#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y6n n THR 3 N 0.00 0.00 -3.27 2.61 -1.04 -1.26 -4.85 114.28 106.47 1y6n n THR 3 Ca 0.00 1.07 -0.21 0.00 -2.04 0.00 0.00 64.05 62.87 1y6n n THR 3 Cb 0.00 -2.02 0.00 0.00 -1.82 0.00 0.00 70.33 66.49 1y6n n THR 3 CO 0.00 0.00 0.00 -1.83 -0.64 0.00 0.00 175.07 172.60 1y6n s GLU 4 N -1.48 3.11 0.25 -2.82 -1.05 -1.26 -5.09 118.70 110.37 1y6n s GLU 4 Ca 0.00 -0.76 -0.30 0.00 -0.15 0.00 0.00 54.97 53.77 1y6n s GLU 4 Cb 0.00 -2.70 -0.09 0.00 -0.44 0.00 0.00 34.13 30.89 1y6n s GLU 4 CO 0.00 -0.07 0.96 -1.17 0.95 0.00 0.00 175.26 175.93 1y6n s LEU 5 N -4.34 4.61 0.85 1.83 2.96 -1.26 -5.05 118.68 118.28 1y6n s LEU 5 Ca 0.46 1.98 -0.11 0.00 -0.22 0.00 0.00 54.13 56.24 1y6n s LEU 5 Cb -0.10 -3.65 0.10 0.00 0.50 0.00 0.00 46.19 43.05 1y6n s LEU 5 CO 0.34 0.10 1.09 -2.84 -1.32 0.00 0.00 176.35 173.72 1y6n s PRO 6 N -1.30 1.63 0.18 0.98 0.02 -1.26 -4.18 135.00 131.07 1y6n s PRO 6 Ca 0.42 0.98 0.04 0.00 0.02 0.00 0.00 61.00 62.46 1y6n s PRO 6 Cb -0.26 -1.84 -0.03 0.00 0.02 0.00 0.00 34.50 32.38 1y6n s PRO 6 CO 0.33 -2.02 0.25 -1.54 -0.33 0.00 0.00 177.00 173.68 1y6n s SER 7 N -3.38 6.07 0.17 2.53 1.04 -1.26 -4.51 113.70 114.36 1y6n s SER 7 Ca 0.63 0.05 -0.32 0.00 0.48 0.00 0.00 55.95 56.79 1y6n s SER 7 Cb -0.18 -1.75 -0.11 0.00 0.10 0.00 0.00 66.02 64.08 1y6n s SER 7 CO 0.57 0.03 1.70 -2.84 0.98 0.00 0.00 173.24 173.68 1y6n s PRO 8 N -3.37 4.15 0.15 4.02 0.02 -1.26 -4.70 135.00 134.01 1y6n s PRO 8 Ca 0.33 2.53 -0.20 0.00 0.02 0.00 0.00 61.00 63.68 1y6n s PRO 8 Cb -0.10 -3.25 0.04 0.00 0.02 0.00 0.00 34.50 31.20 1y6n s PRO 8 CO 0.27 -0.74 1.66 -1.35 -0.33 0.00 0.00 177.00 176.51 1y6n h PRO 9 N 7.32 -0.14 -4.81 5.54 0.11 -1.80 -3.45 132.00 134.77 1y6n h PRO 9 Ca -0.44 0.01 -0.27 0.00 0.11 0.00 0.00 66.00 65.41 1y6n h PRO 9 Cb 1.21 0.03 -0.16 0.00 0.11 0.00 0.00 31.00 32.19 1y6n h PRO 9 CO 0.94 -0.09 -0.71 -1.54 -0.21 0.00 0.00 178.00 176.39 1y6n s SER 10 N -5.11 1.33 -0.10 -2.05 1.04 -1.26 -5.01 113.70 102.54 1y6n s SER 10 Ca -0.14 -0.93 -0.04 0.00 0.48 0.00 0.00 55.95 55.32 1y6n s SER 10 Cb 0.12 0.05 0.05 0.00 0.10 0.00 0.00 66.02 66.35 1y6n s SER 10 CO 0.69 -0.37 0.19 -0.69 0.98 0.00 0.00 173.24 174.04 1y6n s VAL 11 N -3.10 -0.31 0.14 5.02 1.01 -1.26 -2.39 120.40 119.51 1y6n s VAL 11 Ca 0.10 0.31 -0.11 0.00 0.00 0.00 0.00 61.98 62.27 1y6n s VAL 11 Cb 0.02 -0.36 0.01 0.00 0.00 0.00 0.00 36.38 36.04 1y6n s VAL 11 CO -0.02 0.12 0.32 -1.66 0.00 0.00 0.00 175.10 173.85 1y6n s TRP 12 N 2.33 0.15 0.18 5.22 -2.14 -0.17 -4.03 118.94 120.47 1y6n s TRP 12 Ca 0.03 -0.52 0.03 0.00 2.66 0.00 0.00 56.10 58.30 1y6n s TRP 12 Cb -0.12 0.07 -0.03 0.00 -3.10 0.00 0.00 33.47 30.28 1y6n s TRP 12 CO -0.07 -0.70 0.31 -0.06 -2.66 0.00 0.00 176.95 173.77 1y6n s PHE 13 N -3.90 3.48 -0.30 1.66 0.40 -1.26 0.13 117.98 118.19 1y6n s PHE 13 Ca 0.10 0.09 -0.01 0.00 -0.60 0.00 0.00 56.93 56.52 1y6n s PHE 13 Cb 0.03 -1.65 0.13 0.00 0.51 0.00 0.00 43.02 42.04 1y6n s PHE 13 CO -0.05 0.49 0.28 -1.21 0.70 0.00 0.00 175.22 175.42 1y6n s GLU 14 N -3.44 0.33 0.11 0.44 2.02 -0.33 -4.93 118.70 112.92 1y6n s GLU 14 Ca 0.35 -0.27 0.08 0.00 0.02 0.00 0.00 54.97 55.15 1y6n s GLU 14 Cb -0.10 -0.74 -0.04 0.00 0.10 0.00 0.00 34.13 33.35 1y6n s GLU 14 CO 0.29 -1.05 -0.20 0.00 0.02 0.00 0.00 175.26 174.32 1y6n s ALA 15 N 2.23 1.81 0.51 5.21 0.00 -1.26 -2.76 121.76 127.51 1y6n s ALA 15 Ca 0.10 -1.28 0.01 0.00 0.00 0.00 0.00 51.96 50.79 1y6n s ALA 15 Cb -0.14 -0.23 0.01 0.00 0.00 0.00 0.00 23.12 22.76 1y6n s ALA 15 CO -0.31 0.33 0.10 0.39 0.00 0.00 0.00 175.76 176.27 1y6n n GLU 16 N 0.95 0.76 -1.71 0.00 -0.58 -0.88 -0.30 120.64 118.88 1y6n n GLU 16 Ca -0.18 -3.59 -0.39 0.00 -0.42 0.00 0.00 57.16 52.57 1y6n n GLU 16 Cb 0.54 0.83 -0.03 0.00 -0.57 0.00 0.00 31.44 32.21 1y6n n GLU 16 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 1y6n s PHE 17 N -2.78 1.29 -0.99 -0.32 5.36 -1.26 -2.11 117.98 117.17 1y6n s PHE 17 Ca 0.08 1.04 -0.00 0.00 -0.96 0.00 0.00 56.93 57.09 1y6n s PHE 17 Cb -0.01 -3.83 0.00 0.00 -0.34 0.00 0.00 43.02 38.85 1y6n s PHE 17 CO 0.05 -2.97 0.82 1.19 -1.46 0.00 0.00 175.22 172.85 1y6n n PHE 18 N 13.54 -1.81 -2.87 10.12 3.01 -1.26 -4.68 117.46 133.51 1y6n n PHE 18 Ca 0.30 0.77 -0.12 0.00 1.01 0.00 0.00 57.45 59.41 1y6n n PHE 18 Cb 0.51 -4.54 0.03 0.00 -0.01 0.00 0.00 39.48 35.47 1y6n n PHE 18 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 1y6n n HIS 19 N -3.58 -2.35 -2.92 1.38 -0.00 -0.90 -4.88 115.22 101.96 1y6n n HIS 19 Ca -0.24 -2.37 -0.44 0.00 0.46 0.00 0.00 57.72 55.13 1y6n n HIS 19 Cb 0.64 1.03 -0.02 0.00 -0.12 0.00 0.00 29.99 31.52 1y6n n HIS 19 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 1y6n s HIS 20 N -0.04 3.24 -0.18 1.57 3.76 -1.26 -2.08 115.29 120.30 1y6n s HIS 20 Ca 0.31 -1.66 -0.13 0.00 -0.15 0.00 0.00 55.06 53.44 1y6n s HIS 20 Cb 0.24 -4.31 -0.05 0.00 1.11 0.00 0.00 32.58 29.58 1y6n s HIS 20 CO -0.16 -1.47 0.27 0.42 -0.85 0.00 0.00 174.74 172.94 1y6n s ILE 21 N 2.35 5.31 0.18 0.60 1.09 -1.11 -1.07 121.20 128.55 1y6n s ILE 21 Ca 0.37 0.47 -0.11 0.00 -1.10 0.00 0.00 60.65 60.28 1y6n s ILE 21 Cb -0.04 -3.61 -0.07 0.00 -1.06 0.00 0.00 42.46 37.69 1y6n s ILE 21 CO -0.06 0.37 0.53 -0.22 -0.10 0.00 0.00 174.94 175.47 1y6n s LEU 22 N 0.65 4.25 0.10 2.97 2.96 0.24 -1.18 118.68 128.67 1y6n s LEU 22 Ca 0.14 0.96 0.02 0.00 -0.22 0.00 0.00 54.13 55.03 1y6n s LEU 22 Cb -0.13 -3.46 -0.04 0.00 0.50 0.00 0.00 46.19 43.06 1y6n s LEU 22 CO 0.04 0.02 -0.07 -1.00 -1.32 0.00 0.00 176.35 174.02 1y6n s HIS 23 N -1.65 0.88 0.05 5.38 3.76 0.12 -1.13 115.29 122.71 1y6n s HIS 23 Ca 0.42 -0.91 -0.27 0.00 -0.15 0.00 0.00 55.06 54.16 1y6n s HIS 23 Cb -0.13 -0.51 0.08 0.00 1.11 0.00 0.00 32.58 33.13 1y6n s HIS 23 CO 0.20 -0.15 0.71 1.67 -0.85 0.00 0.00 174.74 176.32 1y6n s TRP 24 N -3.58 -0.52 -0.08 1.40 -2.14 -1.08 -1.00 118.94 111.95 1y6n s TRP 24 Ca 0.11 0.52 -0.11 0.00 2.66 0.00 0.00 56.10 59.28 1y6n s TRP 24 Cb 0.05 0.51 -0.05 0.00 -3.10 0.00 0.00 33.47 30.88 1y6n s TRP 24 CO -0.05 -0.69 0.27 0.95 -2.66 0.00 0.00 176.95 174.77 1y6n s THR 25 N -2.82 5.28 0.73 0.66 -4.23 -1.00 -4.79 115.64 109.46 1y6n s THR 25 Ca -0.01 0.52 -0.14 0.00 -1.18 0.00 0.00 61.69 60.88 1y6n s THR 25 Cb -0.01 -3.56 0.04 0.00 1.34 0.00 0.00 72.50 70.31 1y6n s THR 25 CO -0.06 0.57 1.17 -2.16 -0.54 0.00 0.00 174.62 173.60 1y6n s PRO 26 N -0.81 2.20 0.69 3.99 0.04 -1.26 -3.63 135.00 136.23 1y6n s PRO 26 Ca 0.19 1.61 -0.11 0.00 0.04 0.00 0.00 61.00 62.73 1y6n s PRO 26 Cb -0.14 -1.86 0.01 0.00 0.04 0.00 0.00 34.50 32.55 1y6n s PRO 26 CO 0.08 -1.76 1.06 0.96 0.04 0.00 0.00 177.00 177.38 1y6n s ILE 27 N -2.19 4.01 0.42 0.56 -4.36 -1.26 -4.57 121.20 113.80 1y6n s ILE 27 Ca 0.71 0.65 -0.22 0.00 -0.26 0.00 0.00 60.65 61.53 