#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jyu n SER 57 N 0.00 -3.10 -4.56 1.61 2.88 -1.26 -4.98 113.62 104.21 1jyu n SER 57 Ca 0.00 0.20 -0.38 0.00 -1.33 0.00 0.00 58.87 57.37 1jyu n SER 57 Cb 0.00 -0.43 -0.11 0.00 -0.75 0.00 0.00 64.21 62.92 1jyu n SER 57 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1jyu s MET 58 N -3.39 3.90 0.26 -1.46 1.00 -1.26 -4.94 119.30 113.41 1jyu s MET 58 Ca 0.00 -0.35 0.22 0.00 0.00 0.00 0.00 55.69 55.56 1jyu s MET 58 Cb 0.00 -3.57 1.00 0.00 0.00 0.00 0.00 34.83 32.26 1jyu s MET 58 CO 0.00 -0.16 1.68 0.00 0.00 0.00 0.00 175.02 176.54 1jyu n ALA 59 N 4.95 1.51 1.17 3.03 0.00 -1.26 -2.58 120.51 127.34 1jyu n ALA 59 Ca -0.15 0.11 0.14 0.00 0.00 0.00 0.00 53.44 53.54 1jyu n ALA 59 Cb 0.52 -1.36 0.53 0.00 0.00 0.00 0.00 19.45 19.14 1jyu n ALA 59 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 1jyu n TRP 60 N -2.21 0.00 -3.06 0.00 4.27 -1.26 -4.75 117.44 110.43 1jyu n TRP 60 Ca 0.01 0.00 -0.44 0.00 -3.89 0.00 0.00 57.50 53.18 1jyu n TRP 60 Cb 0.18 -0.31 -0.05 0.00 -1.36 0.00 0.00 31.31 29.77 1jyu n TRP 60 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 1jyu s PHE 61 N -2.78 2.93 -0.37 -2.67 5.36 -1.07 -0.16 117.98 119.23 1jyu s PHE 61 Ca 0.20 -0.74 0.09 0.00 -0.96 0.00 0.00 56.93 55.52 1jyu s PHE 61 Cb 0.19 -3.97 0.66 0.00 -0.34 0.00 0.00 43.02 39.56 1jyu s PHE 61 CO 0.55 -1.31 1.62 1.19 -1.46 0.00 0.00 175.22 175.80 1jyu n PHE 62 N 6.64 2.00 -1.27 10.12 3.01 -0.86 -4.99 117.46 132.10 1jyu n PHE 62 Ca -0.07 -0.90 0.00 0.00 1.01 0.00 0.00 57.45 57.49 1jyu n PHE 62 Cb 0.44 -0.56 0.00 0.00 -0.01 0.00 0.00 39.48 39.35 1jyu n PHE 62 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1jyu n GLY 63 N 0.13 2.36 3.50 1.37 0.00 -1.26 -4.31 105.19 106.99 1jyu n GLY 63 Ca 0.31 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1jyu n GLY 63 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jyu s LYS 64 N 0.00 3.29 -0.08 1.61 2.20 -1.26 -0.01 119.74 125.49 1jyu s LYS 64 Ca 0.00 -0.76 -0.11 0.00 -0.36 0.00 0.00 55.97 54.73 1jyu s LYS 64 Cb 0.00 -3.88 0.03 0.00 -1.51 0.00 0.00 37.83 32.47 1jyu s LYS 64 CO 0.00 -0.58 0.29 0.96 -0.36 0.00 0.00 175.35 175.66 1jyu s ILE 65 N 1.76 0.02 0.50 5.43 -4.36 -1.26 -5.01 121.20 118.27 1jyu s ILE 65 Ca 0.07 -0.17 -0.23 0.00 -0.26 0.00 0.00 60.65 60.06 1jyu s ILE 65 Cb -0.18 -0.47 -0.07 0.00 1.25 0.00 0.00 42.46 42.98 1jyu s ILE 65 CO 0.11 -0.09 1.16 -2.65 0.24 0.00 0.00 174.94 173.71 1jyu n PRO 66 N 2.40 1.50 -0.02 0.37 -0.02 -1.26 -4.80 135.00 133.17 1jyu n PRO 66 Ca -0.16 0.55 -0.14 0.00 -2.02 0.00 0.00 63.50 61.73 1jyu n PRO 66 Cb 0.57 -2.31 -0.08 0.00 -0.02 0.00 0.00 33.50 31.66 1jyu n PRO 66 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 1jyu h ARG 67 N 1.42 -0.50 -1.20 -0.52 2.43 -2.00 0.06 114.38 114.06 1jyu h ARG 67 Ca -0.48 0.03 0.35 0.00 -0.81 0.00 0.00 59.98 59.07 1jyu h ARG 67 Cb 1.32 0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.94 1jyu h ARG 67 CO 0.56 -0.34 1.00 0.00 -1.51 0.00 0.00 179.97 179.69 1jyu h ALA 68 N -0.09 3.09 0.00 2.80 0.00 -2.00 0.42 119.26 123.48 1jyu h ALA 68 Ca 0.06 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1jyu h ALA 68 Cb 0.66 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1jyu h ALA 68 