#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m4k s SER 9 N 0.00 6.19 -0.07 3.54 0.01 0.72 -4.03 113.70 120.06 1m4k s SER 9 Ca 0.00 0.26 0.00 0.00 1.31 0.00 0.00 55.95 57.52 1m4k s SER 9 Cb 0.00 -1.89 0.02 0.00 0.21 0.00 0.00 66.02 64.37 1m4k s SER 9 CO 0.00 0.22 -0.05 -0.22 0.41 0.00 0.00 173.24 173.60 1m4k s LEU 10 N -2.17 1.18 -0.01 2.44 2.96 -1.26 -1.46 118.68 120.35 1m4k s LEU 10 Ca 0.30 -0.18 -0.02 0.00 -0.22 0.00 0.00 54.13 54.01 1m4k s LEU 10 Cb -0.13 -0.58 0.00 0.00 0.50 0.00 0.00 46.19 45.99 1m4k s LEU 10 CO 0.22 -0.09 0.05 -0.76 -1.32 0.00 0.00 176.35 174.45 1m4k s LEU 11 N 1.28 1.84 0.18 -0.68 1.02 -0.90 -4.96 118.68 116.46 1m4k s LEU 11 Ca -0.05 -0.03 -0.21 0.00 0.02 0.00 0.00 54.13 53.86 1m4k s LEU 11 Cb -0.14 0.23 -0.08 0.00 0.02 0.00 0.00 46.19 46.22 1m4k s LEU 11 CO -0.02 -0.11 0.72 0.00 0.02 0.00 0.00 176.35 176.96 1m4k s ALA 12 N -0.39 3.45 -0.08 4.21 0.00 -1.26 -1.22 121.76 126.47 1m4k s ALA 12 Ca -0.05 0.20 -0.01 0.00 0.00 0.00 0.00 51.96 52.11 1m4k s ALA 12 Cb -0.03 -2.83 0.03 0.00 0.00 0.00 0.00 23.12 20.29 1m4k s ALA 12 CO 0.00 0.33 -0.02 -1.01 0.00 0.00 0.00 175.76 175.06 1m4k s HIS 13 N -1.35 0.83 -0.49 0.00 3.76 0.75 -3.25 115.29 115.54 1m4k s HIS 13 Ca 0.39 -0.28 0.26 0.00 -0.15 0.00 0.00 55.06 55.27 1m4k s HIS 13 Cb -0.19 -0.87 0.93 0.00 1.11 0.00 0.00 32.58 33.56 1m4k s HIS 13 CO 0.22 -0.35 1.76 -1.00 -0.85 0.00 0.00 174.74 174.52 1m4k h PRO 14 N 8.19 0.00 -1.14 8.40 0.13 -1.91 -1.44 132.00 144.24 1m4k h PRO 14 Ca -0.23 0.00 0.37 0.00 -0.87 0.00 0.00 66.00 65.27 1m4k h PRO 14 Cb 1.13 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.12 1m4k h PRO 14 CO 0.31 0.00 0.95 0.20 -0.23 0.00 0.00 178.00 179.22 1m4k s GLY 15 N -3.68 -0.47 0.03 1.56 0.00 -1.20 -5.03 107.32 98.54 1m4k s GLY 15 Ca 0.06 0.92 0.17 0.00 0.00 0.00 0.00 44.72 45.88 1m4k s GLY 15 CO 0.49 0.18 1.55 -1.55 0.00 0.00 0.00 173.10 173.77 1m4k n PRO 16 N -0.48 0.03 -3.33 2.90 -0.04 -1.26 -4.55 135.00 128.26 1m4k n PRO 16 Ca -0.09 0.25 -0.41 0.00 -0.04 0.00 0.00 63.50 63.21 1m4k n PRO 16 Cb 0.63 -1.55 -0.09 0.00 -0.04 0.00 0.00 33.50 32.46 1m4k n PRO 16 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1m4k s LEU 17 N -3.20 4.34 -0.19 1.53 1.43 -1.26 -1.68 118.68 119.65 1m4k s LEU 17 Ca 0.07 -0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.13 1m4k s LEU 17 Cb 0.10 -2.46 0.02 0.00 0.03 0.00 0.00 46.19 43.88 1m4k s LEU 17 CO 0.31 -0.37 -0.18 -0.69 0.23 0.00 0.00 176.35 175.65 1m4k s VAL 18 N 2.19 2.19 0.28 -1.59 1.01 -0.17 -4.96 120.40 119.35 1m4k s VAL 18 Ca 0.15 -0.93 -0.30 0.00 0.00 0.00 0.00 61.98 60.91 1m4k s VAL 18 Cb -0.16 -1.94 -0.11 0.00 0.00 0.00 0.00 36.38 34.17 1m4k s VAL 18 CO 0.12 0.51 1.53 -0.54 0.00 0.00 0.00 175.10 176.71 1m4k s LYS 19 N 1.30 4.18 0.19 2.72 1.02 -1.26 -1.23 119.74 126.65 1m4k s LYS 19 Ca 0.05 2.47 -0.29 0.00 0.02 0.00 0.00 55.97 58.21 1m4k s LYS 19 Cb -0.13 -3.05 -0.17 0.00 -0.52 0.00 0.00 37.83 33.95 1m4k s LYS 19 CO -0.12 -0.54 0.59 0.45 -0.92 0.00 0.00 175.35 174.81 1m4k n SER 20 N 2.14 -1.03 0.00 2.83 2.88 -0.62 -0.77 113.62 119.06 1m4k n SER 20 Ca 0.07 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 1m4k n SER 20 Cb 0.39 -0.96 0.00 0.00 -0.75 0.00 0.00 64.21 62.88 1m4k n SER 20 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1m4k n GLU 21 N 1.04 -0.47 -2.44 -1.46 1.02 0.10 -4.80 120.64 113.63 1m4k n GLU 21 Ca 0.18 0.12 -0.18 0.00 -0.02 0.00 0.00 57.16 57.25 1m4k n GLU 21 Cb 0.24 -4.55 0.08 0.00 -0.02 0.00 0.00 31.44 27.19 1m4k n GLU 21 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1m4k n GLU 22 N -1.31 0.29 -4.29 3.49 1.02 0.05 -4.17 120.64 115.71 1m4k n GLU 22 Ca 0.00 -2.45 -0.23 0.00 -0.02 0.00 0.00 57.16 54.46 1m4k n GLU 22 Cb 0.12 -0.41 -0.12 0.00 -0.02 0.00 0.00 31.44 31.01 1m4k n GLU 22 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1m4k s THR 23 N -2.35 1.70 0.16 2.62 -4.23 -1.26 0.20 115.64 112.47 1m4k s THR 23 Ca 0.54 -1.66 0.04 0.00 -1.18 0.00 0.00 61.69 59.43 1m4k s THR 23 Cb -0.04 -1.63 -0.05 0.00 1.34 0.00 0.00 72.50 72.13 1m4k s THR 23 CO 0.35 -0.17 -0.09 0.54 -0.54 0.00 0.00 174.62 174.71 1m4k s VAL 24 N -1.51 1.14 -0.14 2.29 0.11 -1.19 -4.91 120.40 116.18 1m4k s VAL 24 Ca 0.09 -2.06 0.01 0.00 -2.93 0.00 0.00 61.98 57.10 1m4k s VAL 24 Cb -0.08 -1.90 0.00 0.00 -1.53 0.00 0.00 36.38 32.87 1m4k s VAL 24 CO 0.05 -0.70 -0.19 -0.63 -3.33 0.00 0.00 175.10 170.30 1m4k s ILE 25 N -3.35 2.39 -0.25 7.04 1.01 -0.54 -0.40 121.20 127.09 1m4k s ILE 25 Ca 0.18 -0.87 -0.08 0.00 0.00 0.00 0.00 60.65 59.88 1m4k s ILE 25 Cb 0.03 -1.98 -0.03 0.00 0.01 0.00 0.00 42.46 40.48 1m4k s ILE 25 CO 0.01 0.53 0.10 -0.76 0.00 0.00 0.00 174.94 174.83 1m4k s LEU 26 N 0.77 3.61 -0.20 2.97 1.43 -0.04 -0.18 118.68 127.04 1m4k s LEU 26 Ca -0.07 -0.14 -0.06 0.00 -1.03 0.00 0.00 54.13 52.83 1m4k s LEU 26 Cb -0.16 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 1m4k s LEU 26 CO -0.00 -0.03 0.03 -1.58 0.23 0.00 0.00 176.35 175.00 1m4k s GLN 27 N 1.59 3.75 -0.18 1.70 0.74 -0.36 -0.53 119.66 126.37 1m4k s GLN 27 Ca 0.06 -0.45 -0.08 0.00 0.05 0.00 0.00 55.36 54.94 1m4k s GLN 27 Cb -0.15 -3.15 -0.04 0.00 1.10 0.00 0.00 33.01 30.76 1m4k s GLN 27 CO 0.05 0.09 0.07 0.00 -0.55 0.00 0.00 175.29 174.96 1m4k s TRP 29 N 0.35 -0.10 0.23 0.00 1.48 -0.54 0.80 118.94 121.16 1m4k s TRP 29 Ca 0.04 0.01 -0.19 0.00 -1.06 0.00 0.00 56.10 54.91 1m4k s TRP 29 Cb -0.12 0.07 0.03 0.00 -1.16 0.00 0.00 33.47 32.29 1m4k s TRP 29 CO -0.00 -0.46 0.59 0.45 -4.06 0.00 0.00 176.95 173.47 1m4k s SER 30 N -1.84 -0.27 0.05 -2.66 0.15 0.23 -0.20 113.70 109.16 1m4k s SER 30 Ca -0.08 -0.52 -0.04 0.00 0.70 0.00 0.00 55.95 56.01 1m4k s SER 30 Cb -0.02 0.63 -0.29 0.00 -1.71 0.00 0.00 66.02 64.63 1m4k s SER 30 CO -0.01 -1.15 1.06 0.44 1.20 0.00 0.00 173.24 174.77 1m4k h ASP 31 N 2.12 0.43 -2.33 5.45 3.32 -1.86 0.19 116.42 123.75 1m4k h ASP 31 Ca -0.26 -0.50 -0.55 0.00 0.02 0.00 0.00 57.03 55.75 1m4k h ASP 31 Cb 1.26 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 40.68 1m4k h ASP 31 CO 0.32 1.40 1.27 -0.69 -1.72 0.00 0.00 179.24 179.82 1m4k s VAL 32 N -2.64 3.11 -0.89 -1.35 1.01 -1.26 -4.47 120.40 113.91 1m4k s VAL 32 Ca -0.06 0.13 -0.25 0.00 0.00 0.00 0.00 61.98 61.81 1m4k s VAL 32 Cb 0.07 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.31 1m4k s VAL 32 CO 0.88 -0.03 1.88 -0.60 0.00 0.00 0.00 175.10 177.23 1m4k s ARG 33 N 4.87 