#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i58 s ALA 6 N 0.00 3.28 -0.89 0.00 0.00 -1.26 -4.42 121.76 118.46 3i58 s ALA 6 Ca 0.00 -2.79 0.09 0.00 0.00 0.00 0.00 51.96 49.26 3i58 s ALA 6 Cb 0.00 -4.44 0.01 0.00 0.00 0.00 0.00 23.12 18.69 3i58 s ALA 6 CO 0.00 -3.25 0.63 0.72 0.00 0.00 0.00 175.76 173.86 3i58 n HIS 7 N 7.80 0.00 -4.15 0.00 8.25 -1.26 -4.99 115.22 120.88 3i58 n HIS 7 Ca 0.39 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.69 3i58 n HIS 7 Cb 0.47 0.00 -0.12 0.00 1.12 0.00 0.00 29.99 31.46 3i58 n HIS 7 CO 0.00 0.00 0.00 0.96 0.64 0.00 0.00 176.34 177.94 3i58 s ILE 8 N -1.18 0.86 0.87 1.59 -0.00 -1.26 -5.15 121.20 116.94 3i58 s ILE 8 Ca 0.08 -1.15 -0.15 0.00 -0.00 0.00 0.00 60.65 59.44 3i58 s ILE 8 Cb 0.07 -0.86 -0.02 0.00 -0.00 0.00 0.00 42.46 41.66 3i58 s ILE 8 CO 0.21 -0.25 0.28 0.61 -0.00 0.00 0.00 174.94 175.78 3i58 n GLY 9 N 1.47 -2.22 0.15 6.27 0.00 -1.26 -4.69 105.19 104.92 3i58 n GLY 9 Ca -0.21 -0.62 -0.09 0.00 0.00 0.00 0.00 46.02 45.10 3i58 n GLY 9 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3i58 h LEU 10 N -1.05 0.39 -0.99 0.99 5.85 -2.01 0.23 115.31 118.72 3i58 h LEU 10 Ca -0.44 -0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.12 3i58 h LEU 10 Cb 1.31 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 3i58 h LEU 10 CO 0.36 0.35 -0.26 0.03 -0.34 0.00 0.00 178.44 178.57 3i58 h ARG 11 N 0.41 0.42 -0.21 1.25 3.08 -1.97 -1.78 114.38 115.58 3i58 h ARG 11 Ca 0.11 -0.16 -0.11 0.00 0.07 0.00 0.00 59.98 59.90 3i58 h ARG 11 Cb 0.03 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3i58 h ARG 11 CO -0.02 0.65 -0.33 0.00 -1.07 0.00 0.00 179.97 179.20 3i58 h ALA 12 N 1.36 1.04 0.00 0.04 0.00 -1.84 -1.25 119.26 118.61 3i58 h ALA 12 Ca 0.05 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.55 3i58 h ALA 12 Cb 0.66 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3i58 h ALA 12 CO 0.05 0.59 -0.13 1.25 0.00 0.00 0.00 179.25 181.00 3i58 h LEU 13 N 0.38 0.00 -2.80 0.00 5.85 -0.20 -2.10 115.31 116.44 3i58 h LEU 13 Ca 0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3i58 h LEU 13 Cb 0.76 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.79 3i58 h LEU 13 CO 0.06 0.13 0.00 0.00 -0.34 0.00 0.00 178.44 178.29 3i58 n ALA 14 N -2.27 2.41 -1.81 1.25 0.00 -0.52 -5.00 120.51 114.58 3i58 n ALA 14 Ca -0.02 -1.31 -0.42 0.00 0.00 0.00 0.00 53.44 51.69 3i58 n ALA 14 Cb 0.26 -0.87 -0.03 0.00 0.00 0.00 0.00 19.45 18.82 3i58 n ALA 14 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3i58 s ASP 15 N -1.00 6.46 -0.03 0.00 2.15 -0.79 -4.90 116.67 118.56 3i58 s ASP 15 Ca 0.46 2.80 0.09 0.00 0.43 0.00 0.00 52.55 56.34 3i58 s ASP 15 Cb 0.25 -2.61 -0.14 0.00 -0.30 0.00 0.00 42.92 40.11 3i58 s ASP 15 CO 0.30 -0.89 0.18 0.18 -0.17 0.00 0.00 175.17 174.77 3i58 n LEU 16 N 3.40 0.00 -0.14 -1.34 4.77 -1.26 -4.56 117.00 117.87 3i58 n LEU 16 Ca 0.13 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 56.07 3i58 n LEU 16 Cb 0.37 0.04 0.05 0.00 -2.33 0.00 0.00 43.42 41.55 3i58 n LEU 16 CO 0.63 0.04 0.86 0.00 -1.33 0.00 0.00 177.39 177.59 3i58 h ALA 17 N 0.80 0.44 -0.02 -1.18 0.00 -1.99 -1.62 119.26 115.70 3i58 h ALA 17 Ca -0.05 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3i58 h ALA 17 Cb 0.66 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3i58 h ALA 17 CO 0.00 -0.37 -0.07 1.15 0.00 0.00 0.00 179.25 179.96 3i58 h THR 18 N 0.14 1.50 -0.74 0.00 2.02 -1.98 -0.20 112.91 113.64 3i58 h THR 18 Ca 0.22 -1.58 0.12 0.00 0.77 0.00 0.00 66.41 65.94 3i58 h THR 18 Cb 0.32 2.52 -0.08 0.00 -1.74 0.00 0.00 68.15 69.17 3i58 h THR 18 CO -0.35 0.42 0.35 -0.65 0.37 0.00 0.00 175.52 175.66 3i58 h PRO 19 N -0.54 0.54 -0.34 6.66 0.11 -1.78 0.57 132.00 137.22 3i58 h PRO 19 Ca -0.00 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.94 3i58 h PRO 19 Cb 0.72 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.70 3i58 h PRO 19 CO 0.01 0.35 -0.33 0.52 -0.21 0.00 0.00 178.00 178.35 3i58 h MET 20 N 0.55 0.75 -0.81 1.05 2.86 -1.32 -2.09 114.93 115.92 3i58 h MET 20 Ca 0.39 -0.36 -0.03 0.00 -2.06 0.00 0.00 59.70 57.64 3i58 h MET 20 Cb 0.49 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 32.11 3i58 h MET 20 CO -0.33 0.98 0.39 0.00 1.06 0.00 0.00 176.91 179.00 3i58 h ALA 21 N 0.99 1.15 -0.13 6.32 0.00 0.38 0.22 119.26 128.19 3i58 h ALA 21 Ca 0.07 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3i58 h ALA 21 Cb 0.87 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3i58 h ALA 21 CO 0.08 0.64 -0.06 0.28 0.00 0.00 0.00 179.25 180.19 3i58 h VAL 22 N 1.16 1.31 -0.72 0.00 2.07 -0.83 -1.12 116.25 118.11 3i58 h VAL 22 Ca 0.28 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.73 3i58 h VAL 22 Cb 0.12 1.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.61 3i58 h VAL 22 CO -0.03 0.31 0.46 0.03 0.02 0.00 0.00 177.57 178.36 3i58 h ARG 23 N -0.07 0.96 -0.37 1.57 3.08 -1.02 0.12 114.38 118.65 3i58 h ARG 23 Ca 0.03 -0.07 -0.15 0.00 0.07 0.00 0.00 59.98 59.87 3i58 h ARG 23 Cb 0.51 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 3i58 h ARG 23 CO 0.02 0.65 -0.33 0.28 -1.07 0.00 0.00 179.97 179.52 3i58 h VAL 24 N 0.99 1.28 -0.77 2.04 2.07 -0.47 -0.65 116.25 120.73 3i58 h VAL 24 Ca 0.26 -1.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.26 3i58 h VAL 24 Cb -0.09 1.39 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 3i58 h VAL 24 CO -0.05 0.50 0.40 0.00 0.02 0.00 0.00 177.57 178.44 3i58 h ALA 25 N 0.77 0.98 -0.75 1.67 0.00 -0.48 0.11 119.26 121.57 3i58 h ALA 25 Ca 0.06 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 3i58 h ALA 25 Cb 0.92 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 3i58 h ALA 25 CO 0.08 0.51 0.32 0.00 0.00 0.00 0.00 179.25 180.17 3i58 h ALA 26 N 1.21 1.16 -0.11 0.00 0.00 -0.56 -0.55 119.26 120.41 3i58 h ALA 26 Ca 0.27 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.83 3i58 h ALA 26 Cb 0.07 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 3i58 h ALA 26 CO -0.04 0.62 -0.70 1.15 0.00 0.00 0.00 179.25 180.28 3i58 h THR 27 N 1.08 1.36 -0.00 0.00 2.02 -0.32 -2.96 112.91 114.09 3i58 h THR 27 Ca 0.25 -2.05 0.00 0.00 0.77 0.00 0.00 66.41 65.38 3i58 h THR 27 Cb 0.16 2.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.60 3i58 h THR 27 CO -0.03 0.62 -0.05 0.18 0.37 0.00 0.00 175.52 176.62 3i58 n LEU 28 N -3.87 0.40 -2.69 2.58 4.77 0.32 -4.91 117.00 113.60 3i58 n LEU 28 Ca -0.04 -0.02 -0.18 0.00 -0.03 0.00 0.00 56.01 55.74 3i58 n LEU 28 Cb 0.69 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 3i58 n LEU 28 CO 0.48 0.07 -0.14 0.54 -1.33 0.00 0.00 177.39 177.02 3i58 n ARG 29 N -0.87 -2.79 -0.25 3.23 1.74 -0.24 -4.82 116.66 112.66 3i58 n ARG 29 Ca 0.18 0.74 0.05 0.00 -0.77 0.00 0.00 57.85 58.05 3i58 n ARG 29 Cb 0.24 -5.43 0.16 0.00 -1.02 0.00 0.00 32.46 26.41 3i58 n ARG 29 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3i58 h VAL 30 N -0.42 0.38 -0.68 1.55 2.07 -1.81 -0.99 116.25 116.35 3i58 h VAL 30 Ca -0.41 -0.04 0.05 0.00 0.82 0.00 0.00 66.70 67.11 3i58 h VAL 30 Cb 1.30 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 3i58 h VAL 30 CO 0.48 0.02 0.39 0.00 0.02 0.00 0.00 177.57 178.49 3i58 h ALA 31 N 1.68 0.90 -0.28 1.67 0.00 -1.86 -0.67 119.26 120.70 3i58 h ALA 31 Ca 0.41 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.25 3i58 h ALA 31 Cb 0.72 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3i58 h ALA 31 CO -0.63 0.10 -0.15 -0.44 0.00 0.00 0.00 179.25 178.14 3i58 h ASP 32 N 0.74 0.47 -0.07 0.00 3.32 -1.50 -0.40 116.42 118.99 3i58 h ASP 32 Ca 0.29 -0.13 -0.14 0.00 0.02 0.00 0.00 57.03 57.07 3i58 h ASP 32 Cb 0.13 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3i58 h ASP 32 CO -0.16 0.65 -0.43 0.45 -1.72 0.00 0.00 179.24 178.03 3i58 h HIS 33 N 0.45 0.72 0.21 4.55 3.86 -0.64 -2.45 115.15 121.86 3i58 h HIS 33 Ca 0.08 -0.22 -0.01 0.00 -1.16 0.00 0.00 60.37 59.06 3i58 h HIS 33 Cb 0.52 -0.15 0.00 0.00 1.06 0.00 0.00 27.41 28.84 3i58 h HIS 33 CO 0.02 0.93 -0.10 0.82 0.86 0.00 0.00 177.93 180.45 3i58 h ILE 34 N 0.49 0.85 0.00 2.45 2.04 -0.64 -1.17 117.51 121.53 3i58 h ILE 34 Ca 0.04 -0.77 0.00 0.00 1.00 0.00 0.00 64.86 65.13 3i58 h ILE 34 Cb 0.95 1.28 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 3i58 h ILE 34 CO 0.09 0.16 0.00 0.00 0.00 0.00 0.00 178.15 178.40 3i58 n ALA 35 N -2.45 1.13 -0.95 1.87 0.00 -0.20 -1.32 120.51 118.58 3i58 n ALA 35 Ca -0.09 0.15 0.04 0.00 0.00 0.00 0.00 53.44 53.55 3i58 n ALA 35 Cb 0.25 -1.28 0.37 0.00 0.00 0.00 0.00 19.45 18.80 3i58 n ALA 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i58 n ALA 36 N -1.73 3.96 0.00 0.00 0.00 -0.92 -4.95 120.51 116.87 3i58 n ALA 36 Ca -0.01 -2.06 0.00 0.00 0.00 0.00 0.00 53.44 51.37 3i58 n ALA 36 Cb 0.06 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.39 3i58 n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i58 n GLY 37 N 0.35 3.47 3.51 0.00 0.00 -0.43 -5.02 105.19 107.07 3i58 n GLY 37 Ca 0.30 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.89 3i58 