#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jyc s ALA 2 N 0.00 2.31 -0.05 0.62 0.00 -1.26 -4.91 121.76 118.47 2jyc s ALA 2 Ca 0.00 -2.64 0.25 0.00 0.00 0.00 0.00 51.96 49.57 2jyc s ALA 2 Cb 0.00 -1.92 0.44 0.00 0.00 0.00 0.00 23.12 21.65 2jyc s ALA 2 CO 0.00 -2.02 1.16 0.45 0.00 0.00 0.00 175.76 175.35 2jyc n SER 3 N 3.59 1.13 -4.55 0.00 2.88 -1.26 -5.03 113.62 110.38 2jyc n SER 3 Ca 0.07 -2.05 -0.37 0.00 -1.33 0.00 0.00 58.87 55.19 2jyc n SER 3 Cb 0.35 -0.34 -0.03 0.00 -0.75 0.00 0.00 64.21 63.44 2jyc n SER 3 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2jyc s SER 4 N -2.34 5.10 -0.51 -3.46 1.04 -1.26 -4.84 113.70 107.42 2jyc s SER 4 Ca 0.33 0.39 0.07 0.00 0.48 0.00 0.00 55.95 57.22 2jyc s SER 4 Cb 0.38 -2.53 0.27 0.00 0.10 0.00 0.00 66.02 64.24 2jyc s SER 4 CO -0.14 -2.51 0.69 0.00 0.98 0.00 0.00 173.24 172.25 2jyc n LEU 5 N 13.46 2.23 -4.46 2.42 -0.00 -1.26 -5.00 117.00 124.40 2jyc n LEU 5 Ca 0.25 -5.15 -0.44 0.00 -0.00 0.00 0.00 56.01 50.67 2jyc n LEU 5 Cb 0.52 -0.03 -0.02 0.00 -0.00 0.00 0.00 43.42 43.89 2jyc n LEU 5 CO 0.70 2.12 1.08 0.54 -0.00 0.00 0.00 177.39 181.83 2jyc s ASN 6 N -2.12 6.69 0.37 1.45 4.22 -1.26 -5.01 114.94 119.28 2jyc s ASN 6 Ca 0.39 -2.15 -0.16 0.00 -2.14 0.00 0.00 52.86 48.81 2jyc s ASN 6 Cb 0.19 -2.41 -0.09 0.00 1.28 0.00 0.00 41.25 40.22 2jyc s ASN 6 CO -0.07 -1.04 0.80 -1.61 -2.04 0.00 0.00 177.10 173.14 2jyc s GLU 7 N 2.67 4.01 -0.38 3.55 2.02 -1.26 -5.04 118.70 124.27 2jyc s GLU 7 Ca 0.35 0.75 -0.11 0.00 0.02 0.00 0.00 54.97 55.99 2jyc s GLU 7 Cb -0.04 -2.35 0.04 0.00 0.10 0.00 0.00 34.13 31.87 2jyc s GLU 7 CO -0.08 0.06 0.21 0.34 0.02 0.00 0.00 175.26 175.81 2jyc s ASP 8 N -2.43 5.71 0.95 -0.19 2.15 -1.26 -5.09 116.67 116.51 2jyc s ASP 8 Ca 0.56 -1.09 -0.14 0.00 0.43 0.00 0.00 52.55 52.31 2jyc s ASP 8 Cb -0.10 -2.01 0.16 0.00 -0.30 0.00 0.00 42.92 40.67 2jyc s ASP 8 CO 0.19 -0.41 1.16 -2.16 -0.17 0.00 0.00 175.17 173.79 2jyc s PRO 9 N 1.53 0.82 -0.06 4.34 0.04 -1.26 -5.01 135.00 135.39 2jyc s PRO 9 Ca 0.02 0.13 -0.13 0.00 0.04 0.00 0.00 61.00 61.06 2jyc s PRO 9 Cb -0.20 -1.82 -0.08 0.00 0.04 0.00 0.00 34.50 32.44 2jyc s PRO 9 CO 0.06 -2.39 0.50 0.93 0.04 0.00 0.00 177.00 176.14 2jyc h GLU 10 N -1.63 -0.28 0.00 4.56 4.39 -2.03 -3.50 114.58 116.09 2jyc h GLU 10 Ca -0.49 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.23 2jyc h GLU 10 Cb 1.31 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 30.03 2jyc h GLU 10 CO 0.55 -0.07 0.00 0.41 -1.16 0.00 0.00 179.01 178.74 2jyc n GLY 11 N 0.90 -1.31 0.80 -3.84 0.00 -1.26 -5.13 105.19 95.36 2jyc n GLY 11 Ca -0.05 -2.04 0.08 0.00 0.00 0.00 0.00 46.02 44.01 2jyc n GLY 11 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jyc n SER 12 N 0.00 -4.35 0.10 1.61 2.88 -1.26 -4.33 113.62 108.26 2jyc n SER 12 Ca 0.00 0.85 -0.13 0.00 -1.33 0.00 0.00 58.87 58.26 2jyc n SER 12 Cb 0.00 -2.66 -0.08 0.00 -0.75 0.00 0.00 64.21 60.71 2jyc n SER 12 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 2jyc h ARG 13 N -0.63 -0.26 -5.13 -1.46 1.12 -1.90 -3.40 114.38 102.71 2jyc h ARG 13 Ca -0.09 0.02 -0.65 0.00 -1.11 0.00 0.00 59.98 58.15 2jyc h ARG 13 Cb 0.72 0.06 -0.25 0.00 -0.01 0.00 0.00 29.97 30.49 2jyc h ARG 13 CO 0.04 0.10 -0.70 0.42 -3.11 0.00 0.00 179.97 176.72 2jyc s ILE 14 N -4.34 3.61 -0.14 1.20 1.01 -1.26 -0.38 121.20 120.90 2jyc s ILE 14 Ca -0.14 -0.43 -0.07 0.00 0.00 0.00 0.00 60.65 60.00 2jyc s ILE 14 Cb 0.02 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.83 2jyc s ILE 14 CO 0.56 0.45 0.12 -0.89 0.00 0.00 0.00 174.94 175.18 2jyc s THR 15 N 0.99 5.33 -0.23 2.92 2.01 0.19 -4.97 115.64 121.89 2jyc s THR 15 Ca 0.00 0.15 -0.06 0.00 0.31 0.00 0.00 61.69 62.10 2jyc s THR 15 Cb -0.15 -3.35 -0.02 0.00 0.01 0.00 0.00 72.50 68.99 2jyc s THR 15 CO 0.01 0.56 0.02 -0.31 -0.69 0.00 0.00 174.62 174.21 2jyc s TYR 16 N -0.57 3.03 0.01 4.92 2.02 -1.26 0.28 117.35 125.78 2jyc s TYR 16 Ca 0.12 -0.63 0.04 0.00 -0.37 0.00 0.00 57.07 56.23 2jyc s TYR 16 Cb -0.12 -2.17 -0.01 0.00 -0.40 0.00 0.00 41.96 39.26 2jyc s TYR 16 CO 0.02 -0.42 -0.11 0.08 -1.57 0.00 0.00 175.55 173.55 2jyc s VAL 17 N 1.48 0.86 -0.27 0.71 1.01 0.42 -4.96 120.40 119.64 2jyc s VAL 17 Ca 0.06 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.29 2jyc s VAL 17 Cb -0.15 -0.76 0.01 0.00 0.00 0.00 0.00 36.38 35.48 2jyc s VAL 17 CO 0.01 0.07 0.02 -1.59 0.00 0.00 0.00 175.10 173.61 2jyc s LYS 18 N -0.70 3.05 0.00 2.72 0.00 -1.26 -0.27 119.74 123.28 2jyc s LYS 18 Ca 0.01 -0.86 0.00 0.00 0.00 0.00 0.00 55.97 55.12 2jyc s LYS 18 Cb -0.06 -3.21 0.00 0.00 0.00 0.00 0.00 37.83 34.56 2jyc s LYS 18 CO 0.00 -0.40 0.00 0.41 0.00 0.00 0.00 175.35 175.36 2jyc n GLY 19 N 4.80 -0.55 3.80 0.59 0.00 -1.26 -4.97 105.19 107.60 2jyc n GLY 19 Ca -0.16 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.59 2jyc n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2jyc s ASP 20 N -4.00 7.17 0.32 1.61 2.15 -1.26 -4.65 116.67 118.02 2jyc s ASP 20 Ca 0.00 1.39 0.26 0.00 0.43 0.00 0.00 