2.69 0.05 2.72 3.52 -1.26 -4.47 118.95 127.07 1m4k s ARG 33 Ca 0.89 -0.31 -0.12 0.00 -0.13 0.00 0.00 55.73 56.06 1m4k s ARG 33 Cb -0.38 -5.03 -0.06 0.00 -1.56 0.00 0.00 34.95 27.92 1m4k s ARG 33 CO 0.38 -3.18 0.41 -0.06 -0.81 0.00 0.00 175.30 172.04 1m4k s PHE 34 N 9.37 3.65 -0.09 5.12 0.08 -1.26 -4.97 117.98 129.88 1m4k s PHE 34 Ca 0.67 0.90 0.15 0.00 0.12 0.00 0.00 56.93 58.76 1m4k s PHE 34 Cb -0.06 -2.23 -0.12 0.00 -0.57 0.00 0.00 43.02 40.04 1m4k s PHE 34 CO 0.00 0.57 0.98 1.05 -0.10 0.00 0.00 175.22 177.73 1m4k h GLU 35 N 4.17 0.00 -5.43 0.44 4.11 -1.80 -3.40 114.58 112.66 1m4k h GLU 35 Ca -0.50 0.00 -0.42 0.00 0.07 0.00 0.00 59.36 58.51 1m4k h GLU 35 Cb 1.21 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.31 1m4k h GLU 35 CO 0.64 0.45 -0.73 -1.01 0.07 0.00 0.00 179.01 178.43 1m4k s HIS 36 N -2.85 1.57 -0.03 2.06 3.76 -0.61 0.43 115.29 119.63 1m4k s HIS 36 Ca -0.01 -0.62 -0.01 0.00 -0.15 0.00 0.00 55.06 54.27 1m4k s HIS 36 Cb 0.08 -0.75 0.03 0.00 1.11 0.00 0.00 32.58 33.05 1m4k s HIS 36 CO 0.80 0.27 0.06 -0.06 -0.85 0.00 0.00 174.74 174.96 1m4k s PHE 37 N -2.98 -0.03 -0.19 1.40 0.08 -0.84 -1.84 117.98 113.59 1m4k s PHE 37 Ca 0.20 0.22 -0.01 0.00 0.12 0.00 0.00 56.93 57.46 1m4k s PHE 37 Cb -0.00 -0.15 0.01 0.00 -0.57 0.00 0.00 43.02 42.31 1m4k s PHE 37 CO 0.05 -0.10 -0.14 -0.51 -0.10 0.00 0.00 175.22 174.42 1m4k s LEU 38 N 0.88 2.43 -0.34 -0.37 2.01 0.15 -1.80 118.68 121.64 1m4k s LEU 38 Ca -0.07 -0.54 -0.15 0.00 0.01 0.00 0.00 54.13 53.38 1m4k s LEU 38 Cb -0.10 -1.57 -0.01 0.00 0.01 0.00 0.00 46.19 44.51 1m4k s LEU 38 CO -0.03 0.01 0.35 -0.22 1.01 0.00 0.00 176.35 177.47 1m4k s LEU 39 N 1.25 4.46 -0.12 1.79 0.20 0.07 -0.95 118.68 125.38 1m4k s LEU 39 Ca 0.03 -0.27 -0.02 0.00 0.69 0.00 0.00 54.13 54.57 1m4k s LEU 39 Cb -0.14 -2.32 -0.03 0.00 -0.43 0.00 0.00 46.19 43.27 1m4k s LEU 39 CO -0.07 -0.34 -0.05 -2.28 -0.29 0.00 0.00 176.35 173.32 1m4k s HIS 40 N 1.99 2.99 -0.19 5.38 5.65 0.13 -0.79 115.29 130.46 1m4k s HIS 40 Ca 0.11 -0.20 -0.05 0.00 0.25 0.00 0.00 55.06 55.18 1m4k s HIS 40 Cb -0.17 -1.86 -0.03 0.00 -1.18 0.00 0.00 32.58 29.34 1m4k s HIS 40 CO 0.12 0.10 0.00 0.50 -0.65 0.00 0.00 174.74 174.80 1m4k s ARG 41 N -0.08 3.70 0.54 2.88 3.52 -0.53 -0.74 118.95 128.23 1m4k s ARG 41 Ca 0.01 -0.49 -0.08 0.00 -0.13 0.00 0.00 55.73 55.04 1m4k s ARG 41 Cb -0.13 -3.06 0.12 0.00 -1.56 0.00 0.00 34.95 30.32 1m4k s ARG 41 CO 0.03 0.12 0.73 0.39 -0.81 0.00 0.00 175.30 175.76 1m4k n GLU 42 N 3.93 -0.60 0.00 5.12 1.02 -0.25 -2.28 120.64 127.58 1m4k n GLU 42 Ca -0.17 -1.24 0.00 0.00 -0.02 0.00 0.00 57.16 55.73 1m4k n GLU 42 Cb 0.52 -0.72 0.00 0.00 -0.02 0.00 0.00 31.44 31.22 1m4k n GLU 42 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1m4k n GLY 43 N 0.10 -1.82 0.00 0.62 0.00 -1.26 -3.99 105.19 98.84 1m4k n GLY 43 Ca 0.10 -1.81 0.00 0.00 0.00 0.00 0.00 46.02 44.31 1m4k n GLY 43 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1m4k n LYS 44 N 0.00 1.00 -1.78 1.61 2.85 -1.26 -2.44 118.16 118.14 1m4k n LYS 44 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 1m4k n LYS 44 Cb 0.00 -1.01 0.06 0.00 -0.65 0.00 0.00 35.03 33.43 1m4k n LYS 44 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1m4k n TYR 45 N -0.51 0.64 -1.64 5.58 4.01 -1.26 -5.09 117.16 118.88 1m4k n TYR 45 Ca 0.01 -1.30 -0.41 0.00 -0.16 0.00 0.00 57.90 56.03 1m4k n TYR 45 Cb 0.00 -0.21 0.01 0.00 -0.31 0.00 0.00 39.34 38.83 1m4k n TYR 45 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76 1m4k n LYS 46 N -0.20 1.55 -3.80 -0.72 2.85 -1.02 -4.87 118.16 111.94 1m4k n LYS 46 Ca 0.12 0.55 -0.03 0.00 -1.05 0.00 0.00 58.31 57.90 1m4k n LYS 46 Cb 0.96 -2.14 -0.00 0.00 -0.65 0.00 0.00 35.03 33.20 1m4k n LYS 46 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1m4k s ASP 47 N -0.65 -0.10 -0.08 -5.58 -1.08 -0.97 -4.99 116.67 103.21 1m4k s ASP 47 Ca 0.62 -0.52 -0.06 0.00 -0.52 0.00 0.00 52.55 52.07 1m4k s ASP 47 Cb -0.55 0.50 0.03 0.00 -1.46 0.00 0.00 42.92 41.43 1m4k s ASP 47 CO 0.57 -0.95 0.21 -0.89 0.52 0.00 0.00 175.17 174.64 1m4k s THR 48 N -2.85 -0.02 0.09 1.71 2.01 -1.26 -1.45 115.64 113.87 1m4k s THR 48 Ca 0.16 0.06 0.06 0.00 0.31 0.00 0.00 61.69 62.27 1m4k s THR 48 Cb -0.02 -0.32 -0.04 0.00 0.01 0.00 0.00 72.50 72.14 1m4k s THR 48 CO 0.04 0.02 -0.05 -0.76 -0.69 0.00 0.00 174.62 173.18 1m4k s LEU 49 N 0.55 3.26 -0.04 4.42 1.43 0.03 -4.92 118.68 123.39 1m4k s LEU 49 Ca -0.04 -0.26 0.04 0.00 -1.03 0.00 0.00 54.13 52.84 1m4k s LEU 49 Cb -0.05 -2.00 -0.00 0.00 0.03 0.00 0.00 46.19 44.17 1m4k s LEU 49 CO -0.03 0.19 -0.15 -2.28 0.23 0.00 0.00 176.35 174.31 1m4k s HIS 50 N -1.24 1.53 -0.01 0.29 5.65 -1.26 -0.75 115.29 119.50 1m4k s HIS 50 Ca 0.23 -0.44 -0.01 0.00 0.25 0.00 0.00 55.06 55.09 1m4k s HIS 50 Cb -0.11 -1.05 0.00 0.00 -1.18 0.00 0.00 32.58 30.24 1m4k s HIS 50 CO 0.15 -0.16 0.03 -0.51 -0.65 0.00 0.00 174.74 173.60 1m4k s LEU 51 N 0.11 1.90 0.25 8.88 1.43 -0.74 -5.01 118.68 125.50 1m4k s LEU 51 Ca -0.04 0.03 -0.30 0.00 -1.03 0.00 0.00 54.13 52.79 1m4k s LEU 51 Cb -0.11 0.10 -0.09 0.00 0.03 0.00 0.00 46.19 46.12 1m4k s LEU 51 CO 0.02 -0.03 1.25 -0.63 0.23 0.00 0.00 176.35 177.19 1m4k s ILE 52 N -0.06 3.17 0.96 -0.59 -1.09 -1.26 -1.98 121.20 120.35 1m4k s ILE 52 Ca -0.01 1.06 -0.12 0.00 -2.23 0.00 0.00 60.65 59.35 1m4k s ILE 52 Cb -0.01 -3.68 0.17 0.00 -1.58 0.00 0.00 42.46 37.36 1m4k s ILE 52 CO 0.00 0.21 1.10 -0.83 -1.23 0.00 0.00 174.94 174.19 1m4k s GLY 53 N -0.18 1.58 -0.04 6.18 0.00 0.17 -4.87 107.32 110.16 1m4k s GLY 53 Ca 0.51 -0.35 -0.01 0.00 0.00 0.00 0.00 44.72 44.87 1m4k s GLY 53 CO 0.43 0.23 0.07 1.85 0.00 0.00 0.00 173.10 175.68 1m4k s GLU 54 N -5.03 0.03 -0.08 2.90 2.12 -0.80 -4.95 118.70 112.88 1m4k s GLU 54 Ca 0.65 0.22 0.04 0.00 0.36 0.00 0.00 54.97 56.24 1m4k s GLU 54 Cb -0.18 -0.16 -0.01 0.00 0.26 0.00 0.00 34.13 34.05 1m4k s GLU 54 CO 0.56 -0.13 -0.21 -1.01 -0.54 0.00 0.00 175.26 173.93 1m4k s HIS 55 N 0.85 2.57 0.00 5.30 3.76 -1.25 -0.99 115.29 125.53 1m4k s HIS 55 Ca -0.07 -0.73 0.00 0.00 -0.15 0.00 0.00 55.06 54.11 1m4k s HIS 55 Cb -0.09 -1.68 0.00 0.00 1.11 0.00 0.00 32.58 31.92 1m4k s HIS 55 CO -0.03 -0.22 0.00 0.72 -0.85 0.00 0.00 174.74 174.35 1m4k n HIS 56 N 3.13 0.00 -0.29 1.40 -0.00 -1.02 -4.90 115.22 113.54 1m4k n HIS 56 Ca -0.18 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.51 1m4k n HIS 56 Cb 0.52 0.00 -0.05 0.00 -0.00 0.00 0.00 29.99 