0.24 1.61 2.02 -0.74 -5.06 117.35 115.85 1toq s TYR 78 Ca 0.00 0.26 -0.27 0.00 -0.37 0.00 0.00 57.07 56.69 1toq s TYR 78 Cb 0.00 -1.82 0.00 0.00 -0.40 0.00 0.00 41.96 39.75 1toq s TYR 78 CO 0.00 0.52 0.94 0.08 -1.57 0.00 0.00 175.55 175.52 1toq s VAL 79 N -0.92 4.75 0.35 0.71 1.01 -1.26 -0.62 120.40 124.42 1toq s VAL 79 Ca 0.14 1.80 0.03 0.00 0.00 0.00 0.00 61.98 63.96 1toq s VAL 79 Cb -0.11 -4.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 1toq s VAL 79 CO 0.03 -0.14 0.11 0.68 0.00 0.00 0.00 175.10 175.78 1toq s VAL 80 N 3.05 0.70 -0.55 2.92 -7.23 0.49 -4.78 120.40 114.99 1toq s VAL 80 Ca 0.40 -2.00 -0.23 0.00 -1.81 0.00 0.00 61.98 58.34 1toq s VAL 80 Cb -0.15 -2.53 0.05 0.00 0.56 0.00 0.00 36.38 34.31 1toq s VAL 80 CO 0.07 0.00 0.88 -0.69 -0.31 0.00 0.00 175.10 175.05 1toq s VAL 81 N -3.37 4.47 -0.19 1.32 1.01 -0.05 -0.13 120.40 123.47 1toq s VAL 81 Ca 0.31 0.07 0.16 0.00 0.00 0.00 0.00 61.98 62.52 1toq s VAL 81 Cb 0.05 -4.51 0.07 0.00 0.00 0.00 0.00 36.38 31.99 1toq s VAL 81 CO 0.15 -1.09 1.37 0.03 0.00 0.00 0.00 175.10 175.56 1toq h ARG 82 N 9.28 0.00 -2.54 2.72 3.08 -0.95 -2.41 114.38 123.56 1toq h ARG 82 Ca -0.27 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 59.69 1toq h ARG 82 Cb 1.08 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 30.93 1toq h ARG 82 CO 1.07 0.39 -0.06 0.45 -1.07 0.00 0.00 179.97 180.76 1toq s SER 83 N -6.30 -0.42 0.03 7.04 0.15 -1.08 -1.63 113.70 111.50 1toq s SER 83 Ca 0.03 0.41 0.01 0.00 0.70 0.00 0.00 55.95 57.11 1toq s SER 83 Cb 0.07 0.44 -0.02 0.00 -1.71 0.00 0.00 66.02 64.81 1toq s SER 83 CO 0.75 -0.51 -0.06 -0.76 1.20 0.00 0.00 173.24 173.86 1toq s LEU 84 N -1.20 2.24 -0.03 3.45 1.02 -0.85 -1.86 118.68 121.45 1toq s LEU 84 Ca -0.12 -0.51 -0.01 0.00 0.02 0.00 0.00 54.13 53.51 1toq s LEU 84 Cb -0.03 -0.06 0.02 0.00 0.02 0.00 0.00 46.19 46.14 1toq s LEU 84 CO 0.07 -0.23 0.06 -0.89 0.02 0.00 0.00 176.35 175.37 1toq s THR 85 N -1.36 -0.03 -0.24 5.49 2.01 0.16 -1.04 115.64 120.64 1toq s THR 85 Ca -0.12 0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.01 1toq s THR 85 Cb -0.10 -0.10 0.04 0.00 0.01 0.00 0.00 72.50 72.36 1toq s THR 85 CO -0.00 0.04 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.48 1toq s PHE 86 N 0.59 3.10 -0.23 4.92 0.40 0.11 -1.37 117.98 125.50 1toq s PHE 86 Ca -0.05 -2.03 -0.09 0.00 -0.60 0.00 0.00 56.93 54.16 1toq s PHE 86 Cb -0.07 -1.95 -0.05 0.00 