#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yjm n GLY 8 N 0.00 -0.57 3.21 0.00 0.00 -1.26 -5.06 105.19 101.51 1yjm n GLY 8 Ca 0.00 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 1yjm n GLY 8 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1yjm s ARG 9 N -0.78 0.75 0.15 1.61 1.70 -1.16 -5.00 118.95 116.22 1yjm s ARG 9 Ca 0.00 -0.58 -0.10 0.00 -0.47 0.00 0.00 55.73 54.58 1yjm s ARG 9 Cb 0.00 0.32 -0.06 0.00 -0.57 0.00 0.00 34.95 34.63 1yjm s ARG 9 CO 0.00 -0.23 0.47 -0.51 -1.08 0.00 0.00 175.30 173.96 1yjm s LEU 10 N -2.09 4.27 0.22 -1.89 1.43 -1.26 -0.50 118.68 118.86 1yjm s LEU 10 Ca -0.05 0.85 -0.14 0.00 -1.03 0.00 0.00 54.13 53.76 1yjm s LEU 10 Cb -0.01 -3.34 0.01 0.00 0.03 0.00 0.00 46.19 42.88 1yjm s LEU 10 CO -0.04 0.05 0.47 -1.66 0.23 0.00 0.00 176.35 175.40 1yjm s TRP 11 N -1.60 0.20 -0.20 0.29 1.48 -0.73 -2.20 118.94 116.18 1yjm s TRP 11 Ca 0.40 -0.57 -0.01 0.00 -1.06 0.00 0.00 56.10 54.86 1yjm s TRP 11 Cb -0.13 0.23 0.01 0.00 -1.16 0.00 0.00 33.47 32.42 1yjm s TRP 11 CO 0.21 -0.94 -0.12 -0.51 -4.06 0.00 0.00 176.95 171.53 1yjm s LEU 12 N -2.96 2.51 -0.17 -4.66 1.43 0.97 -0.23 118.68 115.57 1yjm s LEU 12 Ca 0.17 -0.52 -0.15 0.00 -1.03 0.00 0.00 54.13 52.60 1yjm s LEU 12 Cb -0.00 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.57 1yjm s LEU 12 CO 0.04 -0.01 0.35 -1.58 0.23 0.00 0.00 176.35 175.38 1yjm s GLN 13 N 1.36 4.25 0.48 1.70 0.74 0.46 -2.26 119.66 126.38 1yjm s GLN 13 Ca 0.05 0.18 0.01 0.00 0.05 0.00 0.00 55.36 55.65 1yjm s GLN 13 Cb -0.14 -3.46 0.01 0.00 1.10 0.00 0.00 33.01 30.52 1yjm s GLN 13 CO -0.08 0.14 0.70 -1.12 -0.55 0.00 0.00 175.29 174.38 1yjm s SER 14 N 0.67 5.64 0.99 6.67 0.01 -1.26 -1.09 113.70 125.33 1yjm s SER 14 Ca 0.19 0.15 -0.11 0.00 1.31 0.00 0.00 55.95 57.48 1yjm s SER 14 Cb -0.14 -1.27 0.19 0.00 0.21 0.00 0.00 66.02 65.01 1yjm s SER 14 CO 0.06 -0.85 1.09 -2.84 0.41 0.00 0.00 173.24 171.11 1yjm s PRO 15 N -4.61 0.46 0.14 12.44 0.02 -1.26 -4.84 135.00 137.35 1yjm s PRO 15 Ca 0.52 1.12 -0.33 0.00 0.02 0.00 0.00 61.00 62.32 1yjm s PRO 15 Cb -0.10 -1.69 -0.13 0.00 0.02 0.00 0.00 34.50 32.60 1yjm s PRO 15 CO 0.38 -2.87 1.68 2.41 -0.33 0.00 0.00 177.00 178.27 1yjm n THR 16 N -4.36 0.11 0.00 0.99 -1.04 -1.26 -0.65 114.28 108.08 1yjm n THR 16 Ca 0.07 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 1yjm n THR 16 Cb 0.54 -1.76 0.00 0.00 -1.82 0.00 0.00 70.33 67.29 1yjm n THR 16 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1yjm n GLY 17 N 3.76 3.27 0.94 3.41 0.00 -1.26 -5.05 105.19 110.26 1yjm n GLY 17 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 1yjm n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yjm n GLY 18 N -1.77 -2.33 3.59 -0.02 0.00 0.18 -5.02 105.19 99.82 1yjm n GLY 18 Ca 0.00 -1.49 -0.30 0.00 0.00 0.00 0.00 46.02 44.23 1yjm n GLY 18 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1yjm s PRO 19 N -3.68 0.12 0.98 1.61 0.02 -1.26 -4.96 135.00 127.84 1yjm s PRO 19 Ca 0.19 1.25 -0.12 0.00 0.02 0.00 0.00 61.00 62.34 1yjm s PRO 19 Cb -0.02 -1.64 0.18 0.00 0.02 0.00 0.00 34.50 33.04 1yjm s PRO 19 CO 0.14 -3.15 1.09 -2.14 -0.33 0.00 0.00 177.00 172.61 1yjm s PRO 20 N -4.55 0.55 0.04 5.54 0.02 -1.26 -4.52 135.00 130.82 1yjm s PRO 20 Ca 0.68 0.66 -0.38 0.00 0.02 0.00 0.00 61.00 61.98 1yjm s PRO 20 Cb -0.24 -1.74 -0.17 0.00 0.02 0.00 0.00 34.50 32.37 1yjm s PRO 20 CO 0.61 -2.69 1.30 -2.30 -0.33 0.00 0.00 177.00 173.59 1yjm n PRO 21 N -4.17 0.87 -3.61 5.54 -0.02 -1.26 -4.81 135.00 127.54 1yjm n PRO 21 Ca 0.06 0.31 -0.39 0.00 -2.02 0.00 0.00 63.50 61.46 1yjm n PRO 21 Cb 0.56 -1.92 -0.11 0.00 -0.02 0.00 0.00 33.50 32.01 1yjm n PRO 21 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1yjm s ILE 22 N 0.52 4.83 0.05 4.25 1.01 -0.96 -4.94 121.20 125.96 1yjm s ILE 22 Ca 0.87 -0.38 -0.16 0.00 0.00 0.00 0.00 60.65 60.97 1yjm s ILE 22 Cb -1.04 -3.48 -0.06 0.00 0.01 0.00 0.00 42.46 37.88 1yjm s ILE 22 CO 0.50 0.02 0.49 -0.36 0.00 0.00 0.00 174.94 175.60 1yjm s PHE 23 N 1.65 3.74 -0.07 3.97 0.40 -1.26 -0.02 117.98 126.39 1yjm s PHE 23 Ca 0.05 1.11 -0.10 0.00 -0.60 0.00 0.00 56.93 57.39 1yjm s PHE 23 Cb -0.17 -2.38 -0.05 0.00 0.51 0.00 0.00 43.02 40.93 1yjm s PHE 23 CO 0.08 0.59 0.26 -0.51 0.70 0.00 0.00 175.22 176.33 1yjm s LEU 24 N -1.24 4.42 0.23 -0.37 1.43 -0.93 -4.98 118.68 117.24 1yjm s LEU 24 Ca 0.28 0.68 -0.32 0.00 -1.03 0.00 0.00 54.13 53.74 1yjm s LEU 24 Cb -0.18 -2.29 -0.13 0.00 0.03 0.00 0.00 46.19 43.62 1yjm s LEU 24 CO 0.17 0.37 1.49 -2.65 0.23 0.00 0.00 176.35 175.96 1yjm n PRO 25 N 1.93 2.20 -0.10 1.29 -0.02 -1.26 -4.69 135.00 134.35 1yjm n PRO 25 Ca -0.17 0.79 0.11 0.00 -2.02 0.00 0.00 63.50 62.21 1yjm n PRO 25 Cb 0.54 -2.50 0.30 0.00 -0.02 0.00 0.00 33.50 31.82 1yjm n PRO 25 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1yjm n SER 26 N 2.54 2.41 -1.04 2.55 3.41 -1.26 -4.17 113.62 118.06 1yjm n SER 26 Ca 0.13 -1.82 0.05 0.00 -0.26 0.00 0.00 58.87 56.97 1yjm n SER 26 Cb 0.32 -0.13 0.26 0.00 -0.26 0.00 0.00 64.21 64.39 1yjm n SER 26 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1yjm n ASP 27 N 0.82 3.75 0.00 4.04 3.85 -1.26 -4.80 116.55 122.95 1yjm n ASP 27 Ca 0.17 -3.16 0.00 0.00 -0.71 0.00 0.00 54.79 51.09 1yjm n ASP 27 Cb 0.46 -0.58 0.00 0.00 -1.35 0.00 0.00 41.12 39.65 1yjm n ASP 27 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1yjm n GLY 28 N -0.58 0.84 3.75 6.12 0.00 -1.26 -5.01 105.19 109.06 1yjm n GLY 28 Ca 0.25 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 1yjm n GLY 28 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1yjm s GLN 29 N -0.09 4.54 0.36 1.61 -1.52 -1.26 -4.83 119.66 118.47 1yjm s GLN 29 Ca 0.00 1.90 -0.26 0.00 -1.95 0.00 0.00 55.36 55.05 1yjm s GLN 29 Cb 0.00 -3.19 -0.09 0.00 -0.22 0.00 0.00 33.01 29.51 1yjm s GLN 29 CO 0.00 0.04 1.08 0.00 -0.25 0.00 0.00 175.29 176.16 1yjm s ALA 30 N -0.76 3.19 -0.20 6.09 0.00 -1.26 -4.57 121.76 124.25 1yjm s ALA 30 Ca 0.48 0.80 0.01 0.00 0.00 0.00 0.00 51.96 53.25 1yjm s ALA 30 Cb -0.33 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.52 1yjm s ALA 30 CO 0.41 -0.24 -0.15 -1.17 0.00 0.00 0.00 175.76 174.61 1yjm s LEU 31 N -2.27 2.44 -0.26 0.00 2.96 0.27 -4.95 118.68 116.87 1yjm s LEU 31 Ca 0.54 -0.87 -0.19 0.00 -0.22 0.00 0.00 54.13 53.39 1yjm s LEU 31 Cb -0.26 -1.41 -0.02 0.00 0.50 0.00 0.00 46.19 44.99 1yjm s LEU 31 CO 0.33 -0.08 0.56 -0.69 -1.32 0.00 0.00 176.35 175.14 1yjm s VAL 32 N 1.29 5.04 0.16 1.68 1.01 -1.26 -0.13 120.40 128.18 1yjm s VAL 32 Ca 0.00 0.97 0.07 0.00 0.00 0.00 0.00 61.98 63.02 1yjm s VAL 32 Cb -0.15 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1yjm s VAL 