#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nyc s SER 0 N 0.00 4.81 0.35 1.61 0.01 -1.26 -5.03 113.70 114.19 1nyc s SER 0 Ca 0.00 2.21 -0.22 0.00 1.31 0.00 0.00 55.95 59.25 1nyc s SER 0 Cb 0.00 -2.58 -0.10 0.00 0.21 0.00 0.00 66.02 63.55 1nyc s SER 0 CO 0.00 -1.84 0.89 -0.04 0.41 0.00 0.00 173.24 172.66 1nyc s MET 1 N -3.85 4.33 0.47 12.44 1.00 -1.26 -5.09 119.30 127.35 1nyc s MET 1 Ca 0.72 1.11 0.05 0.00 0.00 0.00 0.00 55.69 57.57 1nyc s MET 1 Cb -0.26 -2.52 0.02 0.00 0.00 0.00 0.00 34.83 32.08 1nyc s MET 1 CO 0.41 0.15 0.65 0.71 0.00 0.00 0.00 175.02 176.94 1nyc s TYR 2 N -1.88 2.86 -0.00 -0.03 4.12 -1.26 -5.02 117.35 116.13 1nyc s TYR 2 Ca 0.55 -0.21 -0.16 0.00 0.02 0.00 0.00 57.07 57.27 1nyc s TYR 2 Cb -0.13 -2.51 -0.06 0.00 -1.52 0.00 0.00 41.96 37.74 1nyc s TYR 2 CO 0.18 -0.58 0.43 1.14 0.02 0.00 0.00 175.55 176.74 1nyc s GLN 3 N -4.52 3.99 -0.18 -0.62 -2.07 -0.80 -4.95 119.66 110.51 1nyc s GLN 3 Ca 0.55 0.45 0.00 0.00 -1.82 0.00 0.00 55.36 54.54 1nyc s GLN 3 Cb -0.10 -3.24 0.01 0.00 -1.09 0.00 0.00 33.01 28.59 1nyc s GLN 3 CO 0.35 0.64 -0.16 -1.17 -1.32 0.00 0.00 175.29 173.63 1nyc s LEU 4 N -0.92 2.33 -0.15 2.60 2.96 -1.26 -0.55 118.68 123.69 1nyc s LEU 4 Ca 0.24 -0.57 -0.05 0.00 -0.22 0.00 0.00 54.13 53.53 1nyc s LEU 4 Cb -0.17 -1.54 -0.03 0.00 0.50 0.00 0.00 46.19 44.95 1nyc s LEU 4 CO 0.14 0.01 0.02 -1.58 -1.32 0.00 0.00 176.35 173.62 1nyc s GLN 5 N 1.25 3.62 -0.09 1.98 0.74 -0.28 -4.99 119.66 121.88 1nyc s GLN 5 Ca 0.03 -0.40 -0.15 0.00 0.05 0.00 0.00 55.36 54.89 1nyc s GLN 5 Cb -0.14 -3.02 -0.05 0.00 1.10 0.00 0.00 33.01 30.91 1nyc s GLN 5 CO -0.09 0.40 0.37 -0.06 -0.55 0.00 0.00 175.29 175.36 1nyc s PHE 6 N -0.02 3.57 -0.31 1.67 0.40 -1.26 -1.37 117.98 120.67 1nyc s PHE 6 Ca 0.04 0.80 0.03 0.00 -0.60 0.00 0.00 56.93 57.20 1nyc s PHE 6 Cb -0.13 -2.35 0.09 0.00 0.51 0.00 0.00 43.02 41.14 1nyc s PHE 6 CO 0.02 0.39 -0.00 0.42 0.70 0.00 0.00 175.22 176.75 1nyc s ILE 7 N -0.13 2.07 -0.48 0.64 1.01 -0.09 -4.83 121.20 119.40 1nyc s ILE 7 Ca 0.21 -1.97 -0.13 0.00 0.00 0.00 0.00 60.65 58.76 1nyc s ILE 7 Cb -0.15 -2.41 0.09 0.00 0.01 0.00 0.00 42.46 40.01 1nyc s ILE 7 CO 0.09 -0.40 0.38 0.20 0.00 0.00 0.00 174.94 175.21 1nyc s ASN 8 N 1.06 5.98 -0.07 3.58 0.01 -0.24 -1.48 114.94 123.78 1nyc s ASN 8 Ca 0.04 -1.56 -0.30 0.00 -0.71 0.00 0.00 52.86 50.33 1nyc s ASN 8 Cb -0.19 -2.12 -0.04 0.00 0.41 0.00 0.00 41.25 39.31 1nyc s ASN 8 CO -0.08 -0.68 1.32 -0.76 -1.51 0.00 0.00 177.10 175.39 1nyc s LEU 9 N 1.54 4.26 -0.29 0.60 1.43 0.10 -1.07 118.68 125.26 1nyc s LEU 9 Ca 0.04 1.90 -0.08 0.00 -1.03 0.00 0.00 54.13 54.96 1nyc s LEU 9 Cb -0.26 -3.55 -0.00 0.00 0.03 0.00 0.00 46.19 42.41 1nyc s LEU 9 CO 0.04 -0.71 0.11 -0.69 0.23 0.00 0.00 176.35 175.33 1nyc s VAL 10 N 2.82 4.30 -0.09 -1.59 1.01 -0.24 -0.59 120.40 126.02 1nyc s VAL 10 Ca 0.59 -0.49 -0.30 0.00 0.00 0.00 0.00 61.98 61.79 1nyc s VAL 10 Cb -0.27 -3.17 0.08 0.00 0.00 0.00 0.00 36.38 33.02 1nyc s VAL 10 CO 0.22 0.12 0.75 -0.72 0.00 0.00 0.00 175.10 175.46 1nyc s TYR 11 N 1.57 -0.62 -0.48 5.22 -0.85 -1.26 -4.52 117.35 116.40 1nyc s TYR 11 Ca 0.04 1.12 -0.23 0.00 -0.52 0.00 0.00 57.07 57.48 1nyc s TYR 11 Cb -0.17 0.40 0.03 0.00 0.38 0.00 0.00 41.96 42.61 1nyc s TYR 11 CO 0.04 -0.54 0.83 0.34 -1.52 0.00 0.00 175.55 174.71 1nyc s ASP 12 N -1.00 6.38 0.47 -0.18 -1.08 -1.26 -4.93 116.67 115.07 1nyc s ASP 12 Ca -0.08 -0.22 0.12 0.00 -0.52 0.00 0.00 52.55 51.85 1nyc s ASP 12 Cb -0.01 -2.40 1.08 0.00 -1.46 0.00 0.00 42.92 40.13 1nyc s ASP 12 CO 0.07 -1.02 2.10 0.00 0.52 0.00 0.00 175.17 176.85 1nyc h THR 13 N 5.99 1.04 0.00 1.71 1.03 -1.99 -2.55 112.91 118.14 1nyc h THR 13 Ca -0.25 -0.09 0.00 0.00 -0.01 0.00 0.00 66.41 66.06 1nyc