1y6n s ILE 27 Cb -0.26 -3.49 -0.10 0.00 1.25 0.00 0.00 42.46 39.87 1y6n s ILE 27 CO 0.46 -0.85 0.99 -2.16 0.24 0.00 0.00 174.94 173.62 1y6n s PRO 28 N -5.13 4.18 -1.59 0.37 0.04 -1.26 -3.70 135.00 127.90 1y6n s PRO 28 Ca 0.58 1.29 -0.03 0.00 0.04 0.00 0.00 61.00 62.87 1y6n s PRO 28 Cb -0.13 -2.34 0.00 0.00 0.04 0.00 0.00 34.50 32.07 1y6n s PRO 28 CO 0.54 -0.09 0.45 1.04 0.04 0.00 0.00 177.00 178.98 1y6n n GLN 29 N -0.39 -4.04 -1.92 4.56 1.13 -1.26 -4.90 117.38 110.56 1y6n n GLN 29 Ca 0.06 0.93 -0.42 0.00 -1.94 0.00 0.00 57.00 55.63 1y6n n GLN 29 Cb 0.52 -5.71 -0.03 0.00 0.11 0.00 0.00 30.24 25.14 1y6n n GLN 29 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 1y6n s GLN 30 N -5.52 4.18 0.75 -1.09 0.74 -1.24 -4.99 119.66 112.49 1y6n s GLN 30 Ca 0.22 2.31 -0.11 0.00 0.05 0.00 0.00 55.36 57.83 1y6n s GLN 30 Cb -0.10 -3.96 0.04 0.00 1.10 0.00 0.00 33.01 30.10 1y6n s GLN 30 CO 0.28 -0.85 1.08 -1.54 -0.55 0.00 0.00 175.29 173.71 1y6n s SER 31 N 3.41 4.90 0.26 6.67 1.04 -1.26 -4.95 113.70 123.77 1y6n s SER 31 Ca 0.77 1.49 -0.04 0.00 0.48 0.00 0.00 55.95 58.65 1y6n s SER 31 Cb -0.36 -2.29 0.32 0.00 0.10 0.00 0.00 66.02 63.79 1y6n s SER 31 CO 0.33 -1.73 1.85 -0.08 0.98 0.00 0.00 173.24 174.58 1y6n h GLU 32 N -0.92 1.04 0.00 4.02 4.81 -2.03 -2.55 114.58 118.94 1y6n h GLU 32 Ca -0.45 -0.16 0.00 0.00 -0.13 0.00 0.00 59.36 58.62 1y6n h GLU 32 Cb 1.24 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.44 1y6n h GLU 32 CO 0.58 0.82 0.00 -1.13 -0.73 0.00 0.00 179.01 178.55 1y6n n SER 33 N -4.31 0.00 -4.88 1.04 3.41 -1.26 -4.78 113.62 102.84 1y6n n SER 33 Ca 0.07 -0.63 -0.36 0.00 -0.26 0.00 0.00 58.87 57.69 1y6n n SER 33 Cb 0.16 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.05 1y6n n SER 33 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1y6n s THR 34 N -2.00 5.36 0.28 6.66 2.01 -0.96 -4.57 115.64 122.42 1y6n s THR 34 Ca 0.15 0.24 0.06 0.00 0.31 0.00 0.00 61.69 62.45 1y6n s THR 34 Cb 0.07 -3.52 -0.02 0.00 0.01 0.00 0.00 72.50 69.03 1y6n s THR 34 CO 0.11 0.49 0.23 0.00 -0.69 0.00 0.00 174.62 174.76 1y6n s TYR 36 N -3.13 2.07 -0.23 0.00 2.02 -0.60 0.31 117.35 117.79 1y6n s TYR 36 Ca 0.33 -0.40 -0.06 0.00 -0.37 0.00 0.00 57.07 56.57 1y6n s TYR 36 Cb 0.02 -1.17 -0.03 0.00 -0.40 0.00 0.00 41.96 40.38 1y6n s TYR 36 CO 0.23 0.20 0.04 -2.00 -1.57 0.00 0.00 175.55 172.46 1y6n s GLU 37 N -1.65 3.65 -0.15 -0.62 2.12 0.15 -0.84 118.70 121.36 1y6n s GLU 37 Ca 0.10 -0.49 -0.06 0.00 0.36 0.00 0.00 54.97 54.88 1y6n s GLU 37 Cb -0.10 -3.23 -0.04 0.00 0.26 0.00 0.00 34.13 31.02 1y6n s GLU 37 CO 0.04 -0.11 0.08 0.08 -0.54 0.00 0.00 175.26 174.81 1y6n s VAL 38 N 1.36 4.95 0.01 3.70 1.01 -0.80 -2.37 120.40 128.26 1y6n s VAL 38 Ca 0.05 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.07 1y6n s VAL 38 Cb -0.15 -3.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.04 1y6n s VAL 38 CO 0.02 0.54 -0.10 0.00 0.00 0.00 0.00 175.10 175.56 1y6n s ALA 39 N -0.30 0.86 -0.02 5.51 0.00 -0.57 0.00 121.76 127.24 1y6n s ALA 39 Ca 0.09 -0.55 0.03 0.00 0.00 0.00 0.00 51.96 51.52 1y6n s ALA 39 Cb -0.12 -0.17 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 1y6n s ALA 39 CO 0.01 0.18 -0.07 -1.17 0.00 0.00 0.00 175.76 174.71 1y6n s LEU 40 N -0.60 3.14 -0.08 0.00 2.96 0.13 -1.76 118.68 122.48 1y6n s LEU 40 Ca 0.02 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.83 1y6n s LEU 40 Cb -0.05 -1.76 0.02 0.00 0.50 0.00 0.00 46.19 44.89 1y6n s LEU 40 CO 0.00 0.31 -0.10 -0.22 -1.32 0.00 0.00 176.35 175.02 1y6n s LEU 41 N -1.19 1.49 -0.18 -0.68 1.98 0.11 -1.03 118.68 119.19 1y6n s LEU 41 Ca 0.15 -0.29 -0.15 0.00 -2.89 0.00 0.00 54.13 50.95 1y6n s LEU 41 Cb -0.11 -0.81 -0.04 0.00 0.66 0.00 0.00 46.19 45.89 1y6n s LEU 41 CO 0.05 -0.02 0.35 -0.60 -1.89 0.00 0.00 176.35 174.24 1y6n s ARG 42 N 0.99 4.22 -0.04 1.98 6.06 -1.26 0.22 118.95 131.11 1y6n s ARG 42 Ca -0.09 0.15 -0.30 0.00 -2.50 0.00 0.00 55.73 53.00 1y6n s ARG 42 Cb -0.15 -3.49 -0.06 0.00 0.06 0.00 0.00 34.95 31.32 1y6n s ARG 42 CO -0.00 0.09 1.70 -0.47 -2.50 0.00 0.00 175.30 174.12 1y6n s TYR 43 N 0.91 1.88 0.00 5.12 5.04 -0.31 -2.22 117.35 127.77 1y6n s TYR 43 Ca 0.18 0.11 0.00 0.00 -2.44 0.00 0.00 57.07 54.91 1y6n s TYR 43 Cb -0.14 -3.96 0.00 0.00 0.35 0.00 0.00 41.96 38.21 1y6n s TYR 43 CO 0.06 -4.08 0.00 0.41 -1.34 0.00 0.00 175.55 170.60 1y6n n GLY 44 N 4.20 1.36 2.86 8.97 0.00 -1.26 -4.73 105.19 116.59 1y6n n GLY 44 Ca 0.18 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.08 1y6n n GLY 44 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y6n s ILE 45 N -2.00 -0.52 -1.02 -0.61 1.01 -0.94 -5.08 121.20 112.04 1y6n s ILE 45 Ca 0.00 -0.13 -0.23 0.00 0.00 0.00 0.00 60.65 60.28 1y6n s ILE 45 Cb 0.00 -0.81 0.01 0.00 0.01 0.00 0.00 42.46 41.67 1y6n s ILE 45 CO 0.00 -0.19 1.67 -1.61 0.00 0.00 0.00 174.94 174.82 1y6n s GLU 46 N 2.48 3.21 0.00 2.79 8.01 -1.26 -4.49 118.70 129.43 1y6n s GLU 46 Ca 0.11 -0.93 0.00 0.00 0.01 0.00 0.00 54.97 54.16 1y6n s GLU 46 Cb -0.15 -5.27 0.00 0.00 -4.31 0.00 0.00 34.13 24.40 1y6n s GLU 46 CO -0.17 -2.71 0.00 -1.13 0.01 0.00 0.00 175.26 171.25 1y6n n SER 47 N 10.89 0.00 -4.88 -0.19 3.41 -1.26 -5.17 113.62 116.41 1y6n n SER 47 Ca 0.38 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.69 1y6n n SER 47 Cb 0.49 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.43 1y6n n SER 47 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1y6n s TRP 48 N 0.00 3.53 -0.07 7.33 0.52 -1.26 -4.61 118.94 124.39 1y6n s TRP 48 Ca 0.00 1.02 -0.01 0.00 0.02 0.00 0.00 56.10 57.13 1y6n s TRP 48 Cb 0.00 -2.46 0.03 0.00 -1.15 0.00 0.00 33.47 29.89 1y6n s TRP 48 CO 0.00 -0.30 0.00 -0.80 0.02 0.00 0.00 176.95 175.88 1y6n s ASN 49 N -3.71 1.44 0.13 2.95 0.01 -0.19 -4.95 114.94 110.62 1y6n s ASN 49 Ca 0.51 -0.07 -0.31 0.00 -0.71 0.00 0.00 52.86 52.27 1y6n s ASN 49 Cb -0.10 -0.41 -0.08 0.00 0.41 0.00 0.00 41.25 41.06 1y6n s ASN 49 CO 0.41 -0.18 1.39 -0.55 -1.51 0.00 0.00 177.10 176.66 1y6n s SER 50 N 1.84 6.82 -0.22 -1.22 0.15 -1.26 0.22 113.70 120.03 1y6n s SER 50 Ca 0.03 2.36 0.05 0.00 0.70 0.00 0.00 55.95 59.09 1y6n s SER 50 Cb -0.12 -2.59 -0.17 0.00 -1.71 0.00 0.00 66.02 61.43 1y6n s SER 50 CO -0.04 -0.65 -0.15 -0.38 1.20 0.00 0.00 173.24 173.22 1y6n n ILE 51 N 3.75 1.31 -3.70 6.45 2.08 0.10 -4.90 119.36 124.44 1y6n n ILE 51 Ca 0.11 -0.56 -0.18 0.00 0.56 0.00 0.00 62.75 62.67 1y6n n ILE 51 Cb 0.42 -1.15 -0.17 0.00 -0.75 0.00 0.00 39.64 37.99 1y6n n ILE 51 CO 0.00 0.00 0.00 -0.55 0.56 0.00 0.00 176.55 176.56 1y6n s SER 52 N -6.03 0.78 0.31 4.38 0.15 -1.08 -4.99 113.70 107.22 1y6n s SER 52 Ca -0.26 0.07 0.10 0.00 0.70 0.00 0.00 55.95 56.56 1y6n s SER 52 Cb 0.07 -0.11 0.49 0.00 -1.71 0.00 0.00 66.02 64.76 1y6n s SER 52 CO 0.58 -0.21 1.69 1.56 1.20 0.00 