32 CO -0.10 0.06 -0.02 -0.76 0.00 0.00 0.00 175.10 174.28 1yjm s LEU 33 N 2.38 3.26 0.00 3.92 1.43 0.04 -4.99 118.68 124.72 1yjm s LEU 33 Ca 0.23 -0.39 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1yjm s LEU 33 Cb -0.16 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.12 1yjm s LEU 33 CO 0.09 0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.39 1yjm n GLY 34 N 0.07 -0.62 3.68 -3.19 0.00 -1.26 -1.88 105.19 101.99 1yjm n GLY 34 Ca -0.10 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.88 1yjm n GLY 34 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1yjm s ARG 35 N -0.74 4.17 0.00 1.61 3.52 -0.40 -4.61 118.95 122.49 1yjm s ARG 35 Ca 0.00 2.43 0.00 0.00 -0.13 0.00 0.00 55.73 58.03 1yjm s ARG 35 Cb 0.00 -3.81 0.00 0.00 -1.56 0.00 0.00 34.95 29.58 1yjm s ARG 35 CO 0.00 -0.83 0.00 0.41 -0.81 0.00 0.00 175.30 174.07 1yjm n GLY 36 N 4.21 1.01 0.24 8.12 0.00 -0.91 -4.49 105.19 113.37 1yjm n GLY 36 Ca 0.18 -1.03 0.13 0.00 0.00 0.00 0.00 46.02 45.29 1yjm n GLY 36 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yjm h PRO 37 N 0.00 0.00 -0.49 1.61 0.13 -1.90 0.21 132.00 131.56 1yjm h PRO 37 Ca 0.00 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 65.01 1yjm h PRO 37 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 1yjm h PRO 37 CO 0.00 0.14 -0.18 1.25 -0.23 0.00 0.00 178.00 178.98 1yjm h LEU 38 N 0.00 0.98 0.00 1.56 5.85 -1.95 -3.10 115.31 118.64 1yjm h LEU 38 Ca -0.00 -0.35 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1yjm h LEU 38 Cb 0.62 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.39 1yjm h LEU 38 CO 0.02 1.13 -1.00 0.35 -0.34 0.00 0.00 178.44 178.61 1yjm n THR 39 N -4.12 0.17 -2.14 1.05 -2.24 -1.13 -4.84 114.28 101.02 1yjm n THR 39 Ca 0.01 -0.23 -0.18 0.00 -2.27 0.00 0.00 64.05 61.37 1yjm n THR 39 Cb 0.44 0.21 -0.03 0.00 -2.10 0.00 0.00 70.33 68.85 1yjm n THR 39 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1yjm n GLN 40 N -1.94 -1.71 -3.41 -0.78 6.02 0.73 -4.67 117.38 111.61 1yjm n GLN 40 Ca 0.02 0.94 -0.38 0.00 -0.01 0.00 0.00 57.00 57.57 1yjm n GLN 40 Cb 0.43 -5.49 -0.08 0.00 1.02 0.00 0.00 30.24 26.12 1yjm n GLN 40 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1yjm s VAL 41 N -2.79 5.20 -1.06 5.09 1.01 -1.13 -4.95 120.40 121.77 1yjm s VAL 41 Ca 0.00 0.63 0.11 0.00 0.00 0.00 0.00 61.98 62.72 1yjm s VAL 41 Cb 0.00 -3.70 0.25 0.00 0.00 0.00 0.00 36.38 32.93 1yjm s VAL 41 CO 0.00 0.23 1.15 0.35 0.00 0.00 0.00 175.10 176.83 1yjm n THR 42 N 4.56 0.73 -2.10 3.92 -2.24 -1.26 -2.15 114.28 115.74 1yjm n THR 42 Ca -0.09 -0.87 -0.42 0.00 -2.27 0.00 0.00 64.05 60.40 1yjm n THR 42 Cb 0.51 0.70 -0.03 0.00 -2.10 0.00 0.00 70.33 69.41 1yjm n THR 42 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1yjm s ASP 43 N -0.98 6.69 0.52 3.42 -1.08 -1.26 -4.89 116.67 119.09 1yjm s ASP 43 Ca 0.21 2.06 0.26 0.00 -0.52 0.00 0.00 52.55 54.55 1yjm s ASP 43 Cb 0.11 -2.53 1.45 0.00 -1.46 0.00 0.00 42.92 40.49 1yjm s ASP 43 CO 0.15 -0.93 2.09 0.03 0.52 0.00 0.00 175.17 177.04 1yjm h ARG 44 N 9.41 0.00 0.00 4.34 3.08 -2.01 -0.96 114.38 128.24 1yjm h ARG 44 Ca -0.36 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 59.64 1yjm h ARG 44 Cb 1.16 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.20 1yjm h ARG 44 CO 0.96 0.11 -0.25 0.87 -1.07 0.00 