h THR 13 Cb 1.08 0.75 0.00 0.00 -1.07 0.00 0.00 68.15 68.91 1nyc h THR 13 CO 1.00 0.05 0.00 0.35 -0.01 0.00 0.00 175.52 176.91 1nyc n THR 14 N -4.51 1.00 1.08 0.00 -2.24 -1.26 -1.68 114.28 106.67 1nyc n THR 14 Ca 0.00 0.25 0.12 0.00 -2.27 0.00 0.00 64.05 62.15 1nyc n THR 14 Cb 0.09 -1.03 0.12 0.00 -2.10 0.00 0.00 70.33 67.41 1nyc n THR 14 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1nyc n LYS 15 N -1.45 1.55 -3.82 -0.78 4.76 -0.96 -4.98 118.16 112.49 1nyc n LYS 15 Ca 0.04 -1.22 -0.25 0.00 -2.87 0.00 0.00 58.31 54.01 1nyc n LYS 15 Cb 0.14 -1.47 -0.03 0.00 -1.84 0.00 0.00 35.03 31.83 1nyc n LYS 15 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1nyc s LEU 16 N -2.29 4.27 0.76 -0.35 1.43 -0.68 -5.09 118.68 116.72 1nyc s LEU 16 Ca 0.24 0.25 -0.11 0.00 -1.03 0.00 0.00 54.13 53.47 1nyc s LEU 16 Cb 0.19 -3.02 0.05 0.00 0.03 0.00 0.00 46.19 43.44 1nyc s LEU 16 CO 0.46 -0.04 1.09 0.42 0.23 0.00 0.00 176.35 178.51 1nyc s THR 17 N -1.89 3.34 0.23 5.49 -4.23 -1.26 -4.88 115.64 112.44 1nyc s THR 17 Ca 0.36 0.44 -0.07 0.00 -1.18 0.00 0.00 61.69 61.24 1nyc s THR 17 Cb -0.10 -3.24 0.20 0.00 1.34 0.00 0.00 72.50 70.70 1nyc s THR 17 CO 0.29 -0.57 1.87 0.45 -0.54 0.00 0.00 174.62 176.12 1nyc h HIS 18 N -0.93 1.00 -0.16 3.99 -0.00 -1.98 -1.38 115.15 115.69 1nyc h HIS 18 Ca -0.46 0.03 -0.14 0.00 -0.00 0.00 0.00 60.37 59.80 1nyc h HIS 18 Cb 1.25 -0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 28.33 1nyc h HIS 18 CO 0.50 0.55 -0.48 1.25 -0.00 0.00 0.00 177.93 179.75 1nyc h LEU 19 N 1.02 0.45 -0.85 2.43 5.85 -1.99 -0.74 115.31 121.47 1nyc h LEU 19 Ca 0.35 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 1nyc h LEU 19 Cb 0.06 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.94 1nyc h LEU 19 CO -0.13 0.86 0.09 -0.33 -0.34 0.00 0.00 178.44 178.59 1nyc h GLU 20 N 0.33 0.95 -0.46 1.25 5.08 -1.79 -1.16 114.58 118.78 1nyc h GLU 20 Ca 0.02 -0.24 -0.03 0.00 -1.00 0.00 0.00 59.36 58.11 1nyc h GLU 20 Cb 0.97 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.08 1nyc h GLU 20 CO 0.08 0.88 0.18 1.96 -1.00 0.00 0.00 179.01 181.12 1nyc h GLN 21 N 0.90 0.70 -0.52 2.33 4.20 -0.86 -1.88 115.11 119.97 1nyc h GLN 21 Ca 0.18 -0.13 0.10 0.00 0.06 0.00 0.00 58.65 58.86 1nyc h GLN 21 Cb 0.40 -0.11 -0.08 0.00 0.30 0.00 0.00 27.48 27.99 1nyc h GLN 21 CO 0.01 0.64 0.06 1.15 -0.67 0.00 0.00 178.83 180.02 1nyc h THR 22 N 0.61 0.65 -0.39 -0.54 2.02 -0.77 -0.85 112.91 113.64 1nyc h THR 22 Ca 0.15 -0.06 -0.10 0.00 0.77 0.00 0.00 66.41 67.18 1nyc h THR 22 Cb 0.21 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 67.05 1nyc h THR 22 CO -0.01 0.03 -0.13 0.78 0.37 0.00 0.00 175.52 176.56 1nyc h ASN 23 N 0.19 0.78 -0.84 4.18 2.35 -0.84 -2.24 115.58 119.16 1nyc h ASN 23 Ca 0.27 -0.38 -0.02 0.00 -0.55 0.00 0.00 56.30 55.62 1nyc h ASN 23 Cb 0.39 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.50 1nyc h ASN 23 CO -0.38 0.99 0.46 0.40 -1.65 0.00 0.00 177.43 177.24 1nyc h ILE 24 N 0.57 1.25 0.00 2.81 2.04 -1.03 -2.57 117.51 120.57 1nyc h ILE 24 Ca 0.09 -0.62 -0.02 0.00 1.00 0.00 0.00 64.86 65.32 1nyc h ILE 24 Cb 0.66 0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.85 1nyc h ILE 24 CO 0.05 0.28 -0.09 0.78 0.00 0.00 0.00 178.15 179.16 1nyc h ASN 25 N 1.18 0.00 -0.08 1.72 2.35 -0.58 -0.43 115.58 119.74 1nyc h ASN 25 Ca 0.30 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 56.07 1nyc h ASN 25 Cb 0.03 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 1nyc h ASN 25 CO -0.05 0.09 0.13 -0.07 -1.65 0.00 0.00 177.43 175.89 1nyc h LEU 26 N 0.00 0.00 0.00 1.61 3.38 -1.06 -2.86 115.31 116.38 1nyc h LEU 26 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1nyc h LEU 26 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 