CO -0.45 -1.62 -0.73 0.87 0.00 0.00 0.00 179.25 177.32 1jyu h LYS 69 N 0.00 0.00 0.00 0.00 1.79 -1.32 -3.07 116.57 113.97 1jyu h LYS 69 Ca 0.57 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.89 1jyu h LYS 69 Cb 2.57 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 33.19 1jyu h LYS 69 CO -0.01 0.73 -0.84 0.00 -1.08 0.00 0.00 179.45 178.25 1jyu h ALA 70 N 1.27 0.60 0.69 3.86 0.00 -0.89 -1.96 119.26 122.83 1jyu h ALA 70 Ca -0.01 -0.68 -0.03 0.00 0.00 0.00 0.00 54.91 54.19 1jyu h ALA 70 Cb 1.51 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.31 1jyu h ALA 70 CO 0.09 0.86 -0.33 0.93 0.00 0.00 0.00 179.25 180.81 1jyu h GLU 71 N 0.00 -0.89 -0.94 0.00 5.08 -1.48 -0.23 114.58 116.11 1jyu h GLU 71 Ca -0.05 0.06 0.19 0.00 -1.00 0.00 0.00 59.36 58.56 1jyu h GLU 71 Cb 1.54 0.20 -0.11 0.00 0.50 0.00 0.00 28.75 30.88 1jyu h GLU 71 CO 0.08 -0.56 0.52 1.49 -1.00 0.00 0.00 179.01 179.53 1jyu h GLU 72 N -1.13 0.62 0.00 2.33 4.81 -1.56 0.92 114.58 120.56 1jyu h GLU 72 Ca -0.09 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 1jyu h GLU 72 Cb 0.74 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1jyu h GLU 72 CO 0.16 0.41 -0.01 -0.12 -0.73 0.00 0.00 179.01 178.71 1jyu n MET 73 N -4.86 0.03 -0.11 1.92 1.56 -0.74 -3.82 117.12 111.10 1jyu n MET 73 Ca 0.22 0.02 -0.13 0.00 -0.27 0.00 0.00 57.70 57.55 1jyu n MET 73 Cb 0.57 -1.53 -0.14 0.00 2.15 0.00 0.00 33.22 34.27 1jyu n MET 73 CO 0.00 0.00 0.00 1.28 -0.73 0.00 0.00 175.97 176.52 1jyu n LEU 74 N -1.59 1.15 0.00 -0.89 4.77 0.21 -4.32 117.00 116.33 1jyu n LEU 74 Ca 0.07 -0.05 0.03 0.00 -0.03 0.00 0.00 56.01 56.02 1jyu n LEU 74 Cb 0.35 -0.04 0.12 0.00 -2.33 0.00 0.00 43.42 41.52 1jyu n LEU 74 CO 0.28 0.65 0.55 -1.54 -1.33 0.00 0.00 177.39 176.00 1jyu n SER 75 N -2.92 0.00 0.01 -1.43 3.41 -0.53 -0.58 113.62 111.58 1jyu n SER 75 Ca -0.37 0.38 0.11 0.00 -0.26 0.00 0.00 58.87 58.73 1jyu n SER 75 Cb 1.07 -0.41 -0.13 0.00 -0.26 0.00 0.00 64.21 64.48 1jyu n SER 75 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1jyu n LYS 76 N -1.41 0.51 -2.34 4.33 3.00 -1.26 -4.82 118.16 116.17 1jyu n LYS 76 Ca 0.02 -0.12 -0.42 0.00 -0.00 0.00 0.00 58.31 57.79 1jyu n LYS 76 Cb 0.05 -1.55 -0.03 0.00 0.00 0.00 0.00 35.03 33.50 1jyu n LYS 76 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 1jyu s GLN 77 N -3.39 4.31 -0.03 1.64 2.00 0.26 -4.93 119.66 119.51 1jyu s GLN 77 Ca -0.04 1.81 -0.26 0.00 -2.00 0.00 0.00 55.36 54.88 1jyu s GLN 77 Cb 0.14 -3.60 -0.21 0.00 0.80 0.00 0.00 33.01 30.15 1jyu s GLN 77 CO 0.88 -0.54 1.20 0.07 -0.50 0.00 0.00 175.29 176.40 1jyu h ARG 78 N 7.75 0.05 -6.34 1.67 0.11 -1.87 -3.45 114.38 112.30 1jyu h ARG 78 Ca -0.35 -0.03 -0.55 0.00 0.10 0.00 0.00 59.98 59.15 1jyu h ARG 78 Cb 1.16 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.23 1jyu h ARG 78 CO 0.90 0.61 0.66 -3.38 0.10 0.00 0.00 179.97 178.86 1jyu s HIS 79 N -3.93 3.27 0.36 4.08 -3.43 -1.26 -5.00 115.29 109.38 1jyu s HIS 79 Ca -0.16 1.27 -0.28 0.00 -0.80 0.00 0.00 55.06 55.10 1jyu s HIS 79 Cb 0.01 -3.39 -0.12 0.00 -1.43 0.00 0.00 32.58 27.66 1jyu s HIS 79 CO 0.69 -1.17 1.34 -0.25 -2.00 0.00 0.00 174.74 173.34 1jyu n ASP 80 N 4.95 2.98 0.00 7.38 9.92 -1.26 -2.80 116.55 137.72 1jyu n ASP 80 Ca 0.10 1.20 0.00 0.00 -0.53 