0.00 179.97 180.59 1yjm h LYS 45 N 0.00 0.00 -6.09 0.04 1.57 -2.03 -3.40 116.57 106.66 1yjm h LYS 45 Ca -0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 1yjm h LYS 45 Cb 0.27 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.52 1yjm h LYS 45 CO 0.01 0.25 0.78 0.00 -0.57 0.00 0.00 179.45 179.92 1yjm s SER 47 N 1.19 5.35 0.41 0.00 0.15 -1.26 -4.31 113.70 115.22 1yjm s SER 47 Ca 0.44 2.27 0.13 0.00 0.70 0.00 0.00 55.95 59.49 1yjm s SER 47 Cb -0.15 -2.59 0.86 0.00 -1.71 0.00 0.00 66.02 62.43 1yjm s SER 47 CO 0.07 -1.48 1.91 0.03 1.20 0.00 0.00 173.24 174.97 1yjm h ARG 48 N 0.88 0.02 -3.01 5.44 3.08 -1.92 -1.06 114.38 117.81 1yjm h ARG 48 Ca -0.50 -0.00 -0.70 0.00 0.07 0.00 0.00 59.98 58.84 1yjm h ARG 48 Cb 1.28 -0.00 -0.35 0.00 0.08 0.00 0.00 29.97 30.97 1yjm h ARG 48 CO 0.55 0.28 -0.03 0.09 -1.07 0.00 0.00 179.97 179.80 1yjm n ASN 49 N -4.22 4.53 -0.08 7.04 5.03 -1.26 -3.98 115.26 122.32 1yjm n ASN 49 Ca -0.02 -3.25 -0.10 0.00 0.87 0.00 0.00 54.58 52.08 1yjm n ASN 49 Cb 0.32 -1.01 -0.06 0.00 -1.02 0.00 0.00 39.78 38.01 1yjm n ASN 49 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 1yjm h GLN 50 N 5.51 0.00 -4.51 3.52 1.08 -1.44 -2.85 115.11 116.43 1yjm h GLN 50 Ca 0.18 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 57.09 1yjm h GLN 50 Cb 0.74 0.00 -0.23 0.00 -0.05 0.00 0.00 27.48 27.94 1yjm h GLN 50 CO 0.94 0.44 -0.74 0.14 -0.95 0.00 0.00 178.83 178.67 1yjm s VAL 51 N -2.12 0.51 -0.19 -0.54 -7.23 -0.79 0.25 120.40 110.30 1yjm s VAL 51 Ca -0.16 -0.86 -0.02 0.00 -1.81 0.00 0.00 61.98 59.13 1yjm s VAL 51 Cb 0.02 -0.55 -0.00 0.00 0.56 0.00 0.00 36.38 36.41 1yjm s VAL 51 CO 0.35 -0.25 -0.09 -0.70 -0.31 0.00 0.00 175.10 174.10 1yjm s GLU 52 N -1.20 3.31 -0.13 4.82 2.12 0.14 -0.78 118.70 126.98 1yjm s GLU 52 Ca -0.07 -0.68 -0.04 0.00 0.36 0.00 0.00 54.97 54.55 1yjm s GLU 52 Cb -0.08 -2.84 -0.03 0.00 0.26 0.00 0.00 34.13 31.44 1yjm s GLU 52 CO 0.00 -0.10 0.01 -0.51 -0.54 0.00 0.00 175.26 174.13 1yjm s LEU 53 N 1.16 3.58 -0.18 2.70 1.02 0.81 -1.88 118.68 125.90 1yjm s LEU 53 Ca 0.01 0.07 -0.00 0.00 0.02 0.00 0.00 54.13 54.23 1yjm s LEU 53 Cb -0.14 -1.85 0.04 0.00 0.02 0.00 0.00 46.19 44.26 1yjm s LEU 53 CO -0.03 0.27 -0.05 -0.63 0.02 0.00 0.00 176.35 175.93 1yjm s ILE 54 N -0.23 1.15 0.29 -0.59 1.01 -0.33 -0.57 121.20 121.93 1yjm s ILE 54 Ca 0.06 -0.70 -0.14 0.00 0.00 0.00 0.00 60.65 59.86 1yjm s ILE 54 Cb -0.12 -1.35 -0.08 0.00 0.01 0.00 0.00 42.46 40.91 1yjm s ILE 54 CO 0.02 0.09 0.69 0.00 0.00 0.00 0.00 174.94 175.74 1yjm s ALA 55 N 1.61 3.39 -0.45 9.38 0.00 -1.26 -0.99 121.76 133.43 1yjm s ALA 55 Ca -0.00 -0.02 0.03 0.00 0.00 0.00 0.00 51.96 51.96 1yjm s ALA 55 Cb -0.16 -2.70 0.13 0.00 0.00 0.00 0.00 23.12 20.40 1yjm s ALA 55 CO -0.08 0.37 0.23 0.34 0.00 0.00 0.00 175.76 176.62 1yjm s ASP 56 N -2.23 3.91 0.43 0.00 2.15 0.36 -4.41 116.67 116.89 1yjm s ASP 56 Ca 0.51 -2.66 0.14 0.00 0.43 0.00 0.00 52.55 50.98 1yjm s ASP 56 Cb -0.11 -1.23 1.04 0.00 -0.30 0.00 0.00 42.92 42.32 1yjm s ASP 56 CO 0.18 -0.27 1.97 -0.65 -0.17 0.00 0.00 175.17 176.23 1yjm h PRO 57 N 6.78 0.39 -0.05 4.34 0.11 -1.87 0.18 132.00 141.88 1yjm h PRO 57 Ca -0.04 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.04 1yjm h PRO 57 Cb 0.93 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.95 1yjm