0.00 173.24 178.06 1y6n h GLN 53 N 8.06 0.06 -2.22 5.44 1.08 -1.87 -2.12 115.11 123.55 1y6n h GLN 53 Ca -0.23 -0.03 -0.02 0.00 -1.45 0.00 0.00 58.65 56.91 1y6n h GLN 53 Cb 1.12 0.00 -0.23 0.00 -0.05 0.00 0.00 27.48 28.32 1y6n h GLN 53 CO 0.26 0.55 -0.10 0.00 -0.95 0.00 0.00 178.83 178.59 1y6n s SER 55 N 1.65 1.57 -1.17 0.00 0.15 -0.02 -4.88 113.70 111.00 1y6n s SER 55 Ca -0.09 -0.15 -0.05 0.00 0.70 0.00 0.00 55.95 56.36 1y6n s SER 55 Cb -0.07 -0.23 0.24 0.00 -1.71 0.00 0.00 66.02 64.25 1y6n s SER 55 CO -0.18 -0.27 1.88 0.00 1.20 0.00 0.00 173.24 175.88 1y6n n GLN 56 N 5.26 4.60 -2.37 5.44 6.02 -1.26 -1.55 117.38 133.51 1y6n n GLN 56 Ca -0.05 -4.10 -0.05 0.00 -0.01 0.00 0.00 57.00 52.79 1y6n n GLN 56 Cb 0.50 -2.62 -0.01 0.00 1.02 0.00 0.00 30.24 29.13 1y6n n GLN 56 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1y6n n THR 57 N 1.46 0.00 -1.69 5.09 -2.24 -1.26 -5.06 114.28 110.59 1y6n n THR 57 Ca 0.43 -0.59 0.06 0.00 -2.27 0.00 0.00 64.05 61.68 1y6n n THR 57 Cb 0.30 0.35 0.12 0.00 -2.10 0.00 0.00 70.33 69.00 1y6n n THR 57 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1y6n n LEU 58 N 0.00 1.81 -3.61 3.22 4.77 -1.26 -4.85 117.00 117.08 1y6n n LEU 58 Ca 0.00 -2.80 -0.06 0.00 -0.03 0.00 0.00 56.01 53.13 1y6n n LEU 58 Cb 0.19 -0.31 -0.02 0.00 -2.33 0.00 0.00 43.42 40.96 1y6n n LEU 58 CO 0.09 0.83 0.75 -0.94 -1.33 0.00 0.00 177.39 176.79 1y6n s SER 59 N -2.51 -0.26 -0.14 -1.43 1.04 -1.26 -2.63 113.70 106.51 1y6n s SER 59 Ca 0.29 -0.16 -0.17 0.00 0.48 0.00 0.00 55.95 56.39 1y6n s SER 59 Cb 0.28 0.39 0.04 0.00 0.10 0.00 0.00 66.02 66.84 1y6n s SER 59 CO -0.05 -0.67 0.46 -0.47 0.98 0.00 0.00 173.24 173.49 1y6n s TYR 60 N -3.08 -0.47 -0.57 5.02 5.04 -0.28 -4.97 117.35 118.04 1y6n s TYR 60 Ca 0.09 1.09 -0.21 0.00 -2.44 0.00 0.00 57.07 55.60 1y6n s TYR 60 Cb -0.01 0.18 0.07 0.00 0.35 0.00 0.00 41.96 42.55 1y6n s TYR 60 CO -0.04 -0.30 0.78 0.34 -1.34 0.00 0.00 175.55 174.99 1y6n s ASP 61 N -0.12 6.23 -0.01 4.32 -1.08 -1.26 -0.59 116.67 124.15 1y6n s ASP 61 Ca -0.03 -0.92 0.14 0.00 -0.52 0.00 0.00 52.55 51.22 1y6n s ASP 61 Cb -0.03 -2.35 0.42 0.00 -1.46 0.00 0.00 42.92 39.50 1y6n s ASP 61 CO 0.02 -1.13 1.34 0.18 0.52 0.00 0.00 175.17 176.10 1y6n n LEU 62 N 6.81 2.61 -0.02 -1.34 4.77 -0.23 -4.43 117.00 125.16 1y6n n LEU 62 Ca -0.05 -1.31 -0.09 0.00 -0.03 0.00 0.00 56.01 54.54 1y6n n LEU 62 Cb 0.45 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 1y6n n LEU 62 CO 0.59 0.62 0.82 0.74 -1.33 0.00 0.00 177.39 178.83 1y6n h THR 63 N 2.74 0.79 -0.98 -5.08 2.02 -1.87 -0.99 112.91 109.54 1y6n h THR 63 Ca 0.00 0.00 0.25 0.00 0.77 0.00 0.00 66.41 67.43 1y6n h THR 63 Cb 0.68 0.79 -0.07 0.00 -1.74 0.00 0.00 68.15 67.81 1y6n h THR 63 CO 0.02 0.00 0.66 0.00 0.37 0.00 0.00 175.52 176.56 1y6n h ALA 64 N 1.11 2.41 -0.08 6.16 0.00 -1.93 0.93 119.26 127.86 1y6n h ALA 64 Ca 0.08 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1y6n h ALA 64 Cb 0.16 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1y6n h ALA 64 CO -0.18 -0.74 0.00 1.33 0.00 0.00 0.00 179.25 179.66 1y6n n VAL 65 N -4.48 0.07 -1.59 0.00 0.24 -0.86 -4.30 118.33 107.42 1y6n n VAL 65 Ca 0.22 -0.54 0.06 0.00 -2.04 0.00 0.00 64.34 62.05 1y6n n VAL 65 Cb 0.86 1.41 0.17 0.00 -1.47 0.00 0.00 33.84 34.80 1y6n n VAL 65 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1y6n n THR 66 N 1.31 1.85 0.15 3.34 -2.24 0.28 -4.79 114.28 114.18 1y6n n THR 66 Ca 0.14 -2.71 0.10 0.00 -2.27 0.00 0.00 64.05 59.31 1y6n n THR 66 Cb 0.58 -0.09 0.52 0.00 -2.10 0.00 0.00 70.33 69.23 1y6n n THR 66 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1y6n n LEU 67 N -0.99 0.49 -0.79 3.22 4.77 -0.97 -1.57 117.00 121.16 1y6n n LEU 67 Ca 0.16 0.73 0.12 0.00 -0.03 0.00 0.00 56.01 56.99 1y6n n LEU 67 Cb 0.73 -0.78 0.30 0.00 -2.33 0.00 0.00 43.42 41.33 1y6n n LEU 67 CO -0.03 -0.89 0.74 0.47 -1.33 0.00 0.00 177.39 176.35 1y6n n ASP 68 N -2.17 2.43 -0.34 -1.43 10.43 -1.26 -4.61 116.55 119.60 1y6n n ASP 68 Ca -0.01 -1.81 0.09 0.00 2.57 0.00 0.00 54.79 55.63 1y6n n ASP 68 Cb 0.04 -0.09 0.20 0.00 1.84 0.00 0.00 41.12 43.11 1y6n n ASP 68 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 177.20 176.38 1y6n h LEU 69 N 3.47 -0.71 0.00 0.64 5.85 -1.66 0.13 115.31 123.02 1y6n h LEU 69 Ca 0.00 0.28 0.00 0.00 0.84 0.00 0.00 57.88 59.00 1y6n h LEU 69 Cb 0.75 0.55 0.00 0.00 0.37 0.00 0.00 40.66 42.33 1y6n h LEU 69 CO 0.00 -0.33 0.00 -1.22 -0.34 0.00 0.00 178.44 176.55 1y6n n TYR 70 N -5.55 0.00 -0.65 1.25 4.02 -1.26 -2.91 117.16 112.06 1y6n n TYR 70 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.07 1y6n n TYR 70 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.92 1y6n n TYR 70 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 1y6n n HIS 71 N -0.69 0.00 -4.20 -0.72 8.25 0.33 -5.05 115.22 113.15 1y6n n HIS 71 Ca 0.09 -0.06 -0.22 0.00 -0.26 0.00 0.00 57.72 57.27 1y6n n HIS 71 Cb 0.04 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.12 1y6n n HIS 71 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1y6n n SER 72 N -0.06 2.68 -1.81 0.41 3.41 -0.51 -5.03 113.62 112.71 1y6n n SER 72 Ca 0.00 -2.51 -0.02 0.00 -0.26 0.00 0.00 58.87 56.08 1y6n n SER 72 Cb 0.25 0.13 0.31 0.00 -0.26 0.00 0.00 64.21 64.64 1y6n n SER 72 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1y6n n ASN 73 N -1.53 4.77 0.00 4.04 3.02 -1.26 -4.94 115.26 119.36 1y6n n ASN 73 Ca -0.09 -3.19 0.00 0.00 -0.03 0.00 0.00 54.58 51.27 1y6n n ASN 73 Cb 0.46 -0.71 0.00 0.00 -0.61 0.00 0.00 39.78 38.92 1y6n n ASN 73 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1y6n n GLY 74 N -0.12 -2.37 3.44 7.41 0.00 -1.26 -4.72 105.19 107.58 1y6n n GLY 74 Ca 0.36 -1.57 -0.23 0.00 0.00 0.00 0.00 46.02 44.59 1y6n n GLY 74 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1y6n s TYR 75 N -0.76 1.75 -0.05 1.61 1.51 0.58 -1.16 117.35 120.83 1y6n s TYR 75 Ca 0.00 -1.30 0.02 0.00 -1.01 0.00 0.00 57.07 54.78 1y6n s TYR 75 Cb 0.00 -1.06 0.01 0.00 -0.11 0.00 0.00 41.96 40.80 1y6n s TYR 75 CO 0.00 -0.37 -0.10 1.03 -1.11 0.00 0.00 175.55 175.00 1y6n s ARG 76 N -3.74 1.27 0.19 -0.62 1.81 0.13 0.32 118.95 118.32 1y6n s ARG 76 Ca 0.30 -0.33 0.11 0.00 -1.72 0.00 0.00 55.73 54.09 1y6n s ARG 76 Cb 0.04 -1.12 -0.04 0.00 -0.45 0.00 0.00 34.95 33.37 1y6n s ARG 76 CO 0.16 0.05 -0.21 0.00 -0.68 0.00 0.00 175.30 174.63 1y6n s ALA 77 N 0.50 2.64 0.11 2.13 0.00 -1.26 0.09 121.76 125.96 1y6n s ALA 77 Ca -0.09 -1.62 -0.15 0.00 0.00 0.00 0.00 51.96 50.11 1y6n s ALA 77 Cb -0.13 -0.42 0.03 0.00 0.00 0.00 0.00 23.12 22.60 1y6n s ALA 77 CO 0.02 0.43 0.35 -0.98 0.00 0.00 0.00 175.76 175.58 1y6n s ARG 78 N -2.75 1.00 0.02 0.00 1.70 -0.72 -0.88 118.95 117.31 1y6n s ARG 78 Ca 0.22 -0.73 -0.02 0.00 -0.47 0.00 0.00 55.73 54.73 1y6n s ARG 78 Cb -0.08 0.43 -0.02 0.00 -0.57 0.00 0.00 34.95 34.72 1y6n s ARG 78 CO 0.11 -0.37 0.01 0.08 -1.08 0.00 0.00 175.30 174.05 1y6n s VAL 79 N -3.67 0.11 -0.11 4.99 1.01 -0.32 -1.51 120.40 120.89 1y6n s VAL 79 Ca 0.02 -0.90 -0.08 0.00 0.00 0.00 0.00 61.98 61.02 1y6n s VAL 79 Cb 0.02 -0.37 0.04 0.00 0.00 0.00 0.00 36.38 36.07 1y6n s VAL 79 CO -0.11 -0.50 0.28 0.00 0.00 0.00 0.00 175.10 174.78 1y6n s ARG 80 N -1.58 0.29 0.43 2.72 1.70 -1.00 -0.55 118.95 120.96 1y6n s ARG 80 Ca -0.14 0.49 -0.23 0.00 -0.47 0.00 0.00 55.73 55.38 1y6n s ARG 80 Cb -0.08 0.03 -0.09 0.00 -0.57 0.00 0.00 34.95 34.24 1y6n s ARG 80 CO -0.01 -0.10 1.05 0.00 -1.08 0.00 0.00 175.30 175.16 1y6n s ALA 81 N 0.71 3.01 -0.00 7.88 0.00 -1.26 -0.68 121.76 131.42 1y6n s ALA 81 Ca -0.05 0.67 0.01 0.00 0.00 0.00 0.00 51.96 52.59 1y6n s ALA 81 Cb -0.06 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1y6n s ALA 81 CO -0.05 -0.25 -0.02 0.14 0.00 0.00 0.00 175.76 175.59 1y6n s VAL 82 N -1.78 0.14 -0.20 0.00 -7.23 0.15 -1.56 120.40 109.92 1y6n s VAL 82 Ca 0.61 -0.06 -0.04 0.00 -1.81 0.00 0.00 61.98 60.68 1y6n s VAL 82 Cb -0.20 -0.14 0.10 0.00 0.56 0.00 0.00 36.38 36.71 1y6n s VAL 82 CO 0.25 0.05 0.30 -0.62 -0.31 0.00 0.00 175.10 174.77 1y6n s ASP 83 N 0.03 0.61 0.78 4.85 3.68 -0.49 -1.11 116.67 125.01 1y6n s ASP 83 Ca -0.00 0.21 0.00 0.00 2.13 0.00 0.00 52.55 54.89 1y6n s ASP 83 Cb -0.02 0.80 0.00 0.00 -1.45 0.00 0.00 42.92 42.25 1y6n s ASP 83 CO -0.00 -0.29 0.00 0.61 0.13 0.00 0.00 175.17 175.62 1y6n n GLY 84 N 5.35 1.92 0.09 2.66 0.00 -1.26 -2.38 105.19 111.58 1y6n n GLY 84 Ca -0.05 -0.56 0.13 0.00 0.00 0.00 0.00 46.02 45.54 1y6n n GLY 84 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1y6n n SER 85 N 3.05 0.60 -4.93 1.61 3.41 -1.26 -4.90 113.62 111.20 1y6n n SER 85 Ca 0.00 -0.42 -0.28 0.00 -0.26 0.00 0.00 58.87 57.91 1y6n n SER 85 Cb 0.00 0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.00 1y6n n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y6n s ARG 86 N -2.77 3.46 0.22 4.33 1.70 -1.00 -5.11 118.95 119.78 1y6n s ARG 86 Ca 0.18 -0.49 -0.06 0.00 -0.47 0.00 0.00 55.73 54.89 1y6n s ARG 86 Cb 0.19 -2.97 -0.02 0.00 -0.57 0.00 0.00 34.95 31.57 1y6n s ARG 86 CO 0.59 0.54 0.28 -3.38 -1.08 0.00 0.00 175.30 172.25 1y6n s HIS 87 N -1.67 0.82 0.34 5.89 -3.43 -1.26 -1.40 115.29 114.57 1y6n s HIS 87 Ca 0.35 -1.10 0.05 0.00 -0.80 0.00 0.00 55.06 53.56 1y6n s HIS 87 Cb -0.12 -0.24 0.06 0.00 -1.43 0.00 0.00 32.58 30.85 1y6n s HIS 87 CO 0.28 -0.79 0.47 -1.13 -2.00 0.00 0.00 174.74 171.57 1y6n n SER 88 N -0.32 1.14 -4.78 7.38 3.41 -0.60 -4.28 113.62 115.57 1y6n n SER 88 Ca 0.00 -1.84 -0.30 0.00 -0.26 0.00 0.00 58.87 56.47 1y6n n SER 88 Cb 0.64 -0.25 0.10 0.00 -0.26 0.00 0.00 64.21 64.44 1y6n n SER 88 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1y6n s GLN 89 N -3.54 2.01 0.33 4.33 -1.52 -1.26 -4.78 119.66 115.23 1y6n s GLN 89 Ca 0.35 0.81 -0.16 0.00 -1.95 0.00 0.00 55.36 54.41 1y6n s GLN 89 Cb -0.03 -1.90 -0.09 0.00 -0.22 0.00 0.00 33.01 30.78 1y6n s GLN 89 CO 0.22 -1.72 0.76 -1.58 -0.25 0.00 0.00 175.29 172.73 1y6n s TRP 90 N -3.04 3.37 -0.25 0.91 0.52 -1.26 -4.56 118.94 114.62 1y6n s TRP 90 Ca 0.61 1.27 0.02 0.00 0.02 0.00 0.00 56.10 58.02 1y6n s TRP 90 Cb -0.16 -2.57 0.06 0.00 -1.15 0.00 0.00 33.47 29.65 1y6n s TRP 90 CO 0.55 0.07 -0.08 0.99 0.02 0.00 0.00 176.95 178.50 1y6n s THR 91 N -2.00 1.89 0.28 2.01 2.01 0.29 -4.95 115.64 115.16 1y6n s THR 91 Ca 0.55 -1.49 -0.04 0.00 0.31 0.00 0.00 61.69 61.02 1y6n s THR 91 Cb -0.10 -2.08 -0.05 0.00 0.01 0.00 0.00 72.50 70.27 1y6n s THR 91 CO 0.17 -0.08 0.53 0.68 -0.69 0.00 0.00 174.62 175.23 1y6n s VAL 92 N 1.22 5.05 0.39 3.82 -7.23 -1.26 -1.17 120.40 121.21 1y6n s VAL 92 Ca -0.07 0.01 -0.28 0.00 -1.81 0.00 0.00 61.98 59.83 1y6n s VAL 92 Cb -0.19 -3.73 -0.10 0.00 0.56 0.00 0.00 36.38 32.91 1y6n s VAL 92 CO -0.06 -0.30 1.47 0.42 -0.31 0.00 0.00 175.10 176.32 1y6n s THR 93 N -2.05 2.09 0.15 5.32 -4.23 -0.06 -4.70 115.64 112.15 1y6n s THR 93 Ca 0.43 0.09 -0.17 0.00 -1.18 0.00 0.00 61.69 60.86 1y6n s THR 93 Cb -0.11 -3.05 0.01 0.00 1.34 0.00 0.00 72.50 70.68 1y6n s THR 93 CO 0.30 0.02 1.74 0.78 -0.54 0.00 0.00 174.62 176.92 1y6n h ASN 94 N 2.90 0.08 -1.50 3.99 -0.26 -1.93 -3.45 115.58 115.42 1y6n h ASN 94 Ca -0.51 0.04 -0.52 0.00 -0.56 0.00 0.00 56.30 54.76 1y6n h ASN 94 Cb 1.24 0.04 -0.05 0.00 -1.06 0.00 0.00 38.32 38.49 1y6n h ASN 94 CO 0.64 0.08 -0.41 0.42 -1.06 0.00 0.00 177.43 177.10 1y6n s THR 95 N -6.17 2.51 -0.06 2.81 -4.23 -1.26 -5.09 115.64 104.15 1y6n s THR 95 Ca -0.13 -1.45 -0.27 0.00 -1.18 0.00 0.00 61.69 58.66 1y6n s THR 95 Cb 0.11 -2.96 -0.03 0.00 1.34 0.00 0.00 72.50 70.96 1y6n s THR 95 CO 0.70 0.00 0.87 -0.60 -0.54 0.00 0.00 174.62 175.05 1y6n s ARG 96 N -4.07 4.47 -0.22 3.99 3.52 -1.26 -4.86 118.95 120.51 1y6n s ARG 96 Ca 0.46 1.17 -0.29 0.00 -0.13 0.00 0.00 55.73 56.94 1y6n s ARG 96 Cb -0.01 -3.48 -0.00 0.00 -1.56 0.00 0.00 34.95 29.90 1y6n s ARG 96 CO 0.26 -0.08 1.20 0.12 -0.81 0.00 0.00 175.30 175.99 1y6n s PHE 97 N 1.21 2.97 0.17 5.12 5.36 0.15 -4.85 117.98 128.11 1y6n s PHE 97 Ca 0.45 1.11 0.03 0.00 -0.96 0.00 0.00 56.93 57.56 1y6n s PHE 97 Cb -0.19 -3.54 -0.01 0.00 -0.34 0.00 0.00 43.02 38.94 1y6n s PHE 97 CO 0.21 -1.31 0.12 -1.13 -1.46 0.00 0.00 175.22 171.65 1y6n n SER 98 N 6.76 0.03 0.26 6.13 3.41 -1.26 -0.31 113.62 128.65 1y6n n SER 98 Ca 0.13 -2.04 0.18 0.00 -0.26 0.00 0.00 58.87 56.88 1y6n n SER 98 Cb 0.46 0.71 0.86 0.00 -0.26 0.00 0.00 64.21 65.99 1y6n n SER 98 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1y6n h VAL 99 N 1.46 0.00 0.00 -3.33 3.04 -1.92 -2.07 116.25 113.43 1y6n h VAL 99 Ca -0.12 -0.18 -0.04 0.00 -1.01 0.00 0.00 66.70 65.35 1y6n h VAL 99 Cb 0.57 1.05 -0.01 0.00 -2.01 0.00 0.00 31.29 30.90 1y6n h VAL 99 CO 0.18 0.00 -0.19 0.44 -1.01 0.00 0.00 177.57 176.99 1y6n h ASP 100 N 0.00 0.00 -0.41 3.17 3.45 -1.95 -2.15 116.42 118.54 1y6n h ASP 100 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1y6n h ASP 100 Cb 0.20 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.97 1y6n h ASP 100 CO 0.00 0.19 0.00 -0.62 -1.57 0.00 0.00 179.24 177.24 1y6n n GLU 101 N -4.28 3.20 -3.35 3.56 1.02 -0.78 -4.58 120.64 115.42 1y6n n GLU 101 Ca -0.02 -1.99 -0.39 0.00 -0.02 0.00 0.00 57.16 54.74 1y6n n GLU 101 Cb 0.25 -1.84 -0.07 0.00 -0.02 0.00 0.00 31.44 29.76 1y6n n GLU 101 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1y6n s VAL 102 N -1.95 5.17 -0.33 2.62 1.01 -0.81 -4.27 120.40 121.84 1y6n s VAL 102 Ca 0.35 0.76 -0.26 0.00 0.00 0.00 0.00 61.98 62.83 1y6n s VAL 102 Cb 0.25 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.88 1y6n s VAL 102 CO 0.13 0.22 0.92 -0.89 0.00 0.00 0.00 175.10 175.48 1y6n s THR 103 N 1.51 4.65 0.34 3.92 2.01 0.59 -4.50 