1nyc h LEU 26 CO 0.01 0.00 -0.72 0.49 0.09 0.00 0.00 178.44 178.31 1nyc n PHE 27 N -3.51 0.00 -2.21 1.13 3.01 -0.17 -4.96 117.46 110.75 1nyc n PHE 27 Ca -0.01 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.04 1nyc n PHE 27 Cb 0.23 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 39.66 1nyc n PHE 27 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1nyc s ILE 28 N -2.40 3.25 -5.00 4.37 -1.09 -1.08 -4.68 121.20 114.57 1nyc s ILE 28 Ca 0.05 0.99 0.00 0.00 -2.23 0.00 0.00 60.65 59.46 1nyc s ILE 28 Cb 0.11 -3.63 0.00 0.00 -1.58 0.00 0.00 42.46 37.36 1nyc s ILE 28 CO 0.60 0.13 0.00 0.61 -1.23 0.00 0.00 174.94 175.05 1nyc n GLY 29 N 2.69 0.13 3.34 6.18 0.00 -0.23 -4.98 105.19 112.33 1nyc n GLY 29 Ca 0.08 -1.67 -0.33 0.00 0.00 0.00 0.00 46.02 44.10 1nyc n GLY 29 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nyc s ASN 30 N -3.92 4.06 0.08 1.61 0.01 -1.26 -0.65 114.94 114.86 1nyc s ASN 30 Ca 0.00 -0.36 0.03 0.00 -0.71 0.00 0.00 52.86 51.82 1nyc s ASN 30 Cb 0.00 -1.64 -0.03 0.00 0.41 0.00 0.00 41.25 39.98 1nyc s ASN 30 CO 0.00 0.10 -0.10 0.26 -1.51 0.00 0.00 177.10 175.86 1nyc s TRP 31 N 0.72 0.95 0.04 2.20 0.52 -0.00 -0.73 118.94 122.64 1nyc s TRP 31 Ca -0.05 -0.62 -0.07 0.00 0.02 0.00 0.00 56.10 55.38 1nyc s TRP 31 Cb -0.15 -0.54 -0.00 0.00 -1.15 0.00 0.00 33.47 31.63 1nyc s TRP 31 CO 0.02 -0.03 0.14 -1.54 0.02 0.00 0.00 176.95 175.56 1nyc s SER 32 N -2.19 0.12 -0.15 2.95 1.04 0.31 -1.13 113.70 114.65 1nyc s SER 32 Ca 0.01 -0.49 -0.00 0.00 0.48 0.00 0.00 55.95 55.95 1nyc s SER 32 Cb -0.05 0.26 0.04 0.00 0.10 0.00 0.00 66.02 66.37 1nyc s SER 32 CO -0.00 -0.55 -0.07 0.21 0.98 0.00 0.00 173.24 173.80 1nyc s ASN 33 N -2.20 2.69 0.24 7.02 3.84 -0.01 -1.04 114.94 125.48 1nyc s ASN 33 Ca -0.04 -0.57 -0.05 0.00 0.21 0.00 0.00 52.86 52.41 1nyc s ASN 33 Cb -0.00 -0.95 0.24 0.00 -0.55 0.00 0.00 41.25 39.99 1nyc s ASN 33 CO -0.05 -0.15 1.80 -0.74 -2.79 0.00 0.00 177.10 175.17 1nyc h HIS 34 N 8.12 1.10 -0.58 0.43 -0.00 -1.89 -1.54 115.15 120.79 1nyc h HIS 34 Ca -0.27 -0.09 -0.09 0.00 -0.00 0.00 0.00 60.37 59.92 1nyc h HIS 34 Cb 1.12 -0.33 -0.02 0.00 -0.00 0.00 0.00 27.41 28.18 1nyc h HIS 34 CO 0.46 0.85 -0.01 0.37 -0.00 0.00 0.00 177.93 179.61 1nyc h GLN 35 N 1.05 1.01 0.00 5.26 5.75 -1.96 -2.62 115.11 123.60 1nyc h GLN 35 Ca 0.24 -0.32 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 1nyc h GLN 35 Cb 0.23 -0.10 0.00 0.00 1.07 0.00 0.00 27.48 28.69 1nyc h GLN 35 CO -0.02 1.00 -0.39 1.28 -2.65 0.00 0.00 178.83 178.06 1nyc n LEU 36 N -4.18 0.72 -3.70 -2.39 4.77 -1.20 -4.94 117.00 106.09 1nyc n LEU 36 Ca 0.03 0.35 -0.22 0.00 -0.03 0.00 0.00 56.01 56.13 1nyc n LEU 36 Cb 0.34 -0.24 0.04 0.00 -2.33 0.00 0.00 43.42 41.24 1nyc n LEU 36 CO 0.44 -0.09 0.00 0.00 -1.33 0.00 0.00 177.39 176.41 1nyc n GLN 37 N -2.14 -5.40 -4.34 3.23 6.02 -0.61 -4.90 117.38 109.24 1nyc n GLN 37 Ca 0.04 0.66 -0.19 0.00 -0.01 0.00 0.00 57.00 57.50 1nyc n GLN 37 Cb 0.43 -5.36 -0.15 0.00 1.02 0.00 0.00 30.24 26.18 1nyc n GLN 37 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1nyc s LYS 38 N -6.04 0.79 0.11 -1.09 2.20 -1.03 -1.90 119.74 112.79 1nyc s LYS 38 Ca 0.15 -0.29 0.10 0.00 -0.36 0.00 0.00 55.97 55.57 1nyc s LYS 38 Cb -0.07 -0.76 -0.04 0.00 -1.51 0.00 0.00 37.83 35.45 1nyc s LYS 38 CO 0.80 0.14 -0.26 0.45 -0.36 0.00 0.00 175.35 176.13 1nyc s SER 39 N 0.01 3.12 -0.03 1.43 0.15 0.28 -0.83 113.70 117.84 1nyc s SER 39 Ca 0.00 -0.71 0.06 0.00 0.70 0.00 0.00 55.95 56.00 1nyc s SER 39 Cb -0.06 -0.21 -0.01 0.00 -1.71 0.00 0.00 66.02 64.03 1nyc s SER 39 CO -0.00 0.17 -0.20 0.27 1.20 0.00 0.00 173.24 174.67 1nyc s ILE 40 N -1.03 1.62 -0.30 6.45 -4.36 -0.28 -1.12 121.20 122.17 1nyc s ILE 