52.55 54.63 2jyc s ASP 20 Cb 0.00 -2.41 0.82 0.00 -0.30 0.00 0.00 42.92 41.03 2jyc s ASP 20 CO 0.00 0.24 1.75 0.25 -0.17 0.00 0.00 175.17 177.25 2jyc h LEU 21 N 4.52 0.00 -0.26 -1.34 7.12 -1.97 -2.22 115.31 121.16 2jyc h LEU 21 Ca -0.49 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.52 2jyc h LEU 21 Cb 1.21 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.34 2jyc h LEU 21 CO 0.65 0.00 -0.48 0.49 -0.13 0.00 0.00 178.44 178.96 2jyc n PHE 22 N -2.57 0.00 0.39 1.25 3.72 -1.26 -3.71 117.46 115.27 2jyc n PHE 22 Ca 0.04 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.48 2jyc n PHE 22 Cb 0.39 -0.15 0.19 0.00 -0.94 0.00 0.00 39.48 38.97 2jyc n PHE 22 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2jyc n ALA 23 N -1.08 2.85 -1.66 4.37 0.00 -0.84 -4.93 120.51 119.24 2jyc n ALA 23 Ca 0.08 -0.83 -0.31 0.00 0.00 0.00 0.00 53.44 52.38 2jyc n ALA 23 Cb 0.35 -1.02 0.04 0.00 0.00 0.00 0.00 19.45 18.82 2jyc n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jyc n PRO 25 N -2.99 2.48 0.15 0.00 -0.02 -1.26 -4.87 135.00 128.49 2jyc n PRO 25 Ca 0.07 0.88 0.12 0.00 -2.02 0.00 0.00 63.50 62.55 2jyc n PRO 25 Cb 0.54 -2.60 0.56 0.00 -0.02 0.00 0.00 33.50 31.97 2jyc n PRO 25 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2jyc n LYS 26 N 1.64 0.18 0.11 -0.52 4.76 -1.26 -1.32 118.16 121.75 2jyc n LYS 26 Ca 0.08 0.54 0.13 0.00 -2.87 0.00 0.00 58.31 56.18 2jyc n LYS 26 Cb 0.36 -1.94 0.36 0.00 -1.84 0.00 0.00 35.03 31.97 2jyc n LYS 26 CO 0.00 0.00 0.00 1.15 -1.37 0.00 0.00 177.40 177.18 2jyc h THR 27 N 0.00 0.00 -3.16 -0.18 2.02 -1.99 -3.45 112.91 106.16 2jyc h THR 27 Ca 0.00 -0.52 -0.58 0.00 0.77 0.00 0.00 66.41 66.07 2jyc h THR 27 Cb 0.18 1.48 -0.04 0.00 -1.74 0.00 0.00 68.15 68.03 2jyc h THR 27 CO 0.00 0.00 -0.26 -1.81 0.37 0.00 0.00 175.52 173.82 2jyc s ASP 28 N -4.64 6.58 0.70 4.18 1.01 -0.43 -4.76 116.67 119.31 2jyc s ASP 28 Ca 0.10 0.72 0.01 0.00 0.71 0.00 0.00 52.55 54.09 2jyc s ASP 28 Cb 0.12 -2.15 0.13 0.00 1.01 0.00 0.00 42.92 42.03 2jyc s ASP 28 CO 0.62 0.10 0.93 -1.20 0.21 0.00 0.00 175.17 175.83 2jyc n SER 29 N 0.50 1.40 -4.41 0.27 7.64 -0.56 -4.77 113.62 113.68 2jyc n SER 29 Ca -0.05 -2.15 -0.25 0.00 1.01 0.00 0.00 58.87 57.43 2jyc n SER 29 Cb 0.52 -0.59 -0.11 0.00 -1.01 0.00 0.00 64.21 63.02 2jyc n SER 29 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jyc s LEU 30 N 0.00 2.46 -0.16 -3.43 1.43 -0.24 0.42 118.68 119.16 2jyc s LEU 30 Ca 0.63 -0.90 -0.15 0.00 -1.03 0.00 0.00 54.13 52.68 2jyc s LEU 30 Cb -0.04 -1.08 0.04 0.00 0.03 0.00 0.00 46.19 45.14 2jyc s LEU 30 CO 0.41 0.07 0.43 0.00 0.23 0.00 0.00 176.35 177.50 2jyc s ALA 31 N -1.91 -1.06 0.07 4.21 0.00 -1.12 0.14 121.76 122.08 2jyc s ALA 31 Ca 0.21 1.20 -0.07 0.00 0.00 0.00 0.00 51.96 53.30 2jyc s ALA 31 Cb -0.07 -0.69 -0.01 0.00 0.00 0.00 0.00 23.12 22.35 2jyc s ALA 31 CO 0.10 -0.21 0.15 -1.58 0.00 0.00 0.00 175.76 174.23 2jyc s HIS 32 N 0.20 0.18 -0.15 0.00 5.04 0.11 -4.15 115.29 116.51 2jyc s HIS 32 Ca -0.00 -0.56 -0.11 0.00 -1.54 0.00 0.00 55.06 52.84 2jyc s HIS 32 Cb -0.03 -0.10 -0.05 0.00 0.04 0.00 0.00 32.58 32.44 2jyc s HIS 32 CO 0.01 -0.47 0.21 0.00 -2.34 0.00 0.00 174.74 172.15 2jyc s ILE 34 N -0.01 0.00 0.46 0.00 -4.36 0.19 -4.88 121.20 112.59 2jyc s ILE 34 Ca 0.14 -1.76 0.02 0.00 -0.26 0.00 0.00 60.65 58.78 2jyc s ILE 34 Cb -0.12 -2.42 0.01 0.00 1.25 0.00 0.00 42.46 41.17 2jyc s ILE 34 CO 0.03 0.00 0.67 -0.94 0.24 0.00 0.00 174.94 174.93 2jyc s SER 35 N -3.14 5.71 0.30 4.36 1.04 -1.26 -0.63 113.70 120.08 2jyc s SER 35 Ca 0.33 0.13 0.11 0.00 0.48 0.00 0.00 55.95 56.99 2jyc s SER 35 Cb 0.03 -1.30 0.45 0.00 0.10 0.00 0.00 66.02 65.31 2jyc s SER 35 CO 0.13 -0.78 1.67 1.05 0.98 0.00 0.00 173.24 176.29 2jyc h GLU 36 N 0.39 0.00 0.00 4.02 -0.00 -0.76 -0.67 114.58 117.56 2jyc h GLU 36 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.91 2jyc h GLU 36 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.01 2jyc h GLU 36 CO 0.55 0.55 0.00 -0.25 -0.00 0.00 0.00 179.01 179.86 2jyc n ASP 37 N -3.88 0.65 -2.62 3.06 8.00 -1.21 -4.77 116.55 115.78 2jyc n ASP 37 Ca -0.01 0.64 -0.20 0.00 0.71 0.00 0.00 54.79 55.92 2jyc n ASP 37 Cb 0.56 -0.78 0.02 0.00 -0.02 0.00 0.00 41.12 40.90 2jyc n ASP 37 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jyc h ARG 39 N -0.91 0.64 0.00 0.00 2.47 -1.90 -3.46 114.38 111.22 2jyc h ARG 39 Ca -0.48 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 58.20 2jyc h ARG 39 Cb 1.34 -0.14 0.00 0.00 -1.65 0.00 0.00 29.97 29.52 2jyc h ARG 39 CO 0.53 0.42 0.00 -1.33 0.56 0.00 0.00 179.97 180.15 2jyc n MET 40 N -4.82 0.00 0.00 0.04 2.81 -1.26 -4.81 117.12 109.08 2jyc n MET 40 Ca 0.10 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.99 2jyc n MET 40 Cb 0.22 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.73 2jyc n MET 40 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jyc n GLY 41 N 0.00 0.96 3.46 3.03 0.00 -1.26 -4.85 105.19 106.53 2jyc n GLY 41 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2jyc