#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h4k n ASP 2 N 0.00 0.00 0.25 6.12 9.92 -1.26 -2.04 116.55 129.54 1h4k n ASP 2 Ca 0.00 0.00 0.14 0.00 -0.53 0.00 0.00 54.79 54.40 1h4k n ASP 2 Cb 0.00 0.00 0.77 0.00 -0.64 0.00 0.00 41.12 41.25 1h4k n ASP 2 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 1h4k h ASP 3 N 0.00 0.00 0.00 -2.24 3.45 -2.01 -2.16 116.42 113.46 1h4k h ASP 3 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 1h4k h ASP 3 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 1h4k h ASP 3 CO 0.00 0.00 -1.45 0.49 -1.57 0.00 0.00 179.24 176.71 1h4k n PHE 4 N -2.58 0.00 -0.38 4.55 3.01 -0.87 -4.60 117.46 116.60 1h4k n PHE 4 Ca -0.02 0.00 0.29 0.00 1.01 0.00 0.00 57.45 58.73 1h4k n PHE 4 Cb 0.18 -0.25 0.57 0.00 -0.01 0.00 0.00 39.48 39.97 1h4k n PHE 4 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1h4k h ALA 5 N 2.10 2.43 0.00 4.37 0.00 -1.32 0.57 119.26 127.42 1h4k h ALA 5 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1h4k h ALA 5 Cb 0.68 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1h4k h ALA 5 CO 0.00 -0.96 0.00 -1.13 0.00 0.00 0.00 179.25 177.16 1h4k n SER 6 N -4.69 0.31 -4.89 0.00 3.41 -1.26 -4.86 113.62 101.63 1h4k n SER 6 Ca 0.31 0.54 -0.30 0.00 -0.26 0.00 0.00 58.87 59.15 1h4k n SER 6 Cb 1.13 -0.62 -0.04 0.00 -0.26 0.00 0.00 64.21 64.42 1h4k n SER 6 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1h4k s LEU 7 N -3.60 4.09 0.96 1.04 1.43 0.19 -5.09 118.68 117.69 1h4k s LEU 7 Ca 0.11 0.86 -0.15 0.00 -1.03 0.00 0.00 54.13 53.93 1h4k s LEU 7 Cb 0.15 -3.66 0.18 0.00 0.03 0.00 0.00 46.19 42.88 1h4k s LEU 7 CO 0.50 -0.15 1.21 -2.16 0.23 0.00 0.00 176.35 175.98 1h4k s PRO 8 N -3.21 0.72 0.12 1.29 0.04 -1.26 -4.97 135.00 127.74 1h4k s PRO 8 Ca 0.46 -0.08 -0.27 0.00 0.04 0.00 0.00 61.00 61.15 1h4k s PRO 8 Cb -0.11 -1.82 -0.06 0.00 0.04 0.00 0.00 34.50 32.55 1h4k s PRO 8 CO 0.26 -2.41 1.61 1.25 0.04 0.00 0.00 177.00 177.74 1h4k h LEU 9 N -1.65 -0.98 -9.01 -3.56 6.46 -1.89 -3.38 115.31 101.31 1h4k h LEU 9 Ca -0.46 0.13 -0.60 0.00 -0.12 0.00 0.00 57.88 56.82 1h4k h LEU 9 Cb 1.29 0.39 -0.10 0.00 -0.73 0.00 0.00 40.66 41.51 1h4k h LEU 9 CO 0.49 -0.39 0.36 -0.69 -0.62 0.00 0.00 178.44 177.59 1h4k s VAL 10 N -6.00 4.88 0.37 1.05 1.01 -1.26 -1.02 120.40 119.42 1h4k s VAL 10 Ca -0.16 1.38 0.08 0.00 0.00 0.00 0.00 61.98 63.28 1h4k s VAL 10 Cb 0.09 -4.06 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 1h4k s VAL 10 CO 0.65 -0.07 0.09 0.27 0.00 0.00 0.00 175.10 176.04 1h4k s ILE 11 N 2.75 2.52 0.28 2.22 -4.36 -0.12 -4.92 121.20 119.56 1h4k s ILE 11 Ca 0.32 -1.84 0.06 0.00 -0.26 0.00 0.00 60.65 58.93 1h4k s ILE 11 Cb -0.15 -2.91 -0.03 0.00 1.25 0.00 0.00 42.46 40.62 1h4k s ILE 11 CO 0.08 -0.11 0.34 -1.61 0.24 0.00 0.00 174.94 173.89 1h4k s GLU 12 N -3.80 3.16 0.30 0.37 0.41 -1.26 -0.62 118.70 117.27 1h4k s GLU 12 Ca 0.37 -0.95 0.05 0.00 -0.41 0.00 0.00 54.97 54.03 1h4k s GLU 12 Cb 0.02 -2.75 0.68 0.00 -1.78 0.00 0.00 34.13 30.29 1h4k s GLU 12 CO 0.21 0.29 1.82 -1.35 -0.49 0.00 0.00 175.26 175.74 1h4k h PRO 13 N 1.18 0.83 -0.94 0.39 0.11 -1.95 -0.91 132.00 130.71 1h4k h PRO 13 Ca -0.49 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.57 1h4k h PRO 13 Cb 1.24 -0.19 -0.05 0.00 0.11 0.00 0.00 31.00 32.12 1h4k h PRO 13 CO 0.59 0.55 0.57 0.00 -0.21 0.00 0.00 178.00 179.49 1h4k h ALA 14 N 1.59 1.23 -0.72 -0.75 0.00 -1.99 0.11 119.26 118.73 1h4k h ALA 14 Ca 0.52 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.27 1h4k h ALA 14 Cb 0.69 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1h4k h ALA 14 CO -0.30 0.66 0.24 -0.44 0.00 0.00 0.00 179.25 179.41 1h4k h ASP 15 N 1.30 1.03 -0.12 0.00 3.32 -1.57 -2.67 116.42 117.72 1h4k h ASP 15 Ca 0.34 -0.20 -0.11 0.00 0.02 0.00 0.00 57.03 57.08 1h4k h ASP 15 Cb -0.06 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.22 1h4k h ASP 15 CO -0.06 0.96 -0.36 0.25 -1.72 0.00 0.00 179.24 178.31 1h4k h LEU 16 N 1.05 0.52 -1.09 1.55 5.85 -0.97 -3.18 115.31 119.05 1h4k h LEU 16 Ca 0.23 -0.60 0.09 0.00 0.84 0.00 0.00 57.88 58.44 1h4k h LEU 16 Cb 0.29 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.10 1h4k h LEU 16 CO -0.01 1.03 0.62 -0.61 -0.34 0.00 0.00 178.44 179.13 1h4k h GLN 17 N 0.05 1.00 0.00 1.25 4.15 -0.73 0.62 115.11 121.44 1h4k h GLN 17 Ca -0.01 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.35 1h4k h GLN 17 Cb 0.98 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.44 1h4k h GLN 17 CO 0.08 0.66 0.00 0.00 -1.93 0.00 0.00 178.83 177.64 1h4k n ALA 18 N -2.38 1.78 -0.62 3.38 0.00 -1.01 -3.25 120.51 118.41 1h4k n ALA 18 Ca 0.16 -0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.63 1h4k n ALA 18 Cb 0.27 -1.33 0.06 0.00 0.00 0.00 0.00 19.45 18.44 1h4k n ALA 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1h4k n ARG 19 N -1.81 1.92 0.06 0.00 1.74 0.11 -4.78 116.66 113.89 1h4k n ARG 19 Ca 0.04 -1.83 0.20 0.00 -0.77 0.00 0.00 57.85 55.48 1h4k n ARG 19 Cb 0.23 -1.14 0.74 0.00 -1.02 0.00 0.00 32.46 31.27 1h4k n ARG 19 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1h4k h LEU 20 N 0.00 0.00 -0.69 0.55 3.38 -1.25 -0.75 115.31 116.55 1h4k h LEU 20 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1h4k h LEU 20 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1h4k h LEU 20 CO 0.00 0.00 -0.15 -1.20 0.09 0.00 0.00 178.44 177.18 1h4k n SER 21 N -3.99 1.22 -4.65 -0.43 7.64 -1.26 -4.94 113.62 107.21 1h4k n SER 21 Ca 0.08 -1.14 -0.48 0.00 1.01 0.00 0.00 58.87 58.34 1h4k n SER 21 Cb 0.58 0.08 -0.05 0.00 -1.01 0.00 0.00 64.21 63.81 1h4k n SER 21 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1h4k n ALA 22 N -0.31 0.66 0.08 -0.43 0.00 -0.29 -4.86 120.51 115.37 1h4k n ALA 22 Ca 0.15 0.44 0.02 0.00 0.00 0.00 0.00 53.44 54.05 1h4k n ALA 22 Cb 0.35 -2.30 0.38 0.00 0.00 0.00 0.00 19.45 17.88 1h4k n ALA 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1h4k h PRO 23 N 6.06 0.33 -0.00 0.00 0.11 -1.92 -2.74 132.00 133.85 1h4k h PRO 23 Ca -0.46 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1h4k h PRO 23 Cb 1.28 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1h4k h PRO 23 CO 0.87 0.41 -0.05 -0.85 -0.21 0.00 0.00 178.00 178.17 1h4k n GLU 24 N -4.31 0.15 -2.37 1.05 0.00 -1.26 -4.89 120.64 109.01 1h4k n GLU 24 Ca 0.00 -0.02 -0.42 0.00 0.00 0.00 0.00 57.16 56.73 1h4k n GLU 24 Cb 0.23 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.14 1h4k n GLU 24 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1h4k s LEU 25 N -2.86 4.38 -0.44 -1.84 2.96 -1.04 -1.04 118.68 118.79 1h4k s LEU 25 Ca 0.18 2.09 0.03 0.00 -0.22 0.00 0.00 54.13 56.22 1h4k s LEU 25 Cb 0.19 -3.58 0.12 0.00 0.50 0.00 0.00 46.19 43.42 1h4k s LEU 25 CO 0.53 -0.50 0.18 -0.63 -1.32 0.00 0.00 176.35 174.61 1h4k s ILE 26 N 0.99 2.23 -0.21 6.68 1.01 -0.52 -4.92 121.20 126.45 1h4k s ILE 26 Ca 0.59 -2.80 -0.27 0.00 0.00 0.00 0.00 60.65 58.17 1h4k s ILE 26 Cb -0.31 -2.59 -0.00 0.00 0.01 0.00 0.00 42.46 39.57 1h4k s ILE 26 CO 0.30 -0.74 0.93 -0.22 0.00 0.00 0.00 174.94 175.20 1h4k s LEU 27 N 0.28 4.12 -0.19 2.97 2.96 -1.26 -2.70 118.68 124.85 1h4k s LEU 27 Ca 0.15 1.24 -0.04 0.00 -0.22 0.00 0.00 54.13 55.25 1h4k s LEU 27 Cb -0.23 -3.36 -0.02 0.00 0.50 0.00 0.00 46.19 43.07 1h4k s LEU 27 CO -0.04 -0.55 -0.02 -0.69 -1.32 0.00 0.00 176.35 173.73 1h4k s VAL 28 N 2.77 3.81 -0.23 1.68 1.01 -0.11 0.19 120.40 129.53 1h4k s VAL 28 Ca 0.40 -0.37 -0.05 0.00 0.00 0.00 0.00 61.98 61.96 1h4k s VAL 28 Cb -0.16 -2.70 -0.02 0.00 0.00 0.00 0.00 36.38 33.50 1h4k s VAL 28 CO 0.09 0.45 0.01 -0.62 0.00 0.00 0.00 175.10 175.02 1h4k s ASP 29 N 0.85 4.70 -0.45 3.32 3.68 0.35 -1.67 116.67 127.46 1h4k s ASP 29 Ca -0.00 -0.29 0.06 0.00 2.13 0.00 0.00 52.55 54.44 1h4k s ASP 29 Cb -0.14 -1.82 0.41 0.00 -1.45 0.00 0.00 42.92 39.92 1h4k s ASP 29 CO 0.02 -0.01 1.08 0.18 0.13 0.00 0.00 175.17 176.57 1h4k n LEU 30 N 4.78 4.51 0.00 -1.34 4.32 0.06 -1.17 117.00 128.16 1h4k n LEU 30 Ca -0.17 -5.20 0.00 0.00 -0.02 0.00 0.00 56.01 50.62 1h4k n LEU 30 Cb 0.51 -0.42 0.00 0.00 -1.62 0.00 0.00 43.42 41.89 1h4k n LEU 30 CO 0.30 2.22 0.00 0.35 -1.22 0.00 0.00 177.39 179.04 1h4k n THR 31 N -0.43 0.00 -3.48 -5.08 -2.24 -1.26 -4.47 114.28 97.32 1h4k n THR 31 Ca 0.37 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 62.04 1h4k n THR 31 Cb 0.64 -0.10 -0.02 0.00 -2.10 0.00 0.00 70.33 68.75 1h4k n THR 31 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1h4k s SER 32 N -1.00 -0.48 0.19 3.42 1.04 -1.26 -4.77 113.70 110.84 1h4k s SER 32 Ca 0.00 -0.05 -0.12 0.00 0.48 0.00 0.00 55.95 56.27 1h4k s SER 32 Cb 0.00 0.54 0.21 0.00 0.10 0.00 0.00 66.02 66.87 1h4k s SER 32 CO 0.00 -0.89 1.73 0.00 0.98 0.00 0.00 173.24 175.07 1h4k h ALA 33 N 2.00 0.64 0.46 5.32 0.00 -1.98 0.26 119.26 125.97 1h4k h ALA 33 Ca -0.29 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1h4k h ALA 33 Cb 1.28 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1h4k h ALA 33 CO 0.35 -0.25 -0.22 0.00 0.00 0.00 0.00 179.25 179.13 1h4k h ALA 34 N 1.38 -0.62 -0.88 0.00 0.00 -1.99 -1.04 119.26 116.11 1h4k h ALA 34 Ca 0.27 -0.16 0.05 0.00 0.00 0.00 0.00 54.91 55.07 1h4k h ALA 34 Cb 0.33 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 1h4k h ALA 34 CO -0.30 -0.81 0.56 -0.09 