#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h37 h TYR 11 N 0.00 0.00 -0.95 0.00 -0.00 -2.01 -3.19 116.97 110.82 1h37 h TYR 11 Ca 0.00 0.00 0.27 0.00 0.00 0.00 0.00 58.73 59.00 1h37 h TYR 11 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 36.73 36.59 1h37 h TYR 11 CO 0.00 0.24 0.45 0.00 -0.00 0.00 0.00 178.16 178.85 1h37 h ALA 12 N 1.76 1.67 -0.43 0.10 0.00 -1.99 0.72 119.26 121.09 1h37 h ALA 12 Ca -0.00 0.19 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1h37 h ALA 12 Cb 0.46 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1h37 h ALA 12 CO 0.03 -0.47 -0.13 0.00 0.00 0.00 0.00 179.25 178.68 1h37 h ARG 13 N 0.34 0.79 0.35 0.00 3.08 -1.98 0.15 114.38 117.11 1h37 h ARG 13 Ca 0.65 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 60.41 1h37 h ARG 13 Cb 1.37 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.36 1h37 h ARG 13 CO -0.59 0.88 -0.17 1.15 -1.07 0.00 0.00 179.97 180.17 1h37 h THR 14 N 0.71 0.67 -0.57 2.04 2.02 0.12 -0.77 112.91 117.13 1h37 h THR 14 Ca 0.12 -0.21 0.01 0.00 0.77 0.00 0.00 66.41 67.10 1h37 h THR 14 Cb 0.62 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 1h37 h THR 14 CO 0.04 0.04 0.38 0.25 0.37 0.00 0.00 175.52 176.60 1h37 h LEU 15 N -0.58 0.65 -0.72 2.58 6.46 -0.57 0.11 115.31 123.24 1h37 h LEU 15 Ca -0.05 -0.02 -0.14 0.00 -0.12 0.00 0.00 57.88 57.56 1h37 h LEU 15 Cb 0.43 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.18 1h37 h LEU 15 CO 0.08 0.47 -0.53 0.44 -0.62 0.00 0.00 178.44 178.27 1h37 h ASP 16 N 0.76 0.33 0.30 1.25 3.32 -0.42 -1.47 116.42 120.48 1h37 h ASP 16 Ca 0.21 -0.17 -0.25 0.00 0.02 0.00 0.00 57.03 56.84 1h37 h ASP 16 Cb -0.07 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 39.40 1h37 h ASP 16 CO -0.05 0.80 -1.06 0.03 -1.72 0.00 0.00 179.24 177.24 1h37 h ARG 17 N 0.23 0.47 -0.58 3.56 3.08 -0.34 -3.04 114.38 117.75 1h37 h ARG 17 Ca 0.01 -0.56 -0.01 0.00 0.07 0.00 0.00 59.98 59.48 1h37 h ARG 17 Cb 1.01 0.17 -0.03 0.00 0.08 0.00 0.00 29.97 31.21 1h37 h ARG 17 CO 0.09 1.20 0.32 0.00 -1.07 0.00 0.00 179.97 180.51 1h37 h ALA 18 N 0.59 0.75 0.22 0.04 0.00 -0.67 -2.34 119.26 117.85 1h37 h ALA 18 Ca -0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1h37 h ALA 18 Cb 1.72 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1h37 h ALA 18 CO 0.19 0.27 -0.11 0.28 0.00 0.00 0.00 179.25 179.88 1h37 h VAL 19 N 0.79 0.82 0.00 0.00 2.07 -1.31 -2.09 116.25 116.53 1h37 h VAL 19 Ca 0.21 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1h37 h VAL 19 Cb 0.04 0.96 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1h37 h VAL 19 CO -0.03 0.05 -0.06 1.05 0.02 0.00 0.00 177.57 178.60 1h37 h GLU 20 N -0.41 0.00 0.38 1.57 4.11 -1.49 -1.78 114.58 116.95 1h37 h GLU 20 Ca -0.03 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.38 1h37 h GLU 20 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1h37 h GLU 20 CO 0.05 0.06 -0.18 -0.92 0.07 0.00 0.00 179.01 178.09 1h37 h TYR 21 N 0.00 -0.47 -0.46 2.06 3.20 -1.11 -2.80 116.97 117.39 1h37 h TYR 21 Ca -0.00 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 61.95 1h37 h TYR 21 Cb 0.16 0.16 -0.10 0.00 1.54 0.00 0.00 36.73 38.49 1h37 h TYR 21 CO 0.00 -0.21 -0.28 -0.07 -1.64 0.00 0.00 178.16 175.97 1h37 h LEU 22 N -1.07 -0.94 -2.14 2.82 3.38 -1.18 0.37 115.31 116.55 1h37 h LEU 22 Ca -0.05 0.19 0.01 0.00 0.09 0.00 0.00 57.88 58.12 1h37 h LEU 22 Cb 0.47 0.47 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 1h37 h LEU 22 CO 0.08 -0.28 0.29 -0.07 0.09 0.00 0.00 178.44 178.55 1h37 h LEU 23 N -0.18 0.00 0.00 1.67 3.38 -1.39 0.17 115.31 118.96 1h37 h LEU 23 Ca 0.21 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.04 1h37 h LEU 23 Cb 0.51 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1h37 h LEU 23 CO -0.57 0.00 -1.00 0.77 0.09 0.00 0.00 178.44 177.73 1h37 h SER 24 N 0.00 0.00 1.95 -0.43 4.64 0.02 -3.31 113.55 116.42 1h37 h SER 24 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1h37 h SER 24 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1h37 h SER 24 CO -0.00 0.54 -0.04 0.00 -0.87 0.00 0.00 176.83 176.46 1h37 n GLN 26 N -3.08 2.10 -1.85 0.00 7.27 -1.10 -4.77 117.38 115.96 1h37 n GLN 26 Ca 0.04 0.75 -0.29 0.00 0.07 0.00 0.00 57.00 57.57 1h37 n GLN 26 Cb 0.53 -2.39 0.10 0.00 2.41 0.00 0.00 30.24 30.88 1h37 n GLN 26 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1h37 s LYS 27 N -0.76 1.84 0.07 3.69 3.01 -0.11 -4.96 119.74 122.52 1h37 s LYS 27 Ca 0.65 0.14 -0.31 0.00 -1.01 0.00 0.00 55.97 55.43 1h37 s LYS 27 Cb -0.62 -1.93 -0.18 0.00 -1.01 0.00 0.00 37.83 34.09 1h37 s LYS 27 CO 0.52 -1.68 1.59 -0.44 0.51 0.00 0.00 175.35 175.85 1h37 h ASP 28 N -1.12 -0.66 -0.14 2.83 5.19 -1.93 -2.33 116.42 118.26 1h37 h ASP 28 Ca -0.47 0.01 0.04 0.00 -0.62 0.00 0.00 57.03 55.99 1h37 h ASP 28 Cb 1.33 0.17 -0.01 0.00 0.18 0.00 0.00 39.33 41.01 1h37 h ASP 28 CO 0.65 -0.45 0.58 -0.33 -3.12 0.00 0.00 179.24 176.58 1h37 h GLU 29 N -0.82 0.00 0.00 3.56 3.07 -1.97 -3.44 114.58 114.99 1h37 h GLU 29 Ca -0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 1h37 h GLU 29 Cb 0.61 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 1h37 h GLU 29 CO 0.13 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.15 1h37 n GLY 30 N -1.37 1.29 3.59 -3.84 0.00 -0.87 -4.75 105.19 99.24 1h37 n GLY 30 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 1h37 n GLY 30 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1h37 s TYR 31 N -2.00 2.48 0.06 1.61 -0.85 -1.26 -3.33 117.35 114.05 1h37 s TYR 31 Ca 0.00 -0.49 0.04 0.00 -0.52 0.00 0.00 57.07 56.10 1h37 s TYR 31 Cb 0.00 -1.48 -0.04 0.00 0.38 0.00 0.00 41.96 40.82 1h37 s TYR 31 CO 0.00 0.52 -0.01 -1.58 -1.52 0.00 0.00 175.55 172.96 1h37 s TRP 32 N -2.58 2.99 -0.34 -3.49 0.51 -1.26 -0.93 118.94 113.83 1h37 s TRP 32 Ca 0.34 -0.01 0.05 0.00 -2.12 0.00 0.00 56.10 54.37 1h37 s TRP 32 Cb 0.02 -1.58 0.18 0.00 -0.81 0.00 0.00 33.47 31.28 1h37 s TRP 32 CO 0.18 0.46 0.53 -0.46 -0.51 0.00 0.00 176.95 177.15 1h37 s TRP 33 N -1.22 -1.38 0.17 -1.98 -0.00 -1.26 -3.88 118.94 109.40 1h37 s TRP 33 Ca 0.23 0.33 -0.11 0.00 -0.00 0.00 0.00 56.10 56.55 1h37 s TRP 33 Cb -0.12 0.09 -0.07 0.00 -0.00 0.00 0.00 33.47 33.38 1h37 s TRP 33 CO 0.15 -1.08 0.51 0.20 -0.00 0.00 0.00 176.95 176.74 1h37 s GLY 34 N 2.21 2.35 0.44 5.86 0.00 -1.26 -5.01 107.32 111.91 1h37 s GLY 34 Ca 0.13 -0.26 -0.24 0.00 0.00 0.00 0.00 44.72 44.35 1h37 s GLY 34 CO -0.17 -0.06 1.18 -4.14 0.00 0.00 0.00 173.10 169.91 1h37 s PRO 35 N -2.36 3.85 -0.22 2.90 0.02 -1.26 -4.54 135.00 133.39 1h37 s PRO 35 Ca 0.41 1.83 -0.10 0.00 0.02 0.00 0.00 61.00 63.16 1h37 s PRO 35 Cb -0.13 -2.51 -0.05 0.00 0.02 0.00 0.00 34.50 31.83 1h37 s PRO 35 CO 0.20 -0.49 0.16 -1.17 -0.33 0.00 0.00 177.00 175.37 1h37 s LEU 36 N -2.82 4.16 -0.10 -5.54 2.96 -1.26 -3.49 118.68 112.58 1h37 s LEU 36 Ca 0.61 0.18 -0.06 0.00 -0.22 0.00 0.00 54.13 54.64 1h37 s LEU 36 Cb -0.30 -2.11 -0.04 0.00 0.50 0.00 0.00 46.19 44.24 1h37 s LEU 36 CO 0.37 0.11 0.11 -0.76 -1.32 0.00 0.00 176.35 174.87 1h37 s LEU 37 N 0.75 4.22 0.00 -0.68 1.02 -0.59 -4.48 118.68 118.92 1h37 s LEU 37 Ca 0.08 0.39 0.00 0.00 0.02 0.00 0.00 54.13 54.62 1h37 s LEU 37 Cb -0.12 -2.06 0.00 0.00 0.02 0.00 0.00 46.19 44.03 1h37 s LEU 37 CO 0.02 0.39 0.00 -1.54 0.02 0.00 0.00 176.35 175.24 1h37 n SER 38 N 1.93 0.00 -3.59 2.29 3.41 -1.26 0.04 113.62 116.44 1h37 n SER 38 Ca -0.19 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.32 1h37 n SER 38 Cb 0.55 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.48 1h37 n SER 38 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1h37 s ASN 39 N 1.00 -0.44 0.00 4.04 2.20 -1.26 -4.76 114.94 115.72 1h37 s ASN 39 Ca 0.00 -0.23 0.00 0.00 -0.94 0.00 0.00 52.86 51.69 1h37 s ASN 39 Cb 0.00 0.63 0.00 0.00 -2.00 0.00 0.00 41.25 39.88 1h37 s ASN 39 CO 0.00 -1.09 0.71 1.33 -2.94 0.00 0.00 177.10 175.11 1h37 n VAL 40 N -0.41 0.96 0.19 3.54 0.24 -1.26 -2.36 118.33 119.23 1h37 n VAL 40 Ca -0.12 0.28 0.04 0.00 -2.04 0.00 0.00 64.34 62.50 1h37 n VAL 40 Cb 0.63 -1.28 0.39 0.00 -1.47 0.00 0.00 33.84 32.10 1h37 n VAL 40 CO 0.00 0.00 0.00 0.71 -2.14 0.00 0.00 176.83 175.40 1h37 h THR 41 N 0.00 1.15 0.69 3.34 1.35 -1.96 0.15 112.91 117.64 1h37 h THR 41 Ca 0.00 -1.26 -0.03 0.00 -0.55 0.00 0.00 66.41 64.57 1h37 h THR 41 Cb 0.08 1.70 0.01 0.00 -1.73 0.00 0.00 68.15 68.20 1h37 h THR 41 CO 0.00 0.35 -0.33 0.24 -0.25 0.00 0.00 175.52 175.53 1h37 h MET 42 N 0.00 -0.90 -0.85 4.72 2.86 -1.82 -0.71 114.93 118.24 1h37 h MET 42 Ca -0.00 0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1h37 h MET 42 Cb 0.67 0.20 -0.04 0.00 0.06 0.00 0.00 31.60 32.49 1h37 h MET 42 CO 0.05 -0.60 0.55 0.93 1.06 0.00 0.00 176.91 178.90 1h37 h GLU 43 N -0.98 1.12 -0.69 1.72 3.07 -1.75 -1.76 114.58 115.32 1h37 h GLU 43 Ca -0.10 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 58.69 1h37 h GLU 43 Cb 0.71 -0.25 -0.03 0.00 -0.84 0.00 0.00 28.75 28.34 1h37 h GLU 43 CO 0.16 0.75 0.44 0.00 -1.40 0.00 0.00 179.01 178.96 1h37 h ALA 44 N 1.30 0.87 -0.29 3.43 0.00 -0.67 -2.19 119.26 121.72 1h37 h ALA 44 Ca 0.31 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.05 1h37 h ALA 44 Cb -0.11 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1h37 h ALA 44 CO -0.06 0.32 -0.25 0.93 0.00 0.00 0.00 179.25 180.18 1h37 h GLU 45 N 0.93 0.56 -0.63 0.00 5.08 -0.91 -2.79 114.58 116.82 1h37 h GLU 45 Ca 0.25 -0.22 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1h37 h GLU 45 Cb -0.07 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 1h37 h GLU 45 CO -0.05 0.76 0.42 -0.92 -1.00 0.00 0.00 179.01 178.22 1h37 h TYR 46 N 0.49 0.79 -0.77 4.33 5.03 -0.89 0.26 116.97 126.22 1h37 h TYR 46 Ca 0.07 0.02 0.04 0.00 2.58 0.00 0.00 58.73 61.44 1h37 h TYR 46 Cb 0.69 -0.27 -0.05 0.00 1.55 0.00 0.00 36.73 38.66 1h37 h TYR 46 CO 0.03 0.50 0.48 0.28 -1.32 0.00 0.00 178.16 178.13 1h37 h VAL 47 N 0.86 1.09 -0.26 1.81 2.07 -1.14 0.93 116.25 121.59 1h37 h VAL 47 Ca 0.23 -0.32 -0.16 0.00 0.82 0.00 0.00 66.70 67.28 1h37 h VAL 47 Cb -0.10 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.75 1h37 h VAL 47 CO -0.05 0.17 -0.47 -0.07 0.02 0.00 0.00 177.57 177.17 1h37 h LEU 48 N 0.92 0.77 -0.73 2.57 3.38 -1.20 -2.35 115.31 118.67 1h37 h LEU 48 Ca 0.31 -0.38 0.02 0.00 0.09 0.00 0.00 57.88 57.93 1h37 h LEU 48 Cb 0.05 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1h37 h LEU 48 CO -0.12 1.12 0.47 0.25 0.09 0.00 0.00 178.44 180.24 1h37 h LEU 49 N 0.56 0.78 -1.10 1.67 5.85 0.50 -0.43 115.31 123.14 1h37 h LEU 49 Ca 0.03 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 1h37 h LEU 49 Cb 1.03 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.85 1h37 h LEU 49 CO 0.10 0.55 0.30 0.00 -0.34 0.00 0.00 178.44 179.05 1h37 h HIS 51 N 0.93 0.50 0.00 0.00 -0.00 -0.78 0.65 115.15 116.45 1h37 h HIS 51 Ca 0.23 -0.08 0.01 0.00 -0.00 0.00 0.00 60.37 60.53 1h37 h HIS 51 Cb 0.12 -0.13 -0.02 0.00 -0.00 0.00 0.00 27.41 27.38 1h37 h HIS 51 CO 0.01 0.61 -0.07 0.82 -0.00 0.00 0.00 177.93 179.30 1h37 h ILE 52 N 0.25 0.82 0.00 6.26 1.08 -0.56 -1.74 117.51 123.62 1h37 h ILE 52 Ca 0.08 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.55 1h37 h ILE 52 Cb 0.40 0.82 0.00 0.00 -3.07 0.00 0.00 36.82 34.97 1h37 h ILE 52 CO 0.01 0.00 0.00 0.18 -0.69 0.00 0.00 178.15 177.65 1h37 n LEU 53 N -5.19 0.00 -4.04 1.44 4.77 -0.06 -4.89 117.00 109.04 1h37 n LEU 53 Ca -0.06 0.00 -0.29 0.00 -0.03 0.00 0.00 56.01 55.63 1h37 n LEU 53 Cb 0.11 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 1h37 n LEU 53 CO 0.30 0.00 -0.15 -0.67 -1.33 0.00 0.00 177.39 175.53 1h37 n ASP 54 N -0.72 -1.50 -3.18 -1.43 2.03 -0.54 -4.91 116.55 106.30 1h37 n ASP 54 Ca 0.09 -1.00 -0.23 0.00 0.52 0.00 0.00 54.79 54.17 1h37 n ASP 54 Cb 0.04 -2.99 -0.05 0.00 -0.72 0.00 0.00 41.12 37.40 1h37 n ASP 54 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1h37 n ARG 55 N -4.42 1.58 -3.38 -0.67 1.74 0.11 -5.03 116.66 106.58 1h37 n ARG 55 Ca -0.17 -3.82 -0.39 0.00 -0.77 0.00 0.00 57.85 52.70 1h37 n ARG 55 Cb 0.62 -1.75 -0.08 0.00 -1.02 0.00 0.00 32.46 30.22 1h37 n ARG 55 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1h37 s VAL 56 N -2.46 5.18 -0.41 1.55 1.01 -1.26 -4.80 120.40 119.22 1h37 s VAL 56 Ca 0.40 0.65 -0.09 0.00 0.00 0.00 0.00 61.98 62.94 1h37 s VAL 56 Cb 0.25 -3.72 0.07 0.00 0.00 0.00 0.00 36.38 32.98 1h37 s VAL 56 CO -0.09 0.20 0.24 -0.62 0.00 0.00 0.00 175.10 174.83 1h37 s ASP 57 N 1.34 5.63 0.24 3.32 2.15 -1.26 -4.99 116.67 123.10 1h37 s ASP 57 Ca 0.17 -1.41 -0.12 0.00 0.43 0.00 0.00 52.55 51.63 1h37 s ASP 57 Cb -0.15 -1.98 0.33 0.00 -0.30 0.00 0.00 42.92 40.81 1h37 s ASP 57 CO 0.09 -0.50 1.59 0.03 -0.17 0.00 0.00 175.17 176.21 1h37 h ARG 58 N 8.40 -0.01 -0.72 4.34 2.47 -1.99 0.17 114.38 127.04 1h37 h ARG 58 Ca -0.23 0.00 0.08 0.00 -1.26 0.00 0.00 59.98 58.57 1h37 h ARG 58 Cb 1.09 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 29.34 1h37 h ARG 58 CO 0.73 -0.01 0.38 0.22 0.56 0.00 0.00 179.97 181.86 1h37 h ASP 59 N -0.01 0.52 -0.49 7.04 1.82 -2.00 -1.66 116.42 121.63 1h37 h ASP 59 Ca 0.38 0.05 -0.08 0.00 -0.39 0.00 0.00 57.03 56.99 1h37 h ASP 59 Cb 0.59 -0.05 -0.02 0.00 0.68 0.00 0.00 39.33 40.54 1h37 h ASP 59 CO -0.84 0.31 -0.01 -0.09 -1.61 0.00 0.00 179.24 177.00 1h37 h ARG 60 N 0.66 0.88 -0.89 0.28 9.65 -1.15 -2.61 114.38 121.20 1h37 h ARG 60 Ca 0.34 -0.29 0.09 0.00 -1.10 0.00 0.00 59.98 59.03 1h37 h ARG 60 Cb 0.31 -0.08 -0.06 0.00 -1.39 0.00 0.00 29.97 28.75 1h37 h ARG 60 CO -0.24 0.92 0.58 0.52 2.80 0.00 0.00 179.97 184.55 1h37 h MET 61 N 0.74 0.87 0.95 0.20 2.86 -0.38 0.04 114.93 120.21 1h37 h MET 61 Ca 0.14 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.68 1h37 h MET 61 Cb 0.53 -0.20 0.01 0.00 0.06 0.00 0.00 31.60 32.00 1h37 h MET 61 CO 0.03 0.58 -0.47 0.93 1.06 0.00 0.00 176.91 179.03 1h37 h GLU 62 N 0.90 -1.25 -0.60 1.72 4.39 -0.97 0.38 114.58 119.15 1h37 h GLU 62 Ca 0.41 0.08 0.17 0.00 0.34 0.00 0.00 59.36 60.37 1h37 h GLU 62 Cb 0.39 0.28 -0.02 0.00 -0.10 0.00 0.00 28.75 29.30 1h37 h GLU 62 CO -0.18 -0.83 0.43 0.87 -1.16 0.00 0.00 179.01 178.15 1h37 h LYS 63 N -1.29 0.02 0.01 2.33 1.57 -1.07 0.10 116.57 118.23 1h37 h LYS 63 Ca -0.13 -0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.46 1h37 h LYS 63 Cb 1.00 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 1h37 h LYS 63 CO 0.20 0.01 -0.86 0.82 -0.57 0.00 0.00 179.45 179.05 1h37 h ILE 64 N 0.02 1.57 -0.13 1.86 2.04 -0.48 -1.89 117.51 120.49 1h37 h ILE 64 Ca 0.29 -2.80 -0.11 0.00 1.00 0.00 0.00 64.86 63.24 1h37 h ILE 64 Cb 1.12 2.54 0.00 0.00 -0.74 0.00 0.00 36.82 39.74 1h37 h ILE 64 CO -0.01 0.81 -0.35 -0.09 0.00 0.00 0.00 178.15 178.51 1h37 h ARG 65 N 0.04 0.47 -0.33 2.37 2.43 0.14 -1.77 114.38 117.72 1h37 h ARG 65 Ca -0.02 -0.33 0.07 0.00 -0.81 0.00 0.00 59.98 58.89 1h37 h ARG 65 Cb 1.51 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 31.04 1h37 h ARG 65 CO 0.12 0.94 -0.11 0.00 -1.51 0.00 0.00 179.97 179.42 1h37 h ARG 66 N 0.07 -0.03 -0.20 0.20 3.08 -1.31 -0.83 114.38 115.35 1h37 h ARG 66 Ca -0.01 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.08 1h37 h ARG 66 Cb 0.96 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.99 1h37 h ARG 66 CO 0.07 -0.02 0.01 -0.92 -1.07 0.00 0.00 179.97 178.05 1h37 h TYR 67 N -0.04 0.02 -0.09 3.04 3.20 -1.49 0.53 116.97 122.14 1h37 h TYR 67 Ca 0.16 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.07 1h37 h TYR 67 Cb 0.28 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 1h37 h TYR 67 CO -0.33 -0.01 -0.04 -0.07 -1.64 0.00 0.00 178.16 176.07 1h37 h LEU 68 N 0.08 -0.13 -0.36 2.82 3.38 -0.75 -0.48 115.31 119.88 1h37 h LEU 68 Ca 0.09 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1h37 h LEU 68 Cb 0.11 0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 1h37 h LEU 68 CO -0.15 -0.06 0.12 -0.07 0.09 0.00 0.00 178.44 178.38 1h37 h LEU 69 N -0.03 0.52 -1.28 1.67 -0.00 -1.05 -2.19 115.31 112.95 1h37 h LEU 69 Ca 0.05 -0.20 0.11 0.00 -0.00 0.00 0.00 57.88 57.84 1h37 h LEU 69 Cb 0.10 -0.13 -0.06 0.00 -0.00 0.00 0.00 40.66 40.57 1h37 h LEU 69 CO -0.11 0.58 0.55 -0.74 -0.00 0.00 0.00 178.44 178.72 1h37 h HIS 70 N 0.43 0.86 0.00 1.13 2.76 -0.64 -2.04 115.15 117.65 1h37 h HIS 70 Ca 0.12 0.02 -0.11 0.00 -2.20 0.00 0.00 60.37 58.20 1h37 h HIS 70 Cb 0.24 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 28.91 1h37 h HIS 70 CO 0.01 0.38 -0.51 0.93 -1.30 0.00 0.00 177.93 177.43 1h37 h GLU 71 N 0.78 0.00 -6.89 5.26 4.39 -0.80 -3.46 114.58 113.87 1h37 h GLU 71 Ca 0.40 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.57 1h37 h GLU 71 Cb 0.48 0.00 0.09 0.00 -0.10 0.00 0.00 28.75 29.22 1h37 h GLU 71 CO -0.17 0.51 0.78 -1.14 -1.16 0.00 0.00 179.01 177.83 1h37 s GLN 72 N -3.01 4.17 0.65 2.33 0.74 -0.77 -4.86 119.66 118.91 1h37 s GLN 72 Ca 0.03 2.49 0.01 0.00 0.05 0.00 0.00 55.36 57.95 1h37 s GLN 72 Cb 0.08 -3.01 0.09 0.00 1.10 0.00 0.00 33.01 31.27 1h37 s GLN 72 CO 0.74 -0.49 0.90 1.03 -0.55 0.00 0.00 175.29 176.92 1h37 s ARG 73 N -1.56 2.03 0.23 1.67 3.00 -0.19 -4.93 118.95 119.19 1h37 s ARG 73 Ca 0.55 -1.10 -0.14 0.00 0.00 0.00 0.00 55.73 55.03 1h37 s ARG 73 Cb -0.45 -2.43 0.27 0.00 0.00 0.00 0.00 34.95 32.34 1h37 s ARG 73 CO 0.56 -1.14 1.58 0.93 0.00 0.00 0.00 175.30 177.24 1h37 h GLU 74 N -0.24 -0.04 0.00 3.54 4.39 -1.95 0.21 114.58 120.49 1h37 h GLU 74 Ca -0.37 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.33 1h37 h GLU 74 Cb 1.28 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 1h37 h GLU 74 CO 0.44 -0.03 0.00 -0.40 -1.16 0.00 0.00 179.01 177.86 1h37 n ASP 75 N -5.50 0.00 0.00 1.42 5.68 -1.26 -4.85 116.55 112.04 1h37 n ASP 75 Ca 0.10 0.11 0.00 0.00 -0.50 0.00 0.00 54.79 54.50 1h37 n ASP 75 Cb 0.40 -0.28 0.00 0.00 -1.14 0.00 0.00 41.12 40.10 1h37 n ASP 75 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h37 n GLY 76 N -0.31 0.62 3.56 6.12 0.00 0.74 -4.53 105.19 111.40 1h37 n GLY 76 Ca 0.05 -0.78 -0.26 0.00 0.00 0.00 0.00 46.02 45.04 1h37 n GLY 76 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1h37 s THR 77 N -2.00 1.27 0.07 2.61 -4.23 -1.26 -3.08 115.64 109.02 1h37 s THR 77 Ca 0.00 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.56 1h37 s THR 77 Cb 0.00 -2.64 -0.03 0.00 1.34 0.00 0.00 72.50 71.17 1h37 s THR 77 CO 0.00 0.00 -0.15 0.26 -0.54 0.00 0.00 174.62 174.19 1h37 s TRP 78 N -3.06 1.30 0.46 3.99 0.51 -1.26 -1.03 118.94 119.86 1h37 s TRP 78 Ca 0.28 -0.42 0.03 0.00 -2.12 0.00 0.00 56.10 53.87 1h37 s TRP 78 Cb 0.07 -0.74 -0.04 0.00 -0.81 0.00 0.00 33.47 31.95 1h37 s TRP 78 CO 0.14 0.07 0.01 0.00 -0.51 0.00 0.00 176.95 176.66 1h37 s ALA 79 N -1.13 3.65 0.05 0.98 0.00 -1.26 -1.15 121.76 122.89 1h37 s ALA 79 Ca 0.00 -1.16 -0.16 0.00 0.00 0.00 0.00 51.96 50.65 1h37 s ALA 79 Cb -0.09 0.15 -0.26 0.00 0.00 0.00 0.00 23.12 22.91 1h37 s ALA 79 CO 0.02 -0.09 1.12 -0.07 0.00 0.00 0.00 175.76 176.75 1h37 h LEU 80 N 1.55 0.83 -9.11 0.00 3.38 -1.89 -3.45 115.31 106.62 1h37 h LEU 80 Ca -0.43 -0.79 -0.50 0.00 0.09 0.00 0.00 57.88 56.24 1h37 h LEU 80 Cb 1.28 -0.26 -0.14 0.00 0.09 0.00 0.00 40.66 41.63 1h37 h LEU 80 CO 0.75 1.53 -0.70 -0.72 0.09 0.00 0.00 178.44 179.39 1h37 s TYR 81 N -3.11 1.96 0.02 1.13 1.13 -1.26 -4.59 117.35 112.63 1h37 s TYR 81 Ca -0.10 -0.62 -0.30 0.00 -1.41 0.00 0.00 57.07 54.63 1h37 s TYR 81 Cb 0.06 -1.05 -0.07 0.00 -1.10 0.00 0.00 41.96 39.80 1h37 s TYR 81 CO 0.91 0.36 1.54 -1.25 -2.51 0.00 0.00 175.55 174.60 1h37 s PRO 82 N -3.68 4.23 0.00 -3.49 0.04 -1.26 -2.25 135.00 128.59 1h37 s PRO 82 Ca 0.28 2.14 0.00 0.00 0.04 0.00 0.00 61.00 63.46 1h37 s PRO 82 Cb 0.02 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.92 1h37 s PRO 82 CO 0.11 -0.68 0.00 0.41 0.04 0.00 0.00 177.00 176.89 1h37 n GLY 83 N 3.85 0.57 3.87 0.56 0.00 -1.26 -4.81 105.19 107.97 1h37 n GLY 83 Ca 0.15 -0.82 -0.21 0.00 0.00 0.00 0.00 46.02 45.14 1h37 n GLY 83 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h37 s GLY 84 N -2.82 1.59 0.79 -0.02 0.00 -0.95 -5.09 107.32 100.81 1h37 s GLY 84 Ca 0.00 -1.52 -0.14 0.00 0.00 0.00 0.00 44.72 43.06 1h37 s GLY 84 CO 0.00 -1.49 1.20 -1.55 0.00 0.00 0.00 173.10 171.27 1h37 n PRO 85 N -1.35 0.30 -1.89 2.90 -0.04 -1.26 -4.72 135.00 128.93 1h37 n PRO 85 Ca -0.04 0.18 -0.40 0.00 -0.04 0.00 0.00 63.50 63.19 1h37 n PRO 85 Cb 0.59 -2.44 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 1h37 n PRO 85 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1h37 s PRO 86 N -4.00 3.96 -0.17 0.54 0.04 -1.26 -4.50 135.00 129.61 1h37 s PRO 86 Ca 0.74 2.38 -0.04 0.00 0.04 0.00 0.00 61.00 64.13 1h37 s PRO 86 Cb -0.30 -2.82 -0.03 0.00 0.04 0.00 0.00 34.50 31.39 1h37 s PRO 86 CO 0.50 -0.59 -0.03 0.34 0.04 0.00 0.00 177.00 177.26 1h37 s ASP 87 N -0.44 4.75 0.04 6.66 -1.08 -0.30 -4.98 116.67 121.32 1h37 s ASP 87 Ca 0.56 -0.17 -0.31 0.00 -0.52 0.00 0.00 52.55 52.12 1h37 s ASP 87 Cb -0.43 -1.78 -0.18 0.00 -1.46 0.00 0.00 42.92 39.07 1h37 s ASP 87 CO 0.56 0.14 1.40 0.25 0.52 0.00 0.00 175.17 178.04 1h37 h LEU 88 N 6.94 -0.77 0.01 -1.34 5.85 -1.94 -1.45 115.31 122.61 1h37 h LEU 88 Ca -0.32 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.42 1h37 h LEU 88 Cb 1.19 0.20 -0.05 0.00 0.37 0.00 0.00 40.66 42.36 1h37 h LEU 88 CO 0.62 -0.46 -0.39 0.44 -0.34 0.00 0.00 178.44 178.30 1h37 h ASP 89 N -1.05 -1.19 -0.44 1.25 3.32 -1.96 0.41 116.42 116.76 1h37 h ASP 89 Ca -0.09 0.15 0.08 0.00 0.02 0.00 0.00 57.03 57.18 1h37 h ASP 