115.64 124.15 1y6n s THR 103 Ca 0.20 1.36 -0.29 0.00 0.31 0.00 0.00 61.69 63.28 1y6n s THR 103 Cb -0.15 -4.28 -0.10 0.00 0.01 0.00 0.00 72.50 67.97 1y6n s THR 103 CO 0.09 -0.40 1.36 -0.76 -0.69 0.00 0.00 174.62 174.21 1y6n s LEU 104 N 3.31 4.40 0.07 4.42 1.43 -0.48 -4.24 118.68 127.59 1y6n s LEU 104 Ca 0.38 2.79 -0.11 0.00 -1.03 0.00 0.00 54.13 56.16 1y6n s LEU 104 Cb -0.13 -3.65 0.01 0.00 0.03 0.00 0.00 46.19 42.44 1y6n s LEU 104 CO 0.15 -0.63 0.24 0.42 0.23 0.00 0.00 176.35 176.76 1y6n s THR 105 N -1.12 0.12 0.07 5.49 -4.23 -1.26 0.83 115.64 115.53 1y6n s THR 105 Ca 0.50 -0.95 0.02 0.00 -1.18 0.00 0.00 61.69 60.08 1y6n s THR 105 Cb -0.42 -1.15 -0.04 0.00 1.34 0.00 0.00 72.50 72.23 1y6n s THR 105 CO 0.56 -0.53 0.11 0.68 -0.54 0.00 0.00 174.62 174.90 1y6n s VAL 106 N -3.32 4.73 0.15 2.29 -7.23 -1.26 -4.32 120.40 111.43 1y6n s VAL 106 Ca 0.01 -0.68 -0.14 0.00 -1.81 0.00 0.00 61.98 59.36 1y6n s VAL 106 Cb 0.02 -3.29 0.02 0.00 0.56 0.00 0.00 36.38 33.70 1y6n s VAL 106 CO -0.08 0.13 1.66 1.23 -0.31 0.00 0.00 175.10 177.73 1y6n h GLY 107 N 3.26 0.83 0.00 2.32 0.00 0.28 -3.42 103.07 106.33 1y6n h GLY 107 Ca -0.46 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.36 1y6n h GLY 107 CO 0.68 0.47 0.00 -1.14 0.00 0.00 0.00 176.54 176.55 1y6n n SER 108 N -4.49 0.00 -3.92 0.19 3.41 0.98 -4.89 113.62 104.90 1y6n n SER 108 Ca 0.01 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.43 1y6n n SER 108 Cb 0.21 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 64.00 1y6n n SER 108 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1y6n s VAL 109 N -2.00 0.53 -0.09 -3.33 1.01 -1.26 -0.01 120.40 115.24 1y6n s VAL 109 Ca 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 61.98 61.80 1y6n s VAL 109 Cb 0.00 -0.52 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 1y6n s VAL 109 CO 0.00 0.20 -0.06 0.20 0.00 0.00 0.00 175.10 175.44 1y6n s ASN 110 N 0.54 4.67 -0.10 3.32 0.01 -0.39 -4.96 114.94 118.03 1y6n s ASN 110 Ca -0.07 -0.06 0.04 0.00 -0.71 0.00 0.00 52.86 52.06 1y6n s ASN 110 Cb -0.11 -1.36 0.00 0.00 0.41 0.00 0.00 41.25 40.19 1y6n s ASN 110 CO 0.00 0.30 -0.23 -0.76 -1.51 0.00 0.00 177.10 174.90 1y6n s LEU 111 N -0.46 2.07 0.04 0.60 1.43 -1.26 -1.02 118.68 120.09 1y6n s LEU 111 Ca 0.07 -0.55 0.08 0.00 -1.03 0.00 0.00 54.13 52.70 1y6n s LEU 111 Cb -0.12 -1.39 -0.03 0.00 0.03 0.00 0.00 46.19 44.68 1y6n s LEU 111 CO 0.02 0.15 -0.23 -1.61 0.23 0.00 0.00 176.35 174.90 1y6n s GLU 112 N 0.40 1.61 -0.29 1.70 2.02 -0.42 -4.96 118.70 118.77 1y6n s GLU 112 Ca -0.18 -1.00 -0.15 0.00 0.02 0.00 0.00 54.97 53.67 1y6n s GLU 112 Cb -0.18 -1.73 -0.03 0.00 0.10 0.00 0.00 34.13 32.29 1y6n s GLU 112 CO 0.08 0.45 0.36 0.96 0.02 0.00 0.00 175.26 177.12 1y6n s ILE 113 N -0.78 5.18 0.00 -1.63 -4.36 -1.26 -1.40 121.20 116.95 1y6n s ILE 113 Ca 0.09 0.43 0.00 0.00 -0.26 0.00 0.00 60.65 60.91 1y6n s ILE 113 Cb -0.09 -3.71 0.00 0.00 1.25 0.00 0.00 42.46 39.91 1y6n s ILE 113 CO 0.02 0.11 0.00 1.41 0.24 0.00 0.00 174.94 176.72 1y6n n HIS 114 N 5.33 0.00 0.00 1.37 8.25 -0.98 -5.02 115.22 124.17 1y6n n HIS 114 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1y6n n HIS 114 Cb 0.51 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.62 1y6n n HIS 114 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1y6n n ASN 115 N 0.00 0.00 -2.75 0.41 5.15 -1.26 -4.51 115.26 112.30 1y6n n ASN 115 Ca 0.00 0.80 -0.09 0.00 -0.60 0.00 0.00 54.58 54.69 1y6n n ASN 115 Cb 0.00 -0.30 0.07 0.00 -0.53 0.00 0.00 39.78 39.02 1y6n n ASN 115 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1y6n n GLY 116 N -0.89 1.51 3.91 8.20 0.00 -1.26 -5.11 105.19 111.55 1y6n n GLY 116 Ca 0.00 -0.60 -0.01 0.00 0.00 0.00 0.00 46.02 45.41 1y6n n GLY 116 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1y6n s PHE 117 N -1.01 0.06 -0.07 1.61 -0.12 -1.26 -3.11 117.98 114.08 1y6n s PHE 117 Ca 0.25 -0.37 0.04 0.00 -0.05 0.00 0.00 56.93 56.80 1y6n s PHE 117 Cb 0.39 0.66 -0.02 0.00 -0.63 0.00 0.00 43.02 43.42 1y6n s PHE 117 CO -0.05 -0.73 -0.20 0.96 -0.05 0.00 0.00 175.22 175.16 1y6n s ILE 118 N -2.13 2.54 -0.19 -4.49 -4.36 -0.65 -2.32 121.20 109.60 1y6n s ILE 118 Ca 0.24 -0.89 -0.04 0.00 -0.26 0.00 0.00 60.65 59.70 1y6n s ILE 118 Cb -0.02 -1.98 -0.02 0.00 1.25 0.00 0.00 42.46 41.69 1y6n s ILE 118 CO 0.03 0.57 -0.03 -0.22 0.24 0.00 0.00 174.94 175.53 1y6n s LEU 119 N -0.22 3.11 -0.12 0.37 2.96 -0.49 -1.08 118.68 123.20 1y6n s LEU 119 Ca -0.01 -0.25 -0.04 0.00 -0.22 0.00 0.00 54.13 53.61 1y6n s LEU 119 Cb -0.13 -1.78 -0.03 0.00 0.50 0.00 0.00 46.19 44.75 1y6n s LEU 119 CO 0.03 0.06 0.02 -0.83 -1.32 0.00 0.00 176.35 174.32 1y6n s GLY 120 N 0.98 1.88 -0.23 7.98 0.00 -0.09 -1.31 107.32 116.54 1y6n s GLY 120 Ca 0.01 -0.77 0.02 0.00 0.00 0.00 0.00 44.72 43.97 1y6n s GLY 120 CO 0.01 -0.32 -0.12 0.54 0.00 0.00 0.00 173.10 173.22 1y6n s LYS 121 N -0.40 2.23 -0.38 2.90 1.02 -0.18 -1.85 119.74 123.09 1y6n s LYS 121 Ca 0.08 -1.07 -0.23 0.00 0.02 0.00 0.00 55.97 54.77 1y6n s LYS 121 Cb -0.12 -2.66 0.01 0.00 -0.52 0.00 0.00 37.83 34.54 1y6n s LYS 121 CO 0.02 -0.47 0.78 0.42 -0.92 0.00 0.00 175.35 175.18 1y6n s ILE 122 N 1.25 4.73 -0.34 2.17 1.01 0.58 -1.27 121.20 129.33 1y6n s ILE 122 Ca -0.04 0.81 -0.17 0.00 0.00 0.00 0.00 60.65 61.25 1y6n s ILE 122 Cb -0.18 -4.22 -0.01 0.00 0.01 0.00 0.00 42.46 38.07 1y6n s ILE 122 CO -0.07 -0.47 0.44 -1.10 0.00 0.00 0.00 174.94 173.74 1y6n s GLN 123 N 3.11 3.61 0.72 2.79 -1.52 0.98 -4.87 119.66 124.48 1y6n s GLN 123 Ca 0.31 -0.27 -0.12 0.00 -1.95 0.00 0.00 55.36 53.33 1y6n s GLN 123 Cb -0.13 -3.80 0.03 0.00 -0.22 0.00 0.00 33.01 28.88 1y6n s GLN 123 CO 0.18 -0.58 1.09 -0.51 -0.25 0.00 0.00 175.29 175.22 1y6n s LEU 124 N 2.22 3.20 0.11 2.90 1.43 -1.26 0.23 118.68 127.50 1y6n s LEU 124 Ca 0.16 1.87 -0.31 0.00 -1.03 0.00 0.00 54.13 54.82 1y6n s LEU 124 Cb -0.16 -4.53 -0.11 0.00 0.03 0.00 0.00 46.19 41.42 1y6n s LEU 124 CO 0.12 -1.80 1.86 -0.81 0.23 0.00 0.00 176.35 175.95 1y6n n PRO 125 N -3.01 2.78 -3.11 1.29 -0.04 -1.26 -3.87 135.00 127.79 1y6n n PRO 125 Ca 0.09 1.01 -0.30 0.00 -0.04 0.00 0.00 63.50 64.26 1y6n n PRO 125 Cb 0.53 -2.92 -0.04 0.00 -0.04 0.00 0.00 33.50 31.03 1y6n n PRO 125 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1y6n n ARG 126 N 5.92 3.35 -1.74 0.54 5.12 -1.26 -4.63 116.66 123.96 1y6n n ARG 126 Ca 0.18 -4.74 -0.42 0.00 -1.93 0.00 0.00 57.85 50.95 1y6n n ARG 126 Cb 0.37 -2.30 -0.01 0.00 -1.16 0.00 0.00 32.46 29.36 1y6n n ARG 126 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1y6n n PRO 127 N 0.38 2.45 -0.22 5.56 -0.04 -1.26 -4.89 135.00 136.98 1y6n n PRO 127 Ca 0.32 0.86 0.01 0.00 -0.04 0.00 0.00 63.50 64.64 1y6n n PRO 127 Cb 0.38 -2.54 0.25 0.00 -0.04 0.00 0.00 33.50 31.54 1y6n n PRO 127 