40 Ca 0.12 -0.86 -0.02 0.00 -0.26 0.00 0.00 60.65 59.63 1nyc s ILE 40 Cb -0.10 -1.36 0.05 0.00 1.25 0.00 0.00 42.46 42.30 1nyc s ILE 40 CO 0.05 0.46 -0.00 0.00 0.24 0.00 0.00 174.94 175.69 1nyc s ILE 42 N 1.26 4.61 0.09 0.00 1.01 0.17 -0.91 121.20 127.43 1nyc s ILE 42 Ca -0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 60.65 60.52 1nyc s ILE 42 Cb -0.20 -3.17 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 1nyc s ILE 42 CO -0.01 0.32 0.01 -0.13 0.00 0.00 0.00 174.94 175.13 1nyc s ARG 43 N 1.61 0.77 -0.30 2.79 0.52 -0.55 -1.06 118.95 122.73 1nyc s ARG 43 Ca 0.06 -1.33 -0.29 0.00 -0.52 0.00 0.00 55.73 53.66 1nyc s ARG 43 Cb -0.15 0.21 0.01 0.00 0.52 0.00 0.00 34.95 35.54 1nyc s ARG 43 CO 0.06 -0.18 1.05 -1.58 0.02 0.00 0.00 175.30 174.66 1nyc s HIS 44 N -3.97 3.19 0.00 -0.53 5.65 -1.26 -0.72 115.29 117.65 1nyc s HIS 44 Ca 0.15 1.22 0.00 0.00 0.25 0.00 0.00 55.06 56.69 1nyc s HIS 44 Cb 0.08 -3.57 0.00 0.00 -1.18 0.00 0.00 32.58 27.90 1nyc s HIS 44 CO -0.04 -0.70 0.00 0.41 -0.65 0.00 0.00 174.74 173.76 1nyc n GLY 45 N 3.79 4.13 0.75 1.59 0.00 0.25 -4.88 105.19 110.82 1nyc n GLY 45 Ca 0.11 -2.04 -0.03 0.00 0.00 0.00 0.00 46.02 44.06 1nyc n GLY 45 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1nyc n ASP 46 N -0.09 -0.33 0.31 1.61 5.68 -1.26 -4.51 116.55 117.95 1nyc n ASP 46 Ca 0.00 -1.40 0.18 0.00 -0.50 0.00 0.00 54.79 53.07 1nyc n ASP 46 Cb 0.00 0.60 1.03 0.00 -1.14 0.00 0.00 41.12 41.62 1nyc n ASP 46 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1nyc h ASP 47 N 0.43 0.00 1.41 -1.12 3.32 -1.99 -1.88 116.42 116.59 1nyc h ASP 47 Ca -0.06 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.87 1nyc h ASP 47 Cb 0.26 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.80 1nyc h ASP 47 CO 0.08 0.00 -0.56 0.71 -1.72 0.00 0.00 179.24 177.75 1nyc h THR 48 N 0.00 0.97 -4.20 0.35 1.35 -2.05 -3.48 112.91 105.86 1nyc h THR 48 Ca 0.00 -2.35 -0.54 0.00 -0.55 0.00 0.00 66.41 62.98 1nyc h THR 48 Cb 0.01 2.46 0.18 0.00 -1.73 0.00 0.00 68.15 69.08 1nyc h THR 48 CO -0.00 0.55 0.36 -0.44 -0.25 0.00 0.00 175.52 175.74 1nyc s SER 49 N -6.49 3.67 0.56 5.36 0.01 -0.71 -5.05 113.70 111.05 1nyc s SER 49 Ca 0.03 2.39 0.03 0.00 1.31 0.00 0.00 55.95 59.72 1nyc s SER 49 Cb 0.08 -2.59 0.05 0.00 0.21 0.00 0.00 66.02 63.77 1nyc s SER 49 CO 0.75 -2.62 0.78 -1.00 0.41 0.00 0.00 173.24 171.57 1nyc s HIS 50 N -2.08 2.45 -1.23 2.43 3.76 -1.26 -4.64 115.29 114.72 1nyc s HIS 50 Ca 0.74 -0.21 -0.02 0.00 -0.15 0.00 0.00 55.06 55.43 1nyc s HIS 50 Cb -0.29 -2.68 -0.01 0.00 1.11 0.00 0.00 32.58 30.71 1nyc s HIS 50 CO 0.50 -0.99 0.84 0.09 -0.85 0.00 0.00 174.74 174.33 1nyc n ASN 51 N -2.34 -2.25 -4.78 1.40 4.13 -1.26 -4.63 115.26 105.53 1nyc n ASN 51 Ca 0.10 -0.75 -0.39 0.00 1.68 0.00 0.00 54.58 55.23 1nyc n ASN 51 Cb 0.60 -4.53 -0.06 0.00 -1.54 0.00 0.00 39.78 34.25 1nyc n ASN 51 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1nyc s GLN 52 N -5.59 4.33 0.04 3.52 -0.21 -1.26 -1.08 119.66 119.41 1nyc s GLN 52 Ca 0.07 0.84 0.05 0.00 0.02 0.00 0.00 55.36 56.35 1nyc s GLN 52 Cb -0.02 -3.29 -0.02 0.00 1.00 0.00 0.00 33.01 30.69 1nyc s GLN 52 CO 0.78 0.50 -0.15 0.71 -2.12 0.00 0.00 175.29 175.01 1nyc s TYR 53 N -0.71 1.28 -0.15 0.91 1.51 -0.23 -1.07 117.35 118.89 1nyc s TYR 53 Ca 0.32 -0.35 -0.03 0.00 -1.01 0.00 0.00 57.07 56.00 1nyc s TYR 53 Cb -0.20 -0.76 -0.03 0.00 -0.11 0.00 0.00 41.96 40.86 1nyc s TYR 53 CO 0.20 0.04 -0.04 -1.58 -1.11 0.00 0.00 175.55 173.06 1nyc s HIS 54 N -0.80 3.03 -0.17 2.71 5.65 -0.07 -1.08 115.29 124.55 1nyc s HIS 54 Ca 0.02 -0.25 -0.25 0.00 0.25 0.00 0.00 55.06 54.84 1nyc s HIS 54 Cb -0.08 -1.93 -0.02 0.00 -1.18 0.00 0.00 32.58 29.37 1nyc s HIS 54 CO 0.01 0.02 0.80 0.42 -0.65 