#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jyn s ALA 2 N 0.00 -0.48 0.16 3.04 0.00 -0.82 -4.97 121.76 118.69 3jyn s ALA 2 Ca 0.00 -0.46 -0.10 0.00 0.00 0.00 0.00 51.96 51.41 3jyn s ALA 2 Cb 0.00 0.68 -0.06 0.00 0.00 0.00 0.00 23.12 23.74 3jyn s ALA 2 CO 0.00 -0.62 0.47 0.15 0.00 0.00 0.00 175.76 175.76 3jyn s LYS 3 N -3.87 3.79 0.20 0.00 -0.14 -1.26 -1.24 119.74 117.21 3jyn s LYS 3 Ca 0.08 0.21 -0.16 0.00 -1.36 0.00 0.00 55.97 54.74 3jyn s LYS 3 Cb 0.03 -2.83 0.02 0.00 -1.68 0.00 0.00 37.83 33.37 3jyn s LYS 3 CO -0.08 0.44 0.51 -0.98 -0.76 0.00 0.00 175.35 174.48 3jyn s ARG 4 N -2.38 1.40 -0.21 1.68 1.70 -0.40 -1.18 118.95 119.56 3jyn s ARG 4 Ca 0.40 -0.94 -0.06 0.00 -0.47 0.00 0.00 55.73 54.67 3jyn s ARG 4 Cb -0.13 0.51 -0.03 0.00 -0.57 0.00 0.00 34.95 34.73 3jyn s ARG 4 CO 0.21 -0.59 0.02 0.42 -1.08 0.00 0.00 175.30 174.28 3jyn s ILE 5 N -3.90 4.16 0.17 4.99 -1.09 0.35 -1.50 121.20 124.37 3jyn s ILE 5 Ca 0.11 -0.24 -0.04 0.00 -2.23 0.00 0.00 60.65 58.25 3jyn s ILE 5 Cb -0.01 -2.89 -0.03 0.00 -1.58 0.00 0.00 42.46 37.95 3jyn s ILE 5 CO -0.01 0.42 0.16 0.00 -1.23 0.00 0.00 174.94 174.28 3jyn s GLN 6 N 1.00 1.10 -0.01 2.79 -2.07 -0.54 -3.64 119.66 118.29 3jyn s GLN 6 Ca 0.02 -1.41 0.01 0.00 -1.82 0.00 0.00 55.36 52.16 3jyn s GLN 6 Cb -0.14 0.30 0.01 0.00 -1.09 0.00 0.00 33.01 32.09 3jyn s GLN 6 CO 0.02 -0.36 -0.01 -0.59 -1.32 0.00 0.00 175.29 173.03 3jyn s PHE 7 N -4.06 0.24 -1.33 9.60 -0.71 -0.71 -0.45 117.98 120.57 3jyn s PHE 7 Ca 0.26 -0.01 0.25 0.00 -1.04 0.00 0.00 56.93 56.39 3jyn s PHE 7 Cb 0.06 -0.25 0.42 0.00 -1.21 0.00 0.00 43.02 42.04 3jyn s PHE 7 CO 0.05 -0.06 1.35 0.43 -1.34 0.00 0.00 175.22 175.65 3jyn n SER 8 N 3.54 0.88 -3.56 1.98 7.64 -1.26 -1.11 113.62 121.73 3jyn n SER 8 Ca -0.19 -0.68 -0.17 0.00 1.01 0.00 0.00 58.87 58.84 3jyn n SER 8 Cb 0.55 0.35 -0.06 0.00 -1.01 0.00 0.00 64.21 64.04 3jyn n SER 8 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3jyn s THR 9 N -2.80 0.01 0.46 0.44 -1.32 -1.26 -4.73 115.64 106.45 3jyn s THR 9 Ca 0.15 -0.09 -0.18 0.00 -1.21 0.00 0.00 61.69 60.36 3jyn s THR 9 Cb 0.18 -0.94 -0.09 0.00 -1.51 0.00 0.00 72.50 70.13 3jyn s THR 9 CO 0.66 -0.05 0.95 0.68 -2.21 0.00 0.00 174.62 174.65 3jyn s VAL 10 N -1.47 4.48 -2.98 5.08 -7.23 -1.26 -4.88 120.40 112.15 3jyn s VAL 10 Ca -0.10 1.31 0.00 0.00 -1.81 0.00 0.00 61.98 61.38 3jyn s VAL 10 Cb -0.01 -3.66 0.00 0.00 0.56 0.00 0.00 36.38 33.27 3jyn s VAL 10 CO 0.07 -0.49 0.00 0.61 -0.31 0.00 0.00 175.10 174.98 3jyn n GLY 11 N -1.08 -0.56 2.07 2.32 0.00 0.17 -4.95 105.19 103.16 3jyn n GLY 11 Ca 0.06 -0.59 -0.14 0.00 0.00 0.00 0.00 46.02 45.35 3jyn n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jyn n GLY 12 N 0.00 -0.55 0.46 -0.02 0.00 -1.26 -3.58 105.19 100.23 3jyn n GLY 12 Ca 0.00 -1.81 0.27 0.00 0.00 0.00 0.00 46.02 44.49 3jyn n GLY 12 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3jyn h PRO 13 N 0.00 0.14 0.00 1.61 0.11 -1.95 -1.12 132.00 130.79 3jyn h PRO 13 Ca -0.21 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3jyn h PRO 13 Cb 0.64 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.72 3jyn h PRO 13 CO 0.17 0.09 0.00 1.05 -0.21 0.00 0.00 178.00 179.11 3jyn h GLU 14 N 0.15 0.00 0.00 1.05 9.09 -1.96 -1.82 114.58 121.08 3jyn h GLU 14 Ca 0.50 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.91 3jyn h GLU 14 Cb 1.71 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.81 3jyn h GLU 14 CO -0.09 0.00 -0.03 0.28 0.05 0.00 0.00 179.01 179.22 3jyn h VAL 15 N 0.00 0.07 -3.54 -1.06 2.07 -1.54 -3.44 116.25 108.81 3jyn h VAL 15 Ca 0.00 -0.65 -0.52 0.00 0.82 0.00 0.00 66.70 66.35 3jyn h VAL 15 Cb 0.02 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 3jyn h VAL 15 CO 0.00 0.03 0.47 -0.76 0.02 0.00 0.00 177.57 177.33 3jyn s LEU 16 N -6.26 4.48 -0.04 2.57 1.43 -0.69 -4.37 118.68 115.80 3jyn s LEU 16 Ca 0.02 2.05 0.03 0.00 -1.03 0.00 0.00 54.13 55.19 3jyn s LEU 16 Cb 0.09 -3.60 0.01 0.00 0.03 0.00 0.00 46.19 42.71 3jyn s LEU 16 CO 0.57 -0.22 -0.11 -1.61 0.23 0.00 0.00 176.35 175.21 3jyn s GLU 17 N -0.24 1.37 -0.56 1.70 2.02 0.40 -4.95 118.70 118.45 3jyn s GLU 17 Ca 0.50 -0.39 -0.18 0.00 0.02 0.00 0.00 54.97 54.91 3jyn s GLU 17 Cb -0.29 -1.20 0.09 0.00 0.10 0.00 0.00 34.13 32.84 3jyn s GLU 17 CO 0.34 0.10 0.64 -0.47 0.02 0.00 0.00 175.26 175.89 3jyn s TYR 18 N 0.38 3.06 0.26 1.61 5.04 -1.26 -1.47 117.35 124.96 3jyn s TYR 18 Ca -0.08 -0.90 0.03 0.00 -2.44 0.00 0.00 57.07 53.68 3jyn s TYR 18 Cb -0.12 -3.82 -0.04 0.00 0.35 0.00 0.00 41.96 38.33 3jyn s TYR 18 CO 0.02 -1.17 0.20 0.14 -1.34 0.00 0.00 175.55 173.40 3jyn s VAL 19 N 2.47 0.00 0.37 3.14 -7.23 -0.56 -4.93 120.40 113.66 3jyn s VAL 19 Ca 0.11 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 58.04 3jyn s VAL 19 Cb -0.24 -2.50 -0.10 0.00 0.56 0.00 0.00 36.38 34.10 3jyn s VAL 19 CO 0.07 0.00 0.96 -1.81 -0.31 0.00 0.00 175.10 174.01 3jyn s ASP 20 N -3.26 7.13 0.15 4.85 -0.00 -1.26 -1.27 116.67 123.02 3jyn s ASP 20 Ca 0.40 1.80 -0.16 0.00 -0.00 0.00 0.00 52.55 54.59 3jyn s ASP 20 Cb 0.05 -2.57 0.03 0.00 -0.00 0.00 0.00 42.92 40.43 3jyn s ASP 20 CO 0.19 -0.22 0.44 0.72 -0.00 0.00 0.00 175.17 176.30 3jyn s PHE 21 N -1.83 -0.14 -0.40 4.23 -0.12 -0.38 -4.94 117.98 114.41 3jyn s PHE 21 Ca 0.55 -0.19 -0.09 0.00 -0.05 0.00 0.00 56.93 57.16 3jyn s PHE 21 Cb -0.15 0.29 0.06 0.00 -0.63 0.00 0.00 43.02 42.59 3jyn s PHE 21 CO 0.20 -0.78 0.22 -2.00 -0.05 0.00 0.00 175.22 172.81 3jyn s GLU 22 N -3.84 2.62 0.36 1.99 2.12 -1.26 -1.94 118.70 118.76 3jyn s GLU 22 Ca 0.06 -1.36 -0.27 0.00 0.36 0.00 0.00 54.97 53.77 3jyn s GLU 22 Cb 0.01 -3.71 -0.12 0.00 0.26 0.00 0.00 34.13 30.58 3jyn s GLU 22 CO -0.08 -0.86 1.16 -2.30 -0.54 0.00 0.00 175.26 172.64 3jyn n PRO 23 N 4.90 1.76 -2.24 4.30 -0.02 -1.26 -4.96 135.00 137.47 3jyn n PRO 23 Ca -0.11 0.62 -0.32 0.00 -2.02 0.00 0.00 63.50 61.67 3jyn n PRO 23 Cb 0.44 -2.17 -0.01 0.00 -0.02 0.00 0.00 33.50 31.73 3jyn n PRO 23 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3jyn s GLU 24 N -1.90 3.66 -0.11 -0.52 0.41 -1.26 -5.01 118.70 113.98 3jyn s GLU 24 Ca 0.59 1.08 -0.30 0.00 -0.41 0.00 0.00 54.97 55.93 3jyn s GLU 24 Cb -0.58 -2.09 -0.02 0.00 -1.78 0.00 0.00 34.13 29.66 3jyn s GLU 24 CO 0.60 -0.52 1.20 0.00 -0.49 0.00 0.00 175.26 176.05 3jyn s ALA 25 N -2.53 3.56 0.21 5.21 0.00 -1.26 -4.96 121.76 121.98 3jyn s ALA 25 Ca 0.61 0.52 -0.31 0.00 0.00 0.00 0.00 51.96 52.78 3jyn s ALA 25 Cb -0.13 -3.55 -0.15 0.00 0.00 0.00 0.00 23.12 19.29 3jyn s ALA 25 CO 0.33 -0.91 1.11 -0.35 0.00 0.00 0.00 175.76 175.95 3jyn n PRO 26 N 5.72 1.22 -1.00 0.00 -0.04 -1.26 -4.98 135.00 134.66 3jyn n PRO 26 Ca 0.12 0.43 -0.30 0.00 -0.04 0.00 0.00 63.50 63.71 3jyn n PRO 26 Cb 0.46 -1.89 0.25 0.00 -0.04 0.00 0.00 33.50 32.28 3jyn n PRO 26 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 3jyn s GLY 27 N -0.17 1.57 0.43 0.55 0.00 -1.26 -4.77 107.32 103.67 3jyn s GLY 27 Ca 0.69 -1.01 0.12 0.00 0.00 0.00 0.00 44.72 44.51 3jyn s GLY 27 CO 0.54 -0.08 2.02 -0.56 0.00 0.00 0.00 173.10 175.03 3jyn h PRO 28 N -2.75 0.42 -0.17 2.90 0.13 -1.93 -2.47 132.00 128.13 3jyn h PRO 28 Ca -0.43 -0.03 -0.07 0.00 -0.87 0.00 0.00 66.00 64.60 3jyn h PRO 28 Cb 1.29 -0.10 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 3jyn h PRO 28 CO 0.30 0.28 -0.17 1.04 -0.23 0.00 0.00 178.00 179.22 3jyn n GLN 29 N -4.47 1.82 -4.08 0.86 6.02 -1.26 -0.56 117.38 115.70 3jyn n GLN 29 Ca 0.07 -3.06 -0.22 0.00 -0.01 0.00 0.00 57.00 53.78 3jyn n GLN 29 Cb 0.24 -1.70 -0.04 0.00 1.02 0.00 0.00 30.24 29.75 3jyn n GLN 29 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3jyn s ALA 30 N -3.11 3.63 -0.03 -1.58 0.00 -0.93 -1.60 121.76 118.14 3jyn s ALA 30 Ca 0.40 -1.42 0.03 0.00 0.00 0.00 0.00 51.96 50.97 3jyn s ALA 30 Cb 0.36 -1.32 -0.00 0.00 0.00 0.00 0.00 23.12 22.16 3jyn s ALA 30 CO -0.00 0.23 -0.11 0.08 0.00 0.00 0.00 175.76 175.96 3jyn s VAL 31 N -2.14 0.95 -0.29 0.00 1.01 0.64 -1.29 120.40 119.28 3jyn s VAL 31 Ca 0.33 -0.46 -0.13 0.00 0.00 0.00 0.00 61.98 61.72 3jyn s VAL 31 Cb -0.08 -0.82 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 3jyn s VAL 31 CO 0.25 0.28 0.28 -0.69 0.00 0.00 0.00 175.10 175.23 3jyn s VAL 32 N 0.07 5.24 -0.15 2.92 1.01 -0.03 -1.94 120.40 127.52 3jyn s VAL 32 Ca -0.02 0.22 -0.03 0.00 0.00 0.00 0.00 61.98 62.16 3jyn s VAL 32 Cb -0.08 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 3jyn s VAL 32 CO 0.01 0.14 -0.06 -0.69 0.00 0.00 0.00 175.10 174.49 3jyn s VAL 33 N 1.89 3.66 -0.84 2.92 1.01 0.38 -0.07 120.40 129.34 3jyn s VAL 33 Ca 0.10 -0.44 -0.18 0.00 0.00 0.00 0.00 61.98 61.45 3jyn s VAL 33 Cb -0.16 -2.59 0.14 0.00 0.00 0.00 0.00 36.38 33.77 3jyn s VAL 33 CO 0.11 0.50 0.99 -0.60 0.00 0.00 0.00 175.10 176.10 3jyn s ARG 34 N 0.34 3.48 0.32 2.72 6.06 0.12 -1.32 118.95 130.66 3jyn s ARG 34 Ca -0.06 -1.73 -0.30 0.00 -2.50 0.00 0.00 55.73 51.14 3jyn s ARG 34 Cb -0.15 -4.67 -0.11 0.00 0.06 0.00 0.00 34.95 30.08 3jyn s ARG 34 CO 0.04 -1.66 1.58 -0.80 -2.50 0.00 0.00 175.30 171.96 3jyn s ASN 35 N 3.38 6.34 -0.02 -2.12 0.02 -0.77 -2.04 114.94 119.72 3jyn s ASN 35 Ca 0.26 3.00 0.07 0.00 -1.02 0.00 0.00 52.86 55.18 3jyn s ASN 35 Cb -0.10 -2.64 -0.11 0.00 0.02 0.00 0.00 41.25 38.42 3jyn s ASN 35 CO -0.05 -0.93 0.14 0.29 0.02 0.00 0.00 177.10 176.57 3jyn n LYS 36 N 1.77 0.75 -3.73 -0.60 4.76 -0.05 -4.76 118.16 116.31 3jyn n LYS 36 Ca 0.07 -0.06 -0.13 0.00 -2.87 0.00 0.00 58.31 55.32 3jyn n LYS 36 Cb 0.38 -1.18 -0.10 0.00 -1.84 0.00 0.00 35.03 32.28 3jyn n LYS 36 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3jyn s ALA 37 N -2.46 -1.01 -0.03 7.82 0.00 -0.87 -4.45 121.76 120.77 3jyn s ALA 37 Ca -0.03 1.21 0.06 0.00 0.00 0.00 0.00 51.96 53.20 3jyn s ALA 37 Cb 0.04 -0.71 -0.01 0.00 0.00 0.00 0.00 23.12 22.44 3jyn s ALA 37 CO 0.31 -0.21 -0.20 0.42 0.00 0.00 0.00 175.76 176.09 3jyn s ILE 38 N 0.45 1.62 0.56 0.00 1.01 0.14 -1.17 121.20 123.82 3jyn s ILE 38 Ca -0.02 -0.85 -0.13 0.00 0.00 0.00 0.00 60.65 59.65 3jyn s ILE 38 Cb -0.04 -1.36 -0.06 0.00 0.01 0.00 0.00 42.46 41.01 3jyn s ILE 38 CO -0.02 0.46 0.99 -0.83 0.00 0.00 0.00 174.94 175.53 3jyn s GLY 39 N -0.27 1.82 -0.19 6.18 0.00 -0.55 -0.13 107.32 114.19 3jyn s GLY 39 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.73 3jyn s GLY 39 CO 0.01 0.24 -0.18 -2.27 0.00 0.00 0.00 173.10 170.90 3jyn s LEU 40 N -4.67 2.26 0.04 0.66 2.96 -1.15 -4.75 118.68 114.03 3jyn s LEU 40 Ca 0.56 -0.64 0.03 0.00 -0.22 0.00 0.00 54.13 53.86 3jyn s LEU 40 Cb -0.11 -1.51 -0.02 0.00 0.50 0.00 0.00 46.19 45.05 3jyn s LEU 40 CO 0.44 -0.01 -0.10 0.20 -1.32 0.00 0.00 176.35 175.56 3jyn s ASN 41 N 1.31 1.10 0.33 3.68 0.01 -1.26 -4.73 114.94 115.37 3jyn s ASN 41 Ca 0.05 -0.44 0.07 0.00 -0.71 0.00 0.00 52.86 51.82 3jyn s ASN 41 Cb -0.13 -0.03 0.76 0.00 0.41 0.00 0.00 41.25 42.25 3jyn s ASN 41 CO -0.12 -0.08 1.85 0.15 -1.51 0.00 0.00 177.10 177.40 3jyn h PHE 42 N 4.89 0.91 -0.03 2.20 3.04 -1.99 0.14 116.94 126.10 3jyn h PHE 42 Ca -0.35 0.03 0.01 0.00 3.98 0.00 0.00 57.97 61.63 3jyn h PHE 42 Cb 1.19 -0.29 -0.00 0.00 2.56 0.00 0.00 35.95 39.42 3jyn h PHE 42 CO 