0.00 0.00 0.00 179.25 178.61 1h4k h ARG 35 N -0.70 1.02 -0.72 0.00 9.65 -1.87 0.45 114.38 122.20 1h4k h ARG 35 Ca -0.06 -0.06 -0.04 0.00 -1.10 0.00 0.00 59.98 58.71 1h4k h ARG 35 Cb 0.51 -0.23 -0.03 0.00 -1.39 0.00 0.00 29.97 28.83 1h4k h ARG 35 CO 0.10 0.67 0.29 -0.92 2.80 0.00 0.00 179.97 182.91 1h4k h TYR 36 N 1.05 1.10 -0.19 2.20 3.20 -0.35 -2.20 116.97 121.79 1h4k h TYR 36 Ca 0.37 -0.08 -0.19 0.00 3.14 0.00 0.00 58.73 61.97 1h4k h TYR 36 Cb 0.10 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 38.03 1h4k h TYR 36 CO -0.02 0.85 -0.63 0.00 -1.64 0.00 0.00 178.16 176.71 1h4k h ALA 37 N 1.14 0.53 -0.71 1.82 0.00 -0.57 -3.10 119.26 118.37 1h4k h ALA 37 Ca 0.24 -0.55 0.02 0.00 0.00 0.00 0.00 54.91 54.62 1h4k h ALA 37 Cb 0.21 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 1h4k h ALA 37 CO -0.02 0.70 0.47 1.49 0.00 0.00 0.00 179.25 181.89 1h4k h GLU 38 N 0.49 0.90 0.00 0.00 4.81 -0.70 -3.44 114.58 116.63 1h4k h GLU 38 Ca -0.01 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1h4k h GLU 38 Cb 1.22 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 30.39 1h4k h GLU 38 CO 0.12 0.59 0.00 0.41 -0.73 0.00 0.00 179.01 179.41 1h4k n GLY 39 N -1.43 2.52 3.49 1.92 0.00 -0.85 -4.88 105.19 105.97 1h4k n GLY 39 Ca 0.08 0.25 -0.23 0.00 0.00 0.00 0.00 46.02 46.12 1h4k n GLY 39 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1h4k s HIS 40 N 0.00 2.12 0.19 1.61 -3.43 0.50 -4.63 115.29 111.65 1h4k s HIS 40 Ca 0.00 -0.85 -0.31 0.00 -0.80 0.00 0.00 55.06 53.10 1h4k s HIS 40 Cb 0.00 -1.40 -0.10 0.00 -1.43 0.00 0.00 32.58 29.65 1h4k s HIS 40 CO 0.00 0.15 1.52 0.42 -2.00 0.00 0.00 174.74 174.84 1h4k s ILE 41 N -3.11 2.64 -0.09 -5.38 1.01 -1.26 0.22 121.20 115.23 1h4k s ILE 41 Ca 0.35 0.48 -0.39 0.00 0.00 0.00 0.00 60.65 61.10 1h4k s ILE 41 Cb 0.09 -3.31 -0.17 0.00 0.01 0.00 0.00 42.46 39.08 1h4k s ILE 41 CO 0.16 0.05 1.49 -2.65 0.00 0.00 0.00 174.94 173.99 1h4k n PRO 42 N 3.40 1.03 0.00 2.79 -0.02 -1.26 -1.03 135.00 139.91 1h4k n PRO 42 Ca 0.11 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 1h4k n PRO 42 Cb 0.39 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 1h4k n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h4k n GLY 43 N 3.18 1.52 3.77 -1.23 0.00 -1.26 -5.00 105.19 106.17 1h4k n GLY 43 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 1h4k n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h4k s ALA 44 N -2.44 3.48 -0.13 4.61 0.00 -0.20 -4.55 121.76 122.52 1h4k s ALA 44 Ca 0.00 1.42 -0.03 0.00 0.00 0.00 0.00 51.96 53.35 1h4k s ALA 44 Cb 0.00 -3.55 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 1h4k s ALA 44 CO 0.00 -0.90 -0.04 1.03 0.00 0.00 0.00 175.76 175.84 1h4k s ARG 45 N -2.05 3.46 -0.05 0.00 0.52 0.13 -4.64 118.95 116.32 1h4k s ARG 45 Ca 0.53 -0.52 -0.26 0.00 -0.52 0.00 0.00 55.73 54.96 1h4k s ARG 45 Cb -0.43 -2.84 -0.03 0.00 0.52 0.00 0.00 34.95 32.17 1h4k s ARG 45 CO 0.57 0.35 0.81 0.12 0.02 0.00 0.00 175.30 177.17 1h4k s PHE 46 N 0.07 3.59 -0.26 -0.53 5.36 -1.26 -0.50 117.98 124.46 1h4k s PHE 46 Ca -0.01 1.41 0.01 0.00 -0.96 0.00 0.00 56.93 57.39 1h4k s PHE 46 Cb -0.14 -2.94 0.07 0.00 -0.34 0.00 0.00 43.02 39.68 1h4k s PHE 46 CO 0.03 0.02 -0.01 0.08 -1.46 0.00 0.00 175.22 173.88 1h4k s VAL 47 N 0.99 1.52 0.18 3.12 1.01 -0.31 -4.94 120.40 121.96 1h4k s VAL 47 Ca 0.43 -1.39 -0.32 0.00 0.00 0.00 0.00 61.98 60.70 1h4k s VAL 47 Cb -0.19 -1.89 -0.11 0.00 0.00 0.00 0.00 36.38 34.20 1h4k s VAL 47 CO 0.21 -0.26 1.69 -0.62 0.00 0.00 0.00 175.10 176.12 1h4k s ASP 48 N 1.37 6.46 0.42 3.32 2.15 -1.26 -4.39 116.67 124.74 1h4k s ASP 48 Ca -0.01 2.76 0.23 0.00 0.43 0.00 0.00 52.55 55.97 1h4k s ASP 48 Cb -0.19 -2.59 1.23 0.00 -0.30 0.00 0.00 42.92 41.07 1h4k s ASP 48 CO -0.09 -0.93 1.74 -0.65 -0.17 0.00 0.00 175.17 175.06 1h4k h PRO 49 N 7.11 0.27 0.00 4.34 0.11 -1.86 0.27 132.00 142.24 1h4k h PRO 49 Ca -0.43 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1h4k h PRO 49 Cb 1.20 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1h4k h PRO 49 CO 0.94 0.18 -0.10 0.87 -0.21 0.00 0.00 178.00 179.69 1h4k h LYS 50 N 0.28 0.00 0.00 1.05 1.79 -1.95 -1.53 116.57 116.20 1h4k h LYS 50 Ca 0.65 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.12 1h4k h LYS 50 Cb 1.85 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.50 1h4k h LYS 50 CO -0.29 0.10 0.00 0.54 -1.08 0.00 0.00 179.45 178.71 1h4k n ARG 51 N -4.11 0.13 0.00 3.15 1.74 0.96 -2.27 116.66 116.25 1h4k n ARG 51 Ca -0.03 0.17 0.13 0.00 -0.77 0.00 0.00 57.85 57.35 1h4k n ARG 51 Cb 0.18 -1.50 0.32 0.00 -1.02 0.00 0.00 32.46 30.44 1h4k n ARG 51 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1h4k n THR 52 N -1.39 0.00 -4.35 0.55 -2.24 -0.58 -4.81 114.28 101.47 1h4k n THR 52 Ca 0.06 -0.33 -0.26 0.00 -2.27 0.00 0.00 64.05 61.25 1h4k n THR 52 Cb 0.16 0.90 -0.12 0.00 -2.10 0.00 0.00 70.33 69.17 1h4k n THR 52 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1h4k s GLN 53 N -2.09 1.30 0.17 -0.78 -0.21 -0.96 -4.22 119.66 112.86 1h4k s GLN 53 Ca 0.32 -1.31 -0.14 0.00 0.02 0.00 0.00 55.36 54.25 1h4k s GLN 53 Cb 0.20 -1.64 0.06 0.00 1.00 0.00 0.00 33.01 32.63 1h4k s GLN 53 CO 0.36 0.38 1.78 1.25 -2.12 0.00 0.00 175.29 176.93 1h4k h LEU 54 N 3.80 0.66 0.34 2.90 5.85 -0.91 -3.40 115.31 124.55 1h4k h LEU 54 Ca -0.48 -0.09 -0.15 0.00 0.84 0.00 0.00 57.88 58.01 1h4k h LEU 54 Cb 1.18 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.99 1h4k h LEU 54 CO 0.42 0.56 -0.13 0.61 -0.34 0.00 0.00 178.44 179.55 1h4k n GLY 55 N -1.03 0.90 3.07 3.75 0.00 -0.83 -4.94 105.19 106.10 1h4k n GLY 55 Ca 0.03 -0.43 -0.17 0.00 0.00 0.00 0.00 46.02 45.45 1h4k n GLY 55 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1h4k s GLN 56 N -2.31 0.71 0.88 1.61 -0.21 -1.26 -4.92 119.66 114.16 1h4k s GLN 56 Ca 0.00 -0.57 -0.10 0.00 0.02 0.00 0.00 55.36 54.70 1h4k s GLN 56 Cb 0.00 -0.65 0.12 0.00 1.00 0.00 0.00 33.01 33.48 1h4k s GLN 56 CO 0.00 0.16 1.13 -1.25 -2.12 0.00 0.00 175.29 173.21 1h4k s PRO 57 N -0.88 1.34 0.00 2.91 0.04 -1.26 -2.41 135.00 134.74 1h4k s PRO 57 Ca -0.01 1.41 0.28 0.00 0.04 0.00 0.00 61.00 62.73 1h4k s PRO 57 Cb -0.06 -1.77 1.04 0.00 0.04 0.00 0.00 34.50 33.74 1h4k s PRO 57 CO 0.00 -2.36 1.77 -0.35 0.04 0.00 0.00 177.00 176.11 1h4k n PRO 58 N -4.04 0.19 -3.67 0.56 -0.04 -1.26 -4.86 135.00 121.87 1h4k n PRO 58 Ca 0.11 -0.06 -0.29 0.00 -0.04 0.00 0.00 63.50 63.23 1h4k n PRO 58 Cb 0.52 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.37 1h4k n PRO 58 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1h4k s ALA 59 N -2.85 2.33 -0.46 0.55 0.00 -1.21 -4.61 121.76 115.52 1h4k s ALA 59 Ca 0.17 -2.84 0.23 0.00 0.00 0.00 0.00 51.96 49.53 1h4k s ALA 59 Cb 0.19 -1.88 0.99 0.00 0.00 0.00 0.00 23.12 22.43 1h4k s ALA 59 CO 0.56 -2.05 1.70 -0.35 0.00 0.00 0.00 175.76 175.62 1h4k n PRO 60 N 3.01 0.19 0.00 0.00 -0.04 -1.01 -2.70 135.00 134.45 1h4k n PRO 60 Ca 0.16 0.44 0.12 0.00 -0.04 0.00 0.00 63.50 64.19 1h4k n PRO 60 Cb 0.38 -1.88 0.58 0.00 -0.04 0.00 0.00 33.50 32.54 1h4k n PRO 60 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1h4k n GLY 61 N -0.12 -1.30 3.57 0.55 0.00 -1.26 -1.97 105.19 104.66 1h4k n GLY 61 Ca 0.02 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 1h4k n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h4k s LEU 62 N -2.87 1.20 0.65 0.99 1.43 -1.10 -4.71 118.68 114.27 1h4k s LEU 62 Ca 0.16 1.42 -0.15 0.00 -1.03 0.00 0.00 54.13 54.53 1h4k s LEU 62 Cb 0.17 -3.45 -0.01 0.00 0.03 0.00 0.00 46.19 42.93 1h4k s LEU 62 CO 0.44 -3.76 1.10 0.00 0.23 0.00 0.00 176.35 174.36 1h4k s GLN 63 N -4.66 2.90 0.92 1.70 -2.07 -1.26 -1.28 119.66 115.92 1h4k s GLN 63 Ca 0.67 1.35 -0.11 0.00 -1.82 0.00 0.00 55.36 55.45 1h4k s GLN 63 Cb -0.22 -1.97 0.15 0.00 -1.09 0.00 0.00 33.01 29.88 1h4k s GLN 63 CO 0.62 -1.16 1.10 -2.14 -1.32 0.00 0.00 175.29 172.39 1h4k s PRO 64 N -4.10 0.99 0.95 9.60 0.02 -1.26 -4.04 135.00 137.16 1h4k s PRO 64 Ca 0.66 1.20 -0.11 0.00 0.02 0.00 0.00 61.00 62.77 1h4k s PRO 64 Cb -0.20 -1.75 0.16 0.00 0.02 0.00 0.00 34.50 32.74 1h4k s PRO 64 CO 0.41 -2.54 1.09 -2.14 -0.33 0.00 0.00 177.00 173.49 1h4k s PRO 65 N -4.73 0.78 0.25 5.54 0.02 -1.26 -4.78 135.00 130.82 1h4k s PRO 65 Ca 0.65 1.08 -0.03 0.00 0.02 0.00 0.00 61.00 62.72 1h4k s PRO 65 Cb -0.21 -1.73 0.45 0.00 0.02 0.00 0.00 34.50 33.02 1h4k s PRO 65 CO 0.58 -2.64 1.78 -0.09 -0.33 0.00 0.00 177.00 176.31 1h4k h ARG 66 N -1.85 0.66 -0.39 5.54 2.43 -2.00 -2.58 114.38 116.19 1h4k h ARG 66 Ca -0.50 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 58.66 1h4k h ARG 66 Cb 1.28 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.66 1h4k h ARG 66 CO 0.49 0.44 0.21 0.93 -1.51 0.00 0.00 179.97 180.53 1h4k h GLU 67 N 0.68 0.42 -0.67 0.20 3.07 -1.99 -0.17 114.58 116.12 1h4k h GLU 67 Ca 0.42 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 59.23 1h4k h GLU 67 Cb 0.49 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.28 1h4k h GLU 67 CO -0.30 0.28 0.34 1.96 -1.40 0.00 0.00 179.01 179.88 1h4k h GLN 68 N 0.44 0.96 -0.39 2.33 7.50 -1.84 -2.07 115.11 122.04 1h4k h GLN 68 Ca 0.16 -0.14 -0.02 0.00 0.50 0.00 0.00 58.65 59.15 1h4k h GLN 68 Cb 0.04 -0.18 -0.02 0.00 0.05 0.00 0.00 27.48 27.37 1h4k h GLN 68 CO -0.09 0.76 0.15 -0.07 -1.50 0.00 0.00 178.83 178.07 1h4k h LEU 69 N 0.93 0.55 -1.05 1.46 3.38 -1.07 0.83 115.31 120.34 1h4k h LEU 69 Ca 0.23 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1h4k h LEU 69 Cb 0.10 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1h4k h LEU 69 CO -0.03 0.58 0.19 -0.33 0.09 0.00 0.00 178.44 178.94 1h4k h GLU 70 N 0.49 0.87 -0.13 1.13 5.08 -0.86 -0.66 114.58 120.49 1h4k h GLU 70 Ca 0.13 -0.16 -0.11 0.00 -1.00 0.00 0.00 59.36 58.22 1h4k h GLU 70 Cb 0.21 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.32 1h4k h GLU 70 CO -0.01 0.75 -0.36 0.77 -1.00 0.00 0.00 179.01 179.15 1h4k h SER 71 N 0.85 0.55 0.46 1.42 0.02 -1.17 -1.50 113.55 114.17 1h4k h SER 71 Ca 0.20 -0.59 -0.01 0.00 -0.84 0.00 0.00 61.79 60.54 1h4k h SER 71 Cb 0.23 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1h4k h SER 71 CO -0.01 1.04 -0.31 0.25 -1.14 0.00 0.00 176.83 176.66 1h4k h LEU 72 N 0.08 -0.78 -1.59 5.07 5.85 -0.57 -0.80 115.31 122.57 1h4k h LEU 72 Ca -0.01 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 1h4k h LEU 72 Cb 0.98 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 1h4k h LEU 72 CO 0.08 -0.47 -0.21 -0.26 -0.34 0.00 0.00 178.44 177.23 1h4k h PHE 73 N -0.74 0.00 -0.44 1.25 0.04 -1.22 -1.39 116.94 114.44 1h4k h PHE 73 Ca -0.05 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.61 1h4k h PHE 73 Cb 0.62 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.75 1h4k h PHE 73 CO -0.12 0.21 -0.14 0.78 -0.60 0.00 0.00 178.31 178.44 1h4k h GLY 74 N 1.09 0.94 1.69 -1.45 0.00 -0.95 -0.14 103.07 104.25 1h4k h GLY 74 Ca -0.00 -0.80 -0.09 0.00 0.00 0.00 0.00 47.33 46.43 1h4k h GLY 74 CO 0.03 0.73 -0.29 0.83 0.00 0.00 0.00 176.54 177.84 1h4k h GLU 75 N 0.70 0.36 0.00 4.80 5.08 -0.46 -2.56 114.58 122.50 1h4k h GLU 75 Ca 0.11 -0.14 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1h4k h GLU 75 Cb 0.69 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 1h4k h GLU 75 CO 0.05 0.62 -0.17 -0.07 -1.00 0.00 0.00 179.01 178.45 1h4k h LEU 76 N 0.32 0.00 0.00 1.33 3.38 -1.02 -1.20 115.31 118.12 1h4k h LEU 76 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1h4k h LEU 76 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1h4k h LEU 76 CO 0.05 0.17 0.00 0.61 0.09 0.00 0.00 178.44 179.36 1h4k n GLY 77 N 0.39 1.08 3.72 0.83 0.00 -0.66 -4.72 105.19 105.83 1h4k n GLY 77 Ca 0.01 -0.12 -0.61 0.00 0.00 0.00 0.00 46.02 45.29 1h4k n GLY 77 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1h4k n HIS 78 N -1.98 1.93 -3.92 1.61 -0.00 -0.15 -4.93 115.22 107.78 1h4k n HIS 78 Ca 0.00 0.76 -0.09 0.00 0.46 0.00 0.00 57.72 58.85 1h4k n HIS 78 Cb 0.01 -2.37 -0.07 0.00 -0.12 0.00 0.00 29.99 27.44 1h4k n HIS 78 CO 0.00 0.00 0.00 -0.98 0.46 0.00 0.00 176.34 175.82 1h4k s ARG 79 N 3.29 1.02 0.25 1.57 1.70 -1.26 -4.92 118.95 120.59 1h4k s ARG 79 Ca 1.01 -1.08 -0.04 0.00 -0.47 0.00 0.00 55.73 55.15 1h4k s ARG 79 Cb -1.23 0.36 0.50 0.00 -0.57 0.00 0.00 34.95 34.01 1h4k s ARG 79 CO 0.71 -0.35 1.69 -1.35 -1.08 0.00 0.00 175.30 174.92 1h4k h PRO 80 N 2.63 0.29 0.00 3.89 0.11 -2.02 -1.48 132.00 135.42 1h4k h PRO 80 Ca -0.33 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1h4k h PRO 80 Cb 1.22 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.26 1h4k h PRO 80 CO 0.52 0.20 0.00 0.39 -0.21 0.00 0.00 178.00 178.89 1h4k n GLU 81 N -5.13 0.08 -1.62 1.05 4.71 -1.26 -4.92 120.64 113.55 1h4k n GLU 81 Ca 0.15 0.15 -0.46 0.00 -0.01 0.00 0.00 57.16 57.00 1h4k n GLU 81 Cb 0.48 -1.61 -0.03 0.00 -1.01 0.00 0.00 31.44 29.28 1h4k n GLU 81 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1h4k n ALA 82 N -1.60 0.10 -3.90 0.62 0.00 -0.56 -4.81 120.51 110.37 1h4k n ALA 82 Ca 0.05 0.42 -0.27 0.00 0.00 0.00 0.00 53.44 53.64 1h4k n ALA 82 Cb 0.31 -2.11 -0.17 0.00 0.00 0.00 0.00 19.45 17.48 1h4k n ALA 82 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1h4k s VAL 83 N -0.51 1.03 -0.01 0.00 1.01 -0.21 -4.69 120.40 117.03 1h4k s VAL 83 Ca 0.66 -0.34 -0.13 0.00 0.00 0.00 0.00 61.98 62.16 1h4k s VAL 83 Cb -0.72 -1.08 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 1h4k s VAL 83 CO 0.55 0.32 0.37 -0.31 0.00 0.00 0.00 175.10 176.04 1h4k s TYR 84 N 1.70 3.70 -0.13 5.22 1.51 -0.82 -1.44 117.35 127.09 1h4k s TYR 84 Ca 0.04 0.92 -0.00 0.00 -1.01 0.00 0.00 57.07 57.02 1h4k s TYR 84 Cb -0.13 -2.23 0.02 0.00 -0.11 0.00 0.00 41.96 39.51 1h4k s TYR 84 CO -0.08 0.65 -0.11 0.08 -1.11 0.00 0.00 175.55 174.98 1h4k s VAL 85 N -1.10 1.31 0.01 0.71 1.01 -1.10 0.72 120.40 121.96 1h4k s VAL 85 Ca 0.23 -0.47 0.05 0.00 0.00 0.00 0.00 61.98 61.79 1h4k s VAL 85 Cb -0.16 -1.27 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 1h4k s VAL 85 CO 0.13 0.41 -0.13 -0.69 0.00 0.00 0.00 175.10 174.82 1h4k s VAL 86 N 1.59 3.18 0.11 2.92 1.01 0.10 -0.93 120.40 128.38 1h4k s VAL 86 Ca 0.05 -0.96 -0.21 0.00 0.00 0.00 0.00 61.98 60.86 1h4k s VAL 86 Cb -0.13 -2.35 0.05 0.00 0.00 0.00 0.00 36.38 33.96 1h4k s VAL 86 CO -0.09 0.39 0.52 -0.72 0.00 0.00 0.00 175.10 175.19 1h4k s TYR 87 N -0.93 -0.41 0.00 5.22 -0.85 -0.67 -1.69 117.35 118.02 1h4k s TYR 87 Ca 0.15 0.27 0.00 0.00 -0.52 0.00 0.00 57.07 56.98 1h4k s TYR 87 Cb -0.11 0.40 0.00 0.00 0.38 0.00 0.00 41.96 42.63 1h4k s TYR 87 CO 0.06 -0.73 0.00 -0.40 -1.52 0.00 0.00 175.55 172.96 1h4k n ASP 88 N -0.03 0.00 -1.39 -0.18 3.85 -1.26 -0.76 116.55 116.78 1h4k n ASP 88 Ca -0.17 -0.72 -0.01 0.00 -0.71 0.00 0.00 54.79 53.18 1h4k n ASP 88 Cb 0.63 0.00 0.10 0.00 -1.35 0.00 0.00 41.12 40.50 1h4k n ASP 88 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 1h4k n ASP 89 N -2.07 2.04 -0.26 -1.12 5.75 -1.26 -1.21 116.55 118.42 1h4k n ASP 89 Ca 0.00 -3.09 0.03 0.00 -0.01 0.00 0.00 54.79 51.72 1h4k n ASP 89 Cb 0.00 -0.42 0.04 0.00 -1.03 0.00 0.00 41.12 39.70 1h4k n ASP 89 CO 0.00 0.00 0.00 -1.84 -0.11 0.00 0.00 177.20 175.25 1h4k n GLU 90 N -0.51 0.59 -0.28 0.11 0.28 -1.26 -4.84 120.64 114.73 1h4k n GLU 90 Ca 0.18 -1.37 0.00 0.00 -0.16 0.00 0.00 57.16 55.81 1h4k n GLU 90 Cb 0.89 -0.80 0.00 0.00 1.43 0.00 0.00 31.44 32.96 1h4k n GLU 90 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1h4k n GLY 91 N -0.41 0.80 0.00 -1.84 0.00 -1.26 -4.47 105.19 98.00 1h4k n GLY 91 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1h4k n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h4k n GLY 92 N -2.20 0.65 0.37 -0.02 0.00 -1.26 -4.90 105.19 97.82 1h4k n GLY 92 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1h4k n GLY 92 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1h4k h GLY 93 N 0.00 -1.08 1.09 -0.02 0.00 -1.84 0.12 103.07 101.35 1h4k h GLY 93 Ca 0.00 0.47 -0.06 0.00 0.00 0.00 0.00 47.33 47.74 1h4k h GLY 93 CO 0.00 -0.35 0.24 1.49 0.00 0.00 0.00 176.54 177.92 1h4k h TRP 94 N -0.79 1.17 -0.78 5.60 -0.00 -1.90 -1.49 115.95 117.77 1h4k h TRP 94 Ca -0.06 -0.11 -0.00 0.00 -0.00 0.00 0.00 58.89 58.71 1h4k h TRP 94 Cb 0.66 -0.34 -0.04 0.00 -0.00 0.00 0.00 29.16 29.44 1h4k h TRP 94 CO -0.12 0.92 0.47 0.00 -0.00 0.00 0.00 178.44 179.71 1h4k h ALA 95 N 1.16 0.99 -0.35 1.49 0.00 -1.83 -0.24 119.26 120.49 1h4k h ALA 95 Ca 0.24 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 1h4k h ALA 95 Cb 0.29 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1h4k h ALA 95 CO -0.01 0.45 -0.22 0.78 0.00 0.00 0.00 179.25 180.25 1h4k h GLY 96 N 1.06 0.72 1.54 0.00 0.00 -0.40 -1.32 103.07 104.68 1h4k h GLY 96 Ca 0.28 -0.60 -0.10 0.00 0.00 0.00 0.00 47.33 46.91 1h4k h GLY 96 CO -0.05 0.55 -0.24 -0.09 0.00 0.00 0.00 176.54 176.70 1h4k h ARG 97 N 0.59 0.53 -0.35 4.80 2.43 -0.76 -1.52 114.38 120.10 1h4k h ARG 97 Ca 0.09 -0.20 -0.12 0.00 -0.81 0.00 0.00 59.98 58.93 1h4k h ARG 97 Cb 0.69 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.20 1h4k h ARG 97 CO 0.05 0.73 -0.28 0.35 -1.51 0.00 0.00 179.97 179.31 1h4k h PHE 98 N 0.47 0.85 -0.20 2.20 3.57 -0.66 -1.30 116.94 121.87 1h4k h PHE 98 Ca 0.07 -0.21 -0.07 0.00 3.53 0.00 0.00 57.97 61.29 1h4k h PHE 98 Cb 0.67 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 1h4k h PHE 98 CO 0.02 0.94 -0.19 0.82 -2.23 0.00 0.00 178.31 177.67 1h4k h ILE 99 N 0.63 1.23 -0.68 1.41 2.04 -0.83 0.13 117.51 121.43 1h4k h ILE 99 Ca 0.08 -1.04 -0.08 0.00 1.00 0.00 0.00 64.86 64.82 1h4k h ILE 99 Cb 0.80 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 38.14 1h4k h ILE 99 CO 0.07 0.33 0.13 -0.25 0.00 0.00 0.00 178.15 178.43 1h4k h TRP 100 N 0.32 1.18 -0.35 1.37 7.01 -0.74 -1.01 115.95 123.73 1h4k h TRP 100 Ca 0.06 -0.16 -0.08 0.00 2.11 0.00 0.00 58.89 60.82 1h4k h TRP 100 Cb 0.52 -0.33 -0.02 0.00 -2.10 0.00 0.00 29.16 27.24 1h4k h TRP 100 CO 0.01 0.98 -0.11 -0.07 -2.79 0.00 0.00 178.44 176.46 1h4k h LEU 101 N 1.04 0.58 -0.96 0.65 3.38 -0.07 -0.10 115.31 119.84 1h4k h LEU 101 Ca 0.21 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1h4k h LEU 101 Cb 0.42 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 1h4k h LEU 101 CO 0.01 0.72 0.52 -0.07 0.09 0.00 0.00 178.44 179.71 1h4k h LEU 102 N 0.55 1.11 -0.58 1.67 3.38 -0.01 -0.50 115.31 120.94 1h4k h LEU 102 Ca 0.10 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 1h4k h LEU 102 Cb 0.51 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1h4k h LEU 102 CO 0.03 0.87 0.01 0.44 0.09 0.00 0.00 178.44 179.89 1h4k h