0.00 0.00 174.74 175.34 1nyc s ILE 55 N 0.21 4.90 -0.06 0.89 1.01 -1.26 -1.19 121.20 125.70 1nyc s ILE 55 Ca -0.02 1.56 0.02 0.00 0.00 0.00 0.00 60.65 62.21 1nyc s ILE 55 Cb -0.14 -4.11 -0.25 0.00 0.01 0.00 0.00 42.46 37.97 1nyc s ILE 55 CO 0.03 0.04 0.60 -0.07 0.00 0.00 0.00 174.94 175.54 1nyc h LEU 56 N 8.28 0.24 -7.05 2.97 3.38 -0.99 -3.48 115.31 118.66 1nyc h LEU 56 Ca -0.30 -0.48 -0.04 0.00 0.09 0.00 0.00 57.88 57.16 1nyc h LEU 56 Cb 1.13 -0.08 -0.22 0.00 0.09 0.00 0.00 40.66 41.59 1nyc h LEU 56 CO 0.83 1.42 0.04 0.12 0.09 0.00 0.00 178.44 180.94 1nyc s PHE 57 N -2.59 -0.82 -0.32 1.13 5.36 -1.14 -4.98 117.98 114.62 1nyc s PHE 57 Ca -0.12 1.87 -0.02 0.00 -0.96 0.00 0.00 56.93 57.70 1nyc s PHE 57 Cb 0.07 0.36 0.06 0.00 -0.34 0.00 0.00 43.02 43.18 1nyc s PHE 57 CO 0.81 -0.40 0.04 0.42 -1.46 0.00 0.00 175.22 174.63 1nyc s ILE 58 N 0.78 3.03 -0.79 3.12 1.01 -1.26 -1.36 121.20 125.73 1nyc s ILE 58 Ca -0.03 -1.56 -0.18 0.00 0.00 0.00 0.00 60.65 58.88 1nyc s ILE 58 Cb -0.05 -2.83 0.14 0.00 0.01 0.00 0.00 42.46 39.73 1nyc s ILE 58 CO -0.06 -0.25 0.91 -0.62 0.00 0.00 0.00 174.94 174.92 1nyc s ASP 59 N 1.35 6.50 0.17 3.58 -1.08 -0.08 -4.86 116.67 122.27 1nyc s ASP 59 Ca -0.02 -1.96 0.26 0.00 -0.52 0.00 0.00 52.55 50.31 1nyc s ASP 59 Cb -0.20 -2.33 0.91 0.00 -1.46 0.00 0.00 42.92 39.84 1nyc s ASP 59 CO -0.02 -0.99 1.77 0.35 0.52 0.00 0.00 175.17 176.81 1nyc n THR 60 N 5.17 0.56 0.02 1.71 -2.24 -1.26 -0.93 114.28 117.31 1nyc n THR 60 Ca 0.10 -0.11 -0.13 0.00 -2.27 0.00 0.00 64.05 61.65 1nyc n THR 60 Cb 0.46 -0.71 -0.01 0.00 -2.10 0.00 0.00 70.33 67.98 1nyc n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nyc h ALA 61 N 2.55 0.49 0.00 6.98 0.00 -1.96 -3.37 119.26 123.96 1nyc h ALA 61 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1nyc h ALA 61 Cb 0.60 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1nyc h ALA 61 CO 0.00 0.73 0.00 0.72 0.00 0.00 0.00 179.25 180.70 1nyc n HIS 62 N -3.87 0.00 -3.29 0.00 8.25 -1.22 -5.04 115.22 110.05 1nyc n HIS 62 Ca -0.05 -0.33 -0.15 0.00 -0.26 0.00 0.00 57.72 56.93 1nyc n HIS 62 Cb 0.72 -0.03 0.06 0.00 1.12 0.00 0.00 29.99 31.86 1nyc n HIS 62 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1nyc n GLN 63 N -0.33 -2.00 -4.11 -0.41 3.00 -0.11 -4.68 117.38 108.75 1nyc n GLN 63 Ca 0.00 0.89 -0.11 0.00 -0.01 0.00 0.00 57.00 57.77 1nyc n GLN 63 Cb 0.26 -5.57 -0.11 0.00 0.00 0.00 0.00 30.24 24.82 1nyc n GLN 63 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1nyc s ARG 64 N -4.43 0.68 0.05 -1.09 0.52 -0.83 -1.25 118.95 112.60 1nyc s ARG 64 Ca 0.40 -1.09 0.03 0.00 -0.52 0.00 0.00 55.73 54.56 1nyc s ARG 64 Cb -0.07 -0.17 -0.02 0.00 0.52 0.00 0.00 34.95 35.21 1nyc s ARG 64 CO 0.76 -0.01 -0.10 0.96 0.02 0.00 0.00 175.30 176.93 1nyc s ILE 65 N -2.79 0.76 -0.02 1.52 -4.36 -0.60 -0.90 121.20 114.81 1nyc s ILE 65 Ca 0.02 -1.12 0.07 0.00 -0.26 0.00 0.00 60.65 59.37 1nyc s ILE 65 Cb -0.00 -0.78 -0.02 0.00 1.25 0.00 0.00 42.46 42.91 1nyc s ILE 65 CO -0.03 -0.28 -0.24 -0.54 0.24 0.00 0.00 174.94 174.08 1nyc s LYS 66 N -1.55 1.97 0.17 0.37 1.02 -0.47 -0.87 119.74 120.38 1nyc s LYS 66 Ca -0.06 -0.85 -0.20 0.00 0.02 0.00 0.00 55.97 54.87 1nyc s LYS 66 Cb -0.10 -1.88 0.05 0.00 -0.52 0.00 0.00 37.83 35.38 1nyc s LYS 66 CO 0.01 0.50 0.55 -0.59 -0.92 0.00 0.00 175.35 174.90 1nyc s PHE 67 N -0.53 -0.36 0.05 3.18 -0.12 -0.20 -0.27 117.98 119.73 1nyc s PHE 67 Ca 0.08 0.09 0.01 0.00 -0.05 0.00 0.00 56.93 57.06 1nyc s PHE 67 Cb -0.09 0.47 -0.03 0.00 -0.63 0.00 0.00 43.02 42.74 1nyc s PHE 67 CO -0.01 -0.85 -0.05 -1.54 -0.05 0.00 0.00 175.22 172.72 1nyc s SER 68 N -2.80 0.66 0.58 1.98 1.04 -0.34 -0.21 113.70 114.62 1nyc s SER 68 Ca 0.04 -0.71 -0.18 0.00 0.48 0.00 0.00 