0.00 0.00 54.79 55.56 1jyu n ASP 80 Cb 0.47 -1.52 0.00 0.00 -0.64 0.00 0.00 41.12 39.43 1jyu n ASP 80 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1jyu n GLY 81 N 0.70 0.86 3.72 0.44 0.00 0.81 -5.00 105.19 106.72 1jyu n GLY 81 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1jyu n GLY 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jyu s ALA 82 N -2.06 3.41 0.13 4.61 0.00 -1.12 -4.87 121.76 121.85 1jyu s ALA 82 Ca 0.00 0.88 -0.10 0.00 0.00 0.00 0.00 51.96 52.73 1jyu s ALA 82 Cb 0.00 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1jyu s ALA 82 CO 0.00 -0.40 0.27 -0.59 0.00 0.00 0.00 175.76 175.04 1jyu s PHE 83 N 0.66 0.17 -0.05 0.00 -0.12 -1.26 -1.52 117.98 115.86 1jyu s PHE 83 Ca 0.57 -0.56 -0.07 0.00 -0.05 0.00 0.00 56.93 56.82 1jyu s PHE 83 Cb -0.30 0.01 0.01 0.00 -0.63 0.00 0.00 43.02 42.11 1jyu s PHE 83 CO 0.32 -0.65 0.17 -0.48 -0.05 0.00 0.00 175.22 174.53 1jyu s LEU 84 N -2.89 1.38 0.40 -1.99 2.34 -0.94 -4.77 118.68 112.21 1jyu s LEU 84 Ca 0.09 0.19 -0.03 0.00 0.06 0.00 0.00 54.13 54.44 1jyu s LEU 84 Cb 0.04 0.64 -0.04 0.00 -0.56 0.00 0.00 46.19 46.27 1jyu s LEU 84 CO -0.07 -0.16 0.67 -0.63 -1.06 0.00 0.00 176.35 175.10 1jyu s ILE 85 N -0.37 4.99 -0.21 1.48 -1.09 0.77 -1.55 121.20 125.22 1jyu s ILE 85 Ca -0.05 -0.05 -0.13 0.00 -2.23 0.00 0.00 60.65 58.19 1jyu s ILE 85 Cb -0.03 -3.84 0.06 0.00 -1.58 0.00 0.00 42.46 37.07 1jyu s ILE 85 CO 0.01 -0.66 0.53 0.00 -1.23 0.00 0.00 174.94 173.59 1jyu s ARG 86 N -4.39 0.54 0.06 2.79 1.70 0.08 -2.03 118.95 117.71 1jyu s ARG 86 Ca 0.44 0.92 -0.34 0.00 -0.47 0.00 0.00 55.73 56.28 1jyu s ARG 86 Cb -0.10 0.10 -0.13 0.00 -0.57 0.00 0.00 34.95 34.24 1jyu s ARG 86 CO 0.39 -0.14 1.67 0.39 -1.08 0.00 0.00 175.30 176.53 1jyu n GLU 87 N 3.97 2.06 -2.49 3.89 1.02 0.98 -2.30 120.64 127.77 1jyu n GLU 87 Ca -0.20 0.75 -0.36 0.00 -0.02 0.00 0.00 57.16 57.32 1jyu n GLU 87 Cb 0.57 -2.53 -0.03 0.00 -0.02 0.00 0.00 31.44 29.42 1jyu n GLU 87 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1jyu s SER 88 N 1.99 6.60 -1.12 1.62 0.15 0.68 -4.27 113.70 119.35 1jyu s SER 88 Ca 0.84 2.07 -0.04 0.00 0.70 0.00 0.00 55.95 59.52 1jyu s SER 88 Cb -0.71 -2.59 0.18 0.00 -1.71 0.00 0.00 66.02 61.19 1jyu s SER 88 CO 0.44 -0.60 2.27 -0.62 1.20 0.00 0.00 173.24 175.93 1jyu n GLU 89 N -0.26 4.48 0.00 5.44 1.02 -1.26 -4.47 120.64 125.59 1jyu n GLU 89 Ca 0.06 -3.64 0.00 0.00 -0.02 0.00 0.00 57.16 53.55 1jyu n GLU 89 Cb 0.50 -2.51 0.00 0.00 -0.02 0.00 0.00 31.44 29.40 1jyu n GLU 89 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1jyu n SER 90 N 1.05 0.00 0.00 1.62 7.64 -1.26 -5.13 113.62 117.54 1jyu n SER 90 Ca 0.57 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.45 1jyu n SER 90 Cb 0.29 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.49 1jyu n SER 90 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jyu n ALA 91 N 0.00 0.00 -1.64 -0.43 0.00 -1.26 -5.05 120.51 112.13 1jyu n ALA 91 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 53.44 52.97 1jyu n ALA 91 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 1jyu n ALA 91 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1jyu n PRO 92 N 0.00 1.77 -1.02 0.00 -0.02 -1.26 -2.46 135.00 132.01 1jyu n PRO 92 Ca 0.00 0.63 -0.01 0.00 -2.02 0.00 0.00 63.50 62.11 1jyu n PRO 92 Cb 0.00 -2.30 -0.00 0.00 -0.02 0.00 0.00 33.50 31.18 1jyu n PRO 92 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jyu n GLY 93 N 2.58 0.11 3.78 -1.23 0.00 -1.26 -4.97 105.19 104.20 1jyu n GLY 93 Ca 0.15 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1jyu n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jyu s ASP 94 N -2.03 6.66 0.18 1.61 1.11 -1.03 -4.94 116.67 118.22 1jyu s ASP 94 Ca 0.00 2.04 0.07 0.00 0.18 0.00 0.00 52.55 54.84 1jyu s ASP 94 Cb 0.00 -2.58 -0.04 0.00 1.07 0.00 0.00 42.92 41.36 1jyu s ASP 94 CO 0.00 -0.56 -0.13 -0.36 1.18 0.00 0.00 175.17 175.30 1jyu s PHE 95 N -1.70 1.55 0.03 4.23 0.40 -1.26 -0.23 117.98 121.00 1jyu s PHE 95 Ca 0.59 -0.62 -0.01 0.00 -0.60 0.00 0.00 56.93 56.29 1jyu s PHE 95 Cb -0.22 -0.75 -0.02 0.00 0.51 0.00 0.00 43.02 42.55 1jyu s PHE 95 CO 0.27 0.25 -0.01 -1.12 0.70 0.00 0.00 175.22 175.31 1jyu s SER 96 N -3.14 0.28 -0.14 1.36 0.01 -0.97 -2.49 113.70 108.61 1jyu s SER 96 Ca 0.19 -0.61 0.01 0.00 1.31 0.00 0.00 55.95 56.85 1jyu s SER 96 Cb -0.00 0.15 0.02 0.00 0.21 0.00 0.00 66.02 66.39 1jyu s SER 96 CO 0.04 -0.40 -0.15 -0.22 0.41 0.00 0.00 173.24 172.92 1jyu s LEU 97 N -1.88 1.75 -0.16 2.44 0.20 -0.91 -0.74 118.68 119.38 1jyu s LEU 97 Ca -0.09 -0.49 -0.03 0.00 0.69 0.00 0.00 54.13 54.22 1jyu s LEU 97 Cb -0.05 -1.19 -0.02 0.00 -0.43 0.00 0.00 46.19 44.51 1jyu s LEU 97 CO -0.03 -0.02 -0.06 -0.44 -0.29 0.00 0.00 176.35 175.50 1jyu s SER 98 N 1.28 4.48 -0.08 3.68 0.01 -0.60 -0.85 113.70 121.62 1jyu s SER 98 Ca 0.01 -0.24 0.03 0.00 1.31 0.00 0.00 55.95 57.05 1jyu s SER 98 Cb -0.14 -1.73 0.01 0.00 0.21 0.00 0.00 66.02 64.38 1jyu s SER 98 CO -0.07 0.13 -0.16 -0.69 0.41 0.00 0.00 173.24 172.85 1jyu s VAL 99 N 0.61 1.43 -0.07 3.43 1.01 0.23 -2.22 120.40 124.81 1jyu s VAL 99 Ca -0.04 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.00 1jyu s VAL 99 Cb -0.15 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 1jyu s VAL 99 CO 0.03 0.42 1.03 -0.75 0.00 0.00 0.00 175.10 175.82 1jyu s LYS 100 N 0.59 4.44 -0.24 2.72 2.36 -0.58 0.46 119.74 129.50 1jyu s LYS 100 Ca -0.15 1.44 -0.11 0.00 -2.55 0.00 0.00 55.97 54.59 1jyu s LYS 100 Cb -0.16 -3.52 0.09 0.00 -1.05 0.00 0.00 37.83 33.18 1jyu s LYS 100 CO 0.05 -0.27 0.57 0.12 1.55 0.00 0.00 175.35 177.36 1jyu s PHE 101 N 1.81 -0.97 0.00 4.03 2.19 -0.15 -0.13 117.98 124.75 1jyu s PHE 101 Ca 0.50 1.87 0.00 0.00 0.33 0.00 0.00 56.93 59.63 1jyu s PHE 101 Cb -0.20 0.53 0.00 0.00 -1.31 0.00 0.00 43.02 42.04 1jyu s PHE 101 CO 0.21 -0.51 0.00 0.41 1.83 0.00 0.00 175.22 177.16 1jyu n GLY 102 N 4.74 1.89 0.31 13.12 0.00 -1.26 -2.02 105.19 121.97 1jyu n GLY 102 Ca -0.17 -0.55 0.11 0.00 0.00 0.00 0.00 46.02 45.41 1jyu n GLY 102 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1jyu n ASN 103 N 3.32 1.52 -5.01 1.61 4.05 -1.26 -4.94 115.26 114.54 1jyu n ASN 103 Ca 0.00 -1.20 -0.18 0.00 0.45 0.00 0.00 54.58 53.66 1jyu n ASN 103 Cb 0.00 0.49 0.02 0.00 1.23 0.00 0.00 39.78 41.52 1jyu n ASN 103 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 177.26 172.40 1jyu s ASP 104 N -2.62 5.54 -0.11 1.20 -0.00 -0.86 -5.02 116.67 114.80 1jyu s ASP 104 Ca 0.17 -0.49 0.03 0.00 -0.00 0.00 0.00 52.55 52.26 1jyu s ASP 104 Cb 0.18 -0.48 0.01 0.00 -0.00 0.00 0.00 42.92 42.63 1jyu s ASP 104 CO 0.63 -0.89 -0.19 -0.69 -0.00 0.00 0.00 175.17 174.03 1jyu s VAL 105 N -2.43 1.76 0.14 -1.27 1.01 -1.26 -0.98 120.40 117.38 1jyu s VAL 105 Ca 0.56 -0.82 0.07 0.00 0.00 0.00 0.00 61.98 61.79 1jyu s VAL 105 Cb -0.09 -1.57 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1jyu s VAL 105 CO 0.34 0.49 -0.02 -1.10 0.00 0.00 0.00 175.10 174.82 1jyu s GLN 106 N 0.74 2.38 0.10 2.72 -0.21 0.17 -4.92 119.66 120.64 1jyu s GLN 106 Ca -0.11 -1.03 0.10 0.00 0.02 0.00 0.00 55.36 54.34 1jyu s GLN 106 Cb -0.16 -2.39 -0.04 0.00 1.00 0.00 0.00 33.01 31.43 1jyu s GLN 106 CO 0.02 0.49 -0.25 -1.01 -2.12 0.00 0.00 175.29 172.41 1jyu s HIS 107 N -1.52 2.18 -0.03 0.91 3.76 -1.26 0.76 115.29 120.08 1jyu s HIS 107 Ca 0.26 -0.39 -0.01 0.00 -0.15 0.00 0.00 55.06 54.77 1jyu s HIS 107 Cb -0.10 -1.22 0.03 0.00 1.11 0.00 0.00 32.58 32.40 1jyu s HIS 107 CO 0.18 0.25 0.05 -0.06 -0.85 0.00 0.00 174.74 174.31 1jyu s PHE 108 N -1.00 0.02 0.37 1.40 0.40 -0.03 -4.97 117.98 114.16 1jyu s PHE 108 Ca 0.12 0.21 -0.27 0.00 -0.60 0.00 0.00 56.93 56.38 1jyu s PHE 108 Cb -0.10 -0.29 -0.09 0.00 0.51 0.00 0.00 43.02 43.05 1jyu s PHE 108 CO 0.04 -0.13 1.27 0.21 0.70 0.00 0.00 175.22 177.32 1jyu s LYS 109 N 1.41 4.18 -0.64 0.44 2.20 -1.26 -2.14 119.74 123.92 1jyu s LYS 109 Ca -0.05 2.11 -0.18 0.00 -0.36 0.00 0.00 55.97 57.49 1jyu s LYS 109 Cb -0.13 -2.89 0.12 0.00 -1.51 0.00 0.00 37.83 33.42 1jyu s LYS 109 CO -0.03 -0.30 0.72 0.08 -0.36 0.00 0.00 175.35 175.46 1jyu s VAL 110 N -1.23 4.94 0.82 4.02 1.01 -1.04 -4.76 120.40 124.16 1jyu s VAL 110 Ca 0.53 -1.27 -0.10 0.00 0.00 0.00 0.00 61.98 61.14 1jyu s VAL 110 Cb -0.37 -4.50 0.08 0.00 0.00 0.00 0.00 36.38 31.60 1jyu s VAL 110 CO 0.48 -1.12 1.10 -0.76 0.00 0.00 0.00 175.10 174.81 1jyu s LEU 111 N 2.28 2.91 0.00 3.92 1.02 -0.27 -4.65 118.68 123.90 1jyu s LEU 111 Ca 0.13 1.88 -0.04 0.00 0.02 0.00 0.00 54.13 56.11 1jyu s LEU 111 Cb -0.22 -4.47 -0.00 0.00 0.02 0.00 0.00 46.19 41.51 1jyu s LEU 111 CO 0.03 -2.35 0.08 -0.13 0.02 0.00 0.00 176.35 174.00 1jyu s ARG 112 N -4.84 0.37 0.31 1.70 0.52 -1.26 -1.75 118.95 114.01 1jyu s ARG 112 Ca 0.63 -0.39 0.08 0.00 -0.52 0.00 0.00 55.73 55.52 1jyu s ARG 112 Cb -0.19 0.15 -0.03 0.00 0.52 0.00 0.00 34.95 35.40 1jyu s ARG 112 CO 0.57 -0.08 0.25 0.16 0.02 0.00 0.00 175.30 176.21 1jyu s ASP 113 N -1.19 5.26 0.38 0.23 1.47 -0.85 -4.92 116.67 117.04 1jyu s ASP 113 Ca -0.13 -0.47 0.12 0.00 1.18 0.00 0.00 52.55 53.25 1jyu s ASP 113 Cb -0.07 -1.04 0.68 0.00 -0.34 0.00 0.00 42.92 42.14 1jyu s ASP 113 CO 0.01 -0.26 1.27 1.23 0.68 0.00 0.00 175.17 178.09 1jyu h GLY 114 N 1.35 0.00 -0.09 2.12 0.00 -2.02 2.59 103.07 107.02 1jyu h GLY 114 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1jyu h GLY 114 CO 0.59 0.00 -0.43 0.00 0.00 0.00 0.00 176.54 176.71 1jyu n ALA 115 N -1.55 3.45 -1.15 3.60 0.00 -1.26 -4.94 120.51 118.65 1jyu n ALA 115 Ca -0.01 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.94 1jyu n ALA 115 Cb 0.42 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.88 1jyu n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jyu n GLY 116 N 1.40 0.56 3.88 0.00 0.00 0.87 -5.06 105.19 106.84 1jyu n GLY 116 Ca 0.10 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 