#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i53 n ALA 6 N 0.00 2.68 0.50 0.00 0.00 -1.26 -3.86 120.51 118.58 3i53 n ALA 6 Ca 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 53.44 53.19 3i53 n ALA 6 Cb 0.00 -1.38 0.05 0.00 0.00 0.00 0.00 19.45 18.12 3i53 n ALA 6 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3i53 n HIS 7 N -1.25 0.66 -0.06 0.00 -0.00 -1.26 -4.11 115.22 109.21 3i53 n HIS 7 Ca 0.11 -0.70 -0.13 0.00 -0.00 0.00 0.00 57.72 57.01 3i53 n HIS 7 Cb 0.29 -0.37 -0.04 0.00 -0.00 0.00 0.00 29.99 29.87 3i53 n HIS 7 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 3i53 n ILE 8 N 0.13 0.79 0.00 0.61 2.08 -1.25 -5.14 119.36 116.57 3i53 n ILE 8 Ca 0.12 -0.12 0.00 0.00 0.56 0.00 0.00 62.75 63.31 3i53 n ILE 8 Cb 0.72 -1.71 0.00 0.00 -0.75 0.00 0.00 39.64 37.90 3i53 n ILE 8 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3i53 n GLY 9 N 2.24 3.92 0.37 7.39 0.00 -1.26 -4.75 105.19 113.11 3i53 n GLY 9 Ca -0.23 -1.32 -0.11 0.00 0.00 0.00 0.00 46.02 44.37 3i53 n GLY 9 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3i53 h LEU 10 N 0.00 -1.71 -0.51 0.99 5.85 -1.98 -0.57 115.31 117.38 3i53 h LEU 10 Ca 0.00 0.24 0.08 0.00 0.84 0.00 0.00 57.88 59.04 3i53 h LEU 10 Cb 0.00 0.73 -0.07 0.00 0.37 0.00 0.00 40.66 41.69 3i53 h LEU 10 CO 0.00 -0.27 0.14 0.03 -0.34 0.00 0.00 178.44 178.00 3i53 h ARG 11 N -0.18 0.29 -0.24 1.25 3.08 -1.97 -1.59 114.38 115.01 3i53 h ARG 11 Ca 0.10 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 3i53 h ARG 11 Cb 0.43 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 3i53 h ARG 11 CO -0.64 0.19 0.02 0.00 -1.07 0.00 0.00 179.97 178.46 3i53 h ALA 12 N 1.38 1.58 0.00 0.04 0.00 -1.68 -0.56 119.26 120.02 3i53 h ALA 12 Ca 0.26 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3i53 h ALA 12 Cb 0.32 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3i53 h ALA 12 CO -0.30 0.31 -0.23 1.25 0.00 0.00 0.00 179.25 180.28 3i53 h LEU 13 N 0.35 0.00 -1.97 0.00 5.85 -0.19 -2.79 115.31 116.56 3i53 h LEU 13 Ca 0.08 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3i53 h LEU 13 Cb 0.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.24 3i53 h LEU 13 CO 0.00 0.23 0.00 0.00 -0.34 0.00 0.00 178.44 178.33 3i53 n ALA 14 N -2.21 2.46 -1.71 1.25 0.00 -0.35 -4.99 120.51 114.95 3i53 n ALA 14 Ca 0.00 -0.72 -0.43 0.00 0.00 0.00 0.00 53.44 52.29 3i53 n ALA 14 Cb 0.45 -0.81 -0.02 0.00 0.00 0.00 0.00 19.45 19.07 3i53 n ALA 14 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3i53 n ASP 15 N 1.36 3.38 -0.01 0.00 2.03 -0.41 -4.89 116.55 118.01 3i53 n ASP 15 Ca 0.15 1.14 0.02 0.00 0.52 0.00 0.00 54.79 56.62 3i53 n ASP 15 Cb 0.60 -1.52 -0.06 0.00 -0.72 0.00 0.00 41.12 39.42 3i53 n ASP 15 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3i53 n LEU 16 N 2.18 0.00 0.11 -2.67 4.77 -1.26 -4.65 117.00 115.48 3i53 n LEU 16 Ca 0.10 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.95 3i53 n LEU 16 Cb 0.34 0.04 -0.06 0.00 -2.33 0.00 0.00 43.42 41.42 3i53 n LEU 16 CO 0.63 0.04 0.69 0.00 -1.33 0.00 0.00 177.39 177.42 3i53 h ALA 17 N 0.59 -0.45 -0.17 -1.18 0.00 -1.99 -2.08 119.26 113.98 3i53 h ALA 17 Ca -0.04 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3i53 h ALA 17 Cb 0.59 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3i53 h ALA 17 CO 0.00 -0.80 0.05 1.15 0.00 0.00 0.00 179.25 179.65 3i53 h THR 18 N -0.48 1.18 -0.89 0.00 2.02 -1.99 -0.03 112.91 112.73 3i53 h THR 18 Ca 0.03 -0.57 0.02 0.00 0.77 0.00 0.00 66.41 66.66 3i53 h THR 18 Cb 0.50 1.25 -0.05 0.00 -1.74 0.00 0.00 68.15 68.12 3i53 h THR 18 CO -0.15 0.18 0.58 -0.65 0.37 0.00 0.00 175.52 175.84 3i53 h PRO 19 N 0.09 1.12 -0.06 6.66 0.11 -1.82 -0.88 132.00 137.22 3i53 h PRO 19 Ca 0.05 -0.07 -0.18 0.00 0.11 0.00 0.00 66.00 65.92 3i53 h PRO 19 Cb 0.23 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 3i53 h PRO 19 CO -0.00 0.74 -0.72 0.52 -0.21 0.00 0.00 178.00 178.32 3i53 h MET 20 N 1.15 0.33 -0.48 1.05 2.86 -1.34 -2.05 114.93 116.45 3i53 h MET 20 Ca 0.34 -0.27 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 3i53 h MET 20 Cb -0.05 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 3i53 h MET 20 CO -0.10 0.92 0.26 0.00 1.06 0.00 0.00 176.91 179.05 3i53 h ALA 21 N 1.00 0.62 -0.43 6.32 0.00 -0.44 0.21 119.26 126.54 3i53 h ALA 21 Ca -0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3i53 h ALA 21 Cb 1.29 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3i53 h ALA 21 CO 0.12 0.14 0.22 0.28 0.00 0.00 0.00 179.25 180.02 3i53 h VAL 22 N 0.64 1.17 -0.34 0.00 2.07 -1.13 -1.21 116.25 117.44 3i53 h VAL 22 Ca 0.17 -0.46 -0.07 0.00 0.82 0.00 0.00 66.70 67.16 3i53 h VAL 22 Cb 0.06 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 3i53 h VAL 22 CO -0.03 0.18 -0.09 0.03 0.02 0.00 0.00 177.57 177.68 3i53 h ARG 23 N 0.56 0.57 -0.13 1.57 3.08 -0.90 0.36 114.38 119.49 3i53 h ARG 23 Ca 0.15 -0.16 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 3i53 h ARG 23 Cb 0.09 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 3i53 h ARG 23 CO -0.02 0.66 -0.10 0.28 -1.07 0.00 0.00 179.97 179.72 3i53 h VAL 24 N 0.53 1.34 -0.77 2.04 2.07 -0.34 -1.22 116.25 119.89 3i53 h VAL 24 Ca 0.10 -1.20 0.01 0.00 0.82 0.00 0.00 66.70 66.42 3i53 h VAL 24 Cb 0.48 1.86 -0.04 0.00 -1.52 0.00 0.00 31.29 32.07 3i53 h VAL 24 CO 0.03 0.35 0.51 0.00 0.02 0.00 0.00 177.57 178.47 3i53 h ALA 25 N 0.62 0.97 -0.48 1.67 0.00 -1.04 0.22 119.26 121.23 3i53 h ALA 25 Ca 0.02 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3i53 h ALA 25 Cb 0.60 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3i53 h ALA 25 CO 0.03 0.38 0.31 0.00 0.00 0.00 0.00 179.25 179.97 3i53 h ALA 26 N 1.28 0.61 -0.61 0.00 0.00 -0.86 -1.32 119.26 118.36 3i53 h ALA 26 Ca 0.28 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 3i53 h ALA 26 Cb -0.12 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 3i53 h ALA 26 CO -0.06 0.03 0.16 1.15 0.00 0.00 0.00 179.25 180.53 3i53 h THR 27 N 0.62 1.25 -0.00 0.00 2.02 -0.37 -2.45 112.91 113.99 3i53 h THR 27 Ca 0.18 -0.89 0.00 0.00 0.77 0.00 0.00 66.41 66.47 3i53 h THR 27 Cb -0.05 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 3i53 h THR 27 CO -0.05 0.34 0.00 0.18 0.37 0.00 0.00 175.52 176.35 3i53 n LEU 28 N -4.35 0.03 -3.58 2.58 4.77 0.71 -4.90 117.00 112.26 3i53 n LEU 28 Ca 0.03 -0.01 -0.27 0.00 -0.03 0.00 0.00 56.01 55.74 3i53 n LEU 28 Cb 0.23 -0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.34 3i53 n LEU 28 CO 0.41 0.00 0.04 0.54 -1.33 0.00 0.00 177.39 177.06 3i53 n ARG 29 N -0.97 -4.71 -0.23 3.23 1.74 -0.53 -4.78 116.66 110.39 3i53 n ARG 29 Ca 0.24 0.61 0.02 0.00 -0.77 0.00 0.00 57.85 57.95 3i53 n ARG 29 Cb 0.11 -5.44 0.14 0.00 -1.02 0.00 0.00 32.46 26.26 3i53 n ARG 29 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3i53 h VAL 30 N -1.60 0.74 -0.59 1.55 2.07 -1.74 -2.12 116.25 114.58 3i53 h VAL 30 Ca -0.52 -0.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.83 3i53 h VAL 30 Cb 1.35 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 3i53 h VAL 30 CO 0.61 0.09 0.32 0.00 0.02 0.00 0.00 177.57 178.60 3i53 h ALA 31 N 1.47 1.46 -0.02 1.67 0.00 -1.87 -1.81 119.26 120.15 3i53 h ALA 31 Ca 0.36 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 55.02 3i53 h ALA 31 Cb 0.47 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3i53 h ALA 31 CO -0.34 0.45 -0.69 -0.44 0.00 0.00 0.00 179.25 178.23 3i53 h ASP 32 N 0.81 0.12 -0.21 0.00 3.32 -1.71 -2.44 116.42 116.31 3i53 h ASP 32 Ca 0.21 -0.08 -0.10 0.00 0.02 0.00 0.00 57.03 57.08 3i53 h ASP 32 Cb 0.03 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.54 3i53 h ASP 32 CO -0.03 0.77 -0.24 0.45 -1.72 0.00 0.00 179.24 178.46 3i53 h HIS 33 N 0.07 0.66 -0.04 4.55 3.86 -0.90 -1.92 115.15 121.42 3i53 h HIS 33 Ca -0.01 -0.21 -0.11 0.00 -1.16 0.00 0.00 60.37 58.88 3i53 h HIS 33 Cb 1.23 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 29.55 3i53 h HIS 33 CO 0.01 0.90 -0.50 -0.84 0.86 0.00 0.00 177.93 178.37 3i53 h ILE 34 N 0.23 1.35 0.00 2.45 3.07 -1.06 0.09 117.51 123.64 3i53 h ILE 34 Ca 0.03 -1.72 -0.03 0.00 1.55 0.00 0.00 64.86 64.69 3i53 h ILE 34 Cb 0.80 1.88 -0.00 0.00 -0.27 0.00 0.00 36.82 39.23 3i53 h ILE 34 CO 0.06 0.50 -0.12 0.00 -1.05 0.00 0.00 178.15 177.54 3i53 h ALA 35 N 1.41 1.00 -0.00 0.16 0.00 -1.38 -2.38 119.26 118.07 3i53 h ALA 35 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3i53 h ALA 35 Cb 0.91 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3i53 h ALA 35 CO 0.07 0.15 -0.30 0.00 0.00 0.00 0.00 179.25 179.18 3i53 n ALA 36 N -2.16 3.12 0.00 0.00 0.00 -0.73 -4.92 120.51 115.82 3i53 n ALA 36 Ca 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.13 3i53 n ALA 36 Cb 0.40 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.65 3i53 n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i53 n GLY 37 N 1.41 1.94 3.55 0.00 0.00 -0.90 -5.04 105.19 106.15 3i53 n GLY 37 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 3i53 n GLY 37 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i53 s HIS 38 N -2.05 2.26 -0.11 1.61 3.76 -0.04 -4.80 115.29 115.92 3i53 s HIS 38 Ca 0.00 0.11 0.10 0.00 -0.15 0.00 0.00 55.06 55.13 3i53 s HIS 38 Cb 0.00 -4.55 -0.15 0.00 1.11 0.00 0.00 32.58 28.99 3i53 s HIS 38 CO 0.00 -2.04 0.06 0.54 -0.85 0.00 0.00 174.74 172.44 3i53 n ARG 39 N 9.22 1.99 -2.41 1.40 1.74 -1.26 -2.53 116.66 124.81 3i53 n ARG 39 Ca 0.06 -0.01 -0.28 0.00 -0.77 0.00 0.00 57.85 56.84 3i53 n ARG 39 Cb 0.49 -1.30 0.00 0.00 -1.02 0.00 0.00 32.46 30.64 3i53 n ARG 39 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 3i53 s THR 40 N -2.32 4.75 0.23 0.55 -1.32 -1.26 -1.45 115.64 114.81 3i53 s THR 40 Ca -0.06 0.37 -0.06 0.00 -1.21 0.00 0.00 61.69 60.73 3i53 s THR 40 Cb 0.04 -3.83 0.19 0.00 -1.51 0.00 0.00 72.50 67.38 3i53 s THR 40 CO 0.48 -0.90 1.78 0.00 -2.21 0.00 0.00 174.62 173.77 3i53 h ALA 41 N 0.04 1.04 -0.58 11.08 0.00 -1.94 -0.03 119.26 128.86 3i53 h ALA 41 Ca -0.46 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 3i53 h ALA 41 Cb 1.21 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 3i53 h ALA 41 CO 0.62 -0.03 0.32 0.00 0.00 0.00 0.00 179.25 180.15 3i53 h ALA 42 N 1.45 0.75 -0.52 0.00 0.00 -1.93 0.54 119.26 119.55 3i53 h ALA 42 Ca 0.37 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 55.07 3i53 h ALA 42 Cb 0.40 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3i53 h ALA 42 CO -0.28 0.27 -0.11 0.93 0.00 0.00 0.00 179.25 180.06 3i53 h GLU 43 N 0.79 1.00 -0.28 0.00 5.08 -1.70 -1.85 114.58 117.61 3i53 h GLU 43 Ca 0.21 -0.37 -0.15 0.00 -1.00 0.00 0.00 59.36 58.04 3i53 h GLU 43 Cb 0.05 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 3i53 h GLU 43 CO -0.03 1.05 -0.42 0.82 -1.00 0.00 0.00 179.01 179.43 3i53 h ILE 44 N 0.86 1.29 -0.13 3.13 2.04 -0.88 -2.27 117.51 121.56 3i53 h ILE 44 Ca 0.13 -1.60 -0.02 0.00 1.00 0.00 0.00 64.86 64.38 3i53 h ILE 44 Cb 0.68 1.52 -0.01 0.00 -0.74 0.00 0.00 36.82 38.28 3i53 h ILE 44 CO 0.05 0.51 0.02 0.00 0.00 0.00 0.00 178.15 178.73 3i53 h ALA 45 N 0.96 0.17 -0.03 1.87 0.00 -0.77 0.14 119.26 121.60 3i53 h ALA 45 Ca 0.04 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 