89 Cb 0.73 0.47 -0.02 0.00 0.22 0.00 0.00 39.33 40.72 1h37 h ASP 89 CO 0.15 -0.44 0.30 0.74 -1.72 0.00 0.00 179.24 178.27 1h37 h THR 90 N -0.55 0.91 0.15 0.35 2.02 -1.90 -1.16 112.91 112.72 1h37 h THR 90 Ca 0.05 -0.09 -0.30 0.00 0.77 0.00 0.00 66.41 66.84 1h37 h THR 90 Cb 0.63 0.63 0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1h37 h THR 90 CO -0.30 0.05 -1.41 0.74 0.37 0.00 0.00 175.52 174.97 1h37 h THR 91 N 0.25 1.32 -0.24 3.16 2.02 -0.16 -2.91 112.91 116.34 1h37 h THR 91 Ca 0.20 -2.88 -0.01 0.00 0.77 0.00 0.00 66.41 64.49 1h37 h THR 91 Cb 0.46 2.89 -0.01 0.00 -1.74 0.00 0.00 68.15 69.76 1h37 h THR 91 CO -0.04 0.85 0.10 0.40 0.37 0.00 0.00 175.52 177.20 1h37 h ILE 92 N 0.09 1.17 -0.64 3.11 2.04 0.51 -0.05 117.51 123.73 1h37 h ILE 92 Ca -0.20 -0.50 -0.03 0.00 1.00 0.00 0.00 64.86 65.13 1h37 h ILE 92 Cb 2.03 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 39.13 1h37 h ILE 92 CO 0.20 0.17 0.28 -0.33 0.00 0.00 0.00 178.15 178.46 1h37 h GLU 93 N 0.24 0.94 -0.36 2.37 5.08 -1.35 -1.34 114.58 120.17 1h37 h GLU 93 Ca 0.08 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.20 1h37 h GLU 93 Cb 0.17 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1h37 h GLU 93 CO -0.01 0.78 -0.10 0.00 -1.00 0.00 0.00 179.01 178.69 1h37 h ALA 94 N 1.12 1.16 0.30 3.43 0.00 -1.35 -0.40 119.26 123.51 1h37 h ALA 94 Ca 0.22 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1h37 h ALA 94 Cb 0.17 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1h37 h ALA 94 CO -0.02 0.53 -0.14 -0.92 0.00 0.00 0.00 179.25 178.70 1h37 h TYR 95 N 0.57 -0.37 -0.74 0.00 3.20 -0.25 -0.99 116.97 118.38 1h37 h TYR 95 Ca 0.10 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 1h37 h TYR 95 Cb 0.51 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.87 1h37 h TYR 95 CO 0.02 -0.23 0.42 0.28 -1.64 0.00 0.00 178.16 177.01 1h37 h VAL 96 N -0.40 1.22 -0.01 1.81 2.07 -1.10 -1.42 116.25 118.42 1h37 h VAL 96 Ca -0.04 -0.54 0.02 0.00 0.82 0.00 0.00 66.70 66.96 1h37 h VAL 96 Cb 0.31 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 1h37 h VAL 96 CO 0.07 0.24 -0.13 0.00 0.02 0.00 0.00 177.57 177.77 1h37 h ALA 97 N 1.22 -0.15 -0.01 1.67 0.00 -0.85 -1.11 119.26 120.04 1h37 h ALA 97 Ca 0.26 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1h37 h ALA 97 Cb 0.02 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1h37 h ALA 97 CO -0.04 -0.62 0.01 -0.07 0.00 0.00 0.00 179.25 178.52 1h37 h LEU 98 N -0.22 0.01 -1.22 0.00 3.38 -1.02 -1.87 115.31 114.37 1h37 h LEU 98 Ca 0.05 -0.02 0.15 0.00 0.09 0.00 0.00 57.88 58.15 1h37 h LEU 98 Cb 0.28 -0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.95 1h37 h LEU 98 CO -0.13 0.03 0.59 0.50 0.09 0.00 0.00 178.44 179.51 1h37 h LYS 99 N -0.01 0.71 -0.42 1.13 3.64 -1.02 -0.38 116.57 120.23 1h37 h LYS 99 Ca 0.00 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 59.19 1h37 h LYS 99 Cb 0.02 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 1h37 h LYS 99 CO -0.00 0.47 -0.33 -0.92 -2.27 0.00 0.00 179.45 176.40 1h37 h TYR 100 N 0.73 1.14 0.00 1.91 5.03 -0.80 -3.07 116.97 121.92 1h37 h TYR 100 Ca 0.48 -0.32 -0.06 0.00 2.58 0.00 0.00 58.73 61.41 1h37 h TYR 100 Cb 0.74 -0.25 -0.01 0.00 1.55 0.00 0.00 36.73 38.76 1h37 h TYR 100 CO -0.00 1.15 -0.27 0.82 -1.32 0.00 0.00 178.16 178.55 1h37 h ILE 101 N 0.80 0.99 0.00 1.81 2.04 -0.29 -3.47 117.51 119.39 1h37 h ILE 101 Ca 0.08 -0.99 0.00 0.00 1.00 0.00 0.00 64.86 64.95 1h37 h ILE 101 Cb 0.92 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 38.57 1h37 h ILE 101 CO 0.09 0.26 0.00 0.61 0.00 0.00 0.00 178.15 179.11 1h37 n GLY 102 N -0.52 0.62 3.72 5.37 0.00 -0.60 -5.04 105.19 108.73 1h37 n GLY 102 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1h37 n GLY 102 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1h37 n MET 103 N 0.00 2.29 -3.66 1.61 2.81 -1.09 -4.98 117.12 114.11 1h37 n MET 103 Ca 0.00 0.81 -0.33 0.00 -1.81 0.00 0.00 57.70 56.36 1h37 n MET 103 Cb 0.00 -2.45 -0.05 0.00 -0.71 0.00 0.00 33.22 30.01 1h37 n MET 103 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1h37 s SER 104 N -0.12 6.55 0.00 7.83 1.04 -1.26 -4.34 113.70 123.40 1h37 s SER 104 Ca 0.57 0.65 0.00 0.00 0.48 0.00 0.00 55.95 57.66 1h37 s SER 104 Cb -0.55 -2.12 0.00 0.00 0.10 0.00 0.00 66.02 63.45 1h37 s SER 104 CO 0.60 0.14 0.71 -2.11 0.98 0.00 0.00 173.24 173.56 1h37 n ARG 105 N 0.62 0.00 -0.08 4.02 1.85 -1.26 -2.40 116.66 119.40 1h37 n ARG 105 Ca -0.06 0.24 -0.20 0.00 -1.00 0.00 0.00 57.85 56.82 1h37 n ARG 105 Cb 0.52 -1.52 -0.12 0.00 -1.05 0.00 0.00 32.46 30.29 1h37 n ARG 105 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 1h37 h ASP 106 N 0.00 0.06 -0.88 2.89 3.32 -1.92 -3.36 116.42 116.53 1h37 h ASP 106 Ca 0.00 -0.67 -0.61 0.00 0.02 0.00 0.00 57.03 55.77 1h37 h ASP 106 Cb 0.05 -0.02 0.08 0.00 0.22 0.00 0.00 39.33 39.66 1h37 h ASP 106 CO 0.00 1.42 -0.34 -0.62 -1.72 0.00 0.00 179.24 177.98 1h37 n GLU 107 N -4.38 0.00 -0.34 3.56 1.02 -1.01 -4.26 120.64 115.24 1h37 n GLU 107 Ca -0.27 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 56.80 1h37 n GLU 107 Cb 0.68 -0.98 -0.06 0.00 -0.02 0.00 0.00 31.44 31.06 1h37 n GLU 107 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1h37 n GLU 108 N 0.98 -0.32 -0.36 3.49 4.07 -1.26 -0.47 120.64 126.77 1h37 n GLU 108 Ca 0.16 1.24 0.07 0.00 -0.06 0.00 0.00 57.16 58.57 1h37 n GLU 108 Cb 0.18 -1.82 0.24 0.00 -0.06 0.00 0.00 31.44 29.98 1h37 n GLU 108 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 1h37 h PRO 109 N 0.00 0.98 -0.21 5.31 0.11 -1.96 -1.03 132.00 135.20 1h37 h PRO 109 Ca 0.17 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 66.09 1h37 h PRO 109 Cb 0.37 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.25 1h37 h PRO 109 CO -0.78 0.65 -0.40 0.52 -0.21 0.00 0.00 178.00 177.79 1h37 h MET 110 N 1.01 0.48 -0.06 1.05 2.86 -1.07 -2.79 114.93 116.42 1h37 h MET 110 Ca 0.49 -0.24 -0.01 0.00 -2.06 0.00 0.00 59.70 57.89 1h37 h MET 110 Cb 0.47 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.12 1h37 h MET 110 CO -0.26 0.80 0.01 1.96 1.06 0.00 0.00 176.91 180.49 1h37 h GLN 111 N 0.40 0.09 -0.16 1.72 1.08 0.15 -1.97 115.11 116.42 1h37 h GLN 111 Ca 0.04 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.21 1h37 h GLN 111 Cb 0.87 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.28 1h37 h GLN 111 CO 0.07 0.29 0.08 0.87 -0.95 0.00 0.00 178.83 179.19 1h37 h LYS 112 N -0.12 0.22 -0.08 1.46 1.57 -1.42 -2.42 116.57 115.78 1h37 h LYS 112 Ca 0.02 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1h37 h LYS 112 Cb 0.24 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.45 1h37 h LYS 112 CO 0.00 0.24 -0.27 0.00 -0.57 0.00 0.00 179.45 178.86 1h37 h ALA 113 N 0.97 -0.31 -0.55 3.86 0.00 -1.42 -2.26 119.26 119.55 1h37 h ALA 113 Ca 0.06 0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.09 1h37 h ALA 113 Cb 0.09 0.50 -0.09 0.00 0.00 0.00 0.00 17.79 18.29 1h37 h ALA 113 CO -0.01 -0.75 0.00 1.25 0.00 0.00 0.00 179.25 179.74 1h37 h LEU 114 N -0.37 -0.23 0.07 0.00 6.46 -1.22 -1.17 115.31 118.85 1h37 h LEU 114 Ca 0.08 0.13 0.01 0.00 -0.12 0.00 0.00 57.88 57.99 1h37 h LEU 114 Cb 0.49 0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 40.61 1h37 h LEU 114 CO -0.29 -0.08 -0.47 0.03 -0.62 0.00 0.00 178.44 177.01 1h37 h ARG 115 N 0.12 -0.62 -0.97 1.25 2.47 -0.91 0.16 114.38 115.88 1h37 h ARG 115 Ca 0.28 0.04 0.18 0.00 -1.26 0.00 0.00 59.98 59.22 1h37 h ARG 115 Cb 0.43 0.14 -0.09 0.00 -1.65 0.00 0.00 29.97 28.81 1h37 h ARG 115 CO -0.46 -0.42 0.61 0.35 0.56 0.00 0.00 179.97 180.62 1h37 h PHE 116 N -0.65 0.90 -0.28 3.04 3.57 -1.01 0.23 116.94 122.75 1h37 h PHE 116 Ca -0.00 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.47 1h37 h PHE 116 Cb 0.66 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1h37 h PHE 116 CO -0.46 0.25 -0.03 0.82 -2.23 0.00 0.00 178.31 176.66 1h37 h ILE 117 N 0.69 1.27 -0.23 1.41 2.04 -0.26 -3.12 117.51 119.30 1h37 h ILE 117 Ca 0.53 -1.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.34 1h37 h ILE 117 Cb 0.91 1.35 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 1h37 h ILE 117 CO -0.29 0.32 -0.01 1.56 0.00 0.00 0.00 178.15 179.73 1h37 h GLN 118 N 0.30 0.41 0.00 2.37 4.20 0.76 -1.91 115.11 121.23 1h37 h GLN 118 Ca 0.08 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1h37 h GLN 118 Cb 0.48 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1h37 h GLN 118 CO 0.02 0.61 0.00 -1.13 -0.67 0.00 0.00 178.83 177.66 1h37 n SER 119 N -4.64 0.00 -0.29 1.46 3.41 0.68 -1.39 113.62 112.85 1h37 n SER 119 Ca -0.04 -0.01 0.04 0.00 -0.26 0.00 0.00 58.87 58.60 1h37 n SER 119 Cb 0.25 -0.03 0.02 0.00 -0.26 0.00 0.00 64.21 64.18 1h37 n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1h37 n GLN 120 N -1.03 1.09 0.00 4.33 1.13 -0.94 -4.96 117.38 117.00 1h37 n GLN 120 Ca 0.01 -0.83 0.00 0.00 -1.94 0.00 0.00 57.00 54.24 1h37 n GLN 120 Cb 0.01 -1.11 0.00 0.00 0.11 0.00 0.00 30.24 29.24 1h37 n GLN 120 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1h37 n GLY 121 N 0.65 0.79 7.00 1.08 0.00 -0.48 -4.44 105.19 109.79 1h37 n GLY 121 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1h37 n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h37 n GLY 122 N -1.29 -0.34 0.31 -0.02 0.00 -0.76 -3.80 105.19 99.29 1h37 n GLY 122 Ca 0.00 -1.07 0.17 0.00 0.00 0.00 0.00 46.02 45.12 1h37 n GLY 122 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1h37 h ILE 123 N 0.00 0.43 0.00 -0.61 2.10 -1.54 -2.46 117.51 115.44 1h37 h ILE 123 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1h37 h ILE 123 Cb 0.00 0.95 0.00 0.00 -1.09 0.00 0.00 36.82 36.68 1h37 h ILE 123 CO 0.00 0.00 0.00 -0.62 -1.08 0.00 0.00 178.15 176.45 1h37 n GLU 124 N -3.72 0.51 0.00 2.19 -0.58 -1.25 -2.73 120.64 115.06 1h37 n GLU 124 Ca -0.02 0.04 0.07 0.00 -0.42 0.00 0.00 57.16 56.84 1h37 n GLU 124 Cb 0.15 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 29.57 1h37 n GLU 124 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1h37 n SER 125 N -1.14 2.11 -4.87 1.62 7.64 -0.92 -4.43 113.62 113.62 1h37 n SER 125 Ca 0.14 -1.55 -0.30 0.00 1.01 0.00 0.00 58.87 58.16 1h37 n SER 125 Cb 0.12 0.07 -0.02 0.00 -1.01 0.00 0.00 64.21 63.37 1h37 n SER 125 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1h37 s SER 126 N -1.28 6.43 1.13 6.43 1.04 -1.11 -4.50 113.70 121.85 1h37 s SER 126 Ca 0.16 1.28 -0.13 0.00 0.48 0.00 0.00 55.95 57.74 1h37 s SER 126 Cb 0.12 -2.39 0.24 0.00 0.10 0.00 0.00 66.02 64.08 1h37 s SER 126 CO 0.21 -0.59 0.84 -2.11 0.98 0.00 0.00 173.24 172.57 1h37 n ARG 127 N -1.89 -2.06 -0.03 4.02 1.85 -1.26 -4.74 116.66 112.55 1h37 n ARG 127 Ca 0.04 -0.57 -0.09 0.00 -1.00 0.00 0.00 57.85 56.23 1h37 n ARG 127 Cb 0.54 -2.10 -0.03 0.00 -1.05 0.00 0.00 32.46 29.82 1h37 n ARG 127 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 1h37 h VAL 128 N -2.48 0.76 -0.38 8.89 2.07 -1.91 -2.75 116.25 120.46 1h37 h VAL 128 Ca -0.58 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.02 1h37 h VAL 128 Cb 1.33 0.76 -0.08 0.00 -1.52 0.00 0.00 31.29 31.78 1h37 h VAL 128 CO 0.46 0.00 -0.19 -0.26 0.02 0.00 0.00 177.57 177.60 1h37 h PHE 129 N -0.05 -0.48 -0.36 1.57 0.04 -1.91 0.24 116.94 115.99 1h37 h PHE 129 Ca 0.09 0.04 0.04 0.00 2.80 0.00 0.00 57.97 60.95 1h37 h PHE 129 Cb 0.18 0.27 -0.04 0.00 2.20 0.00 0.00 35.95 38.56 1h37 h PHE 129 CO -0.22 -0.27 0.13 1.15 -0.60 0.00 0.00 178.31 178.50 1h37 h THR 130 N -0.12 0.90 -0.05 -1.55 2.02 -1.88 0.36 112.91 112.58 1h37 h THR 130 Ca 0.19 -0.09 -0.07 0.00 0.77 0.00 0.00 66.41 67.20 1h37 h THR 130 Cb 0.41 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 1h37 h THR 130 CO -0.46 0.05 -0.29 0.03 0.37 0.00 0.00 175.52 175.22 1h37 h ARG 131 N 0.28 0.09 -0.13 6.66 3.08 -1.09 -2.18 114.38 121.08 1h37 h ARG 131 Ca 0.16 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 60.13 1h37 h ARG 131 Cb 0.14 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 1h37 h ARG 131 CO -0.17 0.38 -0.16 1.98 -1.07 0.00 0.00 179.97 180.93 1h37 h MET 132 N 0.08 0.34 -0.65 0.04 4.05 0.78 0.39 114.93 119.95 1h37 h MET 132 Ca 0.01 -0.19 0.05 0.00 -0.28 0.00 0.00 59.70 59.29 1h37 h MET 132 Cb 0.56 0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 31.32 1h37 h MET 132 CO 0.04 0.75 0.37 -1.49 0.23 0.00 0.00 176.91 176.81 1h37 h TRP 133 N -0.06 0.69 -0.33 1.39 4.06 -0.17 0.11 115.95 121.65 1h37 h TRP 133 Ca 0.02 0.02 -0.06 0.00 2.06 0.00 0.00 58.89 60.93 1h37 h TRP 133 Cb 0.70 -0.21 -0.02 0.00 -1.00 0.00 0.00 29.16 28.63 1h37 h TRP 133 CO 0.09 0.35 -0.07 -0.07 -3.56 0.00 0.00 178.44 175.18 1h37 h LEU 134 N 0.70 0.51 -1.03 -4.49 3.38 -1.32 -1.55 115.31 111.51 1h37 h LEU 134 Ca 0.28 -0.12 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 1h37 h LEU 134 Cb 0.14 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1h37 h LEU 134 CO -0.16 0.63 0.25 0.00 0.09 0.00 0.00 178.44 179.25 1h37 h ALA 135 N 1.43 1.23 -0.02 1.53 0.00 0.68 0.26 119.26 124.37 1h37 h ALA 135 Ca 0.10 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1h37 h ALA 135 Cb 0.43 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1h37 h ALA 135 CO 0.02 0.56 -0.21 -0.07 0.00 0.00 0.00 179.25 179.55 1h37 h LEU 136 N 0.93 0.03 -2.20 0.00 3.38 0.18 -2.09 115.31 115.54 1h37 h LEU 136 Ca 0.22 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1h37 h LEU 136 Cb 0.19 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1h37 h LEU 136 CO -0.02 0.25 0.00 1.33 0.09 0.00 0.00 178.44 180.09 1h37 n VAL 137 N -4.27 0.35 -1.01 1.22 0.24 -0.91 -0.29 118.33 113.66 1h37 n VAL 137 Ca -0.02 -0.68 0.00 0.00 -2.04 0.00 0.00 64.34 61.60 1h37 n VAL 137 Cb 0.28 1.14 0.00 0.00 -1.47 0.00 0.00 33.84 33.79 1h37 n VAL 137 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1h37 n GLY 138 N 1.42 0.51 1.46 7.63 0.00 -0.31 -3.43 105.19 112.46 1h37 n GLY 138 Ca 0.17 -0.89 0.07 0.00 0.00 0.00 0.00 46.02 45.38 1h37 n GLY 138 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1h37 n GLU 139 N -2.47 3.98 -3.64 1.61 -0.58 0.76 -4.91 120.64 115.38 1h37 n GLU 139 Ca 0.00 -3.03 -0.06 0.00 -0.42 0.00 0.00 57.16 53.65 1h37 n GLU 139 Cb 0.08 -2.08 -0.07 0.00 -0.57 0.00 0.00 31.44 28.80 1h37 n GLU 139 CO 0.00 0.00 0.00 -0.47 -0.48 0.00 0.00 177.13 176.18 1h37 s TYR 140 N -2.82 -0.39 0.14 -0.32 5.04 -1.23 -4.82 117.35 112.95 1h37 s TYR 140 Ca 0.49 0.89 -0.31 0.00 -2.44 0.00 0.00 57.07 55.70 1h37 s TYR 140 Cb 0.39 0.37 -0.09 0.00 0.35 0.00 0.00 41.96 42.97 1h37 s TYR 140 CO 0.13 -0.19 1.51 -1.25 -1.34 0.00 0.00 175.55 174.40 1h37 s PRO 141 N 0.47 4.25 0.42 4.97 0.04 -1.26 -4.11 135.00 139.78 1h37 s PRO 141 Ca 0.01 2.25 0.10 0.00 0.04 0.00 0.00 61.00 63.39 1h37 s PRO 141 Cb -0.05 -3.23 0.91 0.00 0.04 0.00 0.00 34.50 32.17 1h37 s PRO 141 CO -0.10 -0.56 2.02 -1.49 0.04 0.00 0.00 177.00 176.91 1h37 h TRP 142 N 6.94 0.31 -0.15 0.56 4.06 -1.95 -2.49 115.95 123.23 1h37 h TRP 142 Ca -0.42 -0.01 0.04 0.00 2.06 0.00 0.00 58.89 60.56 1h37 h TRP 142 Cb 1.21 -0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 29.26 1h37 h TRP 142 CO 0.66 0.28 0.23 0.93 -3.56 0.00 0.00 178.44 176.98 1h37 h GLU 143 N 0.31 0.00 -0.41 0.49 3.07 -2.00 -0.36 114.58 115.67 1h37 h GLU 143 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 1h37 h GLU 143 Cb 0.12 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.03 1h37 h GLU 143 CO -0.00 0.00 0.00 1.63 -1.40 0.00 0.00 179.01 179.24 1h37 n LYS 144 N -3.53 2.27 -3.89 2.33 5.02 -0.94 -4.89 118.16 114.54 1h37 n LYS 144 Ca 0.01 -1.94 -0.35 0.00 -2.02 0.00 0.00 58.31 54.01 1h37 n LYS 144 Cb 0.34 -1.46 -0.10 0.00 -0.02 0.00 0.00 35.03 33.79 1h37 n LYS 144 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1h37 s VAL 145 N -1.46 4.93 -0.05 -0.18 1.01 -0.15 -5.04 120.40 119.46 1h37 s VAL 145 Ca 0.37 0.02 -0.38 0.00 0.00 0.00 0.00 61.98 61.99 1h37 s VAL 145 Cb 0.21 -3.25 -0.16 0.00 0.00 0.00 0.00 36.38 33.18 1h37 s VAL 145 CO 0.28 0.43 1.50 -2.65 0.00 0.00 0.00 175.10 174.66 1h37 n PRO 146 N 3.79 1.16 -2.93 2.72 -0.02 -1.26 -4.91 135.00 133.55 1h37 n PRO 146 Ca -0.16 0.42 -0.39 0.00 -2.02 0.00 0.00 63.50 61.35 1h37 n PRO 146 Cb 0.52 -2.08 -0.06 0.00 -0.02 0.00 0.00 33.50 31.86 1h37 n PRO 146 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1h37 s MET 147 N 1.66 4.57 -0.21 -0.52 1.75 -1.26 -4.82 119.30 120.46 1h37 s MET 147 Ca 0.90 1.19 -0.05 0.00 -1.25 0.00 0.00 55.69 56.48 1h37 s MET 147 Cb -1.00 -3.13 0.07 0.00 2.84 0.00 0.00 34.83 33.62 1h37 s MET 147 CO 0.54 0.49 0.10 0.08 -0.65 0.00 0.00 175.02 175.58 1h37 s VAL 148 N -1.29 -0.07 0.39 10.11 1.01 -1.26 -4.90 120.40 124.40 1h37 s VAL 148 Ca 0.40 -0.38 -0.20 0.00 0.00 0.00 0.00 61.98 61.80 1h37 s VAL 148 Cb -0.22 -0.72 -0.10 0.00 0.00 0.00 0.00 36.38 35.33 1h37 s VAL 148 CO 0.26 -0.43 0.90 -2.16 0.00 0.00 0.00 175.10 173.67 1h37 s PRO 149 N 2.12 4.22 0.40 2.72 0.04 -1.26 -4.28 135.00 138.96 1h37 s PRO 149 Ca 0.04 1.05 0.10 0.00 0.04 0.00 0.00 61.00 62.23 1h37 s PRO 149 Cb -0.16 -2.31 0.90 0.00 0.04 0.00 0.00 34.50 32.97 1h37 s PRO 149 CO -0.18 0.05 1.97 -1.35 0.04 0.00 0.00 177.00 177.52 1h37 h PRO 150 N 2.15 0.54 0.00 0.56 0.11 -1.92 -1.51 132.00 131.93 1h37 h PRO 150 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1h37 h PRO 150 Cb 1.18 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1h37 h PRO 150 CO 0.62 0.36 0.16 0.93 -0.21 0.00 0.00 178.00 179.86 1h37 h GLU 151 N 0.56 0.00 0.00 1.05 3.07 -1.93 0.13 114.58 117.46 1h37 h GLU 151 Ca 0.30 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.16 1h37 h GLU 151 Cb 0.43 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 1h37 h GLU 151 CO -0.09 0.00 0.00 0.97 -1.40 0.00 0.00 179.01 178.49 1h37 h ILE 152 N 0.00 0.00 0.00 3.13 2.10 -1.66 -0.19 117.51 120.88 1h37 h ILE 152 Ca 0.00 -0.03 0.00 0.00 1.08 0.00 0.00 64.86 65.91 1h37 h ILE 152 Cb 0.32 0.87 0.00 0.00 -1.09 0.00 0.00 36.82 36.92 1h37 h ILE 152 CO 0.00 0.00 0.00 0.24 -1.08 0.00 0.00 178.15 177.31 1h37 h MET 153 N 0.00 0.00 0.00 2.19 2.86 -0.97 -3.00 114.93 116.01 1h37 h MET 153 Ca 0.00 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.55 1h37 h MET 153 Cb 0.03 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1h37 h MET 153 CO 0.00 0.00 -0.64 0.74 1.06 0.00 0.00 176.91 178.07 1h37 h PHE 154 N 0.00 0.00 -2.11 -0.22 0.04 -1.25 -3.47 116.94 109.93 1h37 h PHE 154 Ca 0.00 0.00 -0.61 0.00 2.80 0.00 0.00 57.97 60.16 1h37 h PHE 154 Cb 0.33 0.00 0.05 0.00 2.20 0.00 0.00 35.95 38.53 1h37 h PHE 154 CO 0.00 0.39 0.75 1.28 -0.60 0.00 0.00 178.31 180.14 1h37 n LEU 155 N -3.09 2.80 -4.77 1.54 4.77 -1.13 -4.95 117.00 112.16 1h37 n LEU 155 Ca -0.00 1.08 -0.30 0.00 -0.03 0.00 0.00 56.01 56.76 1h37 n LEU 155 Cb 0.71 -1.37 0.10 0.00 -2.33 0.00 0.00 43.42 40.54 1h37 n LEU 155 CO 0.40 -0.43 0.70 -0.83 -1.33 0.00 0.00 177.39 175.89 1h37 s GLY 156 N 1.16 1.63 0.35 -0.72 0.00 -1.26 -4.73 107.32 103.75 1h37 s GLY 156 Ca 0.82 -0.10 0.17 0.00 0.00 0.00 0.00 44.72 45.61 1h37 s GLY 156 CO 0.42 0.34 1.61 0.50 0.00 0.00 0.00 173.10 175.96 1h37 h LYS 157 N -1.22 0.10 -3.08 2.90 1.57 -2.00 -2.90 116.57 111.95 1h37 h LYS 157 Ca -0.47 -0.01 -0.64 0.00 -1.87 0.00 0.00 60.65 57.67 1h37 h LYS 157 Cb 1.27 -0.02 -0.41 0.00 0.08 0.00 0.00 32.23 33.15 1h37 h LYS 157 CO 0.57 0.07 -0.47 2.89 -0.57 0.00 0.00 179.45 181.93 1h37 n ARG 158 N -5.22 2.04 -3.66 3.15 0.00 -1.26 -4.90 116.66 106.82 1h37 n ARG 158 Ca 0.34 -4.50 -0.15 0.00 -0.00 0.00 0.00 57.85 53.54 1h37 n ARG 158 Cb 1.14 -2.31 -0.08 0.00 -0.00 0.00 0.00 32.46 31.21 1h37 n ARG 158 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 1h37 s MET 159 N -1.52 0.81 0.18 2.89 -1.94 -1.09 -5.10 119.30 113.52 1h37 s MET 159 Ca 0.26 0.14 -0.33 0.00 -1.71 0.00 0.00 55.69 54.05 1h37 s MET 159 Cb -0.04 0.38 -0.14 0.00 2.01 0.00 0.00 34.83 37.04 1h37 s MET 159 CO -0.15 -0.22 1.45 -0.35 -0.01 0.00 0.00 175.02 175.73 1h37 n PRO 160 N 1.39 1.89 -1.35 2.03 -0.04 -1.26 -2.07 135.00 135.59 1h37 n PRO 160 Ca -0.19 0.68 -0.12 0.00 -0.04 0.00 0.00 63.50 63.83 1h37 n PRO 160 Cb 0.56 -2.37 -0.05 0.00 -0.04 0.00 0.00 33.50 31.61 1h37 n PRO 160 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1h37 n LEU 161 N 2.71 -0.63 -4.76 1.53 4.77 -1.26 -4.99 117.00 114.37 1h37 n LEU 161 Ca 0.15 0.30 -0.34 0.00 -0.03 0.00 0.00 56.01 56.08 1h37 n LEU 161 Cb 0.28 -2.32 0.05 0.00 -2.33 0.00 0.00 43.42 39.10 1h37 n LEU 161 CO 0.63 -0.86 0.78 0.54 -1.33 0.00 0.00 177.39 177.15 1h37 s ASN 162 N -2.58 5.01 0.00 -1.43 2.20 -0.88 -4.85 114.94 112.41 1h37 s ASN 162 Ca 0.00 2.21 0.00 0.00 -0.94 0.00 0.00 52.86 54.13 1h37 s ASN 162 Cb 0.00 -2.58 0.00 0.00 -2.00 0.00 0.00 41.25 36.67 1h37 s ASN 162 CO 0.00 -1.70 0.92 2.30 -2.94 0.00 0.00 177.10 175.68 1h37 n ILE 163 N -2.10 1.69 0.15 0.54 -5.35 -1.26 -1.43 119.36 111.59 1h37 n ILE 163 Ca 0.12 0.44 0.09 0.00 -0.27 0.00 0.00 62.75 63.14 1h37 n ILE 163 Cb 0.51 -1.44 0.26 0.00 -1.74 0.00 0.00 39.64 37.22 1h37 n ILE 163 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1h37 n TYR 164 N -1.42 0.78 0.67 4.28 4.01 -1.26 -3.50 117.16 120.71 1h37 n TYR 164 Ca 0.00 -0.39 0.11 0.00 -0.16 0.00 0.00 57.90 57.46 1h37 n TYR 164 Cb 0.02 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.02 1h37 n TYR 164 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1h37 n GLU 165 N 1.21 0.22 -2.86 -0.72 1.02 -0.51 -4.93 120.64 114.06 1h37 n GLU 165 Ca 0.19 -0.03 -0.25 0.00 -0.02 0.00 0.00 57.16 57.06 1h37 n GLU 