0.57 0.33 0.05 0.97 -2.02 0.00 0.00 178.31 178.20 3jyn h ILE 43 N 0.76 0.33 -0.57 1.41 2.10 -2.00 -0.80 117.51 118.74 3jyn h ILE 43 Ca 0.47 0.00 -0.02 0.00 1.08 0.00 0.00 64.86 66.40 3jyn h ILE 43 Cb 0.70 0.96 -0.03 0.00 -1.09 0.00 0.00 36.82 37.36 3jyn h ILE 43 CO -0.24 0.00 0.29 0.44 -1.08 0.00 0.00 178.15 177.56 3jyn h ASP 44 N 0.00 0.71 0.74 2.19 3.32 -1.14 -1.39 116.42 120.85 3jyn h ASP 44 Ca 0.01 -0.06 -0.11 0.00 0.02 0.00 0.00 57.03 56.90 3jyn h ASP 44 Cb 0.11 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 3jyn h ASP 44 CO -0.00 0.59 -0.50 0.71 -1.72 0.00 0.00 179.24 178.32 3jyn h THR 45 N 0.80 1.17 -0.03 0.35 1.35 -1.26 -2.59 112.91 112.70 3jyn h THR 45 Ca 0.20 -1.84 -0.19 0.00 -0.55 0.00 0.00 66.41 64.03 3jyn h THR 45 Cb 0.06 2.05 -0.01 0.00 -1.73 0.00 0.00 68.15 68.52 3jyn h THR 45 CO -0.03 0.49 -0.79 1.88 -0.25 0.00 0.00 175.52 176.82 3jyn h TYR 46 N 0.00 0.40 -0.20 4.73 0.05 -1.26 0.98 116.97 121.68 3jyn h TYR 46 Ca -0.01 -0.19 -0.14 0.00 0.05 0.00 0.00 58.73 58.44 3jyn h TYR 46 Cb 1.01 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 38.69 3jyn h TYR 46 CO 0.00 0.96 -0.42 1.88 -1.05 0.00 0.00 178.16 179.53 3jyn h TYR 47 N 0.18 0.81 -0.37 4.88 0.05 -1.36 0.10 116.97 121.26 3jyn h TYR 47 Ca -0.04 -0.30 -0.07 0.00 0.05 0.00 0.00 58.73 58.38 3jyn h TYR 47 Cb 1.38 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 38.95 3jyn h TYR 47 CO 0.04 1.06 -0.05 -0.09 -1.05 0.00 0.00 178.16 178.07 3jyn h ARG 48 N 0.32 0.60 0.00 4.88 1.12 -1.38 -2.47 114.38 117.45 3jyn h ARG 48 Ca 0.00 -0.16 0.00 0.00 -1.11 0.00 0.00 59.98 58.72 3jyn h ARG 48 Cb 1.02 -0.07 0.00 0.00 -0.01 0.00 0.00 29.97 30.91 3jyn h ARG 48 CO 0.09 0.66 -0.03 0.66 -3.11 0.00 0.00 179.97 178.24 3jyn h SER 49 N 0.56 0.00 0.00 -3.80 4.64 -0.73 0.51 113.55 114.73 3jyn h SER 49 Ca 0.11 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 3jyn h SER 49 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3jyn h SER 49 CO 0.02 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.59 3jyn n GLY 50 N 1.26 0.64 0.28 -0.77 0.00 -0.54 -4.08 105.19 101.97 3jyn n GLY 50 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.14 3jyn n GLY 50 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3jyn h LEU 51 N 0.00 0.16 -7.60 0.99 6.46 -1.10 -3.33 115.31 110.89 3jyn h LEU 51 Ca 0.00 -0.00 -0.61 0.00 -0.12 0.00 0.00 57.88 57.14 3jyn h LEU 51 Cb 0.00 -0.04 -0.38 0.00 -0.73 0.00 0.00 40.66 39.50 3jyn h LEU 51 CO 0.00 0.12 -0.78 -0.31 -0.62 0.00 0.00 178.44 176.85 3jyn s TYR 52 N -5.21 2.43 0.50 1.25 2.02 -0.99 -5.01 117.35 112.34 3jyn s TYR 52 Ca -0.06 -1.83 -0.23 0.00 -0.37 0.00 0.00 57.07 54.58 3jyn s TYR 52 Cb 0.17 -1.68 -0.06 0.00 -0.40 0.00 0.00 41.96 39.99 3jyn s TYR 52 CO 0.69 -0.79 1.30 -1.25 -1.57 0.00 0.00 175.55 173.92 3jyn s PRO 53 N 1.38 3.45 0.42 -1.71 0.04 -1.25 -4.39 135.00 132.94 3jyn s PRO 53 Ca -0.04 2.09 -0.01 0.00 0.04 0.00 0.00 61.00 63.09 3jyn s PRO 53 Cb -0.19 -2.38 -0.02 0.00 0.04 0.00 0.00 34.50 31.95 3jyn s PRO 53 CO -0.08 -0.89 0.66 0.00 0.04 0.00 0.00 177.00 176.73 3jyn s ALA 54 N -1.37 3.64 -0.13 8.56 0.00 -1.26 -4.99 121.76 126.22 3jyn s ALA 54 Ca 0.67 -0.87 0.30 0.00 0.00 0.00 0.00 51.96 52.05 3jyn s ALA 54 Cb -0.37 -2.24 1.16 0.00 0.00 0.00 0.00 23.12 21.68 3jyn s ALA 54 CO 0.44 -0.25 1.88 -1.00 0.00 0.00 0.00 175.76 176.83 3jyn h PRO 55 N 0.48 0.00 -1.71 0.00 0.13 -1.99 -3.46 132.00 125.44 3jyn h PRO 55 Ca -0.48 0.00 0.22 0.00 -0.87 0.00 0.00 66.00 64.87 3jyn h PRO 55 Cb 1.23 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 32.19 3jyn h PRO 55 CO 0.60 0.00 0.72 -0.59 -0.23 0.00 0.00 178.00 178.50 3jyn s PHE 56 N -3.52 -0.18 -0.01 1.56 -0.12 -1.26 -5.17 117.98 109.29 3jyn s PHE 56 Ca 0.03 0.10 0.07 0.00 -0.05 0.00 0.00 56.93 57.07 3jyn s PHE 56 Cb 0.09 0.53 -0.02 0.00 -0.63 0.00 0.00 43.02 42.99 3jyn s PHE 56 CO 0.52 -0.32 -0.23 -0.51 -0.05 0.00 0.00 175.22 174.63 3jyn s LEU 57 N -2.34 2.06 0.53 -1.99 1.43 -1.26 -3.45 118.68 113.66 3jyn s LEU 57 Ca 0.09 -0.42 -0.20 0.00 -1.03 0.00 0.00 54.13 52.56 3jyn s LEU 57 Cb -0.01 -1.15 -0.06 0.00 0.03 0.00 0.00 46.19 45.00 3jyn s LEU 57 CO -0.06 0.27 1.15 -2.16 0.23 0.00 0.00 176.35 175.78 3jyn s PRO 58 N -0.61 3.41 0.08 1.29 0.04 -1.26 -5.06 135.00 132.90 3jyn s PRO 58 Ca 0.09 1.67 0.10 0.00 0.04 0.00 0.00 61.00 62.89 3jyn s PRO 58 Cb -0.09 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.33 3jyn s PRO 58 CO -0.01 -0.81 -0.25 0.45 0.04 0.00 0.00 177.00 176.42 3jyn s SER 59 N -1.66 3.35 1.06 6.66 0.15 -0.27 -4.92 113.70 118.07 3jyn s SER 59 Ca 0.71 -0.63 -0.11 0.00 0.70 0.00 0.00 55.95 56.63 3jyn s SER 59 Cb -0.26 -0.32 0.15 0.00 -1.71 0.00 0.00 66.02 63.89 3jyn s SER 59 CO 0.29 0.23 0.72 0.61 1.20 0.00 0.00 173.24 176.28 3jyn n GLY 60 N 1.38 -1.92 3.26 9.45 0.00 -1.26 -1.73 105.19 114.36 3jyn n GLY 60 Ca -0.17 -1.60 -0.10 0.00 0.00 0.00 0.00 46.02 44.15 3jyn n GLY 60 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3jyn s LEU 61 N 0.00 0.87 0.00 0.99 0.20 -1.24 -4.53 118.68 114.97 3jyn s LEU 61 Ca 0.43 -0.39 0.00 0.00 0.69 0.00 0.00 54.13 54.86 3jyn s LEU 61 Cb -0.02 1.44 0.00 0.00 -0.43 0.00 0.00 46.19 47.18 3jyn s LEU 61 CO 0.31 -0.75 0.00 0.61 -0.29 0.00 0.00 176.35 176.24 3jyn n GLY 62 N 0.04 -0.19 0.14 7.98 0.00 -1.26 -0.45 105.19 111.45 3jyn n GLY 62 Ca -0.16 -1.40 0.01 0.00 0.00 0.00 0.00 46.02 44.47 3jyn n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jyn n ALA 63 N 0.61 1.63 -2.89 4.61 0.00 -1.26 -0.79 120.51 122.43 3jyn n ALA 63 Ca 0.00 -1.02 -0.22 0.00 0.00 0.00 0.00 53.44 52.21 3jyn n ALA 63 Cb 0.00 -0.18 -0.15 0.00 0.00 0.00 0.00 19.45 19.12 3jyn n ALA 63 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3jyn s GLU 64 N -0.59 1.13 -0.06 0.00 2.12 -1.26 -2.64 118.70 117.41 3jyn s GLU 64 Ca 0.04 -0.40 -0.30 0.00 0.36 0.00 0.00 54.97 54.67 3jyn s GLU 64 Cb 0.04 -1.04 0.11 0.00 0.26 0.00 0.00 34.13 33.49 3jyn s GLU 64 CO 0.00 0.18 1.34 0.20 -0.54 0.00 0.00 175.26 176.44 3jyn s GLY 65 N 0.03 -0.24 -0.19 -1.50 0.00 -0.60 -1.48 107.32 103.34 3jyn s GLY 65 Ca -0.01 0.28 -0.18 0.00 0.00 0.00 0.00 44.72 44.80 3jyn s GLY 65 CO 0.01 4.79 0.52 0.00 0.00 0.00 0.00 173.10 178.42 3jyn s ALA 66 N -2.05 -1.29 0.00 3.20 0.00 -0.31 -0.85 121.76 120.44 3jyn s ALA 66 Ca 0.27 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.67 3jyn s ALA 66 Cb 0.01 -0.81 0.00 0.00 0.00 0.00 0.00 23.12 22.32 3jyn s ALA 66 CO -0.03 -0.25 0.00 0.41 0.00 0.00 0.00 175.76 175.89 3jyn n GLY 67 N 2.71 1.34 3.72 0.00 0.00 -0.31 -0.87 105.19 111.78 3jyn n GLY 67 Ca -0.14 -0.59 -0.35 0.00 0.00 0.00 0.00 46.02 44.94 3jyn n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3jyn s VAL 68 N -2.09 4.68 0.07 1.61 1.01 -0.87 -1.15 120.40 123.66 3jyn s VAL 68 Ca 0.00 -0.10 -0.31 0.00 0.00 0.00 0.00 61.98 61.57 3jyn s VAL 68 Cb 0.00 -3.01 -0.07 0.00 0.00 0.00 0.00 36.38 33.30 3jyn s VAL 68 CO 0.00 0.59 1.40 -0.69 0.00 0.00 0.00 175.10 176.40 3jyn s VAL 69 N -0.71 3.47 -0.13 2.92 1.01 0.03 0.11 120.40 127.09 3jyn s VAL 69 Ca 0.12 0.99 0.07 0.00 0.00 0.00 0.00 61.98 63.16 3jyn s VAL 69 Cb -0.12 -3.63 -0.13 0.00 0.00 0.00 0.00 36.38 32.50 3jyn s VAL 69 CO 0.02 0.04 -0.03 1.21 0.00 0.00 0.00 175.10 176.35 3jyn n GLU 70 N 4.58 1.40 -3.88 2.72 2.13 0.90 -0.89 120.64 127.61 3jyn n GLU 70 Ca 0.12 0.03 -0.10 0.00 0.66 0.00 0.00 57.16 57.87 3jyn n GLU 70 Cb 0.43 -1.31 -0.09 0.00 0.27 0.00 0.00 31.44 30.73 3jyn n GLU 70 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3jyn s ALA 71 N -2.30 -0.25 0.02 4.31 0.00 -1.14 -4.87 121.76 117.53 3jyn s ALA 71 Ca -0.12 -0.35 0.02 0.00 0.00 0.00 0.00 51.96 51.52 3jyn s ALA 71 Cb 0.04 0.23 -0.01 0.00 0.00 0.00 0.00 23.12 23.38 3jyn s ALA 71 CO 0.45 -0.31 -0.08 0.08 0.00 0.00 0.00 175.76 175.90 3jyn s VAL 72 N -2.33 0.60 0.76 0.00 1.01 -1.26 -0.85 120.40 118.32 3jyn s VAL 72 Ca -0.07 -0.63 -0.11 0.00 0.00 0.00 0.00 61.98 61.17 3jyn s VAL 72 Cb -0.02 -0.56 0.05 0.00 0.00 0.00 0.00 36.38 35.84 3jyn s VAL 72 CO -0.03 -0.04 1.10 -0.83 0.00 0.00 0.00 175.10 175.30 3jyn s GLY 73 N -0.74 1.77 0.53 4.51 0.00 -0.41 -4.92 107.32 108.06 3jyn s GLY 73 Ca -0.02 0.34 0.19 0.00 0.00 0.00 0.00 44.72 45.24 3jyn s GLY 73 CO 0.00 0.69 2.16 -0.55 0.00 0.00 0.00 173.10 175.40 3jyn h ASP 74 N -0.94 0.00 -0.15 1.64 3.45 -1.74 -2.28 116.42 116.40 3jyn h ASP 74 Ca -0.44 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.02 3jyn h ASP 74 Cb 1.24 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.01 3jyn h ASP 74 CO 0.51 0.02 0.00 -0.62 -1.57 0.00 0.00 179.24 177.59 3jyn n GLU 75 N -4.33 1.89 -3.07 3.56 1.02 0.27 -4.89 120.64 115.09 3jyn n GLU 75 Ca -0.03 -1.33 -0.40 0.00 -0.02 0.00 0.00 57.16 55.39 3jyn n GLU 75 Cb 0.11 -1.44 -0.05 0.00 -0.02 0.00 0.00 31.44 30.04 3jyn n GLU 75 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3jyn s VAL 76 N -1.81 5.06 0.00 2.62 1.01 -0.86 -4.89 120.40 121.52 3jyn s VAL 76 Ca 0.34 1.40 0.00 0.00 0.00 0.00 0.00 61.98 63.72 3jyn s VAL 76 Cb 0.19 -4.02 0.00 0.00 0.00 0.00 0.00 36.38 32.55 3jyn s VAL 76 CO 0.29 0.25 0.00 0.35 0.00 0.00 0.00 175.10 175.99 3jyn n THR 77 N 3.80 0.00 0.05 3.92 -2.24 -1.26 -4.74 114.28 113.82 3jyn n THR 77 Ca -0.02 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.73 3jyn n THR 77 Cb 0.51 0.30 0.20 0.00 -2.10 0.00 0.00 70.33 69.24 3jyn n THR 77 CO 0.00 0.00 0.00 0.03 -0.57 0.00 0.00 175.07 174.53 3jyn h ARG 78 N 0.00 0.37 -6.83 -0.78 3.08 -2.01 -3.44 114.38 104.77 3jyn h ARG 78 Ca 0.00 -0.16 -0.68 0.00 0.07 0.00 0.00 59.98 59.21 3jyn h ARG 78 Cb 0.04 -0.01 -0.21 0.00 0.08 0.00 0.00 29.97 29.88 3jyn h ARG 78 CO 0.00 0.68 -0.85 -0.06 -1.07 0.00 0.00 179.97 178.67 3jyn s PHE 79 N -4.28 2.35 0.07 3.04 0.08 -1.26 -5.08 117.98 112.89 3jyn s PHE 79 Ca -0.06 -0.36 0.01 0.00 0.12 0.00 0.00 56.93 56.65 3jyn s PHE 79 Cb 0.13 -1.25 -0.04 0.00 -0.57 0.00 0.00 43.02 41.30 3jyn s PHE 79 CO 0.79 0.37 -0.05 -1.59 -0.10 0.00 0.00 175.22 174.64 3jyn s LYS 80 N -2.18 0.66 0.23 0.44 -2.85 -1.26 -4.97 119.74 109.81 3jyn s LYS 80 Ca 0.16 -1.13 -0.30 0.00 -1.00 0.00 0.00 55.97 53.70 3jyn s LYS 80 Cb -0.10 -0.07 -0.15 0.00 -2.06 0.00 0.00 37.83 35.46 3jyn s LYS 80 CO 0.07 -0.04 1.10 1.33 0.10 0.00 0.00 175.35 177.92 3jyn n VAL 81 N 0.43 1.42 0.00 1.79 0.24 -1.26 -1.69 118.33 119.26 3jyn n VAL 81 Ca -0.16 -0.36 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 3jyn n VAL 81 Cb 0.59 -0.96 0.00 0.00 -1.47 0.00 0.00 33.84 32.01 3jyn n VAL 81 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3jyn n GLY 82 N 1.67 3.39 3.76 7.63 0.00 -0.06 -4.97 105.19 116.60 3jyn n GLY 82 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 3jyn n GLY 82 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3jyn n ASP 83 N 0.01 3.73 -4.54 1.61 8.00 -0.68 -4.58 116.55 120.10 3jyn n ASP 83 Ca 0.00 1.21 -0.42 0.00 0.71 0.00 0.00 54.79 56.29 3jyn n ASP 83 Cb 0.00 -1.60 -0.07 0.00 -0.02 0.00 0.00 41.12 39.42 3jyn n ASP 83 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3jyn s ARG 84 N -1.73 3.49 0.36 -1.24 0.52 -1.26 -0.79 118.95 118.30 3jyn s ARG 84 Ca 0.56 -0.23 0.05 0.00 -0.52 0.00 