h PRO 57 CO 0.54 0.26 -0.01 0.93 -0.21 0.00 0.00 178.00 179.52 1yjm h GLU 58 N 0.41 0.10 0.00 1.05 5.08 -1.95 -2.96 114.58 116.31 1yjm h GLU 58 Ca 0.30 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1yjm h GLU 58 Cb 0.62 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1yjm h GLU 58 CO -0.08 0.40 -0.17 -1.13 -1.00 0.00 0.00 179.01 177.03 1yjm n SER 59 N -4.86 0.18 -3.61 1.42 3.41 -1.13 -4.95 113.62 104.07 1yjm n SER 59 Ca -0.07 0.25 -0.22 0.00 -0.26 0.00 0.00 58.87 58.57 1yjm n SER 59 Cb 0.20 -0.25 0.07 0.00 -0.26 0.00 0.00 64.21 63.97 1yjm n SER 59 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1yjm n ARG 60 N -1.51 -6.59 -4.33 4.33 1.74 0.61 -5.01 116.66 105.89 1yjm n ARG 60 Ca 0.06 0.76 -0.17 0.00 -0.77 0.00 0.00 57.85 57.73 1yjm n ARG 60 Cb 0.34 -5.69 -0.10 0.00 -1.02 0.00 0.00 32.46 25.99 1yjm n ARG 60 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1yjm s THR 61 N -3.39 0.85 -0.06 0.55 -4.23 -1.02 -4.05 115.64 104.28 1yjm s THR 61 Ca 0.30 -2.01 -0.01 0.00 -1.18 0.00 0.00 61.69 58.79 1yjm s THR 61 Cb -0.14 -2.49 0.03 0.00 1.34 0.00 0.00 72.50 71.24 1yjm s THR 61 CO 0.76 -0.18 0.00 -0.69 -0.54 0.00 0.00 174.62 173.98 1yjm s VAL 62 N -3.55 0.33 -0.01 2.29 1.01 -0.66 -0.48 120.40 119.33 1yjm s VAL 62 Ca 0.32 0.14 -0.30 0.00 0.00 0.00 0.00 61.98 62.14 1yjm s VAL 62 Cb 0.07 -0.48 -0.04 0.00 0.00 0.00 0.00 36.38 35.93 1yjm s VAL 62 CO 0.11 0.24 1.10 0.00 0.00 0.00 0.00 175.10 176.55 1yjm s ALA 63 N 1.88 3.34 -0.20 5.51 0.00 -0.17 -1.46 121.76 130.66 1yjm s ALA 63 Ca 0.03 0.63 0.01 0.00 0.00 0.00 0.00 51.96 52.63 1yjm s ALA 63 Cb -0.12 -3.42 0.04 0.00 0.00 0.00 0.00 23.12 19.62 1yjm s ALA 63 CO -0.05 -0.46 -0.10 0.08 0.00 0.00 0.00 175.76 175.24 1yjm s VAL 64 N 1.42 1.63 -0.16 0.00 1.01 0.00 -1.19 120.40 123.12 1yjm s VAL 64 Ca 0.54 -1.03 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 1yjm s VAL 64 Cb -0.24 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1yjm s VAL 64 CO 0.26 0.15 0.04 -0.75 0.00 0.00 0.00 175.10 174.80 1yjm s LYS 65 N 1.40 3.76 -0.07 2.72 2.20 -0.79 -0.83 119.74 128.14 1yjm s LYS 65 Ca -0.02 -0.36 -0.27 0.00 -0.36 0.00 0.00 55.97 54.96 1yjm s LYS 65 Cb -0.16 -3.11 -0.03 0.00 -1.51 0.00 0.00 37.83 33.02 1yjm s LYS 65 CO -0.08 0.37 0.88 -1.14 -0.36 0.00 0.00 175.35 175.02 1yjm s GLN 66 N 0.09 4.46 -0.22 4.03 0.74 -0.99 -0.68 119.66 127.08 1yjm s GLN 66 Ca 0.04 1.19 0.07 0.00 0.05 0.00 0.00 55.36 56.71 1yjm s GLN 66 Cb -0.12 -3.49 -0.18 0.00 1.10 0.00 0.00 33.01 30.32 1yjm s GLN 66 CO 0.01 -0.11 -0.11 1.28 -0.55 0.00 0.00 175.29 175.80 1yjm n LEU 67 N 4.29 1.96 -4.80 3.68 4.77 0.14 -1.55 117.00 125.50 1yjm n LEU 67 Ca 0.04 -0.08 -0.30 0.00 -0.03 0.00 0.00 56.01 55.64 1yjm n LEU 67 Cb 0.50 -0.39 0.09 0.00 -2.33 0.00 0.00 43.42 41.30 1yjm n LEU 67 CO 0.50 0.74 0.71 -0.83 -1.33 0.00 0.00 177.39 177.18 1yjm s GLY 68 N -5.92 1.63 0.06 -0.72 0.00 -0.78 -4.78 107.32 96.82 1yjm s GLY 68 Ca -0.24 -0.13 -0.17 0.00 0.00 0.00 0.00 44.72 44.18 1yjm s GLY 68 CO 0.61 0.28 1.28 -0.39 0.00 0.00 0.00 173.10 174.89 1yjm h VAL 69 N -1.07 1.35 -3.92 1.40 -1.51 -1.92 -3.38 116.25 107.20 1yjm h VAL 69 Ca -0.47 -1.72 -0.46 0.00 -1.23 0.00 0.00 66.70 62.82 1yjm h VAL 69 Cb 1.26 2.03 -0.02 0.00 -2.13 0.00 0.00 31.29 32.42 1yjm h VAL 69 CO 0.58 0.52 0.26 0.20 -1.23 