165 Cb 0.49 -1.55 0.01 0.00 -0.02 0.00 0.00 31.44 30.37 1h37 n GLU 165 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 1h37 s PHE 166 N -3.16 3.33 0.53 -0.32 0.40 -1.23 -4.60 117.98 112.93 1h37 s PHE 166 Ca 0.04 0.43 -0.18 0.00 -0.60 0.00 0.00 56.93 56.62 1h37 s PHE 166 Cb 0.15 -2.34 -0.06 0.00 0.51 0.00 0.00 43.02 41.28 1h37 s PHE 166 CO 0.83 -0.37 1.04 0.20 0.70 0.00 0.00 175.22 177.62 1h37 s GLY 167 N -4.19 2.32 0.25 4.36 0.00 0.55 -4.74 107.32 105.87 1h37 s GLY 167 Ca 0.48 0.49 -0.07 0.00 0.00 0.00 0.00 44.72 45.63 1h37 s GLY 167 CO 0.40 0.81 1.63 1.48 0.00 0.00 0.00 173.10 177.42 1h37 h SER 168 N 1.04 -0.37 -0.21 1.64 4.64 -1.95 0.41 113.55 118.75 1h37 h SER 168 Ca -0.48 0.20 -0.04 0.00 -0.47 0.00 0.00 61.79 61.00 1h37 h SER 168 Cb 1.22 0.36 -0.02 0.00 -0.31 0.00 0.00 62.40 63.65 1h37 h SER 168 CO 0.58 -0.19 0.00 4.11 -0.87 0.00 0.00 176.83 180.47 1h37 h TRP 169 N 0.09 0.49 0.16 4.77 0.09 -1.96 -3.05 115.95 116.54 1h37 h TRP 169 Ca 0.42 -0.04 -0.29 0.00 0.09 0.00 0.00 58.89 59.07 1h37 h TRP 169 Cb 0.75 -0.14 0.01 0.00 0.08 0.00 0.00 29.16 29.86 1h37 h TRP 169 CO -0.43 0.49 -1.32 0.00 0.09 0.00 0.00 178.44 177.26 1h37 h ALA 170 N 1.55 0.05 0.08 0.11 0.00 -1.43 -3.35 119.26 116.27 1h37 h ALA 170 Ca 0.10 -0.90 0.02 0.00 0.00 0.00 0.00 54.91 54.13 1h37 h ALA 170 Cb 0.30 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1h37 h ALA 170 CO 0.01 0.93 -0.44 -0.09 0.00 0.00 0.00 179.25 179.66 1h37 h ARG 171 N 0.09 -0.62 -0.56 0.00 2.43 -0.88 -0.39 114.38 114.44 1h37 h ARG 171 Ca -0.17 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 1h37 h ARG 171 Cb 2.02 0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 31.69 1h37 h ARG 171 CO 0.22 -0.41 0.31 0.00 -1.51 0.00 0.00 179.97 178.57 1h37 h ALA 172 N -0.19 1.48 -0.63 2.80 0.00 -1.74 -1.76 119.26 119.22 1h37 h ALA 172 Ca 0.03 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 1h37 h ALA 172 Cb 0.69 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1h37 h ALA 172 CO -0.28 0.43 0.21 1.15 0.00 0.00 0.00 179.25 180.76 1h37 h THR 173 N 0.78 1.25 -0.15 0.00 2.02 -1.56 -1.60 112.91 113.65 1h37 h THR 173 Ca 0.20 -0.83 -0.01 0.00 0.77 0.00 0.00 66.41 66.55 1h37 h THR 173 Cb 0.02 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.01 1h37 h THR 173 CO -0.03 0.32 0.06 0.58 0.37 0.00 0.00 175.52 176.81 1h37 h VAL 174 N 0.91 1.15 -0.45 3.16 2.07 -0.47 -1.45 116.25 121.17 1h37 h VAL 174 Ca 0.21 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1h37 h VAL 174 Cb 0.28 1.19 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1h37 h VAL 174 CO -0.01 0.14 0.30 0.58 0.02 0.00 0.00 177.57 178.60 1h37 h VAL 175 N 0.09 1.12 -0.31 2.57 2.07 -1.18 -0.44 116.25 120.15 1h37 h VAL 175 Ca 0.05 -0.21 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 1h37 h VAL 175 Cb 0.17 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1h37 h VAL 175 CO -0.00 0.11 0.09 0.00 0.02 0.00 0.00 177.57 177.79 1h37 h ALA 176 N 1.17 0.41 0.00 1.67 0.00 -1.24 -2.97 119.26 118.30 1h37 h ALA 176 Ca 0.17 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1h37 h ALA 176 Cb -0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1h37 h ALA 176 CO -0.04 0.05 -0.32 -0.07 0.00 0.00 0.00 179.25 178.88 1h37 h LEU 177 N 0.35 0.00 -1.40 0.00 3.38 -1.07 -2.79 115.31 113.78 1h37 h LEU 177 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1h37 h LEU 177 Cb 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1h37 h LEU 177 CO -0.00 0.32 0.25 0.77 0.09 0.00 0.00 178.44 179.88 1h37 h SER 178 N 0.00 0.59 -0.24 -0.43 4.64 -0.91 0.69 113.55 117.88 1h37 h SER 178 Ca -0.00 -0.04 -0.20 0.00 -0.47 0.00 0.00 61.79 61.08 1h37 h SER 178 Cb 0.62 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 1h37 h SER 178 CO 0.04 0.49 -0.62 0.40 -0.87 0.00 0.00 176.83 176.27 1h37 h ILE 179 N 0.67 1.27 0.10 0.95 2.04 -1.53 -1.29 117.51 119.73 1h37 h ILE 179 Ca 0.17 -1.80 -0.01 0.00 1.00 0.00 0.00 64.86 64.23 1h37 h ILE 179 Cb 0.03 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1h37 h ILE 179 CO -0.03 0.58 -0.05 0.58 0.00 0.00 0.00 178.15 179.24 1h37 h VAL 180 N 0.63 1.06 0.00 1.67 2.07 -1.12 -2.72 116.25 117.85 1h37 h VAL 180 Ca -0.00 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1h37 h VAL 180 Cb 1.23 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 1h37 h VAL 180 CO 0.13 0.15 0.00 0.24 0.02 0.00 0.00 177.57 178.11 1h37 h MET 181 N -0.43 0.00 -0.23 1.57 2.86 0.27 0.30 114.93 119.27 1h37 h MET 181 Ca -0.01 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.48 1h37 h MET 181 Cb 0.36 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1h37 h MET 181 CO 0.02 0.00 -0.45 1.03 1.06 0.00 0.00 176.91 178.58 1h37 h SER 182 N 0.00 0.64 0.00 1.22 0.87 -0.91 -3.24 113.55 112.12 1h37 h SER 182 Ca 0.00 -0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 1h37 h SER 182 Cb 0.34 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1h37 h SER 182 CO 0.00 0.99 -1.43 0.54 -0.53 0.00 0.00 176.83 176.41 1h37 n ARG 183 N -4.01 0.69 -3.69 2.24 5.12 -0.84 -5.03 116.66 111.13 1h37 n ARG 183 Ca -0.02 -0.10 -0.25 0.00 -1.93 0.00 0.00 57.85 55.55 1h37 n ARG 183 Cb 0.55 -1.43 0.00 0.00 -1.16 0.00 0.00 32.46 30.42 1h37 n ARG 183 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1h37 n GLN 184 N -1.84 -1.49 -2.24 5.56 6.02 0.10 -4.92 117.38 118.58 1h37 n GLN 184 Ca -0.00 0.75 -0.30 0.00 -0.01 0.00 0.00 57.00 57.44 1h37 n GLN 184 Cb 0.41 -2.05 -0.01 0.00 1.02 0.00 0.00 30.24 29.61 1h37 n GLN 184 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1h37 s PRO 185 N -4.56 3.68 -0.06 -1.09 0.04 -1.26 -5.09 135.00 126.67 1h37 s PRO 185 Ca 0.04 0.66 -0.02 0.00 0.04 0.00 0.00 61.00 61.71 1h37 s PRO 185 Cb -0.00 -2.18 0.03 0.00 0.04 0.00 0.00 34.50 32.39 1h37 s PRO 185 CO 0.84 -0.38 0.05 0.08 0.04 0.00 0.00 177.00 177.63 1h37 s VAL 186 N -2.89 0.03 -0.62 -0.36 1.01 -1.26 -4.54 120.40 111.77 1h37 s VAL 186 Ca 0.54 0.28 -0.03 0.00 0.00 0.00 0.00 61.98 62.77 1h37 s VAL 186 Cb -0.11 -0.30 0.16 0.00 0.00 0.00 0.00 36.38 36.13 1h37 s VAL 186 CO 0.45 0.15 0.43 -0.36 0.00 0.00 0.00 175.10 175.78 1h37 s PHE 187 N 2.11 3.41 0.27 5.22 0.08 0.60 -4.96 117.98 124.72 1h37 s PHE 187 Ca 0.05 -2.71 -0.30 0.00 0.12 0.00 0.00 56.93 54.09 1h37 s PHE 187 Cb -0.12 -3.20 -0.14 0.00 -0.57 0.00 0.00 43.02 38.99 1h37 s PHE 187 CO -0.04 -0.84 1.25 -2.30 -0.10 0.00 0.00 175.22 173.18 1h37 n PRO 188 N 3.51 1.78 -3.17 0.24 -0.02 -1.25 -4.17 135.00 131.93 1h37 n PRO 188 Ca 0.08 0.63 -0.30 0.00 -2.02 0.00 0.00 63.50 61.89 1h37 n PRO 188 Cb 0.38 -2.18 -0.04 0.00 -0.02 0.00 0.00 33.50 31.65 1h37 n PRO 188 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1h37 s LEU 189 N -0.04 3.99 0.67 2.45 1.43 -1.22 -5.05 118.68 120.91 1h37 s LEU 189 Ca 0.63 0.92 -0.15 0.00 -1.03 0.00 0.00 54.13 54.50 1h37 s LEU 189 Cb -0.67 -3.75 0.01 0.00 0.03 0.00 0.00 46.19 41.81 1h37 s LEU 189 CO 0.56 -0.25 1.13 -2.16 0.23 0.00 0.00 176.35 175.85 1h37 s PRO 190 N -3.54 2.68 0.29 1.29 0.04 -1.26 -4.81 135.00 129.69 1h37 s PRO 190 Ca 0.47 1.47 0.03 0.00 0.04 0.00 0.00 61.00 63.02 1h37 s PRO 190 Cb -0.11 -1.93 0.72 0.00 0.04 0.00 0.00 34.50 33.23 1h37 s PRO 190 CO 0.29 -1.36 1.68 0.93 0.04 0.00 0.00 177.00 178.58 1h37 h GLU 191 N -0.00 0.32 -0.54 4.56 3.07 -1.98 0.69 114.58 120.69 1h37 h GLU 191 Ca -0.47 -0.02 0.16 0.00 -0.50 0.00 0.00 59.36 58.53 1h37 h GLU 191 Cb 1.26 -0.07 -0.02 0.00 -0.84 0.00 0.00 28.75 29.07 1h37 h GLU 191 CO 0.53 0.21 0.62 -0.09 -1.40 0.00 0.00 179.01 178.88 1h37 h ARG 192 N 0.33 0.00 -0.01 2.33 2.43 -1.98 -2.15 114.38 115.32 1h37 h ARG 192 Ca 0.56 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.73 1h37 h ARG 192 Cb 1.09 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 1h37 h ARG 192 CO -0.57 0.00 -0.06 0.00 -1.51 0.00 0.00 179.97 177.83 1h37 n ALA 193 N -2.29 2.59 -1.64 2.80 0.00 0.23 -4.94 120.51 117.25 1h37 n ALA 193 Ca 0.11 -0.55 -0.44 0.00 0.00 0.00 0.00 53.44 52.56 1h37 n ALA 193 Cb 0.82 -0.38 -0.02 0.00 0.00 0.00 0.00 19.45 19.88 1h37 n ALA 193 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1h37 n ARG 194 N 0.39 1.76 -2.39 0.00 5.12 -0.81 -4.79 116.66 115.93 1h37 n ARG 194 Ca 0.06 0.62 -0.28 0.00 -1.93 0.00 0.00 57.85 56.32 1h37 n ARG 194 Cb 0.26 -2.14 0.01 0.00 -1.16 0.00 0.00 32.46 29.43 1h37 n ARG 194 CO 0.00 0.00 0.00 1.33 -1.93 0.00 0.00 177.63 177.03 1h37 n VAL 195 N 0.73 2.48 -0.07 1.55 0.24 -1.26 -4.83 118.33 117.17 1h37 n VAL 195 Ca 0.09 -4.81 0.16 0.00 -2.04 0.00 0.00 64.34 57.74 1h37 n VAL 195 Cb 0.33 -1.25 0.58 0.00 -1.47 0.00 0.00 33.84 32.02 1h37 n VAL 195 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1h37 h PRO 196 N 2.57 0.23 0.00 7.34 0.13 -1.95 -1.14 132.00 139.18 1h37 h PRO 196 Ca 0.33 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.44 1h37 h PRO 196 Cb 0.91 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.99 1h37 h PRO 196 CO 0.89 0.15 0.34 1.05 -0.23 0.00 0.00 178.00 180.21 1h37 h GLU 197 N 0.24 0.00 0.00 0.86 9.09 -1.97 0.17 114.58 122.97 1h37 h GLU 197 Ca 0.29 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.70 1h37 h GLU 197 Cb 0.80 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.90 1h37 h GLU 197 CO -0.06 0.00 0.00 1.28 0.05 0.00 0.00 179.01 180.28 1h37 n LEU 198 N -2.39 0.06 -0.08 3.06 4.77 -0.43 -2.54 117.00 119.45 1h37 n LEU 198 Ca -0.01 0.51 -0.05 0.00 -0.03 0.00 0.00 56.01 56.43 1h37 n LEU 198 Cb 0.37 -0.51 -0.16 0.00 -2.33 0.00 0.00 43.42 40.80 1h37 n LEU 198 CO 0.08 -0.26 -1.06 -1.22 -1.33 0.00 0.00 177.39 173.60 1h37 n TYR 199 N -1.56 0.00 -1.66 -1.77 4.01 0.59 -1.42 117.16 115.35 1h37 n TYR 199 Ca 0.04 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.61 1h37 n TYR 199 Cb 0.18 -0.87 -0.10 0.00 -0.31 0.00 0.00 39.34 38.24 1h37 n TYR 199 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1h37 s GLU 200 N -2.70 1.43 -0.10 -0.72 2.02 -1.05 -4.83 118.70 112.74 1h37 s GLU 200 Ca -0.09 -0.29 -0.22 0.00 0.02 0.00 0.00 54.97 54.39 1h37 s GLU 200 Cb 0.08 -4.96 0.05 0.00 0.10 0.00 0.00 34.13 29.39 1h37 s GLU 200 CO 0.83 -5.07 0.53 0.99 0.02 0.00 0.00 175.26 172.56 1h37 s THR 201 N 15.79 0.02 -0.15 3.63 2.01 -1.26 -4.90 115.64 130.78 1h37 s THR 201 Ca 0.82 -0.13 0.10 0.00 0.31 0.00 0.00 61.69 62.79 1h37 s THR 201 Cb -0.06 -0.80 -0.23 0.00 0.01 0.00 0.00 72.50 71.41 1h37 s THR 201 CO 0.15 -0.07 0.26 -0.90 -0.69 0.00 0.00 174.62 173.36 1h37 n ASP 202 N 1.75 0.94 -4.49 3.53 5.75 -1.26 -4.96 116.55 117.81 1h37 n ASP 202 Ca -0.18 0.14 -0.46 0.00 -0.01 0.00 0.00 54.79 54.29 1h37 n ASP 202 Cb 0.56 0.13 -0.02 0.00 -1.03 0.00 0.00 41.12 40.77 1h37 n ASP 202 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1h37 n VAL 203 N -3.04 1.95 -2.26 2.12 0.31 -1.26 -4.85 118.33 111.29 1h37 n VAL 203 Ca -0.30 -0.50 -0.42 0.00 -0.01 0.00 0.00 64.34 63.11 1h37 n VAL 203 Cb 1.08 -0.50 -0.03 0.00 -0.91 0.00 0.00 33.84 33.48 1h37 n VAL 203 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1h37 s PRO 204 N -1.31 4.38 0.02 5.55 0.04 -1.26 -4.58 135.00 137.85 1h37 s PRO 204 Ca 0.61 1.97 -0.30 0.00 0.04 0.00 0.00 61.00 63.32 1h37 s PRO 204 Cb -0.79 -3.27 -0.08 0.00 0.04 0.00 0.00 34.50 30.40 1h37 s PRO 204 CO 0.58 -0.33 1.88 -1.25 0.04 0.00 0.00 177.00 177.92 1h37 s PRO 205 N 0.79 4.15 -0.77 0.56 0.04 -1.26 -4.62 135.00 133.89 1h37 s PRO 205 Ca 0.61 2.51 -0.11 0.00 0.04 0.00 0.00 61.00 64.04 1h37 s PRO 205 Cb -0.34 -4.06 0.20 0.00 0.04 0.00 0.00 34.50 30.34 1h37 s PRO 205 CO 0.32 -0.91 0.68 -0.98 0.04 0.00 0.00 177.00 176.15 1h37 s ARG 206 N 4.16 3.34 0.13 4.56 1.70 -1.26 -4.97 118.95 126.61 1h37 s ARG 206 Ca 0.84 -2.47 -0.28 0.00 -0.47 0.00 0.00 55.73 53.35 1h37 s ARG 206 Cb -0.41 -4.25 -0.07 0.00 -0.57 0.00 0.00 34.95 29.65 1h37 s ARG 206 CO 0.38 -1.26 0.88 0.50 -1.08 0.00 0.00 175.30 174.72 1h37 s ARG 207 N 0.12 4.66 0.24 3.89 3.52 -1.26 -4.63 118.95 125.49 1h37 s ARG 207 Ca 0.17 1.32 -0.30 0.00 -0.13 0.00 0.00 55.73 56.79 1h37 s ARG 207 Cb -0.13 -3.33 -0.09 0.00 -1.56 0.00 0.00 34.95 29.84 1h37 s ARG 207 CO -0.07 0.36 0.95 0.50 -0.81 0.00 0.00 175.30 176.23 1h37 s ARG 208 N -0.48 4.84 0.53 5.12 3.52 -1.26 -5.06 118.95 126.16 1h37 s ARG 208 Ca 0.42 1.51 0.07 0.00 -0.13 0.00 0.00 55.73 57.60 1h37 s ARG 208 Cb -0.23 -3.28 0.05 0.00 -1.56 0.00 0.00 34.95 29.93 1h37 s ARG 208 CO 0.28 0.49 0.55 0.20 -0.81 0.00 0.00 175.30 176.02 1h37 s GLY 209 N -1.13 2.08 0.30 8.12 0.00 -1.26 -5.00 107.32 110.44 1h37 s GLY 209 Ca 0.41 -1.69 -0.28 0.00 0.00 0.00 0.00 44.72 43.16 1h37 s GLY 209 CO 0.33 -1.80 1.06 0.00 0.00 0.00 0.00 173.10 172.69 1h37 n ALA 210 N -1.92 0.07 -0.27 3.20 0.00 -1.26 -4.63 120.51 115.70 1h37 n ALA 210 Ca 0.06 0.38 0.25 0.00 0.00 0.00 0.00 53.44 54.13 1h37 n ALA 210 Cb 0.63 -2.06 0.46 0.00 0.00 0.00 0.00 19.45 18.48 1h37 n ALA 210 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1h37 n LYS 211 N 0.68 -0.05 -0.26 0.00 4.76 -0.63 -1.54 118.16 121.11 1h37 n LYS 211 Ca 0.09 1.18 0.08 0.00 -2.87 0.00 0.00 58.31 56.79 1h37 n LYS 211 Cb 0.33 -2.08 0.17 0.00 -1.84 0.00 0.00 35.03 31.60 1h37 n LYS 211 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1h37 n GLY 212 N -1.25 4.88 0.00 0.72 0.00 -0.73 -5.07 105.19 103.75 1h37 n GLY 212 Ca 0.30 -1.18 0.00 0.00 0.00 0.00 0.00 46.02 45.15 1h37 n GLY 212 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h37 n GLY 213 N -1.27 2.29 3.30 -0.02 0.00 -0.59 -4.91 105.19 103.99 1h37 n GLY 213 Ca 0.18 -1.72 -0.35 0.00 0.00 0.00 0.00 46.02 44.13 1h37 n GLY 213 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h37 s GLY 214 N 0.00 1.63 0.26 -0.02 0.00 -1.26 -4.43 107.32 103.51 1h37 s GLY 214 Ca 0.00 -1.25 -0.29 0.00 0.00 0.00 0.00 44.72 43.18 1h37 s GLY 214 CO 0.00 0.47 0.97 -0.32 0.00 0.00 0.00 173.10 174.22 1h37 s GLY 215 N 1.46 3.05 0.58 0.20 0.00 -1.26 -4.91 107.32 106.44 1h37 s GLY 215 Ca 0.04 0.64 0.32 0.00 0.00 0.00 0.00 44.72 45.72 1h37 s GLY 215 CO -0.03 1.19 1.95 0.11 0.00 0.00 0.00 173.10 176.33 1h37 h TRP 216 N 3.88 0.00 0.01 1.90 5.08 -1.98 -1.64 115.95 123.20 1h37 h TRP 216 Ca -0.46 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.51 1h37 h TRP 216 Cb 1.20 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.36 1h37 h TRP 216 CO 0.61 0.00 -0.01 0.82 -1.28 0.00 0.00 178.44 178.58 1h37 h ILE 217 N 0.00 1.15 -0.51 0.12 5.03 -1.99 0.01 117.51 121.32 1h37 h ILE 217 Ca 0.00 -0.48 -0.10 0.00 -0.12 0.00 0.00 64.86 64.15 1h37 h ILE 217 Cb 0.36 1.48 -0.02 0.00 -3.03 0.00 0.00 36.82 35.61 1h37 h ILE 217 CO 0.00 0.12 -0.08 -0.26 -0.68 0.00 0.00 178.15 177.26 1h37 h PHE 218 N -0.23 1.05 -0.37 1.37 0.04 -1.66 0.27 116.94 117.41 1h37 h PHE 218 Ca -0.00 -0.21 0.06 0.00 2.80 0.00 0.00 57.97 60.62 1h37 h PHE 218 Cb 0.22 -0.26 -0.06 0.00 2.20 0.00 0.00 35.95 38.05 1h37 h PHE 218 CO -0.00 1.00 0.04 0.22 -0.60 0.00 0.00 178.31 178.96 1h37 h ASP 219 N 0.81 -0.07 0.13 2.17 3.58 -1.36 0.15 116.42 121.82 1h37 h ASP 219 Ca 0.13 0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.65 1h37 h ASP 219 Cb 0.63 0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.80 1h37 h ASP 219 CO 0.04 -0.00 -0.06 0.00 -2.88 0.00 0.00 179.24 176.34 1h37 h ALA 220 N 1.31 -0.17 -0.77 -0.78 0.00 -0.61 -2.57 119.26 115.66 1h37 h ALA 220 Ca 0.18 -0.10 0.18 0.00 0.00 0.00 0.00 54.91 55.17 1h37 h ALA 220 Cb 0.24 0.07 -0.12 0.00 0.00 0.00 0.00 17.79 17.97 1h37 h ALA 220 CO -0.27 -0.52 0.13 1.25 0.00 0.00 0.00 179.25 179.83 1h37 h LEU 221 N -0.32 -0.12 0.35 0.00 5.85 0.19 0.20 115.31 121.46 1h37 h LEU 221 Ca -0.02 0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1h37 h LEU 221 Cb 0.26 0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.56 1h37 h LEU 221 CO 0.03 -0.12 -0.19 -0.78 -0.34 0.00 0.00 178.44 177.04 1h37 h ASP 222 N 0.19 -0.46 -0.89 1.25 3.58 -0.54 0.95 116.42 120.51 1h37 h ASP 222 Ca 0.44 0.02 0.15 0.00 0.42 0.00 0.00 57.03 58.06 1h37 h ASP 222 Cb 0.80 0.13 -0.07 0.00 1.72 0.00 0.00 39.33 41.91 1h37 h ASP 222 CO -0.60 -0.31 0.57 0.03 -2.88 0.00 0.00 179.24 176.05 1h37 h ARG 223 N -0.51 0.65 0.62 0.28 3.08 -0.73 0.07 114.38 117.84 1h37 h ARG 223 Ca -0.04 -0.04 -0.03 0.00 0.07 0.00 0.00 59.98 59.94 1h37 h ARG 223 Cb 0.40 -0.15 0.01 0.00 0.08 0.00 0.00 29.97 30.31 1h37 h ARG 223 CO 0.06 0.43 -0.30 0.00 -1.07 0.00 0.00 179.97 179.10 1h37 h ALA 224 N 1.60 -0.83 -1.00 0.04 0.00 0.11 -2.36 119.26 116.83 1h37 h ALA 224 Ca 0.45 -0.20 0.13 0.00 0.00 0.00 0.00 54.91 55.29 1h37 h ALA 224 Cb 0.75 0.32 -0.09 0.00 0.00 0.00 0.00 17.79 18.77 1h37 h ALA 224 CO -0.20 -0.92 0.63 -0.07 0.00 0.00 0.00 179.25 178.68 1h37 h LEU 225 N -0.91 0.91 -1.22 0.00 3.38 0.66 0.12 115.31 118.25 1h37 h LEU 225 Ca -0.08 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 1h37 h LEU 225 Cb 0.66 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1h37 h LEU 225 CO 0.14 0.46 -0.30 0.45 0.09 0.00 0.00 178.44 179.28 1h37 h HIS 226 N 0.96 0.00 0.02 1.13 3.86 -0.98 0.14 115.15 120.28 1h37 h HIS 226 Ca 0.51 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.67 1h37 h HIS 226 Cb 0.55 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.02 1h37 h HIS 226 CO -0.00 0.30 -0.19 0.78 0.86 0.00 0.00 177.93 179.67 1h37 h GLY 227 N 1.67 0.11 1.23 2.45 0.00 -0.45 -3.10 103.07 104.98 1h37 h GLY 227 Ca -0.00 -0.23 0.07 0.00 0.00 0.00 0.00 47.33 47.17 1h37 h GLY 227 CO 0.04 0.20 0.35 -1.82 0.00 0.00 0.00 176.54 175.31 1h37 h TYR 228 N -0.70 0.41 -0.82 5.60 3.20 -0.62 0.80 116.97 124.85 1h37 h TYR 228 Ca -0.03 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.86 1h37 h TYR 228 Cb 1.04 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 39.13 1h37 h TYR 228 CO 0.22 0.21 0.54 0.37 -1.64 0.00 0.00 178.16 177.87 1h37 h GLN 229 N 0.40 1.07 0.00 1.82 5.75 -0.72 -2.42 115.11 121.01 1h37 h GLN 229 Ca 0.23 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.66 1h37 h GLN 229 Cb 0.39 -0.24 0.00 0.00 1.07 0.00 0.00 27.48 28.69 1h37 h GLN 229 CO -0.06 0.71 0.00 1.63 -2.65 0.00 0.00 178.83 178.46 1h37 n LYS 230 N -4.42 0.16 -0.59 1.69 5.02 0.27 -4.87 118.16 115.42 1h37 n LYS 230 Ca 0.09 0.28 -0.29 0.00 -2.02 0.00 0.00 58.31 56.38 1h37 n LYS 230 Cb 0.04 -1.75 0.23 0.00 -0.02 0.00 0.00 35.03 33.53 1h37 n LYS 230 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1h37 s LEU 231 N -4.09 1.24 0.22 -0.35 1.43 -0.91 -4.96 118.68 111.27 1h37 s LEU 231 Ca 0.08 1.64 0.23 0.00 -1.03 0.00 0.00 54.13 55.05 1h37 s LEU 231 Cb 0.11 -3.65 0.13 0.00 0.03 0.00 0.00 46.19 42.81 1h37 s LEU 231 CO 0.45 -3.97 1.19 -1.28 0.23 0.00 0.00 176.35 172.97 1h37 h SER 232 N -2.47 0.00 -2.92 2.29 0.87 -1.89 -3.46 113.55 105.98 1h37 h SER 232 Ca -0.58 -0.04 -0.21 0.00 -1.23 0.00 0.00 61.79 59.73 1h37 h SER 232 Cb 1.32 0.00 -0.32 0.00 -0.44 0.00 0.00 62.40 62.96 1h37 h SER 232 CO 0.49 0.02 -0.51 0.68 -0.53 0.00 0.00 176.83 176.98 1h37 s VAL 233 N -3.30 -0.37 -0.46 2.23 -7.23 -1.26 -5.10 120.40 104.92 1h37 s VAL 233 Ca 0.02 0.26 0.01 0.00 -1.81 0.00 0.00 61.98 60.46 1h37 s VAL 233 Cb 0.10 -0.45 0.12 0.00 0.56 0.00 0.00 36.38 36.71 1h37 s VAL 233 CO 0.76 0.11 0.21 -1.00 -0.31 0.00 0.00 175.10 174.87 1h37 s HIS 234 N 2.26 3.50 0.41 2.82 0.09 -1.26 -5.09 115.29 118.02 1h37 s HIS 234 Ca -0.00 -2.87 -0.25 0.00 -0.00 0.00 0.00 55.06 51.93 1h37 s HIS 234 Cb -0.12 -3.01 -0.11 0.00 -0.00 0.00 0.00 32.58 29.34 1h37 s HIS 234 CO -0.09 -0.88 1.12 -0.35 -0.00 0.00 0.00 174.74 174.55 1h37 n PRO 235 N 3.87 1.60 -1.23 8.40 -0.04 -1.26 -2.31 135.00 144.03 1h37 n PRO 235 Ca 0.04 0.57 -0.08 0.00 -0.04 0.00 0.00 63.50 63.99 1h37 n PRO 235 Cb 0.38 -2.17 -0.03 0.00 -0.04 0.00 0.00 33.50 31.64 1h37 n PRO 235 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1h37 n PHE 236 N -0.30 0.00 0.11 0.54 3.72 -1.26 -4.83 117.46 115.44 1h37 n PHE 236 Ca 0.08 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.31 1h37 n PHE 236 Cb 0.39 -2.44 -0.14 0.00 -0.94 0.00 0.00 39.48 36.35 1h37 n PHE 236 CO 0.00 0.00 0.00 -0.09 -0.05 0.00 0.00 176.76 176.62 1h37 h ARG 237 N 0.04 0.30 -0.83 -1.08 2.43 -1.89 -1.53 114.38 111.82 1h37 h ARG 237 Ca -0.16 -0.50 0.08 0.00 -0.81 0.00 0.00 59.98 58.58 1h37 h ARG 237 Cb 1.07 0.19 -0.07 0.00 -0.42 0.00 0.00 29.97 30.74 1h37 h ARG 237 CO 0.24 1.24 0.49 -0.09 -1.51 0.00 0.00 179.97 180.34 1h37 h ARG 238 N 0.08 0.83 0.33 0.20 2.43 -1.88 -0.81 114.38 115.56 1h37 h ARG 238 Ca -0.15 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 58.95 1h37 h ARG 238 Cb 1.99 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 31.36 1h37 h ARG 238 CO 0.21 0.55 -0.16 0.00 -1.51 0.00 0.00 179.97 179.06 1h37 h ALA 239 N 1.43 -0.45 -0.97 2.80 0.00 -1.94 -2.77 119.26 117.37 1h37 h ALA 239 Ca 0.39 -0.15 0.21 0.00 0.00 0.00 0.00 54.91 55.35 1h37 h ALA 239 Cb 0.28 0.17 -0.11 0.00 0.00 0.00 0.00 17.79 18.13 1h37 h ALA 239 CO -0.21 -0.67 0.55 0.00 0.00 0.00 0.00 179.25 178.92 1h37 h ALA 240 N -0.01 1.63 0.15 0.00 0.00 -0.53 -1.54 119.26 118.96 1h37 h ALA 240 Ca -0.05 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1h37 h ALA 240 Cb 0.45 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1h37 h ALA 240 CO 0.08 -0.18 -0.07 0.93 0.00 0.00 0.00 179.25 180.01 1h37 h GLU 241 N 0.63 -0.20 -0.67 0.00 5.08 -1.08 -2.53 114.58 115.81 1h37 h GLU 241 Ca 0.59 0.01 0.09 0.00 -1.00 0.00 0.00 59.36 59.05 1h37 h GLU 241 Cb 1.01 0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.26 1h37 h GLU 241 CO -0.44 0.03 0.44 0.82 -1.00 0.00 0.00 179.01 178.87 1h37 h ILE 242 N -0.40 0.93 -0.81 3.13 