ASP 103 N 1.26 0.99 -0.60 -0.43 3.32 -0.34 0.08 116.42 120.70 1h4k h ASP 103 Ca 0.32 -0.30 0.04 0.00 0.02 0.00 0.00 57.03 57.12 1h4k h ASP 103 Cb -0.01 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.24 1h4k h ASP 103 CO -0.06 1.05 0.40 0.58 -1.72 0.00 0.00 179.24 179.49 1h4k h VAL 104 N 0.91 1.04 -0.60 -1.35 2.07 0.14 -1.87 116.25 116.60 1h4k h VAL 104 Ca 0.17 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1h4k h VAL 104 Cb 0.53 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1h4k h VAL 104 CO 0.03 0.12 0.00 2.30 0.02 0.00 0.00 177.57 180.04 1h4k n ILE 105 N -4.47 0.98 -1.00 4.57 -5.35 -0.31 0.48 119.36 114.26 1h4k n ILE 105 Ca 0.08 -0.86 -0.00 0.00 -0.27 0.00 0.00 62.75 61.70 1h4k n ILE 105 Cb 0.18 0.33 -0.00 0.00 -1.74 0.00 0.00 39.64 38.41 1h4k n ILE 105 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1h4k n GLY 106 N 1.37 0.46 3.73 3.28 0.00 -0.70 -4.50 105.19 108.82 1h4k n GLY 106 Ca 0.21 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1h4k n GLY 106 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1h4k s GLN 107 N -0.25 4.29 -0.20 1.61 2.00 -0.03 -4.91 119.66 122.17 1h4k s GLN 107 Ca 0.00 2.22 0.12 0.00 -2.00 0.00 0.00 55.36 55.70 1h4k s GLN 107 Cb 0.00 -3.16 -0.21 0.00 0.80 0.00 0.00 33.01 30.44 1h4k s GLN 107 CO 0.00 -0.43 -0.01 1.04 -0.50 0.00 0.00 175.29 175.39 1h4k n GLN 108 N 3.08 0.89 -3.64 1.67 1.13 -1.26 -4.48 117.38 114.78 1h4k n GLN 108 Ca 0.09 0.03 -0.39 0.00 -1.94 0.00 0.00 57.00 54.80 1h4k n GLN 108 Cb 0.41 -1.47 -0.12 0.00 0.11 0.00 0.00 30.24 29.17 1h4k n GLN 108 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 1h4k s ARG 109 N -2.45 3.39 0.15 -1.09 0.52 -1.26 -5.05 118.95 113.16 1h4k s ARG 109 Ca -0.15 -0.68 -0.24 0.00 -0.52 0.00 0.00 55.73 54.13 1h4k s ARG 109 Cb 0.06 -3.58 0.07 0.00 0.52 0.00 0.00 34.95 32.01 1h4k s ARG 109 CO 0.69 -0.40 0.76 1.52 0.02 0.00 0.00 175.30 177.90 1h4k s TYR 110 N 1.63 -0.34 0.04 -0.53 -0.85 -1.26 -1.95 117.35 114.09 1h4k s TYR 110 Ca 0.05 0.07 -0.10 0.00 -0.52 0.00 0.00 57.07 56.57 1h4k s TYR 110 Cb -0.17 0.60 0.01 0.00 0.38 0.00 0.00 41.96 42.78 1h4k s TYR 110 CO 0.07 -0.86 0.21 -1.01 -1.52 0.00 0.00 175.55 172.44 1h4k s HIS 111 N -3.55 0.03 -0.14 -3.49 3.76 0.22 -4.76 115.29 107.37 1h4k s HIS 111 Ca 0.06 -0.25 -0.03 0.00 -0.15 0.00 0.00 55.06 54.70 1h4k s HIS 111 Cb -0.02 -0.01 -0.03 0.00 1.11 0.00 0.00 32.58 33.63 1h4k s HIS 111 CO -0.05 -0.45 -0.04 -0.47 -0.85 0.00 0.00 174.74 172.89 1h4k s TYR 112 N -2.61 3.02 -0.51 1.40 6.14 -0.19 -0.72 117.35 123.87 1h4k s TYR 112 Ca -0.05 -0.22 -0.28 0.00 0.64 0.00 0.00 57.07 57.16 1h4k s TYR 112 Cb -0.01 -1.91 0.03 0.00 0.42 0.00 0.00 41.96 40.49 1h4k s TYR 112 CO -0.04 0.05 1.11 -1.17 0.64 0.00 0.00 175.55 176.14 1h4k s LEU 113 N 0.10 3.66 -0.10 6.97 2.96 -0.68 -0.95 118.68 130.63 1h4k s LEU 113 Ca -0.01 0.24 -0.33 0.00 -0.22 0.00 0.00 54.13 53.82 1h4k s LEU 113 Cb -0.14 -3.33 -0.11 0.00 0.50 0.00 0.00 46.19 43.12 1h4k s LEU 113 CO 0.03 -1.30 1.96 -3.20 -1.32 0.00 0.00 176.35 172.52 1h4k n ASN 114 N 7.92 3.46 0.00 3.68 5.15 0.21 -0.28 115.26 135.40 1h4k n ASN 114 Ca 0.09 0.84 0.00 0.00 -0.60 0.00 0.00 54.58 54.91 1h4k n ASN 114 Cb 0.49 -1.41 0.00 0.00 -0.53 0.00 0.00 39.78 38.33 1h4k n ASN 114 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1h4k n GLY 115 N 4.75 1.55 7.00 8.20 0.00 -1.26 -4.69 105.19 120.75 1h4k n GLY 115 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1h4k n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h4k n GLY 116 N -2.00 1.65 0.32 -0.02 0.00 0.62 -1.40 105.19 104.36 1h4k n GLY 116 Ca 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 46.02 45.75 1h4k n GLY 116 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1h4k h LEU 117 N 0.00 0.67 0.03 0.99 6.46 -1.49 -1.94 115.31 120.03 1h4k h LEU 117 Ca 0.00 -0.04 0.03 0.00 -0.12 0.00 0.00 57.88 57.75 1h4k h LEU 117 Cb 0.00 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 39.72 1h4k h LEU 117 CO 0.00 0.52 -0.23 0.74 -0.62 0.00 0.00 178.44 178.85 1h4k h THR 118 N 0.78 0.47 -0.68 1.05 2.02 -1.61 0.41 112.91 115.33 1h4k h THR 118 Ca 0.20 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.32 1h4k h THR 118 Cb -0.02 0.47 -0.03 0.00 -1.74 0.00 0.00 68.15 66.83 1h4k h THR 118 CO -0.04 0.00 0.19 0.00 0.37 0.00 0.00 175.52 176.04 1h4k h ALA 119 N 0.45 0.90 -0.46 6.16 0.00 -0.99 -0.22 119.26 125.10 1h4k h ALA 119 Ca 0.05 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1h4k h ALA 119 Cb 0.45 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1h4k h ALA 119 CO -0.19 0.60 0.29 2.35 0.00 0.00 0.00 179.25 182.30 1h4k h TRP 120 N 1.01 0.55 -0.36 0.00 2.91 -0.74 -2.52 115.95 116.80 1h4k h TRP 120 Ca 0.22 0.01 -0.16 0.00 1.13 0.00 0.00 58.89 60.09 1h4k h TRP 120 Cb 0.33 -0.18 -0.00 0.00 -0.51 0.00 0.00 29.16 28.80 1h4k h TRP 120 CO 0.03 0.33 -0.41 -0.07 -1.03 0.00 0.00 178.44 177.29 1h4k h LEU 121 N 0.59 0.99 -2.21 0.65 3.38 -0.01 -2.53 115.31 116.17 1h4k h LEU 121 Ca 0.18 -0.48 0.05 0.00 0.09 0.00 0.00 57.88 57.72 1h4k h LEU 121 Cb -0.03 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 1h4k h LEU 121 CO -0.06 1.27 0.16 0.00 0.09 0.00 0.00 178.44 179.90 1h4k h ALA 122 N 0.75 1.87 -0.65 1.53 0.00 -0.76 0.21 119.26 122.21 1h4k h ALA 122 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1h4k h ALA 122 Cb 1.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1h4k h ALA 122 CO 0.10 -0.25 0.00 0.39 0.00 0.00 0.00 179.25 179.49 1h4k n GLU 123 N -3.98 3.50 -4.02 0.00 1.02 -0.97 -4.97 120.64 111.21 1h4k n GLU 123 Ca 0.01 -2.82 -0.28 0.00 -0.02 0.00 0.00 57.16 54.05 1h4k n GLU 123 Cb 0.28 -1.81 -0.02 0.00 -0.02 0.00 0.00 31.44 29.87 1h4k n GLU 123 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1h4k n ASP 124 N 1.18 -1.11 -4.90 1.62 9.92 0.74 -4.96 116.55 119.05 1h4k n ASP 124 Ca 0.25 -1.01 -0.28 0.00 -0.53 0.00 0.00 54.79 53.22 1h4k n ASP 124 Cb 0.82 -2.98 0.00 0.00 -0.64 0.00 0.00 41.12 38.33 1h4k n ASP 124 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1h4k s ARG 125 N -6.67 3.52 0.21 -1.24 0.52 -0.97 -5.00 118.95 109.33 1h4k s ARG 125 Ca 0.19 0.35 -0.30 0.00 -0.52 0.00 0.00 55.73 55.45 1h4k s ARG 125 Cb -0.10 -2.28 -0.16 0.00 0.52 0.00 0.00 34.95 32.93 1h4k s ARG 125 CO 0.90 -0.34 0.94 -2.30 0.02 0.00 0.00 175.30 174.52 1h4k n PRO 126 N -2.42 0.88 -4.33 3.54 -0.02 -1.26 -4.89 135.00 126.50 1h4k n PRO 126 Ca 0.02 0.31 -0.21 0.00 -2.02 0.00 0.00 63.50 61.61 1h4k n PRO 126 Cb 0.55 -1.64 -0.11 0.00 -0.02 0.00 0.00 33.50 32.28 1h4k n PRO 126 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1h4k s LEU 127 N 1.11 2.47 0.03 2.45 1.43 -1.26 -4.37 118.68 120.54 1h4k s LEU 127 Ca 0.67 -0.90 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 1h4k s LEU 127 Cb -0.84 -0.77 -0.02 0.00 0.03 0.00 0.00 46.19 44.58 1h4k s LEU 127 CO 0.56 -0.08 -0.05 -0.55 0.23 0.00 0.00 176.35 176.47 1h4k s SER 128 N -2.85 0.47 -0.03 2.29 0.15 0.13 -4.81 113.70 109.06 1h4k s SER 128 Ca 0.17 -0.56 0.04 0.00 0.70 0.00 0.00 55.95 56.31 1h4k s SER 128 Cb -0.04 0.09 0.06 0.00 -1.71 0.00 0.00 66.02 64.42 1h4k s SER 128 CO 0.07 -0.29 1.02 0.54 1.20 0.00 0.00 173.24 175.78 1h4k n ARG 129 N 1.44 2.52 -3.32 5.44 1.74 -1.26 -0.37 116.66 122.85 1h4k n ARG 129 Ca -0.23 -1.71 -0.33 0.00 -0.77 0.00 0.00 57.85 54.81 1h4k n ARG 129 Cb 0.55 -1.09 -0.06 0.00 -1.02 0.00 0.00 32.46 30.84 1h4k n ARG 129 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1h4k s GLU 130 N -1.38 3.92 -0.23 5.56 2.12 -1.26 -5.00 118.70 122.43 1h4k s GLU 130 Ca 0.07 0.45 -0.15 0.00 0.36 0.00 0.00 54.97 55.71 1h4k s GLU 130 Cb 0.06 -2.69 -0.04 0.00 0.26 0.00 0.00 34.13 31.72 1h4k s GLU 130 CO 0.01 0.33 0.36 -0.51 -0.54 0.00 0.00 175.26 174.90 1h4k s LEU 131 N -2.58 4.11 0.55 2.70 1.43 -1.26 -4.85 118.68 118.78 1h4k s LEU 131 Ca 0.46 0.39 -0.18 0.00 -1.03 0.00 0.00 54.13 53.76 1h4k s LEU 131 Cb -0.12 -2.43 -0.05 0.00 0.03 0.00 0.00 46.19 43.61 1h4k s LEU 131 CO 0.20 -0.09 1.09 -2.84 0.23 0.00 0.00 176.35 174.93 1h4k s PRO 132 N 1.52 3.40 -0.05 1.29 0.02 -1.26 -4.96 135.00 134.97 1h4k s PRO 132 Ca 0.16 1.44 -0.30 0.00 0.02 0.00 0.00 61.00 62.32 1h4k s PRO 132 Cb -0.15 -2.03 -0.04 0.00 0.02 0.00 0.00 34.50 32.31 1h4k s PRO 132 CO 0.08 -0.77 1.23 0.00 -0.33 0.00 0.00 177.00 177.20 1h4k s ALA 133 N -2.03 3.50 0.74 -1.55 0.00 -1.26 -4.99 121.76 116.18 1h4k s ALA 133 Ca 0.69 0.66 -0.15 0.00 0.00 0.00 0.00 51.96 53.15 1h4k s ALA 133 Cb -0.20 -3.52 0.04 0.00 0.00 0.00 0.00 23.12 19.43 1h4k s ALA 133 CO 0.29 -0.77 1.19 -2.30 0.00 0.00 0.00 175.76 174.16 1h4k n PRO 134 N 5.19 0.57 0.00 0.00 -0.02 -1.26 -4.97 135.00 134.50 1h4k n PRO 134 Ca 0.11 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 1h4k n PRO 134 Cb 0.46 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 1h4k n PRO 134 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1h4k n ALA 135 N -2.66 -0.14 -2.93 3.55 0.00 -0.45 -5.03 120.51 112.84 1h4k n ALA 135 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1h4k n ALA 135 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.94 1h4k n ALA 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h4k n GLY 136 N 0.20 1.21 3.59 0.00 0.00 -1.07 -5.01 105.19 104.11 1h4k n GLY 136 Ca 0.00 