n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jyc s ALA 42 N -0.23 -0.23 0.00 4.61 0.00 -1.26 -4.99 121.76 119.66 2jyc s ALA 42 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.18 2jyc s ALA 42 Cb 0.00 0.95 0.00 0.00 0.00 0.00 0.00 23.12 24.07 2jyc s ALA 42 CO 0.00 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.42 2jyc n GLY 43 N -0.30 1.94 0.16 0.00 0.00 -1.26 -3.00 105.19 102.72 2jyc n GLY 43 Ca -0.05 -0.42 0.13 0.00 0.00 0.00 0.00 46.02 45.68 2jyc n GLY 43 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2jyc h ILE 44 N 0.00 0.00 -0.06 -0.61 2.10 -1.98 -2.55 117.51 114.41 2jyc h ILE 44 Ca 0.00 -0.48 -0.07 0.00 1.08 0.00 0.00 64.86 65.39 2jyc h ILE 44 Cb 0.00 1.39 -0.01 0.00 -1.09 0.00 0.00 36.82 37.11 2jyc h ILE 44 CO 0.00 0.00 -0.30 0.00 -1.08 0.00 0.00 178.15 176.77 2jyc h ALA 45 N 2.28 1.39 -0.14 0.18 0.00 -1.90 0.32 119.26 121.38 2jyc h ALA 45 Ca 0.00 -0.31 -0.14 0.00 0.00 0.00 0.00 54.91 54.46 2jyc h ALA 45 Cb 0.62 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2jyc h ALA 45 CO 0.00 0.44 -0.53 0.28 0.00 0.00 0.00 179.25 179.44 2jyc h VAL 46 N 0.10 1.34 -0.34 0.00 2.07 -1.36 -2.13 116.25 115.92 2jyc h VAL 46 Ca 0.01 -1.79 -0.10 0.00 0.82 0.00 0.00 66.70 65.65 2jyc h VAL 46 Cb 0.59 1.81 -0.02 0.00 -1.52 0.00 0.00 31.29 32.16 2jyc h VAL 46 CO 0.04 0.54 -0.18 -0.07 0.02 0.00 0.00 177.57 177.92 2jyc h LEU 47 N 0.31 0.64 -0.77 2.57 3.38 -1.12 -0.93 115.31 119.40 2jyc h LEU 47 Ca 0.01 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 2jyc h LEU 47 Cb 1.03 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 2jyc h LEU 47 CO 0.09 0.83 0.45 -0.26 0.09 0.00 0.00 178.44 179.63 2jyc h PHE 48 N 0.57 1.03 -0.56 1.13 0.04 -0.18 0.24 116.94 119.22 2jyc h PHE 48 Ca 0.09 -0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.87 2jyc h PHE 48 Cb 0.63 -0.33 -0.03 0.00 2.20 0.00 0.00 35.95 38.42 2jyc h PHE 48 CO 0.03 0.71 0.34 0.87 -0.60 0.00 0.00 178.31 179.66 2jyc h LYS 49 N 1.06 0.66 0.03 1.51 1.57 -0.86 0.11 116.57 120.65 2jyc h LYS 49 Ca 0.27 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2jyc h LYS 49 Cb -0.01 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.15 2jyc h LYS 49 CO -0.05 0.44 -0.02 0.87 -0.57 0.00 0.00 179.45 180.12 2jyc h LYS 50 N 0.68 -0.04 0.19 3.15 1.57 -0.58 -2.12 116.57 119.42 2jyc h LYS 50 Ca 0.22 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.73 2jyc h LYS 50 Cb 0.00 0.01 0.03 0.00 0.08 0.00 0.00 32.23 32.35 2jyc h LYS 50 CO -0.09 0.26 -1.24 0.87 -0.57 0.00 0.00 179.45 178.68 2jyc h LYS 51 N -0.34 0.41 0.00 3.15 1.57 -0.55 -3.38 116.57 117.42 2jyc h LYS 51 Ca -0.00 -0.70 -0.14 0.00 -1.87 0.00 0.00 60.65 57.94 2jyc h LYS 51 Cb 0.32 0.26 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 2jyc h LYS 51 CO 0.01 1.33 -1.70 1.19 -0.57 0.00 0.00 179.45 179.71 2jyc n PHE 52 N -3.89 0.55 -4.01 -1.35 3.01 0.01 -4.98 117.46 106.81 2jyc n PHE 52 Ca -0.17 0.18 -0.30 0.00 1.01 0.00 0.00 57.45 58.16 2jyc n PHE 52 Cb 0.97 -0.91 -0.00 0.00 -0.01 0.00 0.00 39.48 39.53 2jyc n PHE 52 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jyc n GLY 53 N 1.40 -0.40 1.43 1.37 0.00 -0.79 -4.88 105.19 103.32 2jyc n GLY 53 Ca -0.12 0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 2jyc n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jyc n GLY 54 N -1.65 5.59 0.23 -0.02 0.00 -1.26 -4.70 105.19 103.37 2jyc n GLY 54 Ca -0.06 -1.85 -0.13 0.00 0.00 0.00 0.00 46.02 43.97 2jyc n GLY 54 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2jyc h VAL 55 N 1.42 1.29 -0.38 1.61 2.07 -1.90 -1.13 116.25 119.24 2jyc h VAL 55 Ca 0.25 -1.83 -0.09 0.00 0.82 0.00 0.00 66.70 65.85 2jyc h VAL 55 Cb 1.38 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 32.91 2jyc h VAL 55 CO 0.53 0.58 -0.15 -0.61 0.02 0.00 0.00 177.57 177.94 2jyc h GLN 56 N 0.55 0.69 -0.09 1.57 4.15 -1.98 0.14 115.11 120.14 2jyc h GLN 56 Ca -0.00 -0.24 -0.00 0.00 0.77 0.00 0.00 58.65 59.18 2jyc h GLN 56 Cb 1.20 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.83 2jyc h GLN 56 CO 0.13 0.81 0.05 0.93 -1.93 0.00 0.00 178.83 178.82 2jyc h GLU 57 N 0.62 0.12 -0.65 1.69 5.08 -1.84 0.20 114.58 119.81 2jyc h GLU 57 Ca 0.10 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2jyc h GLU 57 Cb 0.61 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.80 2jyc h GLU 57 CO 0.04 0.12 0.41 -0.07 -1.00 0.00 0.00 179.01 178.52 2jyc h LEU 58 N 0.08 0.75 -0.12 1.33 3.38 -0.60 0.20 115.31 120.33 2jyc h LEU 58 Ca 0.03 -0.03 -0.24 0.00 0.09 0.00 0.00 57.88 57.74 2jyc h LEU 58 Cb 0.03 -0.19 0.01 0.00 0.09 0.00 0.00 40.66 40.60 2jyc h LEU 58 CO -0.01 0.56 -0.98 -0.07 0.09 0.00 0.00 178.44 178.03 2jyc h LEU 59 N 0.88 0.61 -0.89 1.67 3.38 -0.42 0.12 115.31 120.65 2jyc h LEU 59 Ca 0.24 -0.50 -0.06 0.00 0.09 0.00 0.00 57.88 57.65 2jyc h LEU 59 Cb -0.08 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.46 2jyc h LEU 59 CO -0.05 1.30 0.18 0.78 0.09 0.00 0.00 178.44 180.74 2jyc h ASN 60 N 0.26 0.93 0.94 -0.43 