2.04 -1.13 0.29 117.51 121.55 1h37 h ILE 242 Ca -0.02 -0.19 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 1h37 h ILE 242 Cb 0.32 0.34 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 1h37 h ILE 242 CO 0.03 0.10 0.45 0.03 0.00 0.00 0.00 178.15 178.76 1h37 h ARG 243 N 0.54 1.13 -0.04 2.37 2.47 -0.99 0.23 114.38 120.09 1h37 h ARG 243 Ca 0.31 -0.13 -0.16 0.00 -1.26 0.00 0.00 59.98 58.74 1h37 h ARG 243 Cb 0.48 -0.22 0.01 0.00 -1.65 0.00 0.00 29.97 28.58 1h37 h ARG 243 CO -0.10 0.82 -0.61 0.00 0.56 0.00 0.00 179.97 180.64 1h37 h ALA 244 N 1.36 0.12 0.14 0.04 0.00 -0.49 -1.57 119.26 118.86 1h37 h ALA 244 Ca 0.29 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1h37 h ALA 244 Cb 0.02 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1h37 h ALA 244 CO -0.05 0.40 -0.07 1.25 0.00 0.00 0.00 179.25 180.78 1h37 h LEU 245 N 0.02 -0.18 -0.82 0.00 5.85 -0.26 -1.36 115.31 118.57 1h37 h LEU 245 Ca -0.07 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.67 1h37 h LEU 245 Cb 1.30 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 42.33 1h37 h LEU 245 CO 0.12 -0.12 0.54 0.44 -0.34 0.00 0.00 178.44 179.08 1h37 h ASP 246 N -0.20 0.92 -0.98 1.25 3.32 -0.64 0.18 116.42 120.27 1h37 h ASP 246 Ca -0.02 -0.02 0.09 0.00 0.02 0.00 0.00 57.03 57.10 1h37 h ASP 246 Cb 0.16 -0.23 -0.07 0.00 0.22 0.00 0.00 39.33 39.41 1h37 h ASP 246 CO 0.03 0.66 0.62 -0.25 -1.72 0.00 0.00 179.24 178.58 1h37 h TRP 247 N 1.09 1.14 0.23 4.55 7.01 -0.91 -1.51 115.95 127.55 1h37 h TRP 247 Ca 0.31 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.33 1h37 h TRP 247 Cb -0.10 -0.37 0.00 0.00 -2.10 0.00 0.00 29.16 26.60 1h37 h TRP 247 CO -0.02 0.54 -0.11 -0.07 -2.79 0.00 0.00 178.44 175.99 1h37 h LEU 248 N 1.07 -0.26 -0.90 0.65 3.38 -0.30 -3.02 115.31 115.93 1h37 h LEU 248 Ca 0.45 -0.26 0.18 0.00 0.09 0.00 0.00 57.88 58.33 1h37 h LEU 248 Cb 0.29 0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.00 1h37 h LEU 248 CO -0.21 0.19 0.47 -0.07 0.09 0.00 0.00 178.44 178.92 1h37 h LEU 249 N -0.81 0.54 -0.56 1.67 3.38 -0.76 -0.77 115.31 118.01 1h37 h LEU 249 Ca -0.03 0.11 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1h37 h LEU 249 Cb 0.51 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1h37 h LEU 249 CO 0.05 0.18 0.19 -0.33 0.09 0.00 0.00 178.44 178.62 1h37 h GLU 250 N 0.60 0.86 -0.06 1.13 5.08 -1.35 -3.23 114.58 117.61 1h37 h GLU 250 Ca 0.52 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1h37 h GLU 250 Cb 0.83 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1h37 h GLU 250 CO -0.41 0.77 0.00 0.54 -1.00 0.00 0.00 179.01 178.91 1h37 n ARG 251 N -4.46 1.55 -1.65 2.33 1.74 -0.36 -4.96 116.66 110.85 1h37 n ARG 251 Ca 0.03 -0.82 -0.45 0.00 -0.77 0.00 0.00 57.85 55.84 1h37 n ARG 251 Cb 0.19 -1.44 -0.02 0.00 -1.02 0.00 0.00 32.46 30.17 1h37 n ARG 251 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1h37 n GLN 252 N 0.01 1.86 -1.52 5.56 7.27 -0.79 -4.72 117.38 125.05 1h37 n GLN 252 Ca 0.18 0.66 -0.30 0.00 0.07 0.00 0.00 57.00 57.61 1h37 n GLN 252 Cb 0.29 -2.24 0.10 0.00 2.41 0.00 0.00 30.24 30.80 1h37 n GLN 252 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1h37 s ALA 253 N -0.42 2.15 0.37 1.69 0.00 -0.62 -4.96 121.76 119.96 1h37 s ALA 253 Ca 0.65 -0.21 0.07 0.00 0.00 0.00 0.00 51.96 52.47 1h37 s ALA 253 Cb -0.66 -3.11 0.71 0.00 0.00 0.00 0.00 23.12 20.06 1h37 s ALA 253 CO 0.54 -1.83 1.91 0.78 0.00 0.00 0.00 175.76 177.16 1h37 h GLY 254 N -1.16 0.41 -0.15 0.00 0.00 -1.87 -2.49 103.07 97.80 1h37 h GLY 254 Ca -0.47 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 46.62 1h37 h GLY 254 CO 0.59 0.22 0.00 2.09 0.00 0.00 0.00 176.54 179.44 1h37 n ASP 255 N -4.29 0.40 0.00 0.19 5.68 -1.26 -4.85 116.55 112.41 1h37 n ASP 255 Ca 0.00 -1.88 0.00 0.00 -0.50 0.00 0.00 54.79 52.42 1h37 n ASP 255 Cb 0.24 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 1h37 n ASP 255 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h37 n GLY 256 N 0.68 1.10 0.00 6.12 0.00 -0.94 -4.28 105.19 107.87 1h37 n GLY 256 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 1h37 n GLY 256 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1h37 n SER 257 N 0.00 0.00 -3.41 1.61 3.41 -1.26 -3.95 113.62 110.02 1h37 n SER 257 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 1h37 n SER 257 Cb 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 1h37 n SER 257 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1h37 s TRP 258 N 0.25 -0.58 0.00 7.33 0.51 -1.26 -1.59 118.94 123.60 1h37 s TRP 258 Ca 0.00 0.53 0.00 0.00 -2.12 0.00 0.00 56.10 54.51 1h37 s TRP 258 Cb 0.00 -0.16 0.00 0.00 -0.81 0.00 0.00 33.47 32.50 1h37 s TRP 258 CO 0.00 -0.68 0.00 0.41 -0.51 0.00 0.00 176.95 176.17 1h37 n GLY 259 N 5.34 2.19 2.17 0.98 0.00 -1.26 -3.38 105.19 111.24 1h37 n GLY 259 Ca -0.04 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.91 1h37 n GLY 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h37 n GLY 260 N -2.00 0.55 3.17 -0.02 0.00 -1.26 -5.01 105.19 100.62 1h37 n GLY 260 Ca 0.00 -0.67 -0.18 0.00 0.00 0.00 0.00 46.02 45.17 1h37 n GLY 260 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1h37 s ILE 261 N -2.30 1.09 0.11 -0.61 -4.36 -1.22 -4.34 121.20 109.57 1h37 s ILE 261 Ca 0.00 -1.34 -0.27 0.00 -0.26 0.00 0.00 60.65 58.78 1h37 s ILE 261 Cb 0.00 -1.09 -0.08 0.00 1.25 0.00 0.00 42.46 42.54 1h37 s ILE 261 CO 0.00 -0.26 1.64 -0.61 0.24 0.00 0.00 174.94 175.94 1h37 h GLN 262 N 4.21 -0.45 0.00 0.37 -0.00 -1.63 -3.27 115.11 114.34 1h37 h GLN 262 Ca -0.40 0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.28 1h37 h GLN 262 Cb 1.19 0.10 0.00 0.00 0.00 0.00 0.00 27.48 28.77 1h37 h GLN 262 CO 0.41 -0.30 0.00 -2.30 0.00 0.00 0.00 178.83 176.65 1h37 n PRO 263 N -5.38 0.00 -0.35 -2.39 -0.02 -1.26 -1.35 135.00 124.25 1h37 n PRO 263 Ca -0.06 0.50 0.10 0.00 -2.02 0.00 0.00 63.50 62.02 1h37 n PRO 263 Cb 0.29 -1.13 0.28 0.00 -0.02 0.00 0.00 33.50 32.92 1h37 n PRO 263 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1h37 h PRO 264 N 0.00 0.80 -0.22 0.52 0.13 -1.86 -1.28 132.00 130.09 1h37 h PRO 264 Ca 0.00 -0.05 0.06 0.00 -0.87 0.00 0.00 66.00 65.14 1h37 h PRO 264 Cb 0.00 -0.18 -0.07 0.00 0.13 0.00 0.00 31.00 30.88 1h37 h PRO 264 CO 0.00 0.53 -0.23 2.35 -0.23 0.00 0.00 178.00 180.42 1h37 h TRP 265 N 0.83 -0.61 -0.25 1.56 2.91 -1.57 0.67 115.95 119.49 1h37 h TRP 265 Ca 0.54 0.04 -0.01 0.00 1.13 0.00 0.00 58.89 60.58 1h37 h TRP 265 Cb 0.73 0.30 -0.01 0.00 -0.51 0.00 0.00 29.16 29.67 1h37 h TRP 265 CO -0.02 -0.31 0.12 0.74 -1.03 0.00 0.00 178.44 177.94 1h37 h PHE 266 N -0.24 0.37 -0.40 2.65 -1.00 -0.11 -2.43 116.94 115.77 1h37 h PHE 266 Ca 0.13 -0.02 -0.07 0.00 2.81 0.00 0.00 57.97 60.81 1h37 h PHE 266 Cb 0.44 -0.11 -0.02 0.00 3.61 0.00 0.00 35.95 39.87 1h37 h PHE 266 CO -0.38 0.37 -0.06 1.88 -1.61 0.00 0.00 178.31 178.50 1h37 h TYR 267 N 0.27 0.72 -0.80 -0.55 0.05 -0.79 -2.14 116.97 113.74 1h37 h TYR 267 Ca 0.09 -0.11 -0.03 0.00 0.05 0.00 0.00 58.73 58.73 1h37 h TYR 267 Cb 0.14 -0.19 -0.04 0.00 1.01 0.00 0.00 36.73 37.65 1h37 h TYR 267 CO -0.02 0.72 0.37 0.00 -1.05 0.00 0.00 178.16 178.18 1h37 h ALA 268 N 1.31 1.15 -0.57 3.88 0.00 0.51 0.15 119.26 125.69 1h37 h ALA 268 Ca 0.12 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1h37 h ALA 268 Cb 0.48 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1h37 h ALA 268 CO 0.03 0.64 0.05 -0.07 0.00 0.00 0.00 179.25 179.89 1h37 h LEU 269 N 1.14 0.94 -0.73 0.00 3.38 -1.07 -1.04 115.31 117.94 1h37 h LEU 269 Ca 0.27 -0.28 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 1h37 h LEU 269 Cb 0.13 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1h37 h LEU 269 CO -0.03 0.99 0.09 0.40 0.09 0.00 0.00 178.44 179.98 1h37 h ILE 270 N 0.87 1.26 -0.19 1.22 2.04 -0.74 -0.55 117.51 121.43 1h37 h ILE 270 Ca 0.17 -1.04 -0.01 0.00 1.00 0.00 0.00 64.86 64.99 1h37 h ILE 270 Cb 0.48 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 1h37 h ILE 270 CO 0.02 0.39 0.09 0.00 0.00 0.00 0.00 178.15 178.65 1h37 h ALA 271 N 1.09 0.24 -0.47 1.87 0.00 -0.45 -0.55 119.26 120.99 1h37 h ALA 271 Ca 0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1h37 h ALA 271 Cb 0.44 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1h37 h ALA 271 CO 0.01 -0.20 0.26 -0.07 0.00 0.00 0.00 179.25 179.25 1h37 h LEU 272 N 0.18 0.56 -0.57 0.00 3.38 -0.93 -1.65 115.31 116.28 1h37 h LEU 272 Ca 0.06 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 1h37 h LEU 272 Cb 0.11 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1h37 h LEU 272 CO -0.01 0.45 -0.17 0.50 0.09 0.00 0.00 178.44 179.30 1h37 h LYS 273 N 0.64 0.97 -0.71 1.13 1.63 -0.55 -1.86 116.57 117.83 1h37 h LYS 273 Ca 0.17 -0.38 0.02 0.00 -0.85 0.00 0.00 60.65 59.60 1h37 h LYS 273 Cb 0.01 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 31.55 1h37 h LYS 273 CO -0.03 1.05 0.45 0.82 -3.45 0.00 0.00 179.45 178.30 1h37 h ILE 274 N 0.85 1.13 -0.29 2.00 1.08 -0.21 -2.67 117.51 119.39 1h37 h ILE 274 Ca 0.12 -0.31 -0.19 0.00 -0.39 0.00 0.00 64.86 64.09 1h37 h ILE 274 Cb 0.73 0.15 -0.09 0.00 -3.07 0.00 0.00 36.82 34.54 1h37 h ILE 274 CO 0.06 0.17 0.24 0.18 -0.69 0.00 0.00 178.15 178.10 1h37 n LEU 275 N -4.63 5.45 -3.91 1.44 4.77 -0.81 -4.87 117.00 114.44 1h37 n LEU 275 Ca 0.07 -2.70 -0.24 0.00 -0.03 0.00 0.00 56.01 53.10 1h37 n LEU 275 Cb 0.05 -0.94 -0.08 0.00 -2.33 0.00 0.00 43.42 40.13 1h37 n LEU 275 CO 0.34 1.00 -0.37 0.47 -1.33 0.00 0.00 177.39 177.51 1h37 n ASP 276 N 0.55 0.68 -2.20 -1.43 8.00 -1.01 -4.83 116.55 116.32 1h37 n ASP 276 Ca 0.18 -0.99 -0.23 0.00 0.71 0.00 0.00 54.79 54.45 1h37 n ASP 276 Cb 0.64 -1.23 0.02 0.00 -0.02 0.00 0.00 41.12 40.52 1h37 n ASP 276 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1h37 n MET 277 N -3.77 3.43 0.23 -1.24 2.81 -0.71 -4.75 117.12 113.11 1h37 n MET 277 Ca -0.25 -4.22 0.13 0.00 -1.81 0.00 0.00 57.70 51.56 1h37 n MET 277 Cb 0.54 -2.22 0.31 0.00 -0.71 0.00 0.00 33.22 31.13 1h37 n MET 277 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1h37 h THR 278 N 2.46 0.00 -0.61 2.03 1.35 -1.88 -3.09 112.91 113.17 1h37 h THR 278 Ca 0.32 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1h37 h THR 278 Cb 1.34 1.85 0.00 0.00 -1.73 0.00 0.00 68.15 69.61 1h37 h THR 278 CO 0.75 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.02 1h37 n GLN 279 N -3.06 2.91 -3.37 4.72 6.02 -1.26 -4.53 117.38 118.81 1h37 n GLN 279 Ca 0.03 -2.41 -0.33 0.00 -0.01 0.00 0.00 57.00 54.28 1h37 n GLN 279 Cb 0.47 -1.65 -0.06 0.00 1.02 0.00 0.00 30.24 30.03 1h37 n GLN 279 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 1h37 s HIS 280 N -1.44 3.47 0.16 1.08 2.46 -1.17 -4.99 115.29 114.85 1h37 s HIS 280 Ca 0.44 0.96 -0.19 0.00 0.47 0.00 0.00 55.06 56.74 1h37 s HIS 280 Cb 0.25 -2.32 0.07 0.00 -0.13 0.00 0.00 32.58 30.45 1h37 s HIS 280 CO 0.26 0.29 1.65 -1.35 -2.47 0.00 0.00 174.74 173.12 1h37 h PRO 281 N 2.78 -0.11 -0.72 2.88 0.11 -1.92 -2.46 132.00 132.55 1h37 h PRO 281 Ca -0.47 0.01 0.17 0.00 0.11 0.00 0.00 66.00 65.81 1h37 h PRO 281 Cb 1.18 0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 1h37 h PRO 281 CO 0.68 -0.08 0.50 0.00 -0.21 0.00 0.00 178.00 178.89 1h37 h ALA 282 N 1.12 2.33 0.01 -0.75 0.00 -1.94 -0.69 119.26 119.34 1h37 h ALA 282 Ca 0.17 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.94 1h37 h ALA 282 Cb 0.38 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1h37 h ALA 282 CO -0.41 -0.54 -0.51 0.35 0.00 0.00 0.00 179.25 178.15 1h37 h PHE 283 N 0.24 0.50 0.20 0.00 3.04 -1.70 -1.73 116.94 117.48 1h37 h PHE 283 Ca 0.35 -0.28 -0.01 0.00 3.98 0.00 0.00 57.97 62.02 1h37 h PHE 283 Cb 1.05 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 39.50 1h37 h PHE 283 CO -0.00 1.10 -0.10 0.82 -2.02 0.00 0.00 178.31 178.11 1h37 h ILE 284 N -0.24 0.86 0.00 1.41 2.04 -1.14 0.29 117.51 120.73 1h37 h ILE 284 Ca -0.06 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 1h37 h ILE 284 Cb 1.24 1.03 -0.00 0.00 -0.74 0.00 0.00 36.82 38.35 1h37 h ILE 284 CO 0.10 0.07 -0.09 0.50 0.00 0.00 0.00 178.15 178.73 1h37 h LYS 285 N -0.41 0.00 -0.00 2.37 1.63 -1.26 -0.69 116.57 118.21 1h37 h LYS 285 Ca -0.03 0.00 -0.21 0.00 -0.85 0.00 0.00 60.65 59.57 1h37 h LYS 285 Cb 0.31 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.94 1h37 h LYS 285 CO 0.05 0.09 -0.89 0.78 -3.45 0.00 0.00 179.45 176.02 1h37 h GLY 286 N 0.44 0.32 0.35 5.01 0.00 -0.54 -2.46 103.07 106.19 1h37 h GLY 286 Ca -0.00 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 46.76 1h37 h GLY 286 CO 0.01 0.49 -0.07 -0.25 0.00 0.00 0.00 176.54 176.72 1h37 h TRP 287 N 0.16 0.08 0.00 5.60 2.91 0.60 -3.31 115.95 122.00 1h37 h TRP 287 Ca -0.06 -0.04 -0.07 0.00 1.13 0.00 0.00 58.89 59.85 1h37 h TRP 287 Cb 1.52 -0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 30.15 1h37 h TRP 287 CO 0.04 0.77 -0.35 1.05 -1.03 0.00 0.00 178.44 178.92 1h37 h GLU 288 N -0.63 0.00 -0.01 2.65 4.11 -1.28 -3.00 114.58 116.42 1h37 h GLU 288 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1h37 h GLU 288 Cb 0.79 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.04 1h37 h GLU 288 CO 0.01 0.35 0.01 0.78 0.07 0.00 0.00 179.01 180.24 1h37 h GLY 289 N 2.10 0.00 0.53 1.06 0.00 -1.52 -2.76 103.07 102.48 1h37 h GLY 289 Ca -0.00 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.45 1h37 h GLY 289 CO 0.05 0.00 0.61 1.41 0.00 0.00 0.00 176.54 178.60 1h37 h LEU 290 N 0.00 0.82 -1.43 3.11 3.38 -1.64 -2.65 115.31 116.91 1h37 h LEU 290 Ca 0.00 0.04 0.15 0.00 0.09 0.00 0.00 57.88 58.17 1h37 h LEU 290 Cb 0.02 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.59 1h37 h LEU 290 CO -0.00 0.44 0.55 -0.33 0.09 0.00 0.00 178.44 179.19 1h37 h GLU 291 N 0.89 0.53 -0.17 1.13 4.39 -1.72 -1.10 114.58 118.53 1h37 h GLU 291 Ca 0.47 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 60.19 1h37 h GLU 291 Cb 0.55 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.07 1h37 h GLU 291 CO -0.23 0.35 0.14 1.25 -1.16 0.00 0.00 179.01 179.36 1h37 h LEU 292 N 0.54 0.00 0.00 1.33 5.85 -1.69 -2.05 115.31 119.29 1h37 h LEU 292 Ca 0.42 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.14 1h37 h LEU 292 Cb 0.83 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.86 1h37 h LEU 292 CO -0.17 0.00 -0.82 1.88 -0.34 0.00 0.00 178.44 178.99 1h37 h TYR 293 N 0.00 0.00 -4.12 1.25 -1.99 -1.38 -3.47 116.97 107.26 1h37 h TYR 293 Ca 0.08 0.00 -0.49 0.00 2.00 0.00 0.00 58.73 60.32 1h37 h TYR 293 Cb 0.36 0.00 0.14 0.00 2.00 0.00 0.00 36.73 39.23 1h37 h TYR 293 CO 0.00 0.00 0.26 0.20 -0.00 0.00 0.00 178.16 178.62 1h37 s GLY 294 N -4.17 1.63 -0.14 3.88 0.00 -0.77 -1.89 107.32 105.85 1h37 s GLY 294 Ca 0.02 -0.02 -0.06 0.00 0.00 0.00 0.00 44.72 44.66 1h37 s GLY 294 CO 0.76 0.45 0.31 0.14 0.00 0.00 0.00 173.10 174.76 1h37 s VAL 295 N -2.94 -0.16 -0.13 1.40 1.01 0.31 -4.89 120.40 114.99 1h37 s VAL 295 Ca 0.63 0.16 -0.29 0.00 0.00 0.00 0.00 61.98 62.48 1h37 s VAL 295 Cb -0.18 -0.48 -0.01 0.00 0.00 0.00 0.00 36.38 35.71 1h37 s VAL 295 CO 0.57 0.07 1.11 -1.61 0.00 0.00 0.00 175.10 175.23 1h37 s GLU 296 N 1.65 4.33 -0.12 2.72 0.41 -1.26 -1.72 118.70 124.71 1h37 s GLU 296 Ca -0.07 1.50 -0.16 0.00 -0.41 0.00 0.00 54.97 55.84 1h37 s GLU 296 Cb -0.10 -3.61 -0.05 0.00 -1.78 0.00 0.00 34.13 28.59 1h37 s GLU 296 CO -0.10 -0.49 0.39 -0.51 -0.49 0.00 0.00 175.26 174.06 1h37 s LEU 297 N 2.59 4.29 0.47 1.80 1.43 0.20 -4.97 118.68 124.50 1h37 s LEU 297 Ca 0.50 0.70 0.26 0.00 -1.03 0.00 0.00 54.13 54.56 1h37 s LEU 297 Cb -0.20 -2.54 1.30 0.00 0.03 0.00 0.00 46.19 44.79 1h37 s LEU 297 CO 0.16 0.09 1.84 -2.24 0.23 0.00 0.00 176.35 176.42 1h37 h ASP 298 N 6.42 0.21 0.00 2.29 3.04 -1.96 0.23 116.42 126.65 1h37 h ASP 298 Ca -0.43 0.03 0.00 0.00 -3.24 0.00 0.00 57.03 53.40 1h37 h ASP 298 Cb 1.18 -0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.46 1h37 h ASP 298 CO 0.74 0.06 0.00 0.00 -2.04 0.00 0.00 179.24 178.00 1h37 n TYR 299 N -4.40 0.00 -0.18 4.15 0.18 -1.26 -4.81 117.16 110.84 1h37 n TYR 299 Ca 0.22 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.00 1h37 n TYR 299 Cb 0.93 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.89 1h37 n TYR 299 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 1h37 n GLY 300 N 0.47 0.78 4.00 -7.48 0.00 0.78 -5.04 105.19 98.71 1h37 n GLY 300 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 1h37 n GLY 300 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h37 s GLY 301 N -1.67 1.79 -0.10 -0.02 0.00 -1.09 -4.29 107.32 101.94 1h37 s GLY 301 Ca 0.00 -1.73 -0.05 0.00 0.00 0.00 0.00 44.72 42.95 1h37 s GLY 301 CO 0.00 -1.29 0.23 0.86 0.00 0.00 0.00 173.10 172.90 1h37 s TRP 302 N -2.85 -0.32 0.26 1.90 -0.00 -0.73 0.63 118.94 117.83 1h37 s TRP 302 Ca 0.62 0.78 0.11 0.00 -0.00 0.00 0.00 56.10 57.61 1h37 s TRP 302 Cb -0.07 -0.02 -0.05 0.00 -0.00 0.00 0.00 33.47 33.33 1h37 s TRP 302 CO 0.40 -0.26 -0.19 0.00 -0.00 0.00 0.00 176.95 176.91 1h37 s MET 303 N 1.66 1.60 -0.13 5.86 0.23 -0.70 -4.54 119.30 123.28 1h37 s MET 303 Ca -0.05 -1.73 0.01 0.00 -1.03 0.00 0.00 55.69 52.89 1h37 s MET 303 Cb -0.11 -1.62 -0.01 0.00 -1.53 0.00 0.00 34.83 31.56 1h37 s MET 303 CO -0.08 0.30 -0.16 0.12 -2.03 0.00 0.00 175.02 173.16 1h37 s PHE 304 N -2.61 2.74 0.08 3.16 2.19 -1.26 -0.53 117.98 121.75 1h37 s PHE 304 Ca 0.28 -0.89 -0.30 0.00 0.33 0.00 0.00 56.93 56.35 1h37 s PHE 304 Cb -0.04 -1.83 -0.06 0.00 -1.31 0.00 0.00 43.02 39.78 1h37 s PHE 304 CO 0.13 -0.36 1.10 -0.65 1.83 0.00 0.00 175.22 177.27 1h37 s GLN 305 N 0.53 4.53 0.52 10.12 -0.21 -0.79 -4.71 119.66 129.65 1h37 s GLN 305 Ca -0.11 1.64 0.18 0.00 0.02 0.00 0.00 55.36 57.09 1h37 s GLN 305 Cb -0.16 -3.36 1.33 0.00 1.00 0.00 0.00 33.01 31.82 1h37 s GLN 305 CO 0.04 -0.07 2.15 0.00 -2.12 0.00 0.00 175.29 175.29 1h37 h ALA 306 N 6.23 1.92 -2.28 6.09 0.00 -1.92 -3.44 119.26 125.86 1h37 h ALA 306 Ca -0.42 -0.01 0.20 0.00 0.00 0.00 0.00 54.91 54.68 1h37 h ALA 306 Cb 1.21 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.94 1h37 h ALA 306 CO 0.76 0.01 0.61 0.45 0.00 0.00 0.00 179.25 181.08 1h37 s SER 307 N -6.95 -0.07 0.02 0.00 0.15 -1.26 -1.77 113.70 103.82 1h37 s SER 307 Ca -0.05 -0.48 0.06 0.00 0.70 0.00 0.00 55.95 56.19 1h37 s SER 307 Cb 0.17 0.42 -0.02 0.00 -1.71 0.00 0.00 66.02 64.88 1h37 s SER 307 CO 0.66 -0.82 -0.18 0.27 1.20 0.00 0.00 173.24 174.37 1h37 s ILE 308 N -2.58 1.45 -0.30 6.45 -4.36 -1.26 -4.51 121.20 116.09 1h37 s ILE 308 Ca 0.18 -0.99 0.08 0.00 -0.26 0.00 0.00 60.65 59.66 1h37 s ILE 308 Cb -0.01 -1.25 0.49 0.00 1.25 0.00 0.00 42.46 42.95 1h37 s ILE 308 CO 0.03 0.23 1.44 -1.54 0.24 0.00 0.00 174.94 175.34 1h37 n SER 309 N 2.16 2.68 -0.15 4.36 3.41 -1.26 -3.41 113.62 121.40 1h37 n SER 309 Ca -0.16 -3.81 -0.07 0.00 -0.26 0.00 0.00 58.87 54.56 1h37 n SER 309 Cb 0.54 -0.62 -0.01 0.00 -0.26 0.00 0.00 64.21 63.86 1h37 n SER 309 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1h37 h PRO 310 N 1.11 -0.22 -0.03 4.33 0.13 -1.78 0.12 132.00 135.67 1h37 h PRO 310 Ca 0.22 0.01 0.01 0.00 -0.87 0.00 0.00 66.00 65.38 1h37 h PRO 310 Cb 1.55 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.71 1h37 h PRO 310 CO 0.41 -0.14 -0.04 0.28 -0.23 0.00 0.00 178.00 178.27 1h37 h VAL 311 N -0.22 0.87 -0.21 1.56 2.07 -1.73 -0.85 116.25 117.74 1h37 h VAL 311 Ca 0.19 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.75 1h37 h VAL 311 Cb 0.54 0.87 -0.04 0.00 -1.52 0.00 0.00 31.29 31.15 1h37 h VAL 311 CO -0.59 0.00 -0.05 -0.25 0.02 0.00 0.00 177.57 176.70 1h37 h TRP 312 N -0.06 -0.11 -0.26 1.57 2.91 -1.54 0.15 115.95 118.61 1h37 h TRP 312 Ca 0.03 0.02 0.02 0.00 1.13 0.00 0.00 58.89 60.08 1h37 h TRP 312 Cb 0.11 0.08 -0.02 0.00 -0.51 0.00 0.00 29.16 28.82 1h37 h TRP 312 CO -0.13 -0.09 0.13 -0.44 -1.03 0.00 0.00 178.44 176.88 1h37 h ASP 313 N 0.00 0.20 -0.41 2.65 3.32 -0.62 -2.05 116.42 119.51 1h37 h ASP 313 Ca 0.10 0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.18 1h37 h ASP 313 Cb 0.15 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 1h37 h ASP 313 CO -0.22 0.15 0.24 0.74 -1.72 0.00 0.00 179.24 178.44 1h37 h THR 314 N 0.28 1.05 -0.20 0.35 2.02 -0.69 0.14 112.91 115.86 1h37 h THR 314 Ca 0.11 -0.17 0.05 0.00 0.77 0.00 0.00 66.41 67.17 1h37 h THR 314 Cb 0.03 0.51 -0.05 0.00 -1.74 0.00 0.00 68.15 66.90 1h37 h THR 314 CO -0.07 0.09 -0.11 1.23 0.37 0.00 0.00 175.52 177.03 1h37 h GLY 315 N 0.49 0.05 0.88 2.16 0.00 -0.32 -1.28 103.07 105.06 1h37 h GLY 315 Ca 0.16 0.14 -0.10 0.00 0.00 0.00 0.00 47.33 47.53 1h37 h GLY 315 CO -0.07 -0.13 -0.26 1.41 0.00 0.00 0.00 176.54 177.50 1h37 h LEU 316 N -0.09 0.61 -0.68 3.11 3.38 -1.23 -2.81 115.31 117.60 1h37 h LEU 316 Ca 0.11 -0.49 0.14 0.00 0.09 0.00 0.00 57.88 57.73 1h37 h LEU 316 Cb 0.26 -0.17 -0.13 0.00 0.09 0.00 0.00 40.66 40.71 1h37 h LEU 316 CO -0.26 0.98 -0.14 0.00 0.09 0.00 0.00 178.44 179.12 1h37 h ALA 317 N 0.65 0.50 0.12 1.53 0.00 -0.39 0.72 119.26 122.39 1h37 h ALA 317 Ca 0.03 0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1h37 h ALA 317 Cb 0.82 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1h37 h ALA 317 CO 0.06 -0.42 -0.06 0.28 0.00 0.00 0.00 179.25 179.11 1h37 h VAL 318 N 0.02 0.94 -0.58 0.00 2.07 -1.21 -0.95 116.25 116.53 1h37 h VAL 318 Ca 0.33 -0.23 0.08 0.00 0.82 0.00 0.00 66.70 67.71 1h37 h VAL 318 Cb 0.52 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 1h37 h VAL 318 CO -0.68 0.06 0.39 -0.07 0.02 0.00 0.00 177.57 177.28 1h37 h LEU 319 