0.51 0.00 0.00 43.02 41.47 1toq s PHE 86 CO -0.02 -0.84 0.13 0.21 0.70 0.00 0.00 175.22 175.39 1toq s LYS 87 N 1.18 4.00 0.39 0.44 2.20 -0.07 -0.25 119.74 127.64 1toq s LYS 87 Ca -0.04 -0.31 0.05 0.00 -0.36 0.00 0.00 55.97 55.31 1toq s LYS 87 Cb -0.18 -3.44 0.05 0.00 -1.51 0.00 0.00 37.83 32.76 1toq s LYS 87 CO -0.07 0.08 0.41 0.25 -0.36 0.00 0.00 175.35 175.66 1toq n THR 88 N 4.19 0.00 1.60 3.43 -2.24 -0.04 -0.59 114.28 120.63 1toq n THR 88 Ca -0.15 -1.41 0.15 0.00 -2.27 0.00 0.00 64.05 60.36 1toq n THR 88 Cb 0.52 -0.42 0.80 0.00 -2.10 0.00 0.00 70.33 69.13 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 -2.21 0.08 -0.05 3.42 6.94 -0.99 -3.80 115.26 118.66 1toq n ASN 89 Ca 0.05 -0.48 -0.06 0.00 -0.02 0.00 0.00 54.58 54.07 1toq n ASN 89 Cb 0.42 -0.17 -0.07 0.00 -2.36 0.00 0.00 39.78 37.61 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 -1.13 1.78 -3.94 -3.83 5.02 -1.26 -5.06 118.16 109.73 1toq n LYS 90 Ca 0.17 0.02 -0.09 0.00 -2.02 0.00 0.00 58.31 56.39 1toq n LYS 90 Cb 0.21 -1.24 -0.03 0.00 -0.02 0.00 0.00 35.03 33.95 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 -2.23 1.79 -0.13 1.97 2.20 -1.25 -5.16 119.74 116.94 1toq s LYS 91 Ca -0.08 -1.31 0.02 0.00 -0.36 0.00 0.00 55.97 54.24 1toq s LYS 91 Cb 0.03 0.53 -0.00 0.00 -1.51 0.00 0.00 37.83 36.88 1toq s LYS 91 CO 0.35 -0.79 -0.19 0.99 -0.36 0.00 0.00 175.35 175.35 1toq s THR 92 N -3.52 2.40 -0.18 3.43 2.01 -1.26 -0.86 115.64 117.66 1toq s THR 92 Ca 0.20 -0.88 -0.01 0.00 0.31 0.00 0.00 61.69 61.31 1toq s THR 92 Cb -0.03 -1.97 0.00 0.00 0.01 0.00 0.00 72.50 70.52 1toq s THR 92 CO 0.11 0.54 -0.14 -0.31 -0.69 0.00 0.00 174.62 174.13 1toq s TYR 93 N 0.54 2.82 0.00 4.92 2.02 0.66 -4.99 117.35 123.32 1toq s TYR 93 Ca -0.12 -1.21 0.00 0.00 -0.37 0.00 0.00 57.07 55.37 1toq s TYR 93 Cb -0.16 -1.95 0.00 0.00 -0.40 0.00 0.00 41.96 39.44 1toq s TYR 93 CO 0.04 -0.60 0.00 0.41 -1.57 0.00 0.00 175.55 173.83 1toq n GLY 94 N 4.43 -0.80 3.77 0.71 0.00 -1.26 0.04 105.19 112.07 1toq n GLY 94 Ca -0.19 -2.16 -0.39 0.00 0.00 0.00 0.00 46.02 43.28 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 0.00 3.89 -0.12 1.61 0.04 -1.26 -4.97 135.00 134.18 1toq s PRO 95 Ca 0.00 2.00 -0.04 0.00 0.04 0.00 0.00 61.00 63.01 1toq s PRO 95 Cb 0.00 -2.64 -0.03 0.00 0.04 0.00 0.00 34.50 31.87 1toq s PRO 95 CO 0.00 -0.51 0.01 0.71 0.04 0.00 0.00 177.00 177.25 1toq s TYR 96 N -1.36 3.15 0.00 0.56 2.02 -0.20 -4.97 117.35 116.56 1toq s TYR 96 Ca 0.59 0.05 0.00 0.00 -0.37 0.00 0.00 57.07 57.34 1toq s TYR 96 Cb -0.34 -1.90 0.00 0.00 -0.40 0.00 0.00 41.96 39.32 1toq s TYR 96 CO 0.43 0.28 0.00 0.41 -1.57 0.00 0.00 175.55 175.10 1toq n GLY 97 N 2.79 -1.79 3.63 0.71 0.00 -1.26 -2.00 105.19 107.27 1toq n GLY 97 Ca -0.18 -2.03 -0.39 0.00 0.00 0.00 0.00 46.02 43.42 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 5.14 -1.33 1.61 1.01 -0.65 -4.90 120.40 121.29 1toq s VAL 98 Ca 0.00 0.73 -0.10 0.00 0.00 0.00 0.00 61.98 62.61 1toq s VAL 98 Cb 0.00 -3.76 0.13 0.00 0.00 0.00 0.00 36.38 32.75 1toq s VAL 98 CO 0.00 0.16 2.06 0.35 0.00 0.00 0.00 175.10 177.67 1toq n THR 99 N 4.89 4.33 -4.08 3.92 -2.24 -1.26 -3.79 114.28 116.05 1toq n THR 99 Ca -0.07 -4.07 -0.11 0.00 -2.27 0.00 0.00 64.05 57.53 1toq n THR 99 Cb 0.50 -2.37 -0.11 0.00 -2.10 0.00 0.00 70.33 66.26 1toq n THR 99 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1toq s SER 100 N 1.22 0.75 0.00 3.42 0.01 -1.26 -5.06 113.70 112.78 1toq s SER 100 Ca 0.44 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 56.97 1toq s SER 100 Cb 0.12 0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.44 1toq s SER 100 CO -0.03 -0.36 0.00 0.61 0.41 0.00 0.00 173.24 173.87 1toq n GLY 101 N 0.87 0.72 3.51 3.44 0.00 -1.26 -4.51 105.19 107.96 1toq n GLY 101 Ca -0.19 -1.70 -0.36 0.00 0.00 0.00 0.00 46.02 43.78 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 4.40 0.73 2.61 -1.32 -0.26 -4.90 115.64 116.90 1toq s THR 102 Ca 0.00 -0.15 -0.11 0.00 -1.21 0.00 0.00 61.69 60.22 1toq s THR 102 Cb 0.00 -3.02 0.03 0.00 -1.51 0.00 0.00 72.50 68.00 1toq s THR 102 CO 0.00 0.39 1.07 -2.16 -2.21 0.00 0.00 174.62 171.72 1toq s PRO 103 N 1.09 2.62 0.07 7.08 0.04 -1.26 -0.25 135.00 144.39 1toq s PRO 103 Ca 0.04 0.92 -0.10 0.00 0.04 0.00 0.00 61.00 61.90 1toq s PRO 103 Cb -0.14 -1.96 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1toq s PRO 103 CO 0.03 -1.32 0.22 -0.59 0.04 0.00 0.00 177.00 175.38 1toq s PHE 104 N -3.04 0.08 -0.15 0.56 -0.12 0.16 -4.87 117.98 110.59 1toq s PHE 104 Ca 0.59 -0.41 -0.20 0.00 -0.05 0.00 0.00 56.93 56.86 1toq s PHE 104 Cb -0.15 -0.02 0.05 0.00 -0.63 0.00 0.00 43.02 42.28 1toq s PHE 104 CO 0.55 -0.52 0.53 0.54 -0.05 0.00 0.00 175.22 176.27 1toq s ASN 105 N -2.56 -0.52 -0.45 1.98 4.22 -1.26 -1.42 114.94 114.92 1toq s ASN 105 Ca 0.01 0.89 0.03 0.00 -2.14 0.00 0.00 52.86 51.64 