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 1h4k n GLY 136 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h4k s GLY 137 N 0.00 1.56 0.50 -0.02 0.00 -1.26 -3.67 107.32 104.42 1h4k s GLY 137 Ca 0.00 -0.67 -0.23 0.00 0.00 0.00 0.00 44.72 43.82 1h4k s GLY 137 CO 0.00 0.12 1.29 -4.14 0.00 0.00 0.00 173.10 170.37 1h4k s PRO 138 N -5.14 3.45 0.11 2.90 0.02 -1.26 -4.39 135.00 130.68 1h4k s PRO 138 Ca 0.69 2.09 0.07 0.00 0.02 0.00 0.00 61.00 63.86 1h4k s PRO 138 Cb -0.14 -2.37 -0.04 0.00 0.02 0.00 0.00 34.50 31.96 1h4k s PRO 138 CO 0.57 -0.90 -0.09 0.14 -0.33 0.00 0.00 177.00 176.40 1h4k s VAL 139 N -1.37 3.44 0.24 3.83 -7.23 -0.77 -4.92 120.40 113.61 1h4k s VAL 139 Ca 0.67 -1.26 -0.30 0.00 -1.81 0.00 0.00 61.98 59.28 1h4k s VAL 139 Cb -0.36 -2.62 -0.09 0.00 0.56 0.00 0.00 36.38 33.86 1h4k s VAL 139 CO 0.44 0.10 1.29 0.00 -0.31 0.00 0.00 175.10 176.62 1h4k s ALA 140 N -1.26 3.51 0.09 1.32 0.00 -1.26 -4.53 121.76 119.63 1h4k s ALA 140 Ca 0.22 1.13 0.09 0.00 0.00 0.00 0.00 51.96 53.40 1h4k s ALA 140 Cb -0.11 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.51 1h4k s ALA 140 CO 0.14 -0.53 -0.23 -0.51 0.00 0.00 0.00 175.76 174.64 1h4k s LEU 141 N -0.72 2.26 -0.44 0.00 1.43 -1.26 -5.09 118.68 114.87 1h4k s LEU 141 Ca 0.53 -0.66 -0.11 0.00 -1.03 0.00 0.00 54.13 52.87 1h4k s LEU 141 Cb -0.37 -1.04 0.08 0.00 0.03 0.00 0.00 46.19 44.90 1h4k s LEU 141 CO 0.43 0.13 0.30 -0.55 0.23 0.00 0.00 176.35 176.89 1h4k s SER 142 N -1.72 5.77 0.19 2.29 0.15 -1.26 -5.07 113.70 114.05 1h4k s SER 142 Ca 0.09 -1.50 -0.21 0.00 0.70 0.00 0.00 55.95 55.03 1h4k s SER 142 Cb -0.10 -2.04 -0.08 0.00 -1.71 0.00 0.00 66.02 62.10 1h4k s SER 142 CO 0.04 -0.58 0.72 -0.76 1.20 0.00 0.00 173.24 173.86 1h4k s LEU 143 N 1.47 4.42 -0.02 3.45 1.43 -1.26 -4.03 118.68 124.15 1h4k s LEU 143 Ca 0.03 1.45 0.07 0.00 -1.03 0.00 0.00 54.13 54.65 1h4k s LEU 143 Cb -0.24 -3.44 -0.02 0.00 0.03 0.00 0.00 46.19 42.52 1h4k s LEU 143 CO 0.03 0.10 -0.21 -1.00 0.23 0.00 0.00 176.35 175.50 1h4k s HIS 144 N -1.39 1.90 -0.15 0.29 3.76 0.18 -5.00 115.29 114.88 1h4k s HIS 144 Ca 0.40 -0.36 0.19 0.00 -0.15 0.00 0.00 55.06 55.14 1h4k s HIS 144 Cb -0.18 -1.22 -0.12 0.00 1.11 0.00 0.00 32.58 32.16 1h4k s HIS 144 CO 0.22 -0.03 0.81 -0.25 -0.85 0.00 0.00 174.74 174.64 1h4k n ASP 145 N 2.55 0.71 -0.31 1.40 10.43 -1.26 -4.44 116.55 125.63 1h4k n ASP 145 Ca -0.15 0.30 0.15 0.00 2.57 0.00 0.00 54.79 57.66 1h4k n ASP 145 Cb 0.53 0.50 0.33 0.00 1.84 0.00 0.00 41.12 44.32 1h4k n ASP 145 CO 0.00 0.00 0.00 -0.08 -1.07 0.00 0.00 177.20 176.05 1h4k h GLU 146 N 0.00 0.36 0.00 -1.24 4.81 -1.96 0.84 114.58 117.38 1h4k h GLU 146 Ca -0.12 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1h4k h GLU 146 Cb 1.37 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1h4k h GLU 146 CO 0.03 0.24 0.00 -2.30 -0.73 0.00 0.00 179.01 176.24 1h4k n PRO 147 N -5.07 0.20 -4.75 0.92 -0.02 -1.26 -4.78 135.00 120.25 1h4k n PRO 147 Ca 0.24 0.13 -0.29 0.00 -2.02 0.00 0.00 63.50 61.56 1h4k n PRO 147 Cb 0.72 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 32.55 1h4k n PRO 147 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1h4k s THR 148 N -2.66 2.06 -0.19 3.45 2.01 0.29 -0.81 115.64 119.78 1h4k s THR 148 Ca 0.15 -1.42 -0.04 0.00 0.31 0.00 0.00 61.69 60.69 1h4k s THR 148 Cb 0.12 -1.78 -0.02 0.00 0.01 0.00 0.00 72.50 70.83 1h4k s THR 148 CO 0.28 0.27 -0.02 0.00 -0.69 0.00 0.00 174.62 174.46 1h4k s ALA 149 N -0.86 2.97 0.68 7.40 0.00 -0.44 -4.82 121.76 126.69 1h4k s ALA 149 Ca 0.11 -0.98 -0.07 0.00 0.00 0.00 0.00 51.96 51.02 1h4k s ALA 149 Cb -0.10 -1.69 0.04 0.00 0.00 0.00 0.00 23.12 21.38 1h4k s ALA 149 CO 0.03 -0.10 1.00 -1.54 0.00 0.00 0.00 175.76 175.15 1h4k s SER 150 N 0.91 5.06 0.12 0.00 1.04 -1.26 -4.06 113.70 115.52 1h4k s SER 150 Ca 0.00 0.61 -0.19 0.00 0.48 0.00 0.00 55.95 56.85 1h4k s SER 150 Cb -0.14 -1.35 -0.05 0.00 0.10 0.00 0.00 66.02 64.57 1h4k s SER 150 CO 0.02 -1.45 1.75 -0.09 0.98 0.00 0.00 173.24 174.45 1h4k h ARG 151 N -0.52 0.36 -0.63 4.02 2.43 -1.99 -2.09 114.38 115.96 1h4k h ARG 151 Ca -0.45 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 58.70 1h4k h ARG 151 Cb 1.30 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 30.74 1h4k h ARG 151 CO 0.61 0.28 0.41 -0.44 -1.51 0.00 0.00 179.97 179.33 1h4k h ASP 152 N 0.33 0.71 -0.33 -3.80 3.45 -1.99 -0.87 116.42 113.92 1h4k h ASP 152 Ca 0.09 -0.02 0.01 0.00 0.43 0.00 0.00 57.03 57.55 1h4k h ASP 152 Cb 0.02 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 38.59 1h4k h ASP 152 CO -0.02 0.51 0.20 0.22 -1.57 0.00 0.00 179.24 178.59 1h4k h TYR 153 N 0.84 0.38 -0.54 4.55 3.20 -1.90 -1.70 116.97 121.81 1h4k h TYR 153 Ca 0.23 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.01 1h4k h TYR 153 Cb -0.09 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.04 1h4k h TYR 153 CO -0.03 0.23 -0.05 1.25 -1.64 0.00 0.00 178.16 177.92 1h4k h LEU 154 N 0.42 0.98 -1.05 2.82 5.85 -1.19 -2.40 115.31 120.74 1h4k h LEU 154 Ca 0.13 -0.33 0.05 0.00 0.84 0.00 0.00 57.88 58.57 1h4k h LEU 154 Cb -0.02 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.68 1h4k h LEU 154 CO -0.05 1.07 0.64 -0.07 -0.34 0.00 0.00 178.44 179.69 1h4k h LEU 155 N 0.87 1.03 -0.03 2.25 3.38 -0.90 -1.25 115.31 120.66 1h4k h LEU 155 Ca 0.15 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1h4k h LEU 155 Cb 0.60 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1h4k h LEU 155 CO 0.04 0.68 0.00 0.61 0.09 0.00 0.00 178.44 179.86 1h4k n GLY 156 N -1.38 -1.64 0.02 0.83 0.00 -0.66 -3.60 105.19 98.77 1h4k n GLY 156 Ca 0.14 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.23 1h4k n GLY 156 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h4k n ARG 157 N -2.09 0.34 -1.56 1.61 5.12 -0.56 -4.97 116.66 114.54 1h4k n ARG 157 Ca 0.06 -0.07 -0.47 0.00 -1.93 0.00 0.00 57.85 55.43 1h4k n ARG 157 Cb 0.40 -1.55 -0.03 0.00 -1.16 0.00 0.00 32.46 30.12 1h4k n ARG 157 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1h4k n LEU 158 N -1.95 1.26 0.00 0.55 4.77 -0.66 -1.08 117.00 119.89 1h4k n LEU 158 Ca 0.00 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.14 1h4k n LEU 158 Cb 0.45 -1.20 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 1h4k n LEU 158 CO 0.43 -1.55 0.00 0.61 -1.33 0.00 0.00 177.39 175.55 1h4k n GLY 159 N 1.71 2.26 3.71 -0.72 0.00 -1.26 -5.01 105.19 105.89 1h4k n GLY 159 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1h4k n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h4k n ALA 160 N -0.29 1.53 0.04 4.61 0.00 -0.25 -4.91 120.51 121.25 1h4k n ALA 160 Ca 0.00 0.36 -0.05 0.00 0.00 0.00 0.00 53.44 53.75 1h4k n ALA 160 Cb 0.00 -2.29 0.14 0.00 0.00 0.00 0.00 19.45 17.30 1h4k n ALA 160 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h4k h ALA 161 N 2.83 0.92 -0.97 0.00 0.00 -1.95 -3.11 119.26 116.98 1h4k h ALA 161 Ca -0.47 -0.46 -0.55 0.00 0.00 0.00 0.00 54.91 53.43 1h4k h ALA 161 Cb 1.27 -0.10 -0.29 0.00 0.00 0.00 0.00 17.79 18.67 1h4k h ALA 161 CO 0.64 0.65 0.71 -0.40 0.00 0.00 0.00 179.25 180.85 1h4k n ASP 162 N -3.99 4.99 -4.05 0.00 5.75 -1.26 -4.90 116.55 113.09 1h4k n ASP 162 Ca -0.02 -3.62 -0.21 0.00 -0.01 0.00 0.00 54.79 50.93 1h4k n ASP 162 Cb 0.53 -0.88 -0.15 0.00 -1.03 0.00 0.00 41.12 39.59 1h4k n ASP 162 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1h4k s LEU 163 N -3.36 1.91 -0.07 -2.12 2.96 -1.18 -0.39 118.68 116.43 1h4k s LEU 163 Ca 0.58 -0.22 0.01 0.00 -0.22 0.00 0.00 54.13 54.29 1h4k s LEU 163 Cb 0.47 -0.62 0.02 0.00 0.50 0.00 0.00 46.19 46.56 1h4k s LEU 163 CO 0.07 0.11 -0.10 0.00 -1.32 0.00 0.00 176.35 175.11 1h4k s ALA 164 N -0.04 1.18 -0.37 5.97 0.00 -0.51 -4.86 121.76 123.13 1h4k s ALA 164 Ca 0.00 -0.38 -0.10 0.00 0.00 0.00 0.00 51.96 51.48 1h4k s ALA 164 Cb -0.07 -0.62 0.03 0.00 0.00 0.00 0.00 23.12 22.46 1h4k s ALA 164 CO 0.00 -0.03 0.19 0.42 0.00 0.00 0.00 175.76 176.35 1h4k s ILE 165 N 0.94 4.41 -0.61 0.00 1.01 -1.26 -1.83 121.20 123.85 1h4k s ILE 165 Ca -0.10 -0.94 -0.22 0.00 0.00 0.00 0.00 60.65 59.39 1h4k s ILE 165 Cb -0.15 -3.48 0.06 0.00 0.01 0.00 0.00 42.46 38.90 1h4k s ILE 165 CO 0.00 -0.24 0.91 0.86 0.00 0.00 0.00 174.94 176.47 1h4k s TRP 166 N 1.52 2.76 -0.40 3.97 -0.11 0.15 -0.84 118.94 125.99 1h4k s TRP 166 Ca 0.01 -0.44 -0.22 0.00 1.22 0.00 0.00 56.10 56.67 1h4k s TRP 166 Cb -0.19 -4.15 0.01 0.00 -1.50 0.00 0.00 33.47 27.64 1h4k s TRP 166 CO 0.06 -1.50 0.72 0.34 -4.62 0.00 0.00 176.95 171.95 1h4k s ASP 167 N 3.37 6.44 0.00 5.86 3.68 -0.22 -1.88 116.67 133.92 1h4k s ASP 167 Ca 0.23 0.06 0.17 0.00 2.13 0.00 0.00 52.55 55.14 1h4k s ASP 167 Cb -0.16 -2.36 0.51 0.00 -1.45 0.00 0.00 42.92 39.45 1h4k s ASP 167 CO 0.12 -0.74 1.40 0.00 0.13 0.00 0.00 175.17 176.08 1h4k n ALA 168 N 6.36 2.46 -1.50 3.66 0.00 -0.13 -1.73 120.51 129.62 1h4k n ALA 168 Ca 0.01 -0.71 -0.30 0.00 0.00 0.00 0.00 53.44 52.45 1h4k n ALA 168 Cb 0.48 -1.00 0.19 0.00 0.00 0.00 0.00 19.45 19.12 1h4k n ALA 168 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1h4k s ARG 169 N -1.55 0.19 0.67 0.00 0.52 -1.26 -1.95 118.95 115.58 1h4k s ARG 169 Ca 0.31 -0.04 -0.15 0.00 -0.52 0.00 0.00 55.73 55.33 1h4k s ARG 169 Cb 0.17 -1.76 0.01 0.00 0.52 0.00 0.00 34.95 33.88 1h4k s ARG 169 CO 0.23 -2.77 1.11 -1.54 0.02 