N -0.27 0.39 0.08 2.57 3.38 -1.00 -0.52 115.31 119.93 1h37 h LEU 319 Ca -0.02 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1h37 h LEU 319 Cb 0.22 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1h37 h LEU 319 CO 0.03 0.24 -0.04 0.00 0.09 0.00 0.00 178.44 178.76 1h37 h ALA 320 N 1.70 -0.11 -0.12 1.53 0.00 -0.65 -1.90 119.26 119.72 1h37 h ALA 320 Ca 0.26 -0.28 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1h37 h ALA 320 Cb 0.46 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1h37 h ALA 320 CO -0.07 -0.23 0.10 -0.07 0.00 0.00 0.00 179.25 178.97 1h37 h LEU 321 N -0.77 0.00 0.07 0.00 3.38 -0.77 0.14 115.31 117.36 1h37 h LEU 321 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1h37 h LEU 321 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1h37 h LEU 321 CO 0.02 0.00 -0.04 0.03 0.09 0.00 0.00 178.44 178.54 1h37 h ARG 322 N 0.00 -0.10 -0.08 1.13 2.47 -1.10 -2.79 114.38 113.92 1h37 h ARG 322 Ca 0.06 0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.80 1h37 h ARG 322 Cb 0.25 0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.59 1h37 h ARG 322 CO -0.00 0.37 0.15 0.00 0.56 0.00 0.00 179.97 181.04 1h37 h ALA 323 N -0.45 1.46 0.00 0.04 0.00 -1.08 0.30 119.26 119.53 1h37 h ALA 323 Ca -0.01 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1h37 h ALA 323 Cb 0.51 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1h37 h ALA 323 CO 0.02 -0.19 -0.63 0.00 0.00 0.00 0.00 179.25 178.45 1h37 h ALA 324 N 1.78 0.77 0.00 0.00 0.00 -0.71 -3.36 119.26 117.74 1h37 h ALA 324 Ca 0.04 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 54.37 1h37 h ALA 324 Cb 0.33 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1h37 h ALA 324 CO -0.00 0.79 0.00 0.41 0.00 0.00 0.00 179.25 180.45 1h37 n GLY 325 N 0.68 4.02 3.35 0.00 0.00 0.10 -4.85 105.19 108.50 1h37 n GLY 325 Ca -0.00 -0.61 -0.40 0.00 0.00 0.00 0.00 46.02 45.01 1h37 n GLY 325 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1h37 n LEU 326 N 0.00 -1.72 -4.75 0.99 4.77 -1.09 -4.90 117.00 110.30 1h37 n LEU 326 Ca 0.00 0.75 -0.38 0.00 -0.03 0.00 0.00 56.01 56.36 1h37 n LEU 326 Cb 0.00 -0.99 0.04 0.00 -2.33 0.00 0.00 43.42 40.15 1h37 n LEU 326 CO 0.00 -3.89 0.95 -2.84 -1.33 0.00 0.00 177.39 170.28 1h37 s PRO 327 N -1.38 3.05 0.00 3.23 0.02 -1.26 -4.72 135.00 133.95 1h37 s PRO 327 Ca 0.62 2.15 0.07 0.00 0.02 0.00 0.00 61.00 63.86 1h37 s PRO 327 Cb -0.53 -2.17 0.35 0.00 0.02 0.00 0.00 34.50 32.17 1h37 s PRO 327 CO 0.61 -1.23 1.18 0.00 -0.33 0.00 0.00 177.00 177.23 1h37 n ALA 328 N -1.20 1.43 -1.32 -1.55 0.00 -1.26 -1.42 120.51 115.18 1h37 n ALA 328 Ca 0.11 -0.03 0.07 0.00 0.00 0.00 0.00 53.44 53.59 1h37 n ALA 328 Cb 0.46 -1.12 0.09 0.00 0.00 0.00 0.00 19.45 18.88 1h37 n ALA 328 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1h37 n ASP 329 N -1.40 1.63 -4.67 0.00 5.68 -1.26 0.74 116.55 117.27 1h37 n ASP 329 Ca 0.03 -2.73 -0.50 0.00 -0.50 0.00 0.00 54.79 51.09 1h37 n ASP 329 Cb 0.07 -0.35 -0.05 0.00 -1.14 0.00 0.00 41.12 39.65 1h37 n ASP 329 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 1h37 n HIS 330 N -0.99 2.17 -0.29 2.11 -0.00 -0.51 -4.80 115.22 112.91 1h37 n HIS 330 Ca 0.11 0.24 0.31 0.00 0.46 0.00 0.00 57.72 58.84 1h37 n HIS 330 Cb 0.65 -2.55 0.69 0.00 -0.12 0.00 0.00 29.99 28.65 1h37 n HIS 330 CO 0.00 0.00 0.00 0.38 0.46 0.00 0.00 176.34 177.18 1h37 h ASP 331 N 7.34 0.10 -0.17 0.26 2.03 -1.97 -0.31 116.42 123.70 1h37 h ASP 331 Ca -0.47 0.02 -0.22 0.00 -0.73 0.00 0.00 57.03 55.63 1h37 h ASP 331 Cb 1.28 0.00 0.01 0.00 -0.83 0.00 0.00 39.33 39.79 1h37 h ASP 331 CO 0.91 0.02 -0.74 -0.09 -1.03 0.00 0.00 179.24 178.31 1h37 h ARG 332 N 0.09 0.81 0.00 4.15 9.65 -1.98 -2.95 114.38 124.15 1h37 h ARG 332 Ca 0.54 -0.64 0.00 0.00 -1.10 0.00 0.00 59.98 58.78 1h37 h ARG 332 Cb 1.97 0.13 0.00 0.00 -1.39 0.00 0.00 29.97 30.68 1h37 h ARG 332 CO -0.07 1.25 0.00 1.28 2.80 0.00 0.00 179.97 185.23 1h37 n LEU 333 N -3.95 0.30 0.04 3.80 4.77 -0.18 -2.42 117.00 119.36 1h37 n LEU 333 Ca -0.07 0.56 -0.13 0.00 -0.03 0.00 0.00 56.01 56.33 1h37 n LEU 333 Cb 0.73 -0.49 -0.14 0.00 -2.33 0.00 0.00 43.42 41.19 1h37 n LEU 333 CO 0.53 -0.27 -0.29 0.58 -1.33 0.00 0.00 177.39 176.61 1h37 h VAL 334 N 0.00 1.19 -0.79 4.08 2.07 -1.26 -1.54 116.25 120.00 1h37 h VAL 334 Ca 0.00 -2.89 0.11 0.00 0.82 0.00 0.00 66.70 64.74 1h37 h VAL 334 Cb 0.41 2.70 -0.05 0.00 -1.52 0.00 0.00 31.29 32.83 1h37 h VAL 334 CO 0.00 0.79 0.52 0.11 0.02 0.00 0.00 177.57 179.00 1h37 h LYS 335 N 0.04 0.64 -0.00 1.57 1.79 -1.31 0.86 116.57 120.16 1h37 h LYS 335 Ca -0.21 -0.04 -0.01 0.00 -2.18 0.00 0.00 60.65 58.21 1h37 h LYS 335 Cb 1.97 -0.14 0.00 0.00 -1.58 0.00 0.00 32.23 32.47 1h37 h LYS 335 CO 0.14 0.42 -0.04 0.00 -1.08 0.00 0.00 179.45 178.89 1h37 h ALA 336 N 1.61 0.01 -0.73 3.86 0.00 -1.55 -2.84 119.26 119.63 1h37 h ALA 336 Ca 0.37 -0.38 0.11 0.00 0.00 0.00 0.00 54.91 55.01 1h37 h ALA 336 Cb 0.55 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 1h37 h ALA 336 CO -0.14 -0.10 0.35 0.78 0.00 0.00 0.00 179.25 180.14 1h37 h GLY 337 N -0.68 1.10 0.85 0.00 0.00 -0.22 0.62 103.07 104.74 1h37 h GLY 337 Ca -0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 1h37 h GLY 337 CO 0.01 0.02 0.05 0.83 0.00 0.00 0.00 176.54 177.45 1h37 h GLU 338 N 0.57 0.27 -0.76 4.80 4.39 -0.97 -2.63 114.58 120.24 1h37 h GLU 338 Ca 0.37 -0.06 0.09 0.00 0.34 0.00 0.00 59.36 60.09 1h37 h GLU 338 Cb 0.44 -0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 28.98 1h37 h GLU 338 CO -0.30 0.40 0.42 2.35 -1.16 0.00 0.00 179.01 180.71 1h37 h TRP 339 N 0.10 0.76 -0.12 4.33 7.01 -1.06 -1.83 115.95 125.14 1h37 h TRP 339 Ca 0.06 0.03 -0.07 0.00 2.11 0.00 0.00 58.89 61.01 1h37 h TRP 339 Cb 0.24 -0.23 -0.01 0.00 -2.10 0.00 0.00 29.16 27.06 1h37 h TRP 339 CO 0.00 0.32 -0.26 -0.07 -2.79 0.00 0.00 178.44 175.64 1h37 h LEU 340 N 0.73 0.21 -0.85 0.65 3.38 -0.75 -2.72 115.31 115.96 1h37 h LEU 340 Ca 0.36 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 58.16 1h37 h LEU 340 Cb 0.32 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1h37 h LEU 340 CO -0.24 0.48 -0.35 -0.07 0.09 0.00 0.00 178.44 178.35 1h37 h LEU 341 N 0.19 0.45 -0.40 1.67 3.38 -0.97 -2.30 115.31 117.34 1h37 h LEU 341 Ca 0.03 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1h37 h LEU 341 Cb 0.56 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1h37 h LEU 341 CO 0.04 0.77 0.00 0.47 0.09 0.00 0.00 178.44 179.81 1h37 n ASP 342 N -4.06 0.48 0.03 -0.43 8.00 -1.03 -3.16 116.55 116.37 1h37 n ASP 342 Ca -0.01 0.60 -0.11 0.00 0.71 0.00 0.00 54.79 55.98 1h37 n ASP 342 Cb 0.46 -0.71 -0.13 0.00 -0.02 0.00 0.00 41.12 40.72 1h37 n ASP 342 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1h37 h ARG 343 N 0.00 0.08 -6.07 -1.24 2.47 -1.34 -3.48 114.38 104.80 1h37 h ARG 343 Ca 0.00 -0.13 -0.74 0.00 -1.26 0.00 0.00 59.98 57.85 1h37 h ARG 343 Cb 0.38 0.05 0.06 0.00 -1.65 0.00 0.00 29.97 28.82 1h37 h ARG 343 CO 0.00 0.85 0.03 0.94 0.56 0.00 0.00 179.97 182.36 1h37 n GLN 344 N -3.27 0.29 -3.12 0.04 7.27 -1.19 -4.83 117.38 112.57 1h37 n GLN 344 Ca -0.12 0.10 -0.39 0.00 0.07 0.00 0.00 57.00 56.66 1h37 n GLN 344 Cb 1.01 -1.53 -0.06 0.00 2.41 0.00 0.00 30.24 32.08 1h37 n GLN 344 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 1h37 s ILE 345 N -0.14 4.75 -0.08 1.69 -1.09 -0.66 -4.99 121.20 120.69 1h37 s ILE 345 Ca 0.83 1.42 0.12 0.00 -2.23 0.00 0.00 60.65 60.79 1h37 s ILE 345 Cb -1.12 -4.01 0.18 0.00 -1.58 0.00 0.00 42.46 35.93 1h37 s ILE 345 CO 0.55 0.44 1.07 0.35 -1.23 0.00 0.00 174.94 176.12 1h37 n THR 346 N 2.43 1.33 -4.30 2.92 -2.24 -1.26 -2.55 114.28 110.61 1h37 n THR 346 Ca -0.06 -1.56 -0.21 0.00 -2.27 0.00 0.00 64.05 59.94 1h37 n THR 346 Cb 0.50 0.06 -0.12 0.00 -2.10 0.00 0.00 70.33 68.68 1h37 n THR 346 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1h37 s VAL 347 N -1.94 1.67 0.28 2.28 -7.23 -1.26 -4.76 120.40 109.44 1h37 s VAL 347 Ca 0.20 -1.76 -0.30 0.00 -1.81 0.00 0.00 61.98 58.31 1h37 s VAL 347 Cb 0.17 -1.68 -0.12 0.00 0.56 0.00 0.00 36.38 35.32 1h37 s VAL 347 CO 0.02 -0.26 1.63 -2.84 -0.31 0.00 0.00 175.10 173.33 1h37 s PRO 348 N -2.50 4.11 0.00 4.82 0.02 -1.26 -4.87 135.00 135.32 1h37 s PRO 348 Ca 0.11 2.61 0.00 0.00 0.02 0.00 0.00 61.00 63.74 1h37 s PRO 348 Cb -0.07 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.43 1h37 s PRO 348 CO 0.05 -0.67 0.00 0.41 -0.33 0.00 0.00 177.00 176.46 1h37 n GLY 349 N 2.43 3.70 0.29 0.52 0.00 -1.26 -4.87 105.19 106.00 1h37 n GLY 349 Ca 0.09 -2.15 0.15 0.00 0.00 0.00 0.00 46.02 44.12 1h37 n GLY 349 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1h37 h ASP 350 N 0.00 0.00 0.13 1.61 3.32 -1.91 -1.99 116.42 117.58 1h37 h ASP 350 Ca 0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 1h37 h ASP 350 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1h37 h ASP 350 CO 0.00 0.06 -0.07 4.11 -1.72 0.00 0.00 179.24 181.61 1h37 h TRP 351 N 0.00 0.00 0.00 4.55 5.08 -1.82 -2.06 115.95 121.70 1h37 h TRP 351 Ca -0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 1h37 h TRP 351 Cb 0.20 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.36 1h37 h TRP 351 CO 0.00 0.07 0.00 0.00 -1.28 0.00 0.00 178.44 177.23 1h37 h ALA 352 N 1.93 1.00 0.00 0.11 0.00 -1.62 -2.05 119.26 118.63 1h37 h ALA 352 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1h37 h ALA 352 Cb 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1h37 h ALA 352 CO 0.01 0.00 -0.02 0.28 0.00 0.00 0.00 179.25 179.52 1h37 h VAL 353 N 0.00 0.08 -0.01 0.00 2.07 -1.57 -2.17 116.25 114.66 1h37 h VAL 353 Ca 0.00 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.27 1h37 h VAL 353 Cb 0.07 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1h37 h VAL 353 CO 0.00 0.01 -0.09 0.29 0.02 0.00 0.00 177.57 177.80 1h37 n LYS 354 N -3.17 1.49 -3.00 1.57 4.76 -0.78 -4.75 118.16 114.28 1h37 n LYS 354 Ca -0.02 -0.65 -0.16 0.00 -2.87 0.00 0.00 58.31 54.61 1h37 n LYS 354 Cb 0.18 -1.04 -0.00 0.00 -1.84 0.00 0.00 35.03 32.32 1h37 n LYS 354 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1h37 n ARG 355 N -0.06 0.83 0.25 1.97 5.12 -0.86 -4.99 116.66 118.91 1h37 n ARG 355 Ca 0.03 -2.65 0.12 0.00 -1.93 0.00 0.00 57.85 53.43 1h37 n ARG 355 Cb 0.16 -1.36 0.75 0.00 -1.16 0.00 0.00 32.46 30.85 1h37 n ARG 355 CO 0.00 0.00 0.00 -1.35 -1.93 0.00 0.00 177.63 174.35 1h37 h PRO 356 N 3.63 0.00 -0.67 5.56 0.11 -1.73 -2.33 132.00 136.58 1h37 h PRO 356 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1h37 h PRO 356 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1h37 h PRO 356 CO 0.38 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.26 1h37 n ASN 357 N -4.23 4.33 -4.69 -2.05 5.03 -1.26 -4.91 115.26 107.48 1h37 n ASN 357 Ca -0.02 -2.29 -0.38 0.00 0.87 0.00 0.00 54.58 52.76 1h37 n ASN 357 Cb 0.15 -0.54 -0.06 0.00 -1.02 0.00 0.00 39.78 38.31 1h37 n ASN 357 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 1h37 s LEU 358 N -1.54 4.20 0.09 3.41 2.96 -0.88 -5.05 118.68 121.88 1h37 s LEU 358 Ca 0.48 0.71 -0.30 0.00 -0.22 0.00 0.00 54.13 54.80 1h37 s LEU 358 Cb 0.29 -2.68 -0.06 0.00 0.50 0.00 0.00 46.19 44.25 1h37 s LEU 358 CO 0.26 -0.09 1.11 -0.54 -1.32 0.00 0.00 176.35 175.77 1h37 s LYS 359 N 1.18 4.53 0.58 1.98 -0.14 -1.26 -5.01 119.74 121.61 1h37 s LYS 359 Ca 0.24 1.66 -0.20 0.00 -1.36 0.00 0.00 55.97 56.32 1h37 s LYS 359 Cb -0.15 -3.35 -0.04 0.00 -1.68 0.00 0.00 37.83 32.61 1h37 s LYS 359 CO 0.10 -0.08 1.16 -2.30 -0.76 0.00 0.00 175.35 173.47 1h37 n PRO 360 N 3.32 1.22 0.00 -1.68 -0.02 -1.26 -4.49 135.00 132.09 1h37 n PRO 360 Ca 0.06 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 1h37 n PRO 360 Cb 0.47 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1h37 n PRO 360 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h37 n GLY 361 N 1.04 0.00 1.07 -1.23 0.00 -1.05 -4.80 105.19 100.22 1h37 n GLY 361 Ca 0.13 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.08 1h37 n GLY 361 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h37 n GLY 362 N 0.00 -0.14 3.21 -0.02 0.00 -1.26 -3.12 105.19 103.87 1h37 n GLY 362 Ca 0.00 -1.84 -0.14 0.00 0.00 0.00 0.00 46.02 44.04 1h37 n GLY 362 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h37 s PHE 363 N -1.18 1.15 0.45 1.61 0.40 -1.26 -1.65 117.98 117.48 1h37 s PHE 363 Ca 0.20 -0.75 0.08 0.00 -0.60 0.00 0.00 56.93 55.85 1h37 s PHE 363 Cb -0.01 -0.61 0.00 0.00 0.51 0.00 0.00 43.02 42.92 1h37 s PHE 363 CO 0.13 0.02 0.46 0.00 0.70 0.00 0.00 175.22 176.53 1h37 s ALA 364 N -3.09 4.26 -0.10 5.36 0.00 -1.26 -1.23 121.76 125.70 1h37 s ALA 364 Ca 0.12 -1.80 -0.17 0.00 0.00 0.00 0.00 51.96 50.11 1h37 s ALA 364 Cb 0.01 -1.16 -0.14 0.00 0.00 0.00 0.00 23.12 21.83 1h37 s ALA 364 CO -0.00 -0.32 0.54 0.35 0.00 0.00 0.00 175.76 176.32 1h37 h PHE 365 N 0.84 -0.06 -1.76 0.00 3.57 -1.89 -3.43 116.94 114.20 1h37 h PHE 365 Ca -0.39 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.10 1h37 h PHE 365 Cb 1.28 0.02 0.00 0.00 2.79 0.00 0.00 35.95 40.04 1h37 h PHE 365 CO 0.53 0.44 0.00 0.00 -2.23 0.00 0.00 178.31 177.05 1h37 n GLN 366 N -4.76 0.53 0.20 1.11 0.00 -1.22 -2.62 117.38 110.62 1h37 n GLN 366 Ca -0.06 0.00 -0.09 0.00 0.00 0.00 0.00 57.00 56.85 1h37 n GLN 366 Cb 0.26 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.46 1h37 n GLN 366 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.06 177.80 1h37 h PHE 367 N -0.54 -0.53 -3.26 2.61 0.04 -1.91 -3.41 116.94 109.94 1h37 h PHE 367 Ca 0.00 -0.01 -0.62 0.00 2.80 0.00 0.00 57.97 60.14 1h37 h PHE 367 Cb 0.00 0.18 -0.40 0.00 2.20 0.00 0.00 35.95 37.92 1h37 h PHE 367 CO 0.00 -0.33 -0.72 0.34 -0.60 0.00 0.00 178.31 177.00 1h37 s ASP 368 N -4.84 4.12 -0.45 2.17 2.15 -1.26 -4.98 116.67 113.58 1h37 s ASP 368 Ca -0.08 -2.32 0.06 0.00 0.43 0.00 0.00 52.55 50.63 1h37 s ASP 368 Cb 0.01 -1.23 0.20 0.00 -0.30 0.00 0.00 42.92 41.60 1h37 s ASP 368 CO 0.25 -0.33 0.56 -3.20 -0.17 0.00 0.00 175.17 172.29 1h37 n ASN 369 N 3.98 -1.55 0.16 -0.34 5.15 -1.26 -3.36 115.26 118.04 1h37 n ASN 369 Ca 0.04 -2.72 0.02 0.00 -0.60 0.00 0.00 54.58 51.32 1h37 n ASN 369 Cb 0.38 0.42 0.34 0.00 -0.53 0.00 0.00 39.78 40.39 1h37 n ASN 369 CO 0.00 0.00 0.00 -0.37 1.40 0.00 0.00 177.26 178.29 1h37 h VAL 370 N 3.99 1.26 -0.00 3.44 -1.51 -1.96 -3.19 116.25 118.28 1h37 h VAL 370 Ca 0.11 -1.26 0.00 0.00 -1.23 0.00 0.00 66.70 64.33 1h37 h VAL 370 Cb 0.98 1.63 0.00 0.00 -2.13 0.00 0.00 31.29 31.77 1h37 h VAL 370 CO 0.28 0.36 -0.04 -1.22 -1.23 0.00 0.00 177.57 175.72 1h37 n TYR 371 N -4.11 0.00 -3.18 5.19 4.01 -1.26 -4.40 117.16 113.42 1h37 n TYR 371 Ca -0.02 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.51 1h37 n TYR 371 Cb 0.40 -0.25 -0.05 0.00 -0.31 0.00 0.00 39.34 39.13 1h37 n TYR 371 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1h37 n TYR 372 N -1.19 0.61 -1.62 -0.72 4.01 -1.20 -3.00 117.16 114.05 1h37 n TYR 372 Ca 0.14 -3.78 -0.31 0.00 -0.16 0.00 0.00 57.90 53.79 1h37 n TYR 372 Cb 0.25 -0.41 0.05 0.00 -0.31 0.00 0.00 39.34 38.92 1h37 n TYR 372 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1h37 s PRO 373 N -2.18 2.95 0.08 -0.72 0.04 -1.26 -4.70 135.00 129.20 1h37 s PRO 373 Ca 0.39 1.01 0.07 0.00 0.04 0.00 0.00 61.00 62.51 1h37 s PRO 373 Cb 0.28 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.80 1h37 s PRO 373 CO -0.09 -1.10 -0.18 0.16 0.04 0.00 0.00 177.00 175.83 1h37 s ASP 374 N -3.60 2.15 0.40 6.66 -4.77 -0.36 -4.64 116.67 112.51 1h37 s ASP 374 Ca 0.59 -0.62 0.08 0.00 -3.30 0.00 0.00 52.55 49.30 1h37 s ASP 374 Cb -0.15 -0.11 0.85 0.00 -1.09 0.00 0.00 42.92 42.42 1h37 s ASP 374 CO 0.52 0.02 2.00 0.58 0.70 0.00 0.00 175.17 178.99 1h37 h VAL 375 N 4.22 1.02 0.41 2.11 2.07 -1.12 -1.76 116.25 123.20 1h37 h VAL 375 Ca -0.43 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 1h37 h VAL 375 Cb 1.18 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1h37 h VAL 375 CO 0.41 0.11 -0.20 -0.78 0.02 0.00 0.00 177.57 177.13 1h37 h ASP 376 N 0.60 -0.46 -0.44 0.57 1.82 -1.85 -0.36 116.42 116.29 1h37 h ASP 376 Ca 0.25 -0.09 -0.00 0.00 -0.39 0.00 0.00 57.03 56.80 1h37 h ASP 376 Cb 0.21 0.12 -0.02 0.00 0.68 0.00 0.00 39.33 40.32 1h37 h ASP 376 CO -0.07 -0.17 0.27 0.44 -1.61 0.00 0.00 179.24 178.10 1h37 h ASP 377 N -0.76 0.53 -0.97 2.28 3.32 -1.82 -1.25 116.42 117.75 1h37 h ASP 377 Ca -0.06 -0.05 0.09 0.00 0.02 0.00 0.00 57.03 57.03 1h37 h ASP 377 Cb 0.53 -0.13 -0.07 0.00 0.22 0.00 0.00 39.33 39.87 1h37 h ASP 377 CO 0.09 0.42 0.61 0.74 -1.72 0.00 0.00 179.24 179.38 1h37 h THR 378 N 0.59 1.00 -0.17 0.35 2.02 -1.29 0.27 112.91 115.68 1h37 h THR 378 Ca 0.16 -0.36 -0.11 0.00 0.77 0.00 0.00 66.41 66.87 1h37 h THR 378 Cb -0.01 -0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.26 1h37 h THR 378 CO -0.03 0.19 -0.32 0.00 0.37 0.00 0.00 175.52 175.73 1h37 h ALA 379 N 1.48 0.27 -0.42 6.16 0.00 -0.64 -1.54 119.26 124.56 1h37 h ALA 379 Ca 0.44 -0.42 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 1h37 h ALA 379 Cb 0.30 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1h37 h ALA 379 CO -0.21 0.30 -0.33 0.28 0.00 0.00 0.00 179.25 179.29 1h37 h VAL 380 N 0.15 1.27 -0.19 0.00 2.07 -0.88 -1.89 116.25 116.78 1h37 h VAL 380 Ca 0.01 -1.51 -0.08 0.00 0.82 0.00 0.00 66.70 65.94 1h37 h VAL 380 Cb 0.92 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.98 1h37 h VAL 380 CO 0.07 0.51 -0.19 0.58 0.02 0.00 0.00 177.57 178.56 1h37 h VAL 381 N 0.79 1.33 -0.72 2.57 2.07 -0.52 -0.06 116.25 121.71 1h37 h VAL 381 Ca 0.08 -1.36 -0.03 0.00 0.82 0.00 0.00 66.70 66.21 1h37 h VAL 381 Cb 0.92 1.79 -0.03 0.00 -1.52 0.00 0.00 31.29 32.45 1h37 h VAL 381 CO 0.09 0.41 0.34 0.58 0.02 0.00 0.00 177.57 179.01 1h37 h VAL 382 N 0.13 1.24 -0.42 2.57 2.07 -1.31 -0.94 116.25 119.60 1h37 h VAL 382 Ca 0.03 -0.67 -0.06 0.00 0.82 0.00 0.00 66.70 66.82 1h37 h VAL 382 Cb 0.74 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1h37 h VAL 382 CO 0.05 0.28 0.04 -0.25 0.02 0.00 0.00 177.57 177.70 1h37 h TRP 383 N 1.01 0.77 -0.71 1.57 7.01 -1.32 -1.16 115.95 123.11 1h37 h TRP 383 Ca 0.25 -0.12 0.02 0.00 2.11 0.00 0.00 58.89 61.15 1h37 h TRP 383 Cb 0.13 -0.20 -0.04 0.00 -2.10 0.00 0.00 29.16 26.94 1h37 h TRP 383 CO 0.01 0.76 0.47 0.00 -2.79 0.00 0.00 178.44 176.89 1h37 h ALA 384 N 0.91 1.55 -0.11 2.65 0.00 -0.64 -2.01 119.26 121.61 1h37 h ALA 384 Ca 0.12 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1h37 h ALA 384 Cb 0.43 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1h37 h ALA 384 CO 0.01 0.39 -0.07 -0.07 0.00 0.00 0.00 179.25 179.51 1h37 h LEU 385 N 0.90 0.26 0.00 0.00 3.38 -0.90 -2.97 115.31 115.98 1h37 h LEU 385 Ca 0.28 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1h37 h LEU 385 Cb -0.01 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1h37 h LEU 385 CO -0.07 0.64 0.15 -3.20 0.09 0.00 0.00 178.44 176.05 1h37 n ASN 386 N -4.68 0.00 -0.79 -0.43 5.15 -0.46 0.39 115.26 114.44 1h37 n ASN 386 Ca -0.06 0.33 0.08 0.00 -0.60 0.00 0.00 54.58 54.32 1h37 n ASN 386 Cb 0.30 -0.33 0.15 0.00 -0.53 0.00 0.00 39.78 39.37 1h37 n ASN 386 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1h37 n THR 387 N -1.32 0.54 -4.31 -0.44 -2.24 -1.12 -5.00 114.28 100.39 1h37 n THR 387 Ca 0.00 -0.77 -0.23 0.00 -2.27 0.00 0.00 64.05 60.78 1h37 n THR 387 Cb 0.15 0.88 -0.08 0.00 -2.10 0.00 0.00 70.33 69.19 1h37 n THR 387 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1h37 s LEU 388 N -1.15 3.06 -0.34 3.22 1.43 0.16 -4.65 118.68 120.40 1h37 s LEU 388 Ca 0.27 -0.79 0.03 0.00 -1.03 0.00 0.00 54.13 52.60 1h37 s LEU 388 Cb 0.16 -1.54 0.10 0.00 0.03 0.00 0.00 46.19 44.93 1h37 s LEU 388 CO 0.21 -0.07 0.06 -0.13 0.23 0.00 0.00 176.35 176.65 1h37 s ARG 389 N -3.68 1.66 0.02 1.70 0.52 0.23 -4.99 118.95 114.41 1h37 s ARG 389 Ca 0.33 -1.81 -0.02 0.00 -0.52 0.00 0.00 55.73 53.71 1h37 s ARG 389 Cb -0.04 -3.25 -0.04 0.00 0.52 0.00 0.00 34.95 32.14 1h37 s ARG 389 CO 0.19 -0.93 0.19 -0.51 0.02 0.00 0.00 175.30 174.26 1h37 s LEU 390 N 0.97 4.34 0.21 2.53 1.43 -1.26 -4.47 118.68 122.42 1h37 s LEU 390 Ca 0.08 0.31 -0.20 0.00 -1.03 0.00 0.00 54.13 53.29 1h37 s LEU 390 Cb -0.20 -2.72 0.17 0.00 0.03 0.00 0.00 46.19 43.47 1h37 s LEU 390 CO -0.07 0.23 1.56 -0.65 0.23 0.00 0.00 176.35 177.65 1h37 h PRO 391 N 3.56 -0.07 -4.60 1.29 0.11 -1.99 -3.11 132.00 127.19 1h37 h PRO 391 Ca -0.48 0.01 -0.73 0.00 0.11 0.00 0.00 66.00 64.91 1h37 h PRO 391 Cb 1.18 0.02 -0.20 0.00 0.11 0.00 0.00 31.00 32.10 1h37 h PRO 391 CO 0.71 -0.05 0.77 0.34 -0.21 0.00 0.00 178.00 179.56 1h37 s ASP 392 N -5.28 6.82 0.00 -2.05 2.15 -1.26 -4.84 116.67 112.21 1h37 s ASP 392 Ca -0.14 -2.53 0.08 0.00 0.43 0.00 0.00 52.55 50.39 1h37 s ASP 392 Cb 0.18 -2.35 0.47 0.00 -0.30 0.00 0.00 42.92 40.92 1h37 s ASP 392 CO 0.70 -0.82 0.96 -0.62 -0.17 0.00 0.00 175.17 175.22 1h37 n GLU 393 N 5.49 0.23 -0.08 4.34 -0.58 -1.18 -2.58 120.64 126.29 1h37 n GLU 393 Ca 0.25 0.03 -0.14 0.00 -0.42 0.00 0.00 57.16 56.88 1h37 n GLU 393 Cb 0.46 -1.50 -0.09 0.00 -0.57 0.00 0.00 31.44 29.74 1h37 n GLU 393 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1h37 h ARG 394 N 0.00 0.00 -0.17 3.49 9.65 -1.90 -3.09 114.38 122.36 1h37 h ARG 394 Ca 0.00 0.00 -0.09 0.00 -1.10 0.00 0.00 59.98 58.79 1h37 h ARG 394 Cb 0.01 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.58 1h37 h ARG 394 CO 0.00 0.75 -0.28 -0.09 2.80 0.00 0.00 179.97 183.16 1h37 h ARG 395 N -1.00 0.32 -0.29 0.20 2.43 -1.93 -1.27 114.38 112.85 1h37 h ARG 395 