#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k96 n PHE 4 N 0.00 -1.80 -0.05 6.00 3.01 -1.26 -4.82 117.46 118.54 3k96 n PHE 4 Ca 0.00 0.42 -0.03 0.00 1.01 0.00 0.00 57.45 58.85 3k96 n PHE 4 Cb 0.00 -3.64 -0.11 0.00 -0.01 0.00 0.00 39.48 35.73 3k96 n PHE 4 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 3k96 n LYS 5 N -3.73 1.49 -2.19 -1.08 4.81 -1.26 -4.88 118.16 111.31 3k96 n LYS 5 Ca -0.08 -0.04 -0.40 0.00 -0.87 0.00 0.00 58.31 56.92 3k96 n LYS 5 Cb 0.59 -1.34 -0.02 0.00 0.02 0.00 0.00 35.03 34.27 3k96 n LYS 5 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 3k96 s HIS 6 N -2.49 3.14 0.69 5.64 3.76 -1.26 -4.82 115.29 119.95 3k96 s HIS 6 Ca -0.06 1.48 -0.15 0.00 -0.15 0.00 0.00 55.06 56.18 3k96 s HIS 6 Cb 0.05 -3.59 0.02 0.00 1.11 0.00 0.00 32.58 30.17 3k96 s HIS 6 CO 0.56 -1.59 1.13 -1.25 -0.85 0.00 0.00 174.74 172.75 3k96 s PRO 7 N -1.79 2.55 -0.06 8.40 0.04 -1.26 -4.77 135.00 138.12 3k96 s PRO 7 Ca 0.49 1.47 0.05 0.00 0.04 0.00 0.00 61.00 63.05 3k96 s PRO 7 Cb -0.38 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.24 3k96 s PRO 7 CO 0.49 -1.46 -0.21 -1.50 0.04 0.00 0.00 177.00 174.37 3k96 s ILE 8 N -2.30 2.43 -0.15 0.56 2.07 -0.73 -4.47 121.20 118.61 3k96 s ILE 8 Ca 0.68 -0.94 -0.06 0.00 -1.41 0.00 0.00 60.65 58.92 3k96 s ILE 8 Cb -0.22 -1.91 -0.04 0.00 0.13 0.00 0.00 42.46 40.41 3k96 s ILE 8 CO 0.44 0.57 0.07 0.00 -1.91 0.00 0.00 174.94 174.11 3k96 s ALA 9 N -0.31 3.50 -0.19 1.50 0.00 -1.10 -1.20 121.76 123.96 3k96 s ALA 9 Ca 0.01 -0.73 0.00 0.00 0.00 0.00 0.00 51.96 51.25 3k96 s ALA 9 Cb -0.13 -1.86 0.02 0.00 0.00 0.00 0.00 23.12 21.15 3k96 s ALA 9 CO 0.02 0.35 -0.16 0.42 0.00 0.00 0.00 175.76 176.39 3k96 s ILE 10 N -0.17 2.33 -0.34 0.00 1.01 -0.03 -0.63 121.20 123.37 3k96 s ILE 10 Ca 0.08 -0.88 -0.11 0.00 0.00 0.00 0.00 60.65 59.73 3k96 s ILE 10 Cb -0.12 -2.02 -0.00 0.00 0.01 0.00 0.00 42.46 40.33 3k96 s ILE 10 CO 0.01 0.49 0.21 -0.76 0.00 0.00 0.00 174.94 174.89 3k96 s LEU 11 N 1.32 4.46 0.00 2.97 1.43 -0.19 -1.32 118.68 127.35 3k96 s LEU 11 Ca 0.05 -0.62 0.00 0.00 -1.03 0.00 0.00 54.13 52.52 3k96 s LEU 11 Cb -0.14 -2.07 0.00 0.00 0.03 0.00 0.00 46.19 44.02 3k96 s LEU 11 CO -0.11 -0.27 0.00 0.61 0.23 0.00 0.00 176.35 176.81 3k96 n GLY 12 N 5.04 3.02 1.73 -3.19 0.00 0.15 0.53 105.19 112.47 3k96 n GLY 12 Ca -0.13 -1.06 -0.18 0.00 0.00 0.00 0.00 46.02 44.65 3k96 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k96 n ALA 13 N 0.32 4.99 -1.14 4.61 0.00 -1.25 -4.38 120.51 123.65 3k96 n ALA 13 Ca 0.00 -3.50 -0.06 0.00 0.00 0.00 0.00 53.44 49.88 3k96 n ALA 13 Cb 0.00 -0.74 0.07 0.00 0.00 0.00 0.00 19.45 18.78 3k96 n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k96 n GLY 14 N -0.91 -1.95 0.20 0.00 0.00 -1.26 -4.68 105.19 96.59 3k96 n GLY 14 Ca 0.43 -1.56 -0.05 0.00 0.00 0.00 0.00 46.02 44.84 3k96 n GLY 14 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3k96 h SER 15 N -1.08 0.39 -0.20 1.61 4.64 -1.95 -1.96 113.55 115.01 3k96 h SER 15 Ca -0.13 0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 61.11 3k96 h SER 15 Cb 0.37 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3k96 h SER 15 CO 0.09 0.27 -0.26 -0.25 -0.87 0.00 0.00 176.83 175.81 3k96 h TRP 16 N 0.51 0.65 -0.56 4.77 -0.00 -1.92 0.14 115.95 119.54 3k96 h TRP 16 Ca 0.21 -0.21 0.04 0.00 -0.00 0.00 0.00 58.89 58.93 3k96 h TRP 16 Cb 0.09 -0.13 -0.04 0.00 -0.00 0.00 0.00 29.16 29.08 3k96 h TRP 16 CO -0.09 0.91 0.31 0.78 -0.00 0.00 0.00 178.44 180.35 3k96 h GLY 17 N 0.20 0.80 0.93 2.65 0.00 -1.74 -0.20 103.07 105.72 3k96 h GLY 17 Ca 0.03 -0.22 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 3k96 h GLY 17 CO 0.06 0.15 0.02 -0.84 0.00 0.00 0.00 176.54 175.94 3k96 h THR 18 N 0.59 1.25 -0.58 4.70 2.02 -1.30 -0.21 112.91 119.38 3k96 h THR 18 Ca 0.24 -0.95 0.03 0.00 0.77 0.00 0.00 66.41 66.51 3k96 h THR 18 Cb 0.11 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 67.59 3k96 h THR 18 CO -0.14 0.32 0.34 0.00 0.37 0.00 0.00 175.52 176.40 3k96 h ALA 19 N 0.89 0.75 -0.60 6.16 0.00 -0.55 0.93 119.26 126.85 3k96 h ALA 19 Ca 0.11 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3k96 h ALA 19 Cb 0.43 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 3k96 h ALA 19 CO 0.01 0.05 0.24 -0.07 0.00 0.00 0.00 179.25 179.49 3k96 h LEU 20 N 0.66 0.82 -0.93 0.00 3.38 -0.88 -0.76 115.31 117.60 3k96 h LEU 20 Ca 0.24 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 58.09 3k96 h LEU 20 Cb 0.06 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.54 3k96 h LEU 20 CO -0.12 0.76 0.60 0.00 0.09 0.00 0.00 178.44 179.77 3k96 h ALA 21 N 1.09 1.24 -0.14 1.53 0.00 -0.20 -2.29 119.26 120.48 3k96 h ALA 21 Ca 0.20 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3k96 h ALA 21 Cb 0.19 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3k96 h ALA 21 CO -0.02 0.44 0.03 -0.07 0.00 0.00 0.00 179.25 179.63 3k96 h LEU 22 N 1.14 0.22 -0.85 0.00 3.38 -0.43 0.14 115.31 118.90 3k96 h LEU 22 Ca 0.38 -0.24 0.15 0.00 0.09 0.00 0.00 57.88 58.25 3k96 h LEU 22 Cb 0.05 -0.06 -0.09 0.00 0.09 0.00 0.00 40.66 40.64 3k96 h LEU 22 CO -0.13 0.41 0.44 0.58 0.09 0.00 0.00 178.44 179.83 3k96 h VAL 23 N 0.03 0.73 0.05 1.22 2.07 -0.71 -0.69 116.25 118.95 3k96 h VAL 23 Ca 0.04 -0.22 -0.15 0.00 0.82 0.00 0.00 66.70 67.20 3k96 h VAL 23 Cb 0.27 0.04 0.01 0.00 -1.52 0.00 0.00 31.29 30.10 3k96 h VAL 23 CO 0.00 0.11 -0.60 -0.07 0.02 0.00 0.00 177.57 177.03 3k96 h LEU 24 N 0.63 0.44 -1.22 2.57 3.38 -1.25 -3.32 115.31 116.53 3k96 h LEU 24 Ca 0.47 -0.85 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 3k96 h LEU 24 Cb 0.66 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 3k96 h LEU 24 CO -0.36 1.24 0.39 0.00 0.09 0.00 0.00 178.44 179.79 3k96 h ALA 25 N 0.20 1.41 0.00 1.53 0.00 -0.39 -1.86 119.26 120.15 3k96 h ALA 25 Ca -0.09 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 3k96 h ALA 25 Cb 1.38 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3k96 h ALA 25 CO 0.12 0.50 -0.12 0.00 0.00 0.00 0.00 179.25 179.75 3k96 h ARG 26 N 0.94 0.00 -0.12 0.00 3.08 -1.26 -0.68 114.38 116.34 3k96 h ARG 26 Ca 0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.29 3k96 h ARG 26 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3k96 h ARG 26 CO -0.04 0.12 0.00 1.63 -1.07 0.00 0.00 179.97 180.61 3k96 n LYS 27 N -3.88 1.42 -0.56 0.04 5.02 -0.72 -4.89 118.16 114.59 3k96 n LYS 27 Ca -0.02 -0.64 0.00 0.00 -2.02 0.00 0.00 58.31 55.63 3k96 n LYS 27 Cb 0.21 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 33.92 3k96 n LYS 27 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k96 n GLY 28 N 0.94 0.75 3.78 0.72 0.00 -0.26 -5.05 105.19 106.08 3k96 n GLY 28 Ca 0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 3k96 n GLY 28 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k96 s GLN 29 N -0.44 4.51 -0.02 1.61 -0.21 -1.08 -5.00 119.66 119.02 3k96 s GLN 29 Ca 0.00 1.33 -0.30 0.00 0.02 0.00 0.00 55.36 56.41 3k96 s GLN 29 Cb 0.00 -2.72 -0.03 0.00 1.00 0.00 0.00 33.01 31.26 3k96 s GLN 29 CO 0.00 0.21 1.02 0.15 -2.12 0.00 0.00 175.29 174.54 3k96 s LYS 30 N -2.20 4.50 -0.03 2.91 1.02 -1.26 -4.13 119.74 120.56 3k96 s LYS 30 Ca 0.52 1.46 0.03 0.00 0.02 0.00 0.00 55.97 58.00 3k96 s LYS 30 Cb -0.18 -3.48 -0.00 0.00 -0.52 0.00 0.00 37.83 33.65 3k96 s LYS 30 CO 0.23 -0.15 -0.12 0.08 -0.92 0.00 0.00 175.35 174.47 3k96 s VAL 31 N 1.33 0.98 -0.22 3.17 1.01 0.09 -1.77 120.40 124.99 3k96 s VAL 31 Ca 0.52 -0.48 -0.02 0.00 0.00 0.00 0.00 61.98 62.00 3k96 s VAL 31 Cb -0.21 -0.85 0.01 0.00 0.00 0.00 0.00 36.38 35.33 3k96 s VAL 31 CO 0.25 0.29 -0.09 -0.13 0.00 0.00 0.00 175.10 175.43 3k96 s ARG 32 N 0.05 3.15 -0.35 2.72 0.52 -0.34 -2.16 118.95 122.54 3k96 s ARG 32 Ca -0.01 -0.76 -0.08 0.00 -0.52 0.00 0.00 55.73 54.35 3k96 s ARG 32 Cb -0.08 -2.89 0.03 0.00 0.52 0.00 0.00 34.95 32.52 3k96 s ARG 32 CO 0.01 -0.25 0.15 -1.17 0.02 0.00 0.00 175.30 174.05 3k96 s LEU 33 N 1.40 4.41 0.11 2.53 2.96 -0.05 -0.85 118.68 129.18 3k96 s LEU 33 Ca 0.04 -0.99 0.05 0.00 -0.22 0.00 0.00 54.13 53.01 3k96 s LEU 33 Cb -0.14 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 3k96 s LEU 33 CO -0.06 -0.33 0.03 0.86 -1.32 0.00 0.00 176.35 175.54 3k96 s TRP 34 N 1.49 3.03 -0.03 5.38 -0.00 -0.44 0.06 118.94 128.44 3k96 s TRP 34 Ca 0.01 -0.02 -0.11 0.00 -0.00 0.00 0.00 56.10 55.98 3k96 s TRP 34 Cb -0.19 -1.53 0.02 0.00 -0.00 0.00 0.00 33.47 31.76 3k96 s TRP 34 CO 0.05 0.50 0.24 0.45 -0.00 0.00 0.00 176.95 178.19 3k96 s SER 35 N -2.49 -0.14 0.00 5.86 0.15 -1.22 -0.68 113.70 115.18 3k96 s SER 35 Ca 0.27 0.08 0.28 0.00 0.70 0.00 0.00 55.95 57.28 3k96 s SER 35 Cb -0.11 0.32 1.13 0.00 -1.71 0.00 0.00 66.02 65.65 3k96 s SER 35 CO 0.20 -0.35 1.79 0.00 1.20 0.00 0.00 173.24 176.08 3k96 n TYR 36 N 1.66 0.00 -2.99 3.44 0.18 -1.26 -4.65 117.16 113.54 3k96 n TYR 36 Ca -0.20 0.00 -0.44 0.00 1.88 0.00 0.00 57.90 59.14 3k96 n TYR 36 Cb 0.56 -0.09 -0.04 0.00 -0.38 0.00 0.00 39.34 39.39 3k96 n TYR 36 CO 0.00 0.00 0.00 -1.21 -2.08 0.00 0.00 176.86 173.57 3k96 s GLU 37 N -2.29 3.08 0.13 -3.48 2.02 -1.26 -4.94 118.70 111.96 3k96 s GLU 37 Ca 0.32 -1.07 -0.28 0.00 0.02 0.00 0.00 54.97 53.97 3k96 s GLU 37 Cb 0.20 -4.24 -0.04 0.00 0.10 0.00 0.00 34.13 30.15 3k96 s GLU 37 CO 0.43 -1.67 1.59 1.03 0.02 0.00 0.00 175.26 176.67 3k96 h SER 38 N 9.37 -1.18 -0.98 -0.19 0.87 -1.97 -2.27 113.55 117.20 3k96 h SER 38 Ca -0.29 0.16 0.07 0.00 -1.23 0.00 0.00 61.79 60.51 3k96 h SER 38 Cb 1.08 0.49 -0.07 0.00 -0.44 0.00 0.00 62.40 63.46 3k96 h SER 38 CO 1.14 -0.40 0.63 -2.24 -0.53 0.00 0.00 176.83 175.43 3k96 h ASP 39 N -0.45 0.99 -0.50 6.23 2.03 -1.98 -1.55 116.42 121.19 3k96 h ASP 39 Ca 0.09 0.01 -0.06 0.00 -0.73 0.00 0.00 57.03 56.34 3k96 h ASP 39 Cb 0.59 -0.20 -0.02 0.00 -0.83 0.00 0.00 39.33 38.88 3k96 h ASP 39 CO -0.38 0.62 0.08 -0.74 -1.03 0.00 0.00 179.24 177.79 3k96 h HIS 40 N 1.12 0.88 -0.97 4.15 2.76 -1.89 -1.97 115.15 119.23 3k96 h HIS 40 Ca 0.43 -0.12 0.02 0.00 -2.20 0.00 0.00 60.37 58.50 3k96 h HIS 40 Cb 0.22 -0.24 -0.05 0.00 1.55 0.00 0.00 27.41 28.89 3k96 h HIS 40 CO -0.00 0.80 0.64 0.28 -1.30 0.00 0.00 177.93 178.35 3k96 h VAL 41 N 0.70 1.21 -0.97 5.26 2.07 -0.80 -1.25 116.25 122.48 3k96 h VAL 41 Ca 0.15 -0.44 0.01 0.00 0.82 0.00 0.00 66.70 67.24 3k96 h VAL 41 Cb 0.39 -0.17 -0.05 0.00 -1.52 0.00 0.00 31.29 29.94 3k96 h VAL 41 CO 0.01 0.23 0.63 0.44 0.02 0.00 0.00 177.57 178.90 3k96 h ASP 42 N 1.27 1.13 -0.47 0.57 3.32 -0.89 0.22 116.42 121.57 3k96 h ASP 42 Ca 0.37 -0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.33 3k96 h ASP 42 Cb -0.08 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.16 3k96 h ASP 42 CO -0.10 0.83 0.12 -0.33 -1.72 0.00 0.00 179.24 178.04 3k96 h GLU 43 N 1.33 0.76 -0.25 3.56 5.08 -0.53 -1.47 114.58 123.06 3k96 h GLU 43 Ca 0.36 -0.18 -0.05 0.00 -1.00 0.00 0.00 59.36 58.49 3k96 h GLU 43 Cb -0.13 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 3k96 h GLU 43 CO -0.07 0.74 -0.03 0.52 -1.00 0.00 0.00 179.01 179.17 3k96 h MET 44 N 0.64 0.45 -0.73 2.33 2.86 -0.80 0.81 114.93 120.50 3k96 h MET 44 Ca 0.15 -0.16 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 3k96 h MET 44 Cb 0.32 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 3k96 h MET 44 