0.00 0.00 175.30 172.35 1h4k s SER 170 N -4.24 5.00 0.28 0.23 1.04 -1.26 -3.90 113.70 110.84 1h4k s SER 170 Ca 0.69 2.01 -0.00 0.00 0.48 0.00 0.00 55.95 59.13 1h4k s SER 170 Cb -0.10 -2.55 0.50 0.00 0.10 0.00 0.00 66.02 63.98 1h4k s SER 170 CO 0.54 -1.70 1.85 -0.65 0.98 0.00 0.00 173.24 174.25 1h4k h PRO 171 N -0.08 1.00 -0.42 4.02 0.11 -1.97 -1.12 132.00 133.54 1h4k h PRO 171 Ca -0.47 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 1h4k h PRO 171 Cb 1.25 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 32.11 1h4k h PRO 171 CO 0.54 0.66 0.21 -0.56 -0.21 0.00 0.00 178.00 178.64 1h4k h GLN 172 N 1.03 0.58 -0.09 1.05 -0.00 -1.96 0.01 115.11 115.74 1h4k h GLN 172 Ca 0.48 -0.06 -0.13 0.00 -0.00 0.00 0.00 58.65 58.94 1h4k h GLN 172 Cb 0.40 -0.12 0.01 0.00 -0.00 0.00 0.00 27.48 27.76 1h4k h GLN 172 CO -0.24 0.44 -0.45 0.93 -0.00 0.00 0.00 178.83 179.51 1h4k h GLU 173 N 0.58 0.46 -0.79 0.06 5.08 -1.44 0.31 114.58 118.85 1h4k h GLU 173 Ca 0.15 -0.38 0.08 0.00 -1.00 0.00 0.00 59.36 58.21 1h4k h GLU 173 Cb 0.05 0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.31 1h4k h GLU 173 CO -0.02 1.01 0.45 -0.92 -1.00 0.00 0.00 179.01 178.54 1h4k h TYR 174 N 0.03 0.83 -0.00 4.33 3.20 -0.75 -0.87 116.97 123.73 1h4k h TYR 174 Ca -0.03 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1h4k h TYR 174 Cb 1.10 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 39.12 1h4k h TYR 174 CO 0.12 0.37 -0.04 0.54 -1.64 0.00 0.00 178.16 177.51 1h4k n ARG 175 N -4.73 0.65 -1.05 1.82 1.74 -0.06 -3.34 116.66 111.70 1h4k n ARG 175 Ca 0.12 -0.10 -0.02 0.00 -0.77 0.00 0.00 57.85 57.08 1h4k n ARG 175 Cb 0.23 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.16 1h4k n ARG 175 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1h4k n GLY 176 N 1.23 0.51 0.07 -0.13 0.00 -0.33 -4.67 105.19 101.87 1h4k n GLY 176 Ca 0.16 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 45.22 1h4k n GLY 176 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1h4k h GLU 177 N 0.12 0.05 -4.75 1.61 5.08 -0.64 -3.41 114.58 112.63 1h4k h GLU 177 Ca -0.03 -0.08 -0.68 0.00 -1.00 0.00 0.00 59.36 57.57 1h4k h GLU 177 Cb 0.12 0.03 -0.35 0.00 0.50 0.00 0.00 28.75 29.04 1h4k h GLU 177 CO 0.05 0.98 -0.72 0.21 -1.00 0.00 0.00 179.01 178.53 1h4k s LYS 178 N -2.69 2.18 -0.31 2.33 2.20 -0.69 -4.99 119.74 117.78 1h4k s LYS 178 Ca -0.01 -1.45 -0.11 0.00 -0.36 0.00 0.00 55.97 54.04 1h4k s LYS 178 Cb 0.09 -3.14 -0.03 0.00 -1.51 0.00 0.00 37.83 33.24 1h4k s LYS 178 CO 0.83 -0.71 0.20 0.08 -0.36 0.00 0.00 175.35 175.39 1h4k s VAL 179 N 1.14 5.10 -0.79 4.02 1.01 -1.26 -4.32 120.40 125.30 1h4k s VAL 179 Ca -0.02 -0.11 0.10 0.00 0.00 0.00 0.00 61.98 61.94 1h4k s VAL 179 Cb -0.20 -3.53 0.30 0.00 0.00 0.00 0.00 36.38 32.94 1h4k s VAL 179 CO -0.04 0.12 1.25 0.18 0.00 0.00 0.00 175.10 176.61 1h4k n LEU 180 N 5.05 2.92 -4.12 3.92 4.77 -1.26 -5.02 117.00 123.26 1h4k n LEU 180 Ca -0.14 -2.08 -0.15 0.00 -0.03 0.00 0.00 56.01 53.61 1h4k n LEU 180 Cb 0.51 -0.24 -0.05 0.00 -2.33 0.00 0.00 43.42 41.30 1h4k n LEU 180 CO 0.34 0.71 0.07 0.00 -1.33 0.00 0.00 177.39 177.18 1h4k s ALA 181 N -1.15 0.91 0.31 -1.18 0.00 -1.26 -5.02 121.76 114.38 1h4k s ALA 181 Ca 0.23 -1.58 0.04 0.00 0.00 0.00 0.00 51.96 50.65 1h4k s ALA 181 Cb 0.13 1.22 0.63 0.00 0.00 0.00 0.00 23.12 25.11 1h4k s ALA 181 CO 0.14 -0.76 1.87 0.00 0.00 0.00 0.00 175.76 177.01 1h4k h ALA 182 N 2.17 1.62 -3.98 0.00 0.00 -1.90 -3.40 119.26 113.76 1h4k h ALA 182 Ca -0.28 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 53.95 1h4k h ALA 182 Cb 1.24 -0.20 -0.26 0.00 0.00 0.00 0.00 17.79 18.57 1h4k h ALA 182 CO 0.39 0.17 -0.81 0.15 0.00 0.00 0.00 179.25 179.16 1h4k s LYS 183 N -5.85 2.62 0.21 0.00 1.02 0.11 -5.04 119.74 112.82 1h4k s LYS 183 Ca -0.11 -0.76 0.05 0.00 0.02 0.00 0.00 55.97 55.17 1h4k s LYS 183 Cb 0.21 -2.34 -0.03 0.00 -0.52 0.00 0.00 37.83 35.15 1h4k s LYS 183 CO 0.80 0.50 0.26 0.20 -0.92 0.00 0.00 175.35 176.19 1h4k s GLY 184 N -0.41 1.44 0.00 -3.33 0.00 -1.26 -4.71 107.32 99.04 1h4k s GLY 184 Ca 0.04 -1.25 0.00 0.00 0.00 0.00 0.00 44.72 43.52 1h4k s GLY 184 CO 0.02 -1.27 0.00 0.61 0.00 0.00 0.00 173.10 172.46 1h4k n GLY 185 N -1.02 0.30 3.24 0.20 0.00 -1.25 -4.70 105.19 101.96 1h4k n GLY 185 Ca -0.08 -2.12 -0.15 0.00 0.00 0.00 0.00 46.02 43.67 1h4k n GLY 185 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1h4k s HIS 186 N 0.00 1.35 0.25 1.61 -3.43 0.69 -4.52 115.29 111.24 1h4k s HIS 186 Ca 0.00 -1.41 -0.30 0.00 -0.80 0.00 0.00 55.06 52.55 1h4k s HIS 186 Cb 0.00 -0.66 -0.10 0.00 -1.43 0.00 0.00 32.58 30.40 1h4k s HIS 186 CO 0.00 -0.64 1.33 0.42 -2.00 0.00 0.00 174.74 173.85 1h4k s ILE 187 N -3.93 2.97 -0.07 -5.38 1.01 -1.26 -0.08 121.20 114.46 1h4k s ILE 187 Ca 0.39 0.85 -0.38 0.00 0.00 0.00 0.00 60.65 61.51 1h4k s ILE 187 Cb 0.06 -3.54 -0.16 0.00 0.01 0.00 0.00 42.46 38.83 1h4k s ILE 187 CO 0.16 0.15 1.57 -2.65 0.00 0.00 0.00 174.94 174.17 1h4k n PRO 188 N 2.00 1.32 -0.35 2.79 -0.02 -1.26 -1.09 135.00 138.39 1h4k n PRO 188 Ca 0.04 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1h4k n PRO 188 Cb 0.42 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 1h4k n PRO 188 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h4k n GLY 189 N 3.44 1.74 3.78 -1.23 0.00 -1.26 -4.61 105.19 107.06 1h4k n GLY 189 Ca 0.22 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.90 1h4k n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h4k s ALA 190 N -3.15 2.62 0.22 4.61 0.00 -0.25 -4.65 121.76 121.17 1h4k s ALA 190 Ca 0.00 0.65 0.09 0.00 0.00 0.00 0.00 51.96 52.71 1h4k s ALA 190 Cb 0.00 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.75 1h4k s ALA 190 CO 0.00 -0.95 -0.07 0.14 0.00 0.00 0.00 175.76 174.88 1h4k s VAL 191 N -2.08 3.22 -0.12 0.00 -7.23 -0.02 -4.96 120.40 109.21 1h4k s VAL 191 Ca 0.69 -1.81 0.00 0.00 -1.81 0.00 0.00 61.98 59.05 1h4k s VAL 191 Cb -0.21 -2.65 -0.02 0.00 0.56 0.00 0.00 36.38 34.06 1h4k s VAL 191 CO 0.33 -0.23 -0.13 0.21 -0.31 0.00 0.00 175.10 174.97 1h4k s ASN 192 N -3.19 4.00 -0.37 4.85 2.47 -1.26 -1.05 114.94 120.39 1h4k s ASN 192 Ca 0.28 -0.32 0.03 0.00 0.42 0.00 0.00 52.86 53.27 1h4k s ASN 192 Cb -0.08 -1.53 0.16 0.00 -1.45 0.00 0.00 41.25 38.35 1h4k s ASN 192 CO 0.17 0.18 0.39 0.12 -3.72 0.00 0.00 177.10 174.24 1h4k s PHE 193 N 0.24 -0.40 0.20 0.43 5.36 -0.71 -4.97 117.98 118.13 1h4k s PHE 193 Ca -0.09 -0.72 -0.32 0.00 -0.96 0.00 0.00 56.93 54.84 1h4k s PHE 193 Cb -0.15 -0.36 -0.15 0.00 -0.34 0.00 0.00 43.02 42.01 1h4k s PHE 193 CO 0.05 -0.98 1.13 -1.91 -1.46 0.00 0.00 175.22 172.05 1h4k n GLU 194 N 4.31 1.20 -0.23 10.12 2.13 -1.25 -4.35 120.64 132.57 1h4k n GLU 194 Ca 0.10 0.43 0.13 0.00 0.66 0.00 0.00 57.16 58.48 1h4k n GLU 194 Cb 0.46 -1.90 0.42 0.00 0.27 0.00 0.00 31.44 30.70 1h4k n GLU 194 CO 0.00 0.00 0.00 0.11 -0.41 0.00 0.00 177.13 176.83 1h4k h TRP 195 N 3.10 0.69 -0.00 4.31 5.08 -1.65 0.11 115.95 127.58 1h4k h TRP 195 Ca -0.42 0.02 -0.05 0.00 1.08 0.00 0.00 58.89 59.52 1h4k h TRP 195 Cb 1.34 -0.22 -0.01 0.00 -3.00 0.00 0.00 29.16 27.28 1h4k h TRP 195 CO 0.53 0.26 -0.23 1.79 -1.28 0.00 0.00 178.44 179.51 1h4k h THR 196 N 0.59 1.16 0.00 0.12 1.35 -1.89 -2.04 112.91 112.21 1h4k h THR 196 Ca 0.41 -0.77 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 1h4k h THR 196 Cb 0.75 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 1h4k h THR 196 CO -0.17 0.22 0.00 0.00 -0.25 0.00 0.00 175.52 175.32 1h4k n ALA 197 N -2.50 1.76 0.81 6.62 0.00 0.02 -2.46 120.51 124.77 1h4k n ALA 197 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.54 1h4k n ALA 197 Cb 0.28 -1.33 0.27 0.00 0.00 0.00 0.00 19.45 18.67 1h4k n ALA 197 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1h4k n ALA 198 N -1.63 3.10 -2.77 0.00 0.00 -0.77 -4.90 120.51 113.54 1h4k n ALA 198 Ca 0.03 -0.27 -0.25 0.00 0.00 0.00 0.00 53.44 52.96 1h4k n ALA 198 Cb 0.22 -1.20 -0.02 0.00 0.00 0.00 0.00 19.45 18.45 1h4k n ALA 198 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 1h4k s MET 199 N -3.07 3.49 -0.38 0.00 -1.94 -1.03 -1.06 119.30 115.31 1h4k s MET 199 Ca 0.09 -0.43 0.04 0.00 -1.71 0.00 0.00 55.69 53.69 1h4k s MET 199 Cb 0.16 -2.79 0.11 0.00 2.01 0.00 0.00 34.83 34.32 1h4k s MET 199 CO 0.68 0.32 0.10 0.34 -0.01 0.00 0.00 175.02 176.46 1h4k s ASP 200 N -3.63 4.67 0.66 3.03 -1.08 -0.14 -4.67 116.67 115.50 1h4k s ASP 200 Ca 0.38 -2.36 0.42 0.00 -0.52 0.00 0.00 52.55 50.46 1h4k s ASP 200 Cb -0.10 -1.63 2.30 0.00 -1.46 0.00 0.00 42.92 42.02 1h4k s ASP 200 CO 0.31 -0.35 2.32 1.55 0.52 0.00 0.00 175.17 179.53 1h4k h PRO 201 N 7.35 0.00 -0.00 4.34 0.13 -1.93 0.14 132.00 142.03 1h4k h PRO 201 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1h4k h PRO 201 Cb 0.99 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.12 1h4k h PRO 201 CO 0.56 0.00 -0.02 -1.13 -0.23 0.00 0.00 178.00 177.19 1h4k n SER 202 N -3.15 0.02 -2.39 1.44 3.41 -1.26 -3.58 113.62 108.11 1h4k n SER 202 Ca -0.03 0.32 -0.20 0.00 -0.26 0.00 0.00 58.87 58.70 1h4k n SER 202 Cb 0.11 -0.43 0.02 0.00 -0.26 0.00 0.00 64.21 63.65 1h4k n SER 202 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1h4k n ARG 203 N -1.45 2.97 -3.97 4.33 1.74 0.42 -4.95 116.66 115.76 1h4k n ARG 203 Ca 0.09 -4.10 -0.31 0.00 -0.77 0.00 0.00 57.85 52.76 1h4k n ARG 203 Cb 0.32 -2.04 0.02 0.00 -1.02 0.00 0.00 32.46 29.73 1h4k n ARG 203 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1h4k n ALA 204 N -0.52 -1.30 -2.38 7.54 0.00 -1.23 -1.85 120.51 120.78 1h4k n ALA 204 Ca 0.33 0.15 -0.18 0.00 0.00 0.00 0.00 53.44 53.74 1h4k n ALA 204 Cb 0.81 -4.24 -0.01 0.00 0.00 0.00 0.00 19.45 16.01 1h4k n ALA 204 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1h4k n LEU 205 N -4.63 -1.87 -4.81 0.00 4.77 -0.78 -3.39 117.00 106.29 1h4k n LEU 205 Ca 0.04 -0.04 -0.30 0.00 -0.03 0.00 0.00 56.01 55.69 1h4k n LEU 205 Cb 0.52 -2.58 0.09 0.00 -2.33 0.00 0.00 43.42 39.13 1h4k n LEU 205 CO 0.77 -0.15 0.72 -0.13 -1.33 0.00 0.00 177.39 177.27 1h4k s ARG 206 N -4.94 2.07 0.17 3.23 0.52 -0.77 -3.99 118.95 115.24 1h4k s ARG 206 Ca 0.02 0.58 -0.31 0.00 -0.52 0.00 0.00 55.73 55.50 1h4k s ARG 206 Cb -0.01 -1.92 -0.09 0.00 0.52 0.00 0.00 34.95 33.45 1h4k s ARG 206 CO 0.03 -1.62 1.39 0.42 0.02 0.00 0.00 175.30 175.54 1h4k s ILE 207 N -3.20 3.11 0.25 1.52 1.01 -1.26 -0.97 121.20 121.66 1h4k s ILE 207 Ca 0.61 0.85 -0.31 0.00 0.00 0.00 0.00 60.65 61.80 1h4k s ILE 207 Cb -0.14 -3.55 -0.13 0.00 0.01 0.00 0.00 42.46 38.66 1h4k s ILE 207 CO 0.54 0.10 1.52 -2.11 0.00 0.00 0.00 174.94 174.98 1h4k n ARG 208 N 3.27 2.34 0.30 2.79 1.85 -0.22 -4.80 116.66 122.19 1h4k n ARG 208 Ca 0.09 0.84 0.18 0.00 -1.00 0.00 0.00 57.85 57.96 1h4k n ARG 208 Cb 0.42 -2.56 0.92 0.00 -1.05 0.00 0.00 32.46 30.18 1h4k n ARG 208 CO 0.00 0.00 0.00 1.79 -0.01 0.00 0.00 177.63 179.41 1h4k h THR 209 N 3.28 0.22 -0.58 8.89 1.35 -1.91 -2.04 112.91 122.11 1h4k h THR 209 Ca -0.46 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.11 1h4k h THR 209 Cb 1.25 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 1h4k h THR 209 CO 0.80 0.04 0.00 -0.90 -0.25 0.00 0.00 175.52 175.21 1h4k n ASP 210 N -3.32 4.57 -0.30 5.36 3.85 -1.26 -4.64 116.55 120.80 1h4k n ASP 210 Ca -0.02 -2.49 0.10 0.00 -0.71 0.00 0.00 54.79 51.68 1h4k n ASP 210 Cb 0.18 -0.58 0.27 0.00 -1.35 0.00 0.00 41.12 39.64 1h4k n ASP 210 CO 0.00 0.00 0.00 -0.29 -1.01 0.00 0.00 177.20 175.90 1h4k h ILE 211 N 3.73 0.62 0.01 2.12 6.09 -1.74 -2.77 117.51 125.57 1h4k h ILE 211 Ca 0.00 -0.18 0.03 0.00 -1.37 0.00 0.00 64.86 63.33 1h4k h ILE 211 Cb 1.44 0.03 -0.04 0.00 0.47 0.00 0.00 36.82 38.73 1h4k h ILE 211 CO 0.26 0.10 -0.22 0.00 -3.07 0.00 0.00 178.15 175.22 1h4k h ALA 212 N 1.63 -0.30 -0.68 0.18 0.00 -1.86 -1.57 119.26 116.67 1h4k h ALA 212 Ca 0.51 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.45 1h4k h ALA 212 Cb 0.85 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.99 1h4k h ALA 212 CO -0.44 -0.72 0.45 0.78 0.00 0.00 0.00 179.25 179.32 1h4k h GLY 213 N -0.36 0.93 1.06 0.00 0.00 -1.87 -0.90 103.07 101.93 1h4k h GLY 213 Ca 0.06 -0.32 -0.10 0.00 0.00 0.00 0.00 47.33 46.97 1h4k h GLY 213 CO -0.19 0.29 -0.04 3.21 0.00 0.00 0.00 176.54 179.80 1h4k h ARG 214 N 0.82 1.00 -0.41 4.80 2.47 -1.28 -1.66 114.38 120.12 1h4k h ARG 214 Ca 0.27 -0.34 -0.15 0.00 -1.26 0.00 0.00 59.98 58.49 1h4k h ARG 214 Cb 0.05 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.28 1h4k h ARG 214 CO -0.07 1.02 -0.35 -0.07 0.56 0.00 0.00 179.97 181.06 1h4k h LEU 215 N 0.88 1.01 -1.34 3.04 3.38 -0.87 -3.05 115.31 118.35 1h4k h LEU 215 Ca 0.15 -0.44 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 1h4k h LEU 215 Cb 0.60 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1h4k h LEU 215 CO 0.04 1.24 0.36 -0.33 0.09 0.00 0.00 178.44 179.84 1h4k h GLU 216 N 0.79 0.80 0.00 1.13 5.08 -0.96 -0.91 114.58 120.51 1h4k h GLU 216 Ca 0.07 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1h4k h GLU 216 Cb 0.94 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.02 1h4k h GLU 216 CO 0.09 0.57 -0.02 0.93 -1.00 0.00 0.00 179.01 179.57 1h4k h GLU 217 N 0.82 0.00 -0.56 2.33 5.08 -1.19 -1.58 114.58 119.49 1h4k h GLU 217 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1h4k h GLU 217 Cb -0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.22 1h4k h GLU 217 CO -0.04 0.02 0.00 1.28 -1.00 0.00 0.00 179.01 179.27 1h4k n LEU 218 N -3.34 3.57 0.00 1.33 4.77 -0.44 -4.94 117.00 117.95 1h4k n LEU 218 Ca -0.02 -1.86 0.00 0.00 -0.03 0.00 0.00 56.01 54.09 1h4k n LEU 218 Cb 0.13 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1h4k n LEU 218 CO 0.24 0.86 0.00 0.61 -1.33 0.00 0.00 177.39 177.78 1h4k n GLY 219 N 1.34 0.64 3.51 -0.72 0.00 -0.59 -4.93 105.19 104.44 1h4k n GLY 219 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 1h4k n GLY 219 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1h4k s ILE 220 N -2.56 4.56 0.14 -0.61 1.01 -0.62 -4.85 121.20 118.27 1h4k s ILE 220 Ca 0.00 -2.02 0.09 0.00 0.00 0.00 0.00 60.65 58.73 1h4k s ILE 220 Cb 0.00 -5.00 -0.04 0.00 0.01 0.00 0.00 42.46 37.43 1h4k s ILE 220 CO 0.00 -1.77 -0.17 0.42 0.00 0.00 0.00 174.94 173.41 1h4k s THR 221 N 3.00 2.84 0.63 2.92 -4.23 -1.26 -3.89 115.64 115.65 1h4k s THR 221 Ca 0.45 -1.60 0.34 0.00 -1.18 0.00 0.00 61.69 59.70 1h4k s THR 221 Cb -0.01 -2.33 0.37 0.00 1.34 0.00 0.00 72.50 71.88 1h4k s THR 221 CO -0.00 0.04 2.13 1.55 -0.54 0.00 0.00 174.62 177.80 1h4k h PRO 222 N 3.53 0.00 0.00 3.99 0.13 -1.96 -0.63 132.00 137.06 1h4k h PRO 222 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1h4k h PRO 222 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1h4k h PRO 222 CO 0.47 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.84 1h4k n ASP 223 N -3.35 0.00 -4.47 1.44 5.68 -1.26 -4.32 116.55 110.27 1h4k n ASP 223 Ca -0.01 -0.59 -0.28 0.00 -0.50 0.00 0.00 54.79 53.42 1h4k n ASP 223 Cb 0.27 -0.12 -0.11 0.00 -1.14 0.00 0.00 41.12 40.02 1h4k n ASP 223 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 1h4k s LYS 224 N -2.23 1.71 0.09 0.11 1.02 -0.24 -4.95 119.74 115.24 1h4k s LYS 224 Ca 0.37 -1.36 -0.30 0.00 0.02 0.00 0.00 55.97 54.69 1h4k s LYS 224 Cb 0.20 -1.99 -0.06 0.00 -0.52 0.00 0.00 37.83 35.45 1h4k s LYS 224 CO 0.37 0.43 1.19 -2.00 -0.92 0.00 0.00 175.35 174.42 1h4k s GLU 225 N -2.54 4.46 -0.24 1.68 2.12 0.48 -4.62 118.70 120.03 1h4k s GLU 225 Ca 0.21 1.77 -0.06 0.00 0.36 0.00 0.00 54.97 57.25 1h4k s GLU 225 Cb -0.09 -3.33 -0.02 0.00 0.26 0.00 0.00 34.13 30.95 1h4k s GLU 225 CO 0.11 -0.20 0.04 0.42 -0.54 0.00 0.00 175.26 175.08 1h4k s ILE 226 N 0.80 4.04 -0.20 -3.70 -1.09 0.49 -1.43 121.20 120.12 1h4k s ILE 226 Ca 0.57 -0.27 -0.02 0.00 -2.23 0.00 0.00 60.65 58.70 1h4k s ILE 226 Cb -0.30 -2.87 -0.00 0.00 -1.58 0.00 0.00 42.46 37.71 1h4k s ILE 226 CO 0.31 0.37 -0.09 -0.69 -1.23 0.00 0.00 174.94 173.60 1h4k s VAL 227 N 1.55 3.05 0.17 2.92 1.01 -0.76 -0.27 120.40 128.07 1h4k s VAL 227 Ca 0.06 -0.61 0.11 0.00 0.00 0.00 0.00 61.98 61.53 1h4k s VAL 227 Cb -0.15 -2.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.84 1h4k s VAL 227 CO 0.02 0.47 -0.21 0.28 0.00 0.00 0.00 175.10 175.65 1h4k s THR 228 N 1.23 2.53 0.21 3.92 -1.32 -0.58 -0.68 115.64 120.96 1h4k s THR 228 Ca 0.03 -1.87 -0.23 0.00 -1.21 0.00 0.00 61.69 58.40 1h4k s THR 228 Cb -0.14 -2.20 0.04 0.00 -1.51 0.00 0.00 72.50 68.69 1h4k s THR 228 CO -0.04 -0.06 0.85 -1.38 -2.21 0.00 0.00 174.62 171.78 1h4k s HIS 229 N -1.52 -0.16 0.00 9.09 -3.43 -0.79 -1.12 115.29 117.36 1h4k s HIS 229 Ca 0.20 -0.21 0.00 0.00 -0.80 0.00 0.00 55.06 54.25 1h4k s HIS 229 Cb -0.09 0.67 0.00 0.00 -1.43 0.00 0.00 32.58 31.73 1h4k s HIS 229 CO 0.10 -1.01 0.00 0.00 -2.00 0.00 0.00 174.74 171.83 1h4k h GLN 231 N 0.00 0.36 0.00 0.00 5.75 -1.95 -0.94 115.11 118.33 1h4k h GLN 231 Ca 0.00 -0.61 -0.12 0.00 -0.15 0.00 0.00 58.65 57.77 1h4k h GLN 231 Cb 0.00 0.23 -0.25 0.00 1.07 0.00 0.00 27.48 28.53 1h4k h GLN 231 CO 0.00 1.29 -0.83 0.25 -2.65 0.00 0.00 178.83 176.90 1h4k n THR 232 N -3.70 0.41 -2.86 2.39 -2.24 -1.26 -0.43 114.28 106.58 1h4k n THR 232 Ca -0.25 -1.22 -0.22 0.00 -2.27 0.00 0.00 64.05 60.10 1h4k n THR 232 Cb 1.02 0.68 0.02 0.00 -2.10 0.00 0.00 70.33 69.95 1h4k n THR 232 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1h4k n HIS 233 N 0.09 -1.71 -0.07 4.78 -0.00 -1.26 -4.40 115.22 112.65 1h4k n HIS 233 Ca 0.07 0.38 -0.07 0.00 0.46 0.00 0.00 57.72 58.56 1h4k n HIS 233 Cb 0.98 -4.29 -0.02 0.00 -0.12 0.00 0.00 29.99 26.54 1h4k n HIS 233 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 1h4k n HIS 234 N -4.35 0.04 -0.08 1.57 -0.00 -1.26 -4.18 115.22 106.97 1h4k n HIS 234 Ca -0.15 0.02 0.02 0.00 -0.00 0.00 0.00 57.72 57.61 1h4k n HIS 234 Cb 0.64 -0.41 0.33 0.00 -0.00 0.00 0.00 29.99 30.55 1h4k n HIS 234 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1h4k h ARG 235 N -0.80 0.70 0.00 1.57 3.08 -1.91 0.39 114.38 117.41 1h4k h ARG 235 Ca 0.00 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.99 1h4k h ARG 235 Cb 0.77 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1h4k h ARG 235 CO 0.00 0.51 0.00 -1.13 -1.07 0.00 0.00 179.97 178.28 1h4k n SER 236 N -4.42 0.00 -0.10 7.04 3.41 -1.26 -2.07 113.62 116.22 1h4k n SER 236 Ca 0.04 -0.47 -0.14 0.00 -0.26 0.00 0.00 58.87 58.04 1h4k n SER 236 Cb 0.09 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 63.97 1h4k n SER 236 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1h4k h GLY 237 N 2.73 0.95 0.84 5.00 0.00 -1.07 -1.62 103.07 109.90 1h4k h GLY 237 Ca 