3i53 h ALA 45 Cb 0.96 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 3i53 h ALA 45 CO 0.09 -0.17 -0.28 0.66 0.00 0.00 0.00 179.25 179.55 3i53 h SER 46 N -0.01 0.06 0.14 0.00 4.64 -1.36 0.34 113.55 117.35 3i53 h SER 46 Ca 0.04 -0.02 -0.23 0.00 -0.47 0.00 0.00 61.79 61.12 3i53 h SER 46 Cb 0.30 -0.02 0.01 0.00 -0.31 0.00 0.00 62.40 62.38 3i53 h SER 46 CO 0.00 0.34 -0.89 0.00 -0.87 0.00 0.00 176.83 175.41 3i53 h ALA 47 N 1.66 0.34 -0.01 5.18 0.00 -1.08 -3.31 119.26 122.05 3i53 h ALA 47 Ca 0.01 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.25 3i53 h ALA 47 Cb 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3i53 h ALA 47 CO 0.04 0.75 -0.64 0.00 0.00 0.00 0.00 179.25 179.39 3i53 n ALA 48 N -2.58 3.94 -2.26 0.00 0.00 0.45 -4.99 120.51 115.08 3i53 n ALA 48 Ca -0.07 -0.54 -0.01 0.00 0.00 0.00 0.00 53.44 52.81 3i53 n ALA 48 Cb 0.80 -0.89 0.01 0.00 0.00 0.00 0.00 19.45 19.37 3i53 n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i53 n GLY 49 N 1.45 0.56 3.65 0.00 0.00 0.93 -5.02 105.19 106.77 3i53 n GLY 49 Ca 0.07 -0.51 -0.32 0.00 0.00 0.00 0.00 46.02 45.26 3i53 n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i53 n ALA 50 N -1.72 0.46 -2.60 4.61 0.00 0.25 -5.03 120.51 116.48 3i53 n ALA 50 Ca -0.01 -2.29 -0.43 0.00 0.00 0.00 0.00 53.44 50.71 3i53 n ALA 50 Cb 0.51 1.29 -0.09 0.00 0.00 0.00 0.00 19.45 21.16 3i53 n ALA 50 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3i53 s HIS 51 N -2.90 3.20 0.23 0.00 5.65 -1.26 -4.59 115.29 115.62 3i53 s HIS 51 Ca 0.03 -0.60 -0.17 0.00 0.25 0.00 0.00 55.06 54.58 3i53 s HIS 51 Cb 0.00 -2.94 0.25 0.00 -1.18 0.00 0.00 32.58 28.71 3i53 s HIS 51 CO 0.02 -0.73 1.56 0.00 -0.65 0.00 0.00 174.74 174.95 3i53 h ALA 52 N 8.73 0.21 -0.75 1.58 0.00 -1.92 0.13 119.26 127.25 3i53 h ALA 52 Ca -0.27 0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3i53 h ALA 52 Cb 1.11 0.92 -0.04 0.00 0.00 0.00 0.00 17.79 19.78 3i53 h ALA 52 CO 0.81 -0.59 0.49 -0.44 0.00 0.00 0.00 179.25 179.52 3i53 h ASP 53 N -0.03 0.84 -0.27 0.00 3.32 -1.94 -0.62 116.42 117.72 3i53 h ASP 53 Ca 0.34 -0.02 -0.19 0.00 0.02 0.00 0.00 57.03 57.18 3i53 h ASP 53 Cb 0.60 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3i53 h ASP 53 CO -0.93 0.60 -0.58 0.28 -1.72 0.00 0.00 179.24 176.90 3i53 h SER 54 N 0.99 0.98 -0.83 6.45 0.02 -1.66 -2.93 113.55 116.57 3i53 h SER 54 Ca 0.28 -0.55 -0.02 0.00 -0.84 0.00 0.00 61.79 60.66 3i53 h SER 54 Cb -0.09 -0.28 -0.04 0.00 0.14 0.00 0.00 62.40 62.13 3i53 h SER 54 CO -0.07 1.34 0.43 0.25 -1.14 0.00 0.00 176.83 177.65 3i53 h LEU 55 N 0.66 1.07 -0.99 5.07 5.85 -0.55 -2.31 115.31 124.09 3i53 h LEU 55 Ca 0.01 -0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.66 3i53 h LEU 55 Cb 1.19 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.89 3i53 h LEU 55 CO 0.13 0.88 0.64 -0.78 -0.34 0.00 0.00 178.44 178.97 3i53 h ASP 56 N 1.17 1.06 -0.72 1.25 3.58 -1.04 0.68 116.42 122.40 3i53 h ASP 56 Ca 0.29 -0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.67 3i53 h ASP 56 Cb 0.07 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 40.86 3i53 h ASP 56 CO -0.04 0.71 0.20 0.03 -2.88 0.00 0.00 179.24 177.25 3i53 h ARG 57 N 1.22 1.15 -0.23 0.28 3.08 -1.26 -0.12 114.38 118.50 3i53 h ARG 57 Ca 0.41 -0.26 -0.12 0.00 0.07 0.00 0.00 59.98 60.07 3i53 h ARG 57 Cb 0.06 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 3i53 h ARG 57 CO -0.14 0.99 -0.36 1.25 -1.07 0.00 0.00 179.97 180.64 3i53 h LEU 58 N 1.09 0.53 -0.39 3.04 6.46 -0.73 -2.46 115.31 122.85 3i53 h LEU 58 Ca 0.23 -0.22 -0.11 0.00 -0.12 0.00 0.00 57.88 57.66 3i53 h LEU 58 Cb 0.35 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.12 3i53 h LEU 58 CO -0.00 0.84 -0.20 -0.07 -0.62 0.00 0.00 178.44 178.39 3i53 h LEU 59 N 0.42 0.86 -0.61 2.25 3.38 -0.45 -1.48 115.31 119.68 3i53 h LEU 59 Ca 0.04 -0.41 0.05 0.00 0.09 0.00 0.00 57.88 57.65 3i53 h LEU 59 Cb 0.83 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 3i53 h LEU 59 CO 0.07 1.08 0.34 0.03 0.09 0.00 0.00 178.44 180.05 3i53 h ARG 60 N 0.64 0.63 -0.65 1.13 2.47 -0.90 0.19 114.38 117.88 3i53 h ARG 60 Ca 0.09 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.76 3i53 h ARG 60 Cb 0.76 -0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 28.91 3i53 h ARG 60 CO 0.06 0.42 0.38 1.25 0.56 0.00 0.00 179.97 182.63 3i53 h HIS 61 N 0.65 0.88 0.00 3.04 2.76 -1.24 -1.13 115.15 120.10 3i53 h HIS 61 Ca 0.26 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.39 3i53 h HIS 61 Cb 0.12 -0.28 -0.00 0.00 1.55 0.00 0.00 27.41 28.80 3i53 h HIS 61 CO -0.08 0.61 -0.13 -0.07 -1.30 0.00 0.00 177.93 176.97 3i53 h LEU 62 N 0.89 0.00 -0.17 0.26 3.38 -0.30 -1.85 115.31 117.52 3i53 h LEU 62 Ca 0.23 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.08 3i53 h LEU 62 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3i53 h LEU 62 CO -0.04 0.13 -0.37 0.58 0.09 0.00 0.00 178.44 178.83 3i53 h VAL 63 N 0.00 1.35 -0.09 1.22 2.07 -0.03 -1.19 116.25 119.58 3i53 h VAL 63 Ca -0.00 -1.62 -0.00 0.00 0.82 0.00 0.00 66.70 65.90 3i53 h VAL 63 Cb 0.69 1.95 -0.00 0.00 -1.52 0.00 0.00 31.29 32.41 3i53 h VAL 63 CO 0.02 0.49 0.05 0.00 0.02 0.00 0.00 177.57 178.15 3i53 h ALA 64 N 0.57 1.92 0.00 1.67 0.00 -0.72 0.20 119.26 122.91 3i53 h ALA 64 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i53 h ALA 64 Cb 0.97 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3i53 h ALA 64 CO 0.08 0.07 -0.03 0.28 0.00 0.00 0.00 179.25 179.65 3i53 n VAL 65 N -4.52 0.33 -0.38 0.00 0.31 -0.74 -4.94 118.33 108.39 3i53 n VAL 65 Ca -0.02 -0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 3i53 n VAL 65 Cb 0.09 -0.52 0.00 0.00 -0.91 0.00 0.00 33.84 32.50 3i53 n VAL 65 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i53 n GLY 66 N 1.39 0.79 0.08 2.92 0.00 0.72 -4.98 105.19 106.12 3i53 n GLY 66 Ca 0.06 -0.19 -0.10 0.00 0.00 0.00 0.00 46.02 45.79 3i53 n GLY 66 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i53 h LEU 67 N 0.00 0.06 -9.22 0.99 3.38 -1.43 -3.40 115.31 105.69 3i53 h LEU 67 Ca 0.00 -0.12 -0.49 0.00 0.09 0.00 0.00 57.88 57.37 3i53 h LEU 67 Cb 0.00 -0.02 -0.14 0.00 0.09 0.00 0.00 40.66 40.59 3i53 h LEU 67 CO 0.00 1.10 -0.63 -0.36 0.09 0.00 0.00 178.44 178.64 3i53 s PHE 68 N -2.61 1.99 0.21 1.13 0.08 -1.22 -2.32 117.98 115.23 3i53 s PHE 68 Ca -0.05 -0.86 0.10 0.00 0.12 0.00 0.00 56.93 56.24 3i53 s PHE 68 Cb 0.08 -1.26 -0.05 0.00 -0.57 0.00 0.00 43.02 41.23 3i53 s PHE 68 CO 0.82 0.12 -0.20 0.95 -0.10 0.00 0.00 175.22 176.81 3i53 s THR 69 N -3.17 2.17 -0.18 0.64 -4.23 0.82 -4.45 115.64 107.23 3i53 s THR 69 Ca 0.34 -2.11 -0.04 0.00 -1.18 0.00 0.00 61.69 58.70 3i53 s THR 69 Cb 0.07 -2.08 0.09 0.00 1.34 0.00 0.00 72.50 71.92 3i53 s THR 69 CO 0.14 -0.29 0.27 -0.60 -0.54 0.00 0.00 174.62 173.60 3i53 s ARG 70 N -3.01 0.20 0.91 3.99 3.52 -1.26 -1.06 118.95 122.24 3i53 s ARG 70 Ca 0.22 0.51 -0.13 0.00 -0.13 0.00 0.00 55.73 56.19 3i53 s ARG 70 Cb -0.06 -0.55 0.17 0.00 -1.56 0.00 0.00 34.95 32.96 3i53 s ARG 70 CO 0.10 -0.49 1.26 0.16 -0.81 0.00 0.00 175.30 175.52 3i53 s ASP 71 N 2.41 3.48 0.28 -2.12 3.84 -0.76 -4.91 116.67 118.89 3i53 s ASP 71 Ca 0.05 0.27 0.20 0.00 -0.00 0.00 0.00 52.55 53.07 3i53 s ASP 71 Cb -0.14 -0.43 1.03 0.00 -1.38 0.00 0.00 42.92 42.00 3i53 s ASP 71 CO -0.11 -2.49 1.60 0.61 -0.00 0.00 0.00 175.17 174.78 3i53 n GLY 72 N -3.58 -0.89 1.04 2.12 0.00 -1.26 -1.72 105.19 100.90 3i53 n GLY 72 Ca 0.14 0.16 0.12 0.00 0.00 0.00 0.00 46.02 46.44 3i53 n GLY 72 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3i53 n GLN 73 N -2.17 2.38 -0.78 1.61 6.02 -1.26 -4.94 117.38 118.23 3i53 n GLN 73 Ca -0.01 -2.07 0.00 0.00 -0.01 0.00 0.00 57.00 54.92 3i53 n GLN 73 Cb 0.06 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.83 3i53 n GLN 73 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3i53 n GLY 74 N 1.44 0.58 3.66 1.08 0.00 -0.70 -5.03 105.19 106.21 3i53 n GLY 74 Ca 0.18 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 3i53 n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i53 s VAL 75 N -2.00 5.01 0.23 1.61 1.01 -1.26 -4.27 120.40 120.74 3i53 s VAL 75 Ca 0.00 1.19 -0.02 0.00 0.00 0.00 0.00 61.98 63.15 3i53 s VAL 75 Cb 0.00 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 3i53 s VAL 75 CO 0.00 0.10 0.45 -0.31 0.00 0.00 0.00 175.10 175.34 3i53 s TYR 76 N 1.95 3.48 0.17 5.22 1.51 -0.53 -1.83 117.35 127.32 3i53 s TYR 76 Ca 0.29 0.45 -0.08 0.00 -1.01 0.00 0.00 57.07 56.72 3i53 s TYR 76 Cb -0.16 -1.94 -0.01 0.00 -0.11 0.00 0.00 41.96 39.73 3i53 s TYR 76 CO 0.10 0.31 0.26 0.20 -1.11 0.00 0.00 175.55 175.31 3i53 s GLY 77 N -3.14 0.57 -0.04 0.71 0.00 -0.22 -4.80 107.32 100.40 3i53 s GLY 77 Ca 0.40 -0.98 -0.14 0.00 0.00 0.00 0.00 44.72 44.01 3i53 s GLY 77 CO 0.29 -0.91 0.36 1.08 0.00 0.00 0.00 173.10 173.92 3i53 s LEU 78 N -2.99 4.43 0.54 0.66 1.43 -1.26 -0.13 118.68 121.36 3i53 s LEU 78 Ca 0.19 0.83 0.02 0.00 -1.03 0.00 0.00 54.13 54.14 3i53 s LEU 78 Cb 0.04 -2.49 0.03 0.00 0.03 0.00 0.00 46.19 43.80 3i53 s LEU 78 CO 0.01 0.29 0.75 0.42 0.23 0.00 0.00 176.35 178.06 3i53 s THR 79 N -0.80 2.68 0.52 5.49 -4.23 -0.98 -4.86 115.64 113.47 3i53 s THR 79 Ca 0.22 -0.72 0.31 0.00 -1.18 0.00 0.00 61.69 60.32 3i53 s THR 79 Cb -0.15 -2.97 0.34 0.00 1.34 0.00 0.00 72.50 71.06 3i53 s THR 79 CO 0.11 0.00 2.20 -0.33 -0.54 0.00 0.00 174.62 176.05 3i53 h GLU 80 N 0.13 0.00 -0.03 3.99 5.08 -1.90 -0.49 114.58 121.36 3i53 h GLU 80 Ca -0.41 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 57.71 3i53 h GLU 80 Cb 1.29 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.56 3i53 h GLU 80 CO 0.50 0.05 -0.92 0.35 -1.00 0.00 0.00 179.01 177.99 3i53 h PHE 81 N 0.00 0.99 0.00 4.33 -0.00 -1.86 -3.23 116.94 117.17 3i53 h PHE 81 Ca -0.00 -0.52 -0.02 0.00 -0.00 0.00 0.00 57.97 57.44 3i53 h PHE 81 Cb 0.14 -0.12 -0.00 0.00 -0.00 0.00 0.00 35.95 35.96 3i53 h PHE 81 CO 0.00 1.35 -0.08 0.78 -0.00 0.00 0.00 178.31 180.36 3i53 h GLY 82 N 0.35 0.00 1.97 2.40 0.00 -1.06 -2.87 103.07 103.86 3i53 h GLY 82 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.23 3i53 h GLY 82 CO 0.18 0.00 0.01 0.83 0.00 0.00 0.00 176.54 177.57 3i53 h GLU 83 N 0.00 0.00 0.00 4.80 4.39 -1.32 -0.33 114.58 122.12 3i53 h GLU 83 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3i53 h GLU 83 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 3i53 h GLU 83 CO 0.01 0.00 0.00 1.96 -1.16 0.00 0.00 179.01 179.82 3i53 h GLN 84 N 0.00 0.00 0.00 2.33 4.20 -1.68 -2.23 115.11 117.73 3i53 h GLN 84 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3i53 h GLN 84 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 3i53 h GLN 84 CO -0.00 0.00 0.00 -0.07 -0.67 0.00 0.00 178.83 178.09 3i53 h LEU 85 N 0.00 0.00 -9.78 1.46 3.38 -1.28 -3.35 115.31 105.74 3i53 h LEU 85 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 3i53 h LEU 85 Cb 0.30 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.11 3i53 h LEU 85 CO 0.00 0.00 0.80 -0.13 0.09 0.00 0.00 178.44 179.20 3i53 s ARG 86 N -3.24 4.21 0.59 1.13 0.52 -0.84 -4.60 118.95 116.73 3i53 s ARG 86 Ca 0.07 2.41 0.39 0.00 -0.52 0.00 0.00 55.73 58.08 3i53 s ARG 86 Cb 0.07 -3.07 1.96 0.00 0.52 0.00 0.00 34.95 34.42 3i53 s ARG 86 CO 0.64 -0.49 2.18 0.22 0.02 0.00 0.00 175.30 177.86 3i53 h ASP 87 N 4.86 0.00 0.16 0.23 3.58 -1.89 -1.59 116.42 121.77 3i53 h ASP 87 Ca -0.47 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.98 3i53 h ASP 87 Cb 1.