55.95 55.57 1nyc s SER 68 Cb -0.01 0.10 -0.04 0.00 0.10 0.00 0.00 66.02 66.17 1nyc s SER 68 CO -0.10 -0.36 1.14 -0.94 0.98 0.00 0.00 173.24 173.97 1nyc s SER 69 N -2.08 5.49 0.39 7.02 1.04 -1.25 -0.90 113.70 123.42 1nyc s SER 69 Ca -0.04 2.18 0.08 0.00 0.48 0.00 0.00 55.95 58.64 1nyc s SER 69 Cb -0.04 -2.58 0.84 0.00 0.10 0.00 0.00 66.02 64.34 1nyc s SER 69 CO -0.03 -1.38 2.00 -0.26 0.98 0.00 0.00 173.24 174.55 1nyc h PHE 70 N 0.89 0.61 -0.01 5.02 0.05 -1.45 -2.74 116.94 119.32 1nyc h PHE 70 Ca -0.49 0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.31 1nyc h PHE 70 Cb 1.27 -0.20 0.00 0.00 2.00 0.00 0.00 35.95 39.01 1nyc h PHE 70 CO 0.51 0.34 -0.01 -0.25 -0.18 0.00 0.00 178.31 178.73 1nyc n ASP 71 N -4.47 0.65 -3.15 2.17 9.92 -1.26 -4.68 116.55 115.73 1nyc n ASP 71 Ca 0.08 -1.18 0.04 0.00 -0.53 0.00 0.00 54.79 53.20 1nyc n ASP 71 Cb 0.20 -0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.67 1nyc n ASP 71 CO 0.00 0.00 0.00 0.21 0.13 0.00 0.00 177.20 177.54 1nyc s ASN 72 N -2.02 -1.55 0.04 -2.24 3.84 -1.03 -5.02 114.94 106.96 1nyc s ASN 72 Ca 0.43 0.30 0.28 0.00 0.21 0.00 0.00 52.86 54.08 1nyc s ASN 72 Cb 0.21 2.03 1.15 0.00 -0.55 0.00 0.00 41.25 44.09 1nyc s ASN 72 CO 0.36 -0.28 1.90 -0.62 -2.79 0.00 0.00 177.10 175.66 1nyc n GLU 73 N 5.41 0.05 0.04 0.43 -0.58 -1.26 -3.78 120.64 120.95 1nyc n GLU 73 Ca 0.04 0.04 -0.15 0.00 -0.42 0.00 0.00 57.16 56.67 1nyc n GLU 73 Cb 0.54 -1.56 -0.05 0.00 -0.57 0.00 0.00 31.44 29.80 1nyc n GLU 73 CO 0.00 0.00 0.00 0.93 -0.48 0.00 0.00 177.13 177.58 1nyc h GLU 74 N 0.00 0.54 -5.44 3.49 4.39 -1.95 -3.42 114.58 112.18 1nyc h GLU 74 Ca 0.00 -0.53 -0.60 0.00 0.34 0.00 0.00 59.36 58.57 1nyc h GLU 74 Cb 0.55 0.14 -0.11 0.00 -0.10 0.00 0.00 28.75 29.22 1nyc h GLU 74 CO 0.00 1.16 -0.14 0.42 -1.16 0.00 0.00 179.01 179.29 1nyc s ILE 75 N -3.42 5.16 -0.14 3.13 1.01 -1.25 -1.08 121.20 124.61 1nyc s ILE 75 Ca -0.07 0.80 -0.02 0.00 0.00 0.00 0.00 60.65 61.35 1nyc s ILE 75 Cb 0.09 -3.77 -0.02 0.00 0.01 0.00 0.00 42.46 38.76 1nyc s ILE 75 CO 0.88 0.21 -0.08 -0.63 0.00 0.00 0.00 174.94 175.32 1nyc s ILE 76 N 1.52 3.48 -0.08 2.92 1.01 -0.80 -4.44 121.20 124.81 1nyc s ILE 76 Ca 0.21 -0.51 -0.04 0.00 0.00 0.00 0.00 60.65 60.31 1nyc s ILE 76 Cb -0.15 -2.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.78 1nyc s ILE 76 CO 0.09 0.51 0.11 -0.31 0.00 0.00 0.00 174.94 175.34 1nyc s TYR 77 N 0.34 3.47 -0.10 3.97 1.51 0.71 -0.38 117.35 126.86 1nyc s TYR 77 Ca -0.07 0.40 0.04 0.00 -1.01 0.00 0.00 57.07 56.42 1nyc s TYR 77 Cb -0.15 -1.87 0.00 0.00 -0.11 0.00 0.00 41.96 39.84 1nyc s TYR 77 CO 0.04 0.65 -0.22 0.42 -1.11 0.00 0.00 175.55 175.33 1nyc s ILE 78 N -1.07 1.92 -0.14 2.71 1.01 0.39 -1.03 121.20 124.99 1nyc s ILE 78 Ca 0.18 -0.93 -0.01 0.00 0.00 0.00 0.00 60.65 59.88 1nyc s ILE 78 Cb -0.12 -1.67 -0.02 0.00 0.01 0.00 0.00 42.46 40.66 1nyc s ILE 78 CO 0.07 0.53 -0.10 -0.76 0.00 0.00 0.00 174.94 174.68 1nyc s LEU 79 N 0.44 2.90 -0.14 2.97 1.43 -0.05 -0.69 118.68 125.53 1nyc s LEU 79 Ca -0.17 -0.26 -0.01 0.00 -1.03 0.00 0.00 54.13 52.66 1nyc s LEU 79 Cb -0.17 -1.67 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 1nyc s LEU 79 CO 0.07 0.16 -0.11 -1.81 0.23 0.00 0.00 176.35 174.90 1nyc s ASP 80 N 0.37 4.16 0.25 2.29 1.01 0.52 -1.55 116.67 123.72 1nyc s ASP 80 Ca -0.08 -0.30 -0.30 0.00 0.71 0.00 0.00 52.55 52.58 1nyc s ASP 80 Cb -0.15 -1.65 -0.09 0.00 1.01 0.00 0.00 42.92 42.04 1nyc s ASP 80 CO 0.05 0.15 1.12 -0.47 0.21 0.00 0.00 175.17 176.23 1nyc s TYR 81 N 0.47 3.54 -0.01 4.23 5.04 -0.38 -0.77 117.35 129.47 1nyc s TYR 81 Ca -0.08 1.62 -0.03 0.00 -2.44 0.00 0.00 57.07 56.15 1nyc s TYR 81 Cb -0.15 -3.32 -0.01 0.00 0.35 0.00 0.00 41.96 38.82 1nyc s TYR 81 CO 0.04 -0.72 -0.05 -3.47 -1.34 0.00 0.00 175.55 170.01 1nyc n ASP 82 N 1.63 0.46 -2.04 4.32 -0.08 -0.78 -4.91 116.55 115.15 1nyc n ASP 82 Ca 0.01 0.07 -0.07 0.00 -1.51 0.00 0.00 54.79 53.29 1nyc n ASP 82 Cb 0.45 -0.32 -0.01 0.00 2.34 0.00 0.00 41.12 43.58 1nyc n ASP 82 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1nyc n ASP 83 N -2.94 -0.87 0.29 1.67 5.68 -0.89 -4.99 116.55 114.51 1nyc n ASP 83 Ca -0.02 -1.97 0.19 0.00 -0.50 0.00 0.00 54.79 52.49 1nyc n ASP 83 Cb 0.07 1.55 0.96 0.00 -1.14 0.00 0.00 41.12 42.56 1nyc n ASP 83 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 1nyc h THR 84 N 1.54 0.16 -0.01 2.12 1.35 -2.01 -2.41 112.91 113.65 1nyc h THR 84 Ca -0.15 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 1nyc h THR 84 Cb 0.64 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 1nyc h THR 84 CO 0.21 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.48 1nyc n GLN 85 N -3.27 0.21 -3.76 4.72 1.13 -1.26 -4.87 117.38 110.29 1nyc n GLN 85 Ca -0.01 -1.02 -0.14 0.00 -1.94 0.00 0.00 57.00 53.89 1nyc n GLN 85 Cb 0.26 -1.16 -0.15 0.00 0.11 0.00 0.00 30.24 29.30 1nyc n GLN 85 CO 0.00 0.00 0.00 -1.01 -1.44 0.00 0.00 177.06 174.61 1nyc s HIS 86 N -0.71 -0.11 0.14 1.08 3.76 -0.91 -0.76 115.29 117.77 1nyc s HIS 86 Ca 0.10 0.38 0.04 0.00 -0.15 0.00 0.00 55.06 55.43 1nyc s HIS 86 Cb 0.07 -0.11 -0.04 0.00 1.11 0.00 0.00 32.58 33.61 1nyc s HIS 86 CO 0.11 -0.14 -0.10 0.96 -0.85 0.00 0.00 174.74 174.72 1nyc s ILE 87 N 1.04 1.11 -0.01 0.60 -4.36 -0.66 -1.87 121.20 117.06 1nyc s ILE 87 Ca -0.08 -2.03 0.07 0.00 -0.26 0.00 0.00 60.65 58.34 1nyc s ILE 87 Cb -0.11 -1.81 -0.02 0.00 1.25 0.00 0.00 42.46 41.77 1nyc s ILE 87 CO -0.05 -0.76 -0.22 -0.76 0.24 0.00 0.00 174.94 173.39 1nyc s LEU 88 N -3.13 2.06 -0.07 0.37 1.02 0.05 -0.48 118.68 118.50 1nyc s LEU 88 Ca 0.16 -0.42 0.02 0.00 0.02 0.00 0.00 54.13 53.90 1nyc s LEU 88 Cb 0.03 -1.14 -0.03 0.00 0.02 0.00 0.00 46.19 45.07 1nyc s LEU 88 CO -0.00 0.26 -0.11 -0.32 0.02 0.00 0.00 176.35 176.20 1nyc s MET 89 N -0.62 2.76 0.13 1.70 1.75 -0.10 -0.35 119.30 124.57 1nyc s MET 89 Ca 0.09 -0.64 0.05 0.00 -1.25 0.00 0.00 55.69 53.94 1nyc s MET 89 Cb -0.09 -2.51 -0.04 0.00 2.84 0.00 0.00 34.83 35.03 1nyc s MET 89 CO -0.00 0.57 -0.12 -0.65 -0.65 0.00 0.00 175.02 174.16 1nyc s GLN 90 N -0.56 1.03 -0.05 4.11 -0.21 0.13 -1.27 119.66 122.84 1nyc s GLN 90 Ca 0.08 -1.33 0.05 0.00 0.02 0.00 0.00 55.36 54.18 1nyc s GLN 90 Cb -0.12 -0.76 -0.02 0.00 1.00 0.00 0.00 33.01 33.11 1nyc s GLN 90 CO 0.02 0.12 -0.20 0.99 -2.12 0.00 0.00 175.29 174.10 1nyc s THR 91 N -2.67 2.55 0.00 -0.19 2.01 -1.26 -0.46 115.64 115.62 1nyc s THR 91 Ca 0.12 -0.90 0.00 0.00 0.31 0.00 0.00 61.69 61.22 1nyc s THR 91 Cb -0.02 -1.96 0.00 0.00 0.01 0.00 0.00 72.50 70.53 1nyc s THR 91 CO 0.02 0.58 0.00 -0.24 -0.69 0.00 0.00 174.62 174.29 1nyc n SER 92 N 2.65 0.18 -3.72 3.53 2.88 0.49 -0.71 113.62 118.93 1nyc n SER 92 Ca -0.17 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.28 1nyc n SER 92 Cb 0.52 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.95 1nyc n SER 92 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1nyc s SER 93 N 1.00 -0.34 0.07 -3.46 1.04 -1.26 -1.91 113.70 108.85 1nyc s SER 93 Ca 0.00 -0.43 -0.16 0.00 0.48 0.00 0.00 55.95 55.84 1nyc s SER 93 Cb 0.00 0.65 -0.13 0.00 0.10 0.00 0.00 66.02 66.64 1nyc s SER 93 CO 0.00 -1.17 1.33 0.50 0.98 0.00 0.00 173.24 174.88 1nyc h LYS 94 N 2.05 0.62 0.00 4.02 3.64 -1.36 -3.39 116.57 122.15 1nyc h LYS 94 Ca -0.26 -0.41 0.00 0.00 -1.27 0.00 0.00 60.65 58.71 1nyc h LYS 94 Cb 1.27 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1nyc h LYS 94 CO 0.31 1.03 -0.13 1.04 -2.27 0.00 0.00 179.45 179.43 1nyc n GLN 95 N -4.23 0.37 -0.52 1.90 