1toq s ASN 105 Cb 0.02 0.90 0.13 0.00 1.28 0.00 0.00 41.25 43.59 1toq s ASN 105 CO -0.08 -0.29 0.23 -0.22 -2.04 0.00 0.00 177.10 174.70 1toq s LEU 106 N -0.17 3.16 0.14 3.54 2.96 0.21 -4.99 118.68 123.54 1toq s LEU 106 Ca -0.04 -2.66 -0.27 0.00 -0.22 0.00 0.00 54.13 50.95 1toq s LEU 106 Cb -0.03 -1.21 -0.07 0.00 0.50 0.00 0.00 46.19 45.38 1toq s LEU 106 CO 0.03 -0.27 0.83 -2.16 -1.32 0.00 0.00 176.35 173.46 1toq s PRO 107 N 0.27 4.63 -0.26 0.98 0.04 -1.26 -2.09 135.00 137.30 1toq s PRO 107 Ca 0.17 1.24 -0.03 0.00 0.04 0.00 0.00 61.00 62.42 1toq s PRO 107 Cb -0.24 -3.31 0.02 0.00 0.04 0.00 0.00 34.50 31.01 1toq s PRO 107 CO -0.01 0.44 -0.01 0.42 0.04 0.00 0.00 177.00 177.87 1toq s ILE 108 N -0.72 3.25 0.01 0.56 1.01 -0.13 -4.98 121.20 120.19 1toq s ILE 108 Ca 0.39 -0.91 -0.18 0.00 0.00 0.00 0.00 60.65 59.96 1toq s ILE 108 Cb -0.23 -2.66 -0.33 0.00 0.01 0.00 0.00 42.46 39.25 1toq s ILE 108 CO 0.27 0.16 0.98 -0.33 0.00 0.00 0.00 174.94 176.03 1toq h GLU 109 N 8.09 0.48 -2.90 2.79 5.08 -1.97 -3.46 114.58 122.69 1toq h GLU 109 Ca -0.32 -0.78 -0.21 0.00 -1.00 0.00 0.00 59.36 57.05 1toq h GLU 109 Cb 1.11 0.28 -0.32 0.00 0.50 0.00 0.00 28.75 30.33 1toq h GLU 109 CO 0.58 1.37 -0.52 1.21 -1.00 0.00 0.00 179.01 180.65 1toq s ASN 110 N -7.36 0.23 0.00 1.42 2.47 -1.26 -5.11 114.94 105.33 1toq s ASN 110 Ca -0.11 0.58 0.00 0.00 0.42 0.00 0.00 52.86 53.75 1toq s ASN 110 Cb 0.03 0.63 0.00 0.00 -1.45 0.00 0.00 41.25 40.46 1toq s ASN 110 CO 0.91 -0.22 0.00 0.61 -3.72 0.00 0.00 177.10 174.67 1toq n GLY 111 N 5.11 0.94 3.13 1.21 0.00 -1.26 -4.99 105.19 109.33 1toq n GLY 111 Ca -0.10 -2.05 -0.11 0.00 0.00 0.00 0.00 46.02 43.76 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 1.48 -0.19 0.99 1.02 0.32 -4.95 118.68 117.34 1toq s LEU 112 Ca 0.00 -0.23 -0.21 0.00 0.02 0.00 0.00 54.13 53.71 1toq s LEU 112 Cb 0.00 0.76 -0.02 0.00 0.02 0.00 0.00 46.19 46.95 1toq s LEU 112 CO 0.00 -0.41 0.65 -0.63 0.02 0.00 0.00 176.35 175.97 1toq s ILE 113 N -1.63 5.01 -0.03 -0.59 1.01 -1.26 -0.24 121.20 123.46 1toq s ILE 113 Ca -0.13 1.23 0.05 0.00 0.00 0.00 0.00 60.65 61.80 1toq s ILE 113 Cb -0.06 -3.96 0.08 0.00 0.01 0.00 0.00 42.46 38.52 1toq s ILE 113 CO 0.01 0.11 0.94 1.33 0.00 0.00 0.00 174.94 177.33 1toq n VAL 114 N 4.67 0.91 0.00 2.92 0.24 0.11 -4.55 118.33 122.63 1toq n VAL 114 Ca -0.01 -1.01 0.00 0.00 -2.04 0.00 0.00 64.34 61.28 1toq n VAL 114 Cb 0.50 0.41 