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.27 3i53 h ASP 87 CO 0.78 0.00 -0.40 0.47 -2.88 0.00 0.00 179.24 177.20 3i53 n ASP 88 N -2.99 1.32 -4.71 2.28 8.00 -1.26 -4.91 116.55 114.28 3i53 n ASP 88 Ca -0.02 -1.05 -0.42 0.00 0.71 0.00 0.00 54.79 54.01 3i53 n ASP 88 Cb 0.15 0.32 -0.01 0.00 -0.02 0.00 0.00 41.12 41.56 3i53 n ASP 88 CO 0.00 0.00 0.00 1.57 -0.39 0.00 0.00 177.20 178.38 3i53 n HIS 89 N -0.57 2.38 0.29 1.24 -0.00 -0.60 -4.87 115.22 113.10 3i53 n HIS 89 Ca 0.10 0.52 0.15 0.00 0.46 0.00 0.00 57.72 58.95 3i53 n HIS 89 Cb 0.39 -2.44 0.90 0.00 -0.12 0.00 0.00 29.99 28.72 3i53 n HIS 89 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3i53 h ALA 90 N 2.78 1.48 0.00 1.57 0.00 -1.92 -1.87 119.26 121.30 3i53 h ALA 90 Ca -0.47 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3i53 h ALA 90 Cb 1.28 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3i53 h ALA 90 CO 0.64 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.91 3i53 n ALA 91 N -2.31 2.13 -3.75 0.00 0.00 -1.26 -4.94 120.51 110.38 3i53 n ALA 91 Ca -0.03 0.01 -0.23 0.00 0.00 0.00 0.00 53.44 53.19 3i53 n ALA 91 Cb 0.10 -1.45 0.03 0.00 0.00 0.00 0.00 19.45 18.13 3i53 n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i53 n GLY 92 N 0.99 -0.32 0.09 0.00 0.00 -0.70 -4.93 105.19 100.32 3i53 n GLY 92 Ca 0.05 0.14 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 3i53 n GLY 92 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i53 n LYS 93 N -4.36 0.65 -0.29 1.61 5.02 -1.26 -4.25 118.16 115.29 3i53 n LYS 93 Ca -0.24 0.26 0.13 0.00 -2.02 0.00 0.00 58.31 56.45 3i53 n LYS 93 Cb 0.65 -1.75 0.38 0.00 -0.02 0.00 0.00 35.03 34.29 3i53 n LYS 93 CO 0.00 0.00 0.00 -0.09 -0.52 0.00 0.00 177.40 176.79 3i53 h ARG 94 N 0.01 0.66 -0.70 1.97 2.43 -1.81 -2.04 114.38 114.90 3i53 h ARG 94 Ca -0.33 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 58.82 3i53 h ARG 94 Cb 2.04 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 31.40 3i53 h ARG 94 CO 0.07 0.44 0.44 -0.22 -1.51 0.00 0.00 179.97 179.19 3i53 h LYS 95 N 0.68 0.85 0.00 0.20 1.63 -1.93 -1.18 116.57 116.82 3i53 h LYS 95 Ca 0.49 -0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 60.23 3i53 h LYS 95 Cb 0.83 -0.19 -0.00 0.00 -0.60 0.00 0.00 32.23 32.27 3i53 h LYS 95 CO -0.24 0.56 -0.03 -1.49 -3.45 0.00 0.00 179.45 174.80 3i53 h TRP 96 N 0.88 0.00 0.00 1.91 4.06 -1.59 -3.17 115.95 118.04 3i53 h TRP 96 Ca 0.28 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 61.07 3i53 h TRP 96 Cb -0.01 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.12 3i53 h TRP 96 CO -0.04 0.03 -2.02 1.28 -3.56 0.00 0.00 178.44 174.13 3i53 n LEU 97 N -3.17 0.15 -4.68 -4.49 4.32 -0.85 -3.27 117.00 105.02 3i53 n LEU 97 Ca -0.01 0.06 -0.44 0.00 -0.02 0.00 0.00 56.01 55.61 3i53 n LEU 97 Cb 0.25 0.19 -0.04 0.00 -1.62 0.00 0.00 43.42 42.20 3i53 n LEU 97 CO 0.26 0.19 1.51 -0.67 -1.22 0.00 0.00 177.39 177.46 3i53 n ASP 98 N -2.53 3.88 0.02 -1.43 -0.08 -0.51 -4.65 116.55 111.24 3i53 n ASP 98 Ca -0.15 0.96 0.02 0.00 -1.51 0.00 0.00 54.79 54.11 3i53 n ASP 98 Cb 0.82 -1.49 0.12 0.00 2.34 0.00 0.00 41.12 42.91 3i53 n ASP 98 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 3i53 n MET 99 N 6.41 0.02 0.03 -0.67 2.81 -1.26 -0.66 117.12 123.80 3i53 n MET 99 Ca 0.20 0.47 0.12 0.00 -1.81 0.00 0.00 57.70 56.67 3i53 n MET 99 Cb 0.36 -1.55 0.10 0.00 -0.71 0.00 0.00 33.22 31.42 3i53 n MET 99 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3i53 n ASN 100 N -1.59 0.63 -4.86 7.83 3.02 -1.26 -3.38 115.26 115.65 3i53 n ASN 100 Ca 0.00 -0.16 -0.31 0.00 -0.03 0.00 0.00 54.58 54.08 3i53 n ASN 100 Cb 0.04 0.52 -0.01 0.00 -0.61 0.00 0.00 39.78 39.72 3i53 n ASN 100 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3i53 s SER 101 N -3.78 6.37 0.15 6.41 1.04 0.17 -4.73 113.70 119.32 3i53 s SER 101 Ca 0.06 1.47 -0.22 0.00 0.48 0.00 0.00 55.95 57.74 3i53 s SER 101 Cb 0.15 -2.48 0.03 0.00 0.10 0.00 0.00 66.02 63.81 3i53 s SER 101 CO 0.76 -0.77 1.63 0.00 0.98 0.00 0.00 173.24 175.84 3i53 h ALA 102 N 0.11 -0.11 -0.06 5.32 0.00 -1.85 0.29 119.26 122.96 3i53 h ALA 102 Ca -0.45 0.08 -0.19 0.00 0.00 0.00 0.00 54.91 54.34 3i53 h ALA 102 Cb 1.19 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 3i53 h ALA 102 CO 0.62 -0.65 -0.78 0.28 0.00 0.00 0.00 179.25 178.72 3i53 h VAL 103 N -0.23 1.38 -0.76 0.00 2.07 -1.89 0.06 116.25 116.88 3i53 h VAL 103 Ca 0.14 -2.21 -0.05 0.00 0.82 0.00 0.00 66.70 65.40 3i53 h VAL 103 Cb 0.44 2.18 -0.03 0.00 -1.52 0.00 0.00 31.29 32.35 3i53 h VAL 103 CO -0.37 0.66 0.27 1.23 0.02 0.00 0.00 177.57 179.38 3i53 h GLY 104 N 1.25 1.23 0.70 2.17 0.00 -1.45 0.14 103.07 107.10 3i53 h GLY 104 Ca -0.04 -0.69 -0.06 0.00 0.00 0.00 0.00 47.33 46.54 3i53 h GLY 104 CO 0.14 0.65 -0.17 -0.09 0.00 0.00 0.00 176.54 177.06 3i53 h ARG 105 N 1.11 0.31 -0.62 4.80 2.43 -0.34 -3.32 114.38 118.75 3i53 h ARG 105 Ca 0.25 -0.19 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 3i53 h ARG 105 Cb 0.25 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 3i53 h ARG 105 CO -0.02 0.76 0.21 0.78 -1.51 0.00 0.00 179.97 180.20 3i53 h GLY 106 N -0.11 1.00 2.00 2.80 0.00 -0.62 -2.85 103.07 105.28 3i53 h GLY 106 Ca 0.01 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 46.80 3i53 h GLY 106 CO 0.04 0.51 -0.01 -0.55 0.00 0.00 0.00 176.54 176.53 3i53 h ASP 107 N 0.90 0.00 0.76 0.19 3.45 -0.82 -0.62 116.42 120.29 3i53 h ASP 107 Ca 0.21 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.67 3i53 h ASP 107 Cb 0.23 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.00 3i53 h ASP 107 CO -0.01 0.01 0.00 -0.07 -1.57 0.00 0.00 179.24 177.60 3i53 h LEU 108 N 0.00 0.00 -2.57 1.55 3.38 -1.62 -2.10 115.31 113.95 3i53 h LEU 108 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i53 h LEU 108 Cb 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3i53 h LEU 108 CO 0.00 0.00 -0.01 1.23 0.09 0.00 0.00 178.44 179.76 3i53 h GLY 109 N 1.71 0.00 1.82 0.83 0.00 -1.26 -1.17 103.07 104.99 3i53 h GLY 109 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 3i53 h GLY 109 CO 0.00 0.00 0.08 0.74 0.00 0.00 0.00 176.54 177.36 3i53 h PHE 110 N 0.00 0.00 0.00 5.60 -1.00 -1.55 0.10 116.94 120.09 3i53 h PHE 110 Ca -0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 3i53 h PHE 110 Cb 0.13 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.69 3i53 h PHE 110 CO 0.00 0.00 -0.03 -0.24 -1.61 0.00 0.00 178.31 176.43 3i53 h VAL 111 N 0.00 0.38 -0.55 -0.55 3.04 -1.43 -1.44 116.25 115.69 3i53 h VAL 111 Ca 0.02 -0.15 -0.06 0.00 -1.01 0.00 0.00 66.70 65.49 3i53 h VAL 111 Cb 0.18 1.11 -0.04 0.00 -2.01 0.00 0.00 31.29 30.53 3i53 h VAL 111 CO -0.00 0.03 0.07 -0.62 -1.01 0.00 0.00 177.57 176.04 3i53 n GLU 112 N -3.57 4.12 -0.09 4.17 -0.58 0.36 -4.66 120.64 120.38 3i53 n GLU 112 Ca -0.03 -3.09 0.22 0.00 -0.42 0.00 0.00 57.16 53.85 3i53 n GLU 112 Cb 0.13 -2.16 0.67 0.00 -0.57 0.00 0.00 31.44 29.50 3i53 n GLU 112 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 3i53 h LEU 113 N 3.12 0.07 -1.79 -4.62 5.85 -1.35 -1.07 115.31 115.54 3i53 h LEU 113 Ca 0.08 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.80 3i53 h LEU 113 Cb 1.97 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.99 3i53 h LEU 113 CO 0.51 0.03 0.04 0.00 -0.34 0.00 0.00 178.44 178.68 3i53 h ALA 114 N 1.66 1.84 -0.37 1.25 0.00 -1.85 -0.93 119.26 120.86 3i53 h ALA 114 Ca 0.34 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 3i53 h ALA 114 Cb 1.23 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 3i53 h ALA 114 CO -0.03 0.13 -0.06 1.25 0.00 0.00 0.00 179.25 180.54 3i53 h HIS 115 N 0.17 0.78 -0.35 0.00 -0.00 -1.57 -1.47 115.15 112.72 3i53 h HIS 115 Ca 0.05 -0.16 -0.09 0.00 -0.00 0.00 0.00 60.37 60.17 3i53 h HIS 115 Cb 0.06 -0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 27.25 3i53 h HIS 115 CO 0.00 0.83 -0.14 0.77 -0.00 0.00 0.00 177.93 179.39 3i53 h SER 116 N 0.51 0.61 0.14 3.26 0.02 -1.41 0.69 113.55 117.36 3i53 h SER 116 Ca 0.10 -0.18 -0.14 0.00 -0.84 0.00 0.00 61.79 60.73 3i53 h SER 116 Cb 0.56 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 3i53 h SER 116 CO 0.03 0.77 -0.51 0.40 -1.14 0.00 0.00 176.83 176.39 3i53 h ILE 117 N 0.56 1.33 0.00 3.27 1.08 -1.05 0.53 117.51 123.24 3i53 h ILE 117 Ca 0.10 -1.75 -0.11 0.00 -0.39 0.00 0.00 64.86 62.71 3i53 h ILE 117 Cb 0.57 1.77 -0.02 0.00 -3.07 0.00 0.00 36.82 36.07 3i53 h ILE 117 CO 0.04 0.53 -0.65 0.03 -0.69 0.00 0.00 178.15 177.41 3i53 h ARG 118 N 0.33 0.00 0.00 2.37 3.08 -0.96 -3.40 114.38 115.80 3i53 h ARG 118 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3i53 h ARG 118 Cb 1.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.06 3i53 h ARG 118 CO 0.09 0.44 -0.57 0.25 -1.07 0.00 0.00 179.97 179.11 3i53 n THR 119 N -3.15 0.00 -0.97 2.04 -2.24 0.21 -5.00 114.28 105.17 3i53 n THR 119 Ca 0.00 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 3i53 n THR 119 Cb 0.74 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.60 3i53 n THR 119 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i53 n GLY 120 N 1.72 0.91 3.93 3.38 0.00 0.19 -5.01 105.19 110.30 3i53 n GLY 120 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3i53 n GLY 120 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i53 s GLN 121 N -0.07 3.52 0.51 1.61 -1.52 -1.26 -4.80 119.66 117.64 3i53 s GLN 121 Ca 0.00 -0.22 -0.23 0.00 -1.95 0.00 0.00 55.36 52.96 3i53 s GLN 121 Cb 0.00 -2.63 -0.06 0.00 -0.22 0.00 0.00 33.01 30.09 3i53 s GLN 121 CO 0.00 0.13 1.37 -2.14 -0.25 0.00 0.00 175.29 174.40 3i53 s PRO 122 N -4.19 3.38 0.03 2.91 0.02 -1.26 -3.89 135.00 132.01 3i53 s PRO 122 Ca 0.41 2.28 0.17 0.00 0.02 0.00 0.00 61.00 63.88 3i53 s PRO 122 Cb -0.10 -2.42 -0.16 0.00 0.02 0.00 0.00 34.50 31.85 3i53 s PRO 122 CO 0.36 -1.01 0.75 0.00 -0.33 0.00 0.00 177.00 176.77 3i53 n ALA 123 N -0.68 1.90 -0.30 -1.55 0.00 0.12 -4.29 120.51 115.71 3i53 n ALA 123 Ca 0.08 -0.60 0.11 0.00 0.00 0.00 0.00 53.44 53.03 3i53 n ALA 123 Cb 0.44 -0.90 0.28 0.00 0.00 0.00 0.00 19.45 19.27 3i53 n ALA 123 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3i53 h TYR 124 N 0.00 0.69 -0.07 0.00 5.03 -1.18 -0.99 116.97 120.45 3i53 h TYR 124 Ca -0.19 0.04 -0.08 0.00 2.58 0.00 0.00 58.73 61.08 3i53 h TYR 124 Cb 1.64 -0.17 -0.01 0.00 1.55 0.00 0.00 36.73 39.74 3i53 h TYR 124 CO 0.00 0.02 -0.30 -1.35 -1.32 0.00 0.00 178.16 175.21 3i53 h PRO 125 N 0.47 0.13 0.00 1.82 0.11 -1.75 -1.21 132.00 131.57 3i53 h PRO 125 Ca 0.53 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.54 3i53 h PRO 125 Cb 0.94 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.03 3i53 h PRO 125 CO -0.48 0.43 -0.27 0.28 -0.21 0.00 0.00 178.00 177.75 3i53 h VAL 126 N 0.12 1.15 0.07 3.15 2.07 -1.41 0.22 116.25 121.62 3i53 h VAL 126 Ca 0.02 -0.92 -0.31 0.00 0.82 0.00 0.00 66.70 66.30 3i53 h VAL 126 Cb 0.60 