2.35 -0.09 -1.94 115.58 117.59 2jyc h ASN 60 Ca -0.09 -0.17 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 2jyc h ASN 60 Cb 1.62 -0.24 0.00 0.00 0.05 0.00 0.00 38.32 39.75 2jyc h ASN 60 CO 0.17 0.89 0.00 0.00 -1.65 0.00 0.00 177.43 176.84 2jyc n GLN 61 N -4.26 0.05 0.00 0.81 6.02 0.65 -4.91 117.38 115.75 2jyc n GLN 61 Ca 0.05 0.12 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 2jyc n GLN 61 Cb 0.23 -1.57 0.00 0.00 1.02 0.00 0.00 30.24 29.92 2jyc n GLN 61 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jyc n GLN 62 N -1.67 0.00 -0.68 -1.09 10.64 0.02 -4.88 117.38 119.72 2jyc n GLN 62 Ca 0.06 0.00 0.03 0.00 -1.83 0.00 0.00 57.00 55.26 2jyc n GLN 62 Cb 0.31 0.00 -0.01 0.00 -0.86 0.00 0.00 30.24 29.67 2jyc n GLN 62 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2jyc n LYS 63 N 0.00 -0.61 -4.28 2.61 4.01 -1.26 -4.74 118.16 113.89 2jyc n LYS 63 Ca 0.00 0.47 -0.15 0.00 -0.51 0.00 0.00 58.31 58.12 2jyc n LYS 63 Cb 0.00 -1.13 -0.10 0.00 -0.51 0.00 0.00 35.03 33.29 2jyc n LYS 63 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2jyc s LYS 64 N -3.60 1.32 -0.13 1.97 -0.14 -1.26 -4.85 119.74 113.05 2jyc s LYS 64 Ca 0.00 -1.70 -0.29 0.00 -1.36 0.00 0.00 55.97 52.62 2jyc s LYS 64 Cb 0.00 -0.18 -0.05 0.00 -1.68 0.00 0.00 37.83 35.92 2jyc s LYS 64 CO 0.00 -0.28 1.80 -1.54 -0.76 0.00 0.00 175.35 174.57 2jyc s SER 65 N -3.26 6.30 0.00 2.83 1.04 -1.26 -1.36 113.70 117.98 2jyc s SER 65 Ca 0.35 2.02 0.00 0.00 0.48 0.00 0.00 55.95 58.81 2jyc s SER 65 Cb 0.07 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.67 2jyc s SER 65 CO 0.11 -1.26 0.00 0.61 0.98 0.00 0.00 173.24 173.68 2jyc n GLY 66 N 4.71 0.91 3.58 7.32 0.00 0.26 -5.00 105.19 116.97 2jyc n GLY 66 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 2jyc n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jyc s GLU 67 N -0.52 2.04 -0.00 1.61 0.41 -0.46 -3.65 118.70 118.12 2jyc s GLU 67 Ca 0.00 -1.59 0.07 0.00 -0.41 0.00 0.00 54.97 53.04 2jyc s GLU 67 Cb 0.00 -1.99 -0.02 0.00 -1.78 0.00 0.00 34.13 30.35 2jyc s GLU 67 CO 0.00 0.32 -0.21 0.54 -0.49 0.00 0.00 175.26 175.42 2jyc s VAL 68 N -2.42 1.69 -0.04 2.63 0.11 -1.26 -0.56 120.40 120.55 2jyc s VAL 68 Ca 0.31 -0.97 -0.05 0.00 -2.93 0.00 0.00 61.98 58.34 2jyc s VAL 68 Cb -0.05 -1.42 -0.04 0.00 -1.53 0.00 0.00 36.38 33.34 2jyc s VAL 68 CO 0.18 0.43 0.18 0.00 -3.33 0.00 0.00 175.10 172.56 2jyc s ALA 69 N -0.56 3.92 -0.07 1.54 0.00 0.27 -4.89 121.76 121.97 2jyc s ALA 69 Ca 0.08 -0.70 0.05 0.00 0.00 0.00 0.00 51.96 51.40 2jyc s ALA 69 Cb -0.08 -1.94 -0.01 0.00 0.00 0.00 0.00 23.12 21.09 2jyc s ALA 69 CO -0.00 0.69 -0.24 0.08 0.00 0.00 0.00 175.76 176.29 2jyc s VAL 70 N -1.23 2.00 -0.04 0.00 1.01 -1.26 -0.64 120.40 120.25 2jyc s VAL 70 Ca 0.24 -1.02 0.04 0.00 0.00 0.00 0.00 61.98 61.23 2jyc s VAL 70 Cb -0.13 -1.70 -0.00 0.00 0.00 0.00 0.00 36.38 34.55 2jyc s VAL 70 CO 0.14 0.55 -0.16 -0.76 0.00 0.00 0.00 175.10 174.87 2jyc s LEU 71 N -0.01 1.89 -0.26 3.92 1.43 -0.03 -4.95 118.68 120.68 2jyc s LEU 71 Ca -0.08 -0.33 -0.10 0.00 -1.03 0.00 0.00 54.13 52.59 2jyc s LEU 71 Cb -0.15 -0.91 -0.05 0.00 0.03 0.00 0.00 46.19 45.12 2jyc s LEU 71 CO 0.05 0.14 0.16 -0.75 0.23 0.00 0.00 176.35 176.18 2jyc s LYS 72 N 0.06 3.99 -0.22 1.70 2.20 -1.26 0.54 119.74 126.76 2jyc s LYS 72 Ca -0.04 -0.31 0.02 0.00 -0.36 0.00 0.00 55.97 55.29 2jyc s LYS 72 Cb -0.11 -3.57 0.04 0.00 -1.51 0.00 0.00 37.83 32.68 2jyc s LYS 72 CO 0.02 -0.05 -0.15 0.50 -0.36 0.00 0.00 175.35 175.30 2jyc s ARG 73 N 1.37 2.59 0.00 4.03 6.06 0.96 -4.89 118.95 129.08 2jyc s ARG 73 Ca 0.07 -1.05 0.00 0.00 -2.50 0.00 0.00 55.73 52.25 2jyc s ARG 73 Cb -0.15 -2.69 0.00 0.00 0.06 0.00 0.00 34.95 32.17 2jyc s ARG 73 CO 0.07 -0.38 0.00 -0.25 -2.50 0.00 0.00 175.30 172.24 2jyc n ASP 74 N 4.54 0.00 0.00 -2.12 8.00 -1.26 -0.75 116.55 124.97 2jyc n ASP 74 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 2jyc n ASP 74 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.56 2jyc n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2jyc n GLY 75 N 0.00 0.76 3.50 0.44 0.00 -1.26 -5.13 105.19 103.50 2jyc n GLY 75 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 2jyc n GLY 75 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2jyc s ARG 76 N 0.00 1.73 0.02 1.61 1.70 0.07 -5.12 118.95 118.96 2jyc s ARG 76 Ca 0.00 -1.88 0.00 0.00 -0.47 0.00 0.00 55.73 53.39 2jyc s ARG 76 Cb 0.00 -1.55 -0.04 0.00 -0.57 0.00 0.00 34.95 32.79 2jyc s ARG 76 CO 0.00 0.13 0.09 0.71 -1.08 0.00 0.00 175.30 175.15 2jyc s TYR 77 N -2.71 3.27 -0.15 5.89 2.02 -1.26 -0.02 117.35 124.38 2jyc s TYR 77 Ca 0.31 0.18 0.00 0.00 -0.37 0.00 0.00 57.07 57.19 2jyc s TYR 77 Cb 0.02 -1.71 -0.00 0.00 -0.40 0.00 0.00 41.96 39.87 2jyc s TYR 77 CO 0.15 0.54 -0.15 0.42 -1.57 0.00 0.00 175.55 174.94 2jyc s ILE 78 N -1.25 2.66 -0.11 2.71 -1.09 0.19 -1.08 121.20 123.21 2jyc s ILE 78 Ca 0.25 -0.77 -0.02 0.00 -2.23 0.00 0.00 60.65 57.88 2jyc s ILE 78 Cb -0.12 -2.12 -0.03 0.00 -1.58 0.00 0.00 42.46 38.61 