30.47 1m4k n HIS 56 CO 0.00 0.00 0.00 -0.40 -0.00 0.00 0.00 176.34 175.94 1m4k n ASP 57 N 0.00 1.66 -0.25 0.41 5.75 -1.26 -4.26 116.55 118.60 1m4k n ASP 57 Ca 0.00 -1.76 -0.03 0.00 -0.01 0.00 0.00 54.79 52.99 1m4k n ASP 57 Cb 0.00 -0.43 -0.01 0.00 -1.03 0.00 0.00 41.12 39.64 1m4k n ASP 57 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1m4k n GLY 58 N 2.70 0.64 3.23 6.12 0.00 -1.26 -5.04 105.19 111.58 1m4k n GLY 58 Ca 0.12 -0.80 -0.22 0.00 0.00 0.00 0.00 46.02 45.11 1m4k n GLY 58 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1m4k s VAL 59 N -2.10 1.49 -0.13 1.61 1.01 -1.26 -4.77 120.40 116.25 1m4k s VAL 59 Ca 0.00 -1.36 -0.04 0.00 0.00 0.00 0.00 61.98 60.58 1m4k s VAL 59 Cb 0.00 -1.36 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 1m4k s VAL 59 CO 0.00 -0.04 0.00 -0.44 0.00 0.00 0.00 175.10 174.62 1m4k s SER 60 N -1.64 5.18 0.08 3.32 0.01 0.68 -2.42 113.70 118.91 1m4k s SER 60 Ca 0.04 0.04 -0.18 0.00 1.31 0.00 0.00 55.95 57.16 1m4k s SER 60 Cb -0.10 -1.68 0.04 0.00 0.21 0.00 0.00 66.02 64.50 1m4k s SER 60 CO 0.03 0.27 0.43 -1.59 0.41 0.00 0.00 173.24 172.79 1m4k s LYS 61 N -0.22 1.02 -0.07 12.44 -2.85 -0.16 0.78 119.74 130.68 1m4k s LYS 61 Ca 0.05 -0.49 -0.06 0.00 -1.00 0.00 0.00 55.97 54.48 1m4k s LYS 61 Cb -0.12 0.45 0.02 0.00 -2.06 0.00 0.00 37.83 36.12 1m4k s LYS 61 CO 0.02 -0.38 0.19 0.00 0.10 0.00 0.00 175.35 175.28 1m4k s ALA 62 N -3.07 -0.46 -0.38 0.59 0.00 0.24 -1.91 121.76 116.78 1m4k s ALA 62 Ca -0.02 0.58 -0.07 0.00 0.00 0.00 0.00 51.96 52.45 1m4k s ALA 62 Cb 0.00 -0.34 0.06 0.00 0.00 0.00 0.00 23.12 22.84 1m4k s ALA 62 CO -0.07 -0.10 0.17 -0.80 0.00 0.00 0.00 175.76 174.96 1m4k s ASN 63 N 0.27 5.42 -0.17 0.00 0.02 -1.26 -0.16 114.94 119.06 1m4k s ASN 63 Ca -0.01 -1.38 -0.17 0.00 -1.02 0.00 0.00 52.86 50.27 1m4k s ASN 63 Cb -0.03 -1.91 -0.04 0.00 0.02 0.00 0.00 41.25 39.30 1m4k s ASN 63 CO -0.01 -0.43 0.45 -0.36 0.02 0.00 0.00 177.10 176.77 1m4k s PHE 64 N 1.38 3.42 -0.46 2.20 0.40 0.31 -4.92 117.98 120.32 1m4k s PHE 64 Ca 0.01 0.74 -0.21 0.00 -0.60 0.00 0.00 56.93 56.87 1m4k s PHE 64 Cb -0.21 -2.56 0.03 0.00 0.51 0.00 0.00 43.02 40.79 1m4k s PHE 64 CO 0.02 0.04 0.70 0.45 0.70 0.00 0.00 175.22 177.13 1m4k s SER 65 N 0.89 6.34 -0.70 1.36 0.15 -1.26 -0.87 113.70 119.61 1m4k s SER 65 Ca 0.22 -0.33 -0.24 0.00 0.70 0.00 0.00 55.95 56.30 1m4k s SER 65 Cb -0.15 -2.34 0.06 0.00 -1.71 0.00 0.00 66.02 61.87 1m4k s SER 65 CO 0.09 -0.86 1.09 -0.63 1.20 0.00 0.00 173.24 174.13 1m4k s ILE 66 N 3.02 4.11 0.45 6.45 -1.09 0.46 -4.97 121.20 129.63 1m4k s ILE 66 Ca 0.24 -0.12 -0.10 0.00 -2.23 0.00 0.00 60.65 58.45 1m4k s ILE 66 Cb -0.14 -4.78 -0.08 0.00 -1.58 0.00 0.00 42.46 35.88 1m4k s ILE 66 CO 0.19 -1.61 -0.52 0.61 -1.23 0.00 0.00 174.94 172.38 1m4k n GLY 67 N 5.38 -1.75 2.44 6.18 0.00 -1.26 -3.18 105.19 113.00 1m4k n GLY 67 Ca -0.00 -0.22 -0.44 0.00 0.00 0.00 0.00 46.02 45.36 1m4k n GLY 67 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1m4k n PRO 68 N 1.12 0.00 -1.66 1.61 -0.02 -1.26 -4.61 135.00 130.18 1m4k n PRO 68 Ca -0.01 0.00 -0.49 0.00 -2.02 0.00 0.00 63.50 60.98 1m4k n PRO 68 Cb 0.29 -1.00 -0.05 0.00 -0.02 0.00 0.00 33.50 32.72 1m4k n PRO 68 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 1m4k n MET 69 N 3.15 1.86 -4.19 -0.52 1.56 0.54 -4.65 117.12 114.87 1m4k n MET 69 Ca 0.24 0.68 -0.12 0.00 -0.27 0.00 0.00 57.70 58.22 1m4k n MET 69 Cb -0.04 -2.43 -0.10 0.00 2.15 0.00 0.00 33.22 32.80 1m4k n MET 69 CO 0.00 0.00 0.00 -1.64 -0.73 0.00 0.00 175.97 173.60 1m4k s MET 70 N 2.04 0.90 0.27 2.12 -1.94 -1.26 0.01 119.30 121.43 1m4k s MET 70 Ca 0.86 -1.33 -0.00 0.00 -1.71 0.00 0.00 55.69 53.51 1m4k s MET 70 Cb -0.78 -0.39 0.55 0.00 2.01 0.00 0.00 34.83 36.22 1m4k s MET 70 CO 0.47 0.03 1.77 0.37 -0.01 0.00 0.00 175.02 177.64 1m4k h GLN 71 N 3.05 0.63 0.00 2.03 4.15 -1.97 -0.15 115.11 122.84 1m4k h GLN 71 Ca -0.36 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.01 1m4k h GLN 71 Cb 1.18 -0.14 -0.00 0.00 0.21 0.00 0.00 27.48 28.72 1m4k h GLN 71 CO 0.62 0.41 -0.07 0.38 -1.93 0.00 0.00 178.83 178.24 1m4k h ASP 72 N 0.65 0.00 0.51 -0.69 2.03 -1.99 -2.29 116.42 114.63 1m4k h ASP 72 Ca 0.47 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.77 1m4k h ASP 72 Cb 0.66 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.16 1m4k h ASP 72 CO -0.36 0.07 -0.13 0.18 -1.03 0.00 0.00 179.24 177.97 1m4k n LEU 73 N -3.69 0.36 -4.81 0.15 4.77 -0.07 -4.87 117.00 108.83 1m4k n LEU 73 Ca -0.02 0.11 -0.37 0.00 -0.03 0.00 0.00 56.01 55.70 1m4k n LEU 73 Cb 0.18 -0.26 -0.06 0.00 -2.33 0.00 0.00 43.42 40.95 1m4k n LEU 73 CO 0.29 0.07 0.36 0.00 -1.33 0.00 0.00 177.39 176.77 1m4k s ALA 74 N -2.65 3.50 0.00 -1.18 0.00 -0.87 -4.95 121.76 115.61 1m4k s ALA 74 Ca 0.24 0.12 0.00 0.00 0.00 0.00 0.00 51.96 52.31 1m4k s ALA 74 Cb 0.20 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.57 1m4k s ALA 74 CO 0.51 0.36 0.00 0.41 0.00 0.00 0.00 175.76 177.05 1m4k n GLY 75 N 1.18 0.02 3.73 0.00 0.00 -0.12 -4.99 105.19 105.02 1m4k n GLY 75 Ca -0.06 -1.55 -0.39 0.00 0.00 0.00 0.00 46.02 44.02 1m4k n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1m4k s THR 76 N -2.71 4.99 0.22 2.61 2.01 -1.26 -1.05 115.64 120.45 1m4k s THR 76 Ca 0.00 1.35 0.12 0.00 0.31 0.00 0.00 61.69 63.46 1m4k s THR 76 Cb 0.00 -3.99 -0.05 0.00 0.01 0.00 0.00 72.50 68.48 1m4k s THR 76 CO 0.00 0.32 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.72 1m4k s TYR 77 N 0.40 2.31 -0.17 4.92 2.02 0.16 -1.08 117.35 125.91 1m4k s TYR 77 Ca 0.34 -0.34 -0.18 0.00 -0.37 0.00 0.00 57.07 56.52 1m4k s TYR 77 Cb -0.18 -1.09 0.05 0.00 -0.40 0.00 0.00 41.96 40.34 1m4k s TYR 77 CO 0.17 0.58 0.51 1.03 -1.57 0.00 0.00 175.55 176.27 1m4k s ARG 78 N -2.97 0.63 0.35 -0.62 0.52 0.08 -1.30 118.95 115.63 1m4k s ARG 78 Ca 0.24 0.63 0.09 0.00 -0.52 0.00 0.00 55.73 56.17 1m4k s ARG 78 Cb -0.07 0.30 -0.06 0.00 0.52 0.00 0.00 34.95 35.64 1m4k s ARG 78 CO 0.12 -0.09 -0.03 0.00 0.02 0.00 0.00 175.30 175.32 1m4k s TYR 80 N -2.59 0.52 0.27 0.00 2.02 -0.12 -1.42 117.35 116.02 1m4k s TYR 80 Ca 0.34 -0.32 -0.00 0.00 -0.37 0.00 0.00 57.07 56.72 1m4k s TYR 80 Cb 0.02 -0.32 -0.04 0.00 -0.40 0.00 0.00 41.96 41.22 1m4k s TYR 80 CO 0.18 -0.06 0.46 0.20 -1.57 0.00 0.00 175.55 174.76 1m4k s GLY 81 N -0.95 1.57 0.01 0.71 0.00 -1.26 0.31 107.32 107.72 1m4k s GLY 81 Ca -0.06 -0.88 -0.21 0.00 0.00 0.00 0.00 44.72 43.58 1m4k