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 3i53 h VAL 126 CO 0.04 0.26 -1.70 -1.14 0.02 0.00 0.00 177.57 175.05 3i53 n ARG 127 N -4.16 0.68 0.00 1.57 0.63 -0.96 -4.59 116.66 109.83 3i53 n ARG 127 Ca -0.02 0.39 0.09 0.00 -0.92 0.00 0.00 57.85 57.39 3i53 n ARG 127 Cb 0.32 -1.72 0.04 0.00 0.45 0.00 0.00 32.46 31.54 3i53 n ARG 127 CO 0.00 0.00 0.00 0.66 -2.51 0.00 0.00 177.63 175.78 3i53 n TYR 128 N -3.88 0.00 -0.99 -0.14 4.02 -0.50 -5.00 117.16 110.67 3i53 n TYR 128 Ca -0.32 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.57 3i53 n TYR 128 Cb 0.90 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.22 3i53 n TYR 128 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i53 n GLY 129 N 1.19 0.43 3.82 2.72 0.00 0.78 -4.98 105.19 109.15 3i53 n GLY 129 Ca 0.09 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.06 3i53 n GLY 129 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3i53 s THR 130 N -1.92 0.00 0.62 2.61 -1.32 -1.25 -5.04 115.64 109.33 3i53 s THR 130 Ca 0.00 -0.87 -0.14 0.00 -1.21 0.00 0.00 61.69 59.47 3i53 s THR 130 Cb 0.00 -1.98 -0.03 0.00 -1.51 0.00 0.00 72.50 68.98 3i53 s THR 130 CO 0.00 0.00 1.05 -0.94 -2.21 0.00 0.00 174.62 172.52 3i53 s SER 131 N -2.92 5.79 0.11 8.08 1.04 -1.26 -3.77 113.70 120.77 3i53 s SER 131 Ca 0.11 1.70 -0.22 0.00 0.48 0.00 0.00 55.95 58.02 3i53 s SER 131 Cb -0.04 -2.51 -0.09 0.00 0.10 0.00 0.00 66.02 63.48 3i53 s SER 131 CO 0.05 -1.16 1.71 0.15 0.98 0.00 0.00 173.24 174.97 3i53 h PHE 132 N 0.08 -0.15 -0.90 5.02 3.57 -1.94 -1.18 116.94 121.46 3i53 h PHE 132 Ca -0.46 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.06 3i53 h PHE 132 Cb 1.21 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.98 3i53 h PHE 132 CO 0.61 -0.10 0.58 -1.49 -2.23 0.00 0.00 178.31 175.68 3i53 h TRP 133 N -0.08 1.15 -0.73 0.41 -0.00 -1.94 -0.97 115.95 113.79 3i53 h TRP 133 Ca 0.05 0.02 -0.02 0.00 -0.00 0.00 0.00 58.89 58.93 3i53 h TRP 133 Cb 0.14 -0.38 -0.03 0.00 -0.00 0.00 0.00 29.16 28.89 3i53 h TRP 133 CO -0.16 0.74 0.37 0.93 -0.00 0.00 0.00 178.44 180.32 3i53 h GLU 134 N 1.22 1.03 -0.34 0.49 4.39 -1.87 0.22 114.58 119.72 3i53 h GLU 134 Ca 0.33 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 3i53 h GLU 134 Cb -0.11 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.33 3i53 h GLU 134 CO -0.07 0.80 0.17 -0.44 -1.16 0.00 0.00 179.01 178.31 3i53 h ASP 135 N 1.01 0.44 0.18 1.42 3.32 -0.68 -1.73 116.42 120.38 3i53 h ASP 135 Ca 0.25 -0.12 -0.09 0.00 0.02 0.00 0.00 57.03 57.09 3i53 h ASP 135 Cb 0.09 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3i53 h ASP 135 CO -0.04 0.43 -0.33 -0.07 -1.72 0.00 0.00 179.24 177.52 3i53 h LEU 136 N 0.42 0.24 -1.18 1.55 3.38 -0.82 -1.89 115.31 117.01 3i53 h LEU 136 Ca 0.12 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.92 3i53 h LEU 136 Cb 0.10 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3i53 h LEU 136 CO -0.02 0.56 -0.29 1.23 0.09 0.00 0.00 178.44 180.01 3i53 h GLY 137 N 1.09 0.21 1.37 0.83 0.00 -0.17 -3.08 103.07 103.31 3i53 h GLY 137 Ca 0.03 -0.16 -0.08 0.00 0.00 0.00 0.00 47.33 47.11 3i53 h GLY 137 CO 0.05 0.15 -0.88 1.48 0.00 0.00 0.00 176.54 177.34 3i53 h SER 138 N 0.17 0.00 -3.71 0.19 4.64 -0.94 -3.45 113.55 110.46 3i53 h SER 138 Ca 0.02 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.72 3i53 h SER 138 Cb 0.61 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 62.33 3i53 h SER 138 CO 0.04 0.31 -0.79 -0.62 -0.87 0.00 0.00 176.83 174.90 3i53 s ASP 139 N -5.88 4.03 0.57 4.97 -1.08 -0.75 -4.98 116.67 113.56 3i53 s ASP 139 Ca 0.01 -1.24 0.30 0.00 -0.52 0.00 0.00 52.55 51.10 3i53 s ASP 139 Cb 0.08 -1.30 1.74 0.00 -1.46 0.00 0.00 42.92 41.98 3i53 s ASP 139 CO 0.77 -0.22 2.19 1.55 0.52 0.00 0.00 175.17 179.98 3i53 h PRO 140 N 7.90 0.00 0.04 4.34 0.13 -1.87 -0.40 132.00 142.13 3i53 h PRO 140 Ca -0.18 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.94 3i53 h PRO 140 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 3i53 h PRO 140 CO 0.43 0.05 -0.02 0.28 -0.23 0.00 0.00 178.00 178.51 3i53 h VAL 141 N 0.00 1.17 -0.49 1.56 2.07 -1.94 0.12 116.25 118.74 3i53 h VAL 141 Ca -0.00 -0.64 -0.07 0.00 0.82 0.00 0.00 66.70 66.81 3i53 h VAL 141 Cb 0.14 1.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 3i53 h VAL 141 CO 0.01 0.16 0.03 -0.07 0.02 0.00 0.00 177.57 177.72 3i53 h LEU 142 N -0.33 0.82 -0.24 2.57 3.38 -1.68 -0.15 115.31 119.69 3i53 h LEU 142 Ca -0.00 -0.29 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 3i53 h LEU 142 Cb 0.30 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 3i53 h LEU 142 CO 0.01 0.91 0.08 -1.28 0.09 0.00 0.00 178.44 178.26 3i53 h SER 143 N 0.71 0.34 0.04 -0.43 0.87 -1.05 0.37 113.55 114.39 3i53 h SER 143 Ca 0.14 -0.19 -0.07 0.00 -1.23 0.00 0.00 61.79 60.44 3i53 h SER 143 Cb 0.47 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.33 3i53 h SER 143 CO 0.02 0.43 -0.21 0.00 -0.53 0.00 0.00 176.83 176.54 3i53 h ALA 144 N 0.92 1.31 0.22 6.23 0.00 -0.73 -0.71 119.26 126.51 3i53 h ALA 144 Ca 0.08 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 3i53 h ALA 144 Cb 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3i53 h ALA 144 CO -0.00 0.46 -0.11 1.03 0.00 0.00 0.00 179.25 180.63 3i53 h SER 145 N 0.28 -0.26 -0.83 0.00 0.87 -0.66 -1.67 113.55 111.29 3i53 h SER 145 Ca 0.05 -0.19 0.06 0.00 -1.23 0.00 0.00 61.79 60.48 3i53 h SER 145 Cb 0.54 0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 62.50 3i53 h SER 145 CO 0.04 0.06 0.50 0.15 -0.53 0.00 0.00 176.83 177.05 3i53 h PHE 146 N -0.59 0.93 -0.35 2.24 3.57 -0.66 -0.68 116.94 121.40 3i53 h PHE 146 Ca -0.03 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3i53 h PHE 146 Cb 0.43 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 3i53 h PHE 146 CO 0.02 0.46 0.22 0.22 -2.23 0.00 0.00 178.31 177.00 3i53 h ASP 147 N 0.91 0.41 -0.69 0.41 3.58 -1.05 0.45 116.42 120.43 3i53 h ASP 147 Ca 0.36 -0.03 0.03 0.00 0.42 0.00 0.00 57.03 57.81 3i53 h ASP 147 Cb 0.19 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.10 3i53 h ASP 147 CO -0.18 0.31 0.44 0.74 -2.88 0.00 0.00 179.24 177.67 3i53 h THR 148 N 0.46 1.11 -0.90 2.25 2.02 -0.60 0.07 112.91 117.32 3i53 h THR 148 Ca 0.13 -0.29 -0.01 0.00 0.77 0.00 0.00 66.41 67.00 3i53 h THR 148 Cb -0.03 0.17 -0.04 0.00 -1.74 0.00 0.00 68.15 66.51 3i53 h THR 148 CO -0.03 0.16 0.51 -0.07 0.37 0.00 0.00 175.52 176.46 3i53 h LEU 149 N 0.86 1.11 -0.45 2.58 3.38 -0.48 -2.39 115.31 119.92 3i53 h LEU 149 Ca 0.27 -0.09 -0.07 0.00 0.09 0.00 0.00 57.88 58.08 3i53 h LEU 149 Cb -0.00 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 3i53 h LEU 149 CO -0.10 0.88 -0.00 0.24 0.09 0.00 0.00 178.44 179.55 3i53 h MET 150 N 1.25 0.79 -0.82 1.13 2.86 -0.15 -2.39 114.93 117.61 3i53 h MET 150 Ca 0.32 -0.25 0.16 0.00 -2.06 0.00 0.00 59.70 57.86 3i53 h MET 150 Cb 0.00 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.53 3i53 h MET 150 CO -0.05 0.85 0.54 1.03 1.06 0.00 0.00 176.91 180.34 3i53 h SER 151 N 0.63 0.46 -0.06 1.22 0.87 -0.55 0.43 113.55 116.56 3i53 h SER 151 Ca 0.13 0.03 -0.13 0.00 -1.23 0.00 0.00 61.79 60.59 3i53 h SER 151 Cb 0.50 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.39 3i53 h SER 151 CO 0.02 0.23 -0.39 -0.74 -0.53 0.00 0.00 176.83 175.42 3i53 h HIS 152 N 0.48 0.68 -0.41 2.24 6.17 -0.96 -2.04 115.15 121.30 3i53 h HIS 152 Ca 0.41 -0.19 -0.14 0.00 0.71 0.00 0.00 60.37 61.16 3i53 h HIS 152 Cb 0.88 -0.15 -0.01 0.00 2.52 0.00 0.00 27.41 30.65 3i53 h HIS 152 CO -0.00 0.88 -0.29 1.12 0.71 0.00 0.00 177.93 180.34 3i53 h HIS 153 N 0.47 1.03 -0.72 5.26 -0.00 0.14 -2.73 115.15 118.60 3i53 h HIS 153 Ca 0.04 -0.27 -0.02 0.00 -0.00 0.00 0.00 60.37 60.12 3i53 h HIS 153 Cb 0.89 -0.23 -0.03 0.00 -0.00 0.00 0.00 27.41 28.03 3i53 h HIS 153 CO 0.04 1.06 0.36 -0.07 -0.00 0.00 0.00 177.93 179.32 3i53 h LEU 154 N 0.75 0.93 0.07 6.12 3.38 -0.35 -2.56 115.31 123.64 3i53 h LEU 154 Ca 0.08 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3i53 h LEU 154 Cb 0.85 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3i53 h LEU 154 CO 0.08 0.79 -0.03 -0.33 0.09 0.00 0.00 178.44 179.03 3i53 h GLU 155 N 1.00 -0.09 0.04 1.13 5.08 -1.26 0.18 114.58 120.66 3i53 h GLU 155 Ca 0.25 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3i53 h GLU 155 Cb 0.09 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 3i53 h GLU 155 CO -0.03 -0.04 -0.03 -0.07 -1.00 0.00 0.00 179.01 177.84 3i53 h LEU 156 N -0.11 -0.07 -2.03 1.33 3.38 -1.38 -3.28 115.31 113.15 3i53 h LEU 156 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i53 h LEU 156 Cb 0.09 0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.86 3i53 h LEU 156 CO 0.02 -0.05 0.00 0.47 0.09 0.00 0.00 178.44 178.97 3i53 n ASP 157 N -5.13 2.63 -0.02 -0.43 8.00 -0.97 -4.63 116.55 115.99 3i53 n ASP 157 Ca -0.07 -1.76 0.00 0.00 0.71 0.00 0.00 54.79 53.67 3i53 n ASP 157 Cb 0.06 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 3i53 n ASP 157 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3i53 n TYR 158 N 0.87 0.00 -1.66 1.24 4.02 0.62 -4.67 117.16 117.59 3i53 n TYR 158 Ca 0.11 0.00 -0.47 0.00 -0.01 0.00 0.00 57.90 57.54 3i53 n TYR 158 Cb 0.42 0.00 -0.04 0.00 -0.02 0.00 0.00 39.34 39.70 3i53 n TYR 158 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 3i53 n THR 159 N -0.39 0.14 -1.12 -0.72 -1.04 -1.23 -0.46 114.28 109.44 3i53 n THR 159 Ca 0.00 -0.03 -0.04 0.00 -2.04 0.00 0.00 64.05 61.94 3i53 n THR 159 Cb 0.02 -1.43 -0.02 0.00 -1.82 0.00 0.00 70.33 67.08 3i53 n THR 159 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i53 n GLY 160 N 3.12 0.68 0.28 3.41 0.00 -1.26 -4.89 105.19 106.53 3i53 n GLY 160 Ca 0.16 -0.37 0.09 0.00 0.00 0.00 0.00 46.02 45.90 3i53 n GLY 160 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3i53 h ILE 161 N 0.00 0.98 0.00 -0.61 6.09 -1.14 -1.86 117.51 120.97 3i53 h ILE 161 Ca -0.09 -0.02 -0.00 0.00 -1.37 0.00 0.00 64.86 63.38 3i53 h ILE 161 Cb 0.45 0.92 -0.00 0.00 0.47 0.00 0.00 36.82 38.66 3i53 h ILE 161 CO 0.13 0.01 -0.00 0.00 -3.07 0.00 0.00 178.15 175.22 3i53 h ALA 162 N 1.94 1.03 -0.01 0.18 0.00 -1.90 -1.88 119.26 118.63 3i53 h ALA 162 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3i53 h ALA 162 Cb 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3i53 h ALA 162 CO -0.00 0.00 -0.67 0.00 0.00 0.00 0.00 179.25 178.58 3i53 n ALA 163 N -2.10 4.01 1.02 0.00 0.00 -0.70 -4.34 120.51 118.41 3i53 n ALA 163 Ca -0.02 -0.58 0.11 0.00 0.00 0.00 0.00 53.44 52.95 3i53 n ALA 163 Cb 0.12 -0.84 0.33 0.00 0.00 0.00 0.00 19.45 19.06 3i53 n ALA 163 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3i53 n LYS 164 N -0.81 1.96 -3.58 0.00 5.02 -0.70 -4.90 118.16 115.15 3i53 n LYS 164 Ca 0.07 -1.44 -0.16 0.00 -2.02 0.00 0.00 58.31 54.77 3i53 n LYS 164 Cb 0.39 -1.44 -0.06 0.00 -0.02 0.00 0.00 35.03 33.90 3i53 n LYS 164 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3i53 s TYR 165 N -1.76 -0.49 -1.44 2.13 6.14 -1.25 -5.02 117.35 115.66 3i53 s TYR 165 Ca 0.34 0.72 -0.14 0.00 0.64 0.00 0.00 57.07 58.63 3i53 s TYR 165 Cb 0.19 0.33 0.05 0.00 0.42 0.00 0.00 41.96 42.95 3i53 s TYR 165 CO 0.29 -0.58 2.17 -3.47 0.64 0.00 0.00 175.55 174.59 3i53 n ASP 166 N 0.78 4.01 -0.05 4.32 2.03 -1.26 -4.72 116.55 121.66 3i53 n ASP 166 Ca -0.19 -2.86 0.01 0.00 0.52 0.00 0.00 54.79 52.27 3i53 n ASP 166 Cb 0.58 -1.66 0.31 0.00 -0.72 0.00 0.00 41.12 39.63 3i53 n ASP 166 CO 0.00 0.00 0.00 -0.50 -1.92 0.00 0.00 177.20 174.78 3i53 h TRP 167 N 6.14 0.65 -0.75 -0.67 4.06 -1.95 -2.99 115.95 120.43 3i53 h TRP 167 Ca 0.55 -0.02 0.09 0.00 2.06 0.00 0.00 58.89 61.57 3i53 h TRP 167 Cb 0.66 -0.20 -0.07 0.00 -1.00 0.00 0.00 29.16 28.55 3i53 h TRP 167 CO 1.45 0.50 0.39 0.00 -3.56 0.00 0.00 178.44 177.22 3i53 h ALA 168 N 1.56 1.04 0.00 1.49 0.00 -1.93 -1.17 119.26 120.26 3i53 h ALA 168 Ca 0.16 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3i53 h ALA 168 Cb 0.