2jyc s ILE 78 CO 0.16 0.52 -0.05 -0.31 -1.23 0.00 0.00 174.94 174.03 2jyc s TYR 79 N 0.82 3.01 -0.32 3.97 2.02 0.12 -0.85 117.35 126.12 2jyc s TYR 79 Ca -0.05 -0.13 0.03 0.00 -0.37 0.00 0.00 57.07 56.55 2jyc s TYR 79 Cb -0.15 -1.85 0.09 0.00 -0.40 0.00 0.00 41.96 39.65 2jyc s TYR 79 CO -0.00 0.16 0.02 0.71 -1.57 0.00 0.00 175.55 174.87 2jyc s TYR 80 N -0.22 3.50 -0.18 2.71 1.51 0.19 0.06 117.35 124.92 2jyc s TYR 80 Ca 0.04 -2.76 -0.29 0.00 -1.01 0.00 0.00 57.07 53.05 2jyc s TYR 80 Cb -0.13 -2.62 -0.02 0.00 -0.11 0.00 0.00 41.96 39.08 2jyc s TYR 80 CO 0.02 -0.93 1.37 -0.51 -1.11 0.00 0.00 175.55 174.40 2jyc s LEU 81 N 1.00 4.11 -0.65 -1.29 2.01 0.14 -0.57 118.68 123.43 2jyc s LEU 81 Ca 0.07 1.67 -0.24 0.00 0.01 0.00 0.00 54.13 55.64 2jyc s LEU 81 Cb -0.19 -3.54 0.05 0.00 0.01 0.00 0.00 46.19 42.53 2jyc s LEU 81 CO -0.08 -0.91 1.04 -0.63 1.01 0.00 0.00 176.35 176.78 2jyc s ILE 82 N 3.96 4.18 -0.12 -0.59 -1.09 0.27 0.53 121.20 128.34 2jyc s ILE 82 Ca 0.60 0.02 -0.23 0.00 -2.23 0.00 0.00 60.65 58.80 2jyc s ILE 82 Cb -0.23 -4.71 -0.21 0.00 -1.58 0.00 0.00 42.46 35.73 2jyc s ILE 82 CO 0.20 -1.47 0.69 0.74 -1.23 0.00 0.00 174.94 173.87 2jyc h THR 83 N 6.00 1.40 -4.67 2.92 2.02 -1.16 0.76 112.91 120.19 2jyc h THR 83 Ca -0.28 -1.95 -0.33 0.00 0.77 0.00 0.00 66.41 64.63 2jyc h THR 83 Cb 1.07 2.61 -0.14 0.00 -1.74 0.00 0.00 68.15 69.94 2jyc h THR 83 CO 1.19 0.46 -0.54 -0.54 0.37 0.00 0.00 175.52 176.46 2jyc s LYS 84 N -2.36 1.46 0.01 6.66 -0.14 -1.26 -4.36 119.74 119.75 2jyc s LYS 84 Ca -0.15 -1.78 -0.23 0.00 -1.36 0.00 0.00 55.97 52.45 2jyc s LYS 84 Cb -0.02 0.31 -0.13 0.00 -1.68 0.00 0.00 37.83 36.31 2jyc s LYS 84 CO 0.56 -0.52 1.02 0.87 -0.76 0.00 0.00 175.35 176.53 2jyc h LYS 85 N 2.40 -0.81 -6.34 1.68 1.57 -1.93 -2.46 116.57 110.68 2jyc h LYS 85 Ca -0.31 0.06 -0.51 0.00 -1.87 0.00 0.00 60.65 58.01 2jyc h LYS 85 Cb 1.24 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.73 2jyc h LYS 85 CO 0.45 -0.54 -0.27 1.03 -0.57 0.00 0.00 179.45 179.55 2jyc s ARG 86 N -4.34 3.52 0.38 3.15 1.81 -1.26 -1.48 118.95 120.72 2jyc s ARG 86 Ca -0.12 -0.32 0.19 0.00 -1.72 0.00 0.00 55.73 53.76 2jyc s ARG 86 Cb 0.01 -2.77 0.66 0.00 -0.45 0.00 0.00 34.95 32.40 2jyc s ARG 86 CO 0.37 0.31 1.72 0.00 -0.68 0.00 0.00 175.30 177.02 2jyc h ALA 87 N 1.56 0.97 -0.00 2.13 0.00 -1.95 -2.44 119.26 119.54 2jyc h ALA 87 Ca -0.49 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.09 2jyc h ALA 87 Cb 1.20 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2jyc h ALA 87 CO 0.65 0.46 -0.00 0.43 0.00 0.00 0.00 179.25 180.79 2jyc n SER 88 N -3.48 0.05 -4.82 0.00 7.64 -1.26 -4.84 113.62 106.91 2jyc n SER 88 Ca 0.00 -1.00 -0.33 0.00 1.01 0.00 0.00 58.87 58.55 2jyc n SER 88 Cb 0.52 -0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.67 2jyc n SER 88 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2jyc s HIS 89 N -2.01 3.24 -0.07 1.43 3.76 -0.92 -5.03 115.29 115.70 2jyc s HIS 89 Ca 0.47 1.56 -0.25 0.00 -0.15 0.00 0.00 55.06 56.70 2jyc s HIS 89 Cb 0.22 -2.90 -0.03 0.00 1.11 0.00 0.00 32.58 30.97 2jyc s HIS 89 CO 0.37 -0.43 0.78 -1.59 -0.85 0.00 0.00 174.74 173.02 2jyc s LYS 90 N -3.47 4.44 0.28 1.40 -2.85 -1.26 -4.98 119.74 113.30 2jyc s LYS 90 Ca 0.63 1.01 -0.29 0.00 -1.00 0.00 0.00 55.97 56.31 2jyc s LYS 90 Cb -0.12 -3.47 -0.10 0.00 -2.06 0.00 0.00 37.83 32.08 2jyc s LYS 90 CO 0.21 -0.02 1.38 -1.25 0.10 0.00 0.00 175.35 175.77 2jyc s PRO 91 N 1.05 4.30 0.19 1.78 0.04 -1.26 -4.92 135.00 136.18 2jyc s PRO 91 Ca 0.41 2.26 0.08 0.00 0.04 0.00 0.00 61.00 63.79 2jyc s PRO 91 Cb -0.18 -3.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.22 2jyc s PRO 91 CO 0.19 -0.33 -0.05 0.95 0.04 0.00 0.00 177.00 177.80 2jyc s THR 92 N -0.45 3.41 0.12 1.26 -4.23 -1.26 -4.92 115.64 109.57 2jyc s THR 92 Ca 0.55 -1.61 -0.21 0.00 -1.18 0.00 0.00 61.69 59.25 2jyc s THR 92 Cb -0.41 -2.72 -0.07 0.00 1.34 0.00 0.00 72.50 70.65 2jyc s THR 92 CO 0.47 -0.14 1.72 1.88 -0.54 0.00 0.00 174.62 178.01 2jyc h TYR 93 N 2.70 -0.03 -0.41 3.99 0.05 -1.98 0.29 116.97 121.57 2jyc h TYR 93 Ca -0.46 0.01 -0.03 0.00 0.05 0.00 0.00 58.73 58.30 2jyc h TYR 93 Cb 1.21 0.04 -0.02 0.00 1.01 0.00 0.00 36.73 38.97 2jyc h TYR 93 CO 0.65 -0.03 0.14 1.49 -1.05 0.00 0.00 178.16 179.35 2jyc h GLU 94 N 0.03 0.64 0.01 4.88 4.81 -1.97 0.20 114.58 123.18 2jyc h GLU 94 Ca 0.07 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2jyc h GLU 94 Cb 0.09 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2jyc h GLU 94 CO -0.13 0.63 -0.00 -0.91 -0.73 0.00 0.00 179.01 177.87 2jyc h ASN 95 N 0.53 -0.01 -0.47 1.04 4.21 -1.82 0.21 115.58 119.27 2jyc h ASN 95 Ca 0.13 -0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.63 2jyc h ASN 95 Cb 0.25 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.43 2jyc h ASN 95 CO -0.01 -0.00 0.25 0.25 -1.29 0.00 0.00 177.43 176.63 2jyc h LEU 96 N -0.01 0.59 -0.26 1.61 5.85 -0.80 -1.80 115.31 120.48 2jyc h LEU 96 Ca -0.00 -0.10 0.06 0.00 0.84 0.00 0.00 57.88 58.68 2jyc h