CO 0.00 0.65 0.28 1.96 1.06 0.00 0.00 176.91 180.86 3k96 h GLN 45 N 0.21 1.09 -0.03 1.72 4.20 -0.95 0.23 115.11 121.58 3k96 h GLN 45 Ca 0.07 -0.19 -0.22 0.00 0.06 0.00 0.00 58.65 58.37 3k96 h GLN 45 Cb 0.46 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.07 3k96 h GLN 45 CO 0.02 0.89 -0.88 0.00 -0.67 0.00 0.00 178.83 178.19 3k96 h ALA 46 N 1.24 0.41 0.00 3.87 0.00 -1.17 -3.37 119.26 120.25 3k96 h ALA 46 Ca 0.24 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.48 3k96 h ALA 46 Cb 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3k96 h ALA 46 CO -0.02 0.79 -1.86 0.39 0.00 0.00 0.00 179.25 178.56 3k96 n GLU 47 N -3.78 0.60 -2.36 0.00 1.02 0.27 -5.00 120.64 111.39 3k96 n GLU 47 Ca -0.06 -0.17 -0.12 0.00 -0.02 0.00 0.00 57.16 56.79 3k96 n GLU 47 Cb 0.80 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.75 3k96 n GLU 47 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k96 n GLY 48 N 1.36 -0.08 3.56 0.62 0.00 0.81 -4.97 105.19 106.50 3k96 n GLY 48 Ca -0.03 -0.36 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 3k96 n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k96 s VAL 49 N -2.68 0.00 -0.90 1.61 0.11 -1.25 -0.86 120.40 116.43 3k96 s VAL 49 Ca 0.05 -0.28 -0.04 0.00 -2.93 0.00 0.00 61.98 58.78 3k96 s VAL 49 Cb -0.02 -1.30 0.22 0.00 -1.53 0.00 0.00 36.38 33.75 3k96 s VAL 49 CO 0.06 0.00 0.80 0.21 -3.33 0.00 0.00 175.10 172.85 3k96 s ASN 50 N -2.76 6.23 0.35 3.54 3.84 -1.26 -4.27 114.94 120.61 3k96 s ASN 50 Ca 0.05 -3.51 0.08 0.00 0.21 0.00 0.00 52.86 49.69 3k96 s ASN 50 Cb -0.02 -1.99 0.65 0.00 -0.55 0.00 0.00 41.25 39.34 3k96 s ASN 50 CO -0.07 -0.26 1.83 0.78 -2.79 0.00 0.00 177.10 176.60 3k96 h ASN 51 N 6.41 0.24 1.32 -4.21 2.35 -1.93 0.23 115.58 119.98 3k96 h ASN 51 Ca 0.14 -0.07 -0.10 0.00 -0.55 0.00 0.00 56.30 55.72 3k96 h ASN 51 Cb 0.86 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 39.15 3k96 h ASN 51 CO 0.86 0.48 -0.47 0.08 -1.65 0.00 0.00 177.43 176.73 3k96 h ARG 52 N 0.22 0.00 0.00 0.81 0.11 -1.98 -3.35 114.38 110.19 3k96 h ARG 52 Ca 0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.12 3k96 h ARG 52 Cb 0.54 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.62 3k96 h ARG 52 CO 0.04 0.47 -0.98 0.66 0.10 0.00 0.00 179.97 180.26 3k96 n TYR 53 N -3.29 0.00 -2.87 4.08 4.01 -1.19 -4.90 117.16 112.99 3k96 n TYR 53 Ca 0.01 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.63 3k96 n TYR 53 Cb 0.68 -0.01 0.04 0.00 -0.31 0.00 0.00 39.34 39.73 3k96 n TYR 53 CO 0.00 0.00 0.00 -0.11 -0.46 0.00 0.00 176.86 176.29 3k96 n LEU 54 N -1.50 -1.66 -4.76 7.72 7.94 0.76 -4.42 117.00 121.09 3k96 n LEU 54 Ca -0.00 -3.93 -0.33 0.00 -1.11 0.00 0.00 56.01 50.64 3k96 n LEU 54 Cb 0.01 0.83 0.07 0.00 0.53 0.00 0.00 43.42 44.87 3k96 n LEU 54 CO 0.01 2.09 0.74 -2.16 -1.11 0.00 0.00 177.39 176.96 3k96 s PRO 55 N -0.24 2.45 0.00 1.96 0.04 -0.98 -3.79 135.00 134.44 3k96 s PRO 55 Ca 0.30 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.75 3k96 s PRO 55 Cb 0.27 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.90 3k96 s PRO 55 CO -0.12 -1.53 0.00 0.09 0.04 0.00 0.00 177.00 175.48 3k96 n ASN 56 N -2.84 -2.17 -3.63 6.66 3.02 -1.26 -5.01 115.26 110.03 3k96 n ASN 56 Ca 0.11 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.37 3k96 n ASN 56 Cb 0.52 -0.36 -0.12 0.00 -0.61 0.00 0.00 39.78 39.21 3k96 n ASN 56 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3k96 s TYR 57 N -2.04 1.90 0.54 3.10 2.02 -1.25 -5.12 117.35 116.51 3k96 s TYR 57 Ca 0.00 -2.50 -0.22 0.00 -0.37 0.00 0.00 57.07 53.99 3k96 s TYR 57 Cb 0.00 -1.65 -0.05 0.00 -0.40 0.00 0.00 41.96 39.85 3k96 s TYR 57 CO 0.00 -0.75 1.33 -2.30 -1.57 0.00 0.00 175.55 172.26 3k96 n PRO 58 N 3.06 1.65 -2.42 -1.71 -0.02 -1.26 -4.53 135.00 129.78 3k96 n PRO 58 Ca 0.18 0.61 -0.41 0.00 -2.02 0.00 0.00 63.50 61.86 3k96 n PRO 58 Cb 0.39 -2.54 -0.04 0.00 -0.02 0.00 0.00 33.50 31.29 3k96 n PRO 58 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3k96 s PHE 59 N -1.29 3.49 1.06 6.00 0.08 -0.04 -4.98 117.98 122.29 3k96 s PHE 59 Ca 0.71 1.56 -0.16 0.00 0.12 0.00 0.00 56.93 59.17 3k96 s PHE 59 Cb -0.42 -3.36 0.22 0.00 -0.57 0.00 0.00 43.02 38.88 3k96 s PHE 59 CO 0.49 -0.89 1.14 -2.14 -0.10 0.00 0.00 175.22 173.72 3k96 s PRO 60 N -0.85 -0.07 0.29 0.24 0.02 -1.26 -4.93 135.00 128.45 3k96 s PRO 60 Ca 0.49 0.11 -0.01 0.00 0.02 0.00 0.00 61.00 61.61 3k96 s PRO 60 Cb -0.32 -1.71 0.43 0.00 0.02 0.00 0.00 34.50 32.92 3k96 s PRO 60 CO 0.39 -2.98 1.86 1.49 -0.33 0.00 0.00 177.00 177.43 3k96 h GLU 61 N -2.06 0.84 0.00 5.54 4.57 -1.96 -2.43 114.58 119.07 3k96 h GLU 61 Ca -0.49 -0.15 0.00 0.00 -1.18 0.00 0.00 59.36 57.54 3k96 h GLU 61 Cb 1.31 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.76 3k96 h GLU 61 CO 0.47 0.72 0.00 0.25 -1.18 0.00 0.00 179.01 179.27 3k96 n THR 62 N -4.30 0.05 -3.89 0.32 -2.24 -1.26 -4.62 114.28 98.33 3k96 n THR 62 Ca 0.04 0.01 -0.35 0.00 -2.27 0.00 0.00 64.05 61.48 3k96 n THR 62 Cb 0.19 -0.73 -0.14 0.00 -2.10 0.00 0.00 70.33 67.56 3k96 n THR 62 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3k96 s LEU 63 N -2.05 3.21 -0.01 3.22 2.96 -0.92 -0.73 118.68 124.36 3k96 s LEU 63 Ca 0.26 -0.63 0.04 0.00 -0.22 0.00 0.00 54.13 53.58 3k96 s LEU 63 Cb 0.12 -1.74 -0.01 0.00 0.50 0.00 0.00 46.19 45.06 3k96 s LEU 63 CO 0.22 -0.10 -0.12 -0.54 -1.32 0.00 0.00 176.35 174.49 3k96 s LYS 64 N 1.43 0.98 0.17 1.98 -0.14 -0.92 -4.72 119.74 118.52 3k96 s LYS 64 Ca 0.03 -0.45 -0.26 0.00 -1.36 0.00 0.00 55.97 53.94 3k96 s LYS 64 Cb -0.16 -0.95 -0.08 0.00 -1.68 0.00 0.00 37.83 34.96 3k96 s LYS 64 CO -0.02 0.26 0.79 0.00 -0.76 0.00 0.00 175.35 175.61 3k96 s ALA 65 N -0.31 3.44 0.09 5.17 0.00 -1.26 -0.87 121.76 128.02 3k96 s ALA 65 Ca 0.05 0.38 0.10 0.00 0.00 0.00 0.00 51.96 52.48 3k96 s ALA 65 Cb -0.05 -2.98 -0.04 0.00 0.00 0.00 0.00 23.12 20.06 3k96 s ALA 65 CO -0.00 0.27 -0.24 0.71 0.00 0.00 0.00 175.76 176.50 3k96 s TYR 66 N -1.09 2.38 -0.21 0.00 1.51 0.11 -4.87 117.35 115.18 3k96 s TYR 66 Ca 0.36 -0.35 0.08 0.00 -1.01 0.00 0.00 57.07 56.15 3k96 s TYR 66 Cb -0.23 -1.33 -0.18 0.00 -0.11 0.00 0.00 41.96 40.11 3k96 s TYR 66 CO 0.27 0.28 -0.09 0.00 -1.11 0.00 0.00 175.55 174.90 3k96 s ASP 68 N -5.79 5.88 0.17 0.00 2.15 -1.26 -4.86 116.67 112.96 3k96 s ASP 68 Ca -0.21 -0.22 -0.14 0.00 0.43 0.00 0.00 52.55 52.41 3k96 s ASP 68 Cb 0.07 -2.09 0.12 0.00 -0.30 0.00 0.00 42.92 40.72 3k96 s ASP 68 CO 0.62 -0.12 1.77 0.25 -0.17 0.00 0.00 175.17 177.51 3k96 h LEU 69 N 8.39 0.27 -0.18 -1.34 5.85 -1.94 -1.04 115.31 125.32 3k96 h LEU 69 Ca -0.34 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.46 3k96 h LEU 69 Cb 1.17 -0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 3k96 h LEU 69 CO 0.59 0.19 -0.10 0.50 -0.34 0.00 0.00 178.44 179.28 3k96 h LYS 70 N 0.41 -0.08 -0.92 1.25 3.64 -1.97 -2.17 116.57 116.73 3k96 h LYS 70 Ca 0.21 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.61 3k96 h LYS 70 Cb 0.16 0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 31.95 3k96 h LYS 70 CO -0.18 -0.06 0.61 0.00 -2.27 0.00 0.00 179.45 177.56 3k96 h ALA 71 N 1.07 1.35 0.00 5.00 0.00 -1.85 -1.98 119.26 122.84 3k96 h ALA 71 Ca 0.10 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3k96 h ALA 71 Cb 0.24 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3k96 h ALA 71 CO -0.24 0.61 -0.26 0.66 0.00 0.00 0.00 179.25 180.02 3k96 h SER 72 N 1.24 0.00 0.15 0.00 4.64 -0.67 -2.93 113.55 115.99 3k96 h SER 72 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3k96 h SER 72 Cb -0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 3k96 h SER 72 CO -0.07 0.26 -0.49 0.18 -0.87 0.00 0.00 176.83 175.83 3k96 n LEU 73 N -3.71 1.28 -4.62 5.97 4.77 -0.85 -4.71 117.00 115.13 3k96 n LEU 73 Ca -0.01 -0.43 -0.43 0.00 -0.03 0.00 0.00 56.01 55.11 3k96 n LEU 73 Cb 0.37 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.36 3k96 n LEU 73 CO 0.34 0.25 1.36 -0.70 -1.33 0.00 0.00 177.39 177.32 3k96 s GLU 74 N -2.65 3.73 0.00 3.23 2.56 -0.80 -1.71 118.70 123.05 3k96 s GLU 74 Ca 0.18 1.55 0.00 0.00 0.00 0.00 0.00 54.97 56.70 3k96 s GLU 74 Cb 0.18 -4.04 0.00 0.00 2.00 0.00 0.00 34.13 32.27 3k96 s GLU 74 CO 0.62 -1.37 0.00 0.41 -0.56 0.00 0.00 175.26 174.36 3k96 n GLY 75 N 4.76 0.76 3.82 -1.50 0.00 -1.26 -5.05 105.19 106.73 3k96 n GLY 75 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 3k96 n GLY 75 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k96 s VAL 76 N -2.64 5.39 -0.08 1.61 1.01 -0.70 -4.60 120.40 120.39 3k96 s VAL 76 Ca 0.00 0.35 0.08 0.00 0.00 0.00 0.00 61.98 62.41 3k96 s VAL 76 Cb 0.00 -3.49 -0.11 0.00 0.00 0.00 0.00 36.38 32.77 3k96 s VAL 76 CO 0.00 0.55 0.04 0.35 0.00 0.00 0.00 175.10 176.04 3k96 n THR 77 N 2.46 0.58 -3.82 3.92 -2.24 -1.26 -4.94 114.28 108.99 3k96 n THR 77 Ca -0.17 -0.37 -0.36 0.00 -2.27 0.00 0.00 64.05 60.87 3k96 n THR 77 Cb 0.54 -0.70 -0.11 0.00 -2.10 0.00 0.00 70.33 67.95 3k96 n THR 77 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3k96 s ASP 78 N -4.05 5.50 -0.08 3.42 1.01 -1.26 -0.08 116.67 121.12 3k96 s ASP 78 Ca -0.04 -0.06 0.04 0.00 0.71 0.00 0.00 52.55 53.20 3k96 s ASP 78 Cb 0.03 -1.98 -0.00 0.00 1.01 0.00 0.00 42.92 41.98 3k96 s ASP 78 CO 0.37 0.04 -0.21 -0.63 0.21 0.00 0.00 175.17 174.95 3k96 s ILE 79 N 1.18 1.81 -0.25 0.77 1.01 -0.53 -2.71 121.20 122.48 3k96 s ILE 79 Ca 0.05 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.80 3k96 s ILE 79 Cb -0.14 -1.57 0.04 0.00 0.01 0.00 0.00 42.46 40.80 3k96 s ILE 79 CO 0.04 0.51 -0.08 -0.22 0.00 0.00 0.00 174.94 175.18 3k96 s LEU 80 N 0.23 3.27 -0.22 2.97 2.96 0.20 -0.05 118.68 128.03 3k96 s LEU 80 Ca -0.12 -1.08 -0.12 0.00 -0.22 0.00 0.00 54.13 52.58 3k96 s LEU 80 Cb -0.16 -1.61 -0.05 0.00 0.50 0.00 0.00 46.19 44.87 3k96 s LEU 80 CO 0.06 -0.16 0.22 -0.63 -1.32 0.00 0.00 176.35 174.53 3k96 s ILE 81 N 1.24 5.32 -0.21 6.68 1.01 0.53 -1.02 121.20 134.75 3k96 s ILE 81 Ca -0.03 0.34 0.20 0.00 0.00 0.00 0.00 60.65 61.15 3k96 s ILE 81 Cb -0.18 -3.56 0.48 0.00 0.01 0.00 0.00 42.46 39.21 3k96 s ILE 81 CO -0.05 0.33 1.15 0.52 0.00 0.00 0.00 174.94 176.89 3k96 n VAL 82 N 4.18 1.32 -2.12 2.92 0.31 0.19 -0.70 118.33 124.43 3k96 n VAL 82 Ca -0.13 -2.79 -0.28 0.00 -0.01 0.00 0.00 64.34 61.12 3k96 n VAL 82 Cb 0.52 0.63 0.04 0.00 -0.91 0.00 0.00 33.84 34.13 3k96 n VAL 82 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3k96 s VAL 83 N -3.11 3.42 0.64 2.52 -7.23 -1.12 -4.61 120.40 110.92 3k96 s VAL 83 Ca 0.34 0.21 -0.18 0.00 -1.81 0.00 0.00 61.98 60.55 3k96 s VAL 83 Cb 0.36 -3.42 -0.01 0.00 0.56 0.00 0.00 36.38 33.87 3k96 s VAL 83 CO -0.05 -0.50 1.25 -2.84 -0.31 0.00 0.00 175.10 172.65 3k96 s PRO 84 N -5.21 2.62 0.27 4.82 0.02 -1.26 -4.61 135.00 131.65 3k96 s PRO 84 Ca 0.57 1.93 -0.00 0.00 0.02 0.00 0.00 61.00 63.51 3k96 s PRO 84 Cb -0.11 -1.87 0.54 0.00 0.02 0.00 0.00 34.50 33.08 3k96 s PRO 84 CO 0.48 -1.51 1.78 0.66 -0.33 0.00 0.00 177.00 178.09 3k96 h SER 85 N 0.52 0.65 0.24 2.53 4.64 -1.94 -0.55 113.55 119.64 3k96 h SER 85 Ca -0.50 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 3k96 h SER 85 Cb 1.32 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3k96 h SER 85 CO 0.53 0.30 0.00 2.19 -0.87 0.00 0.00 176.83 178.98 3k96 h PHE 86 N 0.73 0.00 -0.11 4.77 -5.15 -1.90 -2.80 116.94 112.47 3k96 h PHE 86 Ca 0.47 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.24 3k96 h PHE 86 Cb 0.61 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.78 3k96 h PHE 86 CO -0.06 0.00 0.00 0.00 -2.00 0.00 0.00 178.31 176.25 3k96 n ALA 87 N -1.96 2.40 -0.03 12.09 0.00 -0.24 -4.67 120.51 128.11 3k96 n ALA 87 Ca -0.01 -0.74 -0.12 0.00 0.00 0.00 0.00 53.44 52.56 3k96 n ALA 87 Cb 0.11 -0.42 -0.07 0.00 0.00 0.00 0.00 19.45 19.08 3k96 n ALA 87 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 3k96 h PHE 88 N 2.27 0.20 -0.71 0.00 3.57 -1.23 -0.88 116.94 120.16 3k96 h PHE 88 Ca 0.00 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 3k96 h PHE 88 Cb 0.56 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.21 3k96 h PHE 88 CO 0.07 0.42 0.37 1.25 -2.23 0.00 0.00 178.31 178.18 3k96 h HIS 89 N -0.07 1.00 -0.60 0.41 2.76 -1.83 -0.36 115.15 116.45 3k96 h HIS 89 Ca 0.03 -0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 3k96 h HIS 89 Cb 0.33 -0.32 -0.03 0.00 1.55 0.00 0.00 27.41 28.95 3k96 h HIS 89 CO 0.03 0.72 0.27 1.49 -1.30 0.00 0.00 177.93 179.13 3k96 h GLU 90 N 0.99 0.89 -0.36 5.26 4.57 -1.81 -0.27 114.58 123.84 3k96 h GLU 90 Ca 0.25 -0.15 -0.05 0.00 -1.18 0.00 0.00 59.36 58.23 3k96 h GLU 90 Cb 0.07 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 3k96 h GLU 90 CO -0.04 0.74 0.02 0.28 -1.18 0.00 0.00 179.01 178.83 3k96 h VAL 91 N 0.83 1.25 -0.54 0.32 2.07 -0.83 -1.68 116.25 117.66 3k96 h VAL 91 Ca 0.20 -0.93 0.06 0.00 0.82 0.00 0.00 66.70 66.85 3k96 h VAL 91 Cb 0.16 1.15 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 3k96 h VAL 91 CO -0.02 0.31 0.25 0.40 0.02 0.00 0.00 177.57 178.53 3k96 h ILE 92 N 0.44 0.90 -0.69 4.57 1.08 -0.88 -0.46 117.51 122.47 3k96 h ILE 92 Ca 0.10 -0.16 0.05 0.00 -0.39 0.00 0.00 64.86 64.46 3k96 h ILE 92 Cb 0.42 0.38 -0.05 0.00 -3.07 0.00 0.00 36.82 34.50 3k96 h ILE 92 CO 0.01 0.09 0.40 0.74 -0.69 0.00 0.00 178.15 178.70 3k96 h THR 93 N 0.48 1.01 0.00 -0.27 2.02 -0.70 -1.53 112.91 113.91 3k96 h THR 93 Ca 0.25 -0.26 -0.07 0.00 0.77 0.00 0.00 66.41 67.10 3k96 h THR 93 Cb 0.21 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 3k96 h THR 93 CO -0.20 0.14 -0.34 0.03 0.37 0.00 0.00 175.52 175.51 3k96 h ARG 94 N 0.75 0.00 0.00 6.66 3.08 -0.57 -2.71 114.38 121.59 3k96 h ARG 94 Ca 0.30 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.24 3k96 h ARG 94 Cb 0.14 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.18 3k96 h ARG 94 CO -0.16 0.34 -0.53 0.52 -1.07 0.00 0.00 179.97 179.07 3k96 h MET 95 N 0.00 0.00 -0.74 0.04 2.86 -0.19 -3.38 114.93 113.52 3k96 h MET 95 Ca -0.00 0.00 0.14 0.00 -2.06 0.00 0.00 59.70 57.78 3k96 h MET 95 Cb 0.62 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 32.14 3k96 h MET 95 CO 0.04 0.53 -0.23 -0.22 1.06 0.00 0.00 176.91 178.10 3k96 h LYS 96 N 0.00 -0.03 -0.13 1.72 3.64 -0.97 0.11 116.57 120.90 3k96 h LYS 96 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3k96 h LYS 96 Cb 1.23 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 3k96 h LYS 96 CO 0.07 -0.02 0.00 -0.35 -2.27 0.00 0.00 179.45 176.88 3k96 n PRO 97 N -5.49 1.62 -0.02 1.90 -0.04 -1.26 -3.92 135.00 127.80 3k96 n PRO 97 Ca 0.09 -0.94 0.06 0.00 -0.04 0.00 0.00 63.50 62.68 3k96 n PRO 97 Cb 0.38 -1.39 -0.13 0.00 -0.04 0.00 0.00 33.50 32.32 3k96 n PRO 97 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3k96 n LEU 98 N 0.16 0.00 -4.94 1.53 4.77 0.29 -5.00 117.00 113.80 3k96 n LEU 98 Ca 0.16 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.90 3k96 n LEU 98 Cb 0.29 0.07 0.04 0.00 -2.33 0.00 0.00 43.42 41.50 3k96 n LEU 98 CO 0.13 0.07 0.48 0.27 -1.33 0.00 0.00 177.39 177.01 3k96 s ILE 99 N -3.07 2.93 0.37 -0.08 -4.36 -0.73 -4.98 121.20 111.27 3k96 s ILE 99 Ca -0.07 -0.36 0.01 0.00 -0.26 0.00 0.00 60.65 59.98 3k96 s ILE 99 Cb 0.10 -3.17 -0.00 0.00 1.25 0.00 0.00 42.46 40.64 3k96 s ILE 99 CO 0.72 -0.15 0.04 -0.90 0.24 0.00 0.00 174.94 174.89 3k96 n ASP 100 N -2.56 2.37 -0.32 4.36 5.68 -1.26 -5.03 116.55 119.78 3k96 n ASP 100 Ca 0.06 -2.72 0.16 0.00 -0.50 0.00 0.00 54.79 51.78 3k96 n ASP 100 Cb 0.59 0.48 0.35 0.00 -1.14 0.00 0.00 41.12 41.40 3k96 n ASP 100 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3k96 h ALA 101 N 1.33 1.61 -0.49 2.12 0.00 -2.01 -2.12 119.26 119.70 3k96 h ALA 101 Ca -0.30 0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3k96 h ALA 101 Cb 0.98 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3k96 h ALA 101 CO 0.49 -0.32 0.00 0.36 0.00 0.00 0.00 179.25 179.78 3k96 n LYS 102 N -4.98 4.13 -2.30 0.00 2.85 -1.26 -4.96 118.16 111.65 3k96 n LYS 102 Ca 0.25 -2.59 -0.41 0.00 -1.05 0.00 0.00 58.31 54.51 3k96 n LYS 102 Cb 0.71 -2.10 -0.03 0.00 -0.65 0.00 0.00 35.03 32.96 3k96 n LYS 102 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 3k96 s THR 103 N -2.38 3.18 -0.02 0.58 2.01 -0.80 -4.83 115.64 113.38 3k96 s THR 103 Ca 0.45 1.13 0.07 0.00 0.31 0.00 0.00 61.69 63.66 3k96 s THR 103 Cb 0.34 -3.72 -0.02 0.00 0.01 0.00 0.00 72.50 69.11 3k96 s THR 103 CO 0.14 0.25 -0.23 -0.13 -0.69 0.00 0.00 174.62 173.96 3k96 s ARG 104 N -1.29 1.87 -0.16 4.92 0.52 0.88 -4.46 118.95 121.23 3k96 s ARG 104 Ca 0.48 -0.84 0.00 0.00 -0.52 0.00 0.00 55.73 54.86 3k96 s ARG 104 Cb -0.35 -1.81 0.03 0.00 0.52 0.00 0.00 34.95 33.33 3k96 s ARG 104 CO 0.45 0.50 -0.11 0.42 0.02 0.00 0.00 175.30 176.57 3k96 s ILE 105 N -0.55 1.47 0.29 1.52 -1.09 -0.48 -1.45 121.20 120.91 3k96 s ILE 105 Ca 0.09 -0.70 0.11 0.00 -2.23 0.00 0.00 60.65 57.92 3k96 s ILE 105 Cb -0.09 -1.47 -0.05 0.00 -1.58 0.00 0.00 42.46 39.27 3k96 s ILE 105 CO -0.01 0.32 -0.11 0.00 -1.23 0.00 0.00 174.94 173.91 3k96 s ALA 106 N 1.50 2.93 -0.00 9.38 0.00 0.92 -1.94 121.76 134.56 3k96 s ALA 106 Ca 0.03 -1.85 -0.15 0.00 0.00 0.00 0.00 51.96 49.99 3k96 s ALA 106 Cb -0.14 -0.39 0.02 0.00 0.00 0.00 0.00 23.12 22.61 3k96 s ALA 106 CO -0.09 0.23 0.31 1.67 0.00 0.00 0.00 175.76 177.88 3k96 s TRP 107 N -2.47 -0.16 -0.61 0.00 -2.14 -0.47 -0.35 118.94 112.74 3k96 s TRP 107 Ca 0.31 0.20 0.06 0.00 2.66 0.00 0.00 56.10 59.33 3k96 s TRP 107 Cb -0.04 0.10 0.02 0.00 -3.10 0.00 0.00 33.47 30.44 3k96 s TRP 107 CO 0.17 -0.42 0.55 0.41 -2.66 0.00 0.00 176.95 175.01 3k96 n GLY 108 N 1.11 -0.47 3.76 3.67 0.00 0.12 -1.44 105.19 111.95 3k96 n GLY 108 Ca -0.21 -0.17 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 3k96 n GLY 108 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3k96 n THR 109 N -0.09 1.50 -4.99 2.61 -1.04 -1.21 -4.93 114.28 106.12 3k96 n THR 109 Ca 0.03 -0.37 -0.32 0.00 -2.04 0.00 0.00 64.05 61.34 3k96 n THR 109 Cb 0.13 -2.00 -0.16 0.00 -1.82 0.00 0.00 70.33 66.49 3k96 n THR 109 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3k96 s LYS 110 N -1.29 3.17 0.00 -2.82 1.02 -1.26 -5.02 119.74 113.54 3k96 s LYS 110 Ca 0.59 -0.80 0.00 0.00 0.02 0.00 0.00 55.97 55.77 3k96 s LYS 110 Cb -0.48 -2.44 0.00 0.00 -0.52 0.00 0.00 37.83 34.39 3k96 s LYS 110 CO 0.56 0.17 0.00 0.41 -0.92 0.00 0.00 175.35 175.57 3k96 n GLY 111 N 3.60 0.70 3.65 -3.33 0.00 -1.26 -4.52 105.19 104.03 3k96 n GLY 111 Ca -0.19 -1.87 -0.23 0.00 0.00 0.00 0.00 46.02 43.73 3k96 n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3k96 s LEU 112 N 0.00 3.13 0.38 0.99 1.43 -1.26 -4.31 118.68 119.04 3k96 s LEU 112 Ca 0.00 -0.75 0.08 0.00 -1.03 0.00 0.00 54.13 52.43 3k96 s LEU 112 Cb 0.00 -1.62 -0.05 0.00 0.03 0.00 0.00 46.19 44.55 3k96 s LEU 112 CO 0.00 -0.09 0.10 0.00 0.23 0.00 0.00 176.35 176.59 3k96 s ALA 113 N -2.39 3.40 0.26 4.21 0.00 0.37 -4.83 121.76 122.78 3k96 s ALA 113 Ca 0.33 -2.05 -0.27 0.00 0.00 0.00 0.00 51.96 49.97 3k96 s ALA 113 Cb -0.04 -0.36 -0.15 0.00 0.00 0.00 0.00 23.12 22.56 3k96 s ALA 113 CO 0.20 -0.06 0.71 0.36 0.00 0.00 0.00 175.76 176.97 3k96 n LYS 114 N -1.10 0.60 -0.72 0.00 2.85 -1.26 -1.11 118.16 117.42 3k96 n LYS 114 Ca -0.03 0.21 0.00 0.00 -1.05 0.00 0.00 58.31 57.44 3k96 n LYS 114 Cb 0.64 -1.39 0.00 0.00 -0.65 0.00 0.00 35.03 33.63 3k96 n LYS 114 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3k96 n GLY 115 N 1.67 0.59 3.84 2.58 0.00 -1.26 -4.01 105.19 108.60 3k96 n GLY 115 Ca 0.14 -0.48 -0.26 0.00 0.00 0.00 0.00 46.02 45.42 3k96 n GLY 115 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3k96 n SER 116 N 0.87 -2.73 -4.76 1.61 7.64 -0.93 -4.99 113.62 110.32 3k96 n SER 116 Ca 0.00 -0.83 -0.33 0.00 1.01 0.00 0.00 58.87 58.72 3k96 n SER 116 Cb 0.00 -3.82 -0.07 0.00 -1.01 0.00 0.00 64.21 59.31 3k96 n SER 116 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3k96 s ARG 117 N -6.36 3.02 0.58 1.43 0.52 -0.27 -4.90 118.95 112.97 3k96 s ARG 117 Ca 0.32 -0.50 -0.19 0.00 -0.52 0.00 0.00 55.73 54.84 3k96 s ARG 117 Cb -0.16 -2.83 -0.04 0.00 0.52 0.00 0.00 34.95 32.44 3k96 s ARG 117 CO 0.83 0.65 1.19 -0.51 0.02 0.00 0.00 175.30 177.48 3k96 s LEU 118 N -1.67 3.69 0.39 2.53 1.02 -1.26 -0.48 118.68 122.89 3k96 s LEU 118 Ca 0.22 2.33 0.06 0.00 0.02 0.00 0.00 54.13 56.76 3k96 s LEU 118 Cb -0.12 -4.59 0.80 0.00 0.02 0.00 0.00 46.19 42.30 3k96 s LEU 118 CO 0.13 -1.49 2.03 -0.07 0.02 0.00 0.00 176.35 176.97 3k96 h LEU 119 N 0.98 0.56 -2.21 1.79 3.38 -1.95 -1.97 115.31 115.89 3k96 h LEU 119 Ca -0.50 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.45 3k96 h LEU 119 Cb 1.29 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.90 3k96 h LEU 119 CO 0.56 0.39 -0.05 1.12 0.09 0.00 0.00 178.44 180.55 3k96 h HIS 120 N 0.65 0.00 -0.11 1.13 2.07 -1.96 -1.65 115.15 115.28 3k96 h HIS 120 Ca 0.21 0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 57.55 3k96 h HIS 120 Cb 0.03 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.00 3k96 h HIS 120 CO -0.00 0.05 -0.65 0.93 -3.07 0.00 0.00 177.93 175.19 3k96 h GLU 121 N 0.00 0.45 -0.26 5.12 5.08 -1.72 -0.57 114.58 122.68 3k96 h GLU 121 Ca -0.00 -0.33 -0.05 0.00 -1.00 0.00 0.00 59.36 57.99 3k96 h GLU 121 Cb 0.14 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 3k96 h GLU 121 CO 0.01 0.95 -0.02 0.28 -1.00 0.00 0.00 179.01 179.23 3k96 h VAL 122 N 0.32 1.26 -0.25 3.13 2.07 -1.35 -0.18 116.25 121.26 3k96 h VAL 122 Ca -0.02 -0.96 0.01 0.00 0.82 0.00 0.00 66.70 66.56 3k96 h VAL 122 Cb 1.21 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 32.34 3k96 h VAL 122 CO 0.11 0.30 0.13 0.58 0.02 0.00 0.00 177.57 178.72 3k96 h VAL 123 N 0.23 1.01 -0.59 2.57 2.07 -1.25 -1.93 116.25 118.37 3k96 h VAL 123 Ca 0.07 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 3k96 h VAL 123 Cb 0.45 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 3k96 h VAL 123 CO 0.02 0.05 0.27 0.00 0.02 0.00 0.00 177.57 177.93 3k96 h ALA 124 N 1.12 0.76 -0.15 1.67 0.00 -0.92 0.17 119.26 121.91 3k96 h ALA 124 Ca 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3k96 h ALA 124 Cb 0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3k96 h ALA 124 CO -0.06 0.34 0.04 1.15 0.00 0.00 0.00 179.25 180.73 3k96 h THR 125 N 0.81 1.19 0.20 0.00 2.02 -0.90 0.04 112.91 116.26 3k96 h THR 125 Ca 0.20 -0.59 -0.31 0.00 0.77 0.00 0.00 66.41 66.48 3k96 h THR 125 Cb 0.15 1.29 0.03 0.00 -1.74 0.00 0.00 68.15 67.88 3k96 h THR 125 CO -0.02 0.18 -1.38 -0.33 0.37 0.00 0.00 175.52 174.33 3k96 h GLU 126 N 0.06 0.46 -0.07 6.66 4.39 -1.26 -3.37 114.58 121.45 3k96 