1jyu n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jyu s LYS 117 N -2.37 3.56 0.17 1.61 -0.14 -1.24 -4.80 119.74 116.53 1jyu s LYS 117 Ca 0.00 0.63 0.10 0.00 -1.36 0.00 0.00 55.97 55.34 1jyu s LYS 117 Cb 0.00 -2.13 -0.04 0.00 -1.68 0.00 0.00 37.83 33.97 1jyu s LYS 117 CO 0.00 -0.52 -0.17 0.71 -0.76 0.00 0.00 175.35 174.61 1jyu s TYR 118 N -3.10 2.48 -0.23 3.18 1.51 -1.26 -2.00 117.35 117.91 1jyu s TYR 118 Ca 0.54 -0.29 -0.28 0.00 -1.01 0.00 0.00 57.07 56.03 1jyu s TYR 118 Cb -0.11 -1.24 0.15 0.00 -0.11 0.00 0.00 41.96 40.66 1jyu s TYR 118 CO 0.52 0.48 1.17 -0.59 -1.11 0.00 0.00 175.55 176.02 1jyu s PHE 119 N -1.59 -0.25 -0.08 2.71 -0.12 -0.71 -4.98 117.98 112.96 1jyu s PHE 119 Ca 0.22 0.48 -0.02 0.00 -0.05 0.00 0.00 56.93 57.56 1jyu s PHE 119 Cb -0.09 0.45 -0.26 0.00 -0.63 0.00 0.00 43.02 42.50 1jyu s PHE 119 CO 0.12 -0.19 0.50 -0.07 -0.05 0.00 0.00 175.22 175.53 1jyu h LEU 120 N 2.74 0.33 -7.00 -1.99 3.38 -1.86 -0.69 115.31 110.21 1jyu h LEU 120 Ca -0.18 -0.69 -0.01 0.00 0.09 0.00 0.00 57.88 57.09 1jyu h LEU 120 Cb 1.18 -0.11 -0.19 0.00 0.09 0.00 0.00 40.66 41.62 1jyu h LEU 120 CO 0.24 1.61 0.30 -1.66 0.09 0.00 0.00 178.44 179.01 1jyu s TRP 121 N -2.57 -0.56 0.21 1.13 1.48 -1.26 -4.74 118.94 112.62 1jyu s TRP 121 Ca -0.16 0.91 0.00 0.00 -1.06 0.00 0.00 56.10 55.79 1jyu s TRP 121 Cb 0.07 0.44 -0.04 0.00 -1.16 0.00 0.00 33.47 32.77 1jyu s TRP 121 CO 0.80 -0.55 0.09 0.54 -4.06 0.00 0.00 176.95 173.76 1jyu s VAL 122 N -1.41 0.31 -0.16 -0.66 0.11 -1.26 -5.15 120.40 112.18 1jyu s VAL 122 Ca -0.07 -1.98 0.01 0.00 -2.93 0.00 0.00 61.98 57.00 1jyu s VAL 122 Cb -0.00 -2.43 0.02 0.00 -1.53 0.00 0.00 36.38 32.43 1jyu s VAL 122 CO 0.06 -0.13 -0.18 -0.69 -3.33 0.00 0.00 175.10 170.82 1jyu s VAL 123 N -3.93 1.86 0.03 2.04 1.01 -1.26 -5.10 120.40 115.05 1jyu s VAL 123 Ca 0.34 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1jyu s VAL 123 Cb 0.07 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.74 1jyu s VAL 123 CO 0.10 0.51 -0.09 -0.54 0.00 0.00 0.00 175.10 175.08 1jyu s LYS 124 N 1.27 0.60 0.18 2.72 1.02 -1.26 -5.16 119.74 119.10 1jyu s LYS 124 Ca 0.03 -0.61 0.08 0.00 0.02 0.00 0.00 55.97 55.48 1jyu s LYS 124 Cb -0.13 -0.49 -0.04 0.00 -0.52 0.00 0.00 37.83 36.65 1jyu s LYS 124 CO -0.10 0.11 -0.01 -0.06 -0.92 0.00 0.00 175.35 174.37 1jyu s PHE 125 N -0.92 2.82 -0.60 3.18 0.40 -1.26 -5.02 117.98 116.59 1jyu s PHE 125 Ca -0.04 -0.15 0.26 0.00 -0.60 0.00 0.00 56.93 56.40 1jyu s PHE 125 Cb -0.07 -1.36 0.79 0.00 0.51 0.00 0.00 43.02 42.88 1jyu s PHE 125 CO 0.00 0.52 1.75 -0.91 0.70 0.00 0.00 175.22 177.28 1jyu h ASN 126 N 2.71 0.00 -4.88 1.36 2.35 -2.01 -3.47 115.58 111.63 1jyu h ASN 126 Ca -0.47 0.00 0.01 0.00 -0.55 0.00 0.00 56.30 55.29 1jyu h ASN 126 Cb 1.20 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 39.43 1jyu h ASN 126 CO 0.58 0.00 0.29 -0.94 -1.65 0.00 0.00 177.43 175.70 1jyu s SER 127 N -4.83 -0.53 0.25 5.81 1.04 -1.26 -5.04 113.70 109.14 1jyu s SER 127 Ca 0.08 0.14 -0.03 0.00 0.48 0.00 0.00 55.95 56.63 1jyu s SER 127 Cb 0.10 0.53 0.45 0.00 0.10 0.00 0.00 66.02 67.20 1jyu s SER 127 CO 0.57 -0.80 1.79 -0.07 0.98 0.00 0.00 173.24 175.72 1jyu h LEU 128 N 2.20 0.63 0.01 2.42 -0.00 -1.99 0.09 115.31 