LEU 96 Cb 0.01 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 40.83 2jyc h LEU 96 CO 0.00 0.51 -0.12 -0.61 -0.34 0.00 0.00 178.44 177.88 2jyc h GLN 97 N 0.61 -0.08 -0.20 1.25 4.15 -0.21 -0.44 115.11 120.19 2jyc h GLN 97 Ca 0.16 0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.52 2jyc h GLN 97 Cb 0.06 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 2jyc h GLN 97 CO -0.03 -0.06 -0.17 0.87 -1.93 0.00 0.00 178.83 177.51 2jyc h LYS 98 N -0.09 0.34 -0.27 1.69 1.57 -0.44 -1.81 116.57 117.56 2jyc h LYS 98 Ca 0.14 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.76 2jyc h LYS 98 Cb 0.29 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 2jyc h LYS 98 CO -0.32 0.51 -0.05 0.77 -0.57 0.00 0.00 179.45 179.79 2jyc h SER 99 N 0.31 0.52 -0.84 0.86 0.02 -0.44 -2.41 113.55 111.56 2jyc h SER 99 Ca 0.06 -0.36 0.02 0.00 -0.84 0.00 0.00 61.79 60.68 2jyc h SER 99 Cb 0.49 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.85 2jyc h SER 99 CO 0.03 0.75 0.55 -0.07 -1.14 0.00 0.00 176.83 176.96 2jyc h LEU 100 N 0.27 0.92 -0.16 5.07 -0.00 -0.64 -2.32 115.31 118.46 2jyc h LEU 100 Ca 0.07 -0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 57.93 2jyc h LEU 100 Cb 0.52 -0.22 -0.01 0.00 -0.00 0.00 0.00 40.66 40.95 2jyc h LEU 100 CO 0.02 0.65 0.08 -0.33 -0.00 0.00 0.00 178.44 178.87 2jyc h GLU 101 N 1.08 0.23 -0.82 1.13 5.08 -1.20 -0.99 114.58 119.10 2jyc h GLU 101 Ca 0.32 -0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.76 2jyc h GLU 101 Cb -0.03 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.12 2jyc h GLU 101 CO -0.09 0.26 0.53 0.00 -1.00 0.00 0.00 179.01 178.71 2jyc h ALA 102 N 0.96 1.77 0.29 3.43 0.00 -1.05 -0.24 119.26 124.42 2jyc h ALA 102 Ca 0.06 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2jyc h ALA 102 Cb 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2jyc h ALA 102 CO -0.01 0.06 -0.14 0.52 0.00 0.00 0.00 179.25 179.68 2jyc h MET 103 N 0.74 -0.38 -0.09 0.00 2.86 -0.93 -2.95 114.93 114.19 2jyc h MET 103 Ca 0.38 0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 58.05 2jyc h MET 103 Cb 0.49 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.24 2jyc h MET 103 CO -0.15 -0.03 0.05 1.57 1.06 0.00 0.00 176.91 179.40 2jyc h LYS 104 N -0.82 0.11 -0.53 1.72 5.09 -0.66 0.15 116.57 121.63 2jyc h LYS 104 Ca -0.04 -0.01 -0.12 0.00 0.09 0.00 0.00 60.65 60.58 2jyc h LYS 104 Cb 0.51 -0.03 -0.02 0.00 0.10 0.00 0.00 32.23 32.80 2jyc h LYS 104 CO 0.07 0.09 -0.13 0.77 -2.09 0.00 0.00 179.45 178.16 2jyc h SER 105 N 0.12 1.02 0.02 7.07 0.02 -1.12 -2.98 113.55 117.70 2jyc h SER 105 Ca 0.03 -0.36 -0.26 0.00 -0.84 0.00 0.00 61.79 60.37 2jyc h SER 105 Cb 0.01 -0.28 0.02 0.00 0.14 0.00 0.00 62.40 62.28 2jyc h SER 105 CO -0.01 1.15 -0.99 -0.74 -1.14 0.00 0.00 176.83 175.10 2jyc h HIS 106 N 0.89 1.01 -0.47 3.45 -0.00 -0.82 -3.21 115.15 116.00 2jyc h HIS 106 Ca 0.13 -0.53 0.04 0.00 -0.00 0.00 0.00 60.37 60.01 2jyc h HIS 106 Cb 0.70 -0.12 -0.03 0.00 -0.00 0.00 0.00 27.41 27.96 2jyc h HIS 106 CO 0.05 1.36 0.31 0.00 -0.00 0.00 0.00 177.93 179.65 2jyc h LEU 108 N 0.50 0.78 -1.03 0.00 3.38 -1.52 0.29 115.31 117.71 2jyc h LEU 108 Ca 0.19 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2jyc h LEU 108 Cb 0.14 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2jyc h LEU 108 CO -0.05 0.68 0.00 0.11 0.09 0.00 0.00 178.44 179.27 2jyc h LYS 109 N 0.82 0.00 -0.07 1.13 1.57 -1.39 -2.92 116.57 115.71 2jyc h LYS 109 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 2jyc h LYS 109 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2jyc h LYS 109 CO -0.03 0.00 0.00 0.09 -0.57 0.00 0.00 179.45 178.94 2jyc n ASN 110 N -2.80 1.83 -3.18 0.86 3.02 -1.01 -4.98 115.26 109.00 2jyc n ASN 110 Ca 0.02 -1.50 -0.19 0.00 -0.03 0.00 0.00 54.58 52.88 2jyc n ASN 110 Cb 0.31 -0.04 0.07 0.00 -0.61 0.00 0.00 39.78 39.51 2jyc n ASN 110 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2jyc n GLY 111 N 0.24 -0.33 3.30 7.41 0.00 -0.18 -4.95 105.19 110.69 2jyc n GLY 111 Ca 0.04 0.11 -0.45 0.00 0.00 0.00 0.00 46.02 45.72 2jyc n GLY 111 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jyc s VAL 112 N -3.29 5.11 -0.63 1.61 1.01 0.84 -4.81 120.40 120.25 2jyc s VAL 112 Ca 0.37 -1.52 0.11 0.00 0.00 0.00 0.00 61.98 60.94 2jyc s VAL 112 Cb -0.16 -4.28 0.31 0.00 0.00 0.00 0.00 36.38 32.24 2jyc s VAL 112 CO 0.64 -0.85 1.25 1.07 0.00 0.00 0.00 175.10 177.20 2jyc n THR 113 N 5.22 1.28 -3.94 3.92 5.66 -1.26 -4.60 114.28 120.55 2jyc n THR 113 Ca -0.13 -1.21 -0.26 0.00 -3.05 0.00 0.00 64.05 59.40 2jyc n THR 113 Cb 0.40 0.33 -0.17 0.00 -1.55 0.00 0.00 70.33 69.34 2jyc n THR 113 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 2jyc s ASP 114 N -1.24 1.98 0.01 1.09 1.01 -1.26 -0.13 116.67 118.13 2jyc s ASP 114 Ca 0.24 -0.25 0.00 0.00 0.71 0.00 0.00 52.55 53.25 2jyc s ASP 114 Cb 0.15 -0.75 -0.01 0.00 1.01 0.00 0.00 42.92 43.32 2jyc s ASP 114 CO 0.12 -0.12 -0.02 -0.76 0.21 0.00 0.00 175.17 174.59 2jyc s LEU 115 N 1.66 2.13 -0.05 