0.00 55.73 55.58 3jyn s ARG 84 Cb -0.49 -3.86 -0.07 0.00 0.52 0.00 0.00 34.95 31.05 3jyn s ARG 84 CO 0.60 -0.77 0.04 0.14 0.02 0.00 0.00 175.30 175.33 3jyn s VAL 85 N 2.54 1.50 0.06 3.52 -7.23 -0.30 0.00 120.40 120.49 3jyn s VAL 85 Ca 0.20 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.29 3jyn s VAL 85 Cb -0.15 -2.87 -0.01 0.00 0.56 0.00 0.00 36.38 33.92 3jyn s VAL 85 CO 0.15 -0.00 0.15 0.00 -0.31 0.00 0.00 175.10 175.09 3jyn s ALA 86 N -3.08 -0.17 -0.01 1.32 0.00 -0.92 -1.16 121.76 117.75 3jyn s ALA 86 Ca 0.36 -0.54 -0.19 0.00 0.00 0.00 0.00 51.96 51.59 3jyn s ALA 86 Cb 0.09 0.34 0.03 0.00 0.00 0.00 0.00 23.12 23.59 3jyn s ALA 86 CO 0.16 -0.40 0.40 1.52 0.00 0.00 0.00 175.76 177.45 3jyn s TYR 87 N -3.13 -0.29 0.00 0.00 -0.85 -0.03 -1.83 117.35 111.21 3jyn s TYR 87 Ca -0.01 0.44 0.00 0.00 -0.52 0.00 0.00 57.07 56.98 3jyn s TYR 87 Cb 0.02 0.18 0.00 0.00 0.38 0.00 0.00 41.96 42.54 3jyn s TYR 87 CO -0.07 -0.47 0.53 0.41 -1.52 0.00 0.00 175.55 174.43 3jyn n GLY 88 N 1.07 -1.68 3.31 5.49 0.00 -1.25 -1.55 105.19 110.58 3jyn n GLY 88 Ca -0.21 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 3jyn n GLY 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3jyn s THR 89 N -0.15 0.05 -0.51 2.61 -4.23 -1.08 -4.67 115.64 107.65 3jyn s THR 89 Ca 0.00 -1.62 0.00 0.00 -1.18 0.00 0.00 61.69 58.89 3jyn s THR 89 Cb 0.00 -2.07 0.00 0.00 1.34 0.00 0.00 72.50 71.77 3jyn s THR 89 CO 0.00 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.47 3jyn n GLY 90 N -0.23 0.32 3.74 3.99 0.00 -1.26 -4.84 105.19 106.90 3jyn n GLY 90 Ca -0.04 -2.27 -0.30 0.00 0.00 0.00 0.00 46.02 43.41 3jyn n GLY 90 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3jyn s PRO 91 N -0.20 1.67 0.68 1.61 0.04 -1.26 -4.89 135.00 132.64 3jyn s PRO 91 Ca 0.00 1.00 -0.15 0.00 0.04 0.00 0.00 61.00 61.89 3jyn s PRO 91 Cb 0.00 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.71 3jyn s PRO 91 CO 0.00 -2.01 1.15 -0.51 0.04 0.00 0.00 177.00 175.67 3jyn s LEU 92 N -6.11 3.39 0.00 -3.56 1.43 -1.26 -4.58 118.68 107.98 3jyn s LEU 92 Ca 0.63 2.16 0.00 0.00 -1.03 0.00 0.00 54.13 55.88 3jyn s LEU 92 Cb -0.18 -4.57 0.00 0.00 0.03 0.00 0.00 46.19 41.47 3jyn s LEU 92 CO 0.57 -1.86 0.00 0.61 0.23 0.00 0.00 176.35 175.90 3jyn n GLY 93 N -0.10 -0.05 0.31 -3.19 0.00 -0.44 -4.73 105.19 97.00 3jyn n GLY 93 Ca 0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.25 3jyn n GLY 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jyn h ALA 94 N 0.00 2.13 0.00 4.61 0.00 0.07 -3.20 119.26 122.86 3jyn h ALA 94 Ca 0.00 -0.01 -0.45 0.00 0.00 0.00 0.00 54.91 54.45 3jyn h ALA 94 Cb 0.00 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.80 3jyn h ALA 94 CO 0.00 -0.19 2.86 0.66 0.00 0.00 0.00 179.25 182.58 3jyn n TYR 95 N -4.48 1.62 -3.82 0.00 4.02 0.40 -4.79 117.16 110.12 3jyn n TYR 95 Ca 0.03 -2.20 -0.09 0.00 -0.01 0.00 0.00 57.90 55.63 3jyn n TYR 95 Cb 0.28 -1.85 -0.05 0.00 -0.02 0.00 0.00 39.34 37.71 3jyn n TYR 95 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 3jyn s SER 96 N 3.23 -0.18 0.22 7.72 0.01 -1.21 -0.50 113.70 122.99 3jyn s SER 96 Ca 0.46 -0.61 0.11 0.00 1.31 0.00 0.00 55.95 57.22 3jyn s SER 96 Cb 0.12 0.55 0.11 0.00 0.21 0.00 0.00 66.02 67.02 3jyn s SER 96 CO -0.03 -1.04 1.46 -0.33 0.41 0.00 0.00 173.24 173.71 3jyn h GLU 97 N 2.27 0.00 -3.80 12.44 5.08 -1.46 -3.42 114.58 125.69 3jyn h GLU 97 Ca -0.29 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 57.67 3jyn h GLU 97 Cb 1.25 0.00 -0.36 0.00 0.50 0.00 0.00 28.75 30.14 3jyn h GLU 97 CO 0.39 0.73 -0.76 0.08 -1.00 0.00 0.00 179.01 178.45 3jyn s VAL 98 N -3.14 0.37 -0.06 3.13 1.01 -1.26 -1.84 120.40 118.61 3jyn s VAL 98 Ca 0.01 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.07 3jyn s VAL 98 Cb 0.11 -0.48 -0.00 0.00 0.00 0.00 0.00 36.38 36.01 3jyn s VAL 98 CO 0.78 0.22 -0.18 -2.28 0.00 0.00 0.00 175.10 173.63 3jyn s HIS 99 N 1.43 1.90 -0.17 5.22 2.46 -0.44 -4.97 115.29 120.72 3jyn s HIS 99 Ca -0.03 -0.63 -0.02 0.00 0.47 0.00 0.00 55.06 54.85 3jyn s HIS 99 Cb -0.13 -1.29 -0.01 0.00 -0.13 0.00 0.00 32.58 31.01 3jyn s HIS 99 CO -0.03 -0.24 -0.08 0.08 -2.47 0.00 0.00 174.74 172.00 3jyn s VAL 100 N 0.19 3.27 0.18 0.89 1.01 -1.26 -0.47 120.40 124.21 3jyn s VAL 100 Ca -0.09 -0.56 -0.15 0.00 0.00 0.00 0.00 61.98 61.19 3jyn s VAL 100 Cb -0.14 -2.43 0.02 0.00 0.00 0.00 0.00 36.38 33.83 3jyn s VAL 100 CO 0.04 0.48 0.44 -1.48 0.00 0.00 0.00 175.10 174.57 3jyn s LEU 101 N 0.86 0.39 0.44 3.92 2.34 -0.82 -4.94 118.68 120.87 3jyn s LEU 101 Ca -0.02 -0.57 -0.26 0.00 0.06 0.00 0.00 54.13 53.34 3jyn s LEU 101 Cb -0.15 1.82 -0.09 0.00 -0.56 0.00 0.00 46.19 47.22 3jyn s LEU 101 CO 0.01 -0.98 1.43 -2.65 -1.06 0.00 0.00 176.35 173.10 3jyn n PRO 102 N -0.29 2.28 0.33 1.48 -0.02 -1.26 -0.26 135.00 137.27 3jyn n PRO 102 Ca -0.10 0.81 0.22 0.00 -2.02 0.00 0.00 63.50 62.41 3jyn n PRO 102 Cb 0.63 -2.62 1.16 0.00 -0.02 0.00 0.00 33.50 32.65 3jyn n PRO 102 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3jyn h GLU 103 N 2.36 0.00 0.00 -0.52 4.11 -1.60 -1.83 114.58 117.10 3jyn h GLU 103 Ca -0.51 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 58.92 3jyn h GLU 103 Cb 1.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.52 3jyn h GLU 103 CO 0.61 0.00 -0.01 0.00 0.07 0.00 0.00 179.01 179.69 3jyn h ALA 104 N 2.00 1.01 -0.03 1.06 0.00 -1.89 -2.49 119.26 118.93 3jyn h ALA 104 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3jyn h ALA 104 Cb 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3jyn h ALA 104 CO 0.00 0.01 0.00 0.09 0.00 0.00 0.00 179.25 179.35 3jyn n ASN 105 N -3.11 2.30 -4.87 0.00 4.13 -0.69 -3.54 115.26 109.48 3jyn n ASN 105 Ca -0.01 -1.77 -0.29 0.00 1.68 0.00 0.00 54.58 54.20 3jyn n ASN 105 Cb 0.21 -0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.40 3jyn n ASN 105 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3jyn s LEU 106 N -1.99 4.11 -0.04 3.41 1.02 -0.94 -4.30 118.68 119.95 3jyn s LEU 106 Ca 0.33 0.10 -0.01 0.00 0.02 0.00 0.00 54.13 54.57 3jyn s LEU 106 Cb 0.20 -2.73 0.03 0.00 0.02 0.00 0.00 46.19 43.72 3jyn s LEU 106 CO 0.32 0.12 0.07 0.68 0.02 0.00 0.00 176.35 177.56 3jyn s VAL 107 N -1.58 -0.09 0.26 -1.59 -7.23 -0.76 -4.98 120.40 104.42 3jyn s VAL 107 Ca 0.33 0.29 -0.30 0.00 -1.81 0.00 0.00 61.98 60.49 3jyn s VAL 107 Cb -0.12 -0.15 -0.10 0.00 0.56 0.00 0.00 36.38 36.58 3jyn s VAL 107 CO 0.26 0.12 1.39 -0.54 -0.31 0.00 0.00 175.10 176.02 3jyn s LYS 108 N 1.55 4.30 0.04 4.82 1.02 -1.26 -2.15 119.74 128.06 3jyn s LYS 108 Ca -0.04 2.25 -0.19 0.00 0.02 0.00 0.00 55.97 58.01 3jyn s LYS 108 Cb -0.12 -3.11 -0.06 0.00 -0.52 0.00 0.00 37.83 34.01 3jyn s LYS 108 CO -0.04 -0.35 0.56 -0.51 -0.92 0.00 0.00 175.35 174.09 3jyn s LEU 109 N -0.68 4.49 0.33 3.17 1.43 0.10 -4.91 118.68 122.61 3jyn s LEU 109 Ca 0.56 1.19 -0.28 0.00 -1.03 0.00 0.00 54.13 54.58 3jyn s LEU 109 Cb -0.41 -2.86 -0.09 0.00 0.03 0.00 0.00 46.19 42.86 3jyn s LEU 109 CO 0.45 0.23 1.15 0.00 0.23 0.00 0.00 176.35 178.41 3jyn s ALA 110 N -0.82 3.33 0.54 4.21 0.00 -1.26 -4.81 121.76 122.95 3jyn s ALA 110 Ca 0.29 0.97 0.36 0.00 0.00 0.00 0.00 51.96 53.58 3jyn s ALA 110 Cb -0.19 -3.37 1.53 0.00 0.00 0.00 0.00 23.12 21.10 3jyn s ALA 110 CO 0.18 -0.35 1.81 -0.44 0.00 0.00 0.00 175.76 176.96 3jyn h ASP 111 N 3.32 0.02 0.62 0.00 3.45 -1.97 0.28 116.42 122.13 3jyn h ASP 111 Ca -0.48 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.99 3jyn h ASP 111 Cb 1.22 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.99 3jyn h ASP 111 CO 0.65 0.00 0.00 -1.54 -1.57 0.00 0.00 179.24 176.78 3jyn n SER 112 N -4.20 0.21 -4.48 6.45 3.41 -1.26 -4.68 113.62 109.07 3jyn n SER 112 Ca 0.25 0.55 -0.35 0.00 -0.26 0.00 0.00 58.87 59.05 3jyn n SER 112 Cb 1.21 -0.59 -0.12 0.00 -0.26 0.00 0.00 64.21 64.44 3jyn n SER 112 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3jyn s VAL 113 N -3.09 4.23 0.70 -3.33 0.11 0.98 -5.10 120.40 114.90 3jyn s VAL 113 Ca 0.07 -0.21 -0.11 0.00 -2.93 0.00 0.00 61.98 58.79 3jyn s VAL 113 Cb 0.10 -2.94 0.01 0.00 -1.53 0.00 0.00 36.38 32.02 3jyn s VAL 113 CO 0.32 0.39 1.08 -0.94 -3.33 0.00 0.00 175.10 172.62 3jyn s SER 114 N 1.17 5.49 0.42 3.54 1.04 -1.26 -4.78 113.70 119.32 3jyn s SER 114 Ca 0.04 1.29 0.14 0.00 0.48 0.00 0.00 55.95 57.90 3jyn s SER 114 Cb -0.14 -2.15 0.92 0.00 0.10 0.00 0.00 66.02 64.74 3jyn s SER 114 CO 0.02 -1.33 1.94 -0.26 0.98 0.00 0.00 173.24 174.59 3jyn h PHE 115 N -0.65 0.00 -0.30 5.02 0.04 -1.97 -2.30 116.94 116.79 3jyn h PHE 115 Ca -0.45 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.16 3jyn h PHE 115 Cb 1.23 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.38 3jyn h PHE 115 CO 0.55 0.24 -0.47 0.93 -0.60 0.00 0.00 178.31 178.96 3jyn h GLU 116 N 0.00 0.80 -0.32 1.51 3.07 -1.93 -0.98 114.58 116.74 3jyn h GLU 116 Ca -0.00 -0.46 -0.04 0.00 -0.50 0.00 0.00 59.36 58.35 3jyn h GLU 116 Cb 0.43 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.37 3jyn h GLU 116 CO 0.03 1.10 0.04 1.96 -1.40 0.00 0.00 179.01 180.74 3jyn h GLN 117 N 0.63 0.53 -0.36 2.33 4.20 -1.88 -1.93 115.11 118.64 3jyn h GLN 117 Ca 0.03 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.59 3jyn h GLN 117 Cb 1.05 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.76 3jyn h GLN 117 CO 0.10 0.64 0.20 0.00 -0.67 0.00 0.00 178.83 179.09 3jyn h ALA 118 N 0.88 0.46 0.00 3.87 0.00 -1.34 0.91 119.26 124.03 3jyn h ALA 118 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3jyn h ALA 118 Cb 0.37 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3jyn h ALA 118 CO 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.24 3jyn h ALA 119 N 1.06 1.00 0.00 0.00 0.00 -1.10 0.14 119.26 120.36 3jyn h ALA 119 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3jyn h ALA 119 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3jyn h ALA 119 CO -0.02 0.00 -1.53 0.00 0.00 0.00 0.00 179.25 177.70 3jyn n ALA 120 N -2.08 2.84 -0.10 0.00 0.00 -0.73 -4.03 120.51 116.41 3jyn n ALA 120 Ca -0.00 -0.41 -0.20 0.00 0.00 0.00 0.00 53.44 52.82 3jyn n ALA 120 Cb 0.23 -0.89 -0.07 0.00 0.00 0.00 0.00 19.45 18.72 3jyn n ALA 120 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3jyn n LEU 121 N -2.34 1.50 0.00 0.00 7.94 0.26 -4.75 117.00 119.61 3jyn n LEU 121 Ca -0.02 0.21 0.00 0.00 -1.11 0.00 0.00 56.01 55.09 3jyn n LEU 121 Cb 0.54 -0.58 0.00 0.00 0.53 0.00 0.00 43.42 43.91 3jyn n LEU 121 CO 0.43 0.44 0.01 0.23 -1.11 0.00 0.00 177.39 177.39 3jyn n MET 122 N -3.80 0.00 -0.01 1.96 2.81 0.44 0.21 117.12 118.73 3jyn n MET 122 Ca -0.38 0.02 -0.09 0.00 -1.81 0.00 0.00 57.70 55.44 3jyn n MET 122 Cb 0.78 -0.17 -0.03 0.00 -0.71 0.00 0.00 33.22 33.08 3jyn n MET 122 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 3jyn h LEU 123 N 0.00 -0.40 -0.82 4.03 6.46 -1.83 0.15 115.31 122.90 3jyn h LEU 123 Ca 0.00 0.08 -0.07 0.00 -0.12 0.00 0.00 57.88 57.77 3jyn h LEU 123 Cb 0.00 0.20 -0.03 0.00 -0.73 0.00 0.00 40.66 40.10 3jyn h LEU 123 CO 0.00 -0.17 0.13 0.11 -0.62 0.00 0.00 178.44 177.89 3jyn h LYS 124 N -0.15 1.01 -0.50 1.25 6.56 -1.80 -2.14 116.57 120.81 3jyn h LYS 124 Ca 0.09 -0.24 -0.13 0.00 -1.06 0.00 0.00 60.65 59.31 3jyn h LYS 124 Cb 0.28 -0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 31.79 3jyn h LYS 124 CO -0.22 0.91 -0.18 0.78 -2.06 0.00 0.00 179.45 178.68 3jyn h GLY 125 N 1.04 1.08 1.73 3.86 0.00 0.30 -1.95 103.07 109.13 3jyn h GLY 125 Ca 0.20 -0.94 -0.07 0.00 0.00 0.00 0.00 47.33 46.52 3jyn h GLY 125 CO 0.01 0.85 -0.19 1.41 0.00 0.00 0.00 176.54 178.62 3jyn h LEU 126 N 0.86 0.31 -0.18 3.11 3.38 -0.58 -1.08 115.31 121.13 3jyn h LEU 126 Ca 0.12 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 3jyn h LEU 126 Cb 0.76 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 3jyn h LEU 126 CO 0.06 0.52 -0.13 0.74 0.09 0.00 0.00 178.44 179.73 3jyn h THR 127 N 0.30 1.32 -0.64 0.22 2.02 -1.16 -2.09 112.91 112.88 3jyn h THR 127 Ca 0.05 -1.23 -0.03 0.00 0.77 0.00 0.00 66.41 65.97 3jyn h THR 127 Cb 0.51 1.74 -0.03 0.00 -1.74 0.00 0.00 68.15 68.63 3jyn h THR 127 CO 0.03 0.37 0.26 0.58 0.37 0.00 0.00 175.52 177.13 3jyn h VAL 128 N 0.07 1.22 0.13 3.16 2.07 -1.17 0.36 116.25 122.09 3jyn h VAL 128 Ca 0.04 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.86 3jyn h VAL 128 Cb 0.63 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3jyn h VAL 128 CO 0.03 0.28 -0.11 -0.61 0.02 0.00 0.00 177.57 177.18 3jyn h GLN 129 N 0.92 -0.25 -0.05 1.57 -0.00 -1.03 -0.31 115.11 115.97 3jyn h GLN 129 Ca 0.22 0.02 -0.14 0.00 -0.00 0.00 0.00 58.65 58.74 3jyn h GLN 129 Cb 0.17 0.06 -0.01 0.00 0.00 0.00 0.00 27.48 27.69 3jyn h GLN 129 CO -0.02 -0.16 -0.61 0.10 0.00 0.00 0.00 178.83 178.14 3jyn h TYR 130 N -0.26 0.21 -0.30 3.99 -0.00 -1.13 0.26 116.97 119.74 3jyn h TYR 130 Ca -0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 58.73 58.62 3jyn h TYR 130 Cb 0.24 -0.04 -0.01 0.00 0.00 0.00 0.00 36.73 36.92 3jyn h TYR 130 CO -0.11 0.73 0.07 -0.07 -0.00 0.00 0.00 178.16 178.77 3jyn h LEU 131 N 0.12 0.46 0.00 0.10 3.38 -0.72 0.40 115.31 119.05 3jyn h LEU 131 Ca -0.01 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3jyn h LEU 131 Cb 1.10 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3jyn h LEU 131 CO 0.09 0.58 -0.80 0.18 0.09 0.00 0.00 178.44 178.58 3jyn n LEU 132 N -4.66 0.68 -0.03 1.67 4.77 -0.15 -3.26 117.00 116.03 3jyn n LEU 132 Ca -0.02 0.15 -0.02 0.00 -0.03 0.00 0.00 56.01 56.09 3jyn n LEU 132 Cb 0.19 -0.14 -0.06 0.00 -2.33 0.00 0.00 43.42 41.09 3jyn n LEU 132 CO 0.37 -0.03 -0.69 0.54 -1.33 0.00 0.00 177.39 176.25 3jyn n ARG 133 N -2.11 2.20 -0.03 3.23 5.12 0.07 -2.10 116.66 123.04 3jyn n ARG 133 Ca 0.02 -0.02 -0.06 0.00 -1.93 0.00 0.00 57.85 55.86 3jyn n ARG 133 Cb 0.45 -1.18 -0.02 0.00 -1.16 0.00 0.00 32.46 30.55 3jyn n ARG 133 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3jyn n GLN 134 N -2.13 0.14 -0.27 5.56 6.02 -0.31 -4.31 117.38 122.08 3jyn n GLN 134 Ca -0.09 0.06 -0.03 0.00 -0.01 0.00 0.00 57.00 56.92 3jyn n GLN 134 Cb 0.59 -0.79 0.08 0.00 1.02 0.00 0.00 30.24 31.14 3jyn n GLN 134 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 3jyn h THR 135 N -0.20 1.14 -1.50 5.09 2.02 -0.42 -3.40 112.91 115.65 3jyn h THR 135 Ca -0.16 -0.33 -0.08 0.00 0.77 0.00 0.00 66.41 66.61 3jyn h THR 135 Cb 1.15 0.10 -0.26 0.00 -1.74 0.00 0.00 68.15 67.40 3jyn h THR 135 CO -0.09 0.17 -0.44 -0.47 0.37 0.00 0.00 175.52 175.07 3jyn s TYR 136 N -6.12 -1.22 -0.94 3.16 6.14 -1.20 -5.08 117.35 112.08 3jyn s TYR 136 Ca -0.13 0.89 -0.25 0.00 0.64 0.00 0.00 57.07 58.22 3jyn s TYR 136 Cb 0.15 0.12 -0.13 0.00 0.42 0.00 0.00 41.96 42.53 3jyn s TYR 136 CO 0.78 -0.90 2.15 -0.65 0.64 0.00 0.00 175.55 177.57 3jyn s GLN 137 N 2.66 1.89 0.26 4.97 -0.21 -1.26 -4.27 119.66 123.70 3jyn s GLN 137 Ca 0.13 -0.17 -0.31 0.00 0.02 0.00 0.00 55.36 55.04 3jyn s GLN 137 Cb -0.13 -4.97 -0.12 0.00 1.00 0.00 0.00 33.01 28.79 3jyn s GLN 137 CO -0.23 -4.34 1.65 0.14 -2.12 0.00 0.00 175.29 170.39 3jyn s VAL 138 N 13.50 2.02 0.24 1.09 -7.23 -0.89 -5.00 120.40 124.13 3jyn s VAL 138 Ca 0.81 0.02 0.08 0.00 -1.81 0.00 0.00 61.98 61.08 3jyn s VAL 138 Cb -0.08 -3.01 -0.04 0.00 0.56 0.00 0.00 36.38 33.81 3jyn s VAL 138 CO 0.09 0.00 0.07 -0.54 -0.31 0.00 0.00 175.10 174.41 3jyn s LYS 139 N 0.19 2.55 0.41 4.82 -0.14 -1.26 -4.99 119.74 121.32 3jyn s LYS 139 Ca 0.68 -1.22 -0.25 0.00 -1.36 0.00 0.00 55.97 53.83 3jyn s LYS 139 Cb -0.49 -2.35 -0.10 0.00 -1.68 0.00 0.00 37.83 33.21 3jyn s LYS 139 CO 0.42 0.40 1.10 -2.30 -0.76 0.00 0.00 175.35 174.20 3jyn n PRO 140 N -0.82 1.54 0.00 -1.68 -0.02 -1.23 -2.15 135.00 130.64 3jyn n PRO 140 Ca -0.08 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3jyn n PRO 140 Cb 0.58 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.91 3jyn n PRO 140 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3jyn n GLY 141 N 1.06 3.01 3.77 -1.23 0.00 0.16 -4.87 105.19 107.10 3jyn n GLY 141 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.71 3jyn n GLY 141 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3jyn s GLU 142 N -0.18 4.14 -0.35 1.61 2.02 -0.92 -4.57 118.70 120.44 3jyn s GLU 142 Ca 0.00 2.17 -0.14 0.00 0.02 0.00 0.00 54.97 57.03 3jyn s GLU 142 Cb 0.00 -2.89 -0.01 0.00 0.10 0.00 0.00 34.13 31.33 3jyn s GLU 142 CO 0.00 -0.36 0.28 0.42 0.02 0.00 0.00 175.26 175.62 3jyn s ILE 143 N -1.22 5.26 0.16 -1.63 1.01 -1.26 0.10 121.20 123.62 3jyn s ILE 143 Ca 0.53 -0.25 0.11 0.00 0.00 0.00 0.00 60.65 61.04 3jyn s ILE 143 Cb -0.39 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.26 3jyn s ILE 143 CO 0.50 -0.09 -0.24 0.27 0.00 0.00 0.00 174.94 175.38 3jyn s ILE 144 N 1.78 2.38 -0.15 2.92 -4.36 -0.63 -3.99 121.20 119.14 3jyn s ILE 144 Ca 0.07 -1.85 -0.06 0.00 -0.26 0.00 0.00 60.65 58.56 3jyn s ILE 144 Cb -0.18 -2.10 -0.04 0.00 1.25 0.00 0.00 42.46 41.40 3jyn s ILE 144 CO 0.11 0.00 0.05 -0.22 0.24 0.00 0.00 174.94 175.12 3jyn s LEU 145 N -2.34 3.80 -0.17 0.37 2.96 -1.10 -0.03 118.68 122.16 3jyn s LEU 145 Ca 0.17 0.13 -0.05 0.00 -0.22 0.00 0.00 54.13 54.17 3jyn s LEU 145 Cb -0.09 -1.93 0.06 0.00 0.50 0.00 0.00 46.19 44.72 3jyn s LEU 145 CO 0.08 0.25 0.08 0.12 -1.32 0.00 0.00 176.35 175.56 3jyn s PHE 146 N -0.08 0.31 0.75 5.38 2.19 -0.83 -0.28 117.98 125.42 3jyn s PHE 146 Ca 0.06 -0.38 -0.11 0.00 0.33 0.00 0.00 56.93 56.83 3jyn s PHE 146 Cb -0.12 -0.74 0.04 0.00 -1.31 0.00 0.00 43.02 40.90 3jyn s PHE 146 CO 0.01 -0.52 1.08 -1.01 1.83 0.00 0.00 175.22 176.61 3jyn s HIS 147 N 2.10 2.71 -1.03 10.12 3.76 -1.01 -2.29 115.29 129.65 3jyn s HIS 147 Ca 0.02 1.52 -0.17 0.00 -0.15 0.00 0.00 55.06 56.28 3jyn s HIS 147 Cb -0.16 -3.01 0.01 0.00 1.11 0.00 0.00 32.58 30.53 3jyn s HIS 147 CO -0.09 -1.65 0.70 0.00 -0.85 0.00 0.00 174.74 172.85 3jyn n ALA 148 N -3.41 -2.64 0.42 -1.40 0.00 -0.50 -4.75 120.51 108.23 3jyn n ALA 148 Ca 0.09 -0.32 0.13 0.00 0.00 0.00 0.00 53.44 53.34 3jyn n ALA 148 Cb 0.53 -2.53 0.47 0.00 0.00 0.00 0.00 19.45 17.93 3jyn n ALA 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3jyn h ALA 149 N 1.14 1.00 -0.10 0.00 0.00 -1.34 -3.04 119.26 116.92 3jyn h ALA 149 Ca -0.60 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.31 3jyn h ALA 149 Cb 1.35 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.14 3jyn h ALA 149 CO 0.44 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.69 3jyn n ALA 150 N -1.86 2.45 -1.00 0.00 0.00 -1.26 -2.43 120.51 116.40 3jyn n ALA 150 Ca 0.03 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.73 3jyn n ALA 150 Cb 0.32 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 19.05 3jyn n ALA 150 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jyn n GLY 151 N 1.22 -1.81 0.15 0.00 0.00 -1.15 -1.47 105.19 102.13 3jyn n GLY 151 Ca 0.13 -1.53 -0.13 0.00 0.00 0.00 0.00 46.02 44.49 3jyn n GLY 151 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3jyn h GLY 152 N -0.23 -0.30 0.49 -0.02 0.00 -1.88 -0.09 103.07 101.05 3jyn h GLY 152 Ca 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.42 3jyn h GLY 152 CO 0.00 -0.11 -0.06 -2.08 0.00 0.00 0.00 176.54 174.30 3jyn h VAL 153 N -0.56 1.45 -0.66 4.60 2.07 -1.89 -3.25 116.25 118.01 3jyn h VAL 153 Ca -0.03 -1.41 0.12 0.00 0.82 0.00 0.00 66.70 66.21 3jyn h VAL 153 Cb 0.41 2.33 -0.09 0.00 -1.52 0.00 0.00 31.29 32.43 3jyn h VAL 153 CO 0.05 0.38 0.19 1.23 0.02 0.00 0.00 177.57 179.44 3jyn h GLY 154 N -0.47 0.91 1.17 2.17 0.00 -1.66 0.04 103.07 105.23 3jyn h GLY 154 Ca 0.00 -0.07 0.01 0.00 0.00 0.00 0.00 47.33 47.27 3jyn h GLY 154 CO 0.01 -0.11 0.56 1.76 0.00 0.00 0.00 176.54 178.76 3jyn h SER 155 N 0.33 0.96 0.09 0.19 0.02 -0.66 -0.03 113.55 114.44 3jyn h SER 155 Ca 0.35 -0.02 -0.18 0.00 -0.84 0.00 0.00 61.79 61.10 3jyn h SER 155 Cb 0.53 -0.24 -0.00 0.00 0.14 0.00 0.00 62.40 62.83 3jyn h SER 155 CO -0.41 0.70 -0.66 -0.07 -1.14 0.00 0.00 176.83 175.24 3jyn h LEU 156 N 1.14 0.62 -0.98 5.07 4.07 -1.32 -3.08 115.31 120.83 3jyn h LEU 156 Ca 0.31 -0.38 -0.07 0.00 0.08 0.00 0.00 57.88 57.83 3jyn h LEU 156 Cb -0.12 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.41 3jyn h LEU 156 CO -0.07 1.12 0.03 0.00 -1.08 0.00 0.00 178.44 178.44 3jyn h ALA 157 N 0.88 1.16 -0.32 1.53 0.00 -0.15 0.49 119.26 122.84 3jyn h ALA 157 Ca -0.02 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 3jyn h ALA 157 Cb 1.24 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 3jyn h ALA 157 CO 0.12 0.55 0.20 0.00 0.00 0.00 0.00 179.25 180.12 3jyn h GLN 159 N 0.42 0.59 -0.46 0.00 4.20 -1.34 -2.47 115.11 116.05 3jyn h GLN 159 Ca 0.12 -0.18 -0.11 0.00 0.06 0.00 0.00 58.65 58.54 3jyn h GLN 159 Cb -0.00 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 3jyn h GLN 159 CO -0.02 0.71 -0.12 2.35 -0.67 0.00 0.00 178.83 181.07 3jyn h TRP 160 N 0.40 1.01 -0.62 2.96 2.91 -0.77 -2.03 115.95 119.82 3jyn h TRP 160 Ca 0.10 -0.22 0.03 0.00 1.13 0.00 0.00 58.89 59.92 3jyn h TRP 160 Cb 0.43 -0.25 -0.04 0.00 -0.51 0.00 0.00 29.16 28.80 3jyn h TRP 160 CO 0.03 1.00 0.38 0.00 -1.03 0.00 0.00 178.44 178.82 3jyn h ALA 161 N 0.87 0.80 -0.61 2.65 0.00 -0.89 -1.34 119.26 120.75 3jyn h ALA 161 Ca 0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 3jyn h ALA 161 Cb 0.68 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3jyn h ALA 161 CO 0.05 0.13 0.31 -0.22 0.00 0.00 0.00 179.25 179.52 3jyn h LYS 162 N 0.75 0.86 -0.24 0.00 3.64 -1.31 -1.49 116.57 118.79 3jyn h LYS 162 Ca 0.25 -0.11 0.01 0.00 -1.27 0.00 0.00 60.65 59.52 3jyn h LYS 162 Cb 0.01 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 3jyn h LYS 162 CO -0.10 0.67 0.16 0.00 -2.27 0.00 0.00 179.45 177.91 3jyn h ALA 163 N 1.14 1.88 0.00 5.00 0.00 -0.61 -1.47 119.26 125.20 3jyn h ALA 163 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3jyn h ALA 163 Cb 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3jyn h ALA 163 CO -0.03 0.10 -0.19 1.28 0.00 0.00 0.00 179.25 180.41 3jyn n LEU 164 N -4.50 0.24 0.00 0.00 4.32 -0.58 -4.92 117.00 111.57 3jyn n LEU 164 Ca 0.01 0.33 0.00 0.00 -0.02 0.00 0.00 56.01 56.33 3jyn n LEU 164 Cb 0.10 -0.39 0.00 0.00 -1.62 0.00 0.00 43.42 41.51 3jyn n LEU 164 CO 0.35 0.03 0.00 0.61 -1.22 0.00 0.00 177.39 177.16 3jyn n GLY 165 N 1.48 0.61 3.90 -0.72 0.00 -0.55 -3.57 105.19 106.34 3jyn n GLY 165 Ca 0.06 -0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 3jyn n GLY 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jyn s ALA 166 N -2.00 3.35 -0.47 4.61 0.00 -0.62 0.40 121.76 127.04 3jyn s ALA 166 Ca 0.00 -0.44 -0.06 0.00 0.00 0.00 0.00 51.96 51.46 3jyn s ALA 166 Cb 0.00 -2.66 0.12 0.00 0.00 0.00 0.00 23.12 20.58 3jyn s ALA 166 CO 0.00 -0.41 0.31 0.15 0.00 0.00 0.00 175.76 175.81 3jyn s LYS 167 N -4.81 2.30 -0.13 0.00 1.02 0.11 -4.33 119.74 113.91 3jyn s LYS 167 Ca 0.49 -1.92 -0.24 0.00 0.02 0.00 0.00 55.97 54.32 3jyn s LYS 167 Cb -0.10 -3.76 -0.02 0.00 -0.52 0.00 0.00 37.83 33.42 3jyn s LYS 167 CO 0.46 -1.14 0.76 -1.17 -0.92 0.00 0.00 175.35 173.34 3jyn s LEU 168 N 1.02 4.23 -0.51 3.17 0.20 -1.26 -1.61 118.68 123.93 3jyn s LEU 168 Ca 0.09 1.14 -0.14 0.00 0.69 0.00 0.00 54.13 55.91 3jyn s LEU 168 Cb -0.23 -3.14 0.11 0.00 -0.43 0.00 0.00 46.19 42.51 3jyn s LEU 168 CO -0.03 -0.27 0.44 -0.63 -0.29 0.00 0.00 176.35 175.57 3jyn s ILE 169 N 1.57 4.98 -0.15 6.68 1.01 0.95 -1.07 121.20 135.17 3jyn s ILE 169 Ca 0.37 -1.46 -0.13 0.00 0.00 0.00 0.00 60.65 59.42 3jyn s ILE 169 Cb -0.17 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.10 3jyn s ILE 169 CO 0.15 -0.78 0.28 -0.83 0.00 0.00 0.00 174.94 173.76 3jyn s GLY 170 N 3.16 2.21 -0.04 6.18 0.00 -0.09 -1.97 107.32 116.78 3jyn s GLY 170 Ca 0.04 -0.46 -0.13 0.00 0.00 0.00 0.00 44.72 44.16 3jyn s GLY 170 CO 0.03 0.35 0.36 -0.51 0.00 0.00 0.00 173.10 173.32 3jyn s THR 171 N 0.27 5.14 0.16 0.90 -4.23 -0.97 -1.00 115.64 115.91 3jyn s THR 171 Ca 0.16 0.71 -0.02 0.00 -1.18 0.00 0.00 61.69 61.36 3jyn s THR 171 Cb -0.13 -3.66 -0.04 0.00 1.34 0.00 0.00 72.50 70.02 3jyn s THR 171 CO 0.04 0.56 0.11 0.68 -0.54 0.00 0.00 174.62 175.48 3jyn s VAL 172 N -0.88 0.07 -2.56 2.29 -7.23 0.17 -1.31 120.40 110.94 3jyn s VAL 172 Ca 0.22 -1.86 0.23 0.00 -1.81 0.00 0.00 61.98 58.76 3jyn s VAL 172 Cb -0.16 -2.14 0.39 0.00 0.56 0.00 0.00 36.38 35.04 3jyn s VAL 172 CO 0.11 -0.31 1.45 -1.54 -0.31 0.00 0.00 175.10 174.50 3jyn n SER 173 N -0.16 2.63 -3.53 4.85 3.41 -1.26 -0.81 113.62 118.75 3jyn n SER 173 Ca -0.04 -1.86 -0.13 0.00 -0.26 0.00 0.00 58.87 56.59 3jyn n SER 173 Cb 0.64 -0.12 -0.05 0.00 -0.26 0.00 0.00 64.21 64.43 3jyn n SER 173 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3jyn s SER 174 N -1.70 -0.48 0.58 4.04 1.04 -1.26 -4.59 113.70 111.32 3jyn s SER 174 Ca 0.34 0.41 0.27 0.00 0.48 0.00 0.00 55.95 57.46 3jyn s SER 174 Cb 0.21 0.42 1.61 0.00 0.10 0.00 0.00 66.02 68.36 3jyn s SER 174 CO 0.30 -0.53 2.10 1.55 0.98 0.00 0.00 173.24 177.64 3jyn h PRO 175 N 2.57 0.00 -0.01 4.02 0.13 -1.98 0.34 132.00 137.06 3jyn h PRO 175 Ca -0.23 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.90 3jyn h PRO 175 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 3jyn h PRO 175 CO 0.34 0.00 -0.01 0.93 -0.23 0.00 0.00 178.00 179.04 3jyn h GLU 176 N 0.00 0.02 -0.11 0.86 3.07 -2.00 -1.67 114.58 114.76 3jyn h GLU 176 Ca 0.09 -0.01 -0.06 0.00 -0.50 0.00 0.00 59.36 58.88 3jyn h GLU 176 Cb 0.48 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.38 3jyn h GLU 176 CO -0.00 0.43 -0.20 0.87 -1.40 0.00 0.00 179.01 178.71 3jyn h LYS 177 N -0.39 0.18 -0.36 2.33 1.57 -1.54 -2.23 116.57 116.12 3jyn h LYS 177 Ca 0.00 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 3jyn h LYS 177 Cb 0.43 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 3jyn h LYS 177 CO 0.00 0.38 0.19 0.00 -0.57 0.00 0.00 179.45 179.45 3jyn h ALA 178 N 1.64 0.46 -0.83 3.86 0.00 -0.83 -0.17 119.26 123.39 3jyn h ALA 178 Ca 0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3jyn h ALA 178 Cb 0.45 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3jyn h ALA 178 CO 0.03 0.00 0.41 0.00 0.00 0.00 0.00 179.25 179.69 3jyn h ALA 179 N 1.05 1.16 0.27 0.00 0.00 -0.92 -0.08 119.26 120.74 3jyn h ALA 179 Ca 0.13 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3jyn h ALA 179 Cb 0.08 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3jyn h ALA 179 CO -0.02 0.65 -0.15 1.25 0.00 0.00 0.00 179.25 180.98 3jyn h HIS 180 N 1.18 -0.38 -0.01 0.00 6.17 -0.88 -1.15 115.15 120.08 3jyn h HIS 180 Ca 0.29 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.36 3jyn h HIS 180 Cb 0.09 0.13 -0.00 0.00 2.52 0.00 0.00 27.41 30.15 3jyn h HIS 180 CO 0.01 -0.23 -0.00 0.00 0.71 0.00 0.00 177.93 178.42 3jyn h ALA 181 N 0.34 0.01 -0.42 5.26 0.00 -0.74 -2.52 119.26 121.19 3jyn h ALA 181 Ca -0.03 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.96 3jyn h ALA 181 Cb 0.31 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 3jyn h ALA 181 CO 0.04 -0.50 -0.01 -0.22 0.00 0.00 0.00 179.25 178.56 3jyn h LYS 182 N 0.00 0.09 -0.39 0.00 1.63 -0.93 -0.89 116.57 116.07 3jyn h LYS 182 Ca 0.01 -0.01 0.05 0.00 -0.85 0.00 0.00 60.65 59.85 3jyn h LYS 182 Cb 0.01 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 31.59 3jyn h LYS 182 CO -0.01 0.06 0.26 0.00 -3.45 0.00 0.00 179.45 176.31 3jyn h ALA 183 N 1.37 1.93 -0.00 5.00 0.00 -1.00 -1.41 119.26 125.15 3jyn h ALA 183 Ca 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3jyn h ALA 183 Cb 0.30 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3jyn h ALA 183 CO -0.36 0.00 -0.04 1.28 0.00 0.00 0.00 179.25 180.14 3jyn n LEU 184 N -4.48 0.09 0.00 0.00 4.77 -0.40 -4.89 117.00 112.09 3jyn n LEU 184 Ca 0.04 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 3jyn n LEU 184 Cb 0.21 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 3jyn n LEU 184 CO 0.35 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.04 3jyn n GLY 185 N 1.36 0.65 3.73 -0.72 0.00 -0.53 -2.89 105.19 106.79 3jyn n GLY 185 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 3jyn n GLY 185 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jyn s ALA 186 N -1.60 3.69 -0.02 4.61 0.00 -0.83 -4.51 121.76 123.11 3jyn s ALA 186 Ca 0.00 1.36 -0.25 0.00 0.00 0.00 0.00 51.96 53.07 3jyn s ALA 186 Cb 0.00 -3.59 -0.19 0.00 0.00 0.00 0.00 23.12 19.34 3jyn s ALA 186 CO 0.00 -0.78 1.25 2.35 0.00 0.00 0.00 175.76 178.58 3jyn h TRP 187 N 5.71 -0.07 -4.06 0.00 7.01 -1.44 -3.41 115.95 119.69 3jyn h TRP 187 Ca -0.45 -0.00 -0.17 0.00 2.11 0.00 0.00 58.89 60.38 3jyn h TRP 187 Cb 1.21 0.02 -0.17 0.00 -2.10 0.00 0.00 29.16 28.13 3jyn h TRP 187 CO 0.62 0.37 -0.69 -1.21 -2.79 0.00 0.00 178.44 174.73 3jyn s GLU 188 N -4.32 0.57 0.11 2.65 0.41 -1.06 -5.02 118.70 112.05 3jyn s GLU 188 Ca -0.15 -1.04 0.06 0.00 -0.41 0.00 0.00 54.97 53.43 3jyn s GLU 188 Cb 0.02 0.04 -0.04 0.00 -1.78 0.00 0.00 34.13 32.37 3jyn s GLU 188 CO 0.64 -0.06 -0.15 -0.08 -0.49 0.00 0.00 175.26 175.12 3jyn s THR 189 N -2.96 1.36 -0.05 3.63 -1.32 -1.26 -0.92 115.64 114.12 3jyn s THR 189 Ca 0.00 -1.61 -0.01 0.00 -1.21 0.00 0.00 61.69 58.86 3jyn s THR 189 Cb 0.01 -1.45 0.03 0.00 -1.51 0.00 0.00 72.50 69.58 3jyn s THR 189 CO -0.06 -0.32 0.01 -0.63 -2.21 0.00 0.00 174.62 171.41 3jyn s ILE 190 N -1.81 0.25 -0.85 5.08 1.01 -0.17 -4.91 121.20 119.80 3jyn s ILE 190 Ca 0.06 0.14 -0.21 0.00 0.00 0.00 0.00 60.65 60.64 3jyn s ILE 190 Cb -0.07 -0.40 0.10 0.00 0.01 0.00 0.00 42.46 42.10 3jyn s ILE 190 CO 0.03 0.21 1.13 -0.62 0.00 0.00 0.00 174.94 175.69 3jyn s ASP 191 N 1.60 6.45 0.00 3.58 -1.08 -1.26 -0.65 116.67 125.32 3jyn s ASP 191 Ca -0.01 -1.58 0.00 0.00 -0.52 0.00 0.00 52.55 50.44 3jyn s ASP 191 Cb -0.13 -2.44 0.00 0.00 -1.46 0.00 0.00 42.92 38.90 3jyn s ASP 191 CO -0.03 -1.27 0.55 0.00 0.52 0.00 0.00 175.17 174.93 3jyn n TYR 192 N 7.34 0.00 0.76 -5.34 0.18 0.01 -0.91 117.16 119.21 3jyn n TYR 192 Ca 0.16 0.00 0.13 0.00 1.88 0.00 0.00 57.90 60.07 3jyn n TYR 192 Cb 0.48 -0.07 0.47 0.00 -0.38 0.00 0.00 39.34 39.84 3jyn n TYR 192 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 3jyn n SER 193 N -0.07 0.53 0.00 9.48 3.41 -1.26 -4.55 113.62 121.17 3jyn n SER 193 Ca 0.00 0.54 0.00 0.00 -0.26 0.00 0.00 58.87 59.15 3jyn n SER 193 Cb 0.18 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.45 3jyn n SER 193 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jyn n HIS 194 N -2.00 0.00 -2.43 7.33 1.44 -1.06 -5.15 115.22 113.35 3jyn n HIS 194 Ca 0.06 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.45 3jyn n HIS 194 Cb 0.40 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.47 3jyn n HIS 194 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3jyn s GLU 195 N -0.05 3.94 -0.66 -1.40 2.02 -0.08 -5.01 118.70 117.46 3jyn s GLU 195 Ca 0.00 0.92 -0.23 0.00 0.02 0.00 0.00 54.97 55.68 3jyn s GLU 195 Cb 0.00 -2.15 0.07 0.00 0.10 0.00 0.00 34.13 32.14 3jyn s GLU 195 CO 0.00 -0.25 0.97 0.34 0.02 0.00 0.00 175.26 176.34 3jyn s ASP 196 N -3.07 6.18 0.10 -0.19 -1.08 -1.26 -4.61 116.67 112.74 3jyn s ASP 196 Ca 0.58 -0.93 -0.27 0.00 -0.52 0.00 0.00 52.55 51.41 3jyn s ASP 196 Cb -0.10 -2.42 -0.11 0.00 -1.46 0.00 0.00 42.92 38.82 3jyn s ASP 196 CO 0.31 -1.44 1.65 0.58 0.52 0.00 0.00 175.17 176.79 3jyn h VAL 197 N 5.98 0.49 -0.96 1.11 2.07 -1.94 -1.23 116.25 121.77 3jyn h VAL 197 Ca -0.29 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.35 3jyn h VAL 197 Cb 1.07 0.49 -0.08 0.00 -1.52 0.00 0.00 31.29 31.25 3jyn h VAL 197 CO 1.18 0.00 0.59 0.00 0.02 0.00 0.00 177.57 179.36 3jyn h ALA 198 N 0.22 1.44 0.19 1.67 0.00 -1.90 0.18 119.26 121.05 3jyn h ALA 198 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 3jyn h ALA 198 Cb 0.47 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3jyn h ALA 198 CO -0.07 0.17 -0.09 -0.22 0.00 0.00 0.00 179.25 179.04 3jyn h LYS 199 N 0.92 -0.24 -0.78 0.00 3.64 -1.86 -1.18 116.57 117.07 3jyn h LYS 199 Ca 0.48 0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.94 3jyn h LYS 199 Cb 0.49 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.31 3jyn h LYS 199 CO -0.27 0.00 0.46 0.00 -2.27 0.00 0.00 179.45 177.37 3jyn h ARG 200 N -0.46 0.82 -0.53 1.90 2.47 -0.56 -1.92 114.38 116.09 3jyn h ARG 200 Ca -0.03 -0.05 -0.01 0.00 -1.26 0.00 0.00 59.98 58.63 3jyn h ARG 200 Cb 0.35 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.47 3jyn h ARG 200 CO 0.04 0.54 0.28 0.28 0.56 0.00 0.00 179.97 181.67 3jyn h VAL 201 N 0.84 1.19 -0.67 2.04 2.07 -0.57 0.97 116.25 122.12 3jyn h VAL 201 Ca 0.35 -0.50 0.03 0.00 0.82 0.00 0.00 66.70 67.39 3jyn h VAL 201 Cb 0.20 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 3jyn h VAL 201 CO -0.18 0.21 0.42 0.25 0.02 0.00 0.00 177.57 178.28 3jyn h LEU 202 N 0.72 0.68 -0.30 2.57 5.85 -0.54 -0.79 115.31 123.50 3jyn h LEU 202 Ca 0.19 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.71 3jyn h LEU 202 Cb 0.08 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.97 3jyn h LEU 202 CO -0.03 0.47 -0.76 1.05 -0.34 0.00 0.00 178.44 178.84 3jyn h GLU 203 N 0.81 0.56 0.00 1.25 4.11 -1.03 0.42 114.58 120.70 3jyn h GLU 203 Ca 0.27 -0.46 -0.05 0.00 0.07 0.00 0.00 59.36 59.19 3jyn h GLU 203 Cb 0.02 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3jyn h GLU 203 CO -0.11 1.09 -0.25 -0.07 0.07 0.00 0.00 179.01 179.74 3jyn h LEU 204 N 0.38 0.00 -2.69 3.06 3.38 -0.50 -2.92 115.31 116.02 3jyn h LEU 204 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3jyn h LEU 204 Cb 1.