Ca -0.12 -0.12 -0.05 0.00 -0.81 0.00 0.00 59.98 58.88 1h37 h ARG 395 Cb 0.91 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.43 1h37 h ARG 395 CO -0.07 0.57 -0.03 -0.09 -1.51 0.00 0.00 179.97 178.84 1h37 h ARG 396 N 0.28 0.53 -0.73 0.20 2.43 -1.69 0.29 114.38 115.68 1h37 h ARG 396 Ca 0.04 -0.19 -0.05 0.00 -0.81 0.00 0.00 59.98 58.97 1h37 h ARG 396 Cb 0.64 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.12 1h37 h ARG 396 CO 0.05 0.71 0.24 -0.09 -1.51 0.00 0.00 179.97 179.37 1h37 h ARG 397 N 0.30 1.13 0.14 0.20 9.65 -1.42 -1.93 114.38 122.45 1h37 h ARG 397 Ca 0.08 -0.23 -0.01 0.00 -1.10 0.00 0.00 59.98 58.72 1h37 h ARG 397 Cb 0.49 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 28.90 1h37 h ARG 397 CO 0.02 0.95 -0.07 0.22 2.80 0.00 0.00 179.97 183.90 1h37 h ASP 398 N 1.07 -0.16 -0.36 -3.80 3.58 -1.12 -2.90 116.42 112.73 1h37 h ASP 398 Ca 0.24 -0.39 0.08 0.00 0.42 0.00 0.00 57.03 57.38 1h37 h ASP 398 Cb 0.29 0.04 -0.09 0.00 1.72 0.00 0.00 39.33 41.29 1h37 h ASP 398 CO -0.01 0.38 -0.27 0.00 -2.88 0.00 0.00 179.24 176.46 1h37 h ALA 399 N -0.14 -0.10 -0.71 -0.78 0.00 -0.42 -0.76 119.26 116.35 1h37 h ALA 399 Ca -0.02 0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.12 1h37 h ALA 399 Cb 0.54 0.60 -0.08 0.00 0.00 0.00 0.00 17.79 18.85 1h37 h ALA 399 CO 0.03 -0.67 0.30 0.52 0.00 0.00 0.00 179.25 179.43 1h37 h MET 400 N -0.22 0.47 -0.23 0.00 2.86 -1.43 -1.90 114.93 114.47 1h37 h MET 400 Ca 0.17 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.77 1h37 h MET 400 Cb 0.50 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 1h37 h MET 400 CO -0.49 0.31 0.08 1.15 1.06 0.00 0.00 176.91 179.02 1h37 h THR 401 N 0.48 1.18 0.03 2.22 2.02 -1.01 0.17 112.91 117.99 1h37 h THR 401 Ca 0.38 -0.57 0.01 0.00 0.77 0.00 0.00 66.41 67.00 1h37 h THR 401 Cb 0.51 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 1h37 h THR 401 CO -0.35 0.19 -0.10 0.11 0.37 0.00 0.00 175.52 175.74 1h37 h LYS 402 N 0.21 -0.17 -0.21 6.66 1.57 -0.64 -0.46 116.57 123.52 1h37 h LYS 402 Ca 0.07 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1h37 h LYS 402 Cb 0.21 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1h37 h LYS 402 CO -0.00 -0.11 0.11 0.78 -0.57 0.00 0.00 179.45 179.65 1h37 h GLY 403 N -0.18 0.32 0.11 3.86 0.00 -1.30 -1.65 103.07 104.24 1h37 h GLY 403 Ca 0.03 -0.15 0.09 0.00 0.00 0.00 0.00 47.33 47.29 1h37 h GLY 403 CO -0.08 0.15 -0.13 -2.75 0.00 0.00 0.00 176.54 173.73 1h37 h PHE 404 N 0.23 -0.29 -0.33 5.60 3.04 -0.70 0.25 116.94 124.74 1h37 h PHE 404 Ca 0.07 0.04 -0.01 0.00 3.98 0.00 0.00 57.97 62.06 1h37 h PHE 404 Cb 0.09 0.19 -0.02 0.00 2.56 0.00 0.00 35.95 38.77 1h37 h PHE 404 CO -0.03 -0.21 0.18 0.00 -2.02 0.00 0.00 178.31 176.23 1h37 h ARG 405 N -0.03 0.47 -0.51 1.11 3.08 -0.91 -2.44 114.38 115.15 1h37 h ARG 405 Ca 0.20 -0.06 0.07 0.00 0.07 0.00 0.00 59.98 60.26 1h37 h ARG 405 Cb 0.34 -0.09 -0.06 0.00 0.08 0.00 0.00 29.97 30.24 1h37 h ARG 405 CO -0.45 0.40 0.19 2.35 -1.07 0.00 0.00 179.97 181.40 1h37 h TRP 406 N 0.41 0.34 -0.30 3.04 7.01 -0.50 -1.42 115.95 124.53 1h37 h TRP 406 Ca 0.12 0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.20 1h37 h TRP 406 Cb 0.08 -0.08 -0.06 0.00 -2.10 0.00 0.00 29.16 27.00 1h37 h TRP 406 CO -0.03 0.12 -0.07 0.82 -2.79 0.00 0.00 178.44 176.49 1h37 h ILE 407 N 0.38 0.70 -0.38 2.65 2.04 -0.72 -2.23 117.51 119.94 1h37 h ILE 407 Ca 0.24 -0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.15 1h37 h ILE 407 Cb 0.25 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 1h37 h ILE 407 CO -0.24 0.00 0.13 0.58 0.00 0.00 0.00 178.15 178.62 1h37 h VAL 408 N 0.00 0.88 0.00 1.67 2.07 -0.86 -1.21 116.25 118.80 1h37 h VAL 408 Ca 0.15 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1h37 h VAL 408 Cb 0.22 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1h37 h VAL 408 CO -0.31 0.05 0.00 0.61 0.02 0.00 0.00 177.57 177.94 1h37 n GLY 409 N -1.23 -0.90 0.02 2.17 0.00 -0.62 -2.17 105.19 102.48 1h37 n GLY 409 Ca 0.02 -0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.08 1h37 n GLY 409 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1h37 n MET 410 N -1.34 0.24 -1.67 1.61 2.00 -0.47 -4.94 117.12 112.54 1h37 n MET 410 Ca 0.07 -0.01 -0.45 0.00 0.00 0.00 0.00 57.70 57.30 1h37 n MET 410 Cb 0.15 -1.57 -0.03 0.00 0.00 0.00 0.00 33.22 31.77 1h37 n MET 410 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 1h37 n GLN 411 N -1.87 2.03 -1.19 0.03 7.27 -0.92 -4.59 117.38 118.14 1h37 n GLN 411 Ca 0.02 0.72 -0.17 0.00 0.07 0.00 0.00 57.00 57.64 1h37 n GLN 411 Cb 0.42 -2.41 0.12 0.00 2.41 0.00 0.00 30.24 30.77 1h37 n GLN 411 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1h37 n SER 412 N 2.54 0.12 0.39 1.69 7.64 0.06 -4.90 113.62 121.15 1h37 n SER 412 Ca 0.13 -1.32 -0.18 0.00 1.01 0.00 0.00 58.87 58.51 1h37 n SER 412 Cb 0.30 -0.59 -0.09 0.00 -1.01 0.00 0.00 64.21 62.82 1h37 n SER 412 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1h37 h SER 413 N -0.99 -0.81 0.05 6.43 0.02 -1.94 -2.92 113.55 113.39 1h37 h SER 413 Ca -0.25 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 1h37 h SER 413 Cb 0.71 0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.46 1h37 h SER 413 CO 0.18 -0.57 0.00 -0.46 -1.14 0.00 0.00 176.83 174.84 1h37 n ASN 414 N -5.50 0.00 0.00 3.07 0.23 -1.26 -4.79 115.26 107.01 1h37 n ASN 414 Ca -0.14 0.41 0.00 0.00 -0.53 0.00 0.00 54.58 54.32 1h37 n ASN 414 Cb 0.39 -0.42 0.00 0.00 -2.08 0.00 0.00 39.78 37.67 1h37 n ASN 414 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1h37 n GLY 415 N -1.25 0.34 4.01 4.83 0.00 -1.10 -4.50 105.19 107.52 1h37 n GLY 415 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 1h37 n GLY 415 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1h37 s GLY 416 N -1.68 1.86 0.06 -0.02 0.00 -1.26 -3.51 107.32 102.77 1h37 s GLY 416 Ca 0.00 -1.97 0.08 0.00 0.00 0.00 0.00 44.72 42.84 1h37 s GLY 416 CO 0.00 -1.73 -0.21 -0.98 0.00 0.00 0.00 173.10 170.18 1h37 s TRP 417 N -2.68 2.47 0.00 1.90 0.51 -1.26 -0.76 118.94 119.13 1h37 s TRP 417 Ca 0.56 -0.31 0.00 0.00 -2.12 0.00 0.00 56.10 54.23 1h37 s TRP 417 Cb -0.05 -1.41 0.00 0.00 -0.81 0.00 0.00 33.47 31.20 1h37 s TRP 417 CO 0.35 0.24 0.00 0.41 -0.51 0.00 0.00 176.95 177.44 1h37 n GLY 418 N 1.48 1.10 0.10 0.98 0.00 -1.26 -1.32 105.19 106.27 1h37 n GLY 418 Ca -0.16 -1.93 -0.16 0.00 0.00 0.00 0.00 46.02 43.76 1h37 n GLY 418 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h37 n ALA 419 N -3.00 0.95 -0.01 4.61 0.00 -1.26 -4.56 120.51 117.24 1h37 n ALA 419 Ca 0.00 -0.88 0.04 0.00 0.00 0.00 0.00 53.44 52.61 1h37 n ALA 419 Cb 0.00 0.05 -0.08 0.00 0.00 0.00 0.00 19.45 19.42 1h37 n ALA 419 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1h37 n TYR 420 N -4.40 0.00 -4.29 0.00 4.01 -1.26 -0.64 117.16 110.58 1h37 n TYR 420 Ca -0.27 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.31 1h37 n TYR 420 Cb 0.63 -0.24 -0.10 0.00 -0.31 0.00 0.00 39.34 39.31 1h37 n TYR 420 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1h37 s ASP 421 N -3.22 0.94 -0.20 7.72 1.01 -1.26 -4.65 116.67 117.01 1h37 s ASP 421 Ca -0.04 -1.42 -0.10 0.00 0.71 0.00 0.00 52.55 51.71 1h37 s ASP 421 Cb 0.06 0.26 -0.05 0.00 1.01 0.00 0.00 42.92 44.20 1h37 s ASP 421 CO 0.41 -0.79 0.13 -0.69 0.21 0.00 0.00 175.17 174.44 1h37 s VAL 422 N -3.85 5.39 -1.63 -1.27 1.01 -1.26 -4.21 120.40 114.58 1h37 s VAL 422 Ca 0.38 0.18 -0.12 0.00 0.00 0.00 0.00 61.98 62.42 1h37 s VAL 422 Cb 0.07 -3.46 0.11 0.00 0.00 0.00 0.00 36.38 33.10 1h37 s VAL 422 CO 0.14 0.44 0.56 0.47 0.00 0.00 0.00 175.10 176.71 1h37 n ASP 423 N 3.56 -1.76 -3.91 3.32 8.00 -1.26 -4.80 116.55 119.69 1h37 n ASP 423 Ca -0.16 -1.08 -0.42 0.00 0.71 0.00 0.00 54.79 53.84 1h37 n ASP 423 Cb 0.52 -2.53 0.00 0.00 -0.02 0.00 0.00 41.12 39.09 1h37 n ASP 423 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1h37 n ASN 424 N -2.75 4.66 -0.14 -2.24 2.85 -1.25 -4.53 115.26 111.86 1h37 n ASN 424 Ca -0.07 -2.99 0.01 0.00 -0.11 0.00 0.00 54.58 51.41 1h37 n ASN 424 Cb 0.57 -1.57 0.03 0.00 1.24 0.00 0.00 39.78 40.05 1h37 n ASN 424 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1h37 n THR 425 N 4.25 0.99 -1.65 -0.44 -2.24 -1.26 -2.69 114.28 111.24 1h37 n THR 425 Ca 0.44 -0.99 -0.47 0.00 -2.27 0.00 0.00 64.05 60.76 1h37 n THR 425 Cb 0.38 0.51 -0.04 0.00 -2.10 0.00 0.00 70.33 69.08 1h37 n THR 425 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1h37 n SER 426 N -0.27 2.55 -0.49 3.42 2.88 -1.26 -4.82 113.62 115.63 1h37 n SER 426 Ca 0.03 1.11 0.13 0.00 -1.33 0.00 0.00 58.87 58.81 1h37 n SER 426 Cb 0.29 -1.36 0.32 0.00 -0.75 0.00 0.00 64.21 62.70 1h37 n SER 426 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1h37 n ASP 427 N 2.74 1.68 0.04 -3.46 2.03 -1.26 -4.43 116.55 113.89 1h37 n ASP 427 Ca 0.15 -1.38 -0.13 0.00 0.52 0.00 0.00 54.79 53.95 1h37 n ASP 427 Cb 0.27 0.12 -0.08 0.00 -0.72 0.00 0.00 41.12 40.72 1h37 n ASP 427 CO 0.00 0.00 0.00 0.25 -1.92 0.00 0.00 177.20 175.53 1h37 h LEU 428 N 2.38 -0.05 -2.40 -2.67 7.12 -1.96 -3.19 115.31 114.54 1h37 h LEU 428 Ca 0.00 -0.15 0.00 0.00 0.13 0.00 0.00 57.88 57.86 1h37 h LEU 428 Cb 0.63 0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.77 1h37 h LEU 428 CO 0.00 0.12 0.00 1.55 -0.13 0.00 0.00 178.44 179.98 1h37 h PRO 429 N -0.22 0.00 0.00 5.25 0.13 -1.91 -2.96 132.00 132.29 1h37 h PRO 429 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1h37 h PRO 429 Cb 0.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.33 1h37 h PRO 429 CO 0.01 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 177.87 1h37 n ASN 430 N -2.89 0.00 -0.08 1.44 3.02 -1.21 -3.09 115.26 112.45 1h37 n ASN 430 Ca -0.02 0.25 0.07 0.00 -0.03 0.00 0.00 54.58 54.84 1h37 n ASN 430 Cb 0.10 -0.37 -0.06 0.00 -0.61 0.00 0.00 39.78 38.85 1h37 n ASN 430 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1h37 n HIS 431 N -1.37 0.00 -1.96 3.10 8.25 -1.12 -1.77 115.22 120.36 1h37 n HIS 431 Ca 0.05 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.12 1h37 n HIS 431 Cb 0.13 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.25 1h37 n HIS 431 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1h37 s ILE 432 N -2.14 2.42 0.21 1.59 -1.09 -1.18 -4.50 121.20 116.52 1h37 s ILE 432 Ca 0.07 0.36 -0.09 0.00 -2.23 0.00 0.00 60.65 58.76 1h37 s ILE 432 Cb 0.10 -3.20 0.15 0.00 -1.58 0.00 0.00 42.46 37.94 1h37 s ILE 432 CO 0.50 0.04 1.75 -0.65 -1.23 0.00 0.00 174.94 175.35 1h37 h PRO 433 N 2.29 0.44 -0.99 2.79 0.11 -1.92 -2.61 132.00 132.11 1h37 h PRO 433 Ca -0.50 -0.03 0.11 0.00 0.11 0.00 0.00 66.00 65.69 1h37 h PRO 433 Cb 1.26 -0.10 -0.08 0.00 0.11 0.00 0.00 31.00 32.20 1h37 h PRO 433 CO 0.61 0.29 0.63 0.35 -0.21 0.00 0.00 178.00 179.67 1h37 h PHE 434 N 0.45 1.12 -0.37 0.65 3.57 -1.90 -3.37 116.94 117.09 1h37 h PHE 434 Ca 0.32 0.03 -0.69 0.00 3.53 0.00 0.00 57.97 61.16 1h37 h PHE 434 Cb 0.39 -0.36 -0.06 0.00 2.79 0.00 0.00 35.95 38.71 1h37 h PHE 434 CO -0.15 0.48 2.70 0.00 -2.23 0.00 0.00 178.31 179.11 1h37 n ASP 436 N 7.22 3.04 -3.74 0.00 5.75 -1.26 -1.61 116.55 125.95 1h37 n ASP 436 Ca 0.51 -2.66 -0.25 0.00 -0.01 0.00 0.00 54.79 52.38 1h37 n ASP 436 Cb 0.42 -0.37 -0.17 0.00 -1.03 0.00 0.00 41.12 39.97 1h37 n ASP 436 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1h37 s PHE 437 N -2.17 0.70 0.00 2.11 5.36 -1.26 -4.75 117.98 117.96 1h37 s PHE 437 Ca 0.30 -0.38 0.00 0.00 -0.96 0.00 0.00 56.93 55.88 1h37 s PHE 437 Cb 0.23 -0.85 0.00 0.00 -0.34 0.00 0.00 43.02 42.06 1h37 s PHE 437 CO 0.08 -0.43 0.00 0.41 -1.46 0.00 0.00 175.22 173.82 1h37 n GLY 438 N 5.14 -0.27 3.80 13.12 0.00 -1.26 -4.82 105.19 120.90 1h37 n GLY 438 Ca -0.07 -0.96 -0.34 0.00 0.00 0.00 0.00 46.02 44.65 1h37 n GLY 438 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1h37 s GLU 439 N 0.00 3.87 0.00 1.61 0.41 -1.26 -4.94 118.70 118.40 1h37 s GLU 439 Ca 0.00 1.30 0.00 0.00 -0.41 0.00 0.00 54.97 55.86 1h37 s GLU 439 Cb 0.00 -2.11 0.00 0.00 -1.78 0.00 0.00 34.13 30.24 1h37 s GLU 439 CO 0.00 -0.36 0.13 0.28 -0.49 0.00 0.00 175.26 174.82 1h37 n VAL 440 N -0.94 0.00 -4.26 2.63 0.31 -1.26 -4.89 118.33 109.92 1h37 n VAL 440 Ca 0.09 -0.31 -0.15 0.00 -0.01 0.00 0.00 64.34 63.96 1h37 n VAL 440 Cb 0.53 1.16 -0.10 0.00 -0.91 0.00 0.00 33.84 34.52 1h37 n VAL 440 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1h37 s THR 441 N -0.36 1.25 -0.68 2.52 -4.23 -1.26 -0.33 115.64 112.55 1h37 s THR 441 Ca 0.00 -2.08 0.05 0.00 -1.18 0.00 0.00 61.69 58.48 1h37 s THR 441 Cb 0.00 -1.87 0.18 0.00 1.34 0.00 0.00 72.50 72.15 1h37 s THR 441 CO 0.00 -0.72 0.52 -0.67 -0.54 0.00 0.00 174.62 173.21 1h37 n ASP 442 N -0.21 2.87 -4.90 3.99 2.03 -1.11 -4.74 116.55 114.47 1h37 n ASP 442 Ca -0.10 -3.18 -0.28 0.00 0.52 0.00 0.00 54.79 51.75 1h37 n ASP 442 Cb 0.60 -0.73 0.01 0.00 -0.72 0.00 0.00 41.12 40.28 1h37 n ASP 442 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1h37 s PRO 443 N -1.50 3.32 0.47 -0.67 0.04 -1.10 -3.91 135.00 131.66 1h37 s PRO 443 Ca 0.27 0.24 -0.24 0.00 0.04 0.00 0.00 61.00 61.32 1h37 s PRO 443 Cb -0.01 -2.27 -0.08 0.00 0.04 0.00 0.00 34.50 32.17 1h37 s PRO 443 CO -0.15 -0.47 1.27 -2.30 0.04 0.00 0.00 177.00 175.38 1h37 n PRO 444 N -2.49 1.79 -4.18 0.56 -0.02 -1.26 -4.58 135.00 124.82 1h37 n PRO 444 Ca 0.03 0.64 -0.17 0.00 -2.02 0.00 0.00 63.50 61.98 1h37 n PRO 444 Cb 0.56 -2.42 -0.12 0.00 -0.02 0.00 0.00 33.50 31.51 1h37 n PRO 444 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 1h37 s SER 445 N -0.69 1.66 0.15 2.55 1.04 -0.44 -4.91 113.70 113.07 1h37 s SER 445 Ca 0.65 -0.68 -0.16 0.00 0.48 0.00 0.00 55.95 56.24 1h37 s SER 445 Cb -0.47 -0.04 0.01 0.00 0.10 0.00 0.00 66.02 65.62 1h37 s SER 445 CO 0.55 -0.12 1.79 -0.33 0.98 0.00 0.00 173.24 176.11 1h37 h GLU 446 N 4.06 0.54 -0.55 4.02 3.07 -1.88 -2.20 114.58 121.64 1h37 h GLU 446 Ca -0.40 -0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 58.40 1h37 h GLU 446 Cb 1.19 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 28.96 1h37 h GLU 446 CO 0.44 0.38 0.28 0.38 -1.40 0.00 0.00 179.01 179.09 1h37 h ASP 447 N 0.54 0.71 0.27 1.42 2.03 -1.90 0.49 116.42 119.98 1h37 h ASP 447 Ca 0.15 -0.12 -0.01 0.00 -0.73 0.00 0.00 57.03 56.31 1h37 h ASP 447 Cb -0.03 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 38.30 1h37 h ASP 447 CO -0.03 0.63 -0.13 0.58 -1.03 0.00 0.00 179.24 179.26 1h37 h VAL 448 N 0.74 0.78 -0.98 4.15 2.07 -1.87 -1.79 116.25 119.35 1h37 h VAL 448 Ca 0.19 -0.37 0.18 0.00 0.82 0.00 0.00 66.70 67.52 1h37 h VAL 448 Cb 0.10 0.99 -0.09 0.00 -1.52 0.00 0.00 31.29 30.76 1h37 h VAL 448 CO -0.03 0.08 0.61 0.74 0.02 0.00 0.00 177.57 179.00 1h37 h THR 449 N -0.55 0.74 0.18 2.57 2.02 -1.28 -0.81 112.91 115.78 1h37 h THR 449 Ca -0.04 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.88 1h37 h THR 449 Cb 0.41 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 1h37 h THR 449 CO 0.06 0.13 -0.09 0.00 0.37 0.00 0.00 175.52 176.00 1h37 h ALA 450 N 1.62 -0.24 -0.49 6.16 0.00 -0.58 -1.99 119.26 123.73 1h37 h ALA 450 Ca 0.54 -0.11 0.08 0.00 0.00 0.00 0.00 54.91 55.42 1h37 h ALA 450 Cb 0.88 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1h37 h ALA 450 CO -0.31 -0.56 0.33 0.45 0.00 0.00 0.00 179.25 179.16 1h37 h HIS 451 N -0.38 0.36 0.36 0.00 3.86 -0.37 0.23 115.15 119.21 1h37 h HIS 451 Ca -0.02 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.18 1h37 h HIS 451 Cb 0.30 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.65 1h37 h HIS 451 CO -0.02 0.19 -0.17 0.28 0.86 0.00 0.00 177.93 179.06 1h37 h VAL 452 N 0.35 0.59 -0.60 2.45 2.07 -0.96 -2.15 116.25 118.00 1h37 h VAL 452 Ca 0.22 -0.56 0.09 0.00 0.82 0.00 0.00 66.70 67.27 1h37 h VAL 452 Cb 0.42 0.84 -0.07 0.00 -1.52 0.00 0.00 31.29 30.97 1h37 h VAL 452 CO -0.05 0.10 0.24 -0.07 0.02 0.00 0.00 177.57 177.81 1h37 h LEU 453 N -0.83 0.27 -1.55 2.57 4.07 -0.64 0.22 115.31 119.41 1h37 h LEU 453 Ca -0.05 0.07 0.05 0.00 0.08 0.00 0.00 57.88 58.03 1h37 h LEU 453 Cb 0.53 0.04 -0.03 0.00 1.08 0.00 0.00 40.66 42.28 1h37 h LEU 453 CO 0.08 0.16 0.37 -0.08 -1.08 0.00 0.00 178.44 177.89 1h37 h GLU 454 N 0.44 0.55 0.26 1.13 4.57 -1.00 0.33 114.58 120.86 1h37 h GLU 454 Ca 0.30 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.43 1h37 h GLU 454 Cb 0.34 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1h37 h GLU 454 CO -0.28 0.37 -0.13 0.00 -1.18 0.00 0.00 179.01 177.79 1h37 h PHE 456 N -0.71 0.20 -0.69 0.00 0.04 -0.59 -1.87 116.94 113.32 1h37 h PHE 456 Ca -0.04 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.71 1h37 h PHE 456 Cb 0.49 -0.07 -0.03 0.00 2.20 0.00 0.00 35.95 38.54 1h37 h PHE 456 CO 0.03 0.11 0.32 0.78 -0.60 0.00 0.00 178.31 178.95 1h37 h GLY 457 N 0.20 1.07 0.56 -1.45 0.00 -0.08 -2.45 103.07 100.92 1h37 h GLY 457 Ca 0.12 -0.54 0.15 0.00 0.00 0.00 0.00 47.33 47.07 1h37 h GLY 457 CO -0.02 0.51 0.55 1.48 0.00 0.00 0.00 176.54 179.06 1h37 h SER 458 N 0.96 0.50 1.41 0.19 4.64 -0.85 0.28 113.55 120.68 1h37 h SER 458 Ca 0.23 0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.51 1h37 h SER 458 Cb 0.14 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1h37 h SER 458 CO -0.03 0.25 -0.38 -0.26 -0.87 0.00 0.00 176.83 175.54 1h37 h PHE 459 N 0.53 0.00 0.00 4.77 0.04 -1.50 -3.48 116.94 117.30 1h37 h PHE 459 Ca 0.42 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.19 1h37 h PHE 459 Cb 0.84 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.99 1h37 h PHE 459 CO -0.00 0.38 0.00 0.41 -0.60 0.00 0.00 178.31 178.50 1h37 n GLY 460 N 0.95 3.59 1.90 -1.45 0.00 0.99 -5.06 105.19 106.11 1h37 n GLY 460 Ca 0.02 -0.96 -0.24 0.00 0.00 0.00 0.00 46.02 44.83 1h37 n GLY 460 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1h37 n TYR 461 N 0.00 0.36 -1.37 1.61 4.02 -1.19 -4.83 117.16 115.76 1h37 n TYR 461 Ca 0.00 0.24 0.00 0.00 -0.01 0.00 0.00 57.90 58.13 1h37 n TYR 461 Cb 0.00 -1.30 0.00 0.00 -0.02 0.00 0.00 39.34 38.02 1h37 n TYR 461 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1h37 n ASP 462 N 5.48 0.00 0.06 7.72 5.75 -1.26 -4.34 116.55 129.96 1h37 n ASP 462 Ca 0.35 -0.16 0.07 0.00 -0.01 0.00 0.00 54.79 55.04 1h37 n ASP 462 Cb 0.01 0.00 0.33 0.00 -1.03 0.00 0.00 41.12 40.43 1h37 n ASP 462 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 1h37 n ASP 463 N -0.49 0.27 -0.21 -1.12 2.03 -1.14 -2.75 116.55 113.15 1h37 n ASP 463 Ca 0.00 0.59 -0.08 0.00 0.52 0.00 0.00 54.79 55.83 1h37 n ASP 463 Cb 0.00 -0.64 0.02 0.00 -0.72 0.00 0.00 41.12 39.78 1h37 n ASP 463 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1h37 h ALA 464 N 2.21 0.76 -2.78 -1.67 0.00 -1.92 -3.40 119.26 112.46 1h37 h ALA 464 Ca 0.00 -0.19 -0.53 0.00 0.00 0.00 0.00 54.91 54.20 1h37 h ALA 464 Cb 0.16 -0.22 0.06 0.00 0.00 0.00 0.00 17.79 17.78 1h37 h ALA 464 CO 0.00 0.41 0.74 -0.46 0.00 0.00 0.00 179.25 179.94 1h37 s TRP 465 N -5.45 3.00 0.22 0.00 -0.00 -1.11 -4.94 118.94 110.66 1h37 s TRP 465 Ca -0.13 1.09 -0.09 0.00 -0.00 0.00 0.00 56.10 56.98 1h37 s TRP 465 Cb 0.13 -3.81 0.22 0.00 -0.00 0.00 0.00 33.47 30.00 1h37 s TRP 465 CO 0.80 -2.57 1.86 -0.22 -0.00 0.00 0.00 176.95 176.82 1h37 h LYS 466 N 4.68 0.93 0.12 5.86 3.64 -1.90 -2.77 116.57 127.13 1h37 h LYS 466 Ca -0.47 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 58.87 1h37 h LYS 466 Cb 1.22 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.80 1h37 h LYS 466 CO 0.75 0.61 -0.23 0.28 -2.27 0.00 0.00 179.45 178.60 1h37 h VAL 467 N 0.96 0.48 -0.38 2.00 2.07 -1.95 -0.71 116.25 118.72 1h37 h VAL 467 Ca 0.31 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.90 1h37 h VAL 467 Cb 0.01 0.48 -0.07 0.00 -1.52 0.00 0.00 31.29 30.19 1h37 h VAL 467 CO -0.11 0.00 -0.10 0.40 0.02 0.00 0.00 177.57 177.78 1h37 h ILE 468 N -0.43 0.60 -0.31 4.57 1.08 -1.81 -1.97 117.51 119.24 1h37 h ILE 468 Ca 0.03 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.52 1h37 h ILE 468 Cb 0.45 0.60 -0.03 0.00 -3.07 0.00 0.00 36.82 34.78 1h37 h ILE 468 CO -0.13 0.00 0.16 -0.09 -0.69 0.00 0.00 178.15 177.40 1h37 h ARG 469 N -0.01 0.32 -0.86 2.37 2.43 -1.19 0.63 114.38 118.07 1h37 h ARG 469 Ca 0.18 -0.02 0.15 0.00 -0.81 0.00 0.00 59.98 59.48 1h37 h ARG 469 Cb 0.29 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.70 1h37 h ARG 469 CO -0.40 0.21 0.56 0.00 -1.51 0.00 0.00 179.97 178.83 1h37 h ARG 470 N 0.33 0.58 -0.02 0.20 3.08 -0.60 0.20 114.38 118.15 1h37 h ARG 470 Ca 0.13 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.09 1h37 h ARG 470 Cb 0.04 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 29.96 1h37 h ARG 470 CO -0.09 0.38 -0.19 0.00 -1.07 0.00 0.00 179.97 179.01 1h37 h ALA 471 N 1.61 0.05 -0.82 0.04 0.00 -0.64 -2.53 119.26 116.96 1h37 h ALA 471 Ca 0.43 -0.42 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1h37 h ALA 471 Cb 0.79 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1h37 h ALA 471 CO -0.18 0.03 0.54 0.28 0.00 0.00 0.00 179.25 179.92 1h37 h VAL 472 N -0.48 1.16 -0.74 0.00 2.07 -0.21 0.11 116.25 118.17 1h37 h VAL 472 Ca -0.02 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 1h37 h VAL 472 Cb 0.90 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 1h37 h VAL 472 CO 0.04 0.19 0.45 -0.33 0.02 0.00 0.00 177.57 177.94 1h37 h GLU 473 N 1.05 1.00 -0.14 1.57 4.39 -0.65 0.14 114.58 121.94 1h37 h GLU 473 Ca 0.32 -0.09 0.02 0.00 0.34 0.00 0.00 59.36 59.95 1h37 h GLU 473 Cb -0.02 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 28.40 1h37 h GLU 473 