1.23 1.43 0.49 -1.50 118.68 124.06 2jyc s LEU 115 Ca 0.03 -0.28 0.02 0.00 -1.03 0.00 0.00 54.13 52.86 2jyc s LEU 115 Cb -0.13 0.01 0.02 0.00 0.03 0.00 0.00 46.19 46.12 2jyc s LEU 115 CO -0.06 -0.15 -0.07 -0.94 0.23 0.00 0.00 176.35 175.36 2jyc s SER 116 N -0.81 1.19 -0.02 2.29 1.04 0.17 0.80 113.70 118.36 2jyc s SER 116 Ca -0.08 -0.18 -0.07 0.00 0.48 0.00 0.00 55.95 56.10 2jyc s SER 116 Cb -0.06 -0.56 0.01 0.00 0.10 0.00 0.00 66.02 65.51 2jyc s SER 116 CO -0.00 -0.02 0.15 0.00 0.98 0.00 0.00 173.24 174.35 2jyc s MET 117 N 0.79 0.41 0.62 4.02 0.23 0.56 -2.81 119.30 123.12 2jyc s MET 117 Ca -0.12 -0.20 -0.09 0.00 -1.03 0.00 0.00 55.69 54.25 2jyc s MET 117 Cb -0.15 0.17 -0.00 0.00 -1.53 0.00 0.00 34.83 33.32 2jyc s MET 117 CO 0.01 -0.09 0.98 -1.25 -2.03 0.00 0.00 175.02 172.65 2jyc s PRO 118 N -0.94 3.11 -0.96 3.16 0.04 -1.26 -0.75 135.00 137.40 2jyc s PRO 118 Ca -0.10 0.33 -0.25 0.00 0.04 0.00 0.00 61.00 61.02 2jyc s PRO 118 Cb -0.06 -2.16 -0.24 0.00 0.04 0.00 0.00 34.50 32.09 2jyc s PRO 118 CO 0.01 -0.73 2.54 -2.13 0.04 0.00 0.00 177.00 176.73 2jyc n ARG 119 N -2.72 0.09 0.00 4.56 0.63 -0.97 -4.71 116.66 113.54 2jyc n ARG 119 Ca 0.05 -0.02 0.11 0.00 -0.92 0.00 0.00 57.85 57.07 2jyc n ARG 119 Cb 0.56 -1.58 0.06 0.00 0.45 0.00 0.00 32.46 31.95 2jyc n ARG 119 CO 0.00 0.00 0.00 0.44 -2.51 0.00 0.00 177.63 175.56 2jyc n ILE 120 N 7.08 0.00 -3.21 5.15 -5.35 -1.26 -4.93 119.36 116.84 2jyc n ILE 120 Ca 0.64 -0.23 -0.02 0.00 -0.27 0.00 0.00 62.75 62.87 2jyc n ILE 120 Cb 0.11 1.10 0.00 0.00 -1.74 0.00 0.00 39.64 39.11 2jyc n ILE 120 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2jyc n GLY 121 N 1.41 2.38 2.17 3.28 0.00 -1.26 -4.94 105.19 108.23 2jyc n GLY 121 Ca 0.10 -2.15 -0.02 0.00 0.00 0.00 0.00 46.02 43.94 2jyc n GLY 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jyc n GLY 123 N 0.82 3.73 1.38 0.00 0.00 -0.27 -4.98 105.19 105.87 2jyc n GLY 123 Ca -0.17 -1.89 0.08 0.00 0.00 0.00 0.00 46.02 44.04 2jyc n GLY 123 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jyc n LEU 124 N 0.00 4.63 0.00 0.99 7.99 -1.26 -4.88 117.00 124.46 2jyc n LEU 124 Ca 0.00 -2.72 0.00 0.00 -0.01 0.00 0.00 56.01 53.28 2jyc n LEU 124 Cb 0.00 -0.57 0.00 0.00 -0.11 0.00 0.00 43.42 42.74 2jyc n LEU 124 CO 0.00 0.71 0.00 0.47 -1.51 0.00 0.00 177.39 177.06 2jyc n ASP 125 N 0.42 0.60 0.00 -1.43 8.00 -1.26 -5.00 116.55 117.88 2jyc n ASP 125 Ca 0.24 0.00 0.05 0.00 0.71 0.00 0.00 54.79 55.79 2jyc n ASP 125 Cb 0.94 0.00 0.25 0.00 -0.02 0.00 0.00 41.12 42.29 2jyc n ASP 125 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2jyc n ARG 126 N 0.00 0.04 -2.38 -1.24 5.12 -1.26 -4.67 116.66 112.27 2jyc n ARG 126 Ca 0.00 0.28 -0.43 0.00 -1.93 0.00 0.00 57.85 55.77 2jyc n ARG 126 Cb 0.00 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 29.78 2jyc n ARG 126 CO 0.00 0.00 0.00 -0.48 -1.93 0.00 0.00 177.63 175.22 2jyc s LEU 127 N -2.90 4.23 0.41 0.55 2.34 -1.26 -4.94 118.68 117.10 2jyc s LEU 127 Ca 0.07 1.80 0.05 0.00 0.06 0.00 0.00 54.13 56.11 2jyc s LEU 127 Cb 0.07 -3.54 -0.06 0.00 -0.56 0.00 0.00 46.19 42.10 2jyc s LEU 127 CO 0.20 -0.73 0.03 -1.10 -1.06 0.00 0.00 176.35 173.68 2jyc s GLN 128 N 3.15 1.92 0.19 1.48 -0.21 -1.26 -1.12 119.66 123.82 2jyc s GLN 128 Ca 0.57 -2.12 -0.09 0.00 0.02 0.00 0.00 55.36 53.74 2jyc s GLN 128 Cb -0.24 -1.37 0.10 0.00 1.00 0.00 0.00 33.01 32.50 2jyc s GLN 128 CO 0.18 -0.16 1.71 2.35 -2.12 0.00 0.00 175.29 177.25 2jyc h TRP 129 N 1.78 1.15 -0.27 0.91 2.91 -1.94 -1.42 115.95 119.07 2jyc h TRP 129 Ca -0.43 -0.14 -0.00 0.00 1.13 0.00 0.00 58.89 59.45 2jyc h TRP 129 Cb 1.26 -0.32 -0.01 0.00 -0.51 0.00 0.00 29.16 29.57 2jyc h TRP 129 CO 0.88 0.94 0.15 0.93 -1.03 0.00 0.00 178.44 180.31 2jyc h GLU 130 N 1.02 0.37 -0.08 2.65 5.08 -1.99 0.52 114.58 122.15 2jyc h GLU 130 Ca 0.21 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.39 2jyc h GLU 130 Cb 0.37 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 2jyc h GLU 130 CO 0.00 0.27 -0.63 -0.91 -1.00 0.00 0.00 179.01 176.75 2jyc h ASN 131 N 0.37 0.33 0.03 1.42 2.35 -1.77 -3.17 115.58 115.15 2jyc h ASN 131 Ca 0.10 -0.19 -0.23 0.00 -0.55 0.00 0.00 56.30 55.43 2jyc h ASN 131 Cb 0.01 -0.10 0.02 0.00 0.05 0.00 0.00 38.32 38.30 2jyc h ASN 131 CO -0.02 0.87 -0.91 0.58 -1.65 0.00 0.00 177.43 176.31 2jyc h VAL 132 N 0.21 1.35 -0.78 2.81 2.07 0.13 -3.13 116.25 118.91 2jyc h VAL 132 Ca -0.01 -2.25 0.09 0.00 0.82 0.00 0.00 66.70 65.35 2jyc h VAL 132 Cb 1.15 2.58 -0.05 0.00 -1.52 0.00 0.00 31.29 33.45 2jyc h VAL 132 CO 0.10 0.67 0.51 0.77 0.02 0.00 0.00 177.57 179.64 2jyc h SER 133 N 0.14 0.66 -0.17 0.57 4.64 -0.15 0.88 113.55 120.12 2jyc h SER 133 Ca -0.12 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2jyc h SER 133 Cb 1.60 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.55 2jyc h SER 133 CO 0.18 0.41 0.10 0.00 -0.87 0.00 0.00 176.83 176.65 2jyc h ALA 134 N 1.60 0.22 -0.51 5.18 0.00 -1.57 0.11 119.26 124.29 2jyc h ALA 134 Ca 0.35 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.28 