n GLY 37 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i58 s HIS 38 N -2.97 2.78 -0.10 1.61 3.76 -0.46 -4.84 115.29 115.07 3i58 s HIS 38 Ca 0.00 -0.09 0.01 0.00 -0.15 0.00 0.00 55.06 54.83 3i58 s HIS 38 Cb 0.00 -4.09 0.03 0.00 1.11 0.00 0.00 32.58 29.62 3i58 s HIS 38 CO 0.00 -1.39 0.94 0.54 -0.85 0.00 0.00 174.74 173.99 3i58 n ARG 39 N 7.49 2.37 -5.08 1.40 1.74 -1.26 -3.07 116.66 120.24 3i58 n ARG 39 Ca 0.01 -1.39 -0.31 0.00 -0.77 0.00 0.00 57.85 55.39 3i58 n ARG 39 Cb 0.47 -1.02 -0.15 0.00 -1.02 0.00 0.00 32.46 30.74 3i58 n ARG 39 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3i58 s THR 40 N -0.85 2.28 0.24 0.55 2.01 -1.26 0.26 115.64 118.87 3i58 s THR 40 Ca 0.02 -1.15 -0.15 0.00 0.31 0.00 0.00 61.69 60.73 3i58 s THR 40 Cb 0.01 -1.85 0.30 0.00 0.01 0.00 0.00 72.50 70.98 3i58 s THR 40 CO 0.01 0.50 1.55 0.00 -0.69 0.00 0.00 174.62 175.99 3i58 n ALA 41 N 2.15 -0.02 -0.23 7.40 0.00 -1.26 0.54 120.51 129.10 3i58 n ALA 41 Ca -0.16 1.02 -0.04 0.00 0.00 0.00 0.00 53.44 54.26 3i58 n ALA 41 Cb 0.52 -0.50 0.07 0.00 0.00 0.00 0.00 19.45 19.53 3i58 n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i58 h ALA 42 N 1.55 0.84 0.72 0.00 0.00 -1.96 0.10 119.26 120.51 3i58 h ALA 42 Ca 0.38 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 3i58 h ALA 42 Cb 0.63 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.23 3i58 h ALA 42 CO -1.00 0.15 -0.34 0.93 0.00 0.00 0.00 179.25 178.98 3i58 h GLU 43 N 0.78 -0.93 -0.55 0.00 5.08 -0.30 -1.52 114.58 117.14 3i58 h GLU 43 Ca 0.26 0.06 0.09 0.00 -1.00 0.00 0.00 59.36 58.78 3i58 h GLU 43 Cb 0.03 0.21 -0.07 0.00 0.50 0.00 0.00 28.75 29.42 3i58 h GLU 43 CO -0.11 -0.61 0.15 0.82 -1.00 0.00 0.00 179.01 178.27 3i58 h ILE 44 N -1.22 0.73 -0.01 3.13 2.04 -0.20 -0.13 117.51 121.86 3i58 h ILE 44 Ca -0.10 -0.11 0.02 0.00 1.00 0.00 0.00 64.86 65.67 3i58 h ILE 44 Cb 0.75 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.21 3i58 h ILE 44 CO 0.16 0.06 -0.10 0.00 0.00 0.00 0.00 178.15 178.27 3i58 h ALA 45 N 1.41 -0.10 -0.91 1.87 0.00 -0.82 -1.03 119.26 119.68 3i58 h ALA 45 Ca 0.28 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.22 3i58 h ALA 45 Cb 0.36 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 3i58 h ALA 45 CO -0.32 -0.58 0.60 1.03 0.00 0.00 0.00 179.25 179.97 3i58 h SER 46 N -0.16 1.01 0.97 0.00 0.87 -0.61 0.97 113.55 116.60 3i58 h SER 46 Ca 0.04 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.54 3i58 h SER 46 Cb 0.21 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.93 3i58 h SER 46 CO -0.11 0.71 -0.19 0.00 -0.53 0.00 0.00 176.83 176.72 3i58 h ALA 47 N 1.45 1.01 -0.00 6.23 0.00 -0.63 -3.18 119.26 124.14 3i58 h ALA 47 Ca 0.35 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3i58 h ALA 47 Cb -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3i58 h ALA 47 CO -0.09 0.23 -0.32 0.00 0.00 0.00 0.00 179.25 179.07 3i58 n ALA 48 N -2.20 3.04 -2.76 0.00 0.00 -0.43 -5.02 120.51 113.15 3i58 n ALA 48 Ca 0.00 -0.39 -0.07 0.00 0.00 0.00 0.00 53.44 52.98 3i58 n ALA 48 Cb 0.42 -0.37 0.03 0.00 0.00 0.00 0.00 19.45 19.52 3i58 n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i58 n GLY 49 N 1.04 0.39 3.82 0.00 0.00 0.32 -5.03 105.19 105.73 3i58 n GLY 49 Ca 0.03 -0.35 -0.25 0.00 0.00 0.00 0.00 46.02 45.45 3i58 n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i58 s ALA 50 N -3.11 4.02 -0.21 4.61 0.00 -0.29 -5.02 121.76 121.76 3i58 s ALA 50 Ca 0.14 -1.60 -0.26 0.00 0.00 0.00 0.00 51.96 50.24 3i58 s ALA 50 Cb -0.06 -0.57 -0.00 0.00 0.00 0.00 0.00 23.12 22.48 3i58 s ALA 50 CO 0.24 -0.27 0.90 -1.58 0.00 0.00 0.00 175.76 175.06 3i58 s HIS 51 N -2.67 3.36 0.16 0.00 5.65 -1.26 -4.57 115.29 115.96 3i58 s HIS 51 Ca 0.36 1.30 -0.27 0.00 0.25 0.00 0.00 55.06 56.70 3i58 s HIS 51 Cb 0.00 -3.11 0.01 0.00 -1.18 0.00 0.00 32.58 28.30 3i58 s HIS 51 CO 0.21 -0.36 1.57 0.00 -0.65 0.00 0.00 174.74 175.50 3i58 h ALA 52 N 7.48 -0.42 -0.19 1.58 0.00 -1.92 0.15 119.26 125.94 3i58 h ALA 52 Ca -0.24 0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.78 3i58 h ALA 52 Cb 1.10 0.98 -0.03 0.00 0.00 0.00 0.00 17.79 19.84 3i58 h ALA 52 CO 0.89 -0.87 0.02 -0.44 0.00 0.00 0.00 179.25 178.85 3i58 h ASP 53 N -0.27 -0.02 -0.29 0.00 3.32 -1.93 -0.45 116.42 116.78 3i58 h ASP 53 Ca 0.16 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 3i58 h ASP 53 Cb 0.57 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.16 3i58 h ASP 53 CO -0.66 0.02 0.15 0.28 -1.72 0.00 0.00 179.24 177.31 3i58 h SER 54 N 0.09 0.37 -0.53 6.45 0.02 -1.86 -1.70 113.55 116.39 3i58 h SER 54 Ca 0.09 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3i58 h SER 54 Cb 0.10 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 3i58 h SER 54 CO -0.13 0.37 0.34 0.25 -1.14 0.00 0.00 176.83 176.51 3i58 h LEU 55 N 0.34 0.62 -0.81 5.07 7.12 -0.55 -0.96 115.31 126.14 3i58 h LEU 55 Ca 0.10 -0.04 0.07 0.00 0.13 0.00 0.00 57.88 58.14 3i58 h LEU 55 Cb 0.09 -0.16 -0.06 0.00 -0.53 0.00 0.00 40.66 40.00 3i58 h LEU 55 CO -0.01 0.47 0.48 -0.78 -0.13 0.00 0.00 178.44 178.47 3i58 h ASP 56 N 0.71 0.73 -0.13 1.25 3.58 -0.83 0.70 116.42 122.42 3i58 h ASP 56 Ca 0.19 0.03 -0.06 0.00 0.42 0.00 0.00 57.03 57.61 3i58 h ASP 56 Cb -0.05 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 40.87 3i58 h ASP 56 CO -0.04 0.45 -0.09 0.03 -2.88 0.00 0.00 179.24 176.71 3i58 h ARG 57 N 0.85 0.46 -0.19 0.28 3.08 -0.50 -1.04 114.38 117.33 3i58 h ARG 57 Ca 0.36 -0.12 -0.07 0.00 0.07 0.00 0.00 59.98 60.23 3i58 h ARG 57 Cb 0.23 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.22 3i58 h ARG 57 CO -0.20 0.56 -0.14 1.25 -1.07 0.00 0.00 179.97 180.38 3i58 h LEU 58 N 0.43 0.45 -0.51 3.04 5.85 0.14 -2.87 115.31 121.84 3i58 h LEU 58 Ca 0.09 -0.44 -0.02 0.00 0.84 0.00 0.00 57.88 58.34 3i58 h LEU 58 Cb 0.43 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3i58 h LEU 58 CO 0.02 0.80 0.25 -0.07 -0.34 0.00 0.00 178.44 179.10 3i58 h LEU 59 N 0.11 0.66 -0.97 2.25 3.38 -0.64 -1.28 115.31 118.82 3i58 h LEU 59 Ca 0.04 -0.12 0.07 0.00 0.09 0.00 0.00 57.88 57.96 3i58 h LEU 59 Cb 0.65 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 41.16 3i58 h LEU 59 CO 0.04 0.59 0.62 0.03 0.09 0.00 0.00 178.44 179.81 3i58 h ARG 60 N 0.67 1.08 -0.26 1.13 3.08 -1.21 0.25 114.38 119.12 3i58 h ARG 60 Ca 0.18 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.07 3i58 h ARG 60 Cb 0.10 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.89 3i58 h ARG 60 CO -0.02 0.72 -0.22 1.25 -1.07 0.00 0.00 179.97 180.62 3i58 h HIS 61 N 1.11 0.53 0.00 3.04 2.76 -1.22 -2.59 115.15 118.79 3i58 h HIS 61 Ca 0.43 -0.11 -0.05 0.00 -2.20 0.00 0.00 60.37 58.44 3i58 h HIS 61 Cb 0.20 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.02 3i58 h HIS 61 CO -0.01 0.67 -0.24 -0.07 -1.30 0.00 0.00 177.93 176.99 3i58 h LEU 62 N 0.43 0.00 -0.37 0.26 3.38 0.23 -2.44 115.31 116.80 3i58 h LEU 62 Ca 0.07 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.86 3i58 h LEU 62 Cb 0.63 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.36 3i58 h LEU 62 CO 0.04 0.24 -0.82 -0.37 0.09 0.00 0.00 178.44 177.62 3i58 h VAL 63 N 0.00 1.52 -0.54 1.22 -1.51 -0.38 -1.62 116.25 114.94 3i58 h VAL 63 Ca -0.00 -2.62 -0.06 0.00 -1.23 0.00 0.00 66.70 62.78 3i58 h VAL 63 Cb 1.06 2.44 -0.02 0.00 -2.13 0.00 0.00 31.29 32.63 3i58 h VAL 63 CO 0.03 0.76 0.09 0.00 -1.23 0.00 0.00 177.57 177.22 3i58 h ALA 64 N 1.10 1.14 0.00 5.19 0.00 -1.30 -2.31 119.26 123.08 3i58 h ALA 64 Ca -0.02 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 3i58 h ALA 64 Cb 1.43 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3i58 h ALA 64 CO 0.12 0.57 -0.48 0.28 0.00 0.00 0.00 179.25 179.74 3i58 h VAL 65 N 0.81 1.28 0.00 0.00 2.07 -1.24 -3.47 116.25 115.71 3i58 h VAL 65 Ca 0.17 -1.67 0.00 0.00 0.82 0.00 0.00 66.70 66.02 3i58 h VAL 65 Cb 0.36 1.92 0.00 0.00 -1.52 0.00 0.00 31.29 32.05 3i58 h VAL 65 CO 0.01 0.47 0.00 0.61 0.02 0.00 0.00 177.57 178.68 3i58 n GLY 66 N -0.06 1.71 0.07 2.17 0.00 -0.87 -5.03 105.19 103.19 3i58 n GLY 66 Ca -0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 3i58 n GLY 66 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i58 n LEU 67 N 0.00 0.00 -4.52 0.99 4.77 -0.65 -4.37 117.00 113.22 3i58 n LEU 67 Ca 0.00 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.73 3i58 n LEU 67 Cb 0.00 0.36 -0.09 0.00 -2.33 0.00 0.00 43.42 41.36 3i58 n LEU 67 CO 0.00 0.36 -0.23 -0.36 -1.33 0.00 0.00 177.39 175.83 3i58 s PHE 68 N -2.47 1.88 0.08 -1.77 0.08 -1.20 -2.86 117.98 111.72 3i58 s PHE 68 Ca -0.08 -1.10 0.01 0.00 0.12 0.00 0.00 56.93 55.88 3i58 s PHE 68 Cb 0.05 -1.28 -0.04 0.00 -0.57 0.00 0.00 43.02 41.19 3i58 s PHE 68 CO 0.67 -0.10 -0.06 0.95 -0.10 0.00 0.00 175.22 176.59 3i58 s THR 69 N -3.19 0.58 -0.17 0.64 -4.23 0.19 -4.39 115.64 105.06 3i58 s THR 69 Ca 0.27 -1.79 -0.10 0.00 -1.18 0.00 0.00 61.69 58.89 3i58 s THR 69 Cb 0.05 -1.50 0.06 0.00 1.34 0.00 0.00 72.50 72.45 3i58 s THR 69 CO 0.14 -0.83 0.42 -0.60 -0.54 0.00 0.00 174.62 173.20 