0.00 0.00 -1.47 0.00 0.00 33.84 33.27 1toq n VAL 114 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1toq n GLY 115 N -0.59 0.98 3.21 7.63 0.00 -1.25 -0.17 105.19 115.00 1toq n GLY 115 Ca 0.04 -0.74 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 1toq n GLY 115 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1toq s PHE 116 N -2.00 1.09 0.11 1.61 0.08 -1.26 -1.60 117.98 116.01 1toq s PHE 116 Ca 0.00 -0.80 -0.11 0.00 0.12 0.00 0.00 56.93 56.13 1toq s PHE 116 Cb 0.00 -0.58 0.01 0.00 -0.57 0.00 0.00 43.02 41.87 1toq s PHE 116 CO 0.00 -0.02 0.27 -1.59 -0.10 0.00 0.00 175.22 173.78 1toq s LYS 117 N -3.65 0.96 0.00 0.44 -2.85 -0.91 -1.08 119.74 112.65 1toq s LYS 117 Ca 0.13 -0.90 0.00 0.00 -1.00 0.00 0.00 55.97 54.20 1toq s LYS 117 Cb 0.03 0.39 0.00 0.00 -2.06 0.00 0.00 37.83 36.19 1toq s LYS 117 CO -0.02 -0.34 0.00 0.41 0.10 0.00 0.00 175.35 175.51 1toq n GLY 118 N -0.13 -0.78 3.64 0.59 0.00 -0.47 -0.07 105.19 107.97 1toq n GLY 118 Ca -0.14 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.66 -0.06 1.61 0.15 -1.00 -0.31 113.70 109.44 1toq s SER 119 Ca 0.00 1.19 0.02 0.00 0.70 0.00 0.00 55.95 57.86 1toq s SER 119 Cb 0.00 1.23 0.01 0.00 -1.71 0.00 0.00 66.02 65.55 1toq s SER 119 CO 0.00 -0.20 -0.10 -0.63 1.20 0.00 0.00 173.24 173.51 1toq s ILE 120 N 0.75 0.97 0.00 6.45 1.01 -0.74 0.29 121.20 129.94 1toq s ILE 120 Ca -0.03 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.23 1toq s ILE 120 Cb -0.05 -0.90 0.00 0.00 0.01 0.00 0.00 42.46 41.52 1toq s ILE 120 CO -0.08 0.32 0.00 0.61 0.00 0.00 0.00 174.94 175.78 1toq n GLY 121 N 3.80 1.49 0.07 6.18 0.00 -1.26 -0.10 105.19 115.37 1toq n GLY 121 Ca -0.23 -0.03 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 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 0.09 -2.32 1.61 -1.99 -1.95 0.48 116.97 112.89 1toq h TYR 122 Ca 0.00 -0.02 -0.54 0.00 2.00 0.00 0.00 58.73 60.16 1toq h TYR 122 Cb 0.00 -0.02 -0.13 0.00 2.00 0.00 0.00 36.73 38.58 1toq h TYR 122 CO 0.00 0.49 -0.61 -1.58 -0.00 0.00 0.00 178.16 176.46 1toq s TRP 123 N -4.49 2.21 -0.05 4.88 0.51 -1.26 -4.49 118.94 116.26 1toq s TRP 123 Ca -0.15 -0.82 -0.30 0.00 -2.12 0.00 0.00 56.10 52.71 1toq s TRP 123 Cb 0.03 -1.50 -0.07 0.00 -0.81 0.00 0.00 33.47 31.12 1toq s TRP 123 CO 0.69 0.21 1.89 1.41 -0.51 0.00 0.00 176.95 180.64 1toq s MET 124 N -3.81 3.97 0.06 4.98 -2.45 0.23 -4.49 119.30 117.79 1toq s MET 124 Ca 0.36 