s GLY 81 CO 0.00 -0.83 0.47 -0.45 0.00 0.00 0.00 173.10 172.30 1m4k s SER 82 N -3.56 -0.38 0.00 1.64 0.15 -0.76 -0.91 113.70 109.87 1m4k s SER 82 Ca 0.39 0.22 0.00 0.00 0.70 0.00 0.00 55.95 57.26 1m4k s SER 82 Cb -0.10 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.65 1m4k s SER 82 CO 0.31 -0.62 0.48 1.33 1.20 0.00 0.00 173.24 175.95 1m4k n VAL 83 N 0.75 0.22 -3.23 4.45 0.24 -1.26 -1.57 118.33 117.93 1m4k n VAL 83 Ca -0.19 -0.40 -0.21 0.00 -2.04 0.00 0.00 64.34 61.49 1m4k n VAL 83 Cb 0.58 1.15 0.05 0.00 -1.47 0.00 0.00 33.84 34.15 1m4k n VAL 83 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1m4k n THR 84 N -0.11 0.00 -3.82 3.34 -2.24 -1.26 -4.91 114.28 105.27 1m4k n THR 84 Ca 0.00 -2.03 -0.32 0.00 -2.27 0.00 0.00 64.05 59.43 1m4k n THR 84 Cb 0.20 -0.40 -0.04 0.00 -2.10 0.00 0.00 70.33 67.99 1m4k n THR 84 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1m4k s HIS 85 N -2.70 3.52 0.19 4.78 0.00 -1.26 -4.75 115.29 115.06 1m4k s HIS 85 Ca 0.55 0.40 -0.32 0.00 -3.00 0.00 0.00 55.06 52.69 1m4k s HIS 85 Cb -0.04 -1.87 -0.16 0.00 -4.00 0.00 0.00 32.58 26.51 1m4k s HIS 85 CO 0.35 0.55 1.07 0.45 -1.00 0.00 0.00 174.74 176.16 1m4k n SER 86 N 0.38 1.03 -4.68 7.38 2.88 -1.26 -3.49 113.62 115.87 1m4k n SER 86 Ca -0.05 1.15 -0.42 0.00 -1.33 0.00 0.00 58.87 58.21 1m4k n SER 86 Cb 0.52 -1.19 -0.03 0.00 -0.75 0.00 0.00 64.21 62.76 1m4k n SER 86 CO 0.00 0.00 0.00 -2.84 -1.23 0.00 0.00 175.04 170.97 1m4k s PRO 87 N -0.63 4.25 0.24 -1.46 0.02 -1.26 -5.11 135.00 131.04 1m4k s PRO 87 Ca 0.70 2.04 -0.30 0.00 0.02 0.00 0.00 61.00 63.47 1m4k s PRO 87 Cb -0.85 -3.67 -0.09 0.00 0.02 0.00 0.00 34.50 29.91 1m4k s PRO 87 CO 0.54 -0.66 1.33 0.71 -0.33 0.00 0.00 177.00 178.59 1m4k s TYR 88 N 2.83 3.17 -0.39 6.54 2.02 -1.23 -4.96 117.35 125.33 1m4k s TYR 88 Ca 0.67 1.22 -0.20 0.00 -0.37 0.00 0.00 57.07 58.39 1m4k s TYR 88 Cb -0.32 -3.66 0.01 0.00 -0.40 0.00 0.00 41.96 37.59 1m4k s TYR 88 CO 0.27 -2.03 0.60 -1.14 -1.57 0.00 0.00 175.55 171.68 1m4k s GLN 89 N -0.50 3.48 0.22 -0.62 0.74 -1.26 -5.01 119.66 116.71 1m4k s GLN 89 Ca 0.56 -0.21 -0.25 0.00 0.05 0.00 0.00 55.36 55.50 1m4k s GLN 89 Cb -0.38 -3.87 -0.09 0.00 1.10 0.00 0.00 33.01 29.77 1m4k s GLN 89 CO 0.42 -0.83 0.83 -0.51 -0.55 0.00 0.00 175.29 174.65 1m4k s LEU 90 N 2.65 4.51 0.00 3.68 1.02 -1.26 -4.03 118.68 125.25 1m4k s LEU 90 Ca 0.22 1.70 -0.02 0.00 0.02 0.00 0.00 54.13 56.05 1m4k s LEU 90 Cb -0.15 -3.55 0.02 0.00 0.02 0.00 0.00 46.19 42.54 1m4k s LEU 90 CO 0.16 0.12 0.12 -1.54 0.02 0.00 0.00 176.35 175.23 1m4k n SER 91 N 1.22 -0.11 -4.77 2.29 3.41 -0.09 -5.01 113.62 110.56 1m4k n SER 91 Ca -0.03 -0.99 -0.38 0.00 -0.26 0.00 0.00 58.87 57.20 1m4k n SER 91 Cb 0.49 -0.10 -0.04 0.00 -0.26 0.00 0.00 64.21 64.30 1m4k n SER 91 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1m4k s ALA 92 N -3.89 3.24 0.71 7.33 0.00 -1.26 -4.80 121.76 123.09 1m4k s ALA 92 Ca 0.07 0.77 -0.15 0.00 0.00 0.00 0.00 51.96 52.65 1m4k s ALA 92 Cb -0.00 -3.29 0.03 0.00 0.00 0.00 0.00 23.12 19.86 1m4k s ALA 92 CO 0.05 -0.15 1.16 -1.25 0.00 0.00 0.00 175.76 175.58 1m4k s PRO 93 N -1.96 2.33 0.99 0.00 0.04 -1.26 -4.56 135.00 130.57 1m4k s PRO 93 Ca 0.51 1.59 -0.16 0.00 0.04 0.00 0.00 61.00 62.98 1m4k s PRO 93 Cb -0.26 -1.87 0.20 0.00 0.04 0.00 0.00 34.50 32.60 1m4k s PRO 93 CO 0.33 -1.66 1.25 -1.54 0.04 0.00 0.00 177.00 175.43 1m4k s SER 94 N -2.31 2.90 0.52 6.66 1.04 -0.51 -4.77 113.70 117.23 1m4k s SER 94 Ca 0.71 0.45 -0.21 0.00 0.48 0.00 0.00 55.95 57.38 1m4k s SER 94 Cb -0.25 -0.62 -0.06 0.00 0.10 0.00 0.00 66.02 65.19 1m4k s SER 94 CO 0.45 -2.88 1.18 -1.81 0.98 0.00 0.00 173.24 171.15 1m4k s ASP 95 N -4.60 5.78 0.66 7.02 1.01 -1.26 -4.72 116.67 120.56 1m4k s ASP 95 Ca 0.71 2.32 -0.16 0.00 0.71 0.00 0.00 52.55 56.14 1m4k s ASP 95 Cb -0.07 -2.60 0.00 0.00 1.01 0.00 0.00 42.92 41.27 1m4k s ASP 95 CO 0.53 -1.18 1.14 -2.16 0.21 0.00 0.00 175.17 173.71 1m4k s PRO 96 N -3.01 2.68 -0.05 8.23 0.04 -1.26 -4.75 135.00 136.89 1m4k s PRO 96 Ca 0.70 1.54 -0.02 0.00 0.04 0.00 0.00 61.00 63.26 1m4k s PRO 96 Cb -0.28 -1.92 0.04 0.00 0.04 0.00 0.00 34.50 32.37 1m4k s PRO 96 CO 0.33 -1.37 0.09 -1.17 0.04 0.00 0.00 177.00 174.92 1m4k s LEU 97 N -4.79 0.36 0.07 -3.56 2.96 -0.42 -4.95 118.68 108.35 1m4k s LEU 97 Ca 0.70 0.16 -0.18 0.00 -0.22 0.00 0.00 54.13 54.59 1m4k s LEU 97 Cb -0.24 0.05 -0.07 0.00 0.50 0.00 0.00 46.19 46.43 1m4k s LEU 97 CO 0.40 -0.21 0.54 -1.81 -1.32 0.00 0.00 176.35 173.96 1m4k s ASP 98 N 1.83 7.01 -0.06 3.68 1.01 -1.26 -0.66 116.67 128.21 1m4k s ASP 98 Ca -0.00 1.20 0.05 0.00 0.71 0.00 0.00 52.55 54.50 1m4k s ASP 98 Cb -0.12 -2.34 -0.00 0.00 1.01 0.00 0.00 42.92 41.47 1m4k s ASP 98 CO -0.04 0.27 -0.21 -0.63 0.21 0.00 0.00 175.17 174.78 1m4k s ILE 99 N -1.13 1.73 0.12 0.77 -1.09 -0.22 -4.76 121.20 116.63 1m4k s ILE 99 Ca 0.29 -0.87 0.06 0.00 -2.23 0.00 0.00 60.65 57.90 1m4k s ILE 99 Cb -0.19 -1.49 -0.04 0.00 -1.58 0.00 0.00 42.46 39.16 1m4k s ILE 99 CO 0.18 0.49 -0.14 0.68 -1.23 0.00 0.00 174.94 174.92 1m4k s VAL 100 N 0.13 1.32 -0.19 2.92 -7.23 -0.67 -0.94 120.40 115.73 1m4k s VAL 100 Ca -0.09 -1.70 -0.10 0.00 -1.81 0.00 0.00 61.98 58.29 1m4k s VAL 100 Cb -0.14 -1.51 -0.05 0.00 0.56 0.00 0.00 36.38 35.24 1m4k s VAL 100 CO 0.04 -0.41 0.13 -0.51 -0.31 0.00 0.00 175.10 174.04 1m4k s ILE 101 N -2.09 5.37 0.51 -0.62 2.07 -0.47 -1.00 121.20 124.96 1m4k s ILE 101 Ca 0.08 0.17 0.05 0.00 -1.41 0.00 0.00 60.65 59.55 1m4k s ILE 101 Cb -0.05 -3.44 0.01 0.00 0.13 0.00 0.00 42.46 39.10 1m4k s ILE 101 CO 0.03 0.45 0.28 0.42 -1.91 0.00 0.00 174.94 174.21 1m4k s THR 102 N 0.29 1.73 0.00 4.00 -4.23 -0.37 -0.99 115.64 116.08 1m4k s THR 102 Ca 0.08 -1.62 0.00 0.00 -1.18 0.00 0.00 61.69 58.97 1m4k s THR 102 Cb -0.11 -2.35 0.00 0.00 1.34 0.00 0.00 72.50 71.37 1m4k s THR 102 CO -0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 1m4k n GLY 103 N -1.55 0.61 0.07 3.99 0.00 -0.76 -1.58 105.19 105.96 1m4k n GLY 103 Ca -0.05 -0.68 0.10 0.00 0.00 0.00 0.00 46.02 45.40 1m4k n GLY 103 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1m4k n LEU 104 N 0.00 1.14 -4.20 0.99 4.77 -0.66 -4.53 117.00 114.51 1m4k n LEU 104 Ca 0.00 -0.54 -0.13 0.00 -0.03 0.00 0.00 56.01 55.31 1m4k n LEU 104 Cb 0.00 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.00 1m4k n LEU 104 CO 0.00 0.27 -0.20 -0.31 -1.33 0.00 0.00 177.39 175.82 1m4k s TYR 105 N -2.91 1.20 0.21 -1.77 2.02 -1.26 -4.90 117.35 109.94 1m4k s TYR 105 Ca 0.09 -1.39 -0.32 0.00 -0.37 0.00 0.00 57.07 55.09 1m4k s TYR 105 Cb 0.16 -0.54 -0.11 0.00 -0.40 0.00 0.00 41.96 41.07 1m4k s TYR 105 CO 0.82 -0.70 1.67 -2.00 -1.57 0.00 0.00 175.55 173.78 1m4k s GLU 106 N -4.04 4.15 0.59 -0.62 2.12 -1.26 -1.06 118.70 118.58 1m4k s GLU 106 Ca 0.38 2.55 -0.20 0.00 0.36 0.00 0.00 54.97 58.07 1m4k s GLU 106 Cb 0.06 -3.08 -0.03 0.00 0.26 0.00 0.00 34.13 31.33 1m4k s GLU 106 CO 0.14 -0.70 1.27 -1.59 -0.54 0.00 0.00 175.26 173.84 1m4k s LYS 107 N 0.92 2.92 0.73 4.30 -2.85 -1.26 -4.58 119.74 119.91 1m4k s LYS 107 Ca 0.72 2.01 -0.02 0.00 -1.00 0.00 0.00 55.97 57.67 1m4k s LYS 107 Cb -0.48 -2.01 0.12 0.00 -2.06 0.00 0.00 37.83 33.40 1m4k s LYS 107 CO 0.34 -1.30 1.01 -1.25 0.10 0.00 0.00 175.35 174.25 1m4k s PRO 108 N -3.20 1.69 -0.11 1.78 0.04 -1.26 -4.94 135.00 129.00 1m4k s PRO 108 Ca 0.77 -0.97 -0.06 0.00 0.04 0.00 0.00 61.00 60.78 1m4k s PRO 108 Cb -0.35 -2.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.86 1m4k s PRO 108 CO 0.39 -1.46 0.12 -1.12 0.04 0.00 0.00 177.00 174.97 1m4k s SER 109 N -4.71 6.18 -0.11 6.66 0.01 0.11 -4.27 113.70 117.57 1m4k s SER 109 Ca 0.66 0.41 0.03 0.00 1.31 0.00 0.00 55.95 58.35 1m4k s SER 109 Cb -0.06 -1.96 -0.00 0.00 0.21 0.00 0.00 66.02 64.21 1m4k s SER 109 CO 0.45 0.40 -0.21 -0.22 0.41 0.00 0.00 173.24 174.06 1m4k s LEU 110 N -1.04 2.21 0.06 2.44 2.96 -1.26 -0.47 118.68 123.58 1m4k s LEU 110 Ca 0.15 -0.52 -0.04 0.00 -0.22 0.00 0.00 54.13 53.50 1m4k s LEU 110 Cb -0.12 -1.46 -0.02 0.00 0.50 0.00 0.00 46.19 45.09 1m4k s LEU 110 CO 0.04 0.15 0.05 -0.94 -1.32 0.00 0.00 176.35 174.33 1m4k s SER 111 N 0.43 0.33 -0.18 3.68 1.04 -0.23 -4.94 113.70 113.83 1m4k s SER 111 Ca -0.15 -0.83 -0.02 0.00 0.48 0.00 0.00 55.95 55.43 1m4k s SER 111 Cb -0.17 0.24 -0.01 0.00 0.10 0.00 0.00 66.02 66.18 1m4k s SER 111 CO 0.06 -0.62 -0.08 0.00 0.98 0.00 0.00 173.24 173.59 1m4k s ALA 112 N -3.68 2.75 0.06 5.32 0.00 -1.26 -0.68 121.76 124.26 1m4k s ALA 112 Ca 0.04 -1.04 -0.33 0.00 0.00 0.00 0.00 51.96 50.64 1m4k s ALA 112 Cb 0.05 -1.50 -0.19 0.00 0.00 0.00 0.00 23.12 21.49 1m4k s ALA 112 CO -0.09 -0.13 1.53 0.37 0.00 0.00 0.00 175.76 177.44 1m4k h GLN 113 N 7.48 -0.92 0.00 0.00 5.75 -0.91 -2.97 115.11 123.55 1m4k h GLN 113 Ca -0.35 0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.21 1m4k h GLN 113 Cb 1.18 0.21 0.00 0.00 1.07 0.00 0.00 27.48 29.94 1m4k h GLN 113 CO 0.59 -0.60 0.00 -2.30 -2.65 0.00 0.00 178.83 173.88 1m4k n PRO 114 N -5.48 0.00 0.00 -2.39 -0.02 -1.26 -5.01 135.00 120.84 1m4k n PRO 114 Ca -0.14 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 1m4k n PRO 114 Cb 0.39 -1.45 0.00 0.00 -0.02 0.00 0.00 33.50 32.42 1m4k n PRO 114 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1m4k n GLY 115 N -0.77 -0.08 0.26 -1.23 0.00 -1.12 -4.99 105.19 97.26 1m4k n GLY 115 Ca 0.00 -1.12 0.09 0.00 0.00 0.00 0.00 46.02 44.99 1m4k n GLY 115 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1m4k h PRO 116 N 0.00 0.00 -4.93 1.61 0.11 -1.85 -3.40 132.00 123.54 1m4k h PRO 116 Ca 0.00 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.45 1m4k h PRO 116 Cb 0.00 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 30.85 1m4k h PRO 116 CO 0.00 0.06 -0.67 0.99 -0.21 0.00 0.00 178.00 178.16 1m4k s THR 117 N -4.77 3.72 0.16 -1.15 2.01 -1.26 -0.01 115.64 114.34 1m4k s THR 117 Ca -0.05 -0.50 0.01 0.00 0.31 0.00 0.00 61.69 61.47 1m4k s THR 117 Cb 0.16 -2.78 -0.04 0.00 0.01 0.00 0.00 72.50 69.85 1m4k s THR 117 CO 0.64 0.30 0.01 0.54 -0.69 0.00 0.00 174.62 175.43 1m4k s VAL 118 N 1.51 0.52 0.05 3.82 0.11 0.82 -4.97 120.40 122.26 1m4k s VAL 118 Ca 0.05 -1.96 -0.20 0.00 -2.93 0.00 0.00 61.98 56.95 1m4k s VAL 118 Cb -0.15 -2.08 -0.06 0.00 -1.53 0.00 0.00 36.38 32.56 1m4k s VAL 118 CO -0.00 -0.49 0.57 -0.76 -3.33 0.00 0.00 175.10 171.09 1m4k s LEU 119 N -3.13 4.49 0.31 2.54 1.43 -1.26 -1.65 118.68 121.40 1m4k s LEU 119 Ca 0.23 1.22 -0.29 0.00 -1.03 0.00 0.00 54.13 54.27 1m4k s LEU 119 Cb 0.06 -2.89 -0.13 0.00 0.03 0.00 0.00 46.19 43.26 1m4k s LEU 119 CO 0.03 0.22 1.22 0.00 0.23 0.00 0.00 176.35 178.05 1m4k n ALA 120 N 2.04 0.77 0.00 4.21 0.00 -1.26 -0.69 120.51 125.58 1m4k n ALA 120 Ca -0.09 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.73 1m4k n ALA 120 Cb 0.51 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.78 1m4k n ALA 120 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m4k n GLY 121 N 1.14 3.15 3.87 0.00 0.00 0.20 -4.90 105.19 108.65 1m4k n GLY 121 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1m4k n GLY 121 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1m4k s GLU 122 N -0.55 3.83 0.13 1.61 0.41 0.13 -4.50 118.70 119.77 1m4k s GLU 122 Ca 0.00 0.36 -0.28 0.00 -0.41 0.00 0.00 54.97 54.64 1m4k s GLU 122 Cb 0.00 -2.57 -0.07 0.00 -1.78 0.00 0.00 34.13 29.71 1m4k s GLU 122 CO 0.00 0.24 0.87 -1.12 -0.49 0.00 0.00 175.26 174.76 1m4k s SER 123 N -2.47 7.44 -0.02 -0.19 0.01 -1.26 0.15 113.70 117.36 1m4k s SER 123 Ca 0.49 1.71 0.03 0.00 1.31 0.00 0.00 55.95 59.49 1m4k s SER 123 Cb -0.11 -2.54 -0.00 0.00 0.21 0.00 0.00 66.02 63.57 1m4k s SER 123 CO 0.22 0.06 -0.11 0.54 0.41 0.00 0.00 173.24 174.35 1m4k s VAL 124 N -0.49 0.92 -0.06 3.43 0.11 -0.99 -4.69 120.40 118.63 1m4k s VAL 124 Ca 0.41 -0.47 0.05 0.00 -2.93 0.00 0.00 61.98 59.04 1m4k s VAL 124 Cb -0.23 -0.79 -0.00 0.00 -1.53 0.00 0.00 36.38 33.83 1m4k s VAL 124 CO 0.28 0.27 -0.20 -0.89 -3.33 0.00 0.00 175.10 171.22 1m4k s THR 125 N -0.07 1.71 -0.12 5.04 2.01 -1.26 -0.81 115.64 122.13 1m4k s THR 125 Ca 0.01 -0.86 -0.06 0.00 0.31 0.00 0.00 61.69 61.09 1m4k s THR 125 Cb -0.07 -1.46 -0.04 0.00 0.01 0.00 0.00 72.50 70.94 1m4k s THR 125 CO 0.00 0.48 0.09 -0.76 -0.69 0.00 0.00 174.62 173.75 1m4k s LEU 126 N 0.06 4.09 -0.04 4.42 1.43 -0.68 -0.11 118.68 127.85 1m4k s LEU 126 Ca -0.07 0.33 0.07 0.00 -1.03 0.00 0.00 54.13 53.43 1m4k s LEU 126 Cb -0.14 -1.99 -0.01 0.00 0.03 0.00 0.00 46.19 44.08 1m4k s LEU 126 CO 0.04 0.37 -0.24 -0.44 0.23 0.00 0.00 176.35 176.30 1m4k s SER 127 N -0.80 2.95 -0.15 2.29 0.01 0.15 0.39 113.70 118.55 1m4k s SER 127 Ca 0.13 -0.48 0.02 0.00 1.31 0.00 0.00 55.95 56.93 1m4k s SER 127 Cb -0.12 -0.64 0.01 0.00 0.21 0.00 0.00 66.02 65.48 1m4k s SER 127 CO 0.03 0.26 -0.20 0.00 0.41 0.00 0.00 173.24 173.74 1m4k s SER 129 N 1.00 0.65 -0.21 0.00 1.04 0.38 -0.96 113.70 115.61 