3i58 s ARG 70 N -3.55 0.41 0.52 3.99 3.52 -1.26 -1.12 118.95 121.45 3i58 s ARG 70 Ca 0.08 0.78 0.02 0.00 -0.13 0.00 0.00 55.73 56.48 3i58 s ARG 70 Cb 0.04 0.00 0.02 0.00 -1.56 0.00 0.00 34.95 33.45 3i58 s ARG 70 CO -0.05 -0.15 0.73 0.16 -0.81 0.00 0.00 175.30 175.18 3i58 s ASP 71 N 1.30 5.41 0.54 -2.12 1.47 -0.85 -4.93 116.67 117.50 3i58 s ASP 71 Ca -0.09 -0.01 0.37 0.00 1.18 0.00 0.00 52.55 54.00 3i58 s ASP 71 Cb -0.08 -0.96 1.56 0.00 -0.34 0.00 0.00 42.92 43.10 3i58 s ASP 71 CO -0.12 -1.02 1.80 1.23 0.68 0.00 0.00 175.17 177.73 3i58 h GLY 72 N 0.19 0.01 -0.28 2.12 0.00 -2.02 0.48 103.07 103.58 3i58 h GLY 72 Ca -0.43 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 3i58 h GLY 72 CO 0.52 -0.00 0.00 -1.06 0.00 0.00 0.00 176.54 176.00 3i58 n GLN 73 N -4.17 1.50 -0.86 4.80 3.00 -1.26 -4.92 117.38 115.47 3i58 n GLN 73 Ca 0.26 -0.75 0.00 0.00 -0.01 0.00 0.00 57.00 56.51 3i58 n GLN 73 Cb 1.28 -1.41 0.00 0.00 0.00 0.00 0.00 30.24 30.11 3i58 n GLN 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3i58 n GLY 74 N 1.07 0.49 3.67 1.08 0.00 0.17 -5.02 105.19 106.64 3i58 n GLY 74 Ca 0.17 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 45.08 3i58 n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i58 s VAL 75 N -2.00 4.87 0.20 1.61 1.01 -1.25 -4.37 120.40 120.47 3i58 s VAL 75 Ca 0.00 1.63 -0.10 0.00 0.00 0.00 0.00 61.98 63.51 3i58 s VAL 75 Cb 0.00 -4.14 -0.07 0.00 0.00 0.00 0.00 36.38 32.17 3i58 s VAL 75 CO 0.00 0.00 0.53 -0.31 0.00 0.00 0.00 175.10 175.33 3i58 s TYR 76 N 2.29 3.47 -0.02 5.22 1.51 0.74 -2.01 117.35 128.55 3i58 s TYR 76 Ca 0.38 0.89 -0.11 0.00 -1.01 0.00 0.00 57.07 57.22 3i58 s TYR 76 Cb -0.16 -2.27 0.02 0.00 -0.11 0.00 0.00 41.96 39.44 3i58 s TYR 76 CO 0.11 0.32 0.24 0.20 -1.11 0.00 0.00 175.55 175.32 3i58 s GLY 77 N -2.19 -0.09 1.16 0.71 0.00 -0.28 -4.71 107.32 101.93 3i58 s GLY 77 Ca 0.44 0.22 -0.19 0.00 0.00 0.00 0.00 44.72 45.19 3i58 s GLY 77 CO 0.21 0.05 1.19 1.08 0.00 0.00 0.00 173.10 175.62 3i58 s LEU 78 N -1.14 1.21 0.28 0.66 1.02 -1.26 0.54 118.68 119.99 3i58 s LEU 78 Ca -0.12 0.41 0.03 0.00 0.02 0.00 0.00 54.13 54.47 3i58 s LEU 78 Cb -0.06 -2.15 -0.04 0.00 0.02 0.00 0.00 46.19 43.96 3i58 s LEU 78 CO 0.03 -3.88 0.17 0.42 0.02 0.00 0.00 176.35 173.11 3i58 s THR 79 N -3.30 0.19 0.54 5.49 -4.23 -1.13 -4.53 115.64 108.67 3i58 s THR 79 Ca 0.73 -2.00 0.34 0.00 -1.18 0.00 0.00 61.69 59.58 3i58 s THR 79 Cb -0.06 -2.51 0.51 0.00 1.34 0.00 0.00 72.50 71.77 3i58 s THR 79 CO 0.55 0.00 1.85 -0.08 -0.54 0.00 0.00 174.62 176.40 3i58 h GLU 80 N 2.32 0.00 0.04 3.99 4.22 -1.90 -1.12 114.58 122.13 3i58 h GLU 80 Ca -0.33 0.00 -0.38 0.00 0.08 0.00 0.00 59.36 58.73 3i58 h GLU 80 Cb 1.25 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.44 3i58 h GLU 80 CO 0.50 0.00 -2.32 1.19 -2.18 0.00 0.00 179.01 176.20 3i58 n PHE 81 N -4.20 0.41 0.44 0.92 3.72 -1.26 -4.19 117.46 113.29 3i58 n PHE 81 Ca 0.21 0.09 0.05 0.00 -0.05 0.00 0.00 57.45 57.75 3i58 n PHE 81 Cb 1.07 -1.05 0.24 0.00 -0.94 0.00 0.00 39.48 38.80 3i58 n PHE 81 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3i58 n GLY 82 N 2.16 -0.70 0.21 1.37 0.00 -0.65 -2.18 105.19 105.39 3i58 n GLY 82 Ca -0.41 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3i58 n GLY 82 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3i58 h GLU 83 N 0.00 0.21 0.00 1.61 4.57 -1.41 -2.58 114.58 116.98 3i58 h GLU 83 Ca 0.00 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.11 3i58 h GLU 83 Cb 0.12 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 3i58 h GLU 83 CO 0.00 0.48 0.00 1.04 -1.18 0.00 0.00 179.01 179.35 3i58 n GLN 84 N -4.14 0.40 0.05 1.92 6.02 -0.93 -2.31 117.38 118.39 3i58 n GLN 84 Ca -0.01 0.02 0.12 0.00 -0.01 0.00 0.00 57.00 57.11 3i58 n GLN 84 Cb 0.38 -1.50 0.09 0.00 1.02 0.00 0.00 30.24 30.22 3i58 n GLN 84 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3i58 n LEU 85 N -1.04 0.66 -4.77 1.08 4.77 -0.97 -4.12 117.00 112.62 3i58 n LEU 85 Ca 0.10 0.13 -0.38 0.00 -0.03 0.00 0.00 56.01 55.83 3i58 n LEU 85 Cb 0.05 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 3i58 n LEU 85 CO 0.08 -0.03 0.80 -0.13 -1.33 0.00 0.00 177.39 176.78 3i58 s ARG 86 N -3.20 4.12 0.19 3.23 0.52 -0.98 -4.72 118.95 118.12 3i58 s ARG 86 Ca 0.04 1.71 -0.08 0.00 -0.52 0.00 0.00 55.73 56.88 3i58 s ARG 86 Cb 0.13 -2.65 0.10 0.00 0.52 0.00 0.00 34.95 33.06 3i58 s ARG 86 CO 0.76 -0.23 1.69 0.22 0.02 0.00 0.00 175.30 177.77 3i58 h ASP 87 N 2.64 1.07 0.26 0.23 1.82 -1.90 -2.74 116.42 117.81 3i58 h ASP 87 Ca -0.48 -0.26 0.00 0.00 -0.39 0.00 0.00 57.03 55.90 3i58 h ASP 87 Cb 1.23 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 40.95 3i58 h ASP 87 CO 0.63 1.06 0.00 -0.90 -1.61 0.00 0.00 179.24 178.42 3i58 n ASP 88 N -4.21 0.00 -4.75 2.28 3.85 -1.26 -4.78 116.55 107.68 3i58 n ASP 88 Ca 0.04 0.22 -0.38 0.00 -0.71 0.00 0.00 54.79 53.96 3i58 n ASP 88 Cb 0.30 -0.34 0.04 0.00 -1.35 0.00 0.00 41.12 39.76 3i58 n ASP 88 CO 0.00 0.00 0.00 -2.28 -1.01 0.00 0.00 177.20 173.91 3i58 s HIS 89 N -2.69 2.33 0.15 2.11 2.46 -1.03 -4.93 115.29 113.69 3i58 s HIS 89 Ca 0.10 1.40 -0.17 0.00 0.47 0.00 0.00 55.06 56.85 3i58 s HIS 89 Cb 0.08 -3.75 0.03 0.00 -0.13 0.00 0.00 32.58 28.81 3i58 s HIS 89 CO 0.18 -2.76 1.74 0.00 -2.47 0.00 0.00 174.74 171.44 3i58 h ALA 90 N 1.47 0.34 -0.09 1.58 0.00 -1.90 -2.81 119.26 117.84 3i58 h ALA 90 Ca -0.51 0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.48 3i58 h ALA 90 Cb 1.30 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 3i58 h ALA 90 CO 0.57 -0.33 0.18 0.00 0.00 0.00 0.00 179.25 179.68 3i58 h ALA 91 N 1.22 1.50 -2.55 0.00 0.00 -1.95 -3.46 119.26 114.03 3i58 h ALA 91 Ca 0.14 -0.00 -0.42 0.00 0.00 0.00 0.00 54.91 54.63 3i58 h ALA 91 Cb 0.14 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 3i58 h ALA 91 CO -0.17 -0.23 -0.50 0.41 0.00 0.00 0.00 179.25 178.75 3i58 n GLY 92 N -1.28 0.04 0.21 0.00 0.00 -1.06 -4.92 105.19 98.18 3i58 n GLY 92 Ca -0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 3i58 n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i58 h LYS 93 N 0.00 0.69 -0.77 1.61 1.57 -1.86 -3.35 116.57 114.46 3i58 h LYS 93 Ca -0.48 -0.38 0.16 0.00 -1.87 0.00 0.00 60.65 58.08 3i58 h LYS 93 Cb 1.36 0.02 -0.14 0.00 0.08 0.00 0.00 32.23 33.55 3i58 h LYS 93 CO 0.59 0.99 -0.15 -0.09 -0.57 0.00 0.00 179.45 180.22 3i58 h ARG 94 N 0.42 0.02 -0.16 3.15 2.43 -1.85 0.05 114.38 118.44 3i58 h ARG 94 Ca 0.04 -0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.25 3i58 h ARG 94 Cb 0.88 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.42 3i58 h ARG 94 CO 0.07 0.01 0.17 1.57 -1.51 0.00 0.00 179.97 180.29 3i58 h LYS 95 N 0.02 0.00 0.00 0.20 2.10 -1.94 0.10 116.57 117.05 3i58 h LYS 95 Ca 0.38 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 58.96 3i58 h LYS 95 Cb 0.61 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.93 3i58 h LYS 95 CO -0.77 0.00 -0.34 -1.49 -2.00 0.00 0.00 179.45 174.85 3i58 h TRP 96 N 0.00 0.00 0.00 0.07 4.06 -1.19 -3.21 115.95 115.68 3i58 h TRP 96 Ca 0.08 0.00 -0.05 0.00 2.06 0.00 0.00 58.89 60.97 3i58 h TRP 96 Cb 0.42 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.57 3i58 h TRP 96 CO 0.00 0.34 -1.40 1.28 -3.56 0.00 0.00 178.44 175.10 3i58 n LEU 97 N -3.37 0.60 -4.66 -4.49 4.77 -0.05 -3.24 117.00 106.57 3i58 n LEU 97 Ca 0.01 0.24 -0.51 0.00 -0.03 0.00 0.00 56.01 55.72 3i58 n LEU 97 Cb 0.54 0.01 -0.06 0.00 -2.33 0.00 0.00 43.42 41.58 3i58 n LEU 97 CO 0.36 -0.04 1.51 -0.67 -1.33 0.00 0.00 177.39 177.22 3i58 n ASP 98 N -2.62 3.03 0.00 -1.43 -0.08 -0.76 -4.67 116.55 110.02 3i58 n ASP 98 Ca -0.04 0.90 0.00 0.00 -1.51 0.00 0.00 54.79 54.13 3i58 n ASP 98 Cb 0.64 -1.31 0.00 0.00 2.34 0.00 0.00 41.12 42.79 3i58 n ASP 98 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 3i58 n MET 99 N 6.65 0.00 -0.04 -0.67 2.81 -1.26 -1.34 117.12 123.27 3i58 n MET 99 Ca 0.26 0.40 -0.10 0.00 -1.81 0.00 0.00 57.70 56.45 3i58 n MET 99 Cb 0.25 -1.51 -0.14 0.00 -0.71 0.00 0.00 33.22 31.11 3i58 n MET 99 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3i58 n ASN 100 N -1.39 0.76 -4.68 7.83 3.02 -1.26 -3.88 115.26 115.66 3i58 n ASN 100 Ca 0.00 0.31 -0.30 0.00 -0.03 0.00 0.00 54.58 54.56 3i58 n ASN 100 Cb 0.01 0.12 0.16 0.00 -0.61 0.00 0.00 39.78 39.45 3i58 n ASN 100 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3i58 s SER 101 N -6.01 3.04 0.35 6.41 1.04 -0.45 -4.83 113.70 113.24 3i58 s SER 101 Ca -0.07 1.53 0.09 0.00 0.48 0.00 0.00 55.95 57.98 3i58 s SER 101 Cb 0.07 -2.20 0.64 0.00 0.10 0.00 0.00 66.02 64.64 3i58 s SER 101 CO 0.82 -2.92 1.82 0.00 0.98 0.00 0.00 173.24 173.94 3i58 h ALA 102 N -1.74 1.33 0.00 5.32 0.00 -1.85 -2.10 119.26 120.22 3i58 h ALA 102 Ca -0.51 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 53.98 3i58 h ALA 102 Cb 1.29 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 3i58 h ALA 102 CO 0.53 0.46 -1.02 0.28 0.00 0.00 0.00 179.25 179.50 3i58 h VAL 103 N 0.19 0.49 0.00 0.00 2.07 -1.88 -1.16 116.25 115.97 