h GLU 126 Ca 0.05 -0.76 0.00 0.00 0.34 0.00 0.00 59.36 58.99 3k96 h GLU 126 Cb 0.24 0.28 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 3k96 h GLU 126 CO -0.00 1.36 0.00 1.28 -1.16 0.00 0.00 179.01 180.49 3k96 n LEU 127 N -3.66 2.09 0.00 1.33 4.77 0.60 -4.94 117.00 117.20 3k96 n LEU 127 Ca -0.14 -1.18 0.00 0.00 -0.03 0.00 0.00 56.01 54.66 3k96 n LEU 127 Cb 1.07 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 42.12 3k96 n LEU 127 CO 0.58 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 3k96 n GLY 128 N 0.59 -2.25 3.57 -0.72 0.00 0.00 -4.71 105.19 101.67 3k96 n GLY 128 Ca 0.07 -1.52 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 3k96 n GLY 128 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3k96 s GLN 129 N -0.53 3.39 0.22 1.61 -1.52 -1.26 -4.23 119.66 117.35 3k96 s GLN 129 Ca 0.00 0.08 0.05 0.00 -1.95 0.00 0.00 55.36 53.54 3k96 s GLN 129 Cb 0.00 -4.08 -0.05 0.00 -0.22 0.00 0.00 33.01 28.66 3k96 s GLN 129 CO 0.00 -1.87 -0.06 0.14 -0.25 0.00 0.00 175.29 173.25 3k96 s VAL 130 N 5.29 1.33 0.21 1.09 -7.23 -1.26 -5.10 120.40 114.73 3k96 s VAL 130 Ca 0.40 -2.09 -0.31 0.00 -1.81 0.00 0.00 61.98 58.17 3k96 s VAL 130 Cb -0.08 -2.22 -0.11 0.00 0.56 0.00 0.00 36.38 34.54 3k96 s VAL 130 CO 0.22 -0.45 1.62 -2.84 -0.31 0.00 0.00 175.10 173.33 3k96 s PRO 131 N -3.77 4.17 0.03 4.82 0.02 -1.26 -4.93 135.00 134.08 3k96 s PRO 131 Ca 0.25 2.49 0.04 0.00 0.02 0.00 0.00 61.00 63.80 3k96 s PRO 131 Cb 0.03 -3.10 -0.02 0.00 0.02 0.00 0.00 34.50 31.44 3k96 s PRO 131 CO 0.07 -0.65 -0.12 -1.64 -0.33 0.00 0.00 177.00 174.33 3k96 s MET 132 N 0.74 0.81 -0.05 5.54 -1.94 -1.26 -1.39 119.30 121.76 3k96 s MET 132 Ca 0.70 -0.68 -0.10 0.00 -1.71 0.00 0.00 55.69 53.90 3k96 s MET 132 Cb -0.47 -0.77 0.02 0.00 2.01 0.00 0.00 34.83 35.62 3k96 s MET 132 CO 0.35 0.19 0.23 0.00 -0.01 0.00 0.00 175.02 175.79 3k96 s ALA 133 N -0.83 -0.58 -0.09 3.03 0.00 -0.82 -1.70 121.76 120.78 3k96 s ALA 133 Ca -0.00 0.41 0.04 0.00 0.00 0.00 0.00 51.96 52.41 3k96 s ALA 133 Cb -0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.86 3k96 s ALA 133 CO 0.01 -0.17 -0.22 0.54 0.00 0.00 0.00 175.76 175.92 3k96 s VAL 134 N -0.56 2.31 -0.15 0.00 0.11 0.34 -1.37 120.40 121.08 3k96 s VAL 134 Ca -0.07 -0.95 -0.04 0.00 -2.93 0.00 0.00 61.98 57.99 3k96 s VAL 134 Cb -0.04 -1.89 -0.03 0.00 -1.53 0.00 0.00 36.38 32.89 3k96 s VAL 134 CO 0.01 0.56 -0.02 -0.63 -3.33 0.00 0.00 175.10 171.69 3k96 s ILE 135 N 0.10 4.06 -0.28 7.04 1.01 -0.52 -1.56 121.20 131.04 3k96 s ILE 135 Ca -0.10 -0.30 -0.22 0.00 0.00 0.00 0.00 60.65 60.03 3k96 s ILE 135 Cb -0.16 -2.78 0.11 0.00 0.01 0.00 0.00 42.46 39.64 3k96 s ILE 135 CO 0.06 0.50 0.92 -0.55 0.00 0.00 0.00 174.94 175.87 3k96 s SER 136 N 0.27 -0.58 0.00 3.58 0.15 -0.68 -4.43 113.70 112.01 3k96 s SER 136 Ca -0.02 1.04 0.00 0.00 0.70 0.00 0.00 55.95 57.67 3k96 s SER 136 Cb -0.14 1.12 0.00 0.00 -1.71 0.00 0.00 66.02 65.29 3k96 s SER 136 CO 0.02 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 174.90 3k96 n GLY 137 N 2.84 -1.59 3.58 9.45 0.00 -1.26 -0.84 105.19 117.37 3k96 n GLY 137 Ca -0.15 -1.07 -0.41 0.00 0.00 0.00 0.00 46.02 44.39 3k96 n GLY 137 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3k96 s PRO 138 N -1.40 3.16 -0.44 1.61 0.04 -1.25 -4.73 135.00 131.98 3k96 s PRO 138 Ca 0.00 0.78 0.07 0.00 0.04 0.00 0.00 61.00 61.89 3k96 s PRO 138 Cb 0.00 -4.20 0.24 0.00 0.04 0.00 0.00 34.50 30.58 3k96 s PRO 138 CO 0.00 -2.09 0.69 -1.13 0.04 0.00 0.00 177.00 174.51 3k96 n SER 139 N 10.52 -1.39 -4.68 6.66 3.41 -1.26 -4.50 113.62 122.38 3k96 n SER 139 Ca 0.17 -2.97 -0.45 0.00 -0.26 0.00 0.00 58.87 55.37 3k96 n SER 139 Cb 0.49 0.58 -0.04 0.00 -0.26 0.00 0.00 64.21 64.99 3k96 n SER 139 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3k96 n LEU 140 N 1.62 3.61 -0.14 1.04 4.77 -1.26 -4.86 117.00 121.79 3k96 n LEU 140 Ca 0.16 1.02 0.00 0.00 -0.03 0.00 0.00 56.01 57.16 3k96 n LEU 140 Cb 0.58 -1.48 0.27 0.00 -2.33 0.00 0.00 43.42 40.46 3k96 n LEU 140 CO 0.11 -0.02 1.13 0.00 -1.33 0.00 0.00 177.39 177.28 3k96 h ALA 141 N 7.65 1.43 -0.62 -1.18 0.00 -1.96 -2.67 119.26 121.91 3k96 h ALA 141 Ca -0.46 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.29 3k96 h ALA 141 Cb 1.24 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 3k96 h ALA 141 CO 0.93 0.47 0.14 1.79 0.00 0.00 0.00 179.25 182.57 3k96 h THR 142 N 0.84 1.25 -0.15 0.00 1.35 -1.89 -0.62 112.91 113.68 3k96 h THR 142 Ca 0.21 -0.92 -0.15 0.00 -0.55 0.00 0.00 66.41 65.00 3k96 h THR 142 Cb 0.03 0.62 -0.01 0.00 -1.73 0.00 0.00 68.15 67.07 3k96 h THR 142 CO -0.03 0.35 -0.55 -0.33 -0.25 0.00 0.00 175.52 174.70 3k96 h GLU 143 N 0.94 0.46 0.00 4.72 5.08 -1.88 -1.22 114.58 122.68 3k96 h GLU 143 Ca 0.20 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 3k96 h GLU 143 Cb 0.35 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.63 3k96 h GLU 143 CO 0.00 0.89 -0.00 0.28 -1.00 0.00 0.00 179.01 179.18 3k96 h VAL 144 N 0.35 1.20 -0.97 3.13 2.07 -1.22 -0.33 116.25 120.49 3k96 h VAL 144 Ca 0.01 -0.60 0.16 0.00 0.82 0.00 0.00 66.70 67.09 3k96 h VAL 144 Cb 1.08 1.60 -0.09 0.00 -1.52 0.00 0.00 31.29 32.36 3k96 h VAL 144 CO 0.10 0.15 0.61 0.00 0.02 0.00 0.00 177.57 178.45 3k96 h ALA 145 N 0.74 1.73 -0.00 1.67 0.00 -0.99 0.26 119.26 122.67 3k96 h ALA 145 Ca -0.00 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3k96 h ALA 145 Cb 0.26 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3k96 h ALA 145 CO 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.23 3k96 n ALA 146 N -2.38 2.61 -2.27 0.00 0.00 -0.47 -4.89 120.51 113.10 3k96 n ALA 146 Ca 0.20 -0.12 -0.16 0.00 0.00 0.00 0.00 53.44 53.37 3k96 n ALA 146 Cb 0.50 -1.30 -0.01 0.00 0.00 0.00 0.00 19.45 18.64 3k96 n ALA 146 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3k96 n ASN 147 N -0.79 -4.75 -4.83 0.00 5.15 0.93 -5.01 115.26 105.96 3k96 n ASN 147 Ca 0.14 -0.00 -0.33 0.00 -0.60 0.00 0.00 54.58 53.79 3k96 n ASN 147 Cb 0.07 -3.86 -0.06 0.00 -0.53 0.00 0.00 39.78 35.39 3k96 n ASN 147 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3k96 s LEU 148 N -4.54 3.85 0.29 1.20 1.43 -0.18 -4.92 118.68 115.82 3k96 s LEU 148 Ca 0.00 1.57 -0.30 0.00 -1.03 0.00 0.00 54.13 54.37 3k96 s LEU 148 Cb 0.00 -4.45 -0.11 0.00 0.03 0.00 0.00 46.19 41.66 3k96 s LEU 148 CO 0.00 -0.41 1.58 -2.84 0.23 0.00 0.00 176.35 174.91 3k96 s PRO 149 N -3.47 4.13 -0.02 1.29 0.02 -1.26 -4.66 135.00 131.03 3k96 s PRO 149 Ca 0.60 2.56 -0.06 0.00 0.02 0.00 0.00 61.00 64.12 3k96 s PRO 149 Cb -0.09 -3.03 0.01 0.00 0.02 0.00 0.00 34.50 31.40 3k96 s PRO 149 CO 0.20 -0.62 0.13 0.99 -0.33 0.00 0.00 177.00 177.37 3k96 s THR 150 N 0.00 0.04 -0.05 0.99 2.01 0.28 -5.02 115.64 113.90 3k96 s THR 150 Ca 0.63 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 62.28 3k96 s THR 150 Cb -0.47 -0.31 0.02 0.00 0.01 0.00 0.00 72.50 71.75 3k96 s THR 150 CO 0.48 -0.20 -0.06 0.00 -0.69 0.00 0.00 174.62 174.15 3k96 s ALA 151 N -0.66 0.75 0.21 7.40 0.00 -1.26 -0.52 121.76 127.69 3k96 s ALA 151 Ca -0.07 -0.10 0.03 0.00 0.00 0.00 0.00 51.96 51.81 3k96 s ALA 151 Cb -0.04 -0.43 -0.05 0.00 0.00 0.00 0.00 23.12 22.60 3k96 s ALA 151 CO 0.01 0.02 -0.01 0.14 0.00 0.00 0.00 175.76 175.92 3k96 s VAL 152 N 0.84 0.94 0.18 0.00 -7.23 -0.22 -4.00 120.40 110.91 3k96 s VAL 152 Ca -0.12 -2.02 0.04 0.00 -1.81 0.00 0.00 61.98 58.06 3k96 s VAL 152 Cb -0.15 -2.24 -0.03 0.00 0.56 0.00 0.00 36.38 34.52 3k96 s VAL 152 CO 0.01 -0.40 0.29 -0.44 -0.31 0.00 0.00 175.10 174.25 3k96 s SER 153 N -3.26 6.20 -0.11 4.85 0.01 -0.02 -1.12 113.70 120.27 3k96 s SER 153 Ca 0.26 0.09 -0.03 0.00 1.31 0.00 0.00 55.95 57.58 3k96 s SER 153 Cb 0.05 -1.82 0.05 0.00 0.21 0.00 0.00 66.02 64.51 3k96 s SER 153 CO 0.07 0.01 0.09 -0.22 0.41 0.00 0.00 173.24 173.60 3k96 s LEU 154 N -3.48 0.18 -0.08 2.44 2.96 -0.01 -1.69 118.68 119.00 3k96 s LEU 154 Ca 0.34 -0.18 -0.00 0.00 -0.22 0.00 0.00 54.13 54.07 3k96 s LEU 154 Cb -0.10 -0.10 -0.03 0.00 0.50 0.00 0.00 46.19 46.46 3k96 s LEU 154 CO 0.28 -0.29 -0.05 0.00 -1.32 0.00 0.00 176.35 174.96 3k96 s ALA 155 N 2.18 3.03 0.10 5.97 0.00 -0.60 -1.35 121.76 131.09 3k96 s ALA 155 Ca 0.04 -0.87 -0.06 0.00 0.00 0.00 0.00 51.96 51.07 3k96 s ALA 155 Cb -0.14 -1.31 -0.02 0.00 0.00 0.00 0.00 23.12 21.66 3k96 s ALA 155 CO -0.06 0.53 0.14 0.45 0.00 0.00 0.00 175.76 176.82 3k96 s SER 156 N -0.68 0.22 0.00 0.00 0.15 -1.26 -0.51 113.70 111.62 3k96 s SER 156 Ca 0.10 -0.86 0.21 0.00 0.70 0.00 0.00 55.95 56.10 3k96 s SER 156 Cb -0.11 0.32 0.48 0.00 -1.71 0.00 0.00 66.02 65.00 3k96 s SER 156 CO 0.02 -0.74 1.42 -0.46 1.20 0.00 0.00 173.24 174.68 3k96 n ASN 157 N -0.06 3.54 -3.63 5.45 6.94 -0.69 -4.90 115.26 121.92 3k96 n ASN 157 Ca -0.12 -1.98 -0.19 0.00 -0.02 0.00 0.00 54.58 52.28 3k96 n ASN 157 Cb 0.62 -0.33 -0.16 0.00 -2.36 0.00 0.00 39.78 37.56 3k96 n ASN 157 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 3k96 s ASN 158 N -1.23 1.15 0.22 0.53 3.84 -1.26 -4.92 114.94 113.27 3k96 s ASN 158 Ca 0.40 0.06 -0.08 0.00 0.21 0.00 0.00 52.86 53.45 3k96 s ASN 158 Cb 0.22 0.15 0.23 0.00 -0.55 0.00 0.00 41.25 41.31 3k96 s ASN 158 CO 0.30 -0.27 1.87 0.28 -2.79 0.00 0.00 177.10 176.49 3k96 h SER 159 N 8.38 0.86 -0.60 -4.21 0.02 -1.98 -0.94 113.55 115.07 3k96 h SER 159 Ca -0.14 -0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.73 3k96 h SER 159 Cb 1.13 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.45 3k96 h SER 159 CO 0.19 0.60 0.09 -0.61 -1.14 0.00 0.00 176.83 175.96 3k96 h GLN 160 N 1.01 0.99 -0.45 3.45 5.75 -1.99 -0.20 115.11 123.68 3k96 h GLN 160 Ca 0.32 -0.27 -0.03 0.00 -0.15 0.00 0.00 58.65 58.52 3k96 h GLN 160 Cb -0.00 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 28.41 3k96 h GLN 160 CO -0.11 0.94 0.15 0.35 -2.65 0.00 0.00 178.83 177.51 3k96 h PHE 161 N 0.90 0.71 -0.33 3.99 3.57 -1.85 0.73 116.94 124.66 3k96 h PHE 161 Ca 0.18 -0.07 0.02 0.00 3.53 0.00 0.00 57.97 61.63 3k96 h PHE 161 Cb 0.43 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 3k96 h PHE 161 CO 0.03 0.63 0.18 1.03 -2.23 0.00 0.00 178.31 177.95 3k96 h SER 162 N 0.59 0.28 -0.56 0.41 0.87 -0.97 0.53 113.55 114.70 3k96 h SER 162 Ca 0.15 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 3k96 h SER 162 Cb 0.24 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.13 3k96 h SER 162 CO -0.01 0.20 0.28 0.11 -0.53 0.00 0.00 176.83 176.89 3k96 h LYS 163 N 0.37 0.79 -0.36 2.24 1.57 -0.67 -0.52 116.57 119.99 3k96 h LYS 163 Ca 0.13 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 3k96 h LYS 163 Cb 0.02 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 3k96 h LYS 163 CO -0.08 0.64 0.15 -0.44 -0.57 0.00 0.00 179.45 179.15 3k96 h ASP 164 N 0.75 0.49 -0.55 0.86 3.32 -0.51 0.12 116.42 120.90 3k96 h ASP 164 Ca 0.19 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 57.03 3k96 h ASP 164 Cb 0.10 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 3k96 h ASP 164 CO -0.03 0.52 0.14 -0.07 -1.72 0.00 0.00 179.24 178.08 3k96 h LEU 165 N 0.44 0.83 -0.95 1.55 3.38 -0.69 -1.50 115.31 118.37 3k96 h LEU 165 Ca 0.12 -0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 3k96 h LEU 165 Cb 0.17 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 3k96 h LEU 165 CO -0.01 0.84 -0.03 