1m4k s SER 129 Ca -0.03 -1.16 -0.27 0.00 0.48 0.00 0.00 55.95 54.97 1m4k s SER 129 Cb -0.15 0.22 0.09 0.00 0.10 0.00 0.00 66.02 66.28 1m4k s SER 129 CO -0.05 -0.65 0.82 -0.55 0.98 0.00 0.00 173.24 173.78 1m4k s SER 130 N -3.07 -0.61 0.26 7.02 0.15 -0.69 0.05 113.70 116.81 1m4k s SER 130 Ca 0.21 1.01 0.26 0.00 0.70 0.00 0.00 55.95 58.13 1m4k s SER 130 Cb 0.07 0.97 0.82 0.00 -1.71 0.00 0.00 66.02 66.17 1m4k s SER 130 CO 0.00 -0.33 1.75 0.03 1.20 0.00 0.00 173.24 175.90 1m4k h ARG 131 N 4.03 0.00 -5.58 5.44 3.08 -1.93 -3.42 114.38 116.00 1m4k h ARG 131 Ca -0.27 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.13 1m4k h ARG 131 Cb 1.16 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.11 1m4k h ARG 131 CO 0.18 0.00 -0.50 -1.12 -1.07 0.00 0.00 179.97 177.45 1m4k s SER 132 N -4.71 6.16 0.34 7.04 0.01 -1.26 -5.06 113.70 116.22 1m4k s SER 132 Ca 0.08 0.35 -0.24 0.00 1.31 0.00 0.00 55.95 57.46 1m4k s SER 132 Cb 0.11 -2.00 -0.10 0.00 0.21 0.00 0.00 66.02 64.24 1m4k s SER 132 CO 0.56 0.34 0.91 -0.94 0.41 0.00 0.00 173.24 174.53 1m4k s SER 133 N -0.63 7.20 0.07 2.44 1.04 -1.26 -4.77 113.70 117.79 1m4k s SER 133 Ca 0.12 1.74 0.06 0.00 0.48 0.00 0.00 55.95 58.36 1m4k s SER 133 Cb -0.12 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 63.43 1m4k s SER 133 CO 0.02 -0.13 -0.17 -0.31 0.98 0.00 0.00 173.24 173.63 1m4k s TYR 134 N -1.74 1.49 -0.44 5.02 2.02 -0.76 -4.78 117.35 118.16 1m4k s TYR 134 Ca 0.52 -0.41 0.23 0.00 -0.37 0.00 0.00 57.07 57.05 1m4k s TYR 134 Cb -0.16 -0.85 0.40 0.00 -0.40 0.00 0.00 41.96 40.94 1m4k s TYR 134 CO 0.21 0.10 1.63 -0.44 -1.57 0.00 0.00 175.55 175.48 1m4k h ASP 135 N 4.49 0.00 -3.63 2.29 3.32 -1.44 0.75 116.42 122.20 1m4k h ASP 135 Ca -0.42 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.50 1m4k h ASP 135 Cb 1.18 0.00 -0.25 0.00 0.22 0.00 0.00 39.33 40.48 1m4k h ASP 135 CO 0.41 0.00 -0.30 -0.32 -1.72 0.00 0.00 179.24 177.32 1m4k s MET 136 N -3.22 0.41 0.03 3.56 1.75 -0.88 -0.62 119.30 120.33 1m4k s MET 136 Ca 0.07 0.60 0.05 0.00 -1.25 0.00 0.00 55.69 55.17 1m4k s MET 136 Cb 0.06 0.11 -0.03 0.00 2.84 0.00 0.00 34.83 37.81 1m4k s MET 136 CO 0.66 -0.09 -0.13 0.71 -0.65 0.00 0.00 175.02 175.52 1m4k s TYR 137 N 0.65 2.71 -0.06 4.11 2.02 0.02 -0.87 117.35 125.94 1m4k s TYR 137 Ca -0.04 -0.16 0.03 0.00 -0.37 0.00 0.00 57.07 56.53 1m4k s TYR 137 Cb -0.05 -1.52 0.01 0.00 -0.40 0.00 0.00 41.96 39.99 1m4k s TYR 137 CO -0.04 0.31 -0.15 -1.01 -1.57 0.00 0.00 175.55 173.09 1m4k s HIS 138 N -0.98 1.66 -0.21 2.71 3.76 0.31 -1.76 115.29 120.78 1m4k s HIS 138 Ca 0.16 -0.58 -0.03 0.00 -0.15 0.00 0.00 55.06 54.46 1m4k s HIS 138 Cb -0.11 -1.16 -0.01 0.00 1.11 0.00 0.00 32.58 32.41 1m4k s HIS 138 CO 0.07 -0.26 -0.05 -1.17 -0.85 0.00 0.00 174.74 172.48 1m4k s LEU 139 N 0.42 2.88 0.14 0.89 2.96 -0.44 -0.51 118.68 125.02 1m4k s LEU 139 Ca -0.12 -0.38 0.10 0.00 -0.22 0.00 0.00 54.13 53.52 1m4k s LEU 139 Cb -0.15 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.78 1m4k s LEU 139 CO 0.04 0.01 -0.24 -0.55 -1.32 0.00 0.00 176.35 174.29 1m4k s SER 140 N 1.32 3.06 -0.09 3.68 0.15 0.90 -1.86 113.70 120.87 1m4k s SER 140 Ca 0.04 -0.77 0.00 0.00 0.70 0.00 0.00 55.95 55.92 1m4k s SER 140 Cb -0.14 -0.20 0.02 0.00 -1.71 0.00 0.00 66.02 63.99 1m4k s SER 140 CO -0.02 0.11 -0.07 -0.60 1.20 0.00 0.00 173.24 173.85 1m4k s ARG 141 N -2.24 1.34 0.23 5.44 3.52 -1.26 -1.28 118.95 124.69 1m4k s ARG 141 Ca 0.14 -0.21 -0.31 0.00 -0.13 0.00 0.00 55.73 55.21 1m4k s ARG 141 Cb -0.09 -1.36 -0.14 0.00 -1.56 0.00 0.00 34.95 31.80 1m4k s ARG 141 CO 0.06 -0.19 1.30 0.39 -0.81 0.00 0.00 175.30 176.06 1m4k n GLU 142 N 4.63 1.73 -0.68 5.12 1.02 -0.30 -1.79 120.64 130.38 1m4k n GLU 142 Ca -0.15 0.62 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 1m4k n GLU 142 Cb 0.50 -2.20 0.00 0.00 -0.02 0.00 0.00 31.44 29.72 1m4k n GLU 142 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1m4k n GLY 143 N 1.98 0.84 3.16 0.62 0.00 -1.26 -4.76 105.19 105.77 1m4k n GLY 143 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 1m4k n GLY 143 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1m4k s GLU 144 N -0.32 1.51 -0.06 1.61 2.12 -0.74 -5.05 118.70 117.77 1m4k s GLU 144 Ca 0.00 -0.62 -0.26 0.00 0.36 0.00 0.00 54.97 54.45 1m4k s GLU 144 Cb 0.00 -1.42 -0.21 0.00 0.26 0.00 0.00 34.13 32.76 1m4k s GLU 144 CO 0.00 0.34 1.03 0.00 -0.54 0.00 0.00 175.26 176.09 1m4k h ALA 145 N 5.85 -0.04 -2.93 6.30 0.00 -1.97 -3.43 119.26 123.05 1m4k h ALA 145 Ca -0.36 -0.32 -0.53 0.00 0.00 0.00 0.00 54.91 53.70 1m4k h ALA 145 Cb 1.16 0.02 0.10 0.00 0.00 0.00 0.00 17.79 19.06 1m4k h ALA 145 CO 0.48 -0.18 0.65 -1.01 0.00 0.00 0.00 179.25 179.19 1m4k s HIS 146 N -3.46 2.62 0.20 0.00 3.76 -1.26 -5.02 115.29 112.13 1m4k s HIS 146 Ca -0.16 1.34 0.09 0.00 -0.15 0.00 0.00 55.06 56.18 1m4k s HIS 146 Cb -0.00 -3.78 -0.05 0.00 1.11 0.00 0.00 32.58 29.86 1m4k s HIS 146 CO 0.64 -2.52 -0.17 -1.83 -0.85 0.00 0.00 174.74 170.01 1m4k s GLU 147 N -2.40 1.38 0.13 1.40 -1.05 -1.26 -4.69 118.70 112.20 1m4k s GLU 147 Ca 0.60 -1.55 0.07 0.00 -0.15 0.00 0.00 54.97 53.95 1m4k s GLU 147 Cb -0.40 -1.34 -0.04 0.00 -0.44 0.00 0.00 34.13 31.90 1m4k s GLU 147 CO 0.52 0.25 -0.08 1.03 0.95 0.00 0.00 175.26 177.93 1m4k s ARG 148 N -3.26 2.17 0.11 -4.83 0.52 -0.78 -4.96 118.95 107.92 1m4k s ARG 148 Ca 0.21 -1.08 0.05 0.00 -0.52 0.00 0.00 55.73 54.39 1m4k s ARG 148 Cb -0.04 -2.29 -0.04 0.00 0.52 0.00 0.00 34.95 33.11 1m4k s ARG 148 CO 0.08 0.49 -0.12 1.03 0.02 0.00 0.00 175.30 176.80 1m4k s ARG 149 N -2.46 0.94 -0.06 3.54 0.52 -1.26 -1.33 118.95 118.84 1m4k s ARG 149 Ca 0.23 -1.19 -0.01 0.00 -0.52 0.00 0.00 55.73 54.23 1m4k s ARG 149 Cb -0.10 -0.74 0.03 0.00 0.52 0.00 0.00 34.95 34.66 1m4k s ARG 149 CO 0.15 0.13 0.02 0.12 0.02 0.00 0.00 175.30 175.74 1m4k s PHE 150 N -2.25 0.45 0.17 -0.53 5.36 -0.72 -4.98 117.98 115.48 1m4k s PHE 150 Ca 0.07 -0.01 -0.04 0.00 -0.96 0.00 0.00 56.93 55.98 1m4k s PHE 150 Cb -0.04 -0.68 -0.05 0.00 -0.34 0.00 0.00 43.02 41.91 1m4k s PHE 150 CO 0.02 -0.27 0.40 0.45 -1.46 0.00 0.00 175.22 174.35 1m4k s SER 151 N 2.01 6.47 0.06 6.13 0.15 -1.26 -0.80 113.70 126.46 1m4k s SER 151 Ca 0.04 0.57 0.24 0.00 0.70 0.00 0.00 55.95 57.51 1m4k s SER 151 Cb -0.12 -2.08 0.99 0.00 -1.71 0.00 0.00 66.02 63.10 1m4k s SER 151 CO -0.04 0.01 1.77 0.00 1.20 0.00 0.00 173.24 176.18 1m4k n ALA 152 N -0.15 2.10 0.00 5.45 0.00 