3i58 h VAL 103 Ca 0.03 -1.84 -0.12 0.00 0.82 0.00 0.00 66.70 65.59 3i58 h VAL 103 Cb 0.59 2.05 -0.02 0.00 -1.52 0.00 0.00 31.29 32.39 3i58 h VAL 103 CO 0.04 0.28 -0.57 1.23 0.02 0.00 0.00 177.57 178.57 3i58 h GLY 104 N 3.71 0.00 0.67 2.17 0.00 -1.51 -2.35 103.07 105.77 3i58 h GLY 104 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.96 3i58 h GLY 104 CO 0.04 0.00 -1.41 -0.09 0.00 0.00 0.00 176.54 175.09 3i58 h ARG 105 N 0.00 0.29 -0.75 4.80 2.43 -1.44 -3.36 114.38 116.35 3i58 h ARG 105 Ca -0.01 -0.50 -0.02 0.00 -0.81 0.00 0.00 59.98 58.64 3i58 h ARG 105 Cb 1.33 0.19 -0.03 0.00 -0.42 0.00 0.00 29.97 31.03 3i58 h ARG 105 CO 0.07 1.24 0.39 0.78 -1.51 0.00 0.00 179.97 180.94 3i58 h GLY 106 N 0.13 1.15 1.33 2.80 0.00 -1.23 -2.84 103.07 104.40 3i58 h GLY 106 Ca -0.29 -0.55 0.06 0.00 0.00 0.00 0.00 47.33 46.56 3i58 h GLY 106 CO 0.10 0.52 0.30 -0.55 0.00 0.00 0.00 176.54 176.91 3i58 h ASP 107 N 1.05 0.30 0.15 0.19 5.19 -1.59 0.23 116.42 121.95 3i58 h ASP 107 Ca 0.26 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.67 3i58 h ASP 107 Cb 0.08 -0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.53 3i58 h ASP 107 CO -0.04 0.19 0.00 0.18 -3.12 0.00 0.00 179.24 176.46 3i58 n LEU 108 N -4.47 0.15 0.16 1.55 4.77 -1.07 -0.45 117.00 117.64 3i58 n LEU 108 Ca 0.06 0.56 0.13 0.00 -0.03 0.00 0.00 56.01 56.73 3i58 n LEU 108 Cb 0.27 -0.57 0.55 0.00 -2.33 0.00 0.00 43.42 41.34 3i58 n LEU 108 CO 0.35 -0.54 0.88 1.23 -1.33 0.00 0.00 177.39 177.98 3i58 h GLY 109 N 0.66 0.00 2.00 -0.72 0.00 -0.66 -2.76 103.07 101.59 3i58 h GLY 109 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3i58 h GLY 109 CO 0.00 0.00 -0.03 0.74 0.00 0.00 0.00 176.54 177.25 3i58 h PHE 110 N 0.00 0.00 0.00 5.60 -1.00 -0.93 -1.45 116.94 119.15 3i58 h PHE 110 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3i58 h PHE 110 Cb 0.33 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.89 3i58 h PHE 110 CO 0.00 0.03 0.00 1.33 -1.61 0.00 0.00 178.31 178.06 3i58 n VAL 111 N -3.65 1.54 -0.94 -0.55 0.24 -1.04 -0.23 118.33 113.70 3i58 n VAL 111 Ca -0.03 0.38 0.09 0.00 -2.04 0.00 0.00 64.34 62.74 3i58 n VAL 111 Cb 0.12 -1.34 0.22 0.00 -1.47 0.00 0.00 33.84 31.37 3i58 n VAL 111 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3i58 n GLU 112 N -1.42 2.52 -0.28 7.34 -0.58 -0.55 -4.73 120.64 122.94 3i58 n GLU 112 Ca 0.01 -2.70 0.09 0.00 -0.42 0.00 0.00 57.16 54.14 3i58 n GLU 112 Cb 0.03 -1.70 0.24 0.00 -0.57 0.00 0.00 31.44 29.43 3i58 n GLU 112 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 3i58 h LEU 113 N 1.32 0.23 -0.85 -4.62 6.46 -0.73 -0.30 115.31 116.82 3i58 h LEU 113 Ca 0.00 0.14 0.21 0.00 -0.12 0.00 0.00 57.88 58.11 3i58 h LEU 113 Cb 1.27 0.14 -0.13 0.00 -0.73 0.00 0.00 40.66 41.21 3i58 h LEU 113 CO 0.15 0.02 0.26 0.00 -0.62 0.00 0.00 178.44 178.25 3i58 h ALA 114 N 1.64 1.25 -0.92 1.25 0.00 -1.84 0.37 119.26 120.99 3i58 h ALA 114 Ca 0.48 0.20 0.06 0.00 0.00 0.00 0.00 54.91 55.64 3i58 h ALA 114 Cb 0.84 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.83 3i58 h ALA 114 CO -0.49 -0.41 0.60 1.25 0.00 0.00 0.00 179.25 180.20 3i58 h HIS 115 N 0.27 1.09 -0.16 0.00 -0.00 -1.43 -0.35 115.15 114.57 3i58 h HIS 115 Ca 0.53 0.03 -0.20 0.00 -0.00 0.00 0.00 60.37 60.73 3i58 h HIS 115 Cb 1.01 -0.36 0.00 0.00 -0.00 0.00 0.00 27.41 28.06 3i58 h HIS 115 CO -0.23 0.59 -0.69 0.77 -0.00 0.00 0.00 177.93 178.37 3i58 h SER 116 N 1.09 0.79 0.32 3.26 0.02 -0.36 -1.48 113.55 117.19 3i58 h SER 116 Ca 0.39 -0.48 -0.11 0.00 -0.84 0.00 0.00 61.79 60.75 3i58 h SER 116 Cb 0.14 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3i58 h SER 116 CO -0.14 1.26 -0.45 0.40 -1.14 0.00 0.00 176.83 176.76 3i58 h ILE 117 N 0.48 1.32 0.18 3.27 1.08 -0.55 0.30 117.51 123.61 3i58 h ILE 117 Ca -0.03 -1.59 -0.28 0.00 -0.39 0.00 0.00 64.86 62.58 3i58 h ILE 117 Cb 1.29 1.77 0.03 0.00 -3.07 0.00 0.00 36.82 36.84 3i58 h ILE 117 CO 0.14 0.47 -1.21 0.03 -0.69 0.00 0.00 178.15 176.88 3i58 h ARG 118 N 0.13 0.50 0.00 2.37 3.08 -1.05 -3.40 114.38 116.02 3i58 h ARG 118 Ca 0.01 -0.78 0.00 0.00 0.07 0.00 0.00 59.98 59.28 3i58 h ARG 118 Cb 0.84 0.28 0.00 0.00 0.08 0.00 0.00 29.97 31.17 3i58 h ARG 118 CO 0.07 1.36 -0.83 0.25 -1.07 0.00 0.00 179.97 179.75 3i58 n THR 119 N -3.87 0.00 -0.48 2.04 -2.24 -0.56 -4.98 114.28 104.19 3i58 n THR 119 Ca -0.15 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 3i58 n THR 119 Cb 0.99 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 70.03 3i58 n THR 119 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i58 n GLY 120 N 1.40 1.90 3.91 3.38 0.00 0.11 -5.00 105.19 110.88 3i58 n GLY 120 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 3i58 n GLY 120 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i58 s GLN 121 N -0.03 3.54 0.50 1.61 -1.52 -1.26 -4.86 119.66 117.66 3i58 s GLN 121 Ca 0.00 0.17 -0.21 0.00 -1.95 0.00 0.00 55.36 53.36 3i58 s GLN 121 Cb 0.00 -2.40 -0.06 0.00 -0.22 0.00 0.00 33.01 30.33 3i58 s GLN 121 CO 0.00 -0.17 1.18 -1.25 -0.25 0.00 0.00 175.29 174.80 3i58 s PRO 122 N -4.67 3.51 -0.02 2.91 0.04 -1.26 -3.94 135.00 131.56 3i58 s PRO 122 Ca 0.47 1.78 0.12 0.00 0.04 0.00 0.00 61.00 63.41 3i58 s PRO 122 Cb -0.10 -2.24 -0.23 0.00 0.04 0.00 0.00 34.50 31.97 3i58 s PRO 122 CO 0.44 -0.76 0.74 0.00 0.04 0.00 0.00 177.00 177.46 3i58 h ALA 123 N 1.64 0.72 -0.78 8.56 0.00 -1.06 -3.39 119.26 124.95 3i58 h ALA 123 Ca -0.50 -1.40 0.17 0.00 0.00 0.00 0.00 54.91 53.18 3i58 h ALA 123 Cb 1.26 0.41 -0.14 0.00 0.00 0.00 0.00 17.79 19.31 3i58 h ALA 123 CO 0.58 1.54 -0.13 -0.92 0.00 0.00 0.00 179.25 180.33 3i58 h TYR 124 N 0.00 -0.29 -0.66 0.00 3.20 -1.06 -0.40 116.97 117.76 3i58 h TYR 124 Ca -0.25 0.07 0.03 0.00 3.14 0.00 0.00 58.73 61.72 3i58 h TYR 124 Cb 1.98 0.25 -0.04 0.00 1.54 0.00 0.00 36.73 40.46 3i58 h TYR 124 CO 0.00 -0.31 0.41 -1.35 -1.64 0.00 0.00 178.16 175.26 3i58 h PRO 125 N 0.03 0.78 -0.83 1.82 0.11 -1.75 0.14 132.00 132.30 3i58 h PRO 125 Ca 0.40 -0.05 0.15 0.00 0.11 0.00 0.00 66.00 66.61 3i58 h PRO 125 Cb 0.65 -0.18 -0.10 0.00 0.11 0.00 0.00 31.00 31.49 3i58 h PRO 125 CO -0.77 0.51 0.39 0.28 -0.21 0.00 0.00 178.00 178.21 3i58 h VAL 126 N 0.80 0.68 0.19 3.15 2.07 -1.30 0.94 116.25 122.78 3i58 h VAL 126 Ca 0.27 -0.19 -0.31 0.00 0.82 0.00 0.00 66.70 67.29 3i58 h VAL 126 Cb 0.02 0.08 0.02 0.00 -1.52 0.00 0.00 31.29 29.90 3i58 h VAL 126 CO -0.11 0.10 -1.36 -0.09 0.02 0.00 0.00 177.57 176.13 3i58 h ARG 127 N 0.55 0.40 -0.27 1.57 2.43 -1.19 -3.39 114.38 114.48 3i58 h ARG 127 Ca 0.46 -0.69 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 3i58 h ARG 127 Cb 0.69 0.26 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 3i58 h ARG 127 CO -0.39 1.33 0.00 0.66 -1.51 0.00 0.00 179.97 180.06 3i58 n TYR 128 N -3.62 0.36 -1.15 2.20 4.02 -0.01 -4.99 117.16 113.96 3i58 n TYR 128 Ca -0.13 -0.42 -0.05 0.00 -0.01 0.00 0.00 57.90 57.29 3i58 n TYR 128 Cb 1.06 -0.02 -0.02 0.00 -0.02 0.00 0.00 39.34 40.34 3i58 n TYR 128 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i58 n GLY 129 N 0.47 0.56 3.50 2.72 0.00 0.32 -4.92 105.19 107.84 3i58 n GLY 129 Ca 0.10 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.99 3i58 n GLY 129 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3i58 s THR 130 N -1.58 0.00 0.98 2.61 -1.32 -1.25 -5.04 115.64 110.04 3i58 s THR 130 Ca 0.00 -0.01 -0.12 0.00 -1.21 0.00 0.00 61.69 60.35 3i58 s THR 130 Cb 0.00 -1.01 0.18 0.00 -1.51 0.00 0.00 72.50 70.15 3i58 s THR 130 CO 0.00 0.00 1.09 -0.94 -2.21 0.00 0.00 174.62 172.56 3i58 s SER 131 N -2.52 2.73 0.07 8.08 1.04 -1.26 -3.89 113.70 117.95 3i58 s SER 131 Ca 0.05 1.38 -0.25 0.00 0.48 0.00 0.00 55.95 57.61 3i58 s SER 131 Cb -0.01 -2.06 -0.16 0.00 0.10 0.00 0.00 66.02 63.89 3i58 s SER 131 CO -0.09 -3.09 1.63 0.15 0.98 0.00 0.00 173.24 172.82 3i58 h PHE 132 N -1.86 -0.13 -0.60 5.02 3.57 -1.95 -0.74 116.94 120.26 3i58 h PHE 132 Ca -0.53 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 60.91 3i58 h PHE 132 Cb 1.31 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 40.07 3i58 h PHE 132 CO 0.35 0.00 0.15 -1.49 -2.23 0.00 0.00 178.31 175.08 3i58 h TRP 133 N -0.23 1.00 -0.75 0.41 -0.00 -1.94 -1.05 115.95 113.39 3i58 h TRP 133 Ca -0.01 -0.12 0.04 0.00 -0.00 0.00 0.00 58.89 58.80 3i58 h TRP 133 Cb 0.19 -0.28 -0.05 0.00 -0.00 0.00 0.00 29.16 29.01 3i58 h TRP 133 CO -0.04 0.84 0.46 0.93 -0.00 0.00 0.00 178.44 180.63 3i58 h GLU 134 N 0.86 0.85 -0.08 0.49 5.08 -1.90 0.66 114.58 120.54 3i58 h GLU 134 Ca 0.19 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3i58 h GLU 134 Cb 0.35 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 3i58 h GLU 134 CO 0.00 0.56 0.04 0.22 -1.00 0.00 0.00 179.01 178.83 3i58 h ASP 135 N 0.88 0.10 -0.33 1.42 3.58 -0.51 -2.60 116.42 118.97 3i58 h ASP 135 Ca 0.31 -0.13 -0.07 0.00 0.42 0.00 0.00 57.03 57.57 3i58 h ASP 135 Cb 0.09 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.09 3i58 h ASP 135 CO -0.14 0.20 -0.01 -0.07 -2.88 0.00 0.00 179.24 176.34 3i58 h LEU 136 N -0.01 0.66 -1.00 2.28 3.38 -0.90 -2.52 115.31 117.20 3i58 h LEU 136 Ca 0.03 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.84 3i58 h LEU 136 Cb 0.13 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.70 3i58 h LEU 136 CO -0.00 0.74 0.00 1.23 0.09 0.00 0.00 178.44 180.50 3i58 h GLY 137 N 0.94 0.00 -1.23 0.83 0.00 -0.69 -2.86 103.07 100.06 3i58 h GLY 137 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 3i58 h GLY 137 CO 0.02 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.42 3i58 n SER 138 N -2.55 2.79 -3.38 0.19 3.41 -0.97 -4.79 113.62 108.33 3i58 n SER 138 Ca 0.01 -1.92 -0.19 0.00 -0.26 0.00 0.00 58.87 56.52 3i58 n SER 138 Cb 0.25 -0.20 -0.08 0.00 -0.26 0.00 0.00 64.21 63.92 3i58 n SER 138 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i58 s ASP 139 N -0.99 1.42 0.36 4.04 -1.08 -1.05 -5.03 116.67 114.33 3i58 s ASP 139 Ca 0.22 -1.64 0.09 0.00 -0.52 0.00 0.00 52.55 50.70 3i58 s ASP 139 Cb 0.12 0.43 0.83 0.00 -1.46 0.00 0.00 42.92 42.83 3i58 s ASP 139 CO 0.16 -0.27 1.88 -0.65 0.52 0.00 0.00 175.17 176.80 3i58 h PRO 140 N 7.09 0.66 -0.55 4.34 0.11 -1.87 -1.32 132.00 140.46 3i58 h PRO 140 Ca 0.05 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 66.00 3i58 h PRO 140 Cb 1.04 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 31.99 3i58 h PRO 140 CO 0.21 0.44 -0.09 0.28 -0.21 0.00 0.00 178.00 178.63 3i58 h VAL 141 N 0.68 1.27 -0.20 3.15 2.07 -1.96 0.19 116.25 121.45 3i58 h VAL 141 Ca 0.44 -1.24 -0.02 0.00 0.82 0.00 0.00 66.70 66.69 3i58 h VAL 141 Cb 0.70 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 3i58 h VAL 141 CO -0.19 0.44 0.04 0.25 0.02 0.00 0.00 177.57 178.13 3i58 h LEU 142 N 0.92 0.31 -1.48 2.57 6.46 -1.71 -2.19 115.31 120.18 3i58 h LEU 142 Ca 0.15 -0.25 -0.01 0.00 -0.12 0.00 0.00 57.88 57.66 3i58 h LEU 142 Cb 0.65 -0.08 -0.02 0.00 -0.73 0.00 0.00 40.66 40.48 3i58 h LEU 142 CO 0.04 0.47 0.25 -1.28 -0.62 0.00 0.00 178.44 177.31 3i58 h SER 143 N 0.13 0.53 -0.27 1.25 0.87 -1.10 -2.16 113.55 112.79 3i58 h SER 143 Ca 0.06 -0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.57 3i58 h SER 143 Cb 0.29 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 3i58 h SER 143 CO 0.00 0.42 0.07 0.00 -0.53 0.00 0.00 176.83 176.80 3i58 h ALA 144 N 1.67 0.36 -0.95 6.23 0.00 -0.57 -2.12 119.26 123.87 3i58 h ALA 144 Ca 0.16 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3i58 h ALA 144 Cb 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 3i58 h ALA 144 CO -0.03 0.01 0.63 0.66 0.00 0.00 0.00 179.25 180.52 3i58 h SER 145 N 0.28 1.07 -0.75 0.00 4.64 -0.88 -1.54 113.55 116.35 3i58 h SER 145 Ca 0.09 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.37 3i58 h SER 145 Cb 0.27 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 62.07 3i58 h SER 145 CO -0.00 0.75 0.42 0.15 -0.87 0.00 0.00 176.83 177.28 3i58 h PHE 146 N 1.25 1.02 -0.82 4.77 3.57 -1.13 -1.46 116.94 124.14 3i58 h PHE 146 Ca 0.36 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.87 3i58 h PHE 146 Cb -0.08 -0.33 -0.05 0.00 2.79 0.00 0.00 35.95 38.29 3i58 h PHE 146 CO -0.00 0.71 0.53 -0.44 -2.23 0.00 0.00 178.31 176.88 3i58 h ASP 147 N 1.03 0.89 -0.55 0.41 3.32 -0.63 -0.72 116.42 120.17 3i58 h ASP 147 Ca 0.27 -0.01 -0.03 0.00 0.02 0.00 0.00 57.03 57.27 3i58 h ASP 147 Cb 0.02 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 3i58 h ASP 147 CO -0.04 0.62 0.22 0.74 -1.72 0.00 0.00 179.24 179.06 3i58 h THR 148 N 1.05 1.22 -0.37 0.35 2.02 -0.91 0.00 112.91 116.27 3i58 h THR 148 Ca 0.32 -0.68 -0.07 0.00 0.77 0.00 0.00 66.41 66.75 3i58 h THR 148 Cb -0.03 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 3i58 h THR 148 CO -0.10 0.26 -0.04 -0.07 0.37 0.00 0.00 175.52 175.94 3i58 h LEU 149 N 0.75 0.68 -0.98 2.58 3.38 -0.76 0.35 115.31 121.33 3i58 h LEU 149 Ca 0.18 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 3i58 h LEU 149 Cb 0.20 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3i58 h LEU 149 CO -0.02 0.85 -0.01 0.24 0.09 0.00 0.00 178.44 179.60 3i58 h MET 150 N 0.49 0.73 -0.17 1.13 2.86 -1.04 0.12 114.93 119.06 3i58 h MET 150 Ca 0.10 -0.19 0.02 0.00 -2.06 0.00 0.00 59.70 57.57 3i58 h MET 150 Cb 0.53 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 3i58 h MET 150 CO 0.03 0.75 0.04 1.03 1.06 0.00 0.00 176.91 179.82 3i58 h SER 151 N 0.68 0.04 -0.21 1.22 0.87 -0.58 -1.69 113.55 113.88 3i58 h SER 151 Ca 0.13 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.68 3i58 h SER 151 Cb 0.44 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.40 3i58 h SER 151 CO 0.02 0.05 0.02 -0.74 -0.53 0.00 0.00 176.83 175.65 3i58 h HIS 152 N 0.12 0.47 0.00 2.24 6.17 -0.19 -2.11 115.15 121.84 3i58 h HIS 152 Ca 0.07 -0.04 -0.02 0.00 0.71 0.00 0.00 60.37 61.10 3i58 h HIS 152 Cb 0.06 -0.14 -0.00 0.00 2.52 0.00 0.00 27.41 29.84 3i58 h HIS 152 CO -0.12 0.45 -0.10 1.25 0.71 0.00 0.00 177.93 180.12 3i58 h HIS 153 N 0.45 0.00 -0.51 5.26 6.17 0.15 -1.84 115.15 124.82 3i58 h HIS 153 Ca 0.10 0.00 -0.10 0.00 0.71 0.00 0.00 60.37 61.08 3i58 h HIS 153 Cb 0.26 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 30.17 3i58 h HIS 153 CO 0.01 0.10 -0.09 -0.07 0.71 0.00 0.00 177.93 178.59 3i58 h LEU 154 N 0.00 0.93 -0.19 0.26 3.38 -0.95 -0.16 115.31 118.58 3i58 h LEU 154 Ca -0.00 -0.29 -0.08 0.00 0.09 0.00 0.00 57.88 57.60 3i58 h LEU 154 Cb 0.23 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3i58 h LEU 154 CO 0.01 1.04 -0.20 -0.33 0.09 0.00 0.00 178.44 179.05 3i58 h GLU 155 N 0.85 0.48 -0.69 1.13 5.08 -1.41 0.22 114.58 120.23 3i58 h GLU 155 Ca 0.14 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 3i58 h GLU 155 Cb 0.62 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 3i58 h GLU 155 CO 0.04 0.83 0.24 -0.07 -1.00 0.00 0.00 179.01 179.05 3i58 h LEU 156 N 0.14 0.99 0.00 1.33 3.38 -1.25 -3.35 115.31 116.55 3i58 h LEU 156 Ca 0.03 -0.20 -0.24 0.00 0.09 0.00 0.00 57.88 57.56 3i58 h LEU 156 Cb 0.75 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 3i58 h LEU 156 CO 0.05 0.92 -1.90 0.47 0.09 0.00 0.00 178.44 178.07 3i58 n ASP 157 N -4.33 2.27 -0.43 -0.43 10.43 -0.08 -4.70 116.55 119.27 3i58 n ASP 157 Ca 0.05 -0.04 0.11 0.00 2.57 0.00 0.00 54.79 57.48 3i58 n ASP 157 Cb 0.20 0.30 0.45 0.00 1.84 0.00 0.00 41.12 43.92 3i58 n ASP 157 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 3i58 n TYR 158 N -2.71 0.13 -1.35 1.24 4.02 0.78 -3.95 117.16 115.33 3i58 n TYR 158 Ca -0.25 -0.07 -0.61 0.00 -0.01 0.00 0.00 57.90 56.97 3i58 n TYR 158 Cb 0.86 0.00 -0.11 0.00 -0.02 0.00 0.00 39.34 40.07 3i58 n TYR 158 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 176.86 173.48 3i58 n THR 159 N 0.07 0.01 0.00 -0.72 5.66 -1.24 0.02 114.28 118.09 3i58 n THR 159 Ca 0.17 -0.01 0.00 0.00 -3.05 0.00 0.00 64.05 61.15 3i58 n THR 159 Cb 0.28 -0.57 0.00 0.00 -1.55 0.00 0.00 70.33 68.49 3i58 n THR 159 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3i58 n GLY 160 N 6.84 2.26 0.28 1.09 0.00 -1.26 -4.56 105.19 109.85 3i58 n GLY 160 Ca 0.50 0.00 0.21 0.00 0.00 0.00 0.00 46.02 46.73 3i58 n GLY 160 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3i58 n ILE 161 N -1.62 -0.36 -0.25 -0.61 0.13 0.10 -1.25 119.36 115.50 3i58 n ILE 161 Ca 0.00 1.80 0.05 0.00 -1.10 0.00 0.00 62.75 63.51 3i58 n ILE 161 Cb 0.00 -2.80 0.17 0.00 -0.84 0.00 0.00 39.64 36.16 3i58 n ILE 161 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 3i58 h ALA 162 N 1.72 0.82 0.02 1.51 0.00 -1.91 -3.05 119.26 118.36 3i58 h ALA 162 Ca 0.64 0.23 -0.31 0.00 0.00 0.00 0.00 54.91 55.46 3i58 h ALA 162 Cb 1.57 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 19.69 3i58 h ALA 162 CO -0.72 -0.41 -1.85 0.00 0.00 0.00 0.00 179.25 176.26 3i58 n ALA 163 N -2.88 1.41 0.00 0.00 0.00 -0.38 -4.35 120.51 114.31 3i58 n ALA 163 Ca 0.14 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.76 3i58 n ALA 163 Cb 0.48 -0.73 0.01 0.00 0.00 0.00 0.00 19.45 19.20 3i58 n ALA 163 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i58 n LYS 164 N -3.08 0.00 -4.15 0.00 3.00 -1.13 -4.62 118.16 108.20 3i58 n LYS 164 Ca -0.22 0.49 -0.10 0.00 -0.00 0.00 0.00 58.31 58.48 3i58 n LYS 164 Cb 1.06 -1.51 -0.10 0.00 0.00 0.00 0.00 35.03 34.48 3i58 n LYS 164 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 3i58 s TYR 165 N -2.99 0.82 -1.22 5.64 5.04 -1.25 -5.02 117.35 118.38 3i58 s TYR 165 Ca -0.00 -0.87 -0.13 0.00 -2.44 0.00 0.00 57.07 53.63 3i58 s TYR 165 Cb 0.00 -0.48 0.18 0.00 0.35 0.00 0.00 41.96 42.00 3i58 s TYR 165 CO 0.00 -0.16 1.49 -3.47 -1.34 0.00 0.00 175.55 172.07 3i58 n ASP 166 N 0.19 5.24 0.04 4.32 2.03 -1.26 -4.80 116.55 122.30 3i58 n ASP 166 Ca -0.14 -3.01 -0.13 0.00 0.52 0.00 0.00 54.79 52.04 3i58 n ASP 166 Cb 0.60 -1.54 -0.09 0.00 -0.72 0.00 0.00 41.12 39.37 3i58 n ASP 166 CO 0.00 0.00 0.00 -0.50 -1.92 0.00 0.00 177.20 174.78 3i58 h TRP 167 N 6.86 -0.12 -1.38 -0.67 4.06 -1.94 -3.20 115.95 119.57 3i58 h TRP 167 Ca 0.32 -0.00 0.44 0.00 2.06 0.00 0.00 58.89 61.71 3i58 h TRP 167 Cb 0.83 0.04 -0.12 0.00 -1.00 