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3i53 h ALA 168 CO -0.02 -0.00 0.12 0.00 0.00 0.00 0.00 179.25 179.35 3i53 h ALA 169 N 1.44 1.12 -0.05 0.00 0.00 -1.93 -2.53 119.26 117.29 3i53 h ALA 169 Ca 0.36 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.15 3i53 h ALA 169 Cb 0.37 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3i53 h ALA 169 CO -0.26 -0.12 -0.55 -0.07 0.00 0.00 0.00 179.25 178.26 3i53 h LEU 170 N 0.00 0.17 0.00 0.00 3.38 -1.36 -3.47 115.31 114.04 3i53 h LEU 170 Ca 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3i53 h LEU 170 Cb 0.24 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3i53 h LEU 170 CO 0.00 0.69 0.00 0.61 0.09 0.00 0.00 178.44 179.83 3i53 n GLY 171 N 0.11 1.19 2.84 0.83 0.00 -0.96 -3.73 105.19 105.47 3i53 n GLY 171 Ca -0.02 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.85 3i53 n GLY 171 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3i53 s HIS 172 N 0.00 -0.06 -0.07 1.61 5.65 -1.25 -1.79 115.29 119.37 3i53 s HIS 172 Ca 0.00 0.29 0.04 0.00 0.25 0.00 0.00 55.06 55.64 3i53 s HIS 172 Cb 0.00 -0.18 0.00 0.00 -1.18 0.00 0.00 32.58 31.23 3i53 s HIS 172 CO 0.00 -0.13 -0.20 0.54 -0.65 0.00 0.00 174.74 174.30 3i53 s VAL 173 N 1.15 1.71 -0.27 0.89 0.11 -0.33 -1.53 120.40 122.13 3i53 s VAL 173 Ca -0.09 -0.83 -0.08 0.00 -2.93 0.00 0.00 61.98 58.05 3i53 s VAL 173 Cb -0.12 -1.48 -0.03 0.00 -1.53 0.00 0.00 36.38 33.22 3i53 s VAL 173 CO -0.04 0.48 0.10 -0.69 -3.33 0.00 0.00 175.10 171.62 3i53 s VAL 174 N 0.30 4.51 -0.62 2.04 1.01 0.66 -1.46 120.40 126.84 3i53 s VAL 174 Ca -0.13 -0.18 -0.20 0.00 0.00 0.00 0.00 61.98 61.46 3i53 s VAL 174 Cb -0.16 -3.16 0.09 0.00 0.00 0.00 0.00 36.38 33.15 3i53 s VAL 174 CO 0.06 0.26 0.80 -0.62 0.00 0.00 0.00 175.10 175.61 3i53 s ASP 175 N 1.63 6.18 -0.45 3.32 -1.08 -0.29 0.03 116.67 126.02 3i53 s ASP 175 Ca 0.06 -1.25 -0.29 0.00 -0.52 0.00 0.00 52.55 50.56 3i53 s ASP 175 Cb -0.16 -2.35 0.02 0.00 -1.46 0.00 0.00 42.92 38.98 3i53 s ASP 175 CO 0.05 -1.24 1.22 -0.69 0.52 0.00 0.00 175.17 175.04 3i53 s VAL 176 N 3.22 4.13 -0.04 1.11 1.01 0.38 -1.96 120.40 128.25 3i53 s VAL 176 Ca 0.16 1.16 -0.00 0.00 0.00 0.00 0.00 61.98 63.29 3i53 s VAL 176 Cb -0.21 -4.47 0.00 0.00 0.00 0.00 0.00 36.38 31.70 3i53 s VAL 176 CO 0.08 -0.91 0.02 0.61 0.00 0.00 0.00 175.10 174.91 3i53 n GLY 177 N 4.86 0.77 0.00 4.51 0.00 0.71 -4.41 105.19 111.63 3i53 n GLY 177 Ca 0.13 -0.71 0.04 0.00 0.00 0.00 0.00 46.02 45.48 3i53 n GLY 177 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i53 n GLY 178 N -0.66 -0.63 7.00 -0.02 0.00 -0.91 -4.80 105.19 105.17 3i53 n GLY 178 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.97 3i53 n GLY 178 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i53 n GLY 179 N 0.17 2.59 0.16 -0.02 0.00 -1.26 -2.15 105.19 104.68 3i53 n GLY 179 Ca 0.05 -0.41 0.01 0.00 0.00 0.00 0.00 46.02 45.67 3i53 n GLY 179 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i53 n SER 180 N 0.18 0.44 -0.10 1.61 3.41 -1.26 -4.01 113.62 113.89 3i53 n SER 180 Ca 0.00 -2.01 -0.01 0.00 -0.26 0.00 0.00 58.87 56.59 3i53 n SER 180 Cb 0.00 -0.08 -0.00 0.00 -0.26 0.00 0.00 64.21 63.86 3i53 n SER 180 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i53 n GLY 181 N 0.56 0.46 0.19 5.00 0.00 -0.91 -3.36 105.19 107.12 3i53 n GLY 181 Ca 0.02 -1.01 -0.08 0.00 0.00 0.00 0.00 46.02 44.95 3i53 n GLY 181 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3i53 h GLY 182 N 0.00 0.62 0.85 -0.02 0.00 -1.90 -0.60 103.07 102.03 3i53 h GLY 182 Ca -0.03 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 47.00 3i53 h GLY 182 CO 0.04 0.27 0.04 -2.00 0.00 0.00 0.00 176.54 174.89 3i53 h LEU 183 N 0.54 0.31 -1.28 3.11 5.85 -1.93 -1.96 115.31 119.95 3i53 h LEU 183 Ca 0.15 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 3i53 h LEU 183 Cb 0.06 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 3i53 h LEU 183 CO -0.02 0.47 0.23 0.25 -0.34 0.00 0.00 178.44 179.02 3i53 h LEU 184 N 0.13 0.65 -0.28 2.25 5.85 -1.89 -1.22 115.31 120.81 3i53 h LEU 184 Ca 0.06 -0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.72 3i53 h LEU 184 Cb 0.28 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 3i53 h LEU 184 CO 0.00 0.57 0.17 -1.28 -0.34 0.00 0.00 178.44 177.57 3i53 h SER 185 N 0.72 0.29 -0.60 1.25 0.87 -0.82 -1.04 113.55 114.23 3i53 h SER 185 Ca 0.18 -0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.69 3i53 h SER 185 Cb 0.10 -0.07 -0.03 0.00 -0.44 0.00 0.00 62.40 61.97 3i53 h SER 185 CO -0.02 0.21 0.20 0.00 -0.53 0.00 0.00 176.83 176.69 3i53 h ALA 186 N 1.11 1.16 -0.15 6.23 0.00 -0.58 -2.24 119.26 124.79 3i53 h ALA 186 Ca 0.10 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 3i53 h ALA 186 Cb -0.03 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 3i53 h ALA 186 CO -0.03 0.59 -0.11 -0.07 0.00 0.00 0.00 179.25 179.62 3i53 h LEU 187 N 0.93 0.35 -1.30 0.00 3.38 -0.86 -3.05 115.31 114.77 3i53 h LEU 187 Ca 0.21 -0.46 -0.06 0.00 0.09 0.00 0.00 57.88 57.66 3i53 h LEU 187 Cb 0.27 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3i53 h LEU 187 CO -0.01 0.74 -0.17 -0.07 0.09 0.00 0.00 178.44 179.02 3i53 h LEU 188 N -0.02 0.25 -0.71 1.67 4.07 -1.15 -0.50 115.31 118.91 3i53 h LEU 188 Ca 0.03 -0.06 -0.11 0.00 0.08 0.00 0.00 57.88 57.81 3i53 h LEU 188 Cb 0.62 -0.07 -0.01 0.00 1.08 0.00 0.00 40.66 42.28 3i53 h LEU 188 CO 0.03 0.45 -0.22 0.74 -1.08 0.00 0.00 178.44 178.35 3i53 h THR 189 N 0.25 1.27 0.25 0.22 2.02 -1.42 -3.20 112.91 112.30 3i53 h THR 189 Ca 0.05 -1.33 -0.34 0.00 0.77 0.00 0.00 66.41 65.56 3i53 h THR 189 Cb 0.45 1.22 0.04 0.00 -1.74 0.00 0.00 68.15 68.12 3i53 h THR 189 CO 0.03 0.44 -1.53 0.00 0.37 0.00 0.00 175.52 174.83 3i53 h ALA 190 N 1.09 -0.12 -2.89 6.16 0.00 -1.40 -3.40 119.26 118.70 3i53 h ALA 190 Ca 0.09 -0.90 -0.72 0.00 0.00 0.00 0.00 54.91 53.38 3i53 h ALA 190 Cb 0.73 0.22 -0.32 0.00 0.00 0.00 0.00 17.79 18.42 3i53 h ALA 190 CO 0.06 0.74 -0.36 -1.01 0.00 0.00 0.00 179.25 178.68 3i53 s HIS 191 N -2.60 3.49 -0.08 0.00 3.76 -0.22 -4.95 115.29 114.70 3i53 s HIS 191 Ca -0.10 -2.22 0.30 0.00 -0.15 0.00 0.00 55.06 52.90 3i53 s HIS 191 Cb 0.04 -3.41 1.30 0.00 1.11 0.00 0.00 32.58 31.62 3i53 s HIS 191 CO 0.94 -0.95 1.90 0.93 -0.85 0.00 0.00 174.74 176.71 3i53 h GLU 192 N 7.91 0.00 -0.68 1.40 5.08 -1.79 -2.73 114.58 123.77 3i53 h GLU 192 Ca -0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3i53 h GLU 192 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 3i53 h GLU 192 CO 0.78 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 178.54 3i53 n ASP 193 N -2.76 4.00 -4.88 1.42 9.92 -1.26 -4.94 116.55 118.05 3i53 n ASP 193 Ca 0.01 -2.08 -0.35 0.00 -0.53 0.00 0.00 54.79 51.83 3i53 n ASP 193 Cb 0.25 -0.48 -0.05 0.00 -0.64 0.00 0.00 41.12 40.20 3i53 n ASP 193 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3i53 s LEU 194 N -1.16 4.39 0.25 0.64 2.96 -1.03 -4.88 118.68 119.85 3i53 s LEU 194 Ca 0.47 0.59 0.11 0.00 -0.22 0.00 0.00 54.13 55.08 3i53 s LEU 194 Cb 0.26 -2.55 -0.05 0.00 0.50 0.00 0.00 46.19 44.35 3i53 s LEU 194 CO 0.30 0.29 -0.18 -0.94 -1.32 0.00 0.00 176.35 174.50 3i53 s SER 195 N -1.50 3.24 0.16 3.68 1.04 -0.74 -4.89 113.70 114.70 3i53 s SER 195 Ca 0.25 -1.02 -0.24 0.00 0.48 0.00 0.00 55.95 55.42 3i53 s SER 195 Cb -0.13 -0.24 0.06 0.00 0.10 0.00 0.00 66.02 65.80 3i53 s SER 195 CO 0.13 -0.02 0.87 -0.83 0.98 0.00 0.00 173.24 174.37 3i53 s GLY 196 N -3.40 -0.26 0.01 7.32 0.00 -0.92 -1.19 107.32 108.88 3i53 s GLY 196 Ca 0.27 0.17 0.02 0.00 0.00 0.00 0.00 44.72 45.19 3i53 s GLY 196 CO 0.12 0.04 -0.07 -0.51 0.00 0.00 0.00 173.10 172.68 3i53 s THR 197 N -3.44 0.55 -0.20 0.90 -4.23 -0.54 -2.17 115.64 106.51 3i53 s THR 197 Ca 0.10 -0.48 -0.12 0.00 -1.18 0.00 0.00 61.69 60.01 3i53 s THR 197 Cb -0.02 -0.50 -0.05 0.00 1.34 0.00 0.00 72.50 73.27 3i53 s THR 197 CO 0.01 0.03 0.22 -0.69 -0.54 0.00 0.00 174.62 173.64 3i53 s VAL 198 N -0.44 5.34 -0.21 2.29 1.01 -0.63 -1.14 120.40 126.62 3i53 s VAL 198 Ca -0.00 0.34 -0.00 0.00 0.00 0.00 0.00 61.98 62.32 3i53 s VAL 198 Cb -0.04 -3.55 0.02 0.00 0.00 0.00 0.00 36.38 32.80 3i53 s VAL 198 CO -0.00 0.37 -0.13 -0.22 0.00 0.00 0.00 175.10 175.12 3i53 s LEU 199 N 0.74 2.68 0.00 3.92 1.98 -0.83 -0.61 118.68 126.56 3i53 s LEU 199 Ca 0.11 -0.76 -0.00 0.00 -2.89 0.00 0.00 54.13 50.59 3i53 s LEU 199 Cb -0.13 -1.57 0.00 0.00 0.66 0.00 0.00 46.19 45.15 3i53 s LEU 199 CO 0.03 -0.06 0.00 -0.67 -1.89 0.00 0.00 176.35 173.76 3i53 n ASP 200 N 4.64 -0.01 -4.89 3.68 -0.08 -1.11 -0.21 116.55 118.57 3i53 n ASP 200 Ca -0.19 -1.01 -0.29 0.00 -1.51 0.00 0.00 54.79 51.79 3i53 n ASP 200 Cb 0.48 0.02 0.05 0.00 2.34 0.00 0.00 41.12 44.02 3i53 n ASP 200 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3i53 s LEU 201 N 0.00 2.86 0.25 -2.67 1.43 -1.26 -1.59 118.68 117.69 3i53 s LEU 201 Ca 0.00 0.99 -0.12 0.00 -1.03 0.00 0.00 54.13 53.97 3i53 s LEU 201 Cb -0.00 -3.73 0.34 0.00 0.03 0.00 0.00 46.19 42.84 3i53 s LEU 201 CO 0.00 -1.43 1.58 1.56 0.23 0.00 0.00 176.35 178.29 3i53 h GLN 202 N -0.68 -0.02 0.00 1.70 4.20 -1.95 -1.14 115.11 117.23 3i53 h GLN 202 Ca -0.45 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.26 3i53 h GLN 202 Cb 1.27 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.05 3i53 h GLN 202 CO 0.64 -0.01 -0.02 0.78 -0.67 0.00 0.00 178.83 179.55 3i53 h GLY 203 N -0.02 -1.21 1.00 3.46 0.00 -1.93 0.20 103.07 104.58 3i53 h GLY 203 Ca 0.40 0.52 0.00 0.00 0.00 0.00 0.00 47.33 48.25 3i53 h GLY 203 CO -0.91 -0.46 0.38 -2.55 0.00 0.00 0.00 176.54 173.01 3i53 h PRO 204 N -0.02 0.79 -0.98 4.80 0.11 -1.82 -2.51 132.00 132.37 3i53 h PRO 204 Ca -0.00 -0.06 0.11 0.00 0.11 0.00 0.00 66.00 66.17 3i53 h PRO 204 Cb 0.02 -0.17 -0.08 0.00 0.11 0.00 0.00 31.00 30.88 3i53 h PRO 204 CO -0.01 0.54 0.61 0.00 -0.21 0.00 0.00 178.00 178.93 3i53 h ALA 205 N 1.20 1.45 -0.44 -0.75 0.00 -1.17 0.24 119.26 119.79 3i53 h ALA 205 Ca 0.22 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.01 3i53 h ALA 205 Cb -0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3i53 h ALA 205 CO -0.04 0.22 -0.26 0.77 0.00 0.00 0.00 179.25 179.93 3i53 h SER 206 N 0.98 0.97 -0.56 0.00 0.02 -0.63 -1.04 113.55 113.29 3i53 h SER 206 Ca 0.48 -0.39 -0.09 0.00 -0.84 0.00 0.00 61.79 60.96 3i53 h SER 206 Cb 0.45 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.70 3i53 h SER 206 CO -0.26 1.17 0.03 0.00 -1.14 0.00 0.00 176.83 176.63 3i53 