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.11 3jyn h LEU 204 CO 0.14 0.25 0.00 0.35 0.09 0.00 0.00 178.44 179.27 3jyn n THR 205 N -3.64 0.90 -3.49 0.22 -2.24 -0.33 -4.96 114.28 100.75 3jyn n THR 205 Ca -0.01 -0.95 -0.23 0.00 -2.27 0.00 0.00 64.05 60.59 3jyn n THR 205 Cb 0.38 0.59 0.07 0.00 -2.10 0.00 0.00 70.33 69.27 3jyn n THR 205 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3jyn n ASP 206 N 1.33 -6.30 0.00 3.42 8.00 -0.99 -2.19 116.55 119.82 3jyn n ASP 206 Ca 0.20 -0.49 0.00 0.00 0.71 0.00 0.00 54.79 55.21 3jyn n ASP 206 Cb 0.56 -4.96 0.00 0.00 -0.02 0.00 0.00 41.12 36.71 3jyn n ASP 206 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3jyn n GLY 207 N -1.92 1.89 0.11 0.44 0.00 0.14 -4.86 105.19 100.99 3jyn n GLY 207 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.13 3jyn n GLY 207 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3jyn h LYS 208 N 2.28 0.00 0.00 1.61 1.57 -1.67 -3.50 116.57 116.85 3jyn h LYS 208 Ca 0.00 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.83 3jyn h LYS 208 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3jyn h LYS 208 CO 0.00 0.00 -0.06 1.63 -0.57 0.00 0.00 179.45 180.45 3jyn n LYS 209 N -2.45 -0.34 -3.89 3.15 5.02 -1.26 -4.48 118.16 113.91 3jyn n LYS 209 Ca 0.03 0.22 -0.35 0.00 -2.02 0.00 0.00 58.31 56.19 3jyn n LYS 209 Cb 0.48 -0.41 -0.09 0.00 -0.02 0.00 0.00 35.03 34.99 3jyn n LYS 209 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3jyn h PRO 211 N 6.74 0.00 -3.29 0.00 0.13 -1.89 0.20 132.00 133.89 3jyn h PRO 211 Ca -0.38 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.58 3jyn h PRO 211 Cb 1.16 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.05 3jyn h PRO 211 CO 0.72 0.00 -0.47 0.54 -0.23 0.00 0.00 178.00 178.57 3jyn s VAL 212 N -4.80 0.02 -0.08 1.56 0.11 -1.26 -1.41 120.40 114.54 3jyn s VAL 212 Ca -0.05 -0.20 0.01 0.00 -2.93 0.00 0.00 61.98 58.81 3jyn s VAL 212 Cb 0.16 -0.35 0.02 0.00 -1.53 0.00 0.00 36.38 34.67 3jyn s VAL 212 CO 0.59 -0.11 -0.11 -0.69 -3.33 0.00 0.00 175.10 171.45 3jyn s VAL 213 N -0.36 1.12 -0.25 2.04 1.01 -0.08 -2.72 120.40 121.16 3jyn s VAL 213 Ca -0.05 -0.43 -0.09 0.00 0.00 0.00 0.00 61.98 61.41 3jyn s VAL 213 Cb -0.03 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 3jyn s VAL 213 CO 0.01 0.36 0.13 -0.31 0.00 0.00 0.00 175.10 175.30 3jyn s TYR 214 N 1.01 3.20 -0.29 5.22 2.02 0.62 0.33 117.35 129.45 3jyn s TYR 214 Ca -0.08 -0.04 0.01 0.00 -0.37 0.00 0.00 57.07 56.59 3jyn s TYR 214 Cb -0.15 -2.29 0.08 0.00 -0.40 0.00 0.00 41.96 39.21 3jyn s TYR 214 CO -0.00 -0.15 0.03 0.34 -1.57 0.00 0.00 175.55 174.19 3jyn s ASP 215 N 1.46 4.12 0.00 2.29 -1.08 0.12 -2.42 116.67 121.16 3jyn s ASP 215 Ca 0.06 -1.58 0.21 0.00 -0.52 0.00 0.00 52.55 50.72 3jyn s ASP 215 Cb -0.15 -1.17 0.43 0.00 -1.46 0.00 0.00 42.92 40.57 3jyn s ASP 215 CO 0.07 -0.34 1.37 0.61 0.52 0.00 0.00 175.17 177.40 3jyn n GLY 216 N 4.63 1.86 0.06 2.66 0.00 -1.26 -1.84 105.19 111.31 3jyn n GLY 216 Ca -0.04 -0.69 -0.01 0.00 0.00 0.00 0.00 46.02 45.28 3jyn n GLY 216 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3jyn n VAL 217 N 1.37 0.80 -0.34 1.61 0.24 -1.26 -2.63 118.33 118.12 3jyn n VAL 217 Ca 0.19 -0.71 0.00 0.00 -2.04 0.00 0.00 64.34 61.78 3jyn n VAL 217 Cb 0.57 -0.27 0.00 0.00 -1.47 0.00 0.00 33.84 32.67 3jyn n VAL 217 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3jyn n GLY 218 N 1.54 0.51 0.01 7.63 0.00 -1.19 0.09 105.19 113.79 3jyn n GLY 218 Ca -0.21 -0.68 -0.00 0.00 0.00 0.00 0.00 46.02 45.13 3jyn n GLY 218 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3jyn n GLN 219 N 12.14 -0.01 0.33 1.61 7.27 -0.13 -0.42 117.38 138.17 3jyn n GLN 219 Ca 0.00 0.34 0.17 0.00 0.07 0.00 0.00 57.00 57.58 3jyn n GLN 219 Cb 0.00 -0.50 0.91 0.00 2.41 0.00 0.00 30.24 33.06 3jyn n GLN 219 CO 0.00 0.00 0.00 -0.44 0.07 0.00 0.00 177.06 176.69 3jyn h ASP 220 N 0.00 0.00 -0.01 1.69 3.32 -1.82 -2.32 116.42 117.29 3jyn h ASP 220 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3jyn h ASP 220 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3jyn h ASP 220 CO -0.01 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.86 3jyn n THR 221 N -2.91 0.57 0.04 0.35 -2.24 0.43 -4.79 114.28 105.74 3jyn n THR 221 Ca -0.02 -0.79 -0.11 0.00 -2.27 0.00 0.00 64.05 60.86 3jyn n THR 221 Cb 0.29 0.72 -0.04 0.00 -2.10 0.00 0.00 70.33 69.20 3jyn n THR 221 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 3jyn h TRP 222 N 0.07 -0.61 -0.80 4.78 -0.00 -0.82 0.13 115.95 118.70 3jyn h TRP 222 Ca 0.00 0.02 -0.04 0.00 -0.00 0.00 0.00 58.89 58.87 3jyn h TRP 222 Cb 0.30 0.27 -0.04 0.00 -0.00 0.00 0.00 29.16 29.69 3jyn h TRP 222 CO 0.00 -0.31 0.34 -0.07 -0.00 0.00 0.00 178.44 178.40 3jyn h LEU 223 N -0.34 1.09 -0.83 0.65 -0.00 -1.87 -0.92 115.31 113.08 3jyn h LEU 223 Ca 0.07 -0.16 0.03 0.00 -0.00 0.00 0.00 57.88 57.82 3jyn h LEU 223 Cb 0.44 -0.28 -0.05 0.00 -0.00 0.00 0.00 40.66 40.77 3jyn h LEU 223 CO -0.23 0.95 0.54 0.74 -0.00 0.00 0.00 178.44 180.44 3jyn h THR 224 N 1.15 1.15 -0.40 0.22 2.02 -1.73 0.25 112.91 115.57 3jyn h THR 224 Ca 0.27 -0.36 -0.15 0.00 0.77 0.00 0.00 66.41 66.94 3jyn h THR 224 Cb 0.19 -0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 3jyn h THR 224 CO -0.03 0.19 -0.32 0.28 0.37 0.00 0.00 175.52 176.02 3jyn h SER 225 N 1.06 0.98 -0.05 4.18 0.02 -0.39 -1.72 113.55 117.62 3jyn h SER 225 Ca 0.33 -0.44 -0.04 0.00 -0.84 0.00 0.00 61.79 60.80 3jyn h SER 225 Cb -0.02 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.24 3jyn h SER 225 CO -0.11 1.21 -0.06 -0.07 -1.14 0.00 0.00 176.83 176.67 3jyn h LEU 226 N 0.75 0.25 -0.19 5.07 3.38 -0.59 -1.85 115.31 122.13 3jyn h LEU 226 Ca 0.08 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3jyn h LEU 226 Cb 0.90 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.59 3jyn h LEU 226 CO 0.08 0.35 -0.23 0.47 0.09 0.00 0.00 178.44 179.21 3jyn n ASP 227 N -4.32 0.52 -0.00 -0.43 8.00 0.02 -3.86 116.55 116.47 3jyn n ASP 227 Ca -0.00 -0.39 0.07 0.00 0.71 0.00 0.00 54.79 55.18 3jyn n ASP 227 Cb 0.22 -0.01 -0.09 0.00 -0.02 0.00 0.00 41.12 41.23 3jyn n ASP 227 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3jyn n SER 228 N -1.12 0.74 -4.79 -2.24 7.64 -0.67 -4.87 113.62 108.30 3jyn n SER 228 Ca 0.10 -0.82 -0.37 0.00 1.01 0.00 0.00 58.87 58.79 3jyn n SER 228 Cb 0.32 1.03 -0.06 0.00 -1.01 0.00 0.00 64.21 64.48 3jyn n SER 228 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3jyn s VAL 229 N -2.44 4.37 0.68 0.44 0.11 -0.87 -1.62 120.40 121.07 3jyn s VAL 229 Ca 0.05 1.60 -0.12 0.00 -2.93 0.00 0.00 61.98 60.58 3jyn s VAL 229 Cb 0.11 -3.98 0.00 0.00 -1.53 0.00 0.00 36.38 30.98 3jyn s VAL 229 CO 0.62 0.24 1.06 0.00 -3.33 0.00 0.00 175.10 173.69 3jyn s ALA 230 N -1.49 2.67 0.29 1.54 0.00 0.70 -4.66 121.76 120.80 3jyn s ALA 230 Ca 0.45 0.15 -0.29 0.00 0.00 0.00 0.00 51.96 52.26 3jyn s ALA 230 Cb -0.19 -3.19 -0.13 0.00 0.00 0.00 0.00 23.12 19.61 3jyn s ALA 230 CO 0.23 -1.17 1.19 -2.30 0.00 0.00 0.00 175.76 173.71 3jyn n PRO 231 N -2.96 1.74 -1.71 0.00 -0.02 -1.26 -0.13 135.00 130.67 3jyn n PRO 231 Ca 0.08 0.61 -0.20 0.00 -2.02 0.00 0.00 63.50 61.97 3jyn n PRO 231 Cb 0.53 -2.12 -0.07 0.00 -0.02 0.00 0.00 33.50 31.82 3jyn n PRO 231 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3jyn n ARG 232 N 0.98 -1.49 -2.08 -0.52 1.74 -0.59 -4.96 116.66 109.75 3jyn n ARG 232 Ca 0.09 1.13 -0.20 0.00 -0.77 0.00 0.00 57.85 58.10 3jyn n ARG 232 Cb 0.33 -5.55 0.11 0.00 -1.02 0.00 0.00 32.46 26.33 3jyn n ARG 232 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jyn n GLY 233 N -0.47 0.21 3.27 -0.13 0.00 0.82 -4.71 105.19 104.19 3jyn n GLY 233 Ca -0.20 -1.95 -0.32 0.00 0.00 0.00 0.00 46.02 43.55 3jyn n GLY 233 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3jyn s LEU 234 N 0.00 2.09 -0.31 0.99 2.96 -0.50 -0.49 118.68 123.42 3jyn s LEU 234 Ca 0.56 -0.51 -0.05 0.00 -0.22 0.00 0.00 54.13 53.92 3jyn s LEU 234 Cb -0.03 -1.38 0.03 0.00 0.50 0.00 0.00 46.19 45.32 3jyn s LEU 234 CO 0.38 0.25 0.05 -0.69 -1.32 0.00 0.00 176.35 175.01 3jyn s VAL 235 N -0.17 3.51 -0.50 1.68 1.01 -0.13 -0.90 120.40 124.90 3jyn s VAL 235 Ca -0.03 -1.07 -0.18 0.00 0.00 0.00 0.00 61.98 60.69 3jyn s VAL 235 Cb -0.14 -2.92 0.07 0.00 0.00 0.00 0.00 36.38 33.39 3jyn s VAL 235 CO 0.04 -0.05 0.56 -0.69 0.00 0.00 0.00 175.10 174.96 3jyn s VAL 236 N 1.38 4.98 -0.80 2.92 1.01 0.15 -2.61 120.40 127.44 3jyn s VAL 236 Ca -0.01 -0.70 -0.17 0.00 0.00 0.00 0.00 61.98 61.10 3jyn s VAL 236 Cb -0.19 -4.26 0.16 0.00 0.00 0.00 0.00 36.38 32.10 3jyn s VAL 236 CO 0.01 -0.75 0.86 -0.55 0.00 0.00 0.00 175.10 174.67 3jyn s SER 237 N 2.72 6.57 0.00 3.32 0.15 -0.39 0.13 113.70 126.20 3jyn s SER 237 Ca 0.11 -2.15 0.15 0.00 0.70 0.00 0.00 55.95 54.77 3jyn s SER 237 Cb -0.21 -2.29 0.15 0.00 -1.71 0.00 0.00 66.02 61.96 3jyn s SER 237 CO 0.10 -0.87 1.03 2.22 1.20 0.00 0.00 173.24 176.91 3jyn n PHE 238 N 5.42 0.06 -4.08 3.44 -1.74 -0.77 -4.00 117.46 115.80 3jyn n PHE 238 Ca 0.11 -0.05 -0.10 0.00 -0.56 0.00 0.00 57.45 56.85 3jyn n PHE 238 Cb 0.46 -0.00 -0.09 0.00 1.52 0.00 0.00 39.48 41.38 3jyn n PHE 238 CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 3jyn s GLY 239 N -1.27 0.86 -0.16 4.97 0.00 -1.13 -4.90 107.32 105.69 3jyn s GLY 239 Ca 0.19 -1.26 0.24 0.00 0.00 0.00 0.00 44.72 43.89 3jyn s GLY 239 CO 0.20 -1.12 1.14 0.70 0.00 0.00 0.00 173.10 174.01 3jyn n ASN 240 N -0.20 1.32 -0.27 1.64 5.03 -1.08 -3.15 115.26 118.55 3jyn n ASN 240 Ca -0.04 -2.01 0.08 0.00 0.87 0.00 0.00 54.58 53.47 3jyn n ASN 240 Cb 0.64 -0.40 0.22 0.00 -1.02 0.00 0.00 39.78 39.22 3jyn n ASN 240 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3jyn h ALA 241 N 1.96 1.15 -0.01 5.41 0.00 -1.32 0.26 119.26 126.70 3jyn h ALA 241 Ca -0.18 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3jyn h ALA 241 Cb 1.52 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.45 3jyn h ALA 241 CO 0.14 -0.28 -0.09 -1.13 0.00 0.00 0.00 179.25 177.90 3jyn n SER 242 N -5.06 1.33 0.00 0.00 3.41 0.11 -5.02 113.62 108.40 3jyn n SER 242 Ca 0.17 -1.28 0.00 0.00 -0.26 0.00 0.00 58.87 57.50 3jyn n SER 242 Cb 0.50 0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 3jyn n SER 242 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jyn n GLY 243 N 1.23 3.58 3.80 5.00 0.00 0.90 -4.63 105.19 115.07 3jyn n GLY 243 Ca 0.17 -1.83 -0.33 0.00 0.00 0.00 0.00 46.02 44.03 3jyn n GLY 243 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3jyn s PRO 244 N -3.11 3.47 -0.31 1.61 0.04 -1.26 -0.96 135.00 134.47 3jyn s PRO 244 Ca 0.00 1.30 -0.17 0.00 0.04 0.00 0.00 61.00 62.17 3jyn s PRO 244 Cb 0.00 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 3jyn s PRO 244 CO 0.00 -0.70 0.45 0.54 0.04 0.00 0.00 177.00 177.33 3jyn s VAL 245 N -2.23 5.09 0.34 -0.36 0.11 -1.26 -4.21 120.40 117.89 3jyn s VAL 245 Ca 0.66 0.43 0.04 0.00 -2.93 0.00 0.00 61.98 60.18 3jyn s VAL 245 Cb -0.17 -3.85 -0.03 0.00 -1.53 0.00 0.00 36.38 30.80 3jyn s VAL 245 CO 0.30 -0.05 0.18 -0.94 -3.33 0.00 0.00 175.10 171.26 3jyn s SER 246 N 1.69 1.97 -1.50 3.54 1.04 -1.26 -4.88 113.70 114.31 3jyn s SER 246 Ca 0.17 -1.65 -0.05 0.00 