0.00 0.00 177.57 177.91 1yjm s ASN 70 N -6.64 6.96 0.11 4.19 0.01 -1.26 -4.66 114.94 113.65 1yjm s ASN 70 Ca -0.13 1.59 -0.30 0.00 -0.71 0.00 0.00 52.86 53.31 1yjm s ASN 70 Cb 0.06 -2.49 -0.06 0.00 0.41 0.00 0.00 41.25 39.17 1yjm s ASN 70 CO 0.83 -0.25 1.05 -2.16 -1.51 0.00 0.00 177.10 175.05 1yjm s PRO 71 N -2.89 4.60 0.28 -0.60 0.04 -1.26 -4.89 135.00 130.29 1yjm s PRO 71 Ca 0.57 1.59 0.01 0.00 0.04 0.00 0.00 61.00 63.20 1yjm s PRO 71 Cb -0.11 -3.35 -0.04 0.00 0.04 0.00 0.00 34.50 31.04 1yjm s PRO 71 CO 0.16 0.06 0.47 -1.12 0.04 0.00 0.00 177.00 176.61 1yjm s SER 72 N 0.26 6.33 -0.21 6.66 0.01 -1.26 -1.64 113.70 123.86 1yjm s SER 72 Ca 0.50 0.37 0.02 0.00 1.31 0.00 0.00 55.95 58.15 1yjm s SER 72 Cb -0.26 -2.00 0.04 0.00 0.21 0.00 0.00 66.02 64.01 1yjm s SER 72 CO 0.31 -0.18 -0.15 -0.89 0.41 0.00 0.00 173.24 172.75 1yjm s THR 73 N -2.12 1.95 -0.50 1.44 2.01 -0.48 -0.08 115.64 117.87 1yjm s THR 73 Ca 0.39 -1.14 -0.13 0.00 0.31 0.00 0.00 61.69 61.11 1yjm s THR 73 Cb -0.10 -1.92 0.12 0.00 0.01 0.00 0.00 72.50 70.60 1yjm s THR 73 CO 0.32 0.27 0.41 -0.69 -0.69 0.00 0.00 174.62 174.25 1yjm s VAL 74 N 1.27 4.75 0.00 3.82 1.01 -0.28 -1.05 120.40 129.92 1yjm s VAL 74 Ca -0.01 -1.55 0.00 0.00 0.00 0.00 0.00 61.98 60.42 1yjm s VAL 74 Cb -0.16 -4.04 0.00 0.00 0.00 0.00 0.00 36.38 32.18 1yjm s VAL 74 CO -0.09 -0.77 0.00 0.61 0.00 0.00 0.00 175.10 174.85 1yjm n GLY 75 N 5.09 4.18 0.21 4.51 0.00 -0.45 -2.69 105.19 116.04 1yjm n GLY 75 Ca -0.11 0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1yjm n GLY 75 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1yjm h VAL 76 N 0.00 0.06 -3.35 1.61 -1.51 -1.93 -3.46 116.25 107.67 1yjm h VAL 76 Ca 0.00 -1.09 -0.65 0.00 -1.23 0.00 0.00 66.70 63.74 1yjm h VAL 76 Cb 0.00 2.02 -0.20 0.00 -2.13 0.00 0.00 31.29 30.99 1yjm h VAL 76 CO 0.00 0.03 -0.66 -1.00 -1.23 0.00 0.00 177.57 174.72 1yjm s HIS 77 N -3.19 3.05 -0.20 5.19 0.09 -1.10 -5.09 115.29 114.04 1yjm s HIS 77 Ca 0.07 -0.15 -0.19 0.00 -0.00 0.00 0.00 55.06 54.79 1yjm s HIS 77 Cb 0.05 -1.90 -0.03 0.00 -0.00 0.00 0.00 32.58 30.70 1yjm s HIS 77 CO 0.68 0.11 0.53 -2.00 -0.00 0.00 0.00 174.74 174.05 1yjm s GLU 78 N 0.00 4.19 0.74 1.40 2.12 -1.26 -1.12 118.70 124.76 1yjm s GLU 78 Ca 0.01 0.42 -0.03 0.00 0.36 0.00 0.00 54.97 55.74 1yjm s GLU 78 Cb -0.13 -3.57 0.12 0.00 0.26 0.00 0.00 34.13 30.82 1yjm s GLU 78 CO 0.02 -0.16 1.02 -0.51 -0.54 0.00 0.00 175.26 175.09 1yjm s LEU 79 N 1.67 2.95 0.32 2.70 1.43 0.89 -4.99 118.68 123.66 1yjm s LEU 79 Ca 0.24 -0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.20 1yjm s LEU 79 Cb -0.15 -2.20 -0.05 0.00 0.03 0.00 0.00 46.19 43.81 1yjm s LEU 79 CO 0.10 -1.89 0.08 -0.54 0.23 0.00 0.00 176.35 174.32 1yjm s LYS 80 N -5.22 1.64 0.04 1.70 1.02 -1.26 -4.29 119.74 113.38 1yjm s LYS 80 Ca 0.66 -1.93 -0.30 0.00 0.02 0.00 0.00 55.97 54.42 1yjm s LYS 80 Cb -0.06 -0.68 -0.08 0.00 -0.52 0.00 0.00 37.83 36.48 1yjm s LYS 80 CO 0.45 -0.26 1.85 -2.14 -0.92 0.00 0.00 175.35 174.33 1yjm s PRO 81 N -3.89 4.15 0.00 -1.68 0.02 -1.26 -2.02 135.00 130.32 1yjm s PRO 81 Ca 0.35 2.50 0.00 0.00 0.02 0.00 0.00 61.00 63.87 1yjm s PRO 81 Cb 0.07 -3.96 0.00 0.00 0.02 0.00 0.00 34.50 30.63 1yjm s PRO 81 CO 0.15 -0.89 0.00 0.41 -0.33 0.00 0.00 177.00 176.34 1yjm n GLY 82 N 4.35 0.79 3.89 0.52 0.00 -0.60 -5.04 105.19 109.10 1yjm n GLY 82 Ca 0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1yjm n GLY 82 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yjm s LEU 83 N 0.00 3.99 0.24 0.99 1.43 -0.86 -4.86 118.68 119.61 1yjm s LEU 83 Ca 0.00 0.86 0.10 0.00 -1.03 0.00 0.00 54.13 54.06 1yjm s LEU 83 Cb 0.00 -3.70 -0.04 0.00 0.03 0.00 0.00 46.19 42.48 1yjm s LEU 83 CO 0.00 -0.26 -0.08 -0.44 0.23 0.00 0.00 176.35 175.80 1yjm s SER 84 N -3.13 4.20 0.20 2.29 0.01 -1.26 -2.36 113.70 113.65 1yjm s SER 84 Ca 0.46 -0.72 -0.07 0.00 1.31 0.00 0.00 55.95 56.93 1yjm s SER 84 Cb -0.11 -0.66 -0.02 0.00 0.21 0.00 0.00 66.02 65.44 1yjm s SER 84 CO 0.30 0.04 0.28 -0.83 0.41 0.00 0.00 173.24 173.44 1yjm s GLY 85 N -3.35 0.87 -0.06 3.44 0.00 -0.01 -5.01 107.32 103.21 1yjm s GLY 85 Ca 0.29 -1.21 0.04 0.00 0.00 0.00 0.00 44.72 43.84 1yjm s GLY 85 CO 0.17 -1.00 -0.16 -0.45 0.00 0.00 0.00 173.10 171.66 1yjm s SER 86 N -3.06 2.12 -0.19 1.64 0.15 -1.26 -0.82 113.70 112.28 1yjm s SER 86 Ca 0.27 -0.36 -0.09 0.00 0.70 0.00 0.00 55.95 56.47 1yjm s SER 86 Cb 0.04 -0.76 -0.05 0.00 -1.71 0.00 0.00 66.02 63.54 1yjm s SER 86 CO 0.07 0.11 0.12 -0.76 1.20 0.00 0.00 173.24 173.99 1yjm s LEU 87 N 0.27 4.15 0.46 3.45 1.43 -0.54 -4.78 118.68 123.12 1yjm s LEU 87 Ca -0.09 0.21 0.08 0.00 -1.03 0.00 0.00 54.13 53.30 1yjm s LEU 87 Cb -0.13 -2.07 0.01 0.00 0.03 0.00 0.00 46.19 44.02 1yjm s LEU 87 CO 0.03 0.18 0.47 -0.44 0.23 0.00 0.00 176.35 176.83 1yjm s SER 88 N 0.33 5.12 0.20 2.29 0.01 -1.26 -1.65 113.70 118.72 1yjm s SER 88 Ca 0.07 -0.77 -0.32 0.00 1.31 0.00 0.00 55.95 56.25 1yjm s SER 88 Cb -0.11 -0.33 -0.12 0.00 0.21 0.00 0.00 66.02 65.67 1yjm s SER 88 CO -0.02 -0.83 1.74 -0.76 0.41 0.00 0.00 173.24 173.78 1yjm s LEU 89 N -4.26 4.37 0.00 2.44 1.43 -1.26 -1.64 118.68 119.76 1yjm s LEU 89 Ca 0.49 2.85 0.00 0.00 -1.03 0.00 0.00 54.13 56.44 1yjm s LEU 89 Cb -0.05 -3.59 0.00 0.00 0.03 0.00 0.00 46.19 42.58 1yjm s LEU 89 CO 0.29 -0.97 0.00 0.61 0.23 0.00 0.00 176.35 176.51 1yjm n GLY 90 N 4.01 1.76 3.80 -3.19 0.00 -0.19 -5.01 105.19 106.38 1yjm n GLY 90 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1yjm n GLY 90 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1yjm s ASP 91 N -2.22 6.65 -0.12 1.61 1.01 -0.65 -4.77 116.67 118.18 1yjm s ASP 91 Ca 0.00 1.85 -0.02 0.00 0.71 0.00 0.00 52.55 55.09 1yjm s ASP 91 Cb 0.00 -2.56 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 1yjm s ASP 91 CO 0.00 -0.56 -0.05 -0.69 0.21 0.00 0.00 175.17 174.08 1yjm s VAL 92 N -1.99 3.81 -0.26 -1.27 1.01 -1.26 -2.08 120.40 118.36 1yjm s VAL 92 Ca 0.63 -0.41 -0.08 0.00 0.00 0.00 0.00 61.98 62.13 1yjm s VAL 92 Cb -0.15 -2.63 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 1yjm s VAL 92 CO 0.19 0.53 0.08 -0.22 0.00 0.00 0.00 175.10 175.68 1yjm s LEU 93 N -0.06 3.57 -0.26 3.92 2.96 0.41 -1.34 118.68 127.89 1yjm s LEU 93 Ca 0.01 -0.30 -0.13 0.00 -0.22 0.00 0.00 54.13 53.49 1yjm s LEU 93 Cb -0.13 -1.93 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 1yjm s LEU 93 CO 0.03 -0.07 0.29 -0.31 -1.32 0.00 0.00 176.35 174.96 1yjm s TYR 94 N 1.60 3.27 0.20 5.38 1.51 -0.21 0.13 117.35 129.22 1yjm s TYR 94 Ca 0.06 0.32 -0.09 0.00 -1.01 0.00 0.00 57.07 56.35 1yjm s TYR 94 Cb -0.16 -2.46 0.13 0.00 -0.11 0.00 0.00 41.96 39.36 1yjm s TYR 94 