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 1y6n h LYS 128 N 3.22 0.99 0.00 0.54 2.10 -1.96 -2.96 116.57 118.50 1y6n h LYS 128 Ca -0.48 -0.06 0.00 0.00 -2.00 0.00 0.00 60.65 58.11 1y6n h LYS 128 Cb 1.26 -0.22 0.00 0.00 -0.90 0.00 0.00 32.23 32.36 1y6n h LYS 128 CO 0.67 0.65 -0.01 0.52 -2.00 0.00 0.00 179.45 179.28 1y6n h MET 129 N 1.02 0.00 -6.55 0.07 2.86 -1.90 -3.46 114.93 106.97 1y6n h MET 129 Ca 0.28 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.38 1y6n h MET 129 Cb -0.11 0.00 0.05 0.00 0.06 0.00 0.00 31.60 31.59 1y6n h MET 129 CO -0.06 0.00 1.06 0.00 1.06 0.00 0.00 176.91 178.97 1y6n n ALA 130 N -1.86 2.30 -1.33 6.32 0.00 -1.12 -4.91 120.51 119.91 1y6n n ALA 130 Ca 0.05 0.35 -0.38 0.00 0.00 0.00 0.00 53.44 53.46 1y6n n ALA 130 Cb 0.46 -2.55 0.02 0.00 0.00 0.00 0.00 19.45 17.38 1y6n n ALA 130 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1y6n n PRO 131 N 4.99 0.22 0.08 0.00 -0.02 -1.26 -4.86 135.00 134.14 1y6n n PRO 131 Ca 0.17 0.09 -0.12 0.00 -2.02 0.00 0.00 63.50 61.62 1y6n n PRO 131 Cb 0.36 -1.32 -0.05 0.00 -0.02 0.00 0.00 33.50 32.46 1y6n n PRO 131 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1y6n h ALA 132 N 0.04 -0.43 -0.19 3.55 0.00 -1.96 -2.57 119.26 117.69 1y6n h ALA 132 Ca -0.43 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.39 1y6n h ALA 132 Cb 1.42 0.50 -0.01 0.00 0.00 0.00 0.00 17.79 19.70 1y6n h ALA 132 CO 0.43 -0.81 -0.18 -0.56 0.00 0.00 0.00 179.25 178.14 1y6n h GLN 133 N -0.46 0.33 -5.76 0.00 -0.00 -2.03 -3.39 115.11 103.80 1y6n h GLN 133 Ca 0.05 -0.10 -0.47 0.00 -0.00 0.00 0.00 58.65 58.14 1y6n h GLN 133 Cb 0.53 -0.03 -0.06 0.00 -0.00 0.00 0.00 27.48 27.91 1y6n h GLN 133 CO -0.23 0.51 1.36 -0.51 -0.00 0.00 0.00 178.83 179.96 1y6n s ASP 134 N -6.84 5.82 0.36 0.06 1.11 -0.97 -4.89 116.67 111.32 1y6n s ASP 134 Ca -0.06 -1.57 0.05 0.00 0.18 0.00 0.00 52.55 51.15 1y6n s ASP 134 Cb 0.15 -2.58 -0.01 0.00 1.07 0.00 0.00 42.92 41.55 1y6n s ASP 134 CO 0.76 -2.19 0.52 0.28 1.18 0.00 0.00 175.17 175.71 1y6n s THR 135 N 7.83 4.09 0.04 -1.27 -1.32 -1.26 -4.49 115.64 119.26 1y6n s THR 135 Ca 0.60 -0.86 -0.25 0.00 -1.21 0.00 0.00 61.69 59.97 1y6n s THR 135 Cb -0.01 -3.44 -0.17 0.00 -1.51 0.00 0.00 72.50 67.37 1y6n s THR 135 CO 0.04 -0.21 1.52 0.22 -2.21 0.00 0.00 174.62 173.98 1y6n h TYR 136 N 0.77 -0.10 0.00 9.09 3.20 -1.93 0.30 116.97 128.30 1y6n h TYR 136 Ca -0.46 -0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.40 1y6n h TYR 136 Cb 1.25 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 39.56 1y6n h TYR 136 CO 0.43 0.12 -0.03 0.93 -1.64 0.00 0.00 178.16 177.97 1y6n h GLU 137 N -0.30 0.00 -0.18 1.82 3.07 -1.96 0.50 114.58 117.52 1y6n h GLU 137 Ca -0.01 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.75 1y6n h GLU 137 Cb 0.26 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.17 1y6n h GLU 137 CO 0.02 0.03 -0.26 1.03 -1.40 0.00 0.00 179.01 178.43 1y6n h SER 138 N 0.00 0.55 0.09 1.42 0.87 -1.75 -2.31 113.55 112.41 1y6n h SER 138 Ca -0.00 -0.51 -0.00 0.00 -1.23 0.00 0.00 61.79 60.04 1y6n h SER 138 Cb 0.06 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.87 1y6n h SER 138 CO 0.00 0.95 -0.04 0.40 -0.53 0.00 0.00 176.83 177.61 1y6n h ILE 139 N 0.15 1.08 -3.47 2.23 1.08 0.00 -3.37 117.51 115.22 1y6n h ILE 139 Ca 0.02 -1.42 -0.76 0.00 -0.39 0.00 0.00 64.86 62.32 1y6n h ILE 139 Cb 0.83 1.89 -0.31 0.00 -3.07 0.00 0.00 36.82 36.15 1y6n h ILE 139 CO 0.06 0.31 0.18 -0.36 -0.69 0.00 0.00 178.15 177.65 1y6n s PHE 140 N -3.09 4.07 -0.67 1.37 0.40 0.17 -4.89 117.98 115.35 1y6n s PHE 140 Ca -0.14 -2.82 0.26 0.00 -0.60 0.00 0.00 56.93 53.63 1y6n s PHE 140 Cb -0.00 -3.56 0.85 0.00 0.51 0.00 0.00 43.02 40.82 1y6n s PHE 140 CO 0.52 -0.86 1.76 -1.13 0.70 0.00 0.00 175.22 176.21 1y6n n SER 141 N 2.60 0.78 -3.93 1.36 3.41 -0.87 -4.39 113.62 112.59 1y6n n SER 141 Ca 0.22 0.60 -0.09 0.00 -0.26 0.00 0.00 58.87 59.34 1y6n n SER 141 Cb 0.38 -0.80 -0.09 0.00 -0.26 0.00 0.00 64.21 63.45 1y6n n SER 141 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1y6n s HIS 142 N -3.16 0.22 -1.38 7.33 3.76 -1.26 -4.91 115.29 115.90 1y6n s HIS 142 Ca 0.09 -0.59 0.00 0.00 -0.15 0.00 0.00 55.06 54.41 1y6n s HIS 142 Cb 0.12 -0.15 0.00 0.00 1.11 0.00 0.00 32.58 33.66 1y6n s HIS 142 CO 0.55 -0.42 0.00 1.19 -0.85 0.00 0.00 174.74 175.21 1y6n n PHE 143 N 0.43 -0.00 -2.26 1.40 3.72 -1.26 -4.76 117.46 114.73 1y6n n PHE 143 Ca -0.17 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.80 1y6n n PHE 143 Cb 0.60 -2.36 -0.03 0.00 -0.94 0.00 0.00 39.48 36.76 1y6n n PHE 143 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1y6n s ARG 144 N -3.11 4.25 0.35 -1.08 0.52 -1.26 -0.55 118.95 118.07 1y6n s ARG 144 Ca 0.00 1.90 0.04 0.00 -0.52 0.00 0.00 55.73 57.15 1y6n s ARG 144 Cb 0.00 -3.72 -0.06 0.00 0.52 0.00 0.00 34.95 31.69 1y6n s ARG 144 CO 0.00 -0.66 0.05 -1.21 0.02 0.00 0.00 175.30 173.50 1y6n s GLU 145 N 3.07 1.73 -0.06 3.54 2.02 -0.67 -4.38 118.70 123.94 1y6n s GLU 145 Ca 0.63 -1.97 -0.05 0.00 0.02 0.00 0.00 54.97 53.59 1y6n s GLU 145 Cb -0.28 -0.98 0.02 0.00 0.10 0.00 0.00 34.13 32.99 1y6n s GLU 145 CO 0.23 -0.19 0.17 0.71 0.02 0.00 0.00 175.26 176.20 1y6n s TYR 146 N -3.20 -0.19 -0.19 1.61 1.51 0.13 -1.93 117.35 115.09 1y6n s TYR 146 Ca 0.35 0.46 -0.10 0.00 -1.01 0.00 0.00 57.07 56.77 1y6n s TYR 146 Cb 0.08 0.04 -0.05 0.00 -0.11 0.00 0.00 41.96 41.93 1y6n s TYR 146 CO 0.16 -0.11 0.14 -2.00 -1.11 0.00 0.00 175.55 172.63 1y6n s GLU 147 N 0.30 4.18 -0.08 -0.62 2.56 0.15 -0.55 118.70 124.63 1y6n s GLU 147 Ca -0.02 -0.19 0.04 0.00 0.00 0.00 0.00 54.97 54.80 1y6n s GLU 147 Cb -0.03 -3.41 -0.01 0.00 2.00 0.00 0.00 34.13 32.67 1y6n s GLU 147 CO -0.01 0.31 -0.20 0.42 -0.56 0.00 0.00 175.26 175.21 1y6n s ILE 148 N 0.33 2.46 -0.19 -3.70 1.01 0.14 -0.75 121.20 120.50 1y6n s ILE 148 Ca 0.09 -0.90 -0.01 0.00 0.00 0.00 0.00 60.65 59.83 1y6n s ILE 148 Cb -0.11 -1.95 0.01 0.00 0.01 0.00 0.00 42.46 40.41 1y6n s ILE 148 CO -0.01 0.56 -0.14 0.00 0.00 0.00 0.00 174.94 175.35 1y6n s ALA 149 N -0.02 2.52 -0.11 9.38 0.00 -0.64 -0.87 121.76 132.03 1y6n s ALA 149 Ca -0.06 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 50.74 1y6n s ALA 149 Cb -0.15 -1.38 -0.01 0.00 0.00 0.00 0.00 23.12 21.59 1y6n s ALA 149 CO 0.05 -0.35 -0.18 0.42 0.00 0.00 0.00 175.76 175.70 1y6n s ILE 150 N 1.31 2.60 -0.06 0.00 1.09 -0.63 -1.80 121.20 123.71 1y6n s ILE 150 Ca 0.04 -0.83 0.04 0.00 -1.10 0.00 0.00 60.65 58.80 1y6n s ILE 150 Cb -0.14 -2.04 -0.00 0.00 -1.06 0.00 0.00 42.46 39.22 1y6n s ILE 150 CO -0.08 0.55 -0.19 -0.60 -0.10 0.00 0.00 174.94 174.51 1y6n s ARG 151 N 0.25 2.12 0.38 2.79 3.52 -0.02 -0.93 118.95 127.05 1y6n s ARG 151 Ca -0.12 -0.69 -0.10 0.00 -0.13 0.00 0.00 55.73 54.69 1y6n s ARG 151 Cb -0.16 -1.77 -0.06 0.00 -1.56 0.00 0.00 34.95 31.39 1y6n s ARG 151 CO 0.07 0.24 0.74 0.15 -0.81 0.00 0.00 175.30 175.68 1y6n s LYS 152 N 0.11 3.78 -0.18 5.12 1.02 -1.26 -0.81 119.74 127.51 1y6n s LYS 152 Ca -0.07 0.42 -0.10 0.00 0.02 0.00 0.00 55.97 56.24 1y6n s LYS 152 Cb -0.13 -2.43 0.06 0.00 -0.52 0.00 0.00 37.83 34.81 1y6n s LYS 152 CO 0.04 0.02 0.43 0.08 -0.92 0.00 0.00 175.35 174.99 1y6n s VAL 153 N -2.29 -0.02 0.79 3.17 1.01 -0.13 -4.05 120.40 118.88 1y6n s VAL 153 Ca 0.50 0.08 -0.14 0.00 0.00 0.00 0.00 61.98 62.43 1y6n s VAL 153 Cb -0.10 -0.64 0.07 0.00 0.00 0.00 0.00 36.38 35.71 1y6n s VAL 153 CO 0.30 0.03 1.20 -2.84 0.00 0.00 0.00 175.10 173.79 1y6n s PRO 154 N 1.40 1.76 0.00 2.72 0.02 -1.26 -0.36 135.00 139.28 1y6n s PRO 154 Ca -0.09 1.74 0.00 0.00 0.02 0.00 0.00 61.00 62.66 1y6n s PRO 154 Cb -0.08 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.65 1y6n s PRO 154 CO -0.13 -2.11 0.00 0.41 -0.33 0.00 0.00 177.00 174.83 1y6n n GLY 155 N 0.41 2.36 3.61 0.52 0.00 -1.26 -4.93 105.19 105.90 1y6n n GLY 155 Ca 0.13 -1.23 -0.30 0.00 0.00 0.00 0.00 46.02 44.61 1y6n n GLY 155 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1y6n s GLN 156 N -2.01 -1.46 -1.23 1.61 -1.52 -1.26 -4.92 119.66 108.87 1y6n s GLN 156 Ca 0.00 -0.25 -0.06 0.00 -1.95 0.00 0.00 55.36 53.11 1y6n s GLN 156 Cb 0.00 -1.58 0.19 0.00 -0.22 0.00 0.00 33.01 31.40 1y6n s GLN 156 CO 0.00 -3.84 2.04 0.34 -0.25 0.00 0.00 175.29 173.58 1y6n n PHE 157 N -4.81 2.66 -4.27 0.91 -0.00 -1.26 -4.78 117.46 105.91 1y6n n PHE 157 Ca 0.16 -2.73 -0.22 0.00 -0.00 0.00 0.00 57.45 54.65 1y6n n PHE 157 Cb 0.60 -1.68 -0.12 0.00 -0.00 0.00 0.00 39.48 38.28 1y6n n PHE 157 CO 0.00 0.00 0.00 0.95 -0.00 0.00 0.00 176.76 177.71 1y6n s THR 158 N -1.49 1.59 0.14 -2.13 -4.23 -1.26 -5.16 115.64 103.10 1y6n s THR 158 Ca 0.45 -1.58 0.07 0.00 -1.18 0.00 0.00 61.69 59.45 1y6n s THR 158 Cb 0.14 -1.51 -0.04 0.00 1.34 0.00 0.00 72.50 72.43 1y6n s THR 158 CO -0.05 -0.16 -0.15 -0.36 -0.54 0.00 0.00 174.62 173.36 1y6n s PHE 159 N -1.41 1.56 -0.17 3.99 0.40 -1.26 -4.41 117.98 116.68 1y6n s PHE 159 Ca 0.07 -0.53 -0.06 0.00 -0.60 0.00 0.00 56.93 55.81 1y6n s PHE 159 Cb -0.09 -0.80 -0.03 0.00 0.51 0.00 0.00 43.02 42.61 1y6n s PHE 159 CO 0.04 0.22 0.01 0.99 0.70 0.00 0.00 175.22 177.18 1y6n s THR 160 N -2.19 4.34 -0.18 0.64 2.01 -0.11 -4.88 115.64 115.27 1y6n s THR 160 Ca 0.12 -0.20 -0.09 0.00 0.31 0.00 0.00 61.69 61.84 1y6n s THR 160 Cb -0.05 -2.93 -0.05 0.00 0.01 0.00 0.00 72.50 69.48 1y6n s THR 160 CO 0.04 0.48 0.12 -1.00 -0.69 0.00 0.00 174.62 173.57 1y6n s HIS 161 N 0.37 3.40 0.04 4.92 0.09 -1.26 -1.61 115.29 121.25 1y6n s HIS 161 Ca -0.01 0.31 0.03 0.00 -0.00 0.00 0.00 55.06 55.40 1y6n s HIS 161 Cb -0.13 -2.10 -0.02 0.00 -0.00 0.00 0.00 32.58 30.32 1y6n s HIS 161 CO 0.02 0.34 -0.10 0.21 -0.00 0.00 0.00 174.74 175.21 1y6n s LYS 162 N 0.12 0.63 -0.15 1.40 2.20 -0.05 -4.98 119.74 118.91 1y6n s LYS 162 Ca 0.08 -0.72 0.00 0.00 -0.36 0.00 0.00 55.97 54.98 1y6n s LYS 162 Cb -0.11 -0.50 -0.00 0.00 -1.51 0.00 0.00 37.83 35.70 1y6n s LYS 162 CO -0.01 0.11 -0.15 0.21 -0.36 0.00 0.00 175.35 175.16 1y6n s LYS 163 N -1.34 3.23 -0.01 4.03 2.47 -1.26 0.28 119.74 127.14 1y6n s LYS 163 Ca -0.05 -0.74 0.07 0.00 -1.56 0.00 0.00 55.97 53.69 1y6n s LYS 163 Cb -0.09 -2.64 -0.02 0.00 -1.46 0.00 0.00 37.83 33.63 1y6n s LYS 163 CO 0.01 0.03 -0.22 0.14 0.16 0.00 0.00 175.35 175.46 1y6n s VAL 164 N 0.80 1.78 -2.26 4.02 -7.23 0.29 -4.99 120.40 112.81 1y6n s VAL 164 Ca -0.05 -1.01 0.20 0.00 -1.81 0.00 0.00 61.98 59.30 1y6n s VAL 164 Cb -0.15 -1.49 0.43 0.00 0.56 0.00 0.00 36.38 35.73 1y6n s VAL 164 CO 0.00 0.46 1.46 0.29 -0.31 0.00 0.00 175.10 177.00 1y6n n LYS 165 N 2.40 2.00 -4.20 4.82 4.76 -1.26 0.17 118.16 126.86 1y6n n LYS 165 Ca -0.16 -1.53 -0.12 0.00 -2.87 0.00 0.00 58.31 53.64 1y6n n LYS 165 Cb 0.52 -1.41 -0.10 0.00 -1.84 0.00 0.00 35.03 32.20 1y6n n LYS 165 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 1y6n s HIS 166 N -1.62 1.16 -1.73 2.13 3.76 -1.26 -4.75 115.29 112.98 1y6n s HIS 166 Ca 0.33 -1.37 0.27 0.00 -0.15 0.00 0.00 55.06 54.14 1y6n s HIS 166 Cb 0.18 -0.54 1.48 0.00 1.11 0.00 0.00 32.58 34.81 1y6n s HIS 166 CO 0.26 -0.66 1.94 0.39 -0.85 0.00 0.00 174.74 175.82 1y6n n GLU 167 N -0.28 0.62 -4.20 1.40 4.71 -1.26 -4.63 120.64 117.00 1y6n n GLU 167 Ca 0.02 0.02 -0.20 0.00 -0.01 0.00 0.00 57.16 56.99 1y6n n GLU 167 Cb 0.66 -1.50 -0.16 0.00 -1.01 0.00 0.00 31.44 29.43 1y6n n GLU 167 CO 0.00 0.00 0.00 1.14 0.09 0.00 0.00 177.13 178.36 1y6n s GLN 168 N -2.27 0.86 0.25 3.49 0.00 -1.26 0.22 119.66 120.95 1y6n s GLN 168 Ca 0.33 -0.13 0.03 0.00 -0.00 0.00 0.00 55.36 55.59 1y6n s GLN 168 Cb 0.18 -0.85 -0.05 0.00 0.00 0.00 0.00 33.01 32.29 1y6n s GLN 168 CO 0.36 -0.06 0.04 -0.59 0.00 0.00 0.00 175.29 175.04 1y6n s PHE 169 N 0.84 1.58 -0.04 9.60 -0.71 -0.77 -4.96 117.98 123.52 1y6n s PHE 169 Ca -0.12 -1.03 0.01 0.00 -1.04 0.00 0.00 56.93 54.76 1y6n s PHE 169 Cb -0.14 -0.94 0.02 0.00 -1.21 0.00 0.00 43.02 40.74 1y6n s PHE 169 CO 0.01 -0.15 -0.04 -1.54 -1.34 0.00 0.00 175.22 172.15 1y6n s SER 170 N -3.32 0.79 -0.29 1.98 1.04 -1.26 -0.92 113.70 111.72 1y6n s SER 170 Ca 0.33 -0.11 -0.00 0.00 0.48 0.00 0.00 55.95 56.65 1y6n s SER 170 Cb 0.07 -0.37 0.06 0.00 0.10 0.00 0.00 66.02 65.88 1y6n s SER 170 CO 0.11 -0.05 -0.02 -0.76 0.98 0.00 0.00 173.24 173.50 1y6n s LEU 171 N 0.81 3.86 0.57 2.42 1.43 -0.24 -4.97 118.68 122.56 1y6n s LEU 171 Ca -0.10 -1.38 -0.21 0.00 -1.03 0.00 0.00 54.13 51.41 1y6n s LEU 171 Cb -0.13 -1.67 -0.04 0.00 0.03 0.00 0.00 46.19 44.38 1y6n s LEU 171 CO -0.00 -0.26 1.31 0.00 0.23 0.00 0.00 176.35 177.63 1y6n n LEU 172 N 4.55 5.48 -4.64 1.79 -0.00 -1.26 -1.63 117.00 121.29 1y6n n LEU 172 Ca -0.12 0.93 -0.35 0.00 -0.00 0.00 0.00 56.01 56.47 1y6n n LEU 172 Cb 0.43 -1.56 -0.10 0.00 -0.00 0.00 0.00 43.42 42.19 1y6n n LEU 172 CO 0.25 -0.79 -0.32 -0.89 -0.00 0.00 0.00 177.39 175.64 1y6n s THR 173 N -1.33 4.22 -1.31 1.47 2.01 -1.18 -4.87 115.64 114.66 1y6n s THR 173 Ca 0.75 -0.27 0.26 0.00 0.31 0.00 0.00 61.69 62.73 1y6n s THR 173 Cb -0.41 -2.79 0.15 0.00 0.01 0.00 0.00 72.50 69.46 1y6n s THR 173 CO 0.47 0.58 1.54 -1.20 -0.69 0.00 0.00 174.62 175.32 1y6n n SER 174 N 2.47 0.63 0.00 3.53 7.64 -1.26 -4.92 113.62 121.70 1y6n n SER 174 Ca -0.18 -0.43 0.00 0.00 1.01 0.00 0.00 58.87 59.26 1y6n n SER 174 Cb 0.53 0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 1y6n n SER 174 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1y6n n GLY 175 N 1.43 2.11 0.39 0.23 0.00 -1.26 -4.80 105.19 103.28 1y6n n GLY 175 Ca 0.09 -0.42 0.30 0.00 0.00 0.00 0.00 46.02 45.98 1y6n n GLY 175 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1y6n n GLU 176 N 0.00 -0.00 -2.56 1.61 0.28 -1.26 -4.52 120.64 114.18 