0.00 0.00 29.16 28.91 3i58 h TRP 167 CO 1.10 0.29 0.91 0.00 -3.56 0.00 0.00 178.44 177.19 3i58 h ALA 168 N 0.27 2.86 0.00 1.49 0.00 -1.94 0.67 119.26 122.61 3i58 h ALA 168 Ca -0.01 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3i58 h ALA 168 Cb 0.47 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3i58 h ALA 168 CO 0.02 -1.46 0.00 0.00 0.00 0.00 0.00 179.25 177.81 3i58 h ALA 169 N 1.52 1.00 0.00 0.00 0.00 -1.96 -2.88 119.26 116.94 3i58 h ALA 169 Ca 0.81 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.62 3i58 h ALA 169 Cb 2.65 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 20.42 3i58 h ALA 169 CO -0.35 0.00 -0.50 -0.07 0.00 0.00 0.00 179.25 178.34 3i58 h LEU 170 N 0.00 0.00 0.00 0.00 3.38 0.20 -3.47 115.31 115.41 3i58 h LEU 170 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i58 h LEU 170 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3i58 h LEU 170 CO 0.00 0.50 0.00 0.61 0.09 0.00 0.00 178.44 179.64 3i58 n GLY 171 N 0.88 1.88 2.76 0.83 0.00 -1.09 -3.65 105.19 106.79 3i58 n GLY 171 Ca 0.01 -0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 3i58 n GLY 171 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3i58 s HIS 172 N 0.00 0.63 0.01 1.61 5.65 -1.25 -1.31 115.29 120.63 3i58 s HIS 172 Ca 0.00 -0.16 0.04 0.00 0.25 0.00 0.00 55.06 55.19 3i58 s HIS 172 Cb 0.00 -0.78 -0.03 0.00 -1.18 0.00 0.00 32.58 30.58 3i58 s HIS 172 CO 0.00 -0.33 -0.07 0.14 -0.65 0.00 0.00 174.74 173.83 3i58 s VAL 173 N 1.99 3.60 -0.22 0.89 -7.23 -0.44 -0.37 120.40 118.61 3i58 s VAL 173 Ca 0.05 -0.83 -0.04 0.00 -1.81 0.00 0.00 61.98 59.35 3i58 s VAL 173 Cb -0.12 -2.57 -0.01 0.00 0.56 0.00 0.00 36.38 34.23 3i58 s VAL 173 CO -0.05 0.36 -0.05 -0.69 -0.31 0.00 0.00 175.10 174.36 3i58 s VAL 174 N -1.02 3.32 -0.72 1.32 1.01 0.58 -1.09 120.40 123.81 3i58 s VAL 174 Ca 0.17 -0.51 -0.20 0.00 0.00 0.00 0.00 61.98 61.44 3i58 s VAL 174 Cb -0.11 -2.50 0.10 0.00 0.00 0.00 0.00 36.38 33.87 3i58 s VAL 174 CO 0.08 0.43 0.93 -0.62 0.00 0.00 0.00 175.10 175.92 3i58 s ASP 175 N 1.43 6.33 -0.31 3.32 -1.08 0.70 -0.09 116.67 126.97 3i58 s ASP 175 Ca 0.05 -1.49 -0.29 0.00 -0.52 0.00 0.00 52.55 50.30 3i58 s ASP 175 Cb -0.14 -2.37 -0.01 0.00 -1.46 0.00 0.00 42.92 38.94 3i58 s ASP 175 CO -0.03 -1.20 1.52 -0.69 0.52 0.00 0.00 175.17 175.28 3i58 s VAL 176 N 3.11 3.82 0.00 1.11 1.01 0.11 -1.78 120.40 127.78 3i58 s VAL 176 Ca 0.22 0.89 0.00 0.00 0.00 0.00 0.00 61.98 63.08 3i58 s VAL 176 Cb -0.15 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.28 3i58 s VAL 176 CO 0.03 -0.49 0.00 0.61 0.00 0.00 0.00 175.10 175.25 3i58 n GLY 177 N 4.83 0.51 0.03 4.51 0.00 0.13 -4.35 105.19 110.85 3i58 n GLY 177 Ca 0.18 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.34 3i58 n GLY 177 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i58 n GLY 178 N -1.52 -0.16 7.00 -0.02 0.00 -0.73 -4.87 105.19 104.88 3i58 n GLY 178 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i58 n GLY 178 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i58 n GLY 179 N -0.26 1.77 0.37 -0.02 0.00 -1.26 -1.55 105.19 104.25 3i58 n GLY 179 Ca 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.63 3i58 n GLY 179 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i58 n SER 180 N -1.35 0.67 0.00 1.61 3.41 -1.26 -4.15 113.62 112.56 3i58 n SER 180 Ca 0.00 -1.80 0.00 0.00 -0.26 0.00 0.00 58.87 56.81 3i58 n SER 180 Cb 0.00 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 3i58 n SER 180 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i58 n GLY 181 N 0.14 0.71 0.19 5.00 0.00 -0.60 -3.53 105.19 107.11 3i58 n GLY 181 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 3i58 n GLY 181 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3i58 h GLY 182 N 0.00 0.49 0.93 -0.02 0.00 -1.89 0.21 103.07 102.79 3i58 h GLY 182 Ca 0.00 0.05 -0.00 0.00 0.00 0.00 0.00 47.33 47.38 3i58 h GLY 182 CO 0.00 -0.12 0.08 -2.00 0.00 0.00 0.00 176.54 174.49 3i58 h LEU 183 N 0.12 0.17 -0.74 3.11 5.85 -1.93 -0.69 115.31 121.20 3i58 h LEU 183 Ca 0.24 -0.09 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 3i58 h LEU 183 Cb 0.35 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 3i58 h LEU 183 CO -0.39 0.21 0.35 0.25 -0.34 0.00 0.00 178.44 178.52 3i58 h LEU 184 N 0.12 0.98 -1.70 2.25 6.46 -1.83 -0.09 115.31 121.51 3i58 h LEU 184 Ca 0.05 -0.14 0.01 0.00 -0.12 0.00 0.00 57.88 57.68 3i58 h LEU 184 Cb 0.08 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 39.74 3i58 h LEU 184 CO -0.01 0.85 0.22 -1.28 -0.62 0.00 0.00 178.44 177.60 3i58 h SER 185 N 1.05 0.35 0.24 1.25 0.87 -0.23 -0.36 113.55 116.71 3i58 h SER 185 Ca 0.25 -0.01 -0.28 0.00 -1.23 0.00 0.00 61.79 60.53 3i58 h SER 185 Cb 0.13 -0.08 0.02 0.00 -0.44 0.00 0.00 62.40 62.03 3i58 h SER 185 CO -0.03 0.25 -1.18 0.00 -0.53 0.00 0.00 176.83 175.34 3i58 h ALA 186 N 1.80 0.09 0.08 6.23 0.00 -0.14 -2.61 119.26 124.70 3i58 h ALA 186 Ca 0.13 -0.77 -0.00 0.00 0.00 0.00 0.00 54.91 54.26 3i58 h ALA 186 Cb 0.02 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3i58 h ALA 186 CO -0.03 0.75 -0.04 -0.07 0.00 0.00 0.00 179.25 179.87 3i58 h LEU 187 N 0.25 -0.09 -1.26 0.00 4.07 -0.34 -2.79 115.31 115.15 3i58 h LEU 187 Ca -0.16 -0.24 -0.07 0.00 0.08 0.00 0.00 57.88 57.49 3i58 h LEU 187 Cb 1.85 0.02 -0.01 0.00 1.08 0.00 0.00 40.66 43.60 3i58 h LEU 187 CO 0.22 0.19 -0.27 -0.07 -1.08 0.00 0.00 178.44 177.44 3i58 h LEU 188 N -0.37 0.16 -0.86 1.67 3.38 -1.20 -1.16 115.31 116.93 3i58 h LEU 188 Ca -0.01 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.81 3i58 h LEU 188 Cb 0.32 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3i58 h LEU 188 CO 0.02 0.43 -0.22 0.74 0.09 0.00 0.00 178.44 179.50 3i58 h THR 189 N 0.15 1.26 0.00 0.22 2.02 -1.45 -2.89 112.91 112.22 3i58 h THR 189 Ca 0.02 -1.26 0.00 0.00 0.77 0.00 0.00 66.41 65.94 3i58 h THR 189 Cb 0.56 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 3i58 h THR 189 CO 0.04 0.41 -0.22 0.00 0.37 0.00 0.00 175.52 176.12 3i58 h ALA 190 N 1.23 0.89 -3.03 6.16 0.00 -1.17 -3.41 119.26 119.93 3i58 h ALA 190 Ca 0.08 0.00 -0.60 0.00 0.00 0.00 0.00 54.91 54.39 3i58 h ALA 190 Cb 0.67 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 18.06 3i58 h ALA 190 CO 0.05 0.00 -0.75 -1.01 0.00 0.00 0.00 179.25 177.54 3i58 s HIS 191 N -3.24 1.86 -1.28 0.00 3.76 -0.48 -5.02 115.29 110.90 3i58 s HIS 191 Ca 0.06 -2.18 0.02 0.00 -0.15 0.00 0.00 55.06 52.81 3i58 s HIS 191 Cb 0.07 -1.80 0.11 0.00 1.11 0.00 0.00 32.58 32.07 3i58 s HIS 191 CO 0.69 -0.82 0.95 0.39 -0.85 0.00 0.00 174.74 175.10 3i58 n GLU 192 N 3.99 0.02 -0.06 1.40 1.02 -1.24 -1.79 120.64 123.99 3i58 n GLU 192 Ca 0.06 0.33 0.05 0.00 -0.02 0.00 0.00 57.16 57.57 3i58 n GLU 192 Cb 0.37 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.36 3i58 n GLU 192 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3i58 n ASP 193 N -1.36 2.15 -4.87 1.62 9.92 -1.26 -4.99 116.55 117.75 3i58 n ASP 193 Ca 0.01 -1.62 -0.33 0.00 -0.53 0.00 0.00 54.79 52.32 3i58 n ASP 193 Cb 0.02 -0.07 -0.05 0.00 -0.64 0.00 0.00 41.12 40.37 3i58 n ASP 193 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 3i58 s LEU 194 N -0.85 4.24 0.07 0.64 2.96 -0.74 -4.90 118.68 120.10 3i58 s LEU 194 Ca 0.14 0.85 0.01 0.00 -0.22 0.00 0.00 54.13 54.91 3i58 s LEU 194 Cb 0.08 -3.45 -0.04 0.00 0.50 0.00 0.00 46.19 43.29 3i58 s LEU 194 CO 0.12 0.01 -0.06 -0.94 -1.32 0.00 0.00 176.35 174.16 3i58 s SER 195 N -2.21 0.84 0.36 3.68 1.04 -0.43 -4.88 113.70 112.11 3i58 s SER 195 Ca 0.43 -0.86 -0.14 0.00 0.48 0.00 0.00 55.95 55.86 3i58 s SER 195 Cb -0.12 0.11 0.04 0.00 0.10 0.00 0.00 66.02 66.15 3i58 s SER 195 CO 0.21 -0.43 0.72 -0.83 0.98 0.00 0.00 173.24 173.89 3i58 s GLY 196 N -2.55 0.52 -0.04 7.32 0.00 -0.75 -1.33 107.32 110.49 3i58 s GLY 196 Ca 0.03 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 43.91 3i58 s GLY 196 CO -0.05 -0.42 -0.02 -1.59 0.00 0.00 0.00 173.10 171.03 3i58 s THR 197 N -2.66 0.33 -0.20 0.90 2.01 -0.25 -1.40 115.64 114.38 3i58 s THR 197 Ca 0.18 0.02 -0.16 0.00 0.31 0.00 0.00 61.69 62.04 3i58 s THR 197 Cb -0.04 -0.41 -0.04 0.00 0.01 0.00 0.00 72.50 72.02 3i58 s THR 197 CO 0.12 0.19 0.41 -0.69 -0.69 0.00 0.00 174.62 173.97 3i58 s VAL 198 N 1.12 5.19 -0.22 3.82 1.01 -0.21 -0.21 120.40 130.89 3i58 s VAL 198 Ca -0.08 0.74 -0.01 0.00 0.00 0.00 0.00 61.98 62.62 3i58 s VAL 198 Cb -0.14 -3.74 0.02 0.00 0.00 0.00 0.00 36.38 32.52 3i58 s VAL 198 CO -0.01 0.24 -0.09 -0.22 0.00 0.00 0.00 175.10 175.02 3i58 s LEU 199 N 1.35 2.85 0.00 3.92 0.20 -0.76 -1.17 118.68 125.07 3i58 s LEU 199 Ca 0.20 -0.70 -0.02 0.00 0.69 0.00 0.00 54.13 54.30 3i58 s LEU 199 Cb -0.15 -1.64 0.01 0.00 -0.43 0.00 0.00 46.19 43.99 3i58 s LEU 199 CO 0.08 -0.07 0.16 -0.67 -0.29 0.00 0.00 176.35 175.56 3i58 n ASP 200 N 4.69 -0.46 -4.65 3.68 -0.08 -1.17 0.17 116.55 118.72 3i58 n ASP 200 Ca -0.18 -1.43 -0.29 0.00 -1.51 0.00 0.00 54.79 51.38 3i58 n ASP 200 Cb 0.49 0.80 0.12 0.00 2.34 0.00 0.00 41.12 44.86 3i58 n ASP 200 