2.33 -0.15 0.00 -1.25 0.00 0.00 55.69 56.98 1toq s MET 124 Cb 0.09 -4.14 -0.28 0.00 1.25 0.00 0.00 34.83 31.75 1toq s MET 124 CO 0.17 -1.13 1.12 -0.44 1.05 0.00 0.00 175.02 175.79 1toq h ASP 125 N 10.99 0.89 -4.91 1.11 3.32 -0.47 -0.09 116.42 127.27 1toq h ASP 125 Ca -0.44 -0.80 0.15 0.00 0.02 0.00 0.00 57.03 55.95 1toq h ASP 125 Cb 1.21 -0.28 -0.13 0.00 0.22 0.00 0.00 39.33 40.36 1toq h ASP 125 CO 0.95 1.60 0.52 -0.72 -1.72 0.00 0.00 179.24 179.87 1toq s TYR 126 N -3.06 -0.25 -0.00 4.55 -0.85 -1.22 -4.22 117.35 112.30 1toq s TYR 126 Ca -0.10 0.06 -0.17 0.00 -0.52 0.00 0.00 57.07 56.34 1toq s TYR 126 Cb 0.06 0.57 0.03 0.00 0.38 0.00 0.00 41.96 43.00 1toq s TYR 126 CO 0.93 -0.61 0.38 -0.59 -1.52 0.00 0.00 175.55 174.14 1toq s PHE 127 N -3.11 -0.25 0.16 -3.49 -0.71 -1.26 -2.36 117.98 106.96 1toq s PHE 127 Ca 0.08 0.34 0.05 0.00 -1.04 0.00 0.00 56.93 56.36 1toq s PHE 127 Cb -0.01 0.16 -0.04 0.00 -1.21 0.00 0.00 43.02 41.92 1toq s PHE 127 CO -0.05 -0.47 -0.11 -1.12 -1.34 0.00 0.00 175.22 172.13 1toq s SER 128 N -1.53 2.02 0.04 1.98 0.01 0.90 -4.96 113.70 112.16 1toq s SER 128 Ca -0.11 -1.01 0.05 0.00 1.31 0.00 0.00 55.95 56.19 1toq s SER 128 Cb -0.03 -0.05 -0.02 0.00 0.21 0.00 0.00 66.02 66.13 1toq s SER 128 CO 0.03 -0.28 -0.14 -0.04 0.41 0.00 0.00 173.24 173.22 1toq s MET 129 N -3.69 0.91 -0.16 12.44 -1.94 -1.26 -2.14 119.30 123.46 1toq s MET 129 Ca 0.18 -0.75 -0.18 0.00 -1.71 0.00 0.00 55.69 53.24 1toq s MET 129 Cb 0.01 -0.91 -0.04 0.00 2.01 0.00 0.00 34.83 35.90 1toq s MET 129 CO 0.02 0.23 0.47 0.71 -0.01 0.00 0.00 175.02 176.44 1toq s TYR 130 N -0.85 3.43 -0.00 -0.03 1.51 -0.63 -5.01 117.35 115.77 1toq s TYR 130 Ca 0.01 0.79 0.06 0.00 -1.01 0.00 0.00 57.07 56.91 1toq s TYR 130 Cb -0.08 -2.58 -0.03 0.00 -0.11 0.00 0.00 41.96 39.16 1toq s TYR 130 CO 0.01 0.04 -0.17 -0.51 -1.11 0.00 0.00 175.55 173.81 1toq s LEU 131 N 1.11 2.64 0.33 -1.29 1.02 -1.26 -0.71 118.68 120.52 1toq s LEU 131 Ca 0.24 -0.32 -0.11 0.00 0.02 0.00 0.00 54.13 53.95 1toq s LEU 131 Cb -0.15 -1.54 0.02 0.00 0.02 0.00 0.00 46.19 44.55 1toq s LEU 131 CO 0.09 0.30 0.62 -0.55 0.02 0.00 0.00 176.35 176.83 1toq s SER 132 N -1.08 0.25 0.00 2.29 0.15 0.66 -4.93 113.70 111.04 1toq s SER 132 Ca 0.13 -1.15 0.26 0.00 0.70 0.00 0.00 55.95 55.89 1toq s SER 132 Cb -0.11 0.73 0.59 0.00 -1.71 0.00 0.00 66.02 65.53 1toq s SER 132 CO 0.03 -1.42 1.49 0.18 1.20 0.00 0.00 173.24 174.72