0.40 0.09 0.00 0.00 178.44 179.73 3k96 h ILE 166 N 0.78 1.24 -0.73 1.22 2.04 -0.91 -1.17 117.51 119.99 3k96 h ILE 166 Ca 0.17 -1.01 -0.04 0.00 1.00 0.00 0.00 64.86 64.99 3k96 h ILE 166 Cb 0.33 0.94 -0.03 0.00 -0.74 0.00 0.00 36.82 37.32 3k96 h ILE 166 CO 0.00 0.35 0.31 -0.08 0.00 0.00 0.00 178.15 178.73 3k96 h GLU 167 N 0.68 1.06 -0.20 2.37 4.81 -0.23 0.17 114.58 123.24 3k96 h GLU 167 Ca 0.13 -0.17 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 3k96 h GLU 167 Cb 0.46 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 3k96 h GLU 167 CO 0.02 0.84 -0.13 0.00 -0.73 0.00 0.00 179.01 179.01 3k96 h ARG 168 N 1.04 0.45 0.12 1.92 3.08 -0.57 -3.38 114.38 117.04 3k96 h ARG 168 Ca 0.25 -0.21 -0.32 0.00 0.07 0.00 0.00 59.98 59.76 3k96 h ARG 168 Cb 0.16 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 3k96 h ARG 168 CO -0.03 0.76 -1.69 -0.07 -1.07 0.00 0.00 179.97 177.87 3k96 h LEU 169 N 0.14 0.40 -9.33 3.04 3.38 -1.13 -3.46 115.31 108.35 3k96 h LEU 169 Ca 0.04 -0.87 -0.53 0.00 0.09 0.00 0.00 57.88 56.60 3k96 h LEU 169 Cb 0.64 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 41.28 3k96 h LEU 169 CO 0.04 1.74 1.22 -2.28 0.09 0.00 0.00 178.44 179.24 3k96 s HIS 170 N -2.52 1.37 0.00 1.13 2.46 0.04 -4.77 115.29 113.01 3k96 s HIS 170 Ca -0.21 -0.34 0.00 0.00 0.47 0.00 0.00 55.06 54.98 3k96 s HIS 170 Cb 0.06 -4.19 0.00 0.00 -0.13 0.00 0.00 32.58 28.31 3k96 s HIS 170 CO 0.77 -5.29 0.00 0.41 -2.47 0.00 0.00 174.74 168.16 3k96 n GLY 171 N 4.53 4.08 0.09 1.59 0.00 0.11 -4.93 105.19 110.66 3k96 n GLY 171 Ca 0.20 -1.51 -0.11 0.00 0.00 0.00 0.00 46.02 44.60 3k96 n GLY 171 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 3k96 h GLN 172 N 0.00 0.20 -0.01 1.61 4.15 -2.01 -3.34 115.11 115.72 3k96 h GLN 172 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 3k96 h GLN 172 Cb 0.00 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 27.65 3k96 h GLN 172 CO 0.00 0.25 -0.55 0.54 -1.93 0.00 0.00 178.83 177.14 3k96 n ARG 173 N -4.92 1.74 -3.97 1.69 1.74 -1.26 -4.78 116.66 106.89 3k96 n ARG 173 Ca -0.05 -0.40 -0.31 0.00 -0.77 0.00 0.00 57.85 56.33 3k96 n ARG 173 Cb 0.09 -1.26 -0.15 0.00 -1.02 0.00 0.00 32.46 30.11 3k96 n ARG 173 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3k96 s PHE 174 N -2.22 2.65 -0.04 -1.55 5.36 -1.25 -0.55 117.98 120.37 3k96 s PHE 174 Ca 0.10 -1.93 0.05 0.00 -0.96 0.00 0.00 56.93 54.18 3k96 s PHE 174 Cb 0.13 -1.69 -0.02 0.00 -0.34 0.00 0.00 43.02 41.09 3k96 s PHE 174 CO 0.54 -0.81 -0.18 1.03 -1.46 0.00 0.00 175.22 174.34 3k96 s ARG 175 N 1.31 2.42 -0.13 10.12 0.52 0.32 0.04 118.95 133.56 3k96 s ARG 175 Ca -0.06 -0.76 0.00 0.00 -0.52 0.00 0.00 55.73 54.39 3k96 s ARG 175 Cb -0.19 -2.29 0.02 0.00 0.52 0.00 0.00 34.95 33.01 3k96 s ARG 175 CO -0.06 0.59 -0.13 0.08 0.02 0.00 0.00 175.30 175.80 3k96 s VAL 176 N -0.66 1.42 -0.11 3.52 1.01 -1.26 -1.06 120.40 123.26 3k96 s VAL 176 Ca 0.10 -0.55 -0.01 0.00 0.00 0.00 0.00 61.98 61.53 3k96 s VAL 176 Cb -0.11 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.90 3k96 s VAL 176 CO 0.00 0.43 -0.08 -0.31 0.00 0.00 0.00 175.10 175.15 3k96 s TYR 177 N 1.48 2.92 0.42 5.22 2.02 -0.27 -4.94 117.35 124.20 3k96 s TYR 177 Ca 0.04 -0.27 -0.26 0.00 -0.37 0.00 0.00 57.07 56.20 3k96 s TYR 177 Cb -0.13 -1.83 -0.09 0.00 -0.40 0.00 0.00 41.96 39.51 3k96 s TYR 177 CO -0.09 0.05 1.37 0.15 -1.57 0.00 0.00 175.55 175.47 3k96 s LYS 178 N -0.08 3.87 -0.05 -0.62 1.02 -1.26 -0.83 119.74 121.79 3k96 s LYS 178 Ca 0.00 2.31 -0.02 0.00 0.02 0.00 0.00 55.97 58.29 3k96 s LYS 178 Cb -0.13 -2.74 0.04 0.00 -0.52 0.00 0.00 37.83 34.47 3k96 s LYS 178 CO 0.03 -0.63 0.11 1.21 -0.92 0.00 0.00 175.35 175.15 3k96 s ASN 179 N -0.57 -0.05 0.00 2.83 3.84 -0.46 -4.79 114.94 115.74 3k96 s ASN 179 Ca 0.58 0.21 0.14 0.00 0.21 0.00 0.00 52.86 54.00 3k96 s ASN 179 Cb -0.41 0.10 0.40 0.00 -0.55 0.00 0.00 41.25 40.79 3k96 s ASN 179 CO 0.54 -0.14 1.34 0.47 -2.79 0.00 0.00 177.10 176.51 3k96 n ASP 180 N 4.18 2.40 -4.02 -4.21 8.00 -1.26 -3.80 116.55 117.83 3k96 n ASP 180 Ca -0.27 -1.99 -0.33 0.00 0.71 0.00 0.00 54.79 52.90 3k96 n ASP 180 Cb 0.51 -0.30 -0.08 0.00 -0.02 0.00 0.00 41.12 41.23 3k96 n ASP 180 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3k96 n ASP 181 N 0.81 3.87 -0.11 -2.24 2.03 -1.26 -4.93 116.55 114.73 3k96 n ASP 181 Ca 0.15 -3.17 -0.09 0.00 0.52 0.00 0.00 54.79 52.20 3k96 n ASP 181 Cb 0.38 -0.95 -0.01 0.00 -0.72 0.00 0.00 41.12 39.81 3k96 n ASP 181 CO 0.00 0.00 0.00 -0.03 -1.92 0.00 0.00 177.20 175.25 3k96 h MET 182 N 5.72 0.49 -0.36 -0.67 1.85 -1.91 -1.99 114.93 118.06 3k96 h MET 182 Ca 0.16 -0.06 0.07 0.00 -0.61 0.00 0.00 59.70 59.25 3k96 h MET 182 Cb 0.78 -0.09 -0.06 0.00 0.43 0.00 0.00 31.60 32.66 3k96 h MET 182 CO 0.82 0.42 -0.00 0.82 -0.40 0.00 0.00 176.91 178.57 3k96 h ILE 183 N 0.44 0.73 -0.31 1.77 2.04 -1.92 -0.43 117.51 119.83 3k96 h ILE 183 Ca 0.12 -0.03 -0.09 0.00 1.00 0.00 0.00 64.86 65.86 3k96 h ILE 183 Cb 0.08 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 3k96 h ILE 183 CO -0.02 0.02 -0.19 1.23 0.00 0.00 0.00 178.15 179.19 3k96 h GLY 184 N 0.10 0.61 0.94 5.37 0.00 -1.84 -1.26 103.07 106.99 3k96 h GLY 184 Ca 0.18 -0.47 -0.07 0.00 0.00 0.00 0.00 47.33 46.96 3k96 h GLY 184 CO -0.30 0.43 -0.07 -2.08 0.00 0.00 0.00 176.54 174.53 3k96 h VAL 185 N 0.51 1.27 -0.18 4.60 2.07 -0.74 -1.36 116.25 122.42 3k96 h VAL 185 Ca 0.08 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 3k96 h VAL 185 Cb 0.61 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 3k96 h VAL 185 CO 0.04 0.37 0.06 -0.33 0.02 0.00 0.00 177.57 177.73 3k96 h GLU 186 N 0.48 0.28 -0.46 1.57 5.08 -0.89 -1.78 114.58 118.86 3k96 h GLU 186 Ca 0.09 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.36 3k96 h GLU 186 Cb 0.56 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 3k96 h GLU 186 CO 0.03 0.38 0.16 -0.07 -1.00 0.00 0.00 179.01 178.52 3k96 h LEU 187 N 0.13 0.65 -0.70 1.33 3.38 -1.18 -1.05 115.31 117.86 3k96 h LEU 187 Ca 0.06 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.83 3k96 h LEU 187 Cb 0.21 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3k96 h LEU 187 CO -0.00 0.66 0.39 0.00 0.09 0.00 0.00 178.44 179.58 3k96 h GLY 189 N 0.96 0.11 1.83 0.00 0.00 -1.05 -2.35 103.07 102.57 3k96 h GLY 189 Ca 0.25 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.52 3k96 h GLY 189 CO -0.04 0.05 -0.11 -1.14 0.00 0.00 0.00 176.54 175.30 3k96 n SER 190 N -4.36 0.49 -0.04 0.19 3.41 -0.42 -4.00 113.62 108.89 3k96 n SER 190 Ca -0.02 0.44 -0.00 0.00 -0.26 0.00 0.00 58.87 59.03 3k96 n SER 190 Cb 0.21 -0.51 -0.11 0.00 -0.26 0.00 0.00 64.21 63.54 3k96 n SER 190 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 3k96 n VAL 191 N -1.92 0.49 -0.24 -3.33 0.31 -1.00 -4.69 118.33 107.95 3k96 n VAL 191 Ca 0.06 -0.46 0.02 0.00 -0.01 0.00 0.00 64.34 63.95 3k96 n VAL 191 Cb 0.39 -0.26 0.25 0.00 -0.91 0.00 0.00 33.84 33.31 3k96 n VAL 191 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 3k96 h LYS 192 N 0.00 0.98 -0.16 5.55 5.09 -1.57 -1.79 116.57 124.67 3k96 h LYS 192 Ca -0.19 -0.06 -0.08 0.00 0.09 0.00 0.00 60.65 60.41 3k96 h LYS 192 Cb 1.28 -0.22 -0.01 0.00 0.10 0.00 0.00 32.23 33.38 3k96 h LYS 192 CO 0.01 0.65 -0.24 -0.91 -2.09 0.00 0.00 179.45 176.87 3k96 h ASN 193 N 1.01 0.28 -0.34 7.07 2.35 -1.84 -1.41 115.58 122.71 3k96 h ASN 193 Ca 0.30 -0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 55.94 3k96 h ASN 193 Cb -0.02 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 3k96 h ASN 193 CO -0.08 0.53 0.09 0.40 -1.65 0.00 0.00 177.43 176.72 3k96 h ILE 194 N 0.26 1.21 -0.26 2.81 2.04 -1.58 -1.80 117.51 120.19 3k96 h ILE 194 Ca 0.04 -0.71 -0.07 0.00 1.00 0.00 0.00 64.86 65.13 3k96 h ILE 194 Cb 0.57 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 3k96 h ILE 194 CO 0.04 0.24 -0.12 -0.07 0.00 0.00 0.00 178.15 178.24 3k96 h LEU 195 N 0.40 0.42 -1.08 1.44 3.38 -1.11 -2.14 115.31 116.61 3k96 h LEU 195 Ca 0.11 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 3k96 h LEU 195 Cb 0.27 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3k96 h LEU 195 CO -0.00 0.58 -0.46 0.00 0.09 0.00 0.00 178.44 178.65 3k96 h ALA 196 N 1.47 1.23 -0.28 1.53 0.00 -0.90 -1.24 119.26 121.08 3k96 h ALA 196 Ca 0.08 -0.42 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 3k96 h ALA 196 Cb 0.46 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3k96 h ALA 196 CO 0.03 0.57 -0.05 0.82 0.00 0.00 0.00 179.25 180.63 3k96 h ILE 197 N 0.00 1.27 -0.35 0.00 2.04 -0.69 0.39 117.51 120.17 3k96 h ILE 197 Ca -0.00 -1.04 0.01 0.00 1.00 0.00 0.00 64.86 64.83 3k96 h ILE 197 Cb 0.82 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 3k96 h ILE 197 CO 0.06 0.33 0.21 0.00 0.00 0.00 0.00 178.15 178.75 3k96 h ALA 198 N 0.79 0.44 -0.25 1.87 0.00 -1.08 0.55 119.26 121.59 3k96 h ALA 198 Ca 0.07 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 3k96 h ALA 198 Cb 0.51 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3k96 h ALA 198 CO 0.02 -0.14 -0.41 1.79 0.00 0.00 0.00 179.25 180.51 3k96 h THR 199 N 0.43 1.30 -0.63 0.00 1.35 -1.23 -2.14 112.91 111.98 3k96 h THR 199 Ca 0.14 -1.58 0.04 0.00 -0.55 0.00 0.00 66.41 64.45 3k96 h THR 199 Cb -0.00 1.55 -0.04 0.00 -1.73 0.00 0.00 68.15 67.92 3k96 h THR 199 CO -0.06 0.50 0.38 1.23 -0.25 0.00 0.00 175.52 177.32 3k96 h GLY 200 N 1.04 0.91 0.85 5.82 0.00 -0.37 0.11 103.07 111.43 3k96 h GLY 200 Ca 0.04 -0.28 0.02 0.00 0.00 0.00 0.00 47.33 47.11 3k96 h GLY 200 CO 0.08 0.22 0.12 -2.22 0.00 0.00 0.00 176.54 174.74 3k96 h ILE 201 N 0.73 0.97 -0.28 2.60 2.04 -0.56 0.20 117.51 123.21 3k96 h ILE 201 Ca 0.26 -0.09 0.04 0.00 1.00 0.00 0.00 64.86 66.08 3k96 h ILE 201 Cb 0.07 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 36.80 3k96 h ILE 201 CO -0.13 0.05 0.02 -1.28 0.00 0.00 0.00 178.15 176.81 3k96 h SER 202 N 0.26 -0.06 -0.85 1.72 0.87 -1.01 -0.51 113.55 113.97 3k96 h SER 202 Ca 0.11 0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 3k96 h SER 202 Cb 0.05 0.09 -0.04 0.00 -0.44 0.00 0.00 62.40 62.06 3k96 h SER 202 CO -0.09 0.00 0.45 0.44 -0.53 0.00 0.00 176.83 177.10 3k96 h ASP 203 N 0.11 1.08 -0.34 6.23 3.32 -0.58 -1.50 116.42 124.73 3k96 h ASP 203 Ca 0.13 -0.10 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 3k96 h ASP 203 Cb 0.16 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 3k96 h ASP 203 CO -0.20 0.88 0.14 1.23 -1.72 0.00 0.00 179.24 179.57 3k96 h GLY 204 N 1.21 0.61 0.99 2.75 0.00 0.12 0.19 103.07 108.94 3k96 h GLY 204 Ca 0.30 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3k96 h GLY 204 CO -0.04 0.29 -0.00 1.04 0.00 0.00 0.00 176.54 177.82 3k96 n LEU 205 N -4.36 0.07 -3.67 3.11 4.77 -0.27 -4.30 117.00 112.34 3k96 n LEU 205 Ca 0.03 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.76 3k96 n LEU 205 Cb 0.16 -0.03 0.07 0.00 -2.33 0.00 0.00 43.42 41.29 3k96 n LEU 205 CO 0.37 0.01 0.21 0.29 -1.33 0.00 0.00 177.39 176.95 3k96 n LYS 206 N -0.98 -7.39 0.20 3.23 5.02 0.05 -4.89 118.16 113.41 3k96 n LYS 206 Ca 0.23 0.78 0.14 0.00 -2.02 0.00 0.00 58.31 57.43 3k96 n LYS 206 Cb 0.13 -5.79 0.38 0.00 -0.02 0.00 0.00 35.03 29.73 3k96 n LYS 206 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 3k96 h LEU 207 N -2.55 0.00 0.00 -0.35 3.38 -1.51 -3.50 115.31 110.79 3k96 h LEU 207 Ca -0.57 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.40 3k96 h LEU 207 Cb 1.