h ALA 207 N 0.89 0.94 -0.36 3.77 0.00 -0.74 -1.47 119.26 122.29 3i53 h ALA 207 Ca 0.09 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 3i53 h ALA 207 Cb 0.83 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 3i53 h ALA 207 CO 0.07 0.64 0.04 0.00 0.00 0.00 0.00 179.25 180.00 3i53 h ALA 208 N 1.10 0.49 -0.34 0.00 0.00 -0.37 0.95 119.26 121.09 3i53 h ALA 208 Ca 0.17 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 3i53 h ALA 208 Cb 0.50 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3i53 h ALA 208 CO 0.02 0.22 0.09 1.25 0.00 0.00 0.00 179.25 180.83 3i53 h HIS 209 N 0.45 0.48 -0.35 0.00 6.17 -1.04 0.72 115.15 121.58 3i53 h HIS 209 Ca 0.11 -0.02 -0.15 0.00 0.71 0.00 0.00 60.37 61.02 3i53 h HIS 209 Cb 0.40 -0.15 -0.01 0.00 2.52 0.00 0.00 27.41 30.17 3i53 h HIS 209 CO 0.03 0.42 -0.37 0.00 0.71 0.00 0.00 177.93 178.72 3i53 h ARG 210 N 0.48 0.84 -0.12 5.26 3.08 -0.82 -2.16 114.38 120.92 3i53 h ARG 210 Ca 0.12 -0.43 -0.01 0.00 0.07 0.00 0.00 59.98 59.73 3i53 h ARG 210 Cb 0.17 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 3i53 h ARG 210 CO -0.01 1.06 0.06 -0.09 -1.07 0.00 0.00 179.97 179.92 3i53 h ARG 211 N 0.69 0.18 -0.42 0.04 2.43 0.59 -1.66 114.38 116.22 3i53 h ARG 211 Ca 0.06 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.18 3i53 h ARG 211 Cb 0.94 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.44 3i53 h ARG 211 CO 0.09 0.25 0.19 0.74 -1.51 0.00 0.00 179.97 179.72 3i53 h PHE 212 N 0.06 0.59 -0.01 2.20 0.04 -0.83 -0.65 116.94 118.34 3i53 h PHE 212 Ca 0.04 -0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 3i53 h PHE 212 Cb 0.13 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 38.10 3i53 h PHE 212 CO -0.03 0.45 0.00 -0.07 -0.60 0.00 0.00 178.31 178.07 3i53 h LEU 213 N 0.60 0.01 -0.47 1.54 3.38 -1.20 0.20 115.31 119.37 3i53 h LEU 213 Ca 0.15 -0.29 0.04 0.00 0.09 0.00 0.00 57.88 57.87 3i53 h LEU 213 Cb 0.10 -0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.80 3i53 h LEU 213 CO -0.02 0.30 0.23 0.44 0.09 0.00 0.00 178.44 179.48 3i53 h ASP 214 N -0.27 0.33 -0.44 -0.43 3.32 -0.64 -2.64 116.42 115.64 3i53 h ASP 214 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3i53 h ASP 214 Cb 0.29 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3i53 h ASP 214 CO 0.00 0.23 0.00 0.35 -1.72 0.00 0.00 179.24 178.10 3i53 n THR 215 N -4.91 0.75 -2.37 0.35 -2.24 -0.31 -4.93 114.28 100.62 3i53 n THR 215 Ca 0.04 -0.64 -0.14 0.00 -2.27 0.00 0.00 64.05 61.04 3i53 n THR 215 Cb 0.13 0.21 -0.00 0.00 -2.10 0.00 0.00 70.33 68.57 3i53 n THR 215 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i53 n GLY 216 N 1.10 -0.19 0.00 3.38 0.00 -0.89 -4.92 105.19 103.68 3i53 n GLY 216 Ca 0.15 -0.28 0.09 0.00 0.00 0.00 0.00 46.02 45.98 3i53 n GLY 216 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i53 n LEU 217 N -2.15 0.79 0.29 0.99 4.77 0.65 -4.49 117.00 117.84 3i53 n LEU 217 Ca -0.15 -0.45 0.08 0.00 -0.03 0.00 0.00 56.01 55.46 3i53 n LEU 217 Cb 0.62 0.00 0.43 0.00 -2.33 0.00 0.00 43.42 42.14 3i53 n LEU 217 CO 0.22 0.20 0.99 0.28 -1.33 0.00 0.00 177.39 177.75 3i53 h SER 218 N 0.00 0.00 -0.17 -1.43 0.02 -1.60 0.42 113.55 110.79 3i53 h SER 218 Ca 0.00 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.75 3i53 h SER 218 Cb 0.47 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.02 3i53 h SER 218 CO 0.00 0.00 -0.64 1.23 -1.14 0.00 0.00 176.83 176.28 3i53 h GLY 219 N 0.00 0.86 0.00 -3.77 0.00 -1.88 -3.34 103.07 94.94 3i53 h GLY 219 Ca 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 47.33 46.25 3i53 h GLY 219 CO 0.00 0.97 -0.89 0.54 0.00 0.00 0.00 176.54 177.16 3i53 n ARG 220 N -3.97 1.98 -5.10 4.80 1.74 0.12 -4.97 116.66 111.26 3i53 n ARG 220 Ca -0.05 -0.03 -0.31 0.00 -0.77 0.00 0.00 57.85 56.69 3i53 n ARG 220 Cb 0.67 -1.19 -0.15 0.00 -1.02 0.00 0.00 32.46 30.77 3i53 n ARG 220 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i53 s ALA 221 N -2.46 2.26 0.36 7.54 0.00 0.52 -2.17 121.76 127.81 3i53 s ALA 221 Ca 0.03 -1.16 0.05 0.00 0.00 0.00 0.00 51.96 50.88 3i53 s ALA 221 Cb 0.10 -0.57 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 3i53 s ALA 221 CO 0.57 0.54 0.21 1.14 0.00 0.00 0.00 175.76 178.21 3i53 s GLN 222 N -0.89 1.82 0.06 0.00 -2.07 -0.92 -4.29 119.66 113.37 3i53 s GLN 222 Ca 0.11 -2.08 0.04 0.00 -1.82 0.00 0.00 55.36 51.61 3i53 s GLN 222 Cb -0.10 -0.09 -0.03 0.00 -1.09 0.00 0.00 33.01 31.70 3i53 s GLN 222 CO 0.01 -0.57 -0.12 0.08 -1.32 0.00 0.00 175.29 173.37 3i53 s VAL 223 N -3.37 0.90 -0.18 3.63 1.01 -1.26 -1.61 120.40 119.52 3i53 s VAL 223 Ca 0.33 -1.19 -0.03 0.00 0.00 0.00 0.00 61.98 61.08 3i53 s VAL 223 Cb 0.02 -0.89 0.06 0.00 0.00 0.00 0.00 36.38 35.57 3i53 s VAL 223 CO 0.21 -0.26 0.05 -0.69 0.00 0.00 0.00 175.10 174.41 3i53 s VAL 224 N -1.27 0.32 -0.25 2.92 1.01 0.22 -4.91 120.40 118.44 3i53 s VAL 224 Ca -0.05 -0.40 -0.29 0.00 0.00 0.00 0.00 61.98 61.25 3i53 s VAL 224 Cb -0.10 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.43 3i53 s VAL 224 CO 0.02 -0.21 1.15 -0.69 0.00 0.00 0.00 175.10 175.37 3i53 s VAL 225 N 1.95 4.44 0.02 2.92 1.01 -1.26 -2.73 120.40 126.75 3i53 s VAL 225 Ca 0.00 1.70 -0.29 0.00 0.00 0.00 0.00 61.98 63.39 3i53 s VAL 225 Cb -0.16 -4.24 0.10 0.00 0.00 0.00 0.00 36.38 32.08 3i53 s VAL 225 CO -0.08 -0.31 1.14 -0.83 0.00 0.00 0.00 175.10 175.02 3i53 s GLY 226 N 1.81 -0.34 -0.14 4.51 0.00 -0.62 -4.96 107.32 107.57 3i53 s GLY 226 Ca 0.49 0.62 -0.10 0.00 0.00 0.00 0.00 44.72 45.73 3i53 s GLY 226 CO 0.14 0.14 0.20 -0.45 0.00 0.00 0.00 173.10 173.13 3i53 s SER 227 N -2.85 6.39 0.00 1.64 0.15 -1.26 -4.16 113.70 113.61 3i53 s SER 227 Ca 0.12 0.45 0.03 0.00 0.70 0.00 0.00 55.95 57.26 3i53 s SER 227 Cb 0.02 -2.12 0.17 0.00 -1.71 0.00 0.00 66.02 62.38 3i53 s SER 227 CO -0.02 0.26 0.83 2.22 1.20 0.00 0.00 173.24 177.73 3i53 n PHE 228 N 2.79 0.00 0.70 3.44 1.16 -1.26 -1.64 117.46 122.64 3i53 n PHE 228 Ca -0.16 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.53 3i53 n PHE 228 Cb 0.53 0.00 0.02 0.00 -1.61 0.00 0.00 39.48 38.42 3i53 n PHE 228 CO 0.00 0.00 0.00 1.19 -1.87 0.00 0.00 176.76 176.08 3i53 n PHE 229 N -0.56 0.16 -2.92 2.97 3.01 -1.26 -4.57 117.46 114.28 3i53 n PHE 229 Ca 0.02 0.05 -0.18 0.00 1.01 0.00 0.00 57.45 58.34 3i53 n PHE 229 Cb 0.01 -0.32 0.03 0.00 -0.01 0.00 0.00 39.48 39.19 3i53 n PHE 229 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3i53 s ASP 230 N -3.62 5.45 0.27 4.37 1.01 -0.65 -4.98 116.67 118.51 3i53 s ASP 230 Ca 0.05 -0.40 -0.30 0.00 0.71 0.00 0.00 52.55 52.61 3i53 s ASP 230 Cb 0.15 -0.54 -0.13 0.00 1.01 0.00 0.00 42.92 43.42 3i53 s ASP 230 CO 0.81 -0.97 1.42 -2.65 0.21 0.00 0.00 175.17 173.99 3i53 n PRO 231 N -2.05 2.18 -3.30 8.23 -0.02 -1.26 -4.94 135.00 133.85 3i53 n PRO 231 Ca 0.09 0.77 -0.18 0.00 -2.02 0.00 0.00 63.50 62.16 3i53 n PRO 231 Cb 0.60 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 3i53 n PRO 231 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i53 s LEU 232 N -0.24 3.86 -0.13 2.45 1.43 -1.26 -4.97 118.68 119.81 3i53 s LEU 232 Ca 0.65 -0.25 -0.29 0.00 -1.03 0.00 0.00 54.13 53.20 3i53 s LEU 232 Cb -0.60 -2.73 -0.06 0.00 0.03 0.00 0.00 46.19 42.83 3i53 s LEU 232 CO 0.52 -0.55 2.01 -2.84 0.23 0.00 0.00 176.35 175.72 3i53 s PRO 233 N -4.25 3.62 0.64 1.29 0.02 -1.26 -4.86 135.00 130.20 3i53 s PRO 233 Ca 0.49 2.16 -0.05 0.00 0.02 0.00 0.00 61.00 63.62 3i53 s PRO 233 Cb -0.10 -4.23 0.04 0.00 0.02 0.00 0.00 34.50 30.23 3i53 s PRO 233 CO 0.32 -1.54 0.93 0.00 -0.33 0.00 0.00 177.00 176.38 3i53 s ALA 234 N 6.34 3.33 0.00 -1.55 0.00 -1.26 -4.48 121.76 124.14 3i53 s ALA 234 Ca 0.91 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.94 3i53 s ALA 234 Cb -0.35 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.27 3i53 s ALA 234 CO 0.36 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.49 3i53 n GLY 235 N -2.71 2.97 3.73 0.00 0.00 -1.11 -5.06 105.19 103.02 3i53 n GLY 235 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 3i53 n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i53 s ALA 236 N -2.34 2.14 -0.18 4.61 0.00 -1.26 -4.95 121.76 119.78 3i53 s ALA 236 Ca 0.00 0.67 0.19 0.00 0.00 0.00 0.00 51.96 52.82 3i53 s ALA 236 Cb 0.00 -3.40 0.30 0.00 0.00 0.00 0.00 23.12 20.02 3i53 s ALA 236 CO 0.00 -1.83 1.56 0.78 0.00 0.00 0.00 175.76 176.27 3i53 h GLY 237 N -0.54 0.00 -4.70 0.00 0.00 -1.36 -3.41 103.07 93.07 3i53 h GLY 237 Ca -0.46 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.77 3i53 h GLY 237 CO 0.50 0.00 -0.13 -0.32 0.00 0.00 0.00 176.54 176.59 3i53 s GLY 238 N -4.36 -0.33 -0.13 4.60 0.00 -1.09 -0.47 107.32 105.54 3i53 s GLY 238 Ca 0.04 0.97 0.02 0.00 0.00 0.00 0.00 44.72 45.75 3i53 s GLY 238 CO 0.70 0.74 -0.17 -0.19 0.00 0.00 0.00 173.10 174.19 3i53 s TYR 239 N -0.62 2.23 -0.17 1.90 1.51 -0.23 -0.24 117.35 121.73 3i53 s TYR 239 Ca -0.07 -1.13 -0.08 0.00 -1.01 0.00 0.00 57.07 54.78 3i53 s TYR 239 Cb -0.03 -1.59 -0.04 0.00 -0.11 0.00 0.00 41.96 40.19 3i53 s TYR 239 CO 0.04 -0.57 0.10 0.08 -1.11 0.00 0.00 175.55 174.09 3i53 s VAL 240 N 1.07 5.13 -0.58 0.71 1.01 0.10 -0.58 120.40 127.26 3i53 s VAL 240 Ca -0.04 0.08 0.03 0.00 0.00 0.00 0.00 61.98 62.05 3i53 s VAL 240 Cb -0.14 -3.29 0.15 0.00 0.00 0.00 0.00 36.38 33.09 3i53 s VAL 240 CO -0.04 0.50 0.35 -0.76 0.00 0.00 0.00 175.10 175.14 3i53 s LEU 241 N -0.03 4.61 -0.46 3.92 1.43 0.30 -0.47 118.68 127.98 3i53 s LEU 241 Ca 0.08 -3.13 -0.20 0.00 -1.03 0.00 0.00 54.13 49.85 3i53 s LEU 241 Cb -0.12 -1.69 0.04 0.00 0.03 0.00 0.00 46.19 44.45 3i53 s LEU 241 CO 0.00 -0.23 0.60 -0.55 0.23 0.00 0.00 176.35 176.40 3i53 s SER 242 N -0.27 6.26 -1.43 2.29 0.15 -1.26 -0.82 113.70 118.63 3i53 s SER 242 Ca 0.18 -0.62 -0.07 0.00 0.70 0.00 0.00 55.95 56.15 3i53 s SER 242 Cb -0.21 -2.29 0.04 0.00 -1.71 0.00 0.00 66.02 61.85 3i53 s SER 242 CO -0.03 -0.79 0.82 0.00 1.20 0.00 0.00 173.24 174.43 3i53 n ALA 243 N 6.13 -1.66 -0.02 5.45 0.00 -0.03 -4.91 120.51 125.47 3i53 n ALA 243 Ca -0.04 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.34 3i53 n ALA 243 Cb 0.47 -3.15 -0.02 0.00 0.00 0.00 0.00 19.45 16.75 3i53 n ALA 243 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i53 n VAL 244 N -4.48 1.08 -0.35 0.00 0.31 -1.26 -4.79 118.33 108.84 3i53 n VAL 244 Ca -0.13 0.17 0.16 0.00 -0.01 0.00 0.00 64.34 64.53 3i53 n VAL 244 Cb 0.60 -1.79 0.37 0.00 -0.91 0.00 0.00 33.84 32.11 3i53 n VAL 244 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3i53 h LEU 245 N -0.35 0.69 -0.45 7.52 3.38 -1.91 0.57 115.31 124.76 3i53 h LEU 245 Ca -0.08 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3i53 h LEU 245 Cb 0.63 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3i53 h LEU 245 CO -0.05 0.14 0.00 0.00 0.09 0.00 0.00 178.44 178.63 3i53 n HIS 246 N -4.86 0.34 1.13 1.13 1.44 -1.26 -1.34 115.22 111.80 3i53 n HIS 246 Ca 0.26 0.15 0.14 0.00 -2.01 0.00 0.00 57.72 56.26 3i53 n HIS 246 Cb 0.70 -0.75 0.66 0.00 0.12 0.00 0.00 29.99 30.72 3i53 n HIS 246 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3i53 n ASP 247 N -1.83 0.01 -4.36 4.39 10.43 0.19 -0.23 116.55 125.15 3i53 n ASP 247 Ca 0.01 0.29 -0.19 0.00 2.57 0.00 0.00 54.79 57.47 