0.48 0.00 0.00 55.95 54.90 3jyn s SER 246 Cb -0.16 0.47 0.01 0.00 0.10 0.00 0.00 66.02 66.44 3jyn s SER 246 CO 0.11 -0.95 0.63 0.61 0.98 0.00 0.00 173.24 174.63 3jyn n GLY 247 N -0.70 -0.48 3.85 7.32 0.00 -1.26 -4.98 105.19 108.93 3jyn n GLY 247 Ca 0.01 0.11 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 3jyn n GLY 247 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3jyn s VAL 248 N -3.18 4.99 -0.31 1.61 -7.23 -1.26 -5.06 120.40 109.97 3jyn s VAL 248 Ca 0.31 0.73 -0.10 0.00 -1.81 0.00 0.00 61.98 61.12 3jyn s VAL 248 Cb -0.14 -3.71 -0.01 0.00 0.56 0.00 0.00 36.38 33.08 3jyn s VAL 248 CO 0.39 0.39 0.15 0.20 -0.31 0.00 0.00 175.10 175.92 3jyn s ASN 249 N -1.48 5.54 0.65 4.85 0.01 -1.26 -4.95 114.94 118.31 3jyn s ASN 249 Ca 0.31 -0.49 0.17 0.00 -0.71 0.00 0.00 52.86 52.14 3jyn s ASN 249 Cb -0.15 -2.00 0.86 0.00 0.41 0.00 0.00 41.25 40.36 3jyn s ASN 249 CO 0.17 -0.18 1.47 -0.07 -1.51 0.00 0.00 177.10 176.98 3jyn h LEU 250 N 8.34 0.00 -2.50 0.60 3.38 -2.03 0.75 115.31 123.86 3jyn h LEU 250 Ca -0.33 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 3jyn h LEU 250 Cb 1.15 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 3jyn h LEU 250 CO 0.61 0.00 -0.01 1.23 0.09 0.00 0.00 178.44 180.36 3jyn h GLY 251 N 0.00 0.00 2.00 0.83 0.00 -2.01 -1.25 103.07 102.64 3jyn h GLY 251 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.32 3jyn h GLY 251 CO -0.00 0.00 -0.29 1.19 0.00 0.00 0.00 176.54 177.44 3jyn h ILE 252 N 0.00 0.84 -0.38 2.60 2.10 0.12 -1.66 117.51 121.13 3jyn h ILE 252 Ca -0.00 -1.18 -0.08 0.00 1.08 0.00 0.00 64.86 64.68 3jyn h ILE 252 Cb 0.02 1.72 -0.02 0.00 -1.09 0.00 0.00 36.82 37.45 3jyn h ILE 252 CO 0.00 0.29 -0.09 -0.07 -1.08 0.00 0.00 178.15 177.20 3jyn h LEU 253 N 0.00 0.62 -0.10 2.19 3.38 -1.40 -0.67 115.31 119.34 3jyn h LEU 253 Ca -0.00 -0.17 -0.18 0.00 0.09 0.00 0.00 57.88 57.63 3jyn h LEU 253 Cb 0.70 -0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.29 3jyn h LEU 253 CO 0.04 0.76 -0.62 0.00 0.09 0.00 0.00 178.44 178.70 3jyn h ALA 254 N 1.31 0.21 -0.80 1.53 0.00 -1.52 -1.27 119.26 118.72 3jyn h ALA 254 Ca 0.11 -0.55 0.08 0.00 0.00 0.00 0.00 54.91 54.55 3jyn h ALA 254 Cb 0.51 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 3jyn h ALA 254 CO 0.03 0.48 0.52 0.37 0.00 0.00 0.00 179.25 180.65 3jyn h GLN 255 N 0.23 0.78 -0.89 0.00 4.15 -0.93 0.26 115.11 118.70 3jyn h GLN 255 Ca -0.05 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.29 3jyn h GLN 255 Cb 1.27 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 28.77 3jyn h GLN 255 CO 0.13 0.52 0.04 1.63 -1.93 0.00 0.00 178.83 179.21 3jyn n LYS 256 N -4.50 2.10 -1.96 1.69 4.76 -0.29 -4.85 118.16 115.12 3jyn n LYS 256 Ca 0.13 -1.00 -0.01 0.00 -2.87 0.00 0.00 58.31 54.56 3jyn n LYS 256 Cb 0.27 -1.68 0.00 0.00 -1.84 0.00 0.00 35.03 31.78 3jyn n LYS 256 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 3jyn n ASP 257 N 0.16 -2.07 -3.69 4.39 4.64 0.06 -4.47 116.55 115.56 3jyn n ASP 257 Ca 0.11 -0.04 -0.27 0.00 -1.38 0.00 0.00 54.79 53.21 3jyn n ASP 257 Cb 0.61 -0.77 0.03 0.00 -1.04 0.00 0.00 41.12 39.95 3jyn n ASP 257 CO 0.00 0.00 0.00 -1.20 -0.82 0.00 0.00 177.20 175.18 3jyn n SER 258 N -1.25 -3.68 -4.84 1.67 7.64 -0.56 -1.54 113.62 111.07 3jyn n SER 258 Ca -0.01 -0.94 -0.24 0.00 1.01 0.00 0.00 58.87 58.69 3jyn n SER 258 Cb 0.51 -3.66 0.07 0.00 -1.01 0.00 0.00 64.21 60.12 3jyn n SER 258 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3jyn s VAL 259 N -3.59 2.37 0.19 0.44 -7.23 -0.72 -3.03 120.40 108.83 3jyn s VAL 259 Ca 0.29 -0.48 0.09 0.00 -1.81 0.00 0.00 61.98 60.07 3jyn s VAL 259 Cb -0.09 -2.89 -0.04 0.00 0.56 0.00 0.00 36.38 33.91 3jyn s VAL 259 CO 0.84 0.00 -0.12 -0.31 -0.31 0.00 0.00 175.10 175.20 3jyn s TYR 260 N -3.08 2.57 -0.04 2.82 1.51 0.36 -4.84 117.35 116.65 3jyn s TYR 260 Ca 0.61 -0.25 -0.06 0.00 -1.01 0.00 0.00 57.07 56.37 3jyn s TYR 260 Cb -0.09 -1.25 0.01 0.00 -0.11 0.00 0.00 41.96 40.52 3jyn s TYR 260 CO 0.43 0.52 0.15 0.54 -1.11 0.00 0.00 175.55 176.08 3jyn s VAL 261 N -1.75 0.02 0.03 0.71 0.11 -1.26 -0.95 120.40 117.30 3jyn s VAL 261 Ca 0.25 -0.15 -0.01 0.00 -2.93 0.00 0.00 61.98 59.13 3jyn s VAL 261 Cb -0.08 -0.27 -0.02 0.00 -1.53 0.00 0.00 36.38 34.48 3jyn s VAL 261 CO 0.14 -0.08 -0.01 0.28 -3.33 0.00 0.00 175.10 172.10 3jyn s THR 262 N -0.24 0.14 -0.60 5.04 -1.32 -1.07 -4.97 115.64 112.62 3jyn s THR 262 Ca -0.03 -1.17 0.05 0.00 -1.21 0.00 0.00 61.69 59.32 3jyn s THR 262 Cb -0.03 -0.70 0.17 0.00 -1.51 0.00 0.00 72.50 70.44 3jyn s THR 262 CO 0.00 -0.65 0.46 -1.14 -2.21 0.00 0.00 174.62 171.09 3jyn n ARG 263 N 1.07 1.31 -1.68 7.08 0.00 -1.26 -1.26 116.66 121.92 3jyn n ARG 263 Ca -0.21 -4.05 -0.31 0.00 -0.00 0.00 0.00 57.85 53.29 3jyn n ARG 263 Cb 0.57 -2.07 0.04 0.00 0.00 0.00 0.00 32.46 31.01 3jyn n ARG 263 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 3jyn s PRO 264 N -1.01 3.05 -0.00 -0.14 0.04 -1.26 -4.99 135.00 130.69 3jyn s PRO 264 Ca 0.28 0.82 0.01 0.00 0.04 0.00 0.00 61.00 62.16 3jyn s PRO 264 Cb -0.00 -2.01 -0.00 0.00 0.04 0.00 0.00 34.50 32.52 3jyn s PRO 264 CO -0.17 -0.98 -0.03 -0.08 0.04 0.00 0.00 177.00 175.78 3jyn s THR 265 N -3.12 0.21 0.27 1.26 -1.32 -1.26 -4.75 115.64 106.93 3jyn s THR 265 Ca 0.57 -0.10 0.01 0.00 -1.21 0.00 0.00 61.69 60.96 3jyn s THR 265 Cb -0.13 -0.19 0.26 0.00 -1.51 0.00 0.00 72.50 70.93 3jyn s THR 265 CO 0.54 0.06 1.74 0.25 -2.21 0.00 0.00 174.62 175.01 3jyn h LEU 266 N 6.15 0.48 -1.71 9.08 6.46 -1.98 0.26 115.31 134.06 3jyn h LEU 266 Ca -0.27 0.11 0.15 0.00 -0.12 0.00 0.00 57.88 57.75 3jyn h LEU 266 Cb 1.20 0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 41.13 3jyn h LEU 266 CO 0.50 0.15 0.47 1.23 -0.62 0.00 0.00 178.44 180.18 3jyn h GLY 267 N 0.56 0.48 2.00 3.75 0.00 -1.96 0.10 103.07 108.00 3jyn h GLY 267 Ca 0.50 -0.12 -0.15 0.00 0.00 0.00 0.00 47.33 47.56 3jyn h GLY 267 CO -0.42 0.04 -0.72 0.23 0.00 0.00 0.00 176.54 175.68 3jyn h SER 268 N 0.29 0.00 0.17 0.19 0.87 -1.36 -2.92 113.55 110.79 3jyn h SER 268 Ca 0.33 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.54 3jyn h SER 268 Cb 0.91 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.85 3jyn h SER 268 CO -0.08 0.72 -1.96 -1.22 -0.53 0.00 0.00 176.83 173.75 3jyn n TYR 269 N -3.52 1.25 -2.09 2.24 4.02 -0.65 -4.14 117.16 114.27 3jyn n TYR 269 Ca -0.00 0.28 -0.40 0.00 -0.01 0.00 0.00 57.90 57.77 3jyn n TYR 269 Cb 0.74 -1.17 0.03 0.00 -0.02 0.00 0.00 39.34 38.92 3jyn n TYR 269 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3jyn n ALA 270 N -2.95 6.40 0.98 -0.72 0.00 0.26 -4.68 120.51 119.80 3jyn n ALA 270 Ca -0.30 -4.23 0.05 0.00 0.00 0.00 0.00 53.44 48.96 3jyn n ALA 270 Cb 1.05 -2.01 0.14 0.00 0.00 0.00 0.00 19.45 18.63 3jyn n ALA 270 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3jyn n ASN 271 N -0.43 1.71 -3.93 0.00 6.94 -1.10 -4.69 115.26 113.75 3jyn n ASN 271 Ca 0.52 -2.01 -0.10 0.00 -0.02 0.00 0.00 54.58 52.96 3jyn n ASN 271 Cb 0.25 -0.22 -0.12 0.00 -2.36 0.00 0.00 39.78 37.32 3jyn n ASN 271 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 3jyn s ASN 272 N -0.98 0.14 0.00 0.53 0.02 -1.26 -4.98 114.94 108.41 3jyn s ASN 272 Ca 0.21 -0.28 0.00 0.00 -1.02 0.00 0.00 52.86 51.77 3jyn s ASN 272 Cb 0.11 0.05 0.00 0.00 0.02 0.00 0.00 41.25 41.43 3jyn s ASN 272 CO 0.14 -0.16 0.00 0.00 0.02 0.00 0.00 177.10 177.09 3jyn n ALA 273 N 2.26 0.82 0.00 0.60 0.00 -1.23 -1.53 120.51 121.42 3jyn n ALA 273 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 3jyn n ALA 273 Cb 0.57 -0.62 0.00 0.00 0.00 0.00 0.00 19.45 19.40 3jyn n ALA 273 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3jyn n GLN 274 N -0.08 0.00 0.26 0.00 3.00 -1.26 -4.11 117.38 115.19 3jyn n GLN 274 Ca 0.00 0.00 0.16 0.00 -0.01 0.00 0.00 57.00 57.15 3jyn n GLN 274 Cb 0.00 -0.17 0.55 0.00 0.00 0.00 0.00 30.24 30.62 3jyn n GLN 274 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.06 176.15 3jyn h ASN 275 N 0.00 0.00 -0.11 1.08 -0.26 -1.81 -1.67 115.58 112.81 3jyn h ASN 275 Ca 0.00 0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 55.61 3jyn h ASN 275 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.26 3jyn h ASN 275 CO 0.00 0.01 -0.43 0.25 -1.06 0.00 0.00 177.43 176.20 3jyn h LEU 276 N 0.00 0.57 0.21 1.61 5.85 -1.54 -2.69 115.31 119.33 3jyn h LEU 276 Ca -0.00 -0.62 -0.01 0.00 0.84 0.00 0.00 57.88 58.09 3jyn h LEU 276 Cb 0.65 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 3jyn h LEU 276 CO 0.00 1.10 -0.14 1.56 -0.34 0.00 0.00 178.44 180.63 3jyn h GLN 277 N 0.08 -0.33 -0.88 1.25 1.08 -1.54 0.46 115.11 115.23 3jyn h GLN 277 Ca -0.02 0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.24 3jyn h GLN 277 Cb 1.07 0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 28.52 3jyn h GLN 277 CO 0.09 -0.22 0.56 0.00 -0.95 0.00 0.00 178.83 178.32 3jyn h THR 278 N -0.34 1.13 -0.34 -0.54 1.03 -1.43 0.22 112.91 112.64 3jyn h THR 278 Ca -0.02 -0.37 -0.09 0.00 -0.01 0.00 0.00 66.41 65.92 3jyn h THR 278 Cb 0.29 -0.05 -0.01 0.00 -1.07 0.00 0.00 68.15 67.31 3jyn h THR 278 CO 0.02 0.20 -0.13 0.24 -0.01 0.00 0.00 175.52 175.84 3jyn h MET 279 N 1.08 0.68 -0.57 0.00 2.86 -1.11 -2.81 114.93 115.07 3jyn h MET 279 Ca 0.35 -0.28 -0.08 0.00 -2.06 0.00 0.00 59.70 57.64 3jyn h MET 279 Cb 0.03 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 3jyn h MET 279 CO -0.13 0.87 0.05 0.00 1.06 0.00 0.00 176.91 178.77 3jyn h ALA 280 N 0.79 1.02 -0.90 6.32 0.00 0.41 -1.73 119.26 125.17 3jyn h ALA 280 Ca 0.08 -0.27 0.02 0.00 0.00 0.00 0.00 54.91 54.74 3jyn h ALA 280 Cb 0.65 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 3jyn h ALA 280 CO 0.04 0.61 0.59 -0.44 0.00 0.00 0.00 179.25 180.06 3jyn h ASP 281 N 0.88 1.00 -0.38 0.00 3.32 -0.49 -0.01 116.42 120.74 3jyn h ASP 281 Ca 0.17 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.10 3jyn h ASP 281 Cb 0.44 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3jyn h ASP 281 CO 0.02 0.71 -0.16 -0.08 -1.72 0.00 0.00 179.24 178.00 3jyn h GLU 282 N 1.18 0.79 0.35 3.56 4.81 -1.21 -0.50 114.58 123.56 3jyn h GLU 282 Ca 0.34 -0.34 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3jyn h GLU 282 Cb -0.08 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.27 3jyn h GLU 282 CO -0.09 0.96 -0.18 1.25 -0.73 0.00 0.00 179.01 180.22 3jyn h LEU 283 N 0.59 -0.43 -1.65 1.64 5.85 -0.83 -1.18 115.31 119.30 3jyn h LEU 283 Ca 0.09 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3jyn h LEU 283 Cb 0.71 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.85 3jyn h LEU 283 CO 0.05 -0.30 -0.05 -0.26 -0.34 0.00 0.00 178.44 177.54 3jyn h PHE 284 N -0.48 0.00 -0.08 1.25 0.04 -1.02 -2.03 116.94 114.62 3jyn h PHE 284 Ca -0.04 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.54 3jyn h PHE 284 Cb 0.38 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.53 3jyn h PHE 284 CO -0.06 0.05 -0.74 -0.44 -0.60 0.00 0.00 178.31 176.52 3jyn h ASP 285 N 0.00 0.51 -0.48 2.17 5.19 -0.64 -0.73 116.42 122.43 3jyn h ASP 285 Ca -0.00 -0.34 -0.11 0.00 -0.62 0.00 0.00 57.03 55.96 3jyn h ASP 285 Cb 0.47 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.81 