0.21 -4.97 120.51 123.14 1m4k n ALA 152 Ca -0.03 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1m4k n ALA 152 Cb 0.52 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.57 1m4k n ALA 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1m4k n GLY 153 N 0.97 -0.21 0.29 0.00 0.00 -1.26 -4.07 105.19 100.90 1m4k n GLY 153 Ca 0.05 -1.30 -0.11 0.00 0.00 0.00 0.00 46.02 44.66 1m4k n GLY 153 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1m4k h PRO 154 N 0.00 1.01 -6.22 1.61 0.13 -2.00 -3.44 132.00 123.08 1m4k h PRO 154 Ca 0.00 -0.42 -0.66 0.00 -0.87 0.00 0.00 66.00 64.05 1m4k h PRO 154 Cb 0.00 -0.04 0.10 0.00 0.13 0.00 0.00 31.00 31.19 1m4k h PRO 154 CO 0.00 1.10 -0.06 1.63 -0.23 0.00 0.00 178.00 180.44 1m4k n LYS 155 N -4.11 0.70 -0.75 0.86 4.76 -1.26 -4.90 118.16 113.46 1m4k n LYS 155 Ca 0.00 0.25 0.08 0.00 -2.87 0.00 0.00 58.31 55.77 1m4k n LYS 155 Cb 0.45 -1.54 0.37 0.00 -1.84 0.00 0.00 35.03 32.47 1m4k n LYS 155 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1m4k n VAL 156 N 0.63 2.43 -1.22 -0.18 0.24 -1.26 -4.40 118.33 114.57 1m4k n VAL 156 Ca 0.15 -1.42 0.09 0.00 -2.04 0.00 0.00 64.34 61.12 1m4k n VAL 156 Cb 0.25 -0.15 0.14 0.00 -1.47 0.00 0.00 33.84 32.61 1m4k n VAL 156 CO 0.00 0.00 0.00 -0.46 -2.14 0.00 0.00 176.83 174.23 1m4k n ASN 157 N 0.59 2.11 -0.86 -1.34 6.94 -1.26 -5.11 115.26 116.34 1m4k n ASN 157 Ca 0.26 -3.17 0.09 0.00 -0.02 0.00 0.00 54.58 51.74 1m4k n ASN 157 Cb 1.06 -0.43 -0.02 0.00 -2.36 0.00 0.00 39.78 38.03 1m4k n ASN 157 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1m4k n GLY 158 N -1.29 -1.82 3.03 4.83 0.00 -1.26 -4.84 105.19 103.84 1m4k n GLY 158 Ca 0.16 -1.24 -0.08 0.00 0.00 0.00 0.00 46.02 44.85 1m4k n GLY 158 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1m4k s THR 159 N -1.24 0.17 -2.18 2.61 -1.32 0.26 -4.82 115.64 109.11 1m4k s THR 159 Ca 0.00 -1.28 0.25 0.00 -1.21 0.00 0.00 61.69 59.45 1m4k s THR 159 Cb 0.00 -0.78 0.17 0.00 -1.51 0.00 0.00 72.50 70.38 1m4k s THR 159 CO 0.00 -0.70 1.33 0.49 -2.21 0.00 0.00 174.62 173.53 1m4k n PHE 160 N 0.99 0.00 -3.68 9.09 3.01 -1.26 -1.83 117.46 123.78 1m4k n PHE 160 Ca -0.20 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.11 1m4k n PHE 160 Cb 0.57 -0.03 -0.08 0.00 -0.01 0.00 0.00 39.48 39.93 1m4k n PHE 160 CO 0.00 0.00 0.00 -1.14 1.01 0.00 0.00 176.76 176.63 1m4k s GLN 161 N -2.34 0.77 -0.06 -1.08 0.74 -1.26 -1.71 119.66 114.72 1m4k s GLN 161 Ca 0.24 0.09 -0.03 0.00 0.05 0.00 0.00 55.36 55.71 1m4k s GLN 161 Cb 0.19 0.36 0.04 0.00 1.10 0.00 0.00 33.01 34.70 1m4k s GLN 161 CO 0.48 -0.21 0.12 0.00 -0.55 0.00 0.00 175.29 175.14 1m4k s ALA 162 N -1.03 -0.11 -0.14 1.58 0.00 -0.14 -5.00 121.76 116.93 1m4k s ALA 162 Ca -0.11 0.52 -0.06 0.00 0.00 0.00 0.00 51.96 52.31 1m4k s ALA 162 Cb -0.03 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.46 1m4k s ALA 162 CO 0.05 -0.35 0.08 -0.51 0.00 0.00 0.00 175.76 175.04 1m4k s ASP 163 N 1.72 5.85 -0.48 0.00 1.01 -1.26 -0.58 116.67 122.92 1m4k s ASP 163 Ca -0.03 0.25 0.03 0.00 0.71 0.00 0.00 52.55 53.51 1m4k s ASP 163 Cb -0.12 -1.89 0.13 0.00 1.01 0.00 0.00 42.92 42.05 1m4k s ASP 163 CO -0.05 0.31 0.24 -0.36 0.21 0.00 0.00 175.17 175.52 1m4k s PHE 164 N -0.45 2.82 0.08 4.23 0.08 0.16 -5.00 117.98 119.92 1m4k s PHE 164 Ca 0.10 -2.92 -0.31 0.00 0.12 0.00 0.00 56.93 53.93 1m4k s PHE 164 Cb -0.12 -2.53 -0.08 0.00 -0.57 0.00 0.00 43.02 39.73 1m4k s PHE 164 CO 0.02 -0.77 1.47 -2.14 -0.10 0.00 0.00 175.22 173.70 1m4k s PRO 165 N -0.01 4.27 0.01 0.24 0.02 -1.26 -1.69 135.00 136.58 1m4k s PRO 165 Ca 0.17 2.13 0.23 0.00 0.02 0.00 0.00 61.00 63.55 1m4k s PRO 165 Cb -0.25 -3.39 0.07 0.00 0.02 0.00 0.00 34.50 30.95 1m4k s PRO 165 CO -0.01 -0.55 1.09 1.28 -0.33 0.00 0.00 177.00 178.48 1m4k n LEU 166 N 4.63 0.73 0.00 -5.54 4.77 0.01 -4.95 117.00 116.65 1m4k n LEU 166 Ca 0.13 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.89 1m4k n LEU 166 Cb 0.42 -0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 1m4k n LEU 166 CO 0.60 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 1m4k n GLY 167 N 1.47 -1.79 3.69 -0.72 0.00 -1.23 -4.85 105.19 101.76 1m4k n GLY 167 Ca 0.04 -1.36 -0.55 0.00 0.00 0.00 0.00 46.02 44.15 1m4k n GLY 167 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1m4k n PRO 168 N -0.08 1.39 -1.83 1.61 -0.02 -1.26 -2.36 135.00 132.45 1m4k n PRO 168 Ca 0.00 0.51 -0.42 0.00 -2.02 0.00 0.00 63.50 61.57 1m4k n PRO 168 Cb 0.00 -2.22 -0.02 0.00 -0.02 0.00 0.00 33.50 31.24 1m4k n PRO 168 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1m4k s ALA 169 N 3.15 3.74 0.08 3.55 0.00 0.40 -4.71 121.76 127.97 1m4k s ALA 169 Ca 0.95 1.51 0.00 0.00 0.00 0.00 0.00 51.96 54.42 1m4k s ALA 169 Cb -0.97 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 18.52 1m4k s ALA 169 CO 0.59 -0.91 0.00 0.25 0.00 0.00 0.00 175.76 175.69 1m4k n THR 170 N 2.52 0.50 -4.16 0.00 -2.24 -1.26 -0.62 114.28 109.02 1m4k n THR 170 Ca 0.09 0.17 -0.17 0.00 -2.27 0.00 0.00 64.05 61.87 1m4k n THR 170 Cb 0.38 -1.31 -0.12 0.00 -2.10 0.00 0.00 70.33 67.18 1m4k n THR 170 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 1m4k s HIS 171 N -2.00 1.01 1.14 4.78 0.00 -1.26 -4.97 115.29 113.99 1m4k s HIS 171 Ca 0.00 -0.44 -0.18 0.00 -3.00 0.00 0.00 55.06 51.44 1m4k s HIS 171 Cb 0.00 -0.58 0.26 0.00 -4.00 0.00 0.00 32.58 28.26 1m4k s HIS 171 CO 0.00 0.01 1.13 0.20 -1.00 0.00 0.00 174.74 175.07 1m4k s GLY 172 N -1.54 1.60 0.00 -1.38 0.00 -1.26 -4.88 107.32 99.85 1m4k s GLY 172 Ca -0.04 -0.87 0.00 0.00 0.00 0.00 0.00 44.72 43.81 1m4k s GLY 172 CO 0.01 -0.05 0.00 0.61 0.00 0.00 0.00 173.10 173.68 1m4k n GLY 173 N -1.26 0.61 3.45 0.20 0.00 -0.76 -5.00 105.19 102.43 1m4k n GLY 173 Ca 0.12 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 45.07 1m4k n GLY 173 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1m4k s THR 174 N -2.00 4.13 0.13 2.61 2.01 -1.26 -0.67 115.64 120.59 1m4k s THR 174 Ca 0.00 -0.24 0.07 0.00 0.31 0.00 0.00 61.69 61.82 1m4k s THR 174 Cb 0.00 -2.90 -0.04 0.00 0.01 0.00 0.00 72.50 69.57 1m4k s THR 174 CO 0.00 0.39 -0.04 -0.31 -0.69 0.00 0.00 174.62 173.97 1m4k s TYR 175 N 1.26 2.82 -0.01 4.92 1.51 0.66 -1.14 117.35 127.36 1m4k s TYR 175 Ca 0.04 -0.13 -0.03 0.00 -1.01 0.00 0.00 57.07 55.95 1m4k s TYR 175 Cb -0.15 -1.42 -0.00 0.00 -0.11 0.00 0.00 41.96 40.28 1m4k s TYR 175 CO 0.02 0.48 0.06 1.03 -1.11 0.00 0.00 175.55 176.03 1m4k