CO -0.09 0.70 0.03 -0.92 -1.16 0.00 0.00 179.01 177.58 1h37 h TYR 474 N 1.01 0.06 -0.06 4.33 3.20 -0.44 -2.01 116.97 123.05 1h37 h TYR 474 Ca 0.27 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.14 1h37 h TYR 474 Cb -0.05 -0.01 -0.00 0.00 1.54 0.00 0.00 36.73 38.21 1h37 h TYR 474 CO -0.01 0.02 0.03 -0.07 -1.64 0.00 0.00 178.16 176.50 1h37 h LEU 475 N 0.09 0.08 -0.86 2.82 3.38 -0.50 -2.24 115.31 118.08 1h37 h LEU 475 Ca 0.06 -0.09 0.12 0.00 0.09 0.00 0.00 57.88 58.06 1h37 h LEU 475 Cb 0.05 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 40.69 1h37 h LEU 475 CO -0.08 0.15 0.48 0.11 0.09 0.00 0.00 178.44 179.20 1h37 h LYS 476 N 0.00 0.74 0.00 1.13 1.57 -0.83 -0.45 116.57 118.74 1h37 h LYS 476 Ca 0.02 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.70 1h37 h LYS 476 Cb 0.09 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1h37 h LYS 476 CO -0.00 0.49 -0.29 0.00 -0.57 0.00 0.00 179.45 179.08 1h37 h ARG 477 N 0.76 0.00 0.00 3.15 3.08 -1.16 -3.13 114.38 117.08 1h37 h ARG 477 Ca 0.44 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 60.34 1h37 h ARG 477 Cb 0.49 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.52 1h37 h ARG 477 CO -0.29 0.29 -1.09 0.93 -1.07 0.00 0.00 179.97 178.73 1h37 h GLU 478 N 0.00 0.00 -6.09 0.04 4.39 -0.51 -3.47 114.58 108.93 1h37 h GLU 478 Ca -0.00 0.00 -0.72 0.00 0.34 0.00 0.00 59.36 58.98 1h37 h GLU 478 Cb 0.71 0.00 0.07 0.00 -0.10 0.00 0.00 28.75 29.43 1h37 h GLU 478 CO 0.04 0.38 -0.02 0.94 -1.16 0.00 0.00 179.01 179.19 1h37 n GLN 479 N -3.02 0.34 -1.68 2.33 7.27 -0.59 -4.91 117.38 117.12 1h37 n GLN 479 Ca -0.05 0.12 -0.31 0.00 0.07 0.00 0.00 57.00 56.83 1h37 n GLN 479 Cb 0.80 -1.50 0.04 0.00 2.41 0.00 0.00 30.24 32.00 1h37 n GLN 479 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 1h37 s LYS 480 N -0.31 3.04 0.30 3.69 -0.14 0.19 -4.92 119.74 121.59 1h37 s LYS 480 Ca 0.80 0.83 0.05 0.00 -1.36 0.00 0.00 55.97 56.28 1h37 s LYS 480 Cb -1.07 -2.01 0.77 0.00 -1.68 0.00 0.00 37.83 33.84 1h37 s LYS 480 CO 0.55 -0.99 1.70 -1.35 -0.76 0.00 0.00 175.35 174.49 1h37 h PRO 481 N -0.64 0.41 -0.47 -1.68 0.11 -1.91 0.21 132.00 128.03 1h37 h PRO 481 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1h37 h PRO 481 Cb 1.21 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1h37 h PRO 481 CO 0.59 0.27 0.00 -0.40 -0.21 0.00 0.00 178.00 178.25 1h37 n ASP 482 N -5.03 1.37 -0.21 -2.05 5.75 -1.26 -4.87 116.55 110.25 1h37 n ASP 482 Ca 0.23 -2.08 -0.03 0.00 -0.01 0.00 0.00 54.79 52.90 1h37 n ASP 482 Cb 0.68 -0.29 -0.01 0.00 -1.03 0.00 0.00 41.12 40.47 1h37 n ASP 482 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1h37 n GLY 483 N 0.51 0.60 3.91 6.12 0.00 0.75 -4.71 105.19 112.37 1h37 n GLY 483 Ca 0.06 -0.54 -0.20 0.00 0.00 0.00 0.00 46.02 45.34 1h37 n GLY 483 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h37 s SER 484 N -2.60 5.43 -0.08 1.61 1.04 -1.25 -3.85 113.70 114.01 1h37 s SER 484 Ca 0.00 -0.49 0.03 0.00 0.48 0.00 0.00 55.95 55.98 1h37 s SER 484 Cb 0.00 -0.87 0.01 0.00 0.10 0.00 0.00 66.02 65.26 1h37 s SER 484 CO 0.00 -0.52 -0.17 0.26 0.98 0.00 0.00 173.24 173.79 1h37 s TRP 485 N -2.33 1.90 0.83 5.02 0.51 -1.26 -0.63 118.94 122.97 1h37 s TRP 485 Ca 0.46 -0.72 -0.14 0.00 -2.12 0.00 0.00 56.10 53.58 1h37 s TRP 485 Cb -0.07 -1.32 0.01 0.00 -0.81 0.00 0.00 33.47 31.28 1h37 s TRP 485 CO 0.29 -0.32 0.59 0.34 -0.51 0.00 0.00 176.95 177.34 1h37 n PHE 486 N 3.63 -0.73 -3.99 -1.98 7.35 -1.26 -3.07 117.46 117.40 1h37 n PHE 486 Ca -0.21 0.31 -0.31 0.00 -0.76 0.00 0.00 57.45 56.48 1h37 n PHE 486 Cb 0.52 -1.89 -0.15 0.00 0.35 0.00 0.00 39.48 38.31 1h37 n PHE 486 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 1h37 s GLY 487 N -1.79 1.66 -0.06 7.13 0.00 -1.08 -4.09 107.32 109.10 1h37 s GLY 487 Ca 0.63 -2.04 -0.23 0.00 0.00 0.00 0.00 44.72 43.09 1h37 s GLY 487 CO 0.61 0.91 0.92 -0.09 0.00 0.00 0.00 173.10 175.45 1h37 h ARG 488 N 7.76 -0.14 -0.53 2.90 9.65 -1.94 -3.37 114.38 128.72 1h37 h ARG 488 Ca -0.12 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.77 1h37 h ARG 488 Cb 1.03 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.65 1h37 h ARG 488 CO 0.48 0.36 0.00 0.91 2.80 0.00 0.00 179.97 184.52 1h37 n TRP 489 N -4.87 1.19 -3.68 2.20 7.02 -1.26 -4.67 117.44 113.38 1h37 n TRP 489 Ca -0.08 -0.64 -0.14 0.00 -1.02 0.00 0.00 57.50 55.63 1h37 n TRP 489 Cb 0.28 -0.21 -0.08 0.00 -2.42 0.00 0.00 31.31 28.87 1h37 n TRP 489 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1h37 s GLY 490 N -1.11 -0.41 -0.54 6.99 0.00 -1.26 -2.83 107.32 108.16 1h37 s GLY 490 Ca 0.44 1.45 -0.26 0.00 0.00 0.00 0.00 44.72 46.36 1h37 s GLY 490 CO 0.20 1.23 1.02 0.14 0.00 0.00 0.00 173.10 175.69 1h37 s VAL 491 N 0.07 4.29 0.00 1.40 1.01 0.32 -4.47 120.40 123.03 1h37 s VAL 491 Ca -0.02 0.61 0.00 0.00 0.00 0.00 0.00 61.98 62.57 1h37 s VAL 491 Cb -0.04 -4.57 0.00 0.00 0.00 0.00 0.00 36.38 31.77 1h37 s VAL 491 CO 0.02 -1.11 0.00 -3.20 0.00 0.00 0.00 175.10 170.81 1h37 n ASN 492 N 7.69 0.00 0.17 3.32 2.85 -1.26 -4.44 115.26 123.60 1h37 n ASN 492 Ca 0.05 0.00 0.03 0.00 -0.11 0.00 0.00 54.58 54.55 1h37 n ASN 492 Cb 0.48 0.00 0.29 0.00 1.24 0.00 0.00 39.78 41.79 1h37 n ASN 492 CO 0.00 0.00 0.00 1.88 -2.11 0.00 0.00 177.26 177.03 1h37 h TYR 493 N 0.00 0.00 -0.02 1.20 0.05 -1.85 0.11 116.97 116.46 1h37 h TYR 493 Ca 0.00 0.00 -0.21 0.00 0.05 0.00 0.00 58.73 58.57 1h37 h TYR 493 Cb 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.74 1h37 h TYR 493 CO 0.00 0.45 -0.87 -0.07 -1.05 0.00 0.00 178.16 176.63 1h37 h LEU 494 N 0.00 0.47 -0.03 3.88 3.38 -1.86 -1.25 115.31 119.91 1h37 h LEU 494 Ca -0.00 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 57.60 1h37 h LEU 494 Cb 0.93 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 1h37 h LEU 494 CO 0.06 1.14 -0.01 0.22 0.09 0.00 0.00 178.44 179.94 1h37 h TYR 495 N 0.22 0.07 0.65 1.13 3.20 -1.64 -2.01 116.97 118.59 1h37 h TYR 495 Ca -0.06 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.76 1h37 h TYR 495 Cb 1.48 -0.02 0.01 0.00 1.54 0.00 0.00 36.73 39.74 1h37 h TYR 495 CO 0.05 0.44 -0.31 0.78 -1.64 0.00 0.00 178.16 177.47 1h37 h GLY 496 N -0.32 -0.91 0.11 1.82 0.00 -0.84 -2.25 103.07 100.68 1h37 h GLY 496 Ca 0.01 0.34 0.13 0.00 0.00 0.00 0.00 47.33 47.80 1h37 h GLY 496 CO 0.00 -0.33 0.16 -0.84 0.00 0.00 0.00 176.54 175.53 1h37 h THR 497 N -1.10 0.61 -0.37 4.70 2.02 -1.15 0.18 112.91 117.79 1h37 h THR 497 Ca -0.09 -0.10 0.04 0.00 0.77 0.00 0.00 66.41 67.03 1h37 h THR 497 Cb 0.71 0.30 -0.04 0.00 -1.74 0.00 0.00 68.15 67.38 1h37 h THR 497 CO 0.15 0.05 0.15 1.23 0.37 0.00 0.00 175.52 177.47 1h37 h GLY 498 N 0.28 0.49 0.52 2.16 0.00 -1.37 -1.78 103.07 103.37 1h37 h GLY 498 Ca 0.35 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.56 1h37 h GLY 498 CO -0.43 0.06 -0.38 0.00 0.00 0.00 0.00 176.54 175.78 1h37 h ALA 499 N 1.22 -1.14 0.00 3.60 0.00 -0.49 -1.56 119.26 120.89 1h37 h ALA 499 Ca 0.16 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1h37 h ALA 499 Cb 0.12 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1h37 h ALA 499 CO -0.15 -1.13 -0.13 0.28 0.00 0.00 0.00 179.25 178.12 1h37 h VAL 500 N -0.87 0.00 -0.78 0.00 2.07 -0.95 0.62 116.25 116.34 1h37 h VAL 500 Ca -0.07 0.00 0.18 0.00 0.82 0.00 0.00 66.70 67.63 1h37 h VAL 500 Cb 0.71 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.35 1h37 h VAL 500 CO 0.03 0.00 0.02 0.58 0.02 0.00 0.00 177.57 178.22 1h37 h VAL 501 N -0.17 0.32 -0.66 2.57 2.07 -1.41 0.58 116.25 119.56 1h37 h VAL 501 Ca 0.00 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.51 1h37 h VAL 501 Cb 0.18 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.11 1h37 h VAL 501 CO -0.09 0.02 0.41 -1.28 0.02 0.00 0.00 177.57 176.65 1h37 h SER 502 N 0.11 0.68 0.74 0.57 0.87 -0.91 -1.43 113.55 114.18 1h37 h SER 502 Ca 0.43 -0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.95 1h37 h SER 502 Cb 0.77 -0.15 0.01 0.00 -0.44 0.00 0.00 62.40 62.59 1h37 h SER 502 CO -0.68 0.47 -0.36 0.00 -0.53 0.00 0.00 176.83 175.74 1h37 h ALA 503 N 1.28 -1.00 -1.04 6.23 0.00 0.22 -2.61 119.26 122.34 1h37 h ALA 503 Ca 0.26 -0.23 0.29 0.00 0.00 0.00 0.00 54.91 55.23 1h37 h ALA 503 Cb 0.00 0.39 -0.12 0.00 0.00 0.00 0.00 17.79 18.06 1h37 h ALA 503 CO -0.10 -0.95 0.63 -0.07 0.00 0.00 0.00 179.25 178.76 1h37 h LEU 504 N -1.22 0.54 -0.48 0.00 3.38 0.00 0.60 115.31 118.13 1h37 h LEU 504 Ca -0.10 0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1h37 h LEU 504 Cb 0.78 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 1h37 h LEU 504 CO 0.17 0.01 0.23 0.50 0.09 0.00 0.00 178.44 179.44 1h37 h LYS 505 N 0.42 0.70 0.00 1.13 3.11 -1.17 -2.91 116.57 117.85 1h37 h LYS 505 Ca 0.67 -0.11 -0.04 0.00 -2.81 0.00 0.00 60.65 58.37 1h37 h LYS 505 Cb 1.53 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 32.63 1h37 h LYS 505 CO -0.46 0.59 -0.19 0.00 -2.81 0.00 0.00 179.45 176.59 1h37 h ALA 506 N 1.07 1.29 -0.58 5.00 0.00 0.56 -2.92 119.26 123.68 1h37 h ALA 506 Ca 0.16 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.71 1h37 h ALA 506 Cb 0.13 -0.03 -0.12 0.00 0.00 0.00 0.00 17.79 17.77 1h37 h ALA 506 CO -0.02 0.24 0.25 1.33 0.00 0.00 0.00 179.25 181.05 1h37 n VAL 507 N -3.74 2.33 0.00 0.00 0.24 -0.70 -4.57 118.33 111.89 1h37 n VAL 507 Ca -0.02 -1.22 0.00 0.00 -2.04 0.00 0.00 64.34 61.06 1h37 n VAL 507 Cb 0.30 -0.48 0.00 0.00 -1.47 0.00 0.00 33.84 32.19 1h37 n VAL 507 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1h37 n GLY 508 N -0.14 2.74 3.10 7.63 0.00 -1.10 -2.88 105.19 114.54 1h37 n GLY 508 Ca 0.32 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.98 1h37 n GLY 508 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1h37 n ILE 509 N -0.62 0.06 -2.99 -0.61 2.08 -1.13 -4.86 119.36 111.28 1h37 n ILE 509 Ca 0.00 -0.49 -0.41 0.00 0.56 0.00 0.00 62.75 62.41 1h37 n ILE 509 Cb 0.00 -0.04 -0.05 0.00 -0.75 0.00 0.00 39.64 38.80 1h37 n ILE 509 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1h37 s ASP 510 N -1.04 6.83 0.01 4.38 2.15 -1.26 -4.70 116.67 123.03 1h37 s ASP 510 Ca 0.46 1.01 0.18 0.00 0.43 0.00 0.00 52.55 54.64 1h37 s ASP 510 Cb -0.28 -2.41 0.77 0.00 -0.30 0.00 0.00 42.92 40.70 1h37 s ASP 510 CO 0.77 -0.36 1.58 0.35 -0.17 0.00 0.00 175.17 177.34 1h37 n THR 511 N 4.77 0.77 0.30 1.71 -2.24 -1.26 -2.79 114.28 115.54 1h37 n THR 511 Ca 0.02 0.19 0.12 0.00 -2.27 0.00 0.00 64.05 62.11 1h37 n THR 511 Cb 0.49 -0.89 0.16 0.00 -2.10 0.00 0.00 70.33 67.99 1h37 n THR 511 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1h37 h ARG 512 N 0.00 0.00 -6.34 -0.78 2.43 -1.91 -3.40 114.38 104.38 1h37 h ARG 512 Ca 0.00 0.00 -0.54 0.00 -0.81 0.00 0.00 59.98 58.63 1h37 h ARG 512 Cb 0.31 0.00 0.23 0.00 -0.42 0.00 0.00 29.97 30.09 1h37 h ARG 512 CO 0.00 0.00 -1.32 0.39 -1.51 0.00 0.00 179.97 177.53 1h37 n GLU 513 N -2.74 -0.13 0.21 0.20 -0.58 -1.12 -4.72 120.64 111.77 1h37 n GLU 513 Ca 0.03 -0.02 -0.14 0.00 -0.42 0.00 0.00 57.16 56.61 1h37 n GLU 513 Cb 0.51 -1.37 -0.08 0.00 -0.57 0.00 0.00 31.44 29.93 1h37 n GLU 513 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 1h37 h PRO 514 N -1.24 -0.52 -0.27 3.49 0.11 -1.92 -2.63 132.00 129.02 1h37 h PRO 514 Ca -0.44 0.04 0.08 0.00 0.11 0.00 0.00 66.00 65.79 1h37 h PRO 514 Cb 1.29 0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.51 1h37 h PRO 514 CO 0.28 -0.23 0.20 0.10 -0.21 0.00 0.00 178.00 178.13 1h37 h TYR 515 N -0.76 0.00 -0.22 0.65 -0.00 -1.98 0.31 116.97 114.97 1h37 h TYR 515 Ca -0.05 0.00 -0.15 0.00 -0.00 0.00 0.00 58.73 58.52 1h37 h TYR 515 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.25 1h37 h TYR 515 CO 0.00 0.00 -0.46 0.82 -0.00 0.00 0.00 178.16 178.52 1h37 h ILE 516 N 0.00 1.31 -0.24 -0.90 1.08 -1.85 -2.74 117.51 114.17 1h37 h ILE 516 Ca 0.13 -1.68 -0.06 0.00 -0.39 0.00 0.00 64.86 62.86 1h37 h ILE 516 Cb 0.52 1.82 -0.01 0.00 -3.07 0.00 0.00 36.82 36.08 1h37 h ILE 516 CO -0.00 0.53 -0.10 1.56 -0.69 0.00 0.00 178.15 179.44 1h37 h GLN 517 N 0.40 0.50 -0.41 2.37 1.08 -0.82 0.19 115.11 118.41 1h37 h GLN 517 Ca 0.00 -0.21 0.12 0.00 -1.45 0.00 0.00 58.65 57.11 1h37 h GLN 517 Cb 1.07 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 28.46 1h37 h GLN 517 CO 0.10 0.75 0.31 -0.22 -0.95 0.00 0.00 178.83 178.82 1h37 h LYS 518 N 0.22 0.00 0.04 1.46 3.64 -0.46 0.20 116.57 121.67 1h37 h LYS 518 Ca 0.06 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1h37 h LYS 518 Cb 0.59 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1h37 h LYS 518 CO 0.03 0.00 -0.02 0.00 -2.27 0.00 0.00 179.45 177.19 1h37 h ALA 519 N 1.76 -0.05 -0.86 5.00 0.00 -1.14 -2.95 119.26 121.02 1h37 h ALA 519 Ca 0.19 -0.24 0.20 0.00 0.00 0.00 0.00 54.91 55.07 1h37 h ALA 519 Cb 0.81 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.51 1h37 h ALA 519 CO -0.00 -0.07 0.36 -0.07 0.00 0.00 0.00 179.25 179.47 1h37 h LEU 520 N -0.98 0.31 0.01 0.00 3.38 -0.03 -0.33 115.31 117.68 1h37 h LEU 520 Ca -0.01 0.14 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1h37 h LEU 520 Cb 0.49 0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1h37 h LEU 520 CO 0.01 0.03 -0.01 0.44 0.09 0.00 0.00 178.44 179.00 1h37 h ASP 521 N 0.41 -0.02 -0.99 -0.43 3.32 -0.75 -2.58 116.42 115.39 1h37 h ASP 521 Ca 0.52 -0.08 0.22 0.00 0.02 0.00 0.00 57.03 57.71 1h37 h ASP 521 Cb 0.94 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.37 1h37 h ASP 521 CO -0.50 0.07 0.59 -0.25 -1.72 0.00 0.00 179.24 177.43 1h37 h TRP 522 N -0.10 1.01 0.57 4.55 7.01 -0.90 0.18 115.95 128.26 1h37 h TRP 522 Ca -0.00 0.04 -0.03 0.00 2.11 0.00 0.00 58.89 61.01 1h37 h TRP 522 Cb 0.10 -0.29 0.01 0.00 -2.10 0.00 0.00 29.16 26.87 1h37 h TRP 522 CO -0.05 0.12 -0.27 0.28 -2.79 0.00 0.00 178.44 175.73 1h37 h VAL 523 N 0.64 0.41 -0.85 2.65 2.07 -0.95 -2.91 116.25 117.31 1h37 h VAL 523 Ca 0.61 -0.17 0.14 0.00 0.82 0.00 0.00 66.70 68.10 1h37 h VAL 523 Cb 1.09 0.47 -0.06 0.00 -1.52 0.00 0.00 31.29 31.27 1h37 h VAL 523 CO -0.44 0.03 0.56 -0.33 0.02 0.00 0.00 177.57 177.40 1h37 h GLU 524 N -0.88 0.62 0.00 1.57 5.08 -0.93 -1.08 114.58 118.97 1h37 h GLU 524 Ca -0.08 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 1h37 h GLU 524 Cb 0.63 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.74 1h37 h GLU 524 CO 0.13 0.41 0.00 1.04 -1.00 0.00 0.00 179.01 179.59 1h37 n GLN 525 N -4.54 0.02 -0.01 2.33 6.02 -0.06 -2.66 117.38 118.47 1h37 n GLN 525 Ca 0.16 0.35 0.02 0.00 -0.01 0.00 0.00 57.00 57.53 1h37 n GLN 525 Cb 0.47 -1.50 0.03 0.00 1.02 0.00 0.00 30.24 30.26 1h37 n GLN 525 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1h37 n HIS 526 N -1.47 0.03 -1.62 1.08 8.25 -0.41 -4.99 115.22 116.09 1h37 n HIS 526 Ca 0.02 -0.08 -0.44 0.00 -0.26 0.00 0.00 57.72 56.96 1h37 n HIS 526 Cb 0.08 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.15 1h37 n HIS 526 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1h37 n GLN 527 N 0.20 2.22 -0.71 -0.41 7.27 -1.09 -4.76 117.38 120.09 1h37 n GLN 527 Ca 0.03 0.71 -0.30 0.00 0.07 0.00 0.00 57.00 57.51 1h37 n GLN 527 Cb 0.14 -3.04 0.19 0.00 2.41 0.00 0.00 30.24 29.94 1h37 n GLN 527 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 1h37 s ASN 528 N 6.54 2.44 0.27 1.69 0.01 -0.35 -4.88 114.94 120.65 1h37 s ASN 528 Ca 0.97 1.92 -0.02 0.00 -0.71 0.00 0.00 52.86 55.02 1h37 s ASN 528 Cb -0.45 -2.46 0.43 0.00 0.41 0.00 0.00 41.25 39.18 1h37 s ASN 528 CO 0.40 -3.36 1.87 1.55 -1.51 0.00 0.00 177.10 176.05 1h37 h PRO 529 N -2.05 1.10 0.00 -0.60 0.13 -1.92 -1.86 132.00 126.80 1h37 h PRO 529 Ca -0.49 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 1h37 h PRO 529 Cb 1.29 -0.25 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1h37 h PRO 529 CO 0.46 0.73 0.00 -0.40 -0.23 0.00 0.00 178.00 178.55 1h37 n ASP 530 N -4.53 0.00 0.00 1.44 5.68 -1.26 -4.79 116.55 113.09 1h37 n ASP 530 Ca 0.16 -0.25 0.00 0.00 -0.50 0.00 0.00 54.79 54.20 1h37 n ASP 530 Cb 0.22 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.20 1h37 n ASP 530 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1h37 n GLY 531 N -0.53 2.24 2.28 6.12 0.00 -0.70 -4.67 105.19 109.93 1h37 n GLY 531 Ca 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 1h37 n GLY 531 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h37 n GLY 532 N -2.00 2.05 3.32 -0.02 0.00 -1.26 -2.87 105.19 104.41 1h37 n GLY 532 Ca 0.00 -2.19 -0.22 0.00 0.00 0.00 0.00 46.02 43.61 1h37 n GLY 532 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1h37 s TRP 533 N -1.16 1.78 -0.18 1.61 0.51 -1.26 -1.21 118.94 119.03 1h37 s TRP 533 Ca 0.34 -0.47 -0.28 0.00 -2.12 0.00 0.00 56.10 53.56 1h37 s TRP 533 Cb -0.03 -0.90 0.09 0.00 -0.81 0.00 0.00 33.47 31.82 1h37 s TRP 533 CO 0.21 0.31 0.79 0.20 -0.51 0.00 0.00 176.95 177.95 1h37 s GLY 534 N -2.61 -0.45 -0.04 0.98 0.00 -1.26 -1.32 107.32 102.62 1h37 s GLY 534 Ca 0.15 1.89 -0.00 0.00 0.00 0.00 0.00 44.72 46.76 1h37 s GLY 534 CO 0.06 1.40 0.01 1.85 0.00 0.00 0.00 173.10 176.42 1h37 s GLU 535 N -0.37 0.36 0.43 2.90 2.12 -1.25 -2.77 118.70 120.12 1h37 s GLU 535 Ca -0.03 0.12 -0.13 0.00 0.36 0.00 0.00 54.97 55.29 1h37 s GLU 535 Cb -0.03 -0.65 -0.07 0.00 0.26 0.00 0.00 34.13 33.64 1h37 s GLU 535 CO 0.03 -0.21 0.84 0.34 -0.54 0.00 0.00 175.26 175.72 1h37 s ASP 536 N 1.47 6.59 0.00 -1.70 2.15 0.12 -4.85 116.67 120.44 1h37 s ASP 536 Ca -0.03 1.30 0.07 0.00 0.43 0.00 0.00 52.55 54.32 1h37 s ASP 536 Cb -0.13 -2.39 0.34 0.00 -0.30 0.00 0.00 42.92 40.44 1h37 s ASP 536 CO -0.03 -0.44 1.13 0.00 -0.17 0.00 0.00 175.17 175.66 1h37 h ARG 538 N 0.00 0.00 0.00 0.00 3.08 -1.93 -3.10 114.38 112.42 1h37 h ARG 538 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1h37 h ARG 538 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1h37 h ARG 538 CO 0.00 0.06 0.02 -1.13 -1.07 0.00 0.00 179.97 177.85 1h37 n SER 539 N -3.17 0.00 -0.02 7.04 3.41 -0.67 0.05 113.62 120.26 1h37 n SER 539 Ca 0.01 0.29 -0.06 0.00 -0.26 0.00 0.00 58.87 58.85 1h37 n SER 539 Cb 0.37 -0.29 -0.13 0.00 -0.26 0.00 0.00 64.21 63.90 1h37 n SER 539 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1h37 n TYR 540 N -1.28 0.89 -0.05 7.33 4.01 -1.17 -4.41 117.16 122.48 1h37 n TYR 540 Ca 0.00 0.32 -0.21 0.00 -0.16 0.00 0.00 57.90 57.85 1h37 n TYR 540 Cb 0.02 -1.14 -0.13 0.00 -0.31 0.00 0.00 39.34 37.78 1h37 n TYR 540 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1h37 n GLU 541 N -2.97 0.70 -3.85 -0.72 -0.58 0.11 -4.78 120.64 108.55 1h37 n GLU 541 Ca -0.16 0.28 -0.28 0.00 -0.42 0.00 0.00 57.16 56.57 1h37 n GLU 541 Cb 1.00 -1.66 -0.16 0.00 -0.57 0.00 0.00 31.44 30.05 1h37 n GLU 541 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1h37 s ASP 542 N -6.93 2.94 0.15 1.62 2.15 0.05 -5.01 116.67 111.64 1h37 s ASP 542 Ca -0.27 -0.76 0.07 0.00 0.43 0.00 0.00 52.55 52.02 1h37 s ASP 542 Cb 0.08 -0.84 0.37 0.00 -0.30 0.00 0.00 42.92 42.22 1h37 s ASP 542 CO 0.69 -0.23 1.08 -0.81 -0.17 0.00 0.00 175.17 175.74 1h37 n PRO 543 N 4.91 0.05 0.28 4.34 -0.04 -1.26 -1.19 135.00 142.07 1h37 n PRO 543 Ca -0.11 0.45 0.17 0.00 -0.04 0.00 0.00 63.50 63.97 1h37 n PRO 543 Cb 0.47 -1.84 0.69 0.00 -0.04 0.00 0.00 33.50 32.78 1h37 n PRO 543 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1h37 h ALA 544 N 1.36 1.01 -0.02 0.55 0.00 -1.93 -2.94 119.26 117.29 1h37 h ALA 544 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1h37 h ALA 544 Cb 0.39 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1h37 h ALA 544 CO 0.00 0.02 -0.03 0.66 0.00 0.00 0.00 179.25 179.91 1h37 n TYR 545 N -3.12 0.00 -1.64 0.00 4.01 -0.34 -4.79 117.16 111.28 1h37 n TYR 545 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 1h37 n TYR 545 Cb 0.31 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.30 1h37 n TYR 545 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1h37 n ALA 546 N 0.65 1.54 -0.91 -0.72 0.00 -1.11 -0.02 120.51 119.95 1h37 n ALA 546 Ca 0.16 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.68 1h37 n ALA 546 Cb 0.47 -2.73 0.00 0.00 0.00 0.00 0.00 19.45 17.19 1h37 n ALA 546 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1h37 n GLY 547 N 4.97 1.09 3.72 0.00 0.00 -1.26 -5.01 105.19 108.69 1h37 n GLY 547 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 1h37 n GLY 547 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h37 s LYS 548 N -0.04 2.92 0.00 1.61 1.02 0.97 -4.55 119.74 121.67 1h37 s LYS 548 Ca 0.00 -0.52 0.00 0.00 0.02 0.00 0.00 55.97 55.47 1h37 s LYS 548 Cb 0.00 -2.76 0.00 0.00 -0.52 0.00 0.00 37.83 34.55 1h37 s LYS 548 CO 0.00 0.65 0.00 0.41 -0.92 0.00 0.00 175.35 175.49 1h37 n GLY 549 N 1.51 3.29 3.71 -3.33 0.00 -1.11 0.11 105.19 109.36 1h37 n GLY 549 Ca -0.15 -1.45 -0.37 0.00 0.00 0.00 0.00 46.02 44.05 1h37 n GLY 549 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h37 n ALA 550 N -1.68 1.00 -1.96 4.61 0.00 -1.26 -4.15 120.51 117.06 1h37 n ALA 550 Ca 0.00 0.02 -0.41 0.00 0.00 0.00 0.00 53.44 53.05 1h37 n ALA 550 Cb 0.00 -2.29 -0.04 0.00 0.00 0.00 0.00 19.45 17.12 1h37 n ALA 550 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1h37 s SER 551 N -1.30 7.31 0.11 0.00 0.01 -1.26 -4.06 113.70 114.52 1h37 s SER 551 Ca 0.80 2.11 0.07 0.00 1.31 0.00 0.00 55.95 60.25 1h37 s SER 551 Cb -0.39 -2.61 -0.04 0.00 0.21 0.00 0.00 66.02 63.19 1h37 s SER 551 CO 0.43 -0.16 -0.18 0.42 0.41 0.00 0.00 173.24 174.16 1h37 s THR 552 N -0.55 1.53 0.22 1.44 -4.23 -0.43 -4.92 115.64 108.70 1h37 s THR 552 Ca 0.47 -1.61 -0.08 0.00 -1.18 0.00 0.00 