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3i58 s LEU 201 N 0.00 2.59 0.16 -2.67 1.43 -1.26 -0.92 118.68 118.02 3i58 s LEU 201 Ca 0.05 0.58 -0.28 0.00 -1.03 0.00 0.00 54.13 53.46 3i58 s LEU 201 Cb -0.01 -2.93 -0.00 0.00 0.03 0.00 0.00 46.19 43.27 3i58 s LEU 201 CO 0.04 -2.16 1.56 1.56 0.23 0.00 0.00 176.35 177.58 3i58 h GLN 202 N -1.22 -0.23 -0.01 1.70 4.20 -1.96 -1.34 115.11 116.25 3i58 h GLN 202 Ca -0.45 0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.28 3i58 h GLN 202 Cb 1.30 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.11 3i58 h GLN 202 CO 0.56 -0.15 -0.15 0.78 -0.67 0.00 0.00 178.83 179.20 3i58 h GLY 203 N -0.24 -1.36 1.00 3.46 0.00 -1.97 -1.39 103.07 102.57 3i58 h GLY 203 Ca 0.16 0.64 0.00 0.00 0.00 0.00 0.00 47.33 48.13 3i58 h GLY 203 CO -0.71 -0.46 0.31 -2.55 0.00 0.00 0.00 176.54 173.13 3i58 h PRO 204 N -0.18 0.62 -0.91 4.80 0.11 -1.86 -2.51 132.00 132.07 3i58 h PRO 204 Ca 0.01 -0.04 0.13 0.00 0.11 0.00 0.00 66.00 66.20 3i58 h PRO 204 Cb 0.20 -0.14 -0.09 0.00 0.11 0.00 0.00 31.00 31.08 3i58 h PRO 204 CO -0.11 0.42 0.53 0.00 -0.21 0.00 0.00 178.00 178.64 3i58 h ALA 205 N 1.17 1.38 0.00 -0.75 0.00 -1.16 0.34 119.26 120.23 3i58 h ALA 205 Ca 0.17 0.05 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 3i58 h ALA 205 Cb -0.06 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3i58 h ALA 205 CO -0.04 0.08 -0.58 0.66 0.00 0.00 0.00 179.25 179.37 3i58 h SER 206 N 0.81 0.00 -0.19 0.00 4.64 -1.05 -1.29 113.55 116.47 3i58 h SER 206 Ca 0.47 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.65 3i58 h SER 206 Cb 0.54 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.62 3i58 h SER 206 CO -0.30 0.58 -0.36 0.00 -0.87 0.00 0.00 176.83 175.87 3i58 h ALA 207 N 1.42 0.77 -0.14 5.18 0.00 -0.32 -0.97 119.26 125.21 3i58 h ALA 207 Ca -0.01 -0.43 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 3i58 h ALA 207 Cb 1.09 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3i58 h ALA 207 CO 0.08 0.65 0.05 0.00 0.00 0.00 0.00 179.25 180.02 3i58 h ALA 208 N 0.99 0.18 -0.22 0.00 0.00 -0.14 -1.75 119.26 118.31 3i58 h ALA 208 Ca 0.06 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 54.90 3i58 h ALA 208 Cb 0.90 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 3i58 h ALA 208 CO 0.08 -0.21 -0.13 1.25 0.00 0.00 0.00 179.25 180.24 3i58 h HIS 209 N 0.05 -0.32 -0.87 0.00 6.17 -1.05 0.26 115.15 119.38 3i58 h HIS 209 Ca 0.04 0.03 0.06 0.00 0.71 0.00 0.00 60.37 61.21 3i58 h HIS 209 Cb 0.21 0.17 -0.05 0.00 2.52 0.00 0.00 27.41 30.26 3i58 h HIS 209 CO -0.01 -0.19 0.57 -0.09 0.71 0.00 0.00 177.93 178.92 3i58 h ARG 210 N -0.11 0.98 0.32 5.26 2.43 -1.06 -1.34 114.38 120.86 3i58 h ARG 210 Ca 0.12 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.22 3i58 h ARG 210 Cb 0.30 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.63 3i58 h ARG 210 CO -0.29 0.65 -0.15 -0.09 -1.51 0.00 0.00 179.97 178.57 3i58 h ARG 211 N 1.01 -0.41 -0.58 0.20 2.43 -0.35 -2.59 114.38 114.09 3i58 h ARG 211 Ca 0.37 0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.61 3i58 h ARG 211 Cb 0.16 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 29.75 3i58 h ARG 211 CO -0.13 -0.18 0.32 0.74 -1.51 0.00 0.00 179.97 179.22 3i58 h PHE 212 N -0.59 0.60 0.01 2.20 0.04 -0.61 -0.53 116.94 118.06 3i58 h PHE 212 Ca -0.04 0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.77 3i58 h PHE 212 Cb 0.43 -0.18 -0.03 0.00 2.20 0.00 0.00 35.95 38.36 3i58 h PHE 212 CO -0.01 0.31 -0.15 -0.07 -0.60 0.00 0.00 178.31 177.79 3i58 h LEU 213 N 0.62 -0.43 -1.13 1.54 3.38 -1.21 -0.20 115.31 117.88 3i58 h LEU 213 Ca 0.25 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.21 3i58 h LEU 213 Cb 0.11 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3i58 h LEU 213 CO -0.15 -0.21 -0.15 0.44 0.09 0.00 0.00 178.44 178.47 3i58 h ASP 214 N -0.25 0.41 -0.44 -0.43 3.32 -1.18 -2.81 116.42 115.05 3i58 h ASP 214 Ca 0.05 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 56.99 3i58 h ASP 214 Cb 0.31 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.75 3i58 h ASP 214 CO -0.14 0.59 0.00 0.35 -1.72 0.00 0.00 179.24 178.32 3i58 n THR 215 N -4.20 0.59 -3.38 0.35 -2.24 -0.23 -4.94 114.28 100.23 3i58 n THR 215 Ca 0.00 -0.60 -0.19 0.00 -2.27 0.00 0.00 64.05 61.00 3i58 n THR 215 Cb 0.33 0.31 0.07 0.00 -2.10 0.00 0.00 70.33 68.94 3i58 n THR 215 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i58 n GLY 216 N 1.22 -0.27 0.18 3.38 0.00 -0.67 -4.93 105.19 104.09 3i58 n GLY 216 Ca 0.15 0.08 0.02 0.00 0.00 0.00 0.00 46.02 46.27 3i58 n GLY 216 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i58 n LEU 217 N -4.14 1.52 0.33 0.99 4.77 -0.18 -4.68 117.00 115.62 3i58 n LEU 217 Ca -0.02 -1.17 0.18 0.00 -0.03 0.00 0.00 56.01 54.97 3i58 n LEU 217 Cb 0.56 -0.01 0.96 0.00 -2.33 0.00 0.00 43.42 42.60 3i58 n LEU 217 CO 0.53 0.34 1.13 0.77 -1.33 0.00 0.00 177.39 178.83 3i58 h SER 218 N 0.83 0.00 1.01 -1.43 4.64 -1.74 0.94 113.55 117.80 3i58 h SER 218 Ca 0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 3i58 h SER 218 Cb 0.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.32 3i58 h SER 218 CO 0.00 0.00 -0.44 1.23 -0.87 0.00 0.00 176.83 176.75 3i58 h GLY 219 N 0.00 0.00 0.00 -0.77 0.00 -1.93 -3.36 103.07 97.01 3i58 h GLY 219 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3i58 h GLY 219 CO 0.00 0.00 -1.20 0.54 0.00 0.00 0.00 176.54 175.88 3i58 n ARG 220 N -3.45 2.46 -3.77 4.80 1.74 0.29 -5.00 116.66 113.73 3i58 n ARG 220 Ca 0.00 -0.01 -0.36 0.00 -0.77 0.00 0.00 57.85 56.71 3i58 n ARG 220 Cb 0.59 -1.08 -0.10 0.00 -1.02 0.00 0.00 32.46 30.84 3i58 n ARG 220 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i58 s ALA 221 N -2.13 3.47 0.09 7.54 0.00 0.30 -1.81 121.76 129.23 3i58 s ALA 221 Ca -0.02 -0.90 0.08 0.00 0.00 0.00 0.00 51.96 51.12 3i58 s ALA 221 Cb 0.01 -2.18 -0.03 0.00 0.00 0.00 0.00 23.12 20.92 3i58 s ALA 221 CO 0.14 -0.17 -0.21 1.14 0.00 0.00 0.00 175.76 176.66 3i58 s GLN 222 N 1.01 1.21 0.09 0.00 -2.07 -0.49 -4.31 119.66 115.10 3i58 s GLN 222 Ca 0.06 -1.13 0.05 0.00 -1.82 0.00 0.00 55.36 52.51 3i58 s GLN 222 Cb -0.14 -1.47 -0.04 0.00 -1.09 0.00 0.00 33.01 30.28 3i58 s GLN 222 CO 0.04 0.35 -0.01 0.08 -1.32 0.00 0.00 175.29 174.42 3i58 s VAL 223 N -1.07 3.95 -0.16 3.63 1.01 -1.26 -1.04 120.40 125.45 3i58 s VAL 223 Ca 0.07 -1.00 -0.04 0.00 0.00 0.00 0.00 61.98 61.02 3i58 s VAL 223 Cb -0.10 -2.87 0.07 0.00 0.00 0.00 0.00 36.38 33.49 3i58 s VAL 223 CO 0.04 0.14 0.21 -0.69 0.00 0.00 0.00 175.10 174.79 3i58 s VAL 224 N -1.28 -0.31 0.05 2.92 1.01 -0.32 -4.90 120.40 117.57 3i58 s VAL 224 Ca 0.25 0.07 -0.30 0.00 0.00 0.00 0.00 61.98 62.00 3i58 s VAL 224 Cb -0.12 -0.53 -0.05 0.00 0.00 0.00 0.00 36.38 35.68 3i58 s VAL 224 CO 0.17 -0.06 1.16 -0.69 0.00 0.00 0.00 175.10 175.68 3i58 s VAL 225 N 2.32 4.17 0.00 2.92 1.01 -1.26 -3.07 120.40 126.49 3i58 s VAL 225 Ca 0.05 1.56 0.00 0.00 0.00 0.00 0.00 61.98 63.59 3i58 s VAL 225 Cb -0.14 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.24 3i58 s VAL 225 CO -0.10 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.74 3i58 n GLY 226 N 3.16 0.92 3.83 4.51 0.00 -0.10 -4.93 105.19 112.57 3i58 n GLY 226 Ca 0.08 -0.90 -0.37 0.00 0.00 0.00 0.00 46.02 44.84 3i58 n GLY 226 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i58 s SER 227 N 0.00 6.42 0.00 1.61 0.15 -1.26 -3.99 113.70 116.63 3i58 s SER 227 Ca 0.00 0.49 0.00 0.00 0.70 0.00 0.00 55.95 57.14 3i58 s SER 227 Cb 0.00 -2.11 0.00 0.00 -1.71 0.00 0.00 66.02 62.20 3i58 s SER 227 CO 0.00 0.32 0.71 2.22 1.20 0.00 0.00 173.24 177.69 3i58 n PHE 228 N 2.44 0.00 0.28 3.44 1.16 -1.26 -1.98 117.46 121.53 3i58 n PHE 228 Ca -0.18 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.52 3i58 n PHE 228 Cb 0.54 -0.04 -0.08 0.00 -1.61 0.00 0.00 39.48 38.28 3i58 n PHE 228 CO 0.00 0.00 0.00 1.19 -1.87 0.00 0.00 176.76 176.08 3i58 n PHE 229 N -0.24 0.26 -3.05 2.97 3.01 -1.26 -4.54 117.46 114.60 3i58 n PHE 229 Ca 0.00 0.07 -0.18 0.00 1.01 0.00 0.00 57.45 58.36 3i58 n PHE 229 Cb 0.11 -0.52 0.01 0.00 -0.01 0.00 0.00 39.48 39.08 3i58 n PHE 229 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3i58 s ASP 230 N -4.35 5.56 0.97 4.37 1.01 -0.84 -4.98 116.67 118.41 3i58 s ASP 230 Ca -0.02 -0.49 -0.13 0.00 0.71 0.00 0.00 52.55 52.62 3i58 s ASP 230 Cb 0.13 -0.54 0.03 0.00 1.01 0.00 0.00 42.92 43.55 3i58 s ASP 230 CO 0.85 -0.82 0.30 -2.65 0.21 0.00 0.00 175.17 173.06 3i58 n PRO 231 N -1.88 -0.38 -4.39 8.23 -0.02 -1.26 -4.92 135.00 130.38 3i58 n PRO 231 Ca 0.09 -0.07 -0.20 0.00 -2.02 0.00 0.00 63.50 61.29 3i58 n PRO 231 Cb 0.59 -1.79 -0.10 0.00 -0.02 0.00 0.00 33.50 32.18 3i58 n PRO 231 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i58 s LEU 232 N -0.57 2.48 -0.07 2.45 1.43 -1.26 -4.92 118.68 118.21 3i58 s LEU 232 Ca 0.56 -1.14 -0.34 0.00 -1.03 0.00 0.00 54.13 52.17 3i58 s LEU 232 Cb -0.20 -0.61 -0.12 0.00 0.03 0.00 0.00 46.19 45.29 3i58 s LEU 232 CO 0.68 -0.31 1.87 -2.65 0.23 0.00 0.00 176.35 176.18 3i58 n