2jyc h ALA 134 Cb 0.39 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 2jyc h ALA 134 CO -0.13 -0.26 0.21 1.98 0.00 0.00 0.00 179.25 181.05 2jyc h MET 135 N 0.20 0.40 -0.54 0.00 -1.53 -1.23 0.14 114.93 112.37 2jyc h MET 135 Ca 0.06 -0.02 -0.01 0.00 -3.44 0.00 0.00 59.70 56.29 2jyc h MET 135 Cb 0.03 -0.09 -0.03 0.00 -0.55 0.00 0.00 31.60 30.97 2jyc h MET 135 CO -0.01 0.26 0.30 0.82 0.14 0.00 0.00 176.91 178.42 2jyc h ILE 136 N 0.41 1.16 -0.39 1.77 2.04 -0.35 0.15 117.51 122.29 2jyc h ILE 136 Ca 0.24 -0.39 -0.06 0.00 1.00 0.00 0.00 64.86 65.65 2jyc h ILE 136 Cb 0.23 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 2jyc h ILE 136 CO -0.22 0.17 0.01 -0.33 0.00 0.00 0.00 178.15 177.78 2jyc h GLU 137 N 0.74 0.68 0.11 2.37 5.08 0.59 -2.06 114.58 122.09 2jyc h GLU 137 Ca 0.19 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2jyc h GLU 137 Cb 0.00 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.19 2jyc h GLU 137 CO -0.03 0.77 -0.05 0.93 -1.00 0.00 0.00 179.01 179.62 2jyc h GLU 138 N 0.51 -0.14 0.20 2.33 5.08 -0.11 0.15 114.58 122.59 2jyc h GLU 138 Ca 0.11 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 2jyc h GLU 138 Cb 0.45 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2jyc h GLU 138 CO 0.02 -0.07 -0.09 0.28 -1.00 0.00 0.00 179.01 178.14 2jyc h VAL 139 N -0.17 0.89 -0.10 3.13 2.07 -1.03 -3.32 116.25 117.73 2jyc h VAL 139 Ca -0.01 -0.52 -0.08 0.00 0.82 0.00 0.00 66.70 66.90 2jyc h VAL 139 Cb 0.13 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 2jyc h VAL 139 CO 0.02 0.12 -0.25 -0.26 0.02 0.00 0.00 177.57 177.22 2jyc h PHE 140 N -0.52 0.45 0.00 1.57 -1.00 -1.40 -3.46 116.94 112.58 2jyc h PHE 140 Ca -0.03 -0.17 0.00 0.00 2.81 0.00 0.00 57.97 60.58 2jyc h PHE 140 Cb 0.39 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 39.87 2jyc h PHE 140 CO 0.01 0.86 0.00 -0.85 -1.61 0.00 0.00 178.31 176.72 2jyc n GLU 141 N -4.48 0.00 0.00 1.51 0.28 0.54 -0.64 120.64 117.85 2jyc n GLU 141 Ca -0.07 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.05 2jyc n GLU 141 Cb 0.45 0.00 0.19 0.00 1.43 0.00 0.00 31.44 33.50 2jyc n GLU 141 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2jyc n ALA 142 N 5.39 3.44 -0.21 -1.84 0.00 -1.26 -4.11 120.51 121.92 2jyc n ALA 142 Ca 0.00 -0.50 -0.09 0.00 0.00 0.00 0.00 53.44 52.85 2jyc n ALA 142 Cb 0.00 -0.98 0.03 0.00 0.00 0.00 0.00 19.45 18.50 2jyc n ALA 142 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 2jyc h THR 143 N 1.43 1.26 -5.51 0.00 1.35 -1.24 -3.48 112.91 106.73 2jyc h THR 143 Ca 0.00 -1.05 -0.06 0.00 -0.55 0.00 0.00 66.41 64.74 2jyc h THR 143 Cb 0.59 0.75 0.00 0.00 -1.73 0.00 0.00 68.15 67.77 2jyc h THR 143 CO 0.00 0.39 -0.45 -0.67 -0.25 0.00 0.00 175.52 174.54 2jyc n ASP 144 N -4.26 -7.51 -4.39 5.36 2.03 -1.26 -5.03 116.55 101.50 2jyc n ASP 144 Ca 0.03 0.20 -0.33 0.00 0.52 0.00 0.00 54.79 55.21 2jyc n ASP 144 Cb 0.30 -4.81 -0.14 0.00 -0.72 0.00 0.00 41.12 35.75 2jyc n ASP 144 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2jyc s ILE 145 N -2.64 3.25 -0.24 5.18 1.01 -1.26 -4.90 121.20 121.59 2jyc s ILE 145 Ca 0.17 -0.59 -0.27 0.00 0.00 0.00 0.00 60.65 59.96 2jyc s ILE 145 Cb -0.04 -2.39 0.00 0.00 0.01 0.00 0.00 42.46 40.05 2jyc s ILE 145 CO 0.78 0.51 0.95 -0.54 0.00 0.00 0.00 174.94 176.64 2jyc s LYS 146 N 0.45 4.21 -0.23 2.79 -0.14 0.81 -4.83 119.74 122.80 2jyc s LYS 146 Ca -0.08 1.16 -0.04 0.00 -1.36 0.00 0.00 55.97 55.65 2jyc s LYS 146 Cb -0.15 -3.65 -0.00 0.00 -1.68 0.00 0.00 37.83 32.34 2jyc s LYS 146 CO 0.04 -0.60 -0.03 0.42 -0.76 0.00 0.00 175.35 174.42 2jyc s ILE 147 N 3.08 3.38 -0.36 2.17 1.01 0.48 -0.38 121.20 130.58 2jyc s ILE 147 Ca 0.40 -0.57 -0.14 0.00 0.00 0.00 0.00 60.65 60.34 2jyc s ILE 147 Cb -0.15 -2.58 -0.01 0.00 0.01 0.00 0.00 42.46 39.73 2jyc s ILE 147 CO 0.07 0.36 0.27 -0.89 0.00 0.00 0.00 174.94 174.76 2jyc s THR 148 N 1.46 5.26 -0.28 2.92 2.01 0.24 0.57 115.64 127.83 2jyc s THR 148 Ca 0.05 -0.29 -0.11 0.00 0.31 0.00 0.00 61.69 61.65 2jyc s THR 148 Cb -0.15 -3.79 -0.05 0.00 0.01 0.00 0.00 72.50 68.53 2jyc s THR 148 CO -0.03 -0.10 0.18 -0.69 -0.69 0.00 0.00 174.62 173.29 2jyc s VAL 149 N 1.76 5.23 -0.20 3.82 1.01 0.14 -0.32 120.40 131.83 2jyc s VAL 149 Ca 0.07 0.14 -0.17 0.00 0.00 0.00 0.00 61.98 62.01 2jyc s VAL 149 Cb -0.18 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 2jyc s VAL 149 CO 0.11 0.26 0.48 -0.31 0.00 0.00 0.00 175.10 175.63 2jyc s TYR 150 N 1.71 3.37 -0.27 5.22 1.51 0.07 -0.44 117.35 128.53 2jyc s TYR 150 Ca 0.07 0.71 -0.19 0.00 -1.01 0.00 0.00 57.07 56.65 2jyc s TYR 150 Cb -0.16 -2.62 -0.02 0.00 -0.11 0.00 0.00 41.96 39.05 2jyc s TYR 150 CO 0.10 -0.08 0.57 0.95 -1.11 0.00 0.00 175.55 175.99 2jyc s THR 151 N 1.54 5.02 0.00 -0.71 -4.23 0.63 -2.28 115.64 115.61 2jyc s THR 151 Ca 0.22 0.95 0.00 0.00 -1.18 0.00 0.00 61.69 61.69 2jyc s THR 151 Cb -0.15 -3.89 0.00 0.00 1.34 0.00 0.00 72.50 69.80 2jyc s THR 151 CO 0.09 0.03 0.21 0.18 -0.54 0.00 0.00 174.62 174.59