118.69 1jyu h LEU 128 Ca -0.29 0.06 0.03 0.00 -0.00 0.00 0.00 57.88 57.68 1jyu h LEU 128 Cb 1.26 -0.05 -0.05 0.00 -0.00 0.00 0.00 40.66 41.82 1jyu h LEU 128 CO 0.36 0.33 -0.30 -1.13 -0.00 0.00 0.00 178.44 177.71 1jyu h ASN 129 N 0.74 -0.89 -0.74 -0.43 -0.00 -1.99 0.15 115.58 112.42 1jyu h ASN 129 Ca 0.42 0.12 -0.02 0.00 -0.00 0.00 0.00 56.30 56.82 1jyu h ASN 129 Cb 0.47 0.36 -0.03 0.00 -0.00 0.00 0.00 38.32 39.11 1jyu h ASN 129 CO -0.29 -0.37 0.37 -0.33 -0.00 0.00 0.00 177.43 176.82 1jyu h GLU 130 N -0.46 1.05 -0.04 6.67 5.08 -1.79 0.85 114.58 125.94 1jyu h GLU 130 Ca 0.06 -0.14 0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1jyu h GLU 130 Cb 0.53 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1jyu h GLU 130 CO -0.24 0.81 -0.05 1.25 -1.00 0.00 0.00 179.01 179.77 1jyu h LEU 131 N 1.03 -0.16 -0.75 1.33 6.46 -0.26 -1.07 115.31 121.90 1jyu h LEU 131 Ca 0.26 0.03 -0.04 0.00 -0.12 0.00 0.00 57.88 58.01 1jyu h LEU 131 Cb 0.09 0.08 -0.03 0.00 -0.73 0.00 0.00 40.66 40.06 1jyu h LEU 131 CO -0.04 -0.08 0.33 0.58 -0.62 0.00 0.00 178.44 178.61 1jyu h VAL 132 N -0.07 1.25 -0.69 1.05 2.07 -0.45 -2.53 116.25 116.88 1jyu h VAL 132 Ca 0.04 -0.74 0.01 0.00 0.82 0.00 0.00 66.70 66.83 1jyu h VAL 132 Cb 0.13 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.21 1jyu h VAL 132 CO -0.09 0.31 0.46 0.44 0.02 0.00 0.00 177.57 178.71 1jyu h ASP 133 N 1.06 0.77 0.39 0.57 5.19 -0.28 -2.86 116.42 121.26 1jyu h ASP 133 Ca 0.25 -0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.63 1jyu h ASP 133 Cb 0.17 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.50 1jyu h ASP 133 CO -0.03 0.55 -0.19 0.22 -3.12 0.00 0.00 179.24 176.68 1jyu h TYR 134 N 0.91 -0.49 0.00 4.55 3.20 -0.90 -3.13 116.97 121.11 1jyu h TYR 134 Ca 0.26 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.12 1jyu h TYR 134 Cb -0.06 0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.37 1jyu h TYR 134 CO -0.00 -0.17 0.00 0.72 -1.64 0.00 0.00 178.16 177.07 1jyu n HIS 135 N -5.20 0.00 -0.03 -3.82 8.25 -0.98 -1.87 115.22 111.57 1jyu n HIS 135 Ca -0.10 -0.15 -0.16 0.00 -0.26 0.00 0.00 57.72 57.05 1jyu n HIS 135 Cb 0.28 -0.13 -0.14 0.00 1.12 0.00 0.00 29.99 31.13 1jyu n HIS 135 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1jyu n ARG 136 N 0.65 0.70 -0.12 -0.41 1.74 -1.18 -1.29 116.66 116.74 1jyu n ARG 136 Ca 0.00 0.24 0.08 0.00 -0.77 0.00 0.00 57.85 57.40 1jyu n ARG 136 Cb 0.18 -1.70 0.14 0.00 -1.02 0.00 0.00 32.46 30.06 1jyu n ARG 136 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1jyu n SER 137 N -3.26 2.84 -3.81 0.55 3.41 -0.78 -4.30 113.62 108.26 1jyu n SER 137 Ca -0.29 -1.83 -0.12 0.00 -0.26 0.00 0.00 58.87 56.36 1jyu n SER 137 Cb 1.05 -0.16 -0.11 0.00 -0.26 0.00 0.00 64.21 64.73 1jyu n SER 137 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1jyu s THR 138 N -1.20 0.03 0.12 6.66 -1.32 -1.20 -5.11 115.64 113.62 1jyu s THR 138 Ca 0.26 -0.25 -0.35 0.00 -1.21 0.00 0.00 61.69 60.14 1jyu s THR 138 Cb 0.16 -0.38 -0.16 0.00 -1.51 0.00 0.00 72.50 70.60 1jyu s THR 138 CO 0.22 -0.14 1.29 -0.24 -2.21 0.00 0.00 174.62 173.54 1jyu n SER 139 N 2.35 1.58 -0.14 8.08 2.88 -1.26 -4.39 113.62 122.72 1jyu n SER 139 Ca -0.16 1.13 -0.11 0.00 -1.33 0.00 0.00 58.87 58.39 1jyu n SER 139 