s ARG 176 N -2.55 0.21 0.13 -0.62 0.52 -0.41 0.39 118.95 116.62 1m4k s ARG 176 Ca 0.25 -0.16 0.05 0.00 -0.52 0.00 0.00 55.73 55.35 1m4k s ARG 176 Cb -0.10 0.08 -0.04 0.00 0.52 0.00 0.00 34.95 35.41 1m4k s ARG 176 CO 0.17 -0.04 -0.12 0.00 0.02 0.00 0.00 175.30 175.32 1m4k s PHE 178 N -2.52 0.19 0.15 0.00 0.08 0.34 -1.74 117.98 114.47 1m4k s PHE 178 Ca 0.11 -0.45 0.07 0.00 0.12 0.00 0.00 56.93 56.78 1m4k s PHE 178 Cb -0.03 -0.14 -0.04 0.00 -0.57 0.00 0.00 43.02 42.25 1m4k s PHE 178 CO 0.02 -0.33 -0.05 0.20 -0.10 0.00 0.00 175.22 174.96 1m4k s GLY 179 N -1.93 1.77 0.18 4.36 0.00 -1.26 -0.53 107.32 109.90 1m4k s GLY 179 Ca -0.08 -1.32 -0.09 0.00 0.00 0.00 0.00 44.72 43.23 1m4k s GLY 179 CO -0.03 -1.33 0.30 -1.35 0.00 0.00 0.00 173.10 170.69 1m4k s SER 180 N -2.64 0.04 0.03 1.64 1.04 -0.05 -0.65 113.70 113.11 1m4k s SER 180 Ca 0.25 -0.93 0.03 0.00 0.48 0.00 0.00 55.95 55.78 1m4k s SER 180 Cb -0.10 0.45 -0.04 0.00 0.10 0.00 0.00 66.02 66.43 1m4k s SER 180 CO 0.16 -0.92 -0.02 -0.36 0.98 0.00 0.00 173.24 173.08 1m4k s PHE 181 N -3.99 3.00 0.29 5.02 0.08 -1.26 -1.14 117.98 119.98 1m4k s PHE 181 Ca 0.20 0.02 0.02 0.00 0.12 0.00 0.00 56.93 57.29 1m4k s PHE 181 Cb 0.03 -1.62 0.59 0.00 -0.57 0.00 0.00 43.02 41.46 1m4k s PHE 181 CO 0.02 0.44 1.83 -0.09 -0.10 0.00 0.00 175.22 177.33 1m4k h ARG 182 N 4.13 0.92 0.00 0.44 2.43 -1.98 -1.73 114.38 118.60 1m4k h ARG 182 Ca -0.48 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.63 1m4k h ARG 182 Cb 1.17 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.51 1m4k h ARG 182 CO 0.57 0.61 0.00 -0.40 -1.51 0.00 0.00 179.97 179.24 1m4k n ASP 183 N -4.63 0.00 -2.78 -3.80 3.85 -1.26 -4.17 116.55 103.76 1m4k n ASP 183 Ca 0.19 -0.03 -0.10 0.00 -0.71 0.00 0.00 54.79 54.15 1m4k n ASP 183 Cb 0.39 -0.27 0.07 0.00 -1.35 0.00 0.00 41.12 39.96 1m4k n ASP 183 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 1m4k n SER 184 N -1.27 -2.19 0.28 -1.12 3.41 -0.67 -5.04 113.62 107.02 1m4k n SER 184 Ca 0.10 -3.54 0.15 0.00 -0.26 0.00 0.00 58.87 55.31 1m4k n SER 184 Cb 0.15 1.67 0.71 0.00 -0.26 0.00 0.00 64.21 66.49 1m4k n SER 184 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1m4k h PRO 185 N 3.25 0.00 -0.02 4.33 0.13 -1.69 0.54 132.00 138.54 1m4k h PRO 185 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1m4k h PRO 185 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1m4k h PRO 185 CO 0.21 0.00 -0.01 0.66 -0.23 0.00 0.00 178.00 178.63 1m4k n TYR 186 N -3.01 0.00 -3.85 1.56 4.01 -1.26 -4.79 117.16 109.81 1m4k n TYR 186 Ca 0.01 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.39 1m4k n TYR 186 Cb 0.52 -0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.41 1m4k n TYR 186 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1m4k s GLU 187 N -2.01 3.33 0.33 -0.72 2.02 0.18 -1.37 118.70 120.46 1m4k s GLU 187 Ca 0.31 -0.67 0.09 0.00 0.02 0.00 0.00 54.97 54.72 1m4k s GLU 187 Cb 0.20 -3.14 -0.05 0.00 0.10 0.00 0.00 34.13 31.24 1m4k s GLU 187 CO 0.32 -0.26 -0.02 -1.58 0.02 0.00 0.00 175.26 173.74 1m4k s TRP 188 N 1.50 2.52 1.10 1.61 0.52 -0.16 -4.37 118.94 121.66 1m4k s TRP 188 Ca 0.05 -0.43 -0.17 0.00 0.02 0.00 0.00 56.10 55.57 1m4k s TRP 188 Cb -0.15 -1.43 0.24 0.00 -1.15 0.00 0.00 33.47 30.99 1m4k s TRP 188 CO -0.01 0.52 1.16 -1.54 0.02 0.00 0.00 176.95 177.10 1m4k s SER 189 N -3.68 1.84 0.73 2.95 1.04 0.18 -1.65 113.70 115.10 1m4k s SER 189 Ca 0.34 0.63 -0.14 0.00 0.48 0.00 0.00 55.95 57.26 1m4k s SER 189 Cb -0.00 -0.90 0.04 0.00 0.10 0.00 0.00 66.02 65.25 1m4k s SER 189 CO 0.19 -3.56 1.18 0.20 0.98 0.00 0.00 173.24 172.22 1m4k s ASN 190 N -4.10 4.31 0.47 7.02 0.01 -0.22 -1.84 114.94 120.60 1m4k s ASN 190 Ca 0.70 2.24 -0.22 0.00 -0.71 0.00 0.00 52.86 54.87 1m4k s ASN 190 Cb -0.10 -2.58 -0.07 0.00 0.41 0.00 0.00 41.25 38.92 1m4k s ASN 190 CO 0.55 -2.18 1.16 -0.55 -1.51 0.00 0.00 177.10 174.57 1m4k s SER 191 N -2.26 6.10 0.91 -1.22 0.15 -1.26 -4.20 113.70 111.92 1m4k s SER 191 Ca 0.72 2.28 -0.12 0.00 0.70 0.00 0.00 55.95 59.53 1m4k s SER 191 Cb -0.26 -2.60 0.13 0.00 -1.71 0.00 0.00 66.02 61.58 1m4k s SER 191 CO 0.46 -0.96 1.10 -0.94 1.20 0.00 0.00 173.24 174.10 1m4k s SER 192 N -1.43 3.45 0.34 5.45 1.04 -0.71 -4.74 113.70 117.11 1m4k s SER 192 Ca 0.65 1.31 -0.29 0.00 0.48 0.00 0.00 55.95 58.10 1m4k s SER 192 Cb -0.28 -1.98 -0.11 0.00 0.10 0.00 0.00 66.02 63.75 1m4k s SER 192 CO 0.33 -2.63 1.55 -1.81 0.98 0.00 0.00 173.24 171.66 1m4k s ASP 193 N -3.60 6.33 0.48 7.02 1.01 -1.26 -4.66 116.67 121.99 1m4k s ASP 193 Ca 0.63 3.03 -0.24 0.00 0.71 0.00 0.00 52.55 56.69 1m4k s ASP 193 Cb -0.17 -2.65 -0.07 0.00 1.01 0.00 0.00 42.92 41.04 1m4k s ASP 193 CO 0.56 -0.91 1.33 -2.16 0.21 0.00 0.00 175.17 174.20 1m4k s PRO 194 N -1.40 3.55 -0.26 8.23 0.04 -1.26 -4.72 135.00 139.17 1m4k s PRO 194 Ca 0.58 2.18 0.01 0.00 0.04 0.00 0.00 61.00 63.81 1m4k s PRO 194 Cb -0.48 -2.48 0.05 0.00 0.04 0.00 0.00 34.50 31.63 1m4k s PRO 194 CO 0.57 -0.84 -0.09 -1.17 0.04 0.00 0.00 177.00 175.50 1m4k s LEU 195 N -3.02 3.41 -0.16 -3.56 0.20 0.16 -4.92 118.68 110.79 1m4k s LEU 195 Ca 0.65 -1.27 -0.25 0.00 0.69 0.00 0.00 54.13 53.95 1m4k s LEU 195 Cb -0.39 -1.59 -0.02 0.00 -0.43 0.00 0.00 46.19 43.77 1m4k s LEU 195 CO 0.48 -0.18 0.81 -0.22 -0.29 0.00 0.00 176.35 176.95 1m4k s LEU 196 N 1.17 4.18 -0.14 -0.68 2.96 -1.26 -0.25 118.68 124.65 1m4k s LEU 196 Ca -0.06 1.15 -0.04 0.00 -0.22 0.00 0.00 54.13 54.96 1m4k s LEU 196 Cb -0.19 -3.20 -0.03 0.00 0.50 0.00 0.00 46.19 43.27 1m4k s LEU 196 CO -0.05 -0.37 -0.02 -0.69 -1.32 0.00 0.00 176.35 173.90 1m4k s VAL 197 N 2.05 4.09 -0.06 1.68 1.01 0.15 -4.75 120.40 124.58 1m4k s VAL 197 Ca 0.38 -0.29 0.05 0.00 0.00 0.00 0.00 61.98 62.12 1m4k s VAL 197 Cb -0.17 -2.78 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 1m4k s VAL 197 CO 0.13 0.51 -0.23 -0.44 0.00 0.00 0.00 175.10 175.07 1m4k s SER 198 N 0.10 2.88 -0.09 3.32 0.01 0.99 -1.84 113.70 119.07 1m4k s SER 198 Ca 0.01 -0.48 0.03 0.00 1.31 0.00 0.00 55.95 56.81 1m4k s SER 198 Cb -0.13 -0.88 -0.01 0.00 0.21 0.00 0.00 66.02 65.21 1m4k s SER 198 CO 0.02 0.21 -0.19 -0.69 0.41 0.00 0.00 173.24 173.00 1m4k s VAL 199 N -0.04 2.56 0.00 3.43 1.01 -1.25 -0.12 120.40 125.98 1m4k s VAL 199 Ca -0.06 -0.86 0.00 0.00 0.00 0.00 0.00 61.98 61.06 1m4k s VAL 199 Cb -0.14 -2.01 0.00 0.00 0.00 0.00 0.00 36.38 34.23 1m4k s VAL 199 CO 0.04 0.56 0.08 0.35 0.00 0.00 0.00 175.10 176.13