CO 0.04 -0.13 1.76 -0.07 -1.11 0.00 0.00 175.55 176.04 1yjm h LEU 95 N 8.21 1.02 -7.10 -1.29 3.38 -0.97 -1.27 115.31 117.29 1yjm h LEU 95 Ca -0.34 -0.18 -0.07 0.00 0.09 0.00 0.00 57.88 57.38 1yjm h LEU 95 Cb 1.17 -0.26 -0.22 0.00 0.09 0.00 0.00 40.66 41.44 1yjm h LEU 95 CO 0.63 0.92 0.02 0.54 0.09 0.00 0.00 178.44 180.64 1yjm s VAL 96 N -5.52 0.00 -1.41 1.22 0.11 -1.17 -4.20 120.40 109.43 1yjm s VAL 96 Ca -0.12 -0.01 -0.09 0.00 -2.93 0.00 0.00 61.98 58.82 1yjm s VAL 96 Cb 0.15 -0.87 0.06 0.00 -1.53 0.00 0.00 36.38 34.18 1yjm s VAL 96 CO 0.83 -0.00 0.63 0.59 -3.33 0.00 0.00 175.10 173.81 1yjm n ASN 97 N 2.61 -4.53 -1.01 3.54 3.02 -0.65 -1.07 115.26 117.17 1yjm n ASN 97 Ca -0.14 -0.45 -0.11 0.00 -0.03 0.00 0.00 54.58 53.84 1yjm n ASN 97 Cb 0.56 -3.69 -0.04 0.00 -0.61 0.00 0.00 39.78 36.00 1yjm n ASN 97 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1yjm n GLY 98 N -1.37 0.84 3.35 7.41 0.00 -1.26 -5.02 105.19 109.14 1yjm n GLY 98 Ca -0.02 -0.47 -0.18 0.00 0.00 0.00 0.00 46.02 45.34 1yjm n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1yjm s LEU 99 N -2.80 2.48 -0.51 0.99 1.43 -0.23 -4.94 118.68 115.09 1yjm s LEU 99 Ca 0.00 -1.09 -0.00 0.00 -1.03 0.00 0.00 54.13 52.01 1yjm s LEU 99 Cb 0.00 -0.55 -0.00 0.00 0.03 0.00 0.00 46.19 45.67 1yjm s LEU 99 CO 0.00 -0.29 0.48 -1.22 0.23 0.00 0.00 176.35 175.54 1yjm n TYR 100 N -0.41 -1.97 -2.65 0.29 4.02 -1.26 -1.95 117.16 113.23 1yjm n TYR 100 Ca -0.07 0.75 -0.35 0.00 -0.01 0.00 0.00 57.90 58.21 1yjm n TYR 100 Cb 0.62 -3.27 -0.05 0.00 -0.02 0.00 0.00 39.34 36.62 1yjm n TYR 100 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1yjm s PRO 101 N -3.06 4.18 -0.05 -0.72 0.04 -1.26 -2.31 135.00 131.81 1yjm s PRO 101 Ca 0.02 1.36 -0.01 0.00 0.04 0.00 0.00 61.00 62.41 1yjm s PRO 101 Cb -0.00 -2.41 0.03 0.00 0.04 0.00 0.00 34.50 32.16 1yjm s PRO 101 CO 0.50 -0.10 0.03 -0.51 0.04 0.00 0.00 177.00 176.95 1yjm s LEU 102 N -2.84 0.52 -0.22 -3.56 1.43 0.12 -4.48 118.68 109.65 1yjm s LEU 102 Ca 0.59 -0.01 -0.09 0.00 -1.03 0.00 0.00 54.13 53.60 1yjm s LEU 102 Cb -0.17 -0.28 -0.04 0.00 0.03 0.00 0.00 46.19 45.73 1yjm s LEU 102 CO 0.22 -0.20 0.11 -0.89 0.23 0.00 0.00 176.35 175.82 1yjm s THR 103 N 1.87 5.04 0.04 5.49 2.01 -0.25 -0.45 115.64 129.39 1yjm s THR 103 Ca 0.02 0.06 -0.30 0.00 0.31 0.00 0.00 61.69 61.78 1yjm s THR 103 Cb -0.12 -3.32 -0.06 0.00 0.01 0.00 0.00 72.50 69.01 1yjm s THR 103 CO -0.04 0.39 1.28 -0.22 -0.69 0.00 0.00 174.62 175.35 1yjm s LEU 104 N 0.83 4.34 0.26 4.42 2.96 -0.88 -0.40 118.68 130.20 1yjm s LEU 104 Ca 0.06 2.06 0.04 0.00 -0.22 0.00 0.00 54.13 56.07 1yjm s LEU 104 Cb -0.13 -3.57 -0.06 0.00 0.50 0.00 0.00 46.19 42.93 1yjm s LEU 104 CO 0.02 -0.58 0.01 -0.13 -1.32 0.00 0.00 176.35 174.35 1yjm s ARG 105 N 1.58 1.45 -0.15 1.98 1.81 0.68 -1.02 118.95 125.28 1yjm s ARG 105 Ca 0.60 -1.75 0.01 0.00 -1.72 0.00 0.00 55.73 52.87 1yjm s ARG 105 Cb -0.30 -0.73 0.02 0.00 -0.45 0.00 0.00 34.95 33.48 1yjm s ARG 105 CO 0.27 -0.11 -0.15 -0.46 -0.68 0.00 0.00 175.30 174.17 1yjm s TRP 106 N -3.35 2.23 -2.15 -0.53 -0.11 -1.26 -1.77 118.94 111.98 1yjm s TRP 106 Ca 0.31 -1.23 0.31 0.00 1.22 0.00 0.00 56.10 56.71 1yjm s TRP 106 Cb 0.06 -1.61 1.64 0.00 -1.50 0.00 0.00 33.47 32.06 1yjm s TRP 106 CO 0.11 -0.65 2.08 -1.91 -4.62 0.00 0.00 176.95 171.96