Cb 0.57 -1.20 -0.01 0.00 -0.75 0.00 0.00 64.21 62.82 1jyu n SER 139 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1jyu h VAL 140 N 3.12 1.27 -3.06 2.46 2.07 -1.78 -3.44 116.25 116.90 1jyu h VAL 140 Ca -0.46 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 65.95 1jyu h VAL 140 Cb 1.34 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1jyu h VAL 140 CO 0.75 0.37 0.00 -0.24 0.02 0.00 0.00 177.57 178.48 1jyu n SER 141 N -4.37 0.00 0.00 0.57 2.88 -1.26 -5.05 113.62 106.39 1jyu n SER 141 Ca -0.01 -0.73 0.00 0.00 -1.33 0.00 0.00 58.87 56.81 1jyu n SER 141 Cb 0.33 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.79 1jyu n SER 141 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1jyu n ARG 142 N -0.73 4.32 -0.03 -1.46 3.00 -1.26 -4.79 116.66 115.71 1jyu n ARG 142 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 57.85 57.87 1jyu n ARG 142 Cb 0.00 -0.42 -0.12 0.00 0.00 0.00 0.00 32.46 31.92 1jyu n ARG 142 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1jyu n ASN 143 N -0.11 1.41 -4.45 6.15 0.23 -1.26 -4.96 115.26 112.27 1jyu n ASN 143 Ca 0.00 0.00 -0.25 0.00 -0.53 0.00 0.00 54.58 53.80 1jyu n ASN 143 Cb 0.00 1.39 -0.11 0.00 -2.08 0.00 0.00 39.78 38.99 1jyu n ASN 143 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 1jyu s GLN 144 N -2.81 1.63 -0.63 -3.83 -0.21 -1.26 -5.09 119.66 107.46 1jyu s GLN 144 Ca -0.06 -1.63 -0.07 0.00 0.02 0.00 0.00 55.36 53.62 1jyu s GLN 144 Cb 0.08 -1.82 0.16 0.00 1.00 0.00 0.00 33.01 32.43 1jyu s GLN 144 CO 0.63 0.37 0.48 -0.65 -2.12 0.00 0.00 175.29 174.00 1jyu s GLN 145 N -3.10 2.75 -0.30 2.91 -1.52 -1.26 -4.29 119.66 114.85 1jyu s GLN 145 Ca 0.25 -2.32 -0.01 0.00 -1.95 0.00 0.00 55.36 51.33 1jyu s GLN 145 Cb -0.07 -3.92 0.05 0.00 -0.22 0.00 0.00 33.01 28.86 1jyu s GLN 145 CO 0.13 -1.20 -0.02 0.42 -0.25 0.00 0.00 175.29 174.37 1jyu s ILE 146 N 0.34 2.84 0.09 1.08 1.01 -1.26 -5.02 121.20 120.28 1jyu s ILE 146 Ca 0.14 -1.45 -0.04 0.00 0.00 0.00 0.00 60.65 59.31 1jyu s ILE 146 Cb -0.19 -2.65 -0.05 0.00 0.01 0.00 0.00 42.46 39.58 1jyu s ILE 146 CO -0.04 -0.11 0.30 -0.36 0.00 0.00 0.00 174.94 174.73 1jyu s PHE 147 N 1.22 3.51 0.05 3.97 0.40 -1.26 -2.46 117.98 123.41 1jyu s PHE 147 Ca -0.06 0.46 -0.30 0.00 -0.60 0.00 0.00 56.93 56.43 1jyu s PHE 147 Cb -0.20 -1.92 -0.04 0.00 0.51 0.00 0.00 43.02 41.37 1jyu s PHE 147 CO -0.02 0.52 1.00 -0.51 0.70 0.00 0.00 175.22 176.92 1jyu s LEU 148 N -2.43 4.41 -0.09 -0.37 1.43 -0.41 -5.01 118.68 116.21 1jyu s LEU 148 Ca 0.36 1.76 0.00 0.00 -1.03 0.00 0.00 54.13 55.22 1jyu s LEU 148 Cb -0.13 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.54 1jyu s LEU 148 CO 0.24 -0.23 -0.07 -0.13 0.23 0.00 0.00 176.35 176.40 1jyu s ARG 149 N 0.66 1.32 0.20 1.70 0.52 -1.26 -4.59 118.95 117.50 1jyu s ARG 149 Ca 0.51 -0.21 -0.32 0.00 -0.52 0.00 0.00 55.73 55.19 1jyu s ARG 149 Cb -0.23 -1.35 -0.12 0.00 0.52 0.00 0.00 34.95 33.77 1jyu s ARG 149 CO 0.29 -0.18 1.73 -0.25 0.02 0.00 0.00 175.30 176.91 1jyu n ASP 150 N 4.61 3.97 0.00 0.23 8.00 -1.26 -5.23 116.55 126.88 1jyu n ASP 150 Ca -0.16 1.05 0.06 0.00 0.71 0.00 0.00 54.79 56.46 1jyu n ASP 150 Cb 0.50 -1.57 0.35 0.00 -0.02 0.00 0.00 41.12 40.39 1jyu n ASP 150 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11