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.12 3k96 h LEU 207 CO 0.58 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.72 3k96 n GLY 208 N 0.76 2.02 0.31 0.83 0.00 -1.26 -4.46 105.19 103.38 3k96 n GLY 208 Ca 0.03 -1.98 -0.04 0.00 0.00 0.00 0.00 46.02 44.03 3k96 n GLY 208 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3k96 h SER 209 N 0.00 0.83 -0.12 1.61 0.02 -1.99 -2.20 113.55 111.71 3k96 h SER 209 Ca 0.00 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.79 3k96 h SER 209 Cb 0.00 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 3k96 h SER 209 CO 0.00 0.82 0.07 0.78 -1.14 0.00 0.00 176.83 177.35 3k96 h ASN 210 N 0.85 0.15 -0.56 3.07 2.35 -2.00 -1.20 115.58 118.24 3k96 h ASN 210 Ca 0.18 -0.08 0.01 0.00 -0.55 0.00 0.00 56.30 55.86 3k96 h ASN 210 Cb 0.32 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.63 3k96 h ASN 210 CO 0.00 0.18 0.37 0.00 -1.65 0.00 0.00 177.43 176.33 3k96 h ALA 211 N 0.97 0.71 -0.46 -0.83 0.00 -1.75 -1.57 119.26 116.33 3k96 h ALA 211 Ca 0.04 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3k96 h ALA 211 Cb 0.07 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3k96 h ALA 211 CO -0.01 0.14 0.28 -0.09 0.00 0.00 0.00 179.25 179.57 3k96 h ARG 212 N 0.75 0.54 -0.74 0.00 2.43 -1.20 -0.68 114.38 115.48 3k96 h ARG 212 Ca 0.21 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 3k96 h ARG 212 Cb -0.08 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.32 3k96 h ARG 212 CO -0.05 0.36 0.42 0.00 -1.51 0.00 0.00 179.97 179.19 3k96 h ALA 213 N 1.20 0.95 -0.37 2.80 0.00 -0.94 0.48 119.26 123.38 3k96 h ALA 213 Ca 0.18 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3k96 h ALA 213 Cb 0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3k96 h ALA 213 CO -0.08 0.44 0.20 0.00 0.00 0.00 0.00 179.25 179.81 3k96 h ALA 214 N 1.22 0.47 -0.90 0.00 0.00 -0.96 -1.92 119.26 117.17 3k96 h ALA 214 Ca 0.26 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3k96 h ALA 214 Cb 0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3k96 h ALA 214 CO -0.04 0.01 0.51 -0.07 0.00 0.00 0.00 179.25 179.66 3k96 h LEU 215 N 0.47 1.10 -0.57 0.00 3.38 -0.50 -1.12 115.31 118.07 3k96 h LEU 215 Ca 0.13 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.03 3k96 h LEU 215 Cb 0.07 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 3k96 h LEU 215 CO -0.02 0.87 0.36 0.40 0.09 0.00 0.00 178.44 180.14 3k96 h ILE 216 N 1.25 1.11 -0.44 1.22 2.04 -0.64 0.25 117.51 122.30 3k96 h ILE 216 Ca 0.32 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.91 3k96 h ILE 216 Cb -0.01 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.37 3k96 h ILE 216 CO -0.05 0.13 0.19 0.71 0.00 0.00 0.00 178.15 179.13 3k96 h THR 217 N 0.73 1.19 -0.50 -0.27 1.35 -0.82 -0.84 112.91 113.75 3k96 h THR 217 Ca 0.22 -0.57 -0.06 0.00 -0.55 0.00 0.00 66.41 65.45 3k96 h THR 217 Cb -0.05 0.75 -0.02 0.00 -1.73 0.00 0.00 68.15 67.10 3k96 h THR 217 CO -0.06 0.21 0.06 0.03 -0.25 0.00 0.00 175.52 175.51 3k96 h ARG 218 N 0.57 0.80 -0.05 4.72 3.08 -0.93 -2.51 114.38 120.06 3k96 h ARG 218 Ca 0.15 -0.19 0.02 0.00 0.07 0.00 0.00 59.98 60.03 3k96 h ARG 218 Cb 0.15 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 3k96 h ARG 218 CO -0.02 0.77 -0.07 0.78 -1.07 0.00 0.00 179.97 180.36 3k96 h GLY 219 N 0.97 -0.04 1.60 0.04 0.00 0.11 -2.45 103.07 103.30 3k96 h GLY 219 Ca 0.16 0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.57 3k96 h GLY 219 CO 0.01 -0.08 0.24 -2.00 0.00 0.00 0.00 176.54 174.70 3k96 h LEU 220 N -0.11 0.47 -0.14 3.11 5.85 -0.95 -1.13 115.31 122.42 3k96 h LEU 220 Ca 0.05 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3k96 h LEU 220 Cb 0.17 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3k96 h LEU 220 CO -0.12 0.37 0.09 0.74 -0.34 0.00 0.00 178.44 179.18 3k96 h THR 221 N 0.55 1.03 -0.11 1.05 2.02 -1.02 0.13 112.91 116.57 3k96 h THR 221 Ca 0.15 -0.06 -0.14 0.00 0.77 0.00 0.00 66.41 67.12 3k96 h THR 221 Cb -0.02 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 3k96 h THR 221 CO -0.03 0.03 -0.55 1.05 0.37 0.00 0.00 175.52 176.40 3k96 h GLU 222 N 0.19 0.33 -0.63 6.66 4.11 -0.95 -1.01 114.58 123.27 3k96 h GLU 222 Ca 0.05 -0.20 0.03 0.00 0.07 0.00 0.00 59.36 59.30 3k96 h GLU 222 Cb -0.02 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 3k96 h GLU 222 CO -0.01 0.79 0.39 1.98 0.07 0.00 0.00 179.01 182.23 3k96 h MET 223 N 0.25 0.75 -0.72 1.06 4.05 -1.03 -1.80 114.93 117.49 3k96 h MET 223 Ca 0.00 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.37 3k96 h MET 223 Cb 1.04 -0.17 -0.03 0.00 -0.80 0.00 0.00 31.60 31.64 3k96 h MET 223 CO 0.09 0.49 0.41 0.78 0.23 0.00 0.00 176.91 178.92 3k96 h GLY 224 N 0.77 1.07 0.98 1.39 0.00 -0.10 -1.25 103.07 105.92 3k96 h GLY 224 Ca 0.25 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 3k96 h GLY 224 CO -0.10 0.45 0.22 -0.09 0.00 0.00 0.00 176.54 177.02 3k96 h ARG 225 N 0.99 0.50 -0.31 4.80 2.43 -0.79 -0.90 114.38 121.11 3k96 h ARG 225 Ca 0.26 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 3k96 h ARG 225 Cb 0.01 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 3k96 h ARG 225 CO -0.04 0.39 0.20 1.25 -1.51 0.00 0.00 179.97 180.25 3k96 h LEU 226 N 0.48 0.35 -0.37 3.80 5.85 -0.90 -1.92 115.31 122.60 3k96 h LEU 226 Ca 0.13 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.89 3k96 h LEU 226 Cb 0.01 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 3k96 h LEU 226 CO -0.02 0.25 0.12 0.58 -0.34 0.00 0.00 178.44 179.03 3k96 h VAL 227 N 0.42 0.88 -0.41 1.05 2.07 -1.04 -2.83 116.25 116.38 3k96 h VAL 227 Ca 0.11 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 3k96 h VAL 227 Cb -0.04 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 3k96 h VAL 227 CO -0.03 0.05 0.09 0.77 0.02 0.00 0.00 177.57 178.47 3k96 h SER 228 N 0.27 0.63 -0.70 0.57 4.64 -0.86 1.00 113.55 119.10 3k96 h SER 228 Ca 0.17 -0.24 0.07 0.00 -0.47 0.00 0.00 61.79 61.32 3k96 h SER 228 Cb 0.16 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 62.04 3k96 h SER 228 CO -0.18 0.71 0.46 0.58 -0.87 0.00 0.00 176.83 177.53 3k96 h VAL 229 N 0.52 1.00 -0.09 0.95 2.07 -1.20 -2.57 116.25 116.94 3k96 h VAL 229 Ca 0.13 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.41 3k96 h VAL 229 Cb 0.33 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 30.35 3k96 h VAL 229 CO 0.00 0.13 0.00 0.49 0.02 0.00 0.00 177.57 178.21 3k96 n PHE 230 N -4.48 0.09 -0.53 1.57 3.72 -1.08 -4.96 117.46 111.79 3k96 n PHE 230 Ca 0.10 -0.05 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 3k96 n PHE 230 Cb 0.25 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.79 3k96 n PHE 230 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3k96 n GLY 231 N 1.26 0.74 3.93 1.37 0.00 -0.93 -5.00 105.19 106.56 3k96 n GLY 231 Ca 0.17 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 3k96 n GLY 231 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k96 s GLY 232 N -2.49 1.76 -0.08 -0.02 0.00 0.30 -4.80 107.32 101.99 3k96 s GLY 232 Ca 0.00 -1.16 0.02 0.00 0.00 0.00 0.00 44.72 43.58 3k96 s GLY 232 CO 0.00 -0.43 -0.11 0.54 0.00 0.00 0.00 173.10 173.10 3k96 s LYS 233 N -5.82 2.83 0.61 2.90 -0.14 -1.26 -4.60 119.74 114.26 3k96 s LYS 233 Ca 0.72 -0.64 0.37 0.00 -1.36 0.00 0.00 55.97 55.06 3k96 s LYS 233 Cb -0.05 -2.52 2.00 0.00 -1.68 0.00 0.00 37.83 35.58 3k96 s LYS 233 CO 0.52 0.52 2.25 1.96 -0.76 0.00 0.00 175.35 179.84 3k96 h GLN 234 N 5.69 0.00 0.00 1.68 1.08 -1.96 0.11 115.11 121.71 3k96 h GLN 234 Ca -0.42 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 56.73 3k96 h GLN 234 Cb 1.17 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.60 3k96 h GLN 234 CO 0.53 0.02 -0.24 0.93 -0.95 0.00 0.00 178.83 179.12 3k96 h GLU 235 N 0.00 0.00 -0.23 1.46 3.07 -1.99 -1.98 114.58 114.91 3k96 h GLU 235 Ca -0.00 0.00 -0.18 0.00 -0.50 0.00 0.00 59.36 58.68 3k96 h GLU 235 Cb 0.12 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.03 3k96 h GLU 235 CO 0.00 0.24 -0.56 1.15 -1.40 0.00 0.00 179.01 178.44 3k96 h THR 236 N 0.00 1.30 -0.80 1.13 2.02 -1.37 -3.05 112.91 112.13 3k96 h THR 236 Ca -0.00 -1.78 0.09 0.00 0.77 0.00 0.00 66.41 65.49 3k96 h THR 236 Cb 0.44 1.71 -0.07 0.00 -1.74 0.00 0.00 68.15 68.49 3k96 h THR 236 CO 0.03 0.57 0.45 0.25 0.37 0.00 0.00 175.52 177.19 3k96 h LEU 237 N 0.55 0.64 -1.64 2.58 5.85 -1.34 -0.86 115.31 121.09 3k96 h LEU 237 Ca 0.01 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.78 3k96 h LEU 237 Cb 1.14 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 42.09 3k96 h LEU 237 CO 0.11 0.37 0.00 0.35 -0.34 0.00 0.00 178.44 178.93 3k96 n THR 238 N -4.76 0.57 -2.61 1.05 -2.24 -1.14 -0.26 114.28 104.89 3k96 n THR 238 Ca 0.13 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 3k96 n THR 238 Cb 0.27 0.33 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 3k96 n THR 238 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3k96 n GLY 239 N 1.22 1.96 0.36 3.38 0.00 -0.34 -4.67 105.19 107.11 3k96 n GLY 239 Ca 0.15 -2.09 -0.02 0.00 0.00 0.00 0.00 46.02 44.06 3k96 n GLY 239 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3k96 h LEU 240 N 0.00 1.07 -0.58 0.99 3.38 -1.91 -0.73 115.31 117.53 3k96 h LEU 240 Ca 0.00 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3k96 h LEU 240 Cb 0.00 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 3k96 h LEU 240 CO 0.00 0.77 -0.04 0.00 0.09 0.00 0.00 178.44 179.26 3k96 h ALA 241 N 1.35 0.98 -3.00 1.53 0.00 -1.78 -0.21 119.26 118.14 3k96 h ALA 241 Ca 0.35 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3k96 h ALA 241 Cb -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3k96 h ALA 241 CO -0.08 0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.62 3k96 n GLY 242 N 0.67 0.04 0.27 0.00 0.00 -1.06 -4.19 105.19 100.93 3k96 n GLY 242 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.10 3k96 n GLY 242 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3k96 h LEU 243 N 0.00 -0.19 0.24 0.99 5.85 -0.05 -0.36 115.31 121.79 3k96 h LEU 243 Ca 0.00 0.18 0.01 0.00 0.84 0.00 0.00 57.88 58.91 3k96 h LEU 243 Cb 0.00 0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 3k96 h LEU 243 CO 0.00 -0.13 -0.36 1.23 -0.34 0.00 0.00 178.44 178.84 3k96 h GLY 244 N 0.17 -0.78 1.53 3.75 0.00 -1.11 -0.29 103.07 106.34 3k96 h GLY 244 Ca 0.42 0.43 -0.11 0.00 0.00 0.00 0.00 47.33 48.07 3k96 h GLY 244 CO -0.60 -0.28 -0.31 -1.80 0.00 0.00 0.00 176.54 173.54 3k96 h ASP 245 N -0.67 0.55 -0.05 0.19 3.58 -0.76 -2.70 116.42 116.56 3k96 h ASP 245 Ca 0.00 -0.21 -0.00 0.00 0.42 0.00 0.00 57.03 57.24 3k96 h ASP 245 Cb 0.65 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.55 3k96 h ASP 245 CO -0.14 0.83 0.02 0.25 -2.88 0.00 0.00 179.24 177.32 3k96 h LEU 246 N 0.46 0.06 -0.37 2.28 5.85 -0.74 -1.41 115.31 121.45 3k96 h LEU 246 Ca 0.06 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.63 3k96 h LEU 246 Cb 0.77 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 3k96 h LEU 246 CO 0.06 0.20 0.23 0.58 -0.34 0.00 0.00 178.44 179.17 3k96 h VAL 247 N -0.08 1.06 0.43 1.05 2.07 -0.95 -1.19 