1y6n n GLU 176 Ca 0.00 0.65 -0.41 0.00 -0.16 0.00 0.00 57.16 57.25 1y6n n GLU 176 Cb 0.00 -1.46 -0.04 0.00 1.43 0.00 0.00 31.44 31.36 1y6n n GLU 176 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1y6n s VAL 177 N -4.17 3.88 0.00 3.84 1.01 -1.26 -5.02 120.40 118.67 1y6n s VAL 177 Ca -0.03 1.71 0.00 0.00 0.00 0.00 0.00 61.98 63.66 1y6n s VAL 177 Cb 0.16 -4.09 0.00 0.00 0.00 0.00 0.00 36.38 32.45 1y6n s VAL 177 CO 0.51 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.56 1y6n n GLY 178 N 1.80 1.59 3.93 4.51 0.00 -1.26 -4.98 105.19 110.78 1y6n n GLY 178 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 1y6n n GLY 178 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1y6n s GLU 179 N 0.00 3.46 0.05 1.61 2.12 0.51 -4.99 118.70 121.46 1y6n s GLU 179 Ca 0.00 -0.47 0.05 0.00 0.36 0.00 0.00 54.97 54.91 1y6n s GLU 179 Cb 0.00 -2.97 -0.02 0.00 0.26 0.00 0.00 34.13 31.40 1y6n s GLU 179 CO 0.00 0.53 -0.14 -0.06 -0.54 0.00 0.00 175.26 175.06 1y6n s PHE 180 N -1.67 1.18 -0.00 5.30 2.99 -1.26 -0.95 117.98 123.56 1y6n s PHE 180 Ca 0.36 -0.38 0.04 0.00 0.00 0.00 0.00 56.93 56.95 1y6n s PHE 180 Cb -0.12 -0.69 -0.01 0.00 0.00 0.00 0.00 43.02 42.20 1y6n s PHE 180 CO 0.28 0.03 -0.14 0.00 -0.00 0.00 0.00 175.22 175.40 1y6n s VAL 182 N -0.40 1.44 0.02 0.00 1.01 0.30 -0.84 120.40 121.94 1y6n s VAL 182 Ca 0.05 -1.91 -0.06 0.00 0.00 0.00 0.00 61.98 60.06 1y6n s VAL 182 Cb -0.06 -1.73 -0.00 0.00 0.00 0.00 0.00 36.38 34.59 1y6n s VAL 182 CO -0.00 -0.50 0.12 -1.10 0.00 0.00 0.00 175.10 173.61 1y6n s GLN 183 N -3.09 0.52 0.04 2.72 -0.21 -0.75 -1.03 119.66 117.87 1y6n s GLN 183 Ca 0.14 -0.55 0.04 0.00 0.02 0.00 0.00 55.36 55.01 1y6n s GLN 183 Cb -0.03 0.21 -0.02 0.00 1.00 0.00 0.00 33.01 34.17 1y6n s GLN 183 CO 0.04 -0.13 -0.13 0.08 -2.12 0.00 0.00 175.29 173.03 1y6n s VAL 184 N -1.89 0.99 -0.19 1.09 1.01 -1.26 -1.62 120.40 118.54 1y6n s VAL 184 Ca -0.11 -0.99 -0.01 0.00 0.00 0.00 0.00 61.98 60.87 1y6n s VAL 184 Cb -0.05 -0.92 0.05 0.00 0.00 0.00 0.00 36.38 35.46 1y6n s VAL 184 CO -0.01 -0.06 -0.01 -0.75 0.00 0.00 0.00 175.10 174.27 1y6n s LYS 185 N -1.19 1.09 0.39 2.72 2.20 0.07 -0.93 119.74 124.10 1y6n s LYS 185 Ca -0.00 -0.53 -0.08 0.00 -0.36 0.00 0.00 55.97 54.99 1y6n s LYS 185 Cb -0.08 -2.10 -0.05 0.00 -1.51 0.00 0.00 37.83 34.09 1y6n s LYS 185 CO 0.01 -0.54 0.72 -1.25 -0.36 0.00 0.00 175.35 173.93 1y6n s PRO 186 N 1.70 3.69 0.35 4.03 0.04 -1.26 0.31 135.00 143.85 1y6n s PRO 186 Ca -0.01 0.29 -0.12 0.00 0.04 0.00 0.00 61.00 61.20 1y6n s PRO 186 Cb -0.17 -2.45 0.05 0.00 0.04 0.00 0.00 34.50 31.97 1y6n s PRO 186 CO -0.07 -0.01 0.68 -1.13 0.04 0.00 0.00 177.00 176.50 1y6n n SER 187 N -1.44 -1.97 -3.68 6.66 3.41 -0.81 -4.35 113.62 111.43 1y6n n SER 187 Ca 0.01 -2.45 -0.27 0.00 -0.26 0.00 0.00 58.87 55.90 1y6n n SER 187 Cb 0.54 3.31 -0.17 0.00 -0.26 0.00 0.00 64.21 67.63 1y6n n SER 187 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1y6n s VAL 188 N -2.26 0.26 0.43 -3.33 1.01 -1.26 -1.66 120.40 113.59 1y6n s VAL 188 Ca 0.15 -0.41 0.35 0.00 0.00 0.00 0.00 61.98 62.07 1y6n s VAL 188 Cb -0.04 -0.85 0.52 0.00 0.00 0.00 0.00 36.38 36.02 1y6n s VAL 188 CO 0.11 -0.26 1.43 0.00 0.00 0.00 0.00 175.10 176.39 1y6n n ALA 189 N 5.15 1.40 0.58 5.51 0.00 0.29 0.67 120.51 134.11 1y6n n ALA 189 Ca -0.08 0.74 0.12 0.00 0.00 0.00 0.00 53.44 54.22 1y6n n ALA 189 Cb 0.48 -0.99 0.25 0.00 0.00 0.00 0.00 19.45 19.18 1y6n n ALA 189 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1y6n n SER 190 N -4.31 0.75 -4.55 0.00 3.41 -1.26 -4.90 113.62 102.76 1y6n n SER 190 Ca 0.38 0.28 -0.24 0.00 -0.26 0.00 0.00 58.87 59.04 1y6n n SER 190 Cb 1.56 -0.18 -0.09 0.00 -0.26 0.00 0.00 64.21 65.24 1y6n n SER 190 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1y6n s ARG 191 N -3.15 1.95 -0.03 4.33 0.52 0.21 -5.04 118.95 117.75 1y6n s ARG 191 Ca 0.08 -1.63 0.20 0.00 -0.52 0.00 0.00 55.73 53.86 1y6n s ARG 191 Cb 0.13 -1.94 0.63 0.00 0.52 0.00 0.00 34.95 34.29 1y6n s ARG 191 CO 0.68 0.33 1.53 -1.13 0.02 0.00 0.00 175.30 176.73 1y6n n SER 192 N -0.75 4.08 -4.61 0.23 3.41 -1.26 -4.48 113.62 110.23 1y6n n SER 192 Ca -0.06 -2.14 -0.45 0.00 -0.26 0.00 0.00 58.87 55.96 1y6n n SER 192 Cb 0.60 -0.49 -0.02 0.00 -0.26 0.00 0.00 64.21 64.04 1y6n n SER 192 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1y6n n ASN 193 N 1.34 1.67 -4.83 4.04 4.13 -1.26 -4.95 115.26 115.39 1y6n n ASN 193 Ca 0.23 1.18 -0.30 0.00 1.68 0.00 0.00 54.58 57.37 1y6n n ASN 193 Cb 0.68 -1.33 0.08 0.00 -1.54 0.00 0.00 39.78 37.67 1y6n n ASN 193 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 1y6n s LYS 194 N -1.43 2.33 0.11 3.52 -2.85 -1.26 -4.84 119.74 115.31 1y6n s LYS 194 Ca 0.60 0.57 0.05 0.00 -1.00 0.00 0.00 55.97 56.19 1y6n s LYS 194 Cb -0.69 -1.95 -0.04 0.00 -2.06 0.00 0.00 37.83 33.10 1y6n s LYS 194 CO 0.59 -1.43 -0.13 0.20 0.10 0.00 0.00 175.35 174.68 1y6n s GLY 195 N -4.06 0.98 -0.21 0.59 0.00 -1.26 -1.38 107.32 101.97 1y6n s GLY 195 Ca 0.60 -1.21 -0.08 0.00 0.00 0.00 0.00 44.72 44.03 1y6n s GLY 195 CO 0.53 -1.27 0.08 -0.29 0.00 0.00 0.00 173.10 172.16 1y6n s MET 196 N -2.52 3.90 0.49 2.90 1.75 0.24 -4.88 119.30 121.18 1y6n s MET 196 Ca 0.06 -0.37 -0.24 0.00 -1.25 0.00 0.00 55.69 53.89 1y6n s MET 196 Cb -0.05 -3.29 -0.07 0.00 2.84 0.00 0.00 34.83 34.26 1y6n s MET 196 CO 0.02 0.11 1.34 -1.58 -0.65 0.00 0.00 175.02 174.26 1y6n s TRP 197 N 0.82 2.50 0.72 4.11 0.52 -1.26 -4.58 118.94 121.78 1y6n s TRP 197 Ca 0.04 1.37 -0.08 0.00 0.02 0.00 0.00 56.10 57.46 1y6n s TRP 197 Cb -0.13 -3.75 0.06 0.00 -1.15 0.00 0.00 33.47 28.49 1y6n s TRP 197 CO 0.02 -2.59 1.04 -1.54 0.02 0.00 0.00 176.95 173.91 1y6n s SER 198 N -0.85 4.80 0.40 2.95 1.04 -0.11 -4.93 113.70 117.00 1y6n s SER 198 Ca 0.65 0.54 -0.23 0.00 0.48 0.00 0.00 55.95 57.40 1y6n s SER 198 Cb -0.39 -1.18 -0.10 0.00 0.10 0.00 0.00 66.02 64.45 1y6n s SER 198 CO 0.48 -1.63 0.98 -1.59 0.98 0.00 0.00 173.24 172.46 1y6n s LYS 199 N -5.30 4.26 0.17 4.02 -2.85 -1.26 -4.57 119.74 114.21 1y6n s LYS 199 Ca 0.60 1.29 -0.31 0.00 -1.00 0.00 0.00 55.97 56.55 1y6n s LYS 199 Cb -0.11 -2.42 -0.17 0.00 -2.06 0.00 0.00 37.83 33.08 1y6n s LYS 199 CO 0.46 -0.02 0.85 -1.91 0.10 0.00 0.00 175.35 174.83 1y6n n GLU 200 N -0.23 0.48 -3.68 1.78 4.07 -1.26 -4.69 120.64 117.10 1y6n n GLU 200 Ca 0.05 0.17 -0.24 0.00 -0.06 0.00 0.00 57.16 57.08 1y6n n GLU 200 Cb 0.52 -1.43 -0.17 0.00 -0.06 0.00 0.00 31.44 30.29 1y6n n GLU 200 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1y6n s GLU 201 N -0.75 0.27 0.35 5.31 2.56 -0.20 -4.93 118.70 121.31 1y6n s GLU 201 Ca 0.70 -0.01 0.08 0.00 0.00 0.00 0.00 54.97 55.74 1y6n s GLU 201 Cb -0.94 -1.41 -0.07 0.00 2.00 0.00 0.00 34.13 33.71 1y6n s GLU 201 CO 0.56 -0.51 -0.06 0.00 -0.56 0.00 0.00 175.26 174.69