0.00 -1.01 -0.05 0.00 0.00 0.00 0.00 47.33 46.28 1h4k h GLY 237 CO 0.00 0.91 -0.03 -2.00 0.00 0.00 0.00 176.54 175.42 1h4k h LEU 238 N 0.67 0.44 -0.98 3.11 5.85 -1.50 -1.78 115.31 121.12 1h4k h LEU 238 Ca 0.05 -0.34 -0.05 0.00 0.84 0.00 0.00 57.88 58.38 1h4k h LEU 238 Cb 0.99 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.88 1h4k h LEU 238 CO 0.10 0.68 0.15 0.71 -0.34 0.00 0.00 178.44 179.73 1h4k h THR 239 N 0.20 1.23 -0.16 1.05 1.35 -1.62 0.14 112.91 115.10 1h4k h THR 239 Ca 0.06 -0.83 -0.00 0.00 -0.55 0.00 0.00 66.41 65.09 1h4k h THR 239 Cb 0.47 0.63 -0.01 0.00 -1.73 0.00 0.00 68.15 67.51 1h4k h THR 239 CO 0.02 0.31 0.10 0.22 -0.25 0.00 0.00 175.52 175.92 1h4k h TYR 240 N 0.86 0.21 -0.49 4.73 3.20 -1.20 -1.61 116.97 122.67 1h4k h TYR 240 Ca 0.19 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.08 1h4k h TYR 240 Cb 0.30 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.47 1h4k h TYR 240 CO 0.02 0.17 0.29 1.25 -1.64 0.00 0.00 178.16 178.25 1h4k h LEU 241 N 0.18 0.46 -0.34 2.82 6.46 -0.69 -2.34 115.31 121.87 1h4k h LEU 241 Ca 0.06 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.84 1h4k h LEU 241 Cb 0.02 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 39.84 1h4k h LEU 241 CO -0.01 0.33 0.19 0.40 -0.62 0.00 0.00 178.44 178.72 1h4k h ILE 242 N 0.58 1.02 -0.37 4.05 2.04 -0.40 0.11 117.51 124.53 1h4k h ILE 242 Ca 0.20 -0.13 0.02 0.00 1.00 0.00 0.00 64.86 65.95 1h4k h ILE 242 Cb 0.03 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 1h4k h ILE 242 CO -0.09 0.07 0.19 0.00 0.00 0.00 0.00 178.15 178.32 1h4k h ALA 243 N 1.16 0.46 -0.64 1.87 0.00 -1.06 -0.96 119.26 120.09 1h4k h ALA 243 Ca 0.14 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1h4k h ALA 243 Cb 0.02 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1h4k h ALA 243 CO -0.07 -0.17 0.32 0.87 0.00 0.00 0.00 179.25 180.19 1h4k h LYS 244 N 0.39 0.90 -0.72 0.00 1.57 -1.07 -1.70 116.57 115.94 1h4k h LYS 244 Ca 0.15 -0.12 0.04 0.00 -1.87 0.00 0.00 60.65 58.85 1h4k h LYS 244 Cb 0.05 -0.17 -0.04 0.00 0.08 0.00 0.00 32.23 32.15 1h4k h LYS 244 CO -0.10 0.71 0.47 0.00 -0.57 0.00 0.00 179.45 179.96 1h4k h ALA 245 N 1.15 1.60 -0.00 3.86 0.00 -0.16 -0.93 119.26 124.78 1h4k h ALA 245 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1h4k h ALA 245 Cb 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1h4k h ALA 245 CO -0.03 0.32 0.00 1.28 0.00 0.00 0.00 179.25 180.82 1h4k n LEU 246 N -4.46 0.10 0.00 0.00 4.77 -0.42 -4.87 117.00 112.11 1h4k n LEU 246 Ca 0.09 -0.03 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1h4k n LEU 246 Cb 0.14 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 1h4k n LEU 246 CO 0.35 0.02 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 1h4k n GLY 247 N 0.96 0.51 3.68 -0.72 0.00 -0.35 -5.00 105.19 104.27 1h4k n GLY 247 Ca 0.21 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 45.13 1h4k n GLY 247 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1h4k s TYR 248 N -2.00 2.09 0.32 1.61 1.51 -0.67 -4.89 117.35 115.33 1h4k s TYR 248 Ca 0.00 0.10 0.11 0.00 -1.01 0.00 0.00 57.07 56.27 1h4k s TYR 248 Cb 0.00 -4.04 0.53 0.00 -0.11 0.00 0.00 41.96 38.34 1h4k s TYR 248 CO 0.00 -4.33 1.72 -1.00 -1.11 0.00 0.00 175.55 170.82 1h4k h PRO 249 N 8.99 0.03 -4.62 -1.71 0.13 -1.89 -3.42 132.00 129.50 1h4k h PRO 249 Ca -0.44 -0.01 -0.65 0.00 -0.87 0.00 0.00 66.00 64.03 1h4k h PRO 249 Cb 1.21 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.95 1h4k h PRO 249 CO 0.94 0.51 -0.75 1.03 -0.23 0.00 0.00 178.00 179.50 1h4k s ARG 250 N -3.92 1.64 -0.03 0.86 0.52 -1.26 -5.09 118.95 111.67 1h4k s ARG 250 Ca -0.02 -1.60 0.02 0.00 -0.52 0.00 0.00 55.73 53.61 1h4k s ARG 250 Cb 0.13 -2.98 0.01 0.00 0.52 0.00 0.00 34.95 32.64 1h4k s ARG 250 CO 0.75 -0.81 -0.07 0.08 0.02 0.00 0.00 175.30 175.27 1h4k s VAL 251 N 1.05 0.64 0.02 3.52 1.01 -1.26 -0.38 120.40 125.01 1h4k s VAL 251 Ca 0.04 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.79 1h4k s VAL 251 Cb -0.19 -0.61 -0.01 0.00 0.00 0.00 0.00 36.38 35.57 1h4k s VAL 251 CO -0.08 0.22 -0.05 -0.54 0.00 0.00 0.00 175.10 174.65 1h4k s LYS 252 N 0.47 0.38 -0.25 2.72 1.02 0.62 -4.72 119.74 119.99 1h4k s LYS 252 Ca -0.07 -0.45 -0.09 0.00 0.02 0.00 0.00 55.97 55.38 1h4k s LYS 252 Cb -0.11 -0.21 -0.04 0.00 -0.52 0.00 0.00 37.83 36.95 1h4k s LYS 252 CO 0.00 0.04 0.13 0.20 -0.92 0.00 0.00 175.35 174.81 1h4k s GLY 253 N -0.90 1.89 -1.12 -3.33 0.00 0.01 -1.52 107.32 102.34 1h4k s GLY 253 Ca -0.06 -1.02 -0.18 0.00 0.00 0.00 0.00 44.72 43.46 1h4k s GLY 253 CO -0.00 0.48 1.44 -0.47 0.00 0.00 0.00 173.10 174.55 1h4k s TYR 254 N 1.39 3.02 0.34 1.90 5.04 -0.27 -1.33 117.35 127.44 1h4k s TYR 254 Ca 0.06 -1.56 0.08 0.00 -2.44 0.00 0.00 57.07 53.22 1h4k s TYR 254 Cb -0.15 -4.50 0.79 0.00 0.35 0.00 0.00 41.96 38.45 1h4k s TYR 254 CO 0.06 -1.64 1.84 0.00 -1.34 0.00 0.00 175.55 174.48 1h4k h ALA 255 N 8.22 1.79 -0.70 3.97 0.00 -1.85 -0.94 119.26 129.75 1h4k h ALA 255 Ca 0.29 0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.31 1h4k h ALA 255 Cb 0.94 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.54 1h4k h ALA 255 CO 1.30 -0.06 0.36 0.78 0.00 0.00 0.00 179.25 181.63 1h4k h GLY 256 N 0.73 1.04 0.00 0.00 0.00 -1.84 -3.34 103.07 99.66 1h4k h GLY 256 Ca 0.49 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1h4k h GLY 256 CO -0.25 0.09 0.00 1.44 0.00 0.00 0.00 176.54 177.83 1h4k n SER 257 N -4.83 -4.61 0.26 0.19 7.64 -0.36 -2.75 113.62 109.16 1h4k n SER 257 Ca 0.10 0.00 0.10 0.00 1.01 0.00 0.00 58.87 60.08 1h4k n SER 257 Cb 0.24 0.00 0.69 0.00 -1.01 0.00 0.00 64.21 64.13 1h4k n SER 257 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 1h4k h TRP 258 N 0.00 0.00 -0.64 1.43 2.91 -1.12 -0.19 115.95 118.34 1h4k h TRP 258 Ca 0.00 0.00 0.15 0.00 1.13 0.00 0.00 58.89 60.17 1h4k h TRP 258 Cb 0.00 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 28.61 1h4k h TRP 258 CO 0.00 0.04 0.44 0.78 -1.03 0.00 0.00 178.44 178.68 1h4k h GLY 259 N 0.16 0.35 0.00 2.65 0.00 -0.84 0.16 103.07 105.56 1h4k h GLY 259 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1h4k h GLY 259 CO 0.01 0.03 -0.60 -2.21 0.00 0.00 0.00 176.54 173.77 1h4k n GLU 260 N -4.43 0.46 -0.17 4.80 2.13 -0.24 -4.21 120.64 118.98 1h4k n GLU 260 Ca 0.12 0.46 -0.02 0.00 0.66 0.00 0.00 57.16 58.38 1h4k n GLU 260 Cb 0.57 -1.62 0.05 0.00 0.27 0.00 0.00 31.44 30.71 1h4k n GLU 260 CO 0.00 0.00 0.00 2.35 -0.41 0.00 0.00 177.13 179.07 1h4k h TRP 261 N -0.98 -0.18 0.00 4.31 2.91 -0.98 0.21 115.95 121.24 1h4k h TRP 261 Ca 0.00 0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.06 1h4k h TRP 261 Cb 0.60 0.16 0.00 0.00 -0.51 0.00 0.00 29.16 29.41 1h4k h TRP 261 CO -0.26 -0.19 0.00 0.41 -1.03 0.00 0.00 178.44 177.37 1h4k n GLY 262 N -1.36 -1.02 0.00 2.65 0.00 0.56 -3.05 105.19 102.98 1h4k n GLY 262 Ca 0.06 0.02 0.03 0.00 0.00 0.00 0.00 46.02 46.13 1h4k n GLY 262 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1h4k n ASN 263 N -1.80 1.07 -4.75 1.61 3.02 0.05 -0.71 115.26 113.74 1h4k n ASN 263 Ca 0.02 -0.49 -0.40 0.00 -0.03 0.00 0.00 54.58 53.68 1h4k n ASN 263 Cb 0.16 1.07 -0.06 0.00 -0.61 0.00 0.00 39.78 40.34 1h4k n ASN 263 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 1h4k s HIS 264 N -1.81 3.91 0.36 3.10 2.46 0.53 -4.95 115.29 118.89 1h4k s HIS 264 Ca 0.01 1.88 0.03 0.00 0.47 0.00 0.00 55.06 57.46 1h4k s HIS 264 Cb 0.05 -3.02 0.67 0.00 -0.13 0.00 0.00 32.58 30.15 1h4k s HIS 264 CO 0.26 0.29 1.99 -1.35 -2.47 0.00 0.00 174.74 173.47 1h4k h PRO 265 N 4.04 0.72 0.00 2.88 0.11 -1.91 -3.14 132.00 134.69 1h4k h PRO 265 Ca -0.45 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1h4k h PRO 265 Cb 1.20 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1h4k h PRO 265 CO 0.68 0.52 -0.17 -0.44 -0.21 0.00 0.00 178.00 178.38 1h4k h ASP 266 N 0.73 0.00 -3.20 -2.05 3.45 -1.95 -3.47 116.42 109.94 1h4k h ASP 266 Ca 0.19 -0.02 -0.58 0.00 0.43 0.00 0.00 57.03 57.05 1h4k h ASP 266 Cb -0.01 0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 38.70 1h4k h ASP 266 CO -0.03 0.01 0.61 0.42 -1.57 0.00 0.00 179.24 178.68 1h4k s THR 267 N -3.19 4.77 0.28 0.35 -4.23 -1.19 -5.04 115.64 107.39 1h4k s THR 267 Ca 0.07 1.86 -0.28 0.00 -1.18 0.00 0.00 61.69 62.16 1h4k s THR 267 Cb 0.08 -4.24 -0.09 0.00 1.34 0.00 0.00 72.50 69.59 1h4k s THR 267 CO 0.67 -0.08 0.97 -2.16 -0.54 0.00 0.00 174.62 173.47 1h4k s PRO 268 N 2.71 4.70 0.21 3.99 0.04 -1.26 -4.96 135.00 140.43 1h4k s PRO 268 Ca 0.42 1.47 0.11 0.00 0.04 0.00 0.00 61.00 63.04 1h4k s PRO 268 Cb -0.16 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.28 1h4k s PRO 268 CO 0.10 0.36 -0.21 0.14 0.04 0.00 0.00 177.00 177.43 1h4k s VAL 269 N -1.36 2.52 -0.02 -0.36 -7.23 -1.26 -4.31 120.40 108.37 1h4k s VAL 269 Ca 0.46 -2.05 0.02 0.00 -1.81 0.00 0.00 61.98 58.60 1h4k s VAL 269 Cb -0.24 -2.24 0.01 0.00 0.56 0.00 0.00 36.38 34.47 1h4k s VAL 269 CO 0.30 -0.17 -0.07 -0.70 -0.31 0.00 0.00 175.10 174.15 1h4k s GLU 270 N -2.87 0.77 0.00 4.82 2.12 0.89 -4.86 118.70 119.58 1h4k s GLU 270 Ca 0.23 -0.22 0.27 0.00 0.36 0.00 0.00 54.97 55.62 1h4k s GLU 270 Cb -0.07 -0.74 0.86 0.00 0.26 0.00 0.00 34.13 34.44 1h4k s GLU 270 CO 0.12 0.06 1.64 1.28 -0.54 0.00 0.00 175.26 177.82