61.69 59.29 1h37 s THR 552 Cb -0.30 -1.51 0.16 0.00 1.34 0.00 0.00 72.50 72.19 1h37 s THR 552 CO 0.36 -0.22 1.80 -0.65 -0.54 0.00 0.00 174.62 175.37 1h37 h PRO 553 N 3.83 0.67 0.62 3.99 0.11 -1.87 -0.70 132.00 138.66 1h37 h PRO 553 Ca -0.43 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 1h37 h PRO 553 Cb 1.19 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 32.16 1h37 h PRO 553 CO 0.44 0.45 -0.30 0.66 -0.21 0.00 0.00 178.00 179.04 1h37 h SER 554 N 0.69 -0.71 -0.25 -2.05 4.64 -1.84 -1.91 113.55 112.12 1h37 h SER 554 Ca 0.32 -0.02 0.03 0.00 -0.47 0.00 0.00 61.79 61.65 1h37 h SER 554 Cb 0.23 0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 1h37 h SER 554 CO -0.20 -0.35 0.17 1.56 -0.87 0.00 0.00 176.83 177.14 1h37 h GLN 555 N -1.11 0.20 -0.29 4.77 4.20 -1.82 0.26 115.11 121.31 1h37 h GLN 555 Ca -0.09 -0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.57 1h37 h GLN 555 Cb 0.69 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.41 1h37 h GLN 555 CO 0.14 0.13 0.01 1.15 -0.67 0.00 0.00 178.83 179.59 1h37 h THR 556 N 0.20 1.25 -0.42 -0.54 2.02 -1.10 -2.07 112.91 112.25 1h37 h THR 556 Ca 0.11 -0.90 -0.02 0.00 0.77 0.00 0.00 66.41 66.36 1h37 h THR 556 Cb 0.18 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.83 1h37 h THR 556 CO -0.02 0.29 0.17 0.00 0.37 0.00 0.00 175.52 176.34 1h37 h ALA 557 N 0.84 1.52 0.13 6.16 0.00 -0.19 -0.40 119.26 127.32 1h37 h ALA 557 Ca 0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1h37 h ALA 557 Cb 0.41 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1h37 h ALA 557 CO 0.01 0.38 -0.06 -1.49 0.00 0.00 0.00 179.25 178.09 1h37 h TRP 558 N 0.59 -0.16 -0.39 0.00 6.55 -0.77 -0.93 115.95 120.84 1h37 h TRP 558 Ca 0.15 -0.00 -0.00 0.00 0.95 0.00 0.00 58.89 59.98 1h37 h TRP 558 Cb 0.11 0.05 -0.02 0.00 -0.86 0.00 0.00 29.16 28.44 1h37 h TRP 558 CO 0.01 0.22 0.23 0.00 -1.05 0.00 0.00 178.44 177.85 1h37 h ALA 559 N 0.21 1.67 -0.21 1.49 0.00 -1.26 -1.14 119.26 120.01 1h37 h ALA 559 Ca -0.02 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1h37 h ALA 559 Cb 0.45 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1h37 h ALA 559 CO 0.03 0.29 -0.21 1.25 0.00 0.00 0.00 179.25 180.61 1h37 h LEU 560 N 0.54 0.36 -0.26 0.00 5.85 -0.87 -2.32 115.31 118.61 1h37 h LEU 560 Ca 0.14 -0.11 -0.21 0.00 0.84 0.00 0.00 57.88 58.55 1h37 h LEU 560 Cb -0.01 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 40.92 1h37 h LEU 560 CO -0.03 0.59 -0.87 0.24 -0.34 0.00 0.00 178.44 178.03 1h37 h MET 561 N 0.34 0.35 -0.59 1.25 2.86 0.04 -1.25 114.93 117.92 1h37 h MET 561 Ca 0.06 -0.36 -0.00 0.00 -2.06 0.00 0.00 59.70 57.34 1h37 h MET 561 Cb 0.57 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.29 1h37 h MET 561 CO 0.04 1.03 0.36 0.00 1.06 0.00 0.00 176.91 179.40 1h37 h ALA 562 N 0.85 0.75 0.17 6.32 0.00 -1.06 -0.26 119.26 126.04 1h37 h ALA 562 Ca -0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1h37 h ALA 562 Cb 1.49 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1h37 h ALA 562 CO 0.15 0.23 -0.08 -0.07 0.00 0.00 0.00 179.25 179.47 1h37 h LEU 563 N 0.80 -0.20 -0.88 0.00 3.38 -1.34 -1.23 115.31 115.83 1h37 h LEU 563 Ca 0.21 -0.26 0.12 0.00 0.09 0.00 0.00 57.88 58.05 1h37 h LEU 563 Cb -0.02 0.05 -0.09 0.00 0.09 0.00 0.00 40.66 40.69 1h37 h LEU 563 CO -0.04 0.17 0.50 0.40 0.09 0.00 0.00 178.44 179.56 1h37 h ILE 564 N -0.59 0.83 -0.29 1.22 2.04 -1.11 -1.85 117.51 117.76 1h37 h ILE 564 Ca -0.02 -0.26 -0.04 0.00 1.00 0.00 0.00 64.86 65.53 1h37 h ILE 564 Cb 0.44 -0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 1h37 h ILE 564 CO 0.04 0.14 0.02 0.00 0.00 0.00 0.00 178.15 178.34 1h37 h ALA 565 N 1.52 0.38 0.00 1.87 0.00 -0.99 -2.95 119.26 119.10 1h37 h ALA 565 Ca 0.45 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1h37 h ALA 565 Cb 0.53 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1h37 h ALA 565 CO -0.30 0.11 0.00 0.41 0.00 0.00 0.00 179.25 179.47 1h37 n GLY 566 N -0.37 -0.53 2.21 0.00 0.00 -0.47 -4.84 105.19 101.18 1h37 n GLY 566 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1h37 n GLY 566 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h37 n GLY 567 N 0.21 3.13 1.36 -0.02 0.00 -1.05 -4.89 105.19 103.92 1h37 n GLY 567 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1h37 n GLY 567 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h37 n ARG 568 N -1.61 0.82 0.13 1.61 1.74 -0.92 -4.18 116.66 114.25 1h37 n ARG 568 Ca 0.00 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.06 1h37 n ARG 568 Cb 0.00 -1.09 0.20 0.00 -1.02 0.00 0.00 32.46 30.56 1h37 n ARG 568 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1h37 h ALA 569 N 1.72 1.05 -0.87 7.54 0.00 -1.79 -3.03 119.26 123.88 1h37 h ALA 569 Ca 0.00 -0.49 -0.58 0.00 0.00 0.00 0.00 54.91 53.84 1h37 h ALA 569 Cb 0.82 -0.09 -0.25 0.00 0.00 0.00 0.00 17.79 18.27 1h37 h ALA 569 CO 0.00 0.67 0.75 -1.91 0.00 0.00 0.00 179.25 178.76 1h37 n GLU 570 N -3.92 2.43 -3.25 0.00 2.13 -1.26 -4.48 120.64 112.29 1h37 n GLU 570 Ca -0.02 -2.84 -0.20 0.00 0.66 0.00 0.00 57.16 54.77 1h37 n GLU 570 Cb 0.55 -2.11 0.02 0.00 0.27 0.00 0.00 31.44 30.17 1h37 n GLU 570 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1h37 s SER 571 N -1.30 5.17 -0.03 4.31 0.15 -1.15 -4.98 113.70 115.87 1h37 s SER 571 Ca 0.56 -0.78 -0.14 0.00 0.70 0.00 0.00 55.95 56.29 1h37 s SER 571 Cb 0.44 -0.10 -0.08 0.00 -1.71 0.00 0.00 66.02 64.58 1h37 s SER 571 CO 0.00 -1.03 0.64 -0.08 1.20 0.00 0.00 173.24 173.98 1h37 h GLU 572 N 0.54 -0.50 -0.87 5.44 4.57 -1.92 -1.48 114.58 120.36 1h37 h GLU 572 Ca -0.36 0.03 0.23 0.00 -1.18 0.00 0.00 59.36 58.08 1h37 h GLU 572 Cb 1.28 0.11 -0.13 0.00 -0.16 0.00 0.00 28.75 29.85 1h37 h GLU 572 CO 0.47 -0.33 0.28 0.00 -1.18 0.00 0.00 179.01 178.25 1h37 h ALA 573 N -1.26 1.31 0.82 2.92 0.00 -1.97 0.40 119.26 121.48 1h37 h ALA 573 Ca -0.05 0.20 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1h37 h ALA 573 Cb 0.40 0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.46 1h37 h ALA 573 CO 0.09 -0.43 -0.39 0.00 0.00 0.00 0.00 179.25 178.51 1h37 h ALA 574 N 1.75 -1.10 -0.20 0.00 0.00 -1.80 -1.08 119.26 116.83 1h37 h ALA 574 Ca 0.55 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 1h37 h ALA 574 Cb 1.08 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 1h37 h ALA 574 CO -0.61 -1.09 0.02 -0.09 0.00 0.00 0.00 179.25 177.48 1h37 h ARG 575 N -1.16 0.28 0.04 0.00 2.43 -0.30 -2.15 114.38 113.51 1h37 h ARG 575 Ca -0.11 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.02 1h37 h ARG 575 Cb 0.85 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.35 1h37 h ARG 575 CO 0.19 0.29 -0.02 0.00 -1.51 0.00 0.00 179.97 178.92 1h37 h ARG 576 N 0.28 -0.05 -0.65 0.20 2.47 -0.07 -1.78 114.38 114.77 1h37 h ARG 576 Ca 0.07 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.79 1h37 h ARG 576 Cb 0.16 0.01 -0.03 0.00 -1.65 0.00 0.00 29.97 28.46 1h37 h ARG 576 CO 0.00 -0.02 0.38 0.78 0.56 0.00 0.00 179.97 181.67 1h37 h GLY 577 N -0.07 0.95 1.40 0.04 0.00 -0.70 -1.69 103.07 102.99 1h37 h GLY 577 Ca -0.01 -0.40 -0.06 0.00 0.00 0.00 0.00 47.33 46.87 1h37 h GLY 577 CO 0.01 0.38 0.04 -2.08 0.00 0.00 0.00 176.54 174.90 1h37 h VAL 578 N 0.90 1.23 -0.11 4.60 2.07 -1.11 -2.30 116.25 121.53 1h37 h VAL 578 Ca 0.23 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.86 1h37 h VAL 578 Cb -0.01 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 1h37 h VAL 578 CO -0.04 0.32 0.07 -0.61 0.02 0.00 0.00 177.57 177.32 1h37 h GLN 579 N 0.71 0.15 -0.36 1.57 5.75 -0.44 -1.74 115.11 120.75 1h37 h GLN 579 Ca 0.15 -0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.70 1h37 h GLN 579 Cb 0.37 -0.03 -0.09 0.00 1.07 0.00 0.00 27.48 28.80 1h37 h GLN 579 CO 0.01 0.15 -0.41 -0.92 -2.65 0.00 0.00 178.83 175.00 1h37 h TYR 580 N 0.11 -1.20 -0.78 3.99 5.03 -0.85 -0.15 116.97 123.12 1h37 h TYR 580 Ca 0.04 0.06 0.00 0.00 2.58 0.00 0.00 58.73 61.42 1h37 h TYR 580 Cb 0.04 0.58 -0.04 0.00 1.55 0.00 0.00 36.73 38.86 1h37 h TYR 580 CO -0.05 -0.44 0.50 -0.07 -1.32 0.00 0.00 178.16 176.78 1h37 h LEU 581 N -0.35 0.91 -0.42 2.82 3.38 -1.34 -0.49 115.31 119.83 1h37 h LEU 581 Ca 0.13 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 1h37 h LEU 581 Cb 0.59 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1h37 h LEU 581 CO -0.54 0.67 0.13 0.58 0.09 0.00 0.00 178.44 179.38 1h37 h VAL 582 N 1.06 1.22 0.35 1.22 2.07 -0.28 -2.79 116.25 119.10 1h37 h VAL 582 Ca 0.28 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 67.07 1h37 h VAL 582 Cb -0.09 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1h37 h VAL 582 CO -0.06 0.25 -0.17 -0.33 0.02 0.00 0.00 177.57 177.29 1h37 h GLU 583 N 0.53 -0.45 0.00 1.57 5.08 -0.74 -3.26 114.58 117.31 1h37 h GLU 583 Ca 0.13 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1h37 h GLU 583 Cb 0.26 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1h37 h GLU 583 CO -0.00 -0.30 0.08 0.25 -1.00 0.00 0.00 179.01 178.04 1h37 n THR 584 N -4.68 1.09 -2.18 1.13 -2.24 -0.22 -4.69 114.28 102.49 1h37 n THR 584 Ca -0.06 0.35 -0.39 0.00 -2.27 0.00 0.00 64.05 61.69 1h37 n THR 584 Cb 0.18 -1.35 -0.01 0.00 -2.10 0.00 0.00 70.33 67.05 1h37 n THR 584 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1h37 s GLN 585 N -2.48 4.00 0.84 -0.78 0.74 -1.05 -4.69 119.66 116.23 1h37 s GLN 585 Ca 0.00 1.98 -0.12 0.00 0.05 0.00 0.00 55.36 57.27 1h37 s GLN 585 Cb 0.00 -2.70 0.12 0.00 1.10 0.00 0.00 33.01 31.53 1h37 s GLN 585 CO 0.00 -0.41 1.19 1.03 -0.55 0.00 0.00 175.29 176.54 1h37 s ARG 586 N -2.28 1.54 0.32 1.67 0.52 -0.35 -4.98 118.95 115.39 1h37 s ARG 586 Ca 0.57 -0.22 0.11 0.00 -0.52 0.00 0.00 55.73 55.68 1h37 s ARG 586 Cb -0.34 -1.98 0.55 0.00 0.52 0.00 0.00 34.95 33.69 1h37 s ARG 586 CO 0.43 -1.80 1.72 -1.35 0.02 0.00 0.00 175.30 174.33 1h37 h PRO 587 N -1.14 0.01 0.00 3.54 0.11 -1.96 -2.92 132.00 129.64 1h37 h PRO 587 Ca -0.45 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1h37 h PRO 587 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1h37 h PRO 587 CO 0.54 0.49 0.00 0.38 -0.21 0.00 0.00 178.00 179.20 1h37 h ASP 588 N 0.01 0.00 0.00 -2.05 3.04 -1.96 -3.47 116.42 111.99 1h37 h ASP 588 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 1h37 h ASP 588 Cb 0.86 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.15 1h37 h ASP 588 CO 0.06 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.87 1h37 n GLY 589 N 0.85 2.43 0.00 7.15 0.00 -1.10 -4.54 105.19 109.98 1h37 n GLY 589 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1h37 n GLY 589 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h37 n GLY 590 N -0.34 -0.69 3.23 -0.02 0.00 -1.26 -3.98 105.19 102.13 1h37 n GLY 590 Ca 0.00 -1.73 -0.13 0.00 0.00 0.00 0.00 46.02 44.16 1h37 n GLY 590 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1h37 s TRP 591 N -0.69 1.18 0.15 1.61 0.51 -1.26 -1.21 118.94 119.23 1h37 s TRP 591 Ca 0.00 -1.06 0.08 0.00 -2.12 0.00 0.00 56.10 52.99 1h37 s TRP 591 Cb 0.00 -0.67 -0.04 0.00 -0.81 0.00 0.00 33.47 31.95 1h37 s TRP 591 CO 0.00 -0.27 -0.07 -0.51 -0.51 0.00 0.00 176.95 175.60 1h37 s ASP 592 N -3.16 4.49 -0.46 2.95 1.01 -1.26 -4.82 116.67 115.41 1h37 s ASP 592 Ca 0.25 -0.44 0.07 0.00 0.71 0.00 0.00 52.55 53.14 1h37 s ASP 592 Cb 0.06 -0.87 0.18 0.00 1.01 0.00 0.00 42.92 43.31 1h37 s ASP 592 CO 0.04 0.13 0.66 -0.70 0.21 0.00 0.00 175.17 175.51 1h37 s GLU 593 N -2.61 0.95 0.00 8.23 2.12 -1.26 -4.52 118.70 121.61 1h37 s GLU 593 Ca 0.24 -0.78 0.05 0.00 0.36 0.00 0.00 54.97 54.85 1h37 s GLU 593 Cb -0.10 -0.08 0.32 0.00 0.26 0.00 0.00 34.13 34.53 1h37 s GLU 593 CO 0.16 -1.27 0.82 -0.35 -0.54 0.00 0.00 175.26 174.08 1h37 n PRO 594 N 3.60 0.54 -4.43 4.30 -0.04 -1.26 -4.75 135.00 132.96 1h37 n PRO 594 Ca 0.15 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.35 1h37 n PRO 594 Cb 0.55 -1.16 -0.12 0.00 -0.04 0.00 0.00 33.50 32.74 1h37 n PRO 594 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1h37 s TYR 595 N -2.00 2.28 -0.03 0.54 2.02 -1.26 -4.75 117.35 114.15 1h37 s TYR 595 Ca 0.08 -0.36 -0.24 0.00 -0.37 0.00 0.00 57.07 56.18 1h37 s TYR 595 Cb 0.04 -1.11 -0.04 0.00 -0.40 0.00 0.00 41.96 40.44 1h37 s TYR 595 CO 0.06 0.52 0.73 0.71 -1.57 0.00 0.00 175.55 176.00 1h37 s TYR 596 N -1.78 3.64 -0.11 2.71 1.51 -1.26 -4.92 117.35 117.13 1h37 s TYR 596 Ca 0.22 1.34 0.01 0.00 -1.01 0.00 0.00 57.07 57.63 1h37 s TYR 596 Cb -0.07 -2.82 0.03 0.00 -0.11 0.00 0.00 41.96 38.98 1h37 s TYR 596 CO 0.10 0.15 0.88 0.25 -1.11 0.00 0.00 175.55 175.82 1h37 n THR 597 N 3.44 0.70 -4.36 -0.71 -2.24 -1.25 -4.77 114.28 105.09 1h37 n THR 597 Ca -0.01 -0.85 -0.33 0.00 -2.27 0.00 0.00 64.05 60.59 1h37 n THR 597 Cb 0.51 0.66 -0.09 0.00 -2.10 0.00 0.00 70.33 69.30 1h37 n THR 597 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1h37 s GLY 598 N -0.73 1.83 -0.10 3.38 0.00 -0.79 -0.52 107.32 110.39 1h37 s GLY 598 Ca 0.02 -0.96 0.03 0.00 0.00 0.00 0.00 44.72 43.81 1h37 s GLY 598 CO 0.02 -0.81 -0.18 -1.59 0.00 0.00 0.00 173.10 170.54 1h37 s THR 599 N -1.03 2.63 -0.16 0.90 2.01 -1.13 -0.97 115.64 117.89 1h37 s THR 599 Ca 0.18 -0.83 -0.15 0.00 0.31 0.00 0.00 61.69 61.20 1h37 s THR 599 Cb -0.11 -2.05 -0.05 0.00 0.01 0.00 0.00 72.50 70.30 1h37 s THR 599 CO 0.08 0.55 -0.29 0.61 -0.69 0.00 0.00 174.62 174.88 1h37 n GLY 600 N 3.24 -0.66 2.71 4.40 0.00 0.20 -4.41 105.19 110.69 1h37 n GLY 600 Ca -0.18 -0.27 -0.20 0.00 0.00 0.00 0.00 46.02 45.37 1h37 n GLY 600 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h37 s PHE 601 N -2.66 0.21 0.10 1.61 0.08 -0.06 -4.94 117.98 112.32 1h37 s PHE 601 Ca -0.24 0.13 -0.36 0.00 0.12 0.00 0.00 56.93 56.58 1h37 s PHE 601 Cb 0.03 -0.52 -0.17 0.00 -0.57 0.00 0.00 43.02 41.80 1h37 s PHE 601 CO 0.36 -0.20 1.28 -2.30 -0.10 0.00 0.00 175.22 174.25 1h37 n PRO 602 N 5.06 1.07 -0.57 0.24 -0.02 -1.26 -0.73 135.00 138.78 1h37 n PRO 602 Ca -0.08 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1h37 n PRO 602 Cb 0.50 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 1h37 n PRO 602 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1h37 n GLY 603 N 2.34 0.38 0.00 -1.23 0.00 -1.26 -4.69 105.19 100.73 1h37 n GLY 603 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 1h37 n GLY 603 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1h37 n ASP 604 N 0.00 2.74 -3.68 1.61 8.00 0.09 -5.03 116.55 120.27 1h37 n ASP 604 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 1h37 n ASP 604 Cb 0.00 0.23 -0.13 0.00 -0.02 0.00 0.00 41.12 41.20 1h37 n ASP 604 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1h37 s PHE 605 N -1.57 -0.37 0.15 1.24 5.36 -0.49 -4.93 117.98 117.36 1h37 s PHE 605 Ca 0.00 0.89 0.11 0.00 -0.96 0.00 0.00 56.93 56.96 1h37 s PHE 605 Cb 0.00 -0.03 -0.04 0.00 -0.34 0.00 0.00 43.02 42.61 1h37 s PHE 605 CO 0.00 -0.31 -0.24 0.71 -1.46 0.00 0.00 175.22 173.92 1h37 s TYR 606 N 2.08 2.36 0.11 10.12 2.02 -1.26 -0.63 117.35 132.15 1h37 s TYR 606 Ca -0.02 -0.35 0.06 0.00 -0.37 0.00 0.00 57.07 56.40 1h37 s TYR 606 Cb -0.12 -1.24 -0.04 0.00 -0.40 0.00 0.00 41.96 40.17 1h37 s TYR 606 CO -0.08 0.40 -0.16 -0.51 -1.57 0.00 0.00 175.55 173.63 1h37 s LEU 607 N -2.27 2.35 -0.36 -1.29 1.43 -0.15 -4.44 118.68 113.95 1h37 s LEU 607 Ca 0.17 -0.74 -0.05 0.00 -1.03 0.00 0.00 54.13 52.49 1h37 s LEU 607 Cb -0.09 -0.64 0.07 0.00 0.03 0.00 0.00 46.19 45.55 1h37 s LEU 607 CO 0.08 -0.07 0.13 -0.83 0.23 0.00 0.00 176.35 175.89 1h37 s GLY 608 N -2.17 1.88 -0.80 -3.19 0.00 0.11 -1.89 107.32 101.26 1h37 s GLY 608 Ca 0.06 -2.05 -0.21 0.00 0.00 0.00 0.00 44.72 42.52 1h37 s GLY 608 CO 0.03 0.86 1.05 -0.19 0.00 0.00 0.00 173.10 174.86 1h37 s TYR 609 N 1.29 2.89 0.38 1.90 1.51 -1.26 -1.55 117.35 122.51 1h37 s TYR 609 Ca 0.01 -0.97 0.21 0.00 -1.01 0.00 0.00 57.07 55.31 1h37 s TYR 609 Cb -0.21 -4.30 1.25 0.00 -0.11 0.00 0.00 41.96 38.59 1h37 s TYR 609 CO -0.00 -1.58 1.64 1.15 -1.11 0.00 0.00 175.55 175.65 1h37 h THR 610 N 5.95 0.21 0.00 -0.71 2.02 -1.88 -0.35 112.91 118.15 1h37 h THR 610 Ca -0.06 -0.07 -0.14 0.00 0.77 0.00 0.00 66.41 66.91 1h37 h THR 610 Cb 1.05 -0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1h37 h THR 610 CO 1.16 0.04 -0.67 0.24 0.37 0.00 0.00 175.52 176.65 1h37 h MET 611 N 0.19 0.00 -0.86 6.66 2.86 -1.90 -3.36 114.93 118.53 1h37 h MET 611 Ca 0.77 0.00 0.22 0.00 -2.06 0.00 0.00 59.70 58.63 1h37 h MET 611 Cb 2.07 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 33.59 1h37 h MET 611 CO -0.54 0.67 0.15 1.88 1.06 0.00 0.00 176.91 180.13 1h37 h TYR 612 N 0.00 0.20 0.00 -0.22 -1.99 -1.47 0.13 116.97 113.62 1h37 h TYR 612 Ca -0.01 0.05 -0.00 0.00 2.00 0.00 0.00 58.73 60.77 1h37 h TYR 612 Cb 1.50 0.05 -0.00 0.00 2.00 0.00 0.00 36.73 40.27 1h37 h TYR 612 CO 0.00 -0.24 -0.01 0.07 -0.00 0.00 0.00 178.16 177.98 1h37 h ARG 613 N 0.16 0.00 0.00 4.88 0.11 -1.72 -2.53 114.38 115.28 1h37 h ARG 613 Ca 0.52 0.00 -0.38 0.00 0.10 0.00 0.00 59.98 60.22 1h37 h ARG 613 Cb 1.02 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 32.04 1h37 h ARG 613 CO -0.69 0.01 -2.38 0.72 0.10 0.00 0.00 179.97 177.74 1h37 n HIS 614 N -3.66 0.00 0.03 4.08 8.25 0.29 -4.34 115.22 119.87 1h37 n HIS 614 Ca -0.03 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.30 1h37 n HIS 614 Cb 0.09 -0.91 -0.09 0.00 1.12 0.00 0.00 29.99 30.20 1h37 n HIS 614 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1h37 h VAL 615 N -0.31 1.16 -0.66 1.59 2.07 -1.09 -3.10 116.25 115.91 1h37 h VAL 615 Ca -0.57 -0.94 -0.06 0.00 0.82 0.00 0.00 66.70 65.95 1h37 h VAL 615 Cb 1.74 1.76 -0.03 0.00 -1.52 0.00 0.00 31.29 33.23 1h37 h VAL 615 CO -0.19 0.23 0.17 -0.26 0.02 0.00 0.00 177.57 177.54 1h37 h PHE 616 N -0.54 1.08 -0.72 1.57 0.04 -1.68 -0.95 116.94 115.74 1h37 h PHE 616 Ca -0.01 -0.12 -0.07 0.00 2.80 0.00 0.00 57.97 60.58 1h37 h PHE 616 Cb 0.46 -0.31 -0.03 0.00 2.20 0.00 0.00 35.95 38.27 1h37 h PHE 616 CO 0.07 0.88 0.19 -1.35 -0.60 0.00 0.00 178.31 177.50 1h37 h PRO 617 N 0.99 1.15 -0.57 1.51 0.11 -1.75 0.12 132.00 133.56 1h37 h PRO 617 Ca 0.21 -0.27 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 1h37 h PRO 617 Cb 0.34 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 31.27 1h37 h PRO 617 CO -0.00 1.00 0.29 1.15 -0.21 0.00 0.00 178.00 180.23 1h37 h THR 618 N 1.09 1.20 -0.30 -1.15 2.02 -1.41 0.12 112.91 114.48 1h37 h THR 618 Ca 0.23 -0.54 -0.03 0.00 0.77 0.00 0.00 66.41 66.85 1h37 h THR 618 Cb 0.35 0.51 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1h37 h THR 618 CO -0.00 0.22 0.09 0.25 0.37 0.00 0.00 175.52 176.45 1h37 h LEU 619 N 0.77 0.44 -0.25 2.58 5.85 -0.84 0.83 115.31 124.68 1h37 h LEU 619 Ca 0.20 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.71 1h37 h LEU 619 Cb 0.09 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1h37 h LEU 619 CO -0.03 0.54 0.16 0.00 -0.34 0.00 0.00 178.44 178.77 1h37 h ALA 620 N 0.92 0.32 -0.34 1.25 0.00 -0.51 -0.59 119.26 120.32 1h37 h ALA 620 Ca 0.10 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1h37 h ALA 620 Cb 0.26 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1h37 h ALA 620 CO -0.00 -0.20 -0.08 -0.07 0.00 0.00 0.00 179.25 178.90 1h37 h LEU 621 N 0.33 0.54 -0.92 0.00 3.38 -0.87 -0.65 115.31 117.12 1h37 h LEU 621 Ca 0.09 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 1h37 h LEU 621 Cb -0.02 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1h37 h LEU 621 CO -0.02 0.66 0.02 1.23 0.09 0.00 0.00 178.44 180.42 1h37 h GLY 622 N 0.92 0.87 2.00 0.83 0.00 -0.25 -1.13 103.07 106.31 1h37 h GLY 622 Ca 0.10 -0.57 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 1h37 h GLY 622 CO 0.02 0.53 -0.08 3.21 0.00 0.00 0.00 176.54 180.22 1h37 h ARG 623 N 0.76 0.00 0.16 4.80 3.08 -0.57 -2.88 114.38 119.73 1h37 h ARG 623 Ca 0.15 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.90 1h37 h ARG 623 Cb 0.44 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.52 1h37 h ARG 623 CO 0.02 0.08 -1.27 -0.92 -1.07 0.00 0.00 179.97 176.81 1h37 h TYR 624 N 0.00 0.98 0.00 3.04 3.20 -0.66 -3.01 116.97 120.52 1h37 h TYR 624 Ca -0.00 -0.65 -0.02 0.00 3.14 0.00 0.00 58.73 61.21 1h37 h TYR 624 Cb 0.93 -0.07 -0.00 0.00 1.54 0.00 0.00 36.73 39.14 1h37 h TYR 624 CO 0.00 1.49 -0.08 -0.22 -1.64 0.00 0.00 178.16 177.70 1h37 h LYS 625 N 0.19 0.00 0.00 1.82 3.64 -1.18 -1.31 116.57 119.73 1h37 h LYS 625 Ca -0.20 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.00 1h37 h LYS 625 Cb 1.96 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.76 1h37 h LYS 625 CO 0.24 0.08 -0.83 1.96 -2.27 0.00 0.00 179.45 178.63 1h37 h GLN 626 N 0.00 0.00 0.00 1.90 1.08 -1.43 -2.54 115.11 114.12 1h37 h GLN 626 Ca -0.00 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 1h37 h GLN 626 Cb 0.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.73 1h37 h GLN 626 CO 0.01 0.83 0.00 0.00 -0.95 0.00 0.00 178.83 178.73 1h37 n ALA 627 N -2.38 2.30 -0.37 3.87 0.00 -0.49 -4.43 120.51 119.01 1h37 n ALA 627 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1h37 n ALA 627 Cb 0.80 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.97 1h37 n ALA 627 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1h37 n ILE 628 N -0.89 0.00 0.00 0.00 -0.00 -1.19 -4.98 119.36 112.30 1h37 n ILE 628 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.88 1h37 n ILE 628 Cb 0.06 -0.15 0.00 0.00 -0.00 0.00 0.00 39.64 39.55 1h37 n ILE 628 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.55 177.76