116.25 118.63 3k96 h VAL 247 Ca 0.02 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 3k96 h VAL 247 Cb 0.16 0.56 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 3k96 h VAL 247 CO -0.00 0.08 -0.24 0.25 0.02 0.00 0.00 177.57 177.69 3k96 h LEU 248 N 0.46 -0.57 -1.23 2.57 5.85 -1.45 -2.12 115.31 118.82 3k96 h LEU 248 Ca 0.14 0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.82 3k96 h LEU 248 Cb -0.02 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 3k96 h LEU 248 CO -0.05 -0.39 -0.27 0.74 -0.34 0.00 0.00 178.44 178.13 3k96 h THR 249 N -0.62 1.24 0.00 1.05 2.02 -1.11 -1.30 112.91 114.18 3k96 h THR 249 Ca -0.05 -1.11 0.00 0.00 0.77 0.00 0.00 66.41 66.02 3k96 h THR 249 Cb 0.49 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 3k96 h THR 249 CO 0.08 0.33 -0.28 0.00 0.37 0.00 0.00 175.52 176.02 3k96 n THR 251 N -2.30 0.00 -3.09 0.00 -2.24 -0.80 -4.78 114.28 101.07 3k96 n THR 251 Ca 0.04 -0.17 -0.39 0.00 -2.27 0.00 0.00 64.05 61.26 3k96 n THR 251 Cb 0.45 0.55 -0.06 0.00 -2.10 0.00 0.00 70.33 69.17 3k96 n THR 251 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3k96 s ASP 252 N -2.22 7.24 0.39 3.42 2.15 -0.52 -4.95 116.67 122.19 3k96 s ASP 252 Ca -0.01 1.49 0.09 0.00 0.43 0.00 0.00 52.55 54.55 3k96 s ASP 252 Cb 0.03 -2.44 0.86 0.00 -0.30 0.00 0.00 42.92 41.06 3k96 s ASP 252 CO 0.17 0.21 1.98 -1.13 -0.17 0.00 0.00 175.17 176.23 3k96 h ASN 253 N 4.27 0.54 0.44 -0.34 -1.24 -1.96 -1.20 115.58 116.09 3k96 h ASN 253 Ca -0.48 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.53 3k96 h ASN 253 Cb 1.21 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 40.15 3k96 h ASN 253 CO 0.65 0.34 0.00 0.00 -1.29 0.00 0.00 177.43 177.13 3k96 n GLN 254 N -4.48 0.48 -2.37 6.67 6.02 -1.26 -4.73 117.38 117.72 3k96 n GLN 254 Ca 0.09 0.02 -0.43 0.00 -0.01 0.00 0.00 57.00 56.67 3k96 n GLN 254 Cb 0.26 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.00 3k96 n GLN 254 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3k96 s SER 255 N -2.48 6.39 0.30 1.08 0.15 -0.45 -4.91 113.70 113.78 3k96 s SER 255 Ca 0.29 0.86 0.05 0.00 0.70 0.00 0.00 55.95 57.85 3k96 s SER 255 Cb 0.19 -2.54 0.47 0.00 -1.71 0.00 0.00 66.02 62.43 3k96 s SER 255 CO 0.41 -1.38 1.73 0.03 1.20 0.00 0.00 173.24 175.23 3k96 h ARG 256 N 10.47 0.33 -0.35 5.44 3.08 -1.87 -0.10 114.38 131.38 3k96 h ARG 256 Ca -0.27 -0.14 -0.12 0.00 0.07 0.00 0.00 59.98 59.52 3k96 h ARG 256 Cb 1.10 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 3k96 h ARG 256 CO 1.08 0.62 -0.27 -0.91 -1.07 0.00 0.00 179.97 179.43 3k96 h ASN 257 N 0.29 0.74 -0.29 7.04 2.35 -1.91 -0.72 115.58 123.08 3k96 h ASN 257 Ca 0.04 -0.28 -0.05 0.00 -0.55 0.00 0.00 56.30 55.46 3k96 h ASN 257 Cb 0.71 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 3k96 h ASN 257 CO 0.05 0.97 -0.00 -0.09 -1.65 0.00 0.00 177.43 176.71 3k96 h ARG 258 N 0.62 0.51 -0.85 0.81 2.43 -1.62 -1.69 114.38 114.59 3k96 h ARG 258 Ca 0.08 -0.16 0.09 0.00 -0.81 0.00 0.00 59.98 59.18 3k96 h ARG 258 Cb 0.77 -0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 30.20 3k96 h ARG 258 CO 0.06 0.66 0.50 -0.09 -1.51 0.00 0.00 179.97 179.59 3k96 h ARG 259 N 0.30 0.81 -0.23 0.20 2.43 -0.76 0.17 114.38 117.29 3k96 h ARG 259 Ca 0.08 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.19 3k96 h ARG 259 Cb 0.43 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 3k96 h ARG 259 CO 0.01 0.54 0.11 0.35 -1.51 0.00 0.00 179.97 179.47 3k96 h PHE 260 N 0.83 0.34 -0.69 2.20 3.57 -1.00 -1.49 116.94 120.71 3k96 h PHE 260 Ca 0.40 -0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.92 3k96 h PHE 260 Cb 0.35 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.94 3k96 h PHE 260 CO -0.05 0.34 0.42 0.78 -2.23 0.00 0.00 178.31 177.57 3k96 h GLY 261 N 0.24 1.00 0.95 2.40 0.00 -0.18 -1.97 103.07 105.51 3k96 h GLY 261 Ca 0.08 -0.32 0.02 0.00 0.00 0.00 0.00 47.33 47.11 3k96 h GLY 261 CO -0.01 0.25 0.45 -2.00 0.00 0.00 0.00 176.54 175.24 3k96 h LEU 262 N 0.82 0.77 -0.64 3.11 6.46 -0.52 0.27 115.31 125.58 3k96 h LEU 262 Ca 0.28 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.03 3k96 h LEU 262 Cb 0.05 -0.18 -0.03 0.00 -0.73 0.00 0.00 40.66 39.77 3k96 h LEU 262 CO -0.12 0.54 0.40 0.00 -0.62 0.00 0.00 178.44 178.64 3k96 h ALA 263 N 1.28 0.81 -0.77 1.25 0.00 -0.76 -1.59 119.26 119.47 3k96 h ALA 263 Ca 0.27 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3k96 h ALA 263 Cb -0.05 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.44 3k96 h ALA 263 CO -0.08 0.27 0.39 -0.07 0.00 0.00 0.00 179.25 179.76 3k96 h LEU 264 N 0.87 0.99 -1.90 0.00 3.38 -0.60 -0.71 115.31 117.33 3k96 h LEU 264 Ca 0.23 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3k96 h LEU 264 Cb -0.06 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.44 3k96 h LEU 264 CO -0.05 0.83 -0.12 1.23 0.09 0.00 0.00 178.44 180.42 3k96 h GLY 265 N 1.08 0.00 -1.17 0.83 0.00 -0.54 -1.69 103.07 101.57 3k96 h GLY 265 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.60 3k96 h GLY 265 CO -0.04 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.68 3k96 n GLU 266 N -3.94 1.85 -0.33 4.80 1.02 -0.47 -4.10 120.64 119.46 3k96 n GLU 266 Ca -0.02 -1.29 0.00 0.00 -0.02 0.00 0.00 57.16 55.82 3k96 n GLU 266 Cb 0.21 -1.36 0.00 0.00 -0.02 0.00 0.00 31.44 30.27 3k96 n GLU 266 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3k96 n GLY 267 N 1.15 0.80 3.75 0.62 0.00 -0.64 -5.06 105.19 105.81 3k96 n GLY 267 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 3k96 n GLY 267 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k96 s VAL 268 N -2.15 3.94 0.57 1.61 1.01 -0.40 -4.99 120.40 119.99 3k96 s VAL 268 Ca 0.00 1.94 -0.16 0.00 0.00 0.00 0.00 61.98 63.76 3k96 s VAL 268 Cb 0.00 -4.23 -0.05 0.00 0.00 0.00 0.00 36.38 32.10 3k96 s VAL 268 CO 0.00 0.45 1.04 1.51 0.00 0.00 0.00 175.10 178.10 3k96 s ASP 269 N -1.04 6.04 0.32 3.32 1.47 -1.26 -4.23 116.67 121.28 3k96 s ASP 269 Ca 0.42 1.74 0.02 0.00 1.18 0.00 0.00 52.55 55.91 3k96 s ASP 269 Cb -0.27 -2.52 0.59 0.00 -0.34 0.00 0.00 42.92 40.37 3k96 s ASP 269 CO 0.34 -0.99 1.92 0.07 0.68 0.00 0.00 175.17 177.19 3k96 h LYS 270 N 0.56 0.93 0.56 2.11 2.10 -1.96 0.92 116.57 121.78 3k96 h LYS 270 Ca -0.47 -0.06 -0.03 0.00 -2.00 0.00 0.00 60.65 58.10 3k96 h LYS 270 Cb 1.21 -0.21 0.01 0.00 -0.90 0.00 0.00 32.23 32.33 3k96 h LYS 270 CO 0.59 0.61 -0.27 -0.22 -2.00 0.00 0.00 179.45 178.16 3k96 h LYS 271 N 0.96 -0.73 -0.73 0.07 3.64 -2.00 -0.92 116.57 116.86 3k96 h LYS 271 Ca 0.38 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.81 3k96 h LYS 271 Cb 0.24 0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.19 3k96 h LYS 271 CO -0.14 -0.45 0.46 1.49 -2.27 0.00 0.00 179.45 178.54 3k96 h GLU 272 N -0.85 0.97 -0.77 1.90 4.81 -1.88 -1.80 114.58 116.96 3k96 h GLU 272 Ca -0.08 -0.08 0.05 0.00 -0.13 0.00 0.00 59.36 59.13 3k96 h GLU 272 Cb 0.61 -0.21 -0.06 0.00 0.63 0.00 0.00 28.75 29.73 3k96 h GLU 272 CO 0.13 0.67 0.47 0.00 -0.73 0.00 0.00 179.01 179.55 3k96 h ALA 273 N 1.24 1.05 -0.21 2.92 0.00 -0.71 -0.57 119.26 122.97 3k96 h ALA 273 Ca 0.26 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 3k96 h ALA 273 Cb -0.07 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 3k96 h ALA 273 CO -0.05 0.21 -0.30 1.96 0.00 0.00 0.00 179.25 181.07 3k96 h GLN 274 N 0.88 0.58 -0.64 0.00 4.20 -0.85 -2.91 115.11 116.36 3k96 h GLN 274 Ca 0.33 -0.34 0.02 0.00 0.06 0.00 0.00 58.65 58.73 3k96 h GLN 274 Cb 0.14 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.91 3k96 h GLN 274 CO -0.16 0.94 0.42 1.96 -0.67 0.00 0.00 178.83 181.32 3k96 h GLN 275 N 0.26 0.79 -0.04 1.46 4.20 -1.04 -1.98 115.11 118.77 3k96 h GLN 275 Ca 0.02 -0.05 -0.10 0.00 0.06 0.00 0.00 58.65 58.59 3k96 h GLN 275 Cb 0.87 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 3k96 h GLN 275 CO 0.07 0.53 -0.44 0.00 -0.67 0.00 0.00 178.83 178.31 3k96 h ALA 276 N 1.61 1.20 0.08 3.87 0.00 -1.04 -3.26 119.26 121.72 3k96 h ALA 276 Ca 0.24 -0.41 -0.29 0.00 0.00 0.00 0.00 54.91 54.45 3k96 h ALA 276 Cb -0.02 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 17.72 3k96 h ALA 276 CO -0.06 0.58 -1.18 0.82 0.00 0.00 0.00 179.25 179.40 3k96 h ILE 277 N 0.07 1.28 0.00 0.00 2.04 -1.17 -3.49 117.51 116.24 3k96 h ILE 277 Ca 0.00 -2.39 0.00 0.00 1.00 0.00 0.00 64.86 63.47 3k96 h ILE 277 Cb 0.81 2.59 0.00 0.00 -0.74 0.00 0.00 36.82 39.48 3k96 h ILE 277 CO 0.06 0.73 0.00 0.61 0.00 0.00 0.00 178.15 179.55 3k96 n GLY 278 N 1.28 0.38 0.00 5.37 0.00 -0.98 -5.00 105.19 106.24 3k96 n GLY 278 Ca -0.13 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.81 3k96 n GLY 278 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3k96 n GLN 279 N -3.00 0.00 -4.07 1.61 6.02 -1.26 -5.09 117.38 111.59 3k96 n GLN 279 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.67 3k96 n GLN 279 Cb 0.00 0.00 -0.15 0.00 1.02 0.00 0.00 30.24 31.11 3k96 n GLN 279 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3k96 s ALA 280 N -1.94 2.53 -0.90 -1.58 0.00 -1.26 -5.03 121.76 113.59 3k96 s ALA 280 Ca 0.00 -1.63 -0.21 0.00 0.00 0.00 0.00 51.96 50.12 3k96 s ALA 280 Cb 0.00 -1.51 0.09 0.00 0.00 0.00 0.00 23.12 21.69 3k96 s ALA 280 CO 0.00 -0.98 1.22 0.42 0.00 0.00 0.00 175.76 176.41 3k96 s ILE 281 N 1.16 4.31 0.54 0.00 -1.09 -1.26 -4.80 121.20 120.06 3k96 s ILE 281 Ca -0.05 -0.94 0.25 0.00 -2.23 0.00 0.00 60.65 57.68 3k96 s ILE 281 Cb -0.18 -4.87 0.38 0.00 -1.58 0.00 0.00 42.46 36.21 3k96 s ILE 281 CO -0.07 -1.67 2.02 -0.33 -1.23 0.00 0.00 174.94 173.67 3k96 h GLU 282 N 9.37 0.00 -0.99 2.79 4.39 -1.97 -2.20 114.58 125.97 3k96 h GLU 282 Ca 0.06 0.00 0.18 0.00 0.34 0.00 0.00 59.36 59.93 3k96 h GLU 282 Cb 1.03 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.58 3k96 h GLU 282 CO 1.24 0.00 0.62 0.78 -1.16 0.00 0.00 179.01 180.48 3k96 h GLY 283 N 0.00 1.66 0.75 -3.84 0.00 -1.87 0.30 103.07 100.06 3k96 h GLY 283 Ca 0.20 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 3k96 h GLY 283 CO -0.00 -0.01 0.00 1.41 0.00 0.00 0.00 176.54 177.95 3k96 h LEU 284 N 0.78 0.07 -0.64 3.11 4.07 -1.76 -0.58 115.31 120.37 3k96 h LEU 284 Ca 0.55 -0.28 -0.04 0.00 0.08 0.00 0.00 57.88 58.20 3k96 h LEU 284 Cb 0.84 -0.02 -0.03 0.00 1.08 0.00 0.00 40.66 42.53 3k96 h LEU 284 CO -0.33 0.33 0.25 1.88 -1.08 0.00 0.00 178.44 179.48 3k96 h TYR 285 N -0.20 0.98 -0.68 1.13 0.05 -1.42 -2.81 116.97 114.02 3k96 h TYR 285 Ca 0.01 -0.08 -0.04 0.00 0.05 0.00 0.00 58.73 58.67 3k96 h TYR 285 Cb 0.29 -0.29 -0.03 0.00 1.01 0.00 0.00 36.73 37.71 3k96 h TYR 285 CO 0.02 0.77 0.25 -0.91 -1.05 0.00 0.00 178.16 177.25 3k96 h ASN 286 N 0.90 0.95 -0.24 3.88 -0.26 -0.41 -1.95 115.58 118.44 3k96 h ASN 286 Ca 0.21 -0.18 0.05 0.00 -0.56 0.00 0.00 56.30 55.82 3k96 h ASN 286 Cb 0.22 -0.25 -0.05 0.00 -1.06 0.00 0.00 38.32 37.18 3k96 h ASN 286 CO -0.02 0.88 -0.10 0.74 -1.06 0.00 0.00 177.43 177.88 3k96 h THR 287 N 0.97 0.68 -0.41 2.81 2.02 -0.85 0.13 112.91 118.25 3k96 h THR 287 Ca 0.22 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.37 3k96 h THR 287 Cb 0.24 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 3k96 h THR 287 CO -0.01 0.00 0.12 0.44 0.37 0.00 0.00 175.52 176.43 3k96 h ASP 288 N -0.06 0.61 0.36 4.18 3.32 -1.40 0.13 116.42 123.57 