3i53 n ASP 247 Cb 0.11 -0.42 -0.10 0.00 1.84 0.00 0.00 41.12 42.55 3i53 n ASP 247 CO 0.00 0.00 0.00 0.26 -1.07 0.00 0.00 177.20 176.39 3i53 s TRP 248 N -2.87 1.79 0.83 1.24 0.52 -0.45 -4.04 118.94 115.96 3i53 s TRP 248 Ca 0.18 -0.53 -0.12 0.00 0.02 0.00 0.00 56.10 55.66 3i53 s TRP 248 Cb 0.19 -0.83 0.09 0.00 -1.15 0.00 0.00 33.47 31.77 3i53 s TRP 248 CO 0.51 0.40 1.13 0.16 0.02 0.00 0.00 176.95 179.16 3i53 s ASP 249 N -3.25 4.25 0.17 2.95 1.47 -1.24 -3.74 116.67 117.28 3i53 s ASP 249 Ca 0.22 1.07 -0.14 0.00 1.18 0.00 0.00 52.55 54.88 3i53 s ASP 249 Cb -0.02 -1.71 0.14 0.00 -0.34 0.00 0.00 42.92 40.99 3i53 s ASP 249 CO 0.08 -2.09 1.72 0.44 0.68 0.00 0.00 175.17 176.00 3i53 h ASP 250 N -1.18 0.01 -0.30 2.11 3.32 -1.95 0.19 116.42 118.62 3i53 h ASP 250 Ca -0.48 0.07 0.06 0.00 0.02 0.00 0.00 57.03 56.71 3i53 h ASP 250 Cb 1.30 0.10 -0.06 0.00 0.22 0.00 0.00 39.33 40.89 3i53 h ASP 250 CO 0.62 0.04 -0.10 0.25 -1.72 0.00 0.00 179.24 178.33 3i53 h LEU 251 N 0.22 -0.35 -0.47 1.55 7.12 -2.00 0.06 115.31 121.44 3i53 h LEU 251 Ca 0.21 0.10 -0.17 0.00 0.13 0.00 0.00 57.88 58.16 3i53 h LEU 251 Cb 0.26 0.21 -0.00 0.00 -0.53 0.00 0.00 40.66 40.61 3i53 h LEU 251 CO -0.28 -0.13 -0.54 0.28 -0.13 0.00 0.00 178.44 177.64 3i53 h SER 252 N -0.03 0.71 -0.19 1.25 0.02 -1.87 -2.53 113.55 110.90 3i53 h SER 252 Ca 0.15 -0.37 0.01 0.00 -0.84 0.00 0.00 61.79 60.74 3i53 h SER 252 Cb 0.26 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 3i53 h SER 252 CO -0.33 1.11 0.08 0.00 -1.14 0.00 0.00 176.83 176.54 3i53 h ALA 253 N 0.91 0.22 -0.45 3.77 0.00 -0.44 -0.35 119.26 122.92 3i53 h ALA 253 Ca 0.01 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 3i53 h ALA 253 Cb 1.10 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 3i53 h ALA 253 CO 0.11 -0.35 0.09 -0.39 0.00 0.00 0.00 179.25 178.71 3i53 h VAL 254 N 0.18 1.20 -0.55 0.00 -1.51 -0.99 0.05 116.25 114.64 3i53 h VAL 254 Ca 0.08 -0.75 0.03 0.00 -1.23 0.00 0.00 66.70 64.83 3i53 h VAL 254 Cb 0.03 0.76 -0.04 0.00 -2.13 0.00 0.00 31.29 29.92 3i53 h VAL 254 CO -0.07 0.27 0.33 0.00 -1.23 0.00 0.00 177.57 176.87 3i53 h ALA 255 N 1.44 0.71 -0.08 5.19 0.00 -0.86 0.35 119.26 126.02 3i53 h ALA 255 Ca 0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 3i53 h ALA 255 Cb 0.27 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3i53 h ALA 255 CO -0.00 0.04 -0.01 0.82 0.00 0.00 0.00 179.25 180.10 3i53 h ILE 256 N 0.64 1.27 -0.71 0.00 2.04 -0.52 -2.34 117.51 117.89 3i53 h ILE 256 Ca 0.22 -0.87 0.01 0.00 1.00 0.00 0.00 64.86 65.22 3i53 h ILE 256 Cb 0.04 1.70 -0.04 0.00 -0.74 0.00 0.00 36.82 37.78 3i53 h ILE 256 CO -0.10 0.24 0.47 -0.07 0.00 0.00 0.00 178.15 178.69 3i53 h LEU 257 N -0.17 0.82 -0.97 1.44 3.38 -0.71 -1.75 115.31 117.35 3i53 h LEU 257 Ca 0.02 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 3i53 h LEU 257 Cb 0.38 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 3i53 h LEU 257 CO 0.01 0.60 0.28 -0.09 0.09 0.00 0.00 178.44 179.32 3i53 h ARG 258 N 0.97 1.02 0.00 1.13 2.43 -0.17 0.20 114.38 119.96 3i53 h ARG 258 Ca 0.26 -0.17 -0.10 0.00 -0.81 0.00 0.00 59.98 59.16 3i53 h ARG 258 Cb -0.11 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.25 3i53 h ARG 258 CO -0.06 0.83 -0.46 0.00 -1.51 0.00 0.00 179.97 178.78 3i53 h ARG 259 N 1.00 0.00 -0.07 0.20 2.47 -0.79 -1.72 114.38 115.47 3i53 h ARG 259 Ca 0.23 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.83 3i53 h ARG 259 Cb 0.19 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.52 3i53 h ARG 259 CO -0.02 0.46 -0.45 0.00 0.56 0.00 0.00 179.97 180.52 3i53 h ALA 261 N 0.42 1.20 0.64 0.00 0.00 -0.91 0.50 119.26 121.11 3i53 h ALA 261 Ca -0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3i53 h ALA 261 Cb 1.11 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3i53 h ALA 261 CO 0.09 0.58 -0.48 0.93 0.00 0.00 0.00 179.25 180.37 3i53 h GLU 262 N 0.96 -1.05 -0.36 0.00 5.08 -1.30 0.60 114.58 118.52 3i53 h GLU 262 Ca 0.22 0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 3i53 h GLU 262 Cb 0.20 0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 3i53 h GLU 262 CO -0.02 -0.70 0.21 0.00 -1.00 0.00 0.00 179.01 177.51 3i53 h ALA 263 N -1.09 1.70 0.08 3.43 0.00 -1.11 -2.88 119.26 119.39 3i53 h ALA 263 Ca -0.08 -0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.53 3i53 h ALA 263 Cb 0.90 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 3i53 h ALA 263 CO 0.03 0.26 -1.11 0.00 0.00 0.00 0.00 179.25 178.43 3i53 h ALA 264 N 1.75 0.23 -0.97 0.00 0.00 -0.72 -2.93 119.26 116.61 3i53 h ALA 264 Ca 0.13 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 54.21 3i53 h ALA 264 Cb -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3i53 h ALA 264 CO -0.02 0.95 0.00 0.41 0.00 0.00 0.00 179.25 180.59 3i53 n GLY 265 N 1.31 0.99 0.16 0.00 0.00 0.19 -0.80 105.19 107.03 3i53 n GLY 265 Ca -0.07 -0.71 0.03 0.00 0.00 0.00 0.00 46.02 45.27 3i53 n GLY 265 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3i53 h SER 266 N 4.52 0.00 0.93 1.61 4.64 -1.92 -3.34 113.55 119.99 3i53 h SER 266 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 3i53 h SER 266 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3i53 h SER 266 CO 0.00 0.47 -1.13 1.23 -0.87 0.00 0.00 176.83 176.53 3i53 h GLY 267 N 2.48 0.00 -1.61 -0.77 0.00 -1.96 -3.44 103.07 97.77 3i53 h GLY 267 Ca -0.00 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.86 3i53 h GLY 267 CO 0.06 0.00 0.03 -0.32 0.00 0.00 0.00 176.54 176.31 3i53 s GLY 268 N -4.57 1.77 0.16 4.60 0.00 0.02 -4.95 107.32 104.35 3i53 s GLY 268 Ca -0.01 -1.77 0.08 0.00 0.00 0.00 0.00 44.72 43.02 3i53 s GLY 268 CO 0.79 -1.28 -0.18 -1.34 0.00 0.00 0.00 173.10 171.09 3i53 s VAL 269 N -2.95 1.75 -0.14 1.40 -7.23 0.38 -4.58 120.40 109.04 3i53 s VAL 269 Ca 0.64 -1.88 0.02 0.00 -1.81 0.00 0.00 61.98 58.95 3i53 s VAL 269 Cb -0.06 -1.79 0.01 0.00 0.56 0.00 0.00 36.38 35.10 3i53 s VAL 269 CO 0.42 -0.32 -0.20 -0.69 -0.31 0.00 0.00 175.10 174.00 3i53 s VAL 270 N -2.02 1.91 -0.28 1.32 1.01 0.02 -1.06 120.40 121.30 3i53 s VAL 270 Ca 0.14 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 3i53 s VAL 270 Cb -0.06 -1.71 0.04 0.00 0.00 0.00 0.00 36.38 34.66 3i53 s VAL 270 CO 0.06 0.52 -0.02 -0.76 0.00 0.00 0.00 175.10 174.90 3i53 s LEU 271 N 0.95 3.64 -0.24 3.92 1.43 0.25 -0.26 118.68 128.37 3i53 s LEU 271 Ca -0.05 -1.10 -0.16 0.00 -1.03 0.00 0.00 54.13 51.79 3i53 s LEU 271 Cb -0.15 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.33 3i53 s LEU 271 CO -0.04 -0.21 0.44 -0.69 0.23 0.00 0.00 176.35 176.08 3i53 s VAL 272 N 1.29 5.15 -0.26 -1.59 1.01 0.08 -0.54 120.40 125.54 3i53 s VAL 272 Ca -0.03 0.75 0.02 0.00 0.00 0.00 0.00 61.98 62.72 3i53 s VAL 272 Cb -0.18 -3.76 0.06 0.00 0.00 0.00 0.00 36.38 32.49 3i53 s VAL 272 CO -0.02 0.17 -0.10 -0.63 0.00 0.00 0.00 175.10 174.53 3i53 s ILE 273 N 1.82 2.31 0.03 2.22 1.01 0.00 0.36 121.20 128.95 3i53 s ILE 273 Ca 0.19 -1.54 -0.28 0.00 0.00 0.00 0.00 60.65 59.01 3i53 s ILE 273 Cb -0.15 -2.33 0.10 0.00 0.01 0.00 0.00 42.46 40.09 3i53 s ILE 273 CO 0.09 -0.00 1.22 -1.83 0.00 0.00 0.00 174.94 174.41 3i53 s GLU 274 N 1.14 0.60 -0.51 2.79 -1.05 -0.84 -0.85 118.70 119.97 3i53 s GLU 274 Ca -0.07 -0.35 -0.28 0.00 -0.15 0.00 0.00 54.97 54.12 3i53 s GLU 274 Cb -0.19 0.19 0.01 0.00 -0.44 0.00 0.00 34.13 33.69 3i53 s GLU 274 CO -0.05 -0.28 1.49 0.00 0.95 0.00 0.00 175.26 177.38 3i53 s ALA 275 N -2.45 2.82 0.64 -0.84 0.00 -1.26 -2.03 121.76 118.63 3i53 s ALA 275 Ca 0.17 -0.45 -0.15 0.00 0.00 0.00 0.00 51.96 51.53 3i53 s ALA 275 Cb 0.02 -4.07 -0.01 0.00 0.00 0.00 0.00 23.12 19.06 3i53 s ALA 275 CO -0.02 -2.86 1.10 0.14 0.00 0.00 0.00 175.76 174.13 3i53 s VAL 276 N 6.26 3.33 0.17 0.00 -7.23 -1.26 -4.60 120.40 117.06 3i53 s VAL 276 Ca 0.59 0.63 0.05 0.00 -1.81 0.00 0.00 61.98 61.44 3i53 s VAL 276 Cb -0.13 -3.16 0.05 0.00 0.56 0.00 0.00 36.38 33.71 3i53 s VAL 276 CO 0.27 -0.37 0.95 0.00 -0.31 0.00 0.00 175.10 175.65 3i53 n ALA 277 N -2.28 0.26 1.59 1.32 0.00 0.26 -4.81 120.51 116.85 3i53 n ALA 277 Ca 0.10 0.05 0.07 0.00 0.00 0.00 0.00 53.44 53.66 3i53 n ALA 277 Cb 0.52 -0.32 0.44 0.00 0.00 0.00 0.00 19.45 20.09 3i53 n ALA 277 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i53 n GLY 278 N -1.25 -0.79 1.45 0.00 0.00 -1.26 -4.95 105.19 98.39 3i53 n GLY 278 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3i53 n GLY 278 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i53 n ALA 282 N -0.79 0.00 -3.00 4.61 0.00 -1.26 -5.14 120.51 114.92 3i53 n ALA 282 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3i53 n ALA 282 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.50 3i53 n ALA 282 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i53 n GLY 283 N 1.58 4.23 0.39 0.00 0.00 -1.26 -4.93 105.19 105.20 3i53 n GLY 283 Ca 0.00 -0.84 0.19 0.00 0.00 0.00 0.00 46.02 45.38 3i53 n GLY 283 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3i53 h THR 284 N 0.00 0.60 0.22 2.61 1.35 -1.99 -1.21 112.91 114.51 3i53 h THR 284 Ca 0.00 -0.17 -0.01 0.00 -0.55 0.00 0.00 66.41 65.68 3i53 h THR 284 Cb 0.00 0.08 0.00 0.00 -1.73 0.00 0.00 68.15 66.50 3i53 h THR 284 CO 0.00 0.09 -0.11 1.23 -0.25 0.00 0.00 175.52 176.48 3i53 h GLY 285 N 0.49 -0.31 1.20 5.82 0.00 -2.00 -1.79 103.07 106.46 3i53 h GLY 285 Ca 0.56 0.12 -0.11 0.00 0.00 0.00 0.00 47.33 47.90 3i53 h GLY 285 CO -0.29 -0.11 -0.12 1.98 0.00 0.00 0.00 176.54 177.99 3i53 h MET 286 N -0.33 0.94 -0.42 4.80 -1.53 -1.81 -2.28 114.93 114.30 3i53 h MET 286 Ca -0.03 -0.34 0.08 0.00 -3.44 0.00 0.00 59.70 55.97 3i53 h MET 286 Cb 0.26 -0.06 -0.08 0.00 -0.55 0.00 0.00 31.60 31.16 3i53 h MET 286 CO 0.05 1.00 -0.09 0.22 0.14 0.00 0.00 176.91 178.23 3i53 h ASP 287 N 0.84 -0.37 -0.39 1.39 3.58 -1.10 0.23 116.42 120.60 3i53 h ASP 287 Ca 0.13 0.12 -0.06 0.00 0.42 0.00 0.00 57.03 57.65 3i53 h ASP 287 Cb 0.66 0.25 -0.02 0.00 1.72 0.00 0.00 39.33 41.95 3i53 h ASP 287 CO 0.05 -0.13 0.05 -0.07 -2.88 0.00 0.00 179.24 176.25 3i53 h LEU 288 N 0.01 0.70 -0.48 2.28 3.38 -1.11 -1.19 115.31 118.90 3i53 h LEU 288 Ca 0.20 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3i53 h LEU 288 Cb 0.31 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3i53 h LEU 288 CO -0.43 0.74 0.25 -0.09 0.09 0.00 0.00 178.44 179.00 3i53 h ARG 289 N 0.71 0.67 -0.64 1.13 2.43 -0.48 0.89 114.38 119.09 3i53 h ARG 289 Ca 0.15 -0.09 -0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3i53 h ARG 289 Cb 0.36 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.76 3i53 h ARG 289 CO 0.01 0.54 0.38 0.52 -1.51 0.00 0.00 179.97 179.92 3i53 h MET 290 N 0.63 0.87 -0.27 0.20 2.86 -0.25 0.35 114.93 119.32 3i53 h MET 290 Ca 0.17 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 3i53 h MET 290 Cb 0.08 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.54 3i53 h MET 290 CO -0.02 0.62 0.14 1.25 1.06 0.00 0.00 176.91 179.95 3i53 h LEU 291 N 0.86 0.34 -0.60 1.22 5.85 -0.73 -1.05 115.31 121.21 3i53 h LEU 291 Ca 0.23 -0.10 -0.12 0.00 0.84 0.00 0.00 57.88 58.72 3i53 h LEU 291 Cb -0.02 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 3i53 h LEU 291 CO -0.04 0.35 -0.20 0.71 -0.34 