6.02 -1.26 -5.08 117.38 114.58 1nyc n GLN 95 Ca -0.06 -0.84 -0.00 0.00 -0.01 0.00 0.00 57.00 56.09 1nyc n GLN 95 Cb 0.55 -0.60 0.00 0.00 1.02 0.00 0.00 30.24 31.21 1nyc n GLN 95 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nyc n GLY 96 N -0.12 0.41 3.43 1.08 0.00 -1.26 -5.10 105.19 103.64 1nyc n GLY 96 Ca 0.01 -1.90 -0.33 0.00 0.00 0.00 0.00 46.02 43.79 1nyc n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nyc s ILE 97 N -0.01 3.43 0.00 -0.61 -1.09 -1.26 -4.88 121.20 116.78 1nyc s ILE 97 Ca 0.00 -0.53 0.00 0.00 -2.23 0.00 0.00 60.65 57.90 1nyc s ILE 97 Cb -0.00 -2.47 0.00 0.00 -1.58 0.00 0.00 42.46 38.41 1nyc s ILE 97 CO 0.00 0.52 0.00 0.61 -1.23 0.00 0.00 174.94 174.84 1nyc n GLY 98 N 3.45 0.71 2.94 6.18 0.00 -1.26 -5.01 105.19 112.20 1nyc n GLY 98 Ca -0.18 -1.85 -0.12 0.00 0.00 0.00 0.00 46.02 43.87 1nyc n GLY 98 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nyc s THR 99 N -2.33 -0.00 0.78 2.61 2.01 -1.26 -4.37 115.64 113.07 1nyc s THR 99 Ca 0.00 0.01 -0.12 0.00 0.31 0.00 0.00 61.69 61.89 1nyc s THR 99 Cb 0.00 -0.11 0.06 0.00 0.01 0.00 0.00 72.50 72.46 1nyc s THR 99 CO 0.00 0.00 1.12 -0.94 -0.69 0.00 0.00 174.62 174.12 1nyc s SER 100 N 0.09 4.73 0.41 3.53 1.04 0.12 -4.97 113.70 118.64 1nyc s SER 100 Ca -0.00 1.07 -0.23 0.00 0.48 0.00 0.00 55.95 57.27 1nyc s SER 100 Cb -0.01 -1.76 -0.09 0.00 0.10 0.00 0.00 66.02 64.26 1nyc s SER 100 CO -0.00 -1.79 1.01 -0.13 0.98 0.00 0.00 173.24 173.31 1nyc s ARG 101 N -5.35 4.18 0.41 4.02 0.52 -1.26 -4.57 118.95 116.90 1nyc s ARG 101 Ca 0.60 1.39 -0.26 0.00 -0.52 0.00 0.00 55.73 56.94 1nyc s ARG 101 Cb -0.12 -2.44 -0.09 0.00 0.52 0.00 0.00 34.95 32.81 1nyc s ARG 101 CO 0.52 -0.11 1.38 -2.14 0.02 0.00 0.00 175.30 174.97 1nyc s PRO 102 N -2.67 3.92 -0.08 3.54 0.02 -1.26 -4.73 135.00 133.75 1nyc s PRO 102 Ca 0.59 2.32 0.05 0.00 0.02 0.00 0.00 61.00 63.98 1nyc s PRO 102 Cb -0.18 -2.78 -0.01 0.00 0.02 0.00 0.00 34.50 31.55 1nyc s PRO 102 CO 0.23 -0.59 -0.22 0.42 -0.33 0.00 0.00 177.00 176.51 1nyc s ILE 103 N -1.21 2.26 -0.08 2.83 1.01 -0.40 -4.90 121.20 120.71 1nyc s ILE 103 Ca 0.57 -0.98 -0.22 0.00 0.00 0.00 0.00 60.65 60.02 1nyc s ILE 103 Cb -0.42 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 1nyc s ILE 103 CO 0.54 0.56 0.64 -0.69 0.00 0.00 0.00 174.94 175.99 1nyc s VAL 104 N -0.01 5.09 -0.11 2.92 1.01 -1.26 -0.92 120.40 127.11 1nyc s VAL 104 Ca -0.08 1.31 -0.01 0.00 0.00 0.00 0.00 61.98 63.20 1nyc s VAL 104 Cb -0.15 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 1nyc s VAL 104 CO 0.05 0.27 -0.06 -0.31 0.00 0.00 0.00 175.10 175.06 1nyc s TYR 105 N 0.74 2.97 -0.09 5.22 1.51 0.37 -4.62 117.35 123.45 1nyc s TYR 105 Ca 0.34 -0.17 -0.03 0.00 -1.01 0.00 0.00 57.07 56.20 1nyc s TYR 105 Cb -0.17 -1.83 -0.03 0.00 -0.11 0.00 0.00 41.96 39.81 1nyc s TYR 105 CO 0.16 0.13 0.03 -2.00 -1.11 0.00 0.00 175.55 172.76 1nyc s GLU 106 N -0.20 3.09 0.23 -0.62 2.12 -0.21 -1.65 118.70 121.46 1nyc s GLU 106 Ca 0.03 -0.35 -0.30 0.00 0.36 0.00 0.00 54.97 54.71 1nyc s GLU 106 Cb -0.13 -2.88 -0.10 0.00 0.26 0.00 0.00 34.13 31.29 1nyc s GLU 106 CO 0.03 0.71 1.41 0.50 -0.54 0.00 0.00 175.26 177.36 1nyc s ARG 107 N -0.89 4.30 -0.67 4.30 3.52 0.06 -0.53 118.95 129.03 1nyc s ARG 107 Ca 0.13 2.23 -0.27 0.00 -0.13 0.00 0.00 55.73 57.69 1nyc s ARG 107 Cb -0.11 -3.14 0.01 0.00 -1.56 0.00 0.00 34.95 30.15 1nyc s ARG 107 CO 0.03 -0.38 1.49 -0.51 -0.81 0.00 0.00 175.30 175.11 1nyc s LEU 108 N -0.21 3.24 0.00 -0.88 1.43 0.09 -4.89 118.68 117.46 1nyc s LEU 108 Ca 0.59 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.62 1nyc s LEU 108 Cb -0.40 -2.64 0.00 0.00 0.03 0.00 0.00 46.19 43.18 1nyc s LEU 108 CO 0.41 -1.99 0.00 0.55 0.23 0.00 0.00 176.35 175.55