3k96 h ASP 288 Ca 0.12 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 3k96 h ASP 288 Cb 0.24 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 3k96 h ASP 288 CO -0.28 0.67 -0.29 1.56 -1.72 0.00 0.00 179.24 179.18 3k96 h GLN 289 N 0.53 -0.64 -0.36 3.56 4.20 -1.06 -2.11 115.11 119.23 3k96 h GLN 289 Ca 0.13 0.04 -0.07 0.00 0.06 0.00 0.00 58.65 58.82 3k96 h GLN 289 Cb 0.28 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.20 3k96 h GLN 289 CO -0.00 -0.43 -0.04 0.28 -0.67 0.00 0.00 178.83 177.97 3k96 h VAL 290 N -0.66 1.27 -0.86 -0.54 2.07 -0.72 -1.96 116.25 114.85 3k96 h VAL 290 Ca -0.03 -1.07 0.10 0.00 0.82 0.00 0.00 66.70 66.52 3k96 h VAL 290 Cb 0.58 1.24 -0.07 0.00 -1.52 0.00 0.00 31.29 31.51 3k96 h VAL 290 CO -0.02 0.35 0.51 -0.74 0.02 0.00 0.00 177.57 177.69 3k96 h HIS 291 N 0.47 0.92 -0.45 1.57 -0.00 -0.74 0.27 115.15 117.18 3k96 h HIS 291 Ca 0.10 0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.41 3k96 h HIS 291 Cb 0.53 -0.28 -0.01 0.00 -0.00 0.00 0.00 27.41 27.64 3k96 h HIS 291 CO 0.04 0.38 -0.06 0.00 -0.00 0.00 0.00 177.93 178.30 3k96 h ALA 292 N 1.47 0.62 -0.45 5.26 0.00 -1.12 -1.55 119.26 123.48 3k96 h ALA 292 Ca 0.41 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3k96 h ALA 292 Cb 0.37 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3k96 h ALA 292 CO -0.24 0.47 0.23 1.25 0.00 0.00 0.00 179.25 180.95 3k96 h LEU 293 N 0.68 0.57 -1.22 0.00 5.85 -0.78 -0.32 115.31 120.09 3k96 h LEU 293 Ca 0.12 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 3k96 h LEU 293 Cb 0.58 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 3k96 h LEU 293 CO 0.03 0.52 0.44 0.00 -0.34 0.00 0.00 178.44 179.10 3k96 h ALA 294 N 1.08 1.42 -0.11 1.25 0.00 -0.24 -1.96 119.26 120.70 3k96 h ALA 294 Ca 0.16 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3k96 h ALA 294 Cb 0.08 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3k96 h ALA 294 CO -0.02 0.51 -0.34 1.96 0.00 0.00 0.00 179.25 181.35 3k96 h GLN 295 N 0.99 0.43 -0.91 0.00 1.08 -0.98 0.34 115.11 116.05 3k96 h GLN 295 Ca 0.26 -0.31 0.16 0.00 -1.45 0.00 0.00 58.65 57.31 3k96 h GLN 295 Cb -0.06 0.05 -0.07 0.00 -0.05 0.00 0.00 27.48 27.35 3k96 h GLN 295 CO -0.05 0.93 0.59 -0.22 -0.95 0.00 0.00 178.83 179.13 3k96 h LYS 296 N -0.00 0.65 -0.45 1.46 3.64 -0.78 -2.25 116.57 118.84 3k96 h LYS 296 Ca -0.01 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3k96 h LYS 296 Cb 0.97 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 3k96 h LYS 296 CO 0.07 0.43 0.00 0.72 -2.27 0.00 0.00 179.45 178.41 3k96 n HIS 297 N -4.58 0.60 -3.82 1.91 8.25 -0.76 -5.00 115.22 111.81 3k96 n HIS 297 Ca 0.18 -0.49 -0.26 0.00 -0.26 0.00 0.00 57.72 56.89 3k96 n HIS 297 Cb 0.51 -0.02 0.01 0.00 1.12 0.00 0.00 29.99 31.61 3k96 n HIS 297 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3k96 n ALA 298 N 0.84 -2.16 -2.83 -1.41 0.00 0.19 -4.97 120.51 110.17 3k96 n ALA 298 Ca 0.15 -0.24 -0.34 0.00 0.00 0.00 0.00 53.44 53.01 3k96 n ALA 298 Cb 0.48 -2.30 -0.10 0.00 0.00 0.00 0.00 19.45 17.53 3k96 n ALA 298 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3k96 s ILE 299 N -3.77 4.75 -0.17 0.00 1.01 0.97 -5.02 121.20 118.98 3k96 s ILE 299 Ca 0.13 -0.05 -0.29 0.00 0.00 0.00 0.00 60.65 60.44 3k96 s ILE 299 Cb -0.05 -3.14 -0.01 0.00 0.01 0.00 0.00 42.46 39.27 3k96 s ILE 299 CO 0.86 0.46 1.22 -0.70 0.00 0.00 0.00 174.94 176.79 3k96 s GLU 300 N 0.36 4.25 -0.44 2.79 2.56 -1.26 -4.71 118.70 122.25 3k96 s GLU 300 Ca 0.03 1.61 0.05 0.00 0.00 0.00 0.00 54.97 56.66 3k96 s GLU 300 Cb -0.12 -3.73 0.18 0.00 2.00 0.00 0.00 34.13 32.45 3k96 s GLU 300 CO 0.00 -0.67 0.46 -1.64 -0.56 0.00 0.00 175.26 172.85 3k96 s MET 301 N 3.35 0.94 0.18 4.30 -1.94 -1.26 -4.91 119.30 119.96 3k96 s MET 301 Ca 0.53 -1.76 -0.12 0.00 -1.71 0.00 0.00 55.69 52.63 3k96 s MET 301 Cb -0.21 -0.98 0.10 0.00 2.01 0.00 0.00 34.83 35.75 3k96 s MET 301 CO 0.14 -1.36 1.82 -1.00 -0.01 0.00 0.00 175.02 174.60 3k96 h PRO 302 N 5.49 0.86 -0.24 2.03 0.13 -1.97 -0.04 132.00 138.26 3k96 h PRO 302 Ca 0.20 -0.08 -0.01 0.00 -0.87 0.00 0.00 66.00 65.24 3k96 h PRO 302 Cb 0.97 -0.18 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 3k96 h PRO 302 CO 0.26 0.62 0.12 -0.07 -0.23 0.00 0.00 178.00 178.69 3k96 h LEU 303 N 0.85 0.32 -0.67 1.56 4.07 -1.96 -1.24 115.31 118.24 3k96 h LEU 303 Ca 0.22 -0.12 0.01 0.00 0.08 0.00 0.00 57.88 58.07 3k96 h LEU 303 Cb -0.01 -0.08 -0.03 0.00 1.08 0.00 0.00 40.66 41.62 3k96 h LEU 303 CO -0.04 0.35 0.44 0.74 -1.08 0.00 0.00 178.44 178.85 3k96 h THR 304 N 0.26 1.16 -0.73 0.22 2.02 -1.86 -1.50 112.91 112.49 3k96 h THR 304 Ca 0.08 -0.31 -0.05 0.00 0.77 0.00 0.00 66.41 66.90 3k96 h THR 304 Cb 0.12 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 66.69 3k96 h THR 304 CO -0.01 0.16 0.24 -0.26 0.37 0.00 0.00 175.52 176.02 3k96 h PHE 305 N 0.90 1.15 -0.52 3.16 -1.00 -0.76 -1.72 116.94 118.14 3k96 h PHE 305 Ca 0.25 -0.11 -0.07 0.00 2.81 0.00 0.00 57.97 60.86 3k96 h PHE 305 Cb -0.09 -0.34 -0.02 0.00 3.61 0.00 0.00 35.95 39.11 3k96 h PHE 305 CO -0.03 0.90 0.07 1.96 -1.61 0.00 0.00 178.31 179.60 3k96 h GLN 306 N 1.07 0.88 -0.66 1.51 1.08 -0.70 -1.42 115.11 116.87 3k96 h GLN 306 Ca 0.24 -0.24 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 3k96 h GLN 306 Cb 0.28 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 27.58 3k96 h GLN 306 CO -0.01 0.87 0.36 0.28 -0.95 0.00 0.00 178.83 179.38 3k96 h VAL 307 N 0.76 1.21 -0.88 -0.54 2.07 -1.09 -0.41 116.25 117.37 3k96 h VAL 307 Ca 0.16 -0.52 -0.01 0.00 0.82 0.00 0.00 66.70 67.15 3k96 h VAL 307 Cb 0.42 0.35 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 3k96 h VAL 307 CO 0.01 0.23 0.50 -0.74 0.02 0.00 0.00 177.57 177.59 3k96 h HIS 308 N 0.90 1.19 -0.40 1.57 -0.00 -1.06 -1.18 115.15 116.18 3k96 h HIS 308 Ca 0.23 -0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 60.50 3k96 h HIS 308 Cb 0.04 -0.38 -0.02 0.00 -0.00 0.00 0.00 27.41 27.05 3k96 h HIS 308 CO -0.01 0.81 -0.10 0.00 -0.00 0.00 0.00 177.93 178.63 3k96 h ARG 309 N 1.22 0.69 -0.70 5.26 3.08 -0.48 -0.30 114.38 123.16 3k96 h ARG 309 Ca 0.31 -0.22 -0.07 0.00 0.07 0.00 0.00 59.98 60.08 3k96 h ARG 309 Cb -0.00 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 29.95 3k96 h ARG 309 CO -0.05 0.78 0.17 0.82 -1.07 0.00 0.00 179.97 180.61 3k96 h ILE 310 N 0.63 1.26 0.10 2.04 2.04 -0.31 0.77 117.51 124.05 3k96 h ILE 310 Ca 0.11 -0.97 -0.26 0.00 1.00 0.00 0.00 64.86 64.74 3k96 h ILE 310 Cb 0.55 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 3k96 h ILE 310 CO 0.03 0.37 -1.22 -0.07 0.00 0.00 0.00 178.15 177.27 3k96 h LEU 311 N 1.06 0.32 0.00 1.44 3.38 -0.92 -3.34 115.31 117.24 3k96 h LEU 311 Ca 0.22 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3k96 h LEU 311 Cb 0.37 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3k96 h LEU 311 CO 0.00 1.28 -0.80 1.41 0.09 0.00 0.00 178.44 180.41 3k96 n HIS 312 N -3.48 0.00 -0.99 1.13 8.25 -0.15 -4.69 115.22 115.29 3k96 n HIS 312 Ca -0.07 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.45 3k96 n HIS 312 Cb 1.01 -0.08 0.09 0.00 1.12 0.00 0.00 29.99 32.13 3k96 n HIS 312 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3k96 n GLU 313 N -1.44 1.39 -2.46 -0.41 1.02 0.24 -4.99 120.64 113.98 3k96 n GLU 313 Ca 0.00 -2.11 -0.12 0.00 -0.02 0.00 0.00 57.16 54.91 3k96 n GLU 313 Cb 0.14 -1.25 -0.01 0.00 -0.02 0.00 0.00 31.44 30.31 3k96 n GLU 313 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3k96 n ASP 314 N -1.03 -3.85 -4.75 1.62 -0.08 -1.12 -4.91 116.55 102.43 3k96 n ASP 314 Ca 0.10 0.19 -0.41 0.00 -1.51 0.00 0.00 54.79 53.16 3k96 n ASP 314 Cb 0.57 -3.27 -0.02 0.00 2.34 0.00 0.00 41.12 40.74 3k96 n ASP 314 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 3k96 s LEU 315 N -5.62 4.35 0.06 -2.67 2.96 -1.07 -4.92 118.68 111.77 3k96 s LEU 315 Ca 0.01 2.90 -0.31 0.00 -0.22 0.00 0.00 54.13 56.51 3k96 s LEU 315 Cb -0.00 -3.63 -0.08 0.00 0.50 0.00 0.00 46.19 42.97 3k96 s LEU 315 CO 0.01 -0.88 1.61 -0.62 -1.32 0.00 0.00 176.35 175.15 3k96 s ASP 316 N 0.49 6.64 0.20 3.68 2.15 -1.26 -4.58 116.67 124.00 3k96 s ASP 316 Ca 0.63 2.44 -0.11 0.00 0.43 0.00 0.00 52.55 55.94 3k96 s ASP 316 Cb -0.47 -2.56 0.27 0.00 -0.30 0.00 0.00 42.92 39.86 3k96 s ASP 316 CO 0.47 -0.86 1.69 -0.65 -0.17 0.00 0.00 175.17 175.65 3k96 h PRO 317 N 8.18 0.19 0.02 4.34 0.11 -1.91 0.70 132.00 143.63 3k96 h PRO 317 Ca -0.42 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.70 3k96 h PRO 317 Cb 1.20 -0.04 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 3k96 h PRO 317 CO 0.92 0.13 -0.18 0.37 -0.21 0.00 0.00 178.00 179.04 3k96 h GLN 318 N 0.20 -0.29 -0.65 1.05 5.75 -1.92 -1.69 115.11 117.56 3k96 h GLN 318 Ca 0.30 0.02 0.06 0.00 -0.15 0.00 0.00 58.65 58.88 3k96 h GLN 318 Cb 0.46 0.07 -0.05 0.00 1.07 0.00 0.00 27.48 29.02 3k96 h GLN 318 CO -0.43 -0.19 0.36 0.37 -2.65 0.00 0.00 178.83 176.29 3k96 h GLN 319 N -0.30 0.64 -0.30 1.69 4.15 -1.78 -1.19 115.11 118.02 3k96 h GLN 319 Ca 0.05 -0.04 0.04 0.00 0.77 0.00 0.00 58.65 59.47 3k96 h GLN 319 Cb 0.36 -0.14 -0.04 0.00 0.21 0.00 0.00 27.48 27.87 3k96 h GLN 319 CO -0.16 0.42 0.07 0.00 -1.93 0.00 0.00 178.83 177.23 3k96 h ALA 320 N 1.35 0.32 -0.28 3.38 0.00 -0.25 -1.39 119.26 122.39 3k96 h ALA 320 Ca 0.29 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 55.10 3k96 h ALA 320 Cb 0.19 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3k96 h ALA 320 CO -0.19 -0.34 -0.46 0.28 0.00 0.00 0.00 179.25 178.54 3k96 h VAL 321 N 0.18 1.29 -0.59 0.00 2.07 -1.06 -2.87 116.25 115.28 3k96 h VAL 321 Ca 0.14 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 66.01 3k96 h VAL 321 Cb 0.14 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.45 3k96 h VAL 321 CO -0.18 0.53 0.38 -0.61 0.02 0.00 0.00 177.57 177.72 3k96 h GLN 322 N 0.59 0.78 -0.41 1.57 4.15 -0.93 -1.54 115.11 119.31 3k96 h GLN 322 Ca 0.03 -0.05 0.01 0.00 0.77 0.00 0.00 58.65 59.41 3k96 h GLN 322 Cb 1.02 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.52 3k96 h GLN 322 CO 0.10 0.53 0.27 0.93 -1.93 0.00 0.00 178.83 178.73 3k96 h GLU 323 N 0.79 0.53 -0.15 1.69 5.08 -1.14 -1.68 114.58 119.71 3k96 h GLU 323 Ca 0.21 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.42 3k96 h GLU 323 Cb -0.07 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.06 3k96 h GLU 323 CO -0.04 0.35 -0.40 -0.07 -1.00 0.00 0.00 179.01 177.85 3k96 h LEU 324 N 0.55 0.61 -0.32 1.33 3.38 -1.10 -3.29 115.31 116.46 3k96 h LEU 324 Ca 0.15 -0.59 -0.18 0.00 0.09 0.00 0.00 57.88 57.36 3k96 h LEU 324 Cb -0.05 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3k96 h LEU 324 CO -0.03 1.09 -0.84 -0.07 0.09 0.00 0.00 178.44 178.67 3k96 h LEU 325 N 0.16 0.03 -7.88 1.67 3.38 -1.19 -3.41 115.31 108.06 3k96 h LEU 325 Ca -0.01 -0.03 -0.77 0.00 0.09 0.00 0.00 57.88 57.17 3k96 h LEU 325 Cb 1.02 -0.01 -0.27 0.00 0.09 0.00 0.00 40.66 41.49 3k96 h LEU 325 CO 0.09 0.86 -0.08 -1.61 0.09 0.00 0.00 178.44 177.78 3k96 s GLU 326 N -3.11 3.22 0.00 1.13 2.02 -0.64 -5.12 118.70 116.20 3k96 s GLU 326 Ca -0.00 -2.21 0.25 0.00 0.02 0.00 0.00 54.97 53.03 3k96 s GLU 326 Cb 0.11 -4.27 0.47 0.00 0.10 0.00 0.00 34.13 30.54 3k96 s GLU 326 CO 0.80 -1.28 1.42 0.54 0.02 0.00 0.00 175.26 176.76