0.00 0.00 178.44 178.91 3i53 h THR 292 N 0.31 1.27 0.12 1.05 1.35 -0.53 -0.45 112.91 116.03 3i53 h THR 292 Ca 0.09 -1.35 -0.01 0.00 -0.55 0.00 0.00 66.41 64.60 3i53 h THR 292 Cb 0.09 1.14 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 3i53 h THR 292 CO -0.01 0.46 -0.06 1.88 -0.25 0.00 0.00 175.52 177.54 3i53 h TYR 293 N 0.78 -0.15 0.00 4.73 0.99 -0.91 0.40 116.97 122.82 3i53 h TYR 293 Ca 0.11 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.83 3i53 h TYR 293 Cb 0.75 0.05 0.00 0.00 1.00 0.00 0.00 36.73 38.53 3i53 h TYR 293 CO 0.04 0.33 0.00 1.19 -0.00 0.00 0.00 178.16 179.73 3i53 n PHE 294 N -4.88 0.00 -0.95 4.88 3.72 -0.58 -4.49 117.46 115.15 3i53 n PHE 294 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 3i53 n PHE 294 Cb 0.28 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.82 3i53 n PHE 294 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i53 n GLY 295 N 0.28 0.45 0.00 1.37 0.00 -0.18 -4.60 105.19 102.51 3i53 n GLY 295 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 3i53 n GLY 295 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i53 n GLY 296 N -2.95 -0.58 3.58 -0.02 0.00 -0.50 -3.72 105.19 100.99 3i53 n GLY 296 Ca 0.00 -1.70 -0.08 0.00 0.00 0.00 0.00 46.02 44.24 3i53 n GLY 296 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i53 s LYS 297 N -0.95 0.50 0.12 1.61 -2.85 0.68 -3.32 119.74 115.53 3i53 s LYS 297 Ca 0.00 0.03 -0.26 0.00 -1.00 0.00 0.00 55.97 54.74 3i53 s LYS 297 Cb 0.00 0.23 -0.07 0.00 -2.06 0.00 0.00 37.83 35.93 3i53 s LYS 297 CO 0.00 -0.17 0.82 -1.21 0.10 0.00 0.00 175.35 174.89 3i53 s GLU 298 N -1.52 4.59 0.23 1.78 2.02 -1.26 -4.25 118.70 120.29 3i53 s GLU 298 Ca 0.02 1.21 0.11 0.00 0.02 0.00 0.00 54.97 56.33 3i53 s GLU 298 Cb -0.01 -3.32 -0.05 0.00 0.10 0.00 0.00 34.13 30.86 3i53 s GLU 298 CO -0.02 0.41 -0.20 1.03 0.02 0.00 0.00 175.26 176.49 3i53 s ARG 299 N -0.57 1.53 0.66 1.61 0.52 -1.26 -4.87 118.95 116.56 3i53 s ARG 299 Ca 0.39 -1.63 -0.04 0.00 -0.52 0.00 0.00 55.73 53.93 3i53 s ARG 299 Cb -0.23 -1.64 0.05 0.00 0.52 0.00 0.00 34.95 33.66 3i53 s ARG 299 CO 0.26 0.32 0.94 -1.54 0.02 0.00 0.00 175.30 175.30 3i53 s SER 300 N -3.14 4.95 0.39 0.23 1.04 -1.26 0.90 113.70 116.81 3i53 s SER 300 Ca 0.24 0.29 0.07 0.00 0.48 0.00 0.00 55.95 57.04 3i53 s SER 300 Cb -0.05 -1.01 0.77 0.00 0.10 0.00 0.00 66.02 65.83 3i53 s SER 300 CO 0.11 -1.46 1.98 0.25 0.98 0.00 0.00 173.24 175.10 3i53 h LEU 301 N -0.39 0.42 -0.23 2.42 5.85 -1.98 -0.63 115.31 120.78 3i53 h LEU 301 Ca -0.44 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.20 3i53 h LEU 301 Cb 1.31 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 3i53 h LEU 301 CO 0.57 0.41 -0.02 0.00 -0.34 0.00 0.00 178.44 179.07 3i53 h ALA 302 N 1.65 0.31 -0.31 1.25 0.00 -1.99 0.13 119.26 120.30 3i53 h ALA 302 Ca 0.11 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3i53 h ALA 302 Cb 0.14 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 3i53 h ALA 302 CO -0.01 0.06 -0.02 0.93 0.00 0.00 0.00 179.25 180.21 3i53 h GLU 303 N 0.17 0.49 -0.69 0.00 5.08 -1.82 -0.57 114.58 117.24 3i53 h GLU 303 Ca 0.06 -0.11 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 3i53 h GLU 303 Cb 0.44 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 3i53 h GLU 303 CO 0.02 0.53 0.17 1.25 -1.00 0.00 0.00 179.01 179.98 3i53 h LEU 304 N 0.47 1.05 -0.72 1.33 5.85 -0.82 -1.28 115.31 121.18 3i53 h LEU 304 Ca 0.10 -0.23 -0.08 0.00 0.84 0.00 0.00 57.88 58.51 3i53 h LEU 304 Cb 0.34 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 3i53 h LEU 304 CO 0.01 1.01 0.12 1.23 -0.34 0.00 0.00 178.44 180.46 3i53 h GLY 305 N 1.04 1.18 1.06 3.75 0.00 0.19 0.10 103.07 110.39 3i53 h GLY 305 Ca 0.22 -0.78 -0.06 0.00 0.00 0.00 0.00 47.33 46.71 3i53 h GLY 305 CO 0.00 0.72 0.21 -2.09 0.00 0.00 0.00 176.54 175.39 3i53 h GLU 306 N 1.03 1.15 -0.50 4.80 4.57 -0.79 -1.07 114.58 123.76 3i53 h GLU 306 Ca 0.20 -0.26 -0.09 0.00 -1.18 0.00 0.00 59.36 58.04 3i53 h GLU 306 Cb 0.43 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.84 3i53 h GLU 306 CO 0.01 0.99 -0.02 -0.07 -1.18 0.00 0.00 179.01 178.74 3i53 h LEU 307 N 1.09 0.89 -0.43 1.64 3.38 -0.85 -2.95 115.31 118.10 3i53 h LEU 307 Ca 0.23 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.91 3i53 h LEU 307 Cb 0.33 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3i53 h LEU 307 CO -0.00 1.00 0.25 0.00 0.09 0.00 0.00 178.44 179.77 3i53 h ALA 308 N 0.93 0.54 -0.52 1.53 0.00 -0.33 -2.62 119.26 118.79 3i53 h ALA 308 Ca 0.14 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.10 3i53 h ALA 308 Cb 0.55 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.18 3i53 h ALA 308 CO 0.03 -0.08 0.24 0.00 0.00 0.00 0.00 179.25 179.44 3i53 h ALA 309 N 1.19 0.66 0.00 0.00 0.00 -1.01 0.18 119.26 120.29 3i53 h ALA 309 Ca 0.17 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.12 3i53 h ALA 309 Cb 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3i53 h ALA 309 CO -0.08 -0.13 0.00 1.96 0.00 0.00 0.00 179.25 181.00 3i53 h GLN 310 N 0.46 0.00 -0.55 0.00 4.20 -1.29 -0.18 115.11 117.74 3i53 h GLN 310 Ca 0.24 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.95 3i53 h GLN 310 Cb 0.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.97 3i53 h GLN 310 CO -0.19 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 177.97 3i53 n ALA 311 N -2.00 2.31 -1.12 3.87 0.00 -0.28 -4.93 120.51 118.35 3i53 n ALA 311 Ca -0.02 -1.20 -0.01 0.00 0.00 0.00 0.00 53.44 52.21 3i53 n ALA 311 Cb 0.09 -0.74 -0.00 0.00 0.00 0.00 0.00 19.45 18.80 3i53 n ALA 311 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i53 n GLY 312 N 1.22 0.43 3.66 0.00 0.00 -0.08 -4.68 105.19 105.75 3i53 n GLY 312 Ca 0.19 -1.04 -0.25 0.00 0.00 0.00 0.00 46.02 44.92 3i53 n GLY 312 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i53 s LEU 313 N -0.17 3.03 -0.01 0.99 1.43 0.49 -0.26 118.68 124.18 3i53 s LEU 313 Ca 0.00 -1.03 -0.02 0.00 -1.03 0.00 0.00 54.13 52.05 3i53 s LEU 313 Cb 0.00 -1.36 -0.00 0.00 0.03 0.00 0.00 46.19 44.85 3i53 s LEU 313 CO 0.00 -0.33 0.04 0.00 0.23 0.00 0.00 176.35 176.29 3i53 s ALA 314 N -2.55 -0.10 -0.02 4.21 0.00 -0.48 -2.73 121.76 120.09 3i53 s ALA 314 Ca 0.37 -0.05 -0.30 0.00 0.00 0.00 0.00 51.96 51.97 3i53 s ALA 314 Cb 0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 3i53 s ALA 314 CO 0.20 -0.08 0.98 0.08 0.00 0.00 0.00 175.76 176.94 3i53 s VAL 315 N -0.48 4.86 -0.03 0.00 1.01 -1.26 -1.61 120.40 122.89 3i53 s VAL 315 Ca -0.05 2.05 0.10 0.00 0.00 0.00 0.00 61.98 64.07 3i53 s VAL 315 Cb -0.03 -4.31 -0.16 0.00 0.00 0.00 0.00 36.38 31.88 3i53 s VAL 315 CO -0.00 0.13 0.23 0.54 0.00 0.00 0.00 175.10 176.00 3i53 n ARG 316 N 4.13 0.40 -3.58 2.72 5.12 0.67 -4.98 116.66 121.14 3i53 n ARG 316 Ca 0.06 -0.09 -0.05 0.00 -1.93 0.00 0.00 57.85 55.84 3i53 n ARG 316 Cb 0.51 -1.23 -0.02 0.00 -1.16 0.00 0.00 32.46 30.55 3i53 n ARG 316 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i53 s ALA 317 N -2.68 -2.02 -0.17 7.54 0.00 -1.19 -5.01 121.76 118.23 3i53 s ALA 317 Ca -0.04 1.40 -0.05 0.00 0.00 0.00 0.00 51.96 53.28 3i53 s ALA 317 Cb 0.06 0.04 0.07 0.00 0.00 0.00 0.00 23.12 23.29 3i53 s ALA 317 CO 0.42 -0.65 0.12 0.00 0.00 0.00 0.00 175.76 175.65 3i53 s ALA 318 N -2.59 0.25 -0.27 0.00 0.00 -1.26 -0.53 121.76 117.36 3i53 s ALA 318 Ca 0.09 -0.15 -0.11 0.00 0.00 0.00 0.00 51.96 51.78 3i53 s ALA 318 Cb -0.01 -1.08 -0.05 0.00 0.00 0.00 0.00 23.12 21.99 3i53 s ALA 318 CO -0.05 -1.15 0.20 -1.01 0.00 0.00 0.00 175.76 173.74 3i53 s HIS 319 N 2.18 3.24 0.32 0.00 3.76 0.23 -4.89 115.29 120.12 3i53 s HIS 319 Ca 0.03 0.15 -0.27 0.00 -0.15 0.00 0.00 55.06 54.82 3i53 s HIS 319 Cb -0.16 -2.37 -0.09 0.00 1.11 0.00 0.00 32.58 31.06 3i53 s HIS 319 CO -0.09 -0.13 1.02 -2.14 -0.85 0.00 0.00 174.74 172.55 3i53 s PRO 320 N 1.67 4.54 0.00 8.40 0.02 -1.26 0.74 135.00 149.10 3i53 s PRO 320 Ca 0.08 1.55 0.00 0.00 0.02 0.00 0.00 61.00 62.65 3i53 s PRO 320 Cb -0.16 -2.94 0.00 0.00 0.02 0.00 0.00 34.50 31.43 3i53 s PRO 320 CO 0.10 0.19 0.00 0.44 -0.33 0.00 0.00 177.00 177.40 3i53 n ILE 321 N 0.75 0.00 0.00 2.83 -5.35 -0.62 -4.88 119.36 112.09 3i53 n ILE 321 Ca 0.01 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.38 3i53 n ILE 321 Cb 0.48 0.67 0.00 0.00 -1.74 0.00 0.00 39.64 39.05 3i53 n ILE 321 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 3i53 n SER 322 N -0.42 0.00 0.23 7.28 3.41 -1.26 -4.90 113.62 117.96 3i53 n SER 322 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 3i53 n SER 322 Cb 0.00 0.00 0.33 0.00 -0.26 0.00 0.00 64.21 64.28 3i53 n SER 322 CO 0.00 0.00 0.00 1.88 -0.16 0.00 0.00 175.04 176.76 3i53 h TYR 323 N 0.00 0.00 -1.03 7.33 0.05 -1.90 -3.45 116.97 117.97 3i53 h TYR 323 Ca 0.00 0.00 -0.61 0.00 0.05 0.00 0.00 58.73 58.17 3i53 h TYR 323 Cb 0.00 0.00 -0.10 0.00 1.01 0.00 0.00 36.73 37.64 3i53 h TYR 323 CO 0.00 0.08 -0.48 0.14 -1.05 0.00 0.00 178.16 176.86 3i53 s VAL 324 N -3.36 1.79 0.12 -2.88 -7.23 -1.26 -4.60 120.40 102.97 3i53 s VAL 324 Ca 0.04 -1.79 0.03 0.00 -1.81 0.00 0.00 61.98 58.45 3i53 s VAL 324 Cb 0.07 -2.58 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 3i53 s VAL 324 CO 0.64 0.00 -0.07 -0.44 -0.31 0.00 0.00 175.10 174.91 3i53 s SER 325 N -3.94 1.38 -0.29 4.85 0.01 -0.86 -1.59 113.70 113.25 3i53 s SER 325 Ca 0.28 -1.02 -0.06 0.00 1.31 0.00 0.00 55.95 56.46 3i53 s SER 325 Cb 0.03 0.06 0.01 0.00 0.21 0.00 0.00 66.02 66.33 3i53 s SER 325 CO 0.16 -0.42 0.06 -0.63 0.41 0.00 0.00 173.24 172.82 3i53 s ILE 326 N -3.52 3.85 -0.30 1.44 1.01 0.23 -1.99 121.20 121.91 3i53 s ILE 326 Ca 0.14 -0.73 -0.10 0.00 0.00 0.00 0.00 60.65 59.97 3i53 s ILE 326 Cb 0.04 -2.98 -0.02 0.00 0.01 0.00 0.00 42.46 39.51 3i53 s ILE 326 CO -0.02 0.09 0.15 -0.69 0.00 0.00 0.00 174.94 174.47 3i53 s VAL 327 N 1.48 4.68 -0.21 2.92 1.01 0.16 0.77 120.40 131.21 3i53 s VAL 327 Ca 0.02 -0.29 -0.19 0.00 0.00 0.00 0.00 61.98 61.53 3i53 s VAL 327 Cb -0.17 -3.34 -0.03 0.00 0.00 0.00 0.00 36.38 32.84 3i53 s VAL 327 CO 0.02 0.13 0.54 -0.70 0.00 0.00 0.00 175.10 175.09 3i53 s GLU 328 N 1.64 4.18 0.08 2.72 2.12 0.31 -0.74 118.70 129.00 3i53 s GLU 328 Ca 0.05 0.44 0.08 0.00 0.36 0.00 0.00 54.97 55.90 3i53 s GLU 328 Cb -0.17 -3.58 -0.03 0.00 0.26 0.00 0.00 34.13 30.62 3i53 s GLU 328 CO 0.07 -0.19 -0.21 -1.64 -0.54 0.00 0.00 175.26 172.74 3i53 s MET 329 N 1.78 1.25 0.22 4.30 -1.94 0.64 -0.24 119.30 125.30 3i53 s MET 329 Ca 0.24 -1.08 -0.02 0.00 -1.71 0.00 0.00 55.69 53.12 3i53 s MET 329 Cb -0.15 -1.47 -0.03 0.00 2.01 0.00 0.00 34.83 35.18 3i53 s MET 329 CO 0.10 0.36 0.18 0.95 -0.01 0.00 0.00 175.02 176.60 3i53 s THR 330 N -1.01 0.00 0.08 2.05 -4.23 -0.63 -0.80 115.64 111.11 3i53 s THR 330 Ca 0.07 -1.93 -0.37 0.00 -1.18 0.00 0.00 61.69 58.28 3i53 s THR 330 Cb -0.10 -2.47 -0.17 0.00 1.34 0.00 0.00 72.50 71.10 3i53 s THR 330 CO 0.03 0.00 1.33 0.00 -0.54 0.00 0.00 174.62 175.45 3i53 n ALA 331 N -0.31 -1.06 1.87 3.99 0.00 -1.26 -1.38 120.51 122.35 3i53 n ALA 331 Ca 0.02 0.52 0.15 0.00 0.00 0.00 0.00 53.44 54.13 3i53 n ALA 331 Cb 0.65 -2.07 0.89 0.00 0.00 0.00 0.00 19.45 18.92 3i53 n ALA 331 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39