3jyn h ASP 285 CO 0.01 1.08 -0.13 0.24 -3.12 0.00 0.00 179.24 177.32 3jyn h MET 286 N 0.29 0.94 0.07 3.56 2.86 -0.53 -1.42 114.93 120.70 3jyn h MET 286 Ca -0.03 -0.37 -0.00 0.00 -2.06 0.00 0.00 59.70 57.24 3jyn h MET 286 Cb 1.32 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.93 3jyn h MET 286 CO 0.13 1.03 -0.03 1.25 1.06 0.00 0.00 176.91 180.34 3jyn h LEU 287 N 0.79 -0.08 -1.72 1.22 5.85 -1.35 0.15 115.31 120.17 3jyn h LEU 287 Ca 0.12 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.63 3jyn h LEU 287 Cb 0.69 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 3jyn h LEU 287 CO 0.05 0.20 0.25 0.00 -0.34 0.00 0.00 178.44 178.60 3jyn h ALA 288 N 0.54 1.89 -0.00 1.25 0.00 -1.08 -1.06 119.26 120.80 3jyn h ALA 288 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3jyn h ALA 288 Cb 0.32 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3jyn h ALA 288 CO 0.02 0.06 -0.15 -1.13 0.00 0.00 0.00 179.25 178.05 3jyn n SER 289 N -4.48 0.40 0.00 0.00 3.41 -0.54 -4.93 113.62 107.48 3jyn n SER 289 Ca 0.04 -0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.30 3jyn n SER 289 Cb 0.17 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 3jyn n SER 289 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jyn n GLY 290 N 1.35 0.60 0.13 5.00 0.00 -0.40 -4.93 105.19 106.93 3jyn n GLY 290 Ca 0.12 -0.25 0.05 0.00 0.00 0.00 0.00 46.02 45.94 3jyn n GLY 290 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3jyn h LYS 291 N 1.23 0.00 -6.25 1.61 1.57 -1.19 -3.45 116.57 110.08 3jyn h LYS 291 Ca 0.00 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.15 3jyn h LYS 291 Cb 0.00 0.00 -0.28 0.00 0.08 0.00 0.00 32.23 32.03 3jyn h LYS 291 CO 0.00 0.24 -0.86 -0.51 -0.57 0.00 0.00 179.45 177.75 3jyn s LEU 292 N -5.93 2.11 0.02 2.94 1.43 -1.02 -4.71 118.68 113.52 3jyn s LEU 292 Ca 0.01 -0.48 -0.09 0.00 -1.03 0.00 0.00 54.13 52.54 3jyn s LEU 292 Cb 0.08 -1.11 0.00 0.00 0.03 0.00 0.00 46.19 45.19 3jyn s LEU 292 CO 0.77 0.23 0.18 -1.59 0.23 0.00 0.00 176.35 176.17 3jyn s LYS 293 N -0.87 0.60 -0.03 1.70 -2.85 -1.26 -4.38 119.74 112.66 3jyn s LYS 293 Ca 0.09 -0.51 -0.04 0.00 -1.00 0.00 0.00 55.97 54.51 3jyn s LYS 293 Cb -0.09 0.25 -0.03 0.00 -2.06 0.00 0.00 37.83 35.91 3jyn s LYS 293 CO 0.01 -0.16 -0.09 1.33 0.10 0.00 0.00 175.35 176.53 3jyn n VAL 294 N 1.04 0.80 0.00 1.79 0.24 -1.26 -5.04 118.33 115.90 3jyn n VAL 294 Ca -0.21 0.09 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 3jyn n VAL 294 Cb 0.57 -1.68 0.00 0.00 -1.47 0.00 0.00 33.84 31.26 3jyn n VAL 294 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3jyn n ASP 295 N -3.52 0.00 0.00 -1.34 2.03 -1.26 -4.49 116.55 107.98 3jyn n ASP 295 Ca -0.10 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.21 3jyn n ASP 295 Cb 0.40 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.80 3jyn n ASP 295 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3jyn n GLY 296 N 0.00 0.31 3.15 0.27 0.00 -1.26 -5.14 105.19 102.52 3jyn n GLY 296 Ca 0.00 -0.70 -0.33 0.00 0.00 0.00 0.00 46.02 44.99 3jyn n GLY 296 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jyn s ILE 297 N 0.00 2.17 0.18 -0.61 1.01 -1.26 -4.70 121.20 117.98 3jyn s ILE 297 Ca 0.00 -0.92 -0.30 0.00 0.00 0.00 0.00 60.65 59.43 3jyn s ILE 297 Cb 0.00 -1.90 -0.08 0.00 0.01 0.00 0.00 42.46 40.49 3jyn s ILE 297 CO 0.00 0.54 0.95 -0.70 0.00 0.00 0.00 174.94 175.72 3jyn s GLU 298 N 1.13 4.78 -0.08 2.79 2.56 -1.24 -4.94 118.70 123.70 3jyn s GLU 298 Ca 0.01 1.46 0.04 0.00 0.00 0.00 0.00 54.97 56.48 3jyn s GLU 298 Cb -0.14 -3.32 0.00 0.00 2.00 0.00 0.00 34.13 32.67 3jyn s GLU 298 CO -0.08 0.38 -0.22 -0.65 -0.56 0.00 0.00 175.26 174.13 3jyn s GLN 299 N -0.65 2.66 0.06 4.30 -0.21 -1.26 -1.23 119.66 123.35 3jyn s GLN 299 Ca 0.44 -0.78 0.09 0.00 0.02 0.00 0.00 55.36 55.12 3jyn s GLN 299 Cb -0.25 -2.07 -0.03 0.00 1.00 0.00 0.00 33.01 31.66 3jyn s GLN 299 CO 0.31 0.18 -0.25 0.71 -2.12 0.00 0.00 175.29 174.13 3jyn s TYR 300 N 0.31 2.15 0.19 0.91 2.02 -0.53 -4.99 117.35 117.41 3jyn s TYR 300 Ca -0.15 -0.40 -0.30 0.00 -0.37 0.00 0.00 57.07 55.85 3jyn s TYR 300 Cb -0.17 -1.26 -0.08 0.00 -0.40 0.00 0.00 41.96 40.06 3jyn s TYR 300 CO 0.07 0.16 1.20 0.00 -1.57 0.00 0.00 175.55 175.41 3jyn s ALA 301 N -0.87 3.44 0.41 3.71 0.00 -1.26 -0.09 121.76 127.09 3jyn s ALA 301 Ca 0.11 0.95 0.24 0.00 0.00 0.00 0.00 51.96 53.26 3jyn s ALA 301 Cb -0.10 -3.41 1.29 0.00 0.00 0.00 0.00 23.12 20.89 3jyn s ALA 301 CO 0.03 -0.37 1.66 1.25 0.00 0.00 0.00 175.76 178.33 3jyn h LEU 302 N 5.22 0.34 -2.30 0.00 5.85 -1.22 1.83 115.31 125.03 3jyn h LEU 302 Ca -0.45 0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.41 3jyn h LEU 302 Cb 1.21 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 42.35 3jyn h LEU 302 CO 0.74 -0.13 -0.01 0.07 -0.34 0.00 0.00 178.44 178.78 3jyn h LYS 303 N 0.19 0.00 -0.88 1.25 2.10 -1.90 -2.12 116.57 115.22 3jyn h LYS 303 Ca 0.76 0.00 -0.41 0.00 -2.00 0.00 0.00 60.65 59.00 3jyn h LYS 303 Cb 2.15 0.00 -0.24 0.00 -0.90 0.00 0.00 32.23 33.23 3jyn h LYS 303 CO -0.45 0.01 0.49 -0.25 -2.00 0.00 0.00 179.45 177.26 3jyn n ASP 304 N -3.13 3.95 0.05 7.07 10.43 0.62 -4.60 116.55 130.96 3jyn n ASP 304 Ca -0.01 -3.52 0.13 0.00 2.57 0.00 0.00 54.79 53.96 3jyn n ASP 304 Cb 0.18 -0.80 0.61 0.00 1.84 0.00 0.00 41.12 42.95 3jyn n ASP 304 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3jyn h ALA 305 N 1.46 2.17 -0.45 2.24 0.00 -1.41 -1.75 119.26 121.53 3jyn h ALA 305 Ca 0.50 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.36 3jyn h ALA 305 Cb 2.63 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 20.39 3jyn h ALA 305 CO 0.95 -0.27 0.10 0.00 0.00 0.00 0.00 179.25 180.04 3jyn h ALA 306 N 1.80 0.59 -0.81 0.00 0.00 -1.86 -1.19 119.26 117.79 3jyn h ALA 306 Ca 0.18 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3jyn h ALA 306 Cb 0.52 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3jyn h ALA 306 CO -0.02 0.28 0.39 0.87 0.00 0.00 0.00 179.25 180.77 3jyn h LYS 307 N 0.59 1.17 -0.35 0.00 1.79 -1.70 -1.16 116.57 116.92 3jyn h LYS 307 Ca 0.14 -0.17 -0.02 0.00 -2.18 0.00 0.00 60.65 58.41 3jyn h LYS 307 Cb 0.33 -0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 30.76 3jyn h LYS 307 CO 0.00 0.90 0.12 0.00 -1.08 0.00 0.00 179.45 179.40 3jyn h ALA 308 N 1.21 0.46 -0.40 3.86 0.00 -1.23 -2.57 119.26 120.58 3jyn h ALA 308 Ca 0.28 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3jyn h ALA 308 Cb 0.12 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3jyn h ALA 308 CO -0.04 0.08 -0.02 1.96 0.00 0.00 0.00 179.25 181.23 3jyn h GLN 309 N 0.41 0.66 -0.72 0.00 4.20 -0.90 -2.14 115.11 116.62 3jyn h GLN 309 Ca 0.11 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 3jyn h GLN 309 Cb 0.22 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 3jyn h GLN 309 CO -0.01 0.69 0.43 0.82 -0.67 0.00 0.00 178.83 180.09 3jyn h ILE 310 N 0.62 1.21 -0.35 2.54 2.04 -0.97 -0.30 117.51 122.29 3jyn h ILE 310 Ca 0.12 -0.47 -0.08 0.00 1.00 0.00 0.00 64.86 65.43 3jyn h ILE 310 Cb 0.42 0.22 -0.01 0.00 -0.74 0.00 0.00 36.82 36.70 3jyn h ILE 310 CO 0.02 0.22 -0.09 -0.33 0.00 0.00 0.00 178.15 177.97 3jyn h GLU 311 N 0.99 0.68 0.38 2.37 4.39 -1.20 -0.85 114.58 121.33 3jyn h GLU 311 Ca 0.26 -0.26 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 3jyn h GLU 311 Cb -0.02 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 3jyn h GLU 311 CO -0.05 0.85 -0.32 1.25 -1.16 0.00 0.00 179.01 179.58 3jyn h LEU 312 N 0.48 -0.86 -1.87 1.33 5.85 -1.08 -2.01 115.31 117.15 3jyn h LEU 312 Ca 0.09 0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 3jyn h LEU 312 Cb 0.60 0.28 -0.00 0.00 0.37 0.00 0.00 40.66 41.91 3jyn h LEU 312 CO 0.04 -0.47 -0.09 0.28 -0.34 0.00 0.00 178.44 177.86 3jyn h SER 313 N -0.71 0.00 0.44 1.25 0.02 -1.06 -1.66 113.55 111.84 3jyn h SER 313 Ca -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 3jyn h SER 313 Cb 0.63 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.17 3jyn h SER 313 CO -0.03 0.09 0.00 0.00 -1.14 0.00 0.00 176.83 175.75 3jyn n ALA 314 N -2.50 2.42 -3.02 3.77 0.00 -0.33 -4.89 120.51 115.96 3jyn n ALA 314 Ca -0.03 -0.14 -0.17 0.00 0.00 0.00 0.00 53.44 53.10 3jyn n ALA 314 Cb 0.16 -1.46 0.04 0.00 0.00 0.00 0.00 19.45 18.20 3jyn n ALA 314 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3jyn n ARG 315 N -1.24 -4.56 -0.68 0.00 1.74 -0.62 -4.92 116.66 106.38 3jyn n ARG 315 Ca 0.15 0.65 -0.00 0.00 -0.77 0.00 0.00 57.85 57.88 3jyn n ARG 315 Cb 0.20 -5.03 0.22 0.00 -1.02 0.00 0.00 32.46 26.83 3jyn n ARG 315 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3jyn n ARG 316 N -3.45 2.22 -4.21 5.56 1.74 -0.81 -5.00 116.66 112.72 3jyn n ARG 316 Ca -0.05 -3.04 -0.13 0.00 -0.77 0.00 0.00 57.85 53.85 3jyn n ARG 316 Cb 0.57 -1.84 -0.10 0.00 -1.02 0.00 0.00 32.46 30.07 3jyn n ARG 316 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 3jyn s THR 317 N -3.10 0.98 0.01 0.55 -1.32 -1.26 -4.94 115.64 106.57 3jyn s THR 317 Ca 0.44 -1.88 0.01 0.00 -1.21 0.00 0.00 61.69 59.05 3jyn s THR 317 Cb 0.38 -1.64 -0.01 0.00 -1.51 0.00 0.00 72.50 69.73 3jyn s THR 317 CO 0.03 -0.71 -0.03 0.42 -2.21 0.00 0.00 174.62 172.12 3jyn s THR 318 N -3.08 0.24 0.00 5.08 -4.23 -1.26 -4.75 115.64 107.64 3jyn s THR 318 Ca 0.12 -0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.29 3jyn s THR 318 Cb 0.01 -0.24 0.00 0.00 1.34 0.00 0.00 72.50 73.61 3jyn s THR 318 CO -0.01 -0.07 0.00 0.61 -0.54 0.00 0.00 174.62 174.61 3jyn n GLY 319 N 2.64 0.11 3.90 3.99 0.00 -0.54 -4.83 105.19 110.45 3jyn n GLY 319 Ca -0.15 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.60 3jyn n GLY 319 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3jyn s SER 320 N -4.00 6.50 -0.01 1.61 0.01 -1.26 -3.45 113.70 113.10 3jyn s SER 320 Ca 0.00 0.70 0.00 0.00 1.31 0.00 0.00 55.95 57.96 3jyn s SER 320 Cb 0.00 -2.14 0.01 0.00 0.21 0.00 0.00 66.02 64.10 3jyn s SER 320 CO 0.00 -0.07 -0.00 -0.89 0.41 0.00 0.00 173.24 172.69 3jyn s THR 321 N -1.86 0.07 0.27 1.44 2.01 -1.26 -3.59 115.64 112.72 3jyn s THR 321 Ca 0.43 0.03 0.09 0.00 0.31 0.00 0.00 61.69 62.55 3jyn s THR 321 Cb -0.11 -0.11 -0.05 0.00 0.01 0.00 0.00 72.50 72.23 3jyn s THR 321 CO 0.26 0.06 -0.13 0.27 -0.69 0.00 0.00 174.62 174.38 3jyn s ILE 322 N 0.35 2.05 -0.09 1.82 -4.36 -0.36 -2.92 121.20 117.70 3jyn s ILE 322 Ca -0.03 -2.26 0.00 0.00 -0.26 0.00 0.00 60.65 58.11 3jyn s ILE 322 Cb -0.05 -2.33 -0.03 0.00 1.25 0.00 0.00 42.46 41.30 3jyn s ILE 322 CO -0.01 -0.39 -0.09 -0.76 0.24 0.00 0.00 174.94 173.93 3jyn s LEU 323 N -3.46 3.02 -0.23 0.37 1.02 0.82 -1.45 118.68 118.76 3jyn s LEU 323 Ca 0.28 -0.13 -0.05 0.00 0.02 0.00 0.00 54.13 54.26 3jyn s LEU 323 Cb -0.01 -1.66 -0.02 0.00 0.02 0.00 0.00 46.19 44.52 3jyn s LEU 323 CO 0.12 0.29 0.00 -0.63 0.02 0.00 0.00 176.35 176.16 3jyn s ILE 324 N -0.40 3.77 -2.00 -0.59 -1.09 0.87 -0.68 121.20 121.08 3jyn s ILE 324 Ca 0.05 -0.36 0.24 0.00 -2.23 0.00 0.00 60.65 58.35 3jyn s ILE 324 Cb -0.12 -2.73 0.67 0.00 -1.58 0.00 0.00 42.46 38.69 3jyn s ILE 324 CO 0.02 0.40 1.77 -0.81 -1.23 0.00 0.00 174.94 175.09