PRO 233 N -0.51 2.21 -2.38 1.29 -0.02 -1.26 -4.89 135.00 129.44 3i58 n PRO 233 Ca -0.06 0.81 -0.25 0.00 -2.02 0.00 0.00 63.50 61.98 3i58 n PRO 233 Cb 0.63 -2.66 0.05 0.00 -0.02 0.00 0.00 33.50 31.50 3i58 n PRO 233 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i58 s ALA 234 N 3.95 3.40 -1.23 3.55 0.00 -1.26 -4.60 121.76 125.57 3i58 s ALA 234 Ca 0.92 -1.00 -0.07 0.00 0.00 0.00 0.00 51.96 51.81 3i58 s ALA 234 Cb -0.68 -2.44 0.01 0.00 0.00 0.00 0.00 23.12 20.00 3i58 s ALA 234 CO 0.51 -1.04 1.07 0.41 0.00 0.00 0.00 175.76 176.70 3i58 n GLY 235 N -2.68 -0.41 3.94 0.00 0.00 -0.23 -5.03 105.19 100.79 3i58 n GLY 235 Ca 0.07 0.16 -0.24 0.00 0.00 0.00 0.00 46.02 46.01 3i58 n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i58 s ALA 236 N -3.30 3.72 0.29 4.61 0.00 -1.26 -4.98 121.76 120.84 3i58 s ALA 236 Ca 0.45 -0.91 -0.00 0.00 0.00 0.00 0.00 51.96 51.50 3i58 s ALA 236 Cb -0.20 -2.08 0.44 0.00 0.00 0.00 0.00 23.12 21.28 3i58 s ALA 236 CO 0.67 0.05 1.84 0.78 0.00 0.00 0.00 175.76 179.10 3i58 h GLY 237 N 0.93 0.84 -4.50 0.00 0.00 -0.78 -3.40 103.07 96.17 3i58 h GLY 237 Ca -0.50 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 46.29 3i58 h GLY 237 CO 0.62 0.45 0.08 -0.32 0.00 0.00 0.00 176.54 177.37 3i58 s GLY 238 N -3.66 -0.50 -0.18 4.60 0.00 -1.13 -1.67 107.32 104.79 3i58 s GLY 238 Ca -0.09 1.43 -0.01 0.00 0.00 0.00 0.00 44.72 46.05 3i58 s GLY 238 CO 0.79 1.13 -0.13 -0.19 0.00 0.00 0.00 173.10 174.71 3i58 s TYR 239 N -0.56 2.84 -0.11 1.90 1.51 -0.44 -0.30 117.35 122.18 3i58 s TYR 239 Ca -0.07 -1.06 -0.06 0.00 -1.01 0.00 0.00 57.07 54.87 3i58 s TYR 239 Cb -0.02 -1.95 -0.04 0.00 -0.11 0.00 0.00 41.96 39.83 3i58 s TYR 239 CO 0.06 -0.52 0.10 0.08 -1.11 0.00 0.00 175.55 174.16 3i58 s VAL 240 N 1.04 5.17 -0.54 0.71 1.01 0.86 -0.43 120.40 128.23 3i58 s VAL 240 Ca -0.01 0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.09 3i58 s VAL 240 Cb -0.15 -3.24 0.15 0.00 0.00 0.00 0.00 36.38 33.14 3i58 s VAL 240 CO -0.03 0.61 0.33 -0.76 0.00 0.00 0.00 175.10 175.25 3i58 s LEU 241 N -0.93 3.72 -0.49 3.92 1.43 0.27 0.04 118.68 126.65 3i58 s LEU 241 Ca 0.14 -3.14 -0.20 0.00 -1.03 0.00 0.00 54.13 49.90 3i58 s LEU 241 Cb -0.12 -1.35 0.04 0.00 0.03 0.00 0.00 46.19 44.79 3i58 s LEU 241 CO 0.03 -0.19 0.66 -0.55 0.23 0.00 0.00 176.35 176.53 3i58 s SER 242 N -0.40 6.27 -1.36 2.29 0.15 -1.26 -1.18 113.70 118.21 3i58 s SER 242 Ca 0.21 -0.64 -0.06 0.00 0.70 0.00 0.00 55.95 56.17 3i58 s SER 242 Cb -0.17 -2.32 0.02 0.00 -1.71 0.00 0.00 66.02 61.85 3i58 s SER 242 CO -0.06 -0.88 0.95 0.00 1.20 0.00 0.00 173.24 174.44 3i58 n ALA 243 N 6.35 -1.67 -0.03 5.45 0.00 0.10 -4.90 120.51 125.80 3i58 n ALA 243 Ca -0.04 0.08 -0.07 0.00 0.00 0.00 0.00 53.44 53.41 3i58 n ALA 243 Cb 0.47 -3.52 -0.02 0.00 0.00 0.00 0.00 19.45 16.38 3i58 n ALA 243 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i58 n VAL 244 N -4.52 0.61 -0.28 0.00 0.31 -1.26 -4.76 118.33 108.43 3i58 n VAL 244 Ca -0.14 -0.02 0.14 0.00 -0.01 0.00 0.00 64.34 64.31 3i58 n VAL 244 Cb 0.61 -1.65 0.41 0.00 -0.91 0.00 0.00 33.84 32.30 3i58 n VAL 244 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3i58 h LEU 245 N -0.28 0.60 0.00 7.52 3.38 -1.91 0.11 115.31 124.73 3i58 h LEU 245 Ca -0.16 0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3i58 h LEU 245 Cb 1.00 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.69 3i58 h LEU 245 CO -0.10 0.27 0.00 0.00 0.09 0.00 0.00 178.44 178.70 3i58 n HIS 246 N -4.58 0.00 1.10 1.13 1.44 -1.26 -1.72 115.22 111.32 3i58 n HIS 246 Ca 0.19 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 56.02 3i58 n HIS 246 Cb 0.56 0.00 0.22 0.00 0.12 0.00 0.00 29.99 30.88 3i58 n HIS 246 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3i58 n ASP 247 N -0.97 0.98 -4.29 4.39 8.00 0.38 -2.40 116.55 122.64 3i58 n ASP 247 Ca 0.14 -0.78 -0.25 0.00 0.71 0.00 0.00 54.79 54.61 3i58 n ASP 247 Cb 0.06 0.34 -0.13 0.00 -0.02 0.00 0.00 41.12 41.37 3i58 n ASP 247 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 3i58 s TRP 248 N -2.73 1.89 1.11 1.24 0.52 -0.70 -4.20 118.94 116.07 3i58 s TRP 248 Ca 0.17 -0.40 -0.15 0.00 0.02 0.00 0.00 56.10 55.74 3i58 s TRP 248 Cb 0.18 -1.06 0.24 0.00 -1.15 0.00 0.00 33.47 31.69 3i58 s TRP 248 CO 0.63 0.19 1.07 0.16 0.02 0.00 0.00 176.95 179.03 3i58 s ASP 249 N -1.72 1.63 0.26 2.95 1.47 -1.25 -4.26 116.67 115.75 3i58 s ASP 249 Ca 0.08 1.07 -0.02 0.00 1.18 0.00 0.00 52.55 54.86 3i58 s ASP 249 Cb -0.10 -1.65 0.47 0.00 -0.34 0.00 0.00 42.92 41.31 3i58 s ASP 249 CO 0.04 -3.74 1.79 0.44 0.68 0.00 0.00 175.17 174.39 3i58 h ASP 250 N -2.31 0.65 0.40 2.11 3.32 -1.95 -1.05 116.42 117.59 3i58 h ASP 250 Ca -0.54 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 56.56 3i58 h ASP 250 Cb 1.33 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.83 3i58 h ASP 250 CO 0.50 0.33 -0.19 -0.07 -1.72 0.00 0.00 179.24 178.08 3i58 h LEU 251 N 0.75 -0.46 -0.57 1.55 3.38 -2.00 -2.04 115.31 115.91 3i58 h LEU 251 Ca 0.44 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.36 3i58 h LEU 251 Cb 0.50 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.34 3i58 h LEU 251 CO -0.30 -0.25 0.33 0.28 0.09 0.00 0.00 178.44 178.59 3i58 h SER 252 N -0.64 0.69 -0.77 -0.43 0.02 -1.89 -1.44 113.55 109.09 3i58 h SER 252 Ca -0.06 -0.07 0.10 0.00 -0.84 0.00 0.00 61.79 60.92 3i58 h SER 252 Cb 0.47 -0.18 -0.07 0.00 0.14 0.00 0.00 62.40 62.76 3i58 h SER 252 CO 0.09 0.56 0.41 0.00 -1.14 0.00 0.00 176.83 176.76 3i58 h ALA 253 N 1.16 1.09 -0.36 3.77 0.00 -1.13 0.00 119.26 123.79 3i58 h ALA 253 Ca 0.20 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 3i58 h ALA 253 Cb 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3i58 h ALA 253 CO -0.04 0.02 0.10 0.28 0.00 0.00 0.00 179.25 179.60 3i58 h VAL 254 N 0.69 1.22 -0.22 0.00 2.07 -0.85 -0.30 116.25 118.87 3i58 h VAL 254 Ca 0.38 -0.74 0.06 0.00 0.82 0.00 0.00 66.70 67.22 3i58 h VAL 254 Cb 0.39 1.02 -0.07 0.00 -1.52 0.00 0.00 31.29 31.11 3i58 h VAL 254 CO -0.27 0.25 -0.24 0.00 0.02 0.00 0.00 177.57 177.34 3i58 h ALA 255 N 0.94 -0.14 -0.27 1.67 0.00 -0.16 0.19 119.26 121.49 3i58 h ALA 255 Ca 0.11 0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.13 3i58 h ALA 255 Cb 0.29 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 18.53 3i58 h ALA 255 CO -0.00 -0.67 0.05 0.82 0.00 0.00 0.00 179.25 179.45 3i58 h ILE 256 N -0.26 0.87 -0.83 0.00 2.04 -0.83 -2.16 117.51 116.34 3i58 h ILE 256 Ca 0.13 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.94 3i58 h ILE 256 Cb 0.45 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 3i58 h ILE 256 CO -0.36 0.03 0.53 -0.07 0.00 0.00 0.00 178.15 178.27 3i58 h LEU 257 N 0.15 0.97 0.41 1.44 3.38 -0.32 -2.57 115.31 118.76 3i58 h LEU 257 Ca 0.12 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3i58 h LEU 257 Cb 0.13 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3i58 h LEU 257 CO -0.17 0.72 -0.36 0.03 0.09 0.00 0.00 178.44 178.76 3i58 h ARG 258 N 1.13 -0.74 -0.68 1.13 3.08 -0.05 0.69 114.38 118.94 3i58 h ARG 258 Ca 0.30 0.05 0.15 0.00 0.07 0.00 0.00 59.98 60.55 3i58 h ARG 258 Cb -0.09 0.17 -0.12 0.00 0.08 0.00 0.00 29.97 30.01 3i58 h ARG 258 CO -0.06 -0.49 -0.03 0.00 -1.07 0.00 0.00 179.97 178.31 3i58 h ARG 259 N -0.77 0.08 -0.87 0.04 2.47 -1.17 0.49 114.38 114.66 3i58 h ARG 259 Ca -0.03 -0.01 -0.03 0.00 -1.26 0.00 0.00 59.98 58.65 3i58 h ARG 259 Cb 0.68 -0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.94 3i58 h ARG 259 CO -0.03 0.06 0.44 0.00 0.56 0.00 0.00 179.97 180.99 3i58 h ALA 261 N 1.24 -0.24 -0.22 0.00 0.00 0.22 0.83 119.26 121.08 3i58 h ALA 261 Ca 0.30 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.21 3i58 h ALA 261 Cb 0.09 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 3i58 h ALA 261 CO -0.04 -0.65 -0.00 0.93 0.00 0.00 0.00 179.25 179.48 3i58 h GLU 262 N -0.27 0.06 0.00 0.00 5.08 -0.10 -0.25 114.58 119.11 3i58 h GLU 262 Ca 0.00 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 3i58 h GLU 262 Cb 0.26 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3i58 h GLU 262 CO -0.03 0.04 -0.22 0.00 -1.00 0.00 0.00 179.01 177.80 3i58 h ALA 263 N 1.19 1.52 0.00 3.43 0.00 -0.71 -2.79 119.26 121.91 3i58 h ALA 263 Ca 0.10 -0.20 -0.20 0.00 0.00 0.00 0.00 54.91 54.62 3i58 h ALA 263 Cb 0.13 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3i58 h ALA 263 CO -0.18 0.27 -0.98 0.00 0.00 0.00 0.00 179.25 178.36 3i58 h ALA 264 N 1.78 0.46 -0.87 0.00 0.00 -0.14 -0.60 119.26 119.89 3i58 h ALA 264 Ca -0.00 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.04 3i58 h ALA 264 Cb 0.42 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3i58 h ALA 264 CO 0.03 1.15 0.00 0.41 0.00 0.00 0.00 179.25 180.84 3i58 n GLY 265 N 1.35 0.93 0.24 0.00 0.00 -0.17 -0.27 105.19 107.27 3i58 n GLY 265 Ca -0.01 -0.76 0.03 0.00 0.00 0.00 0.00 46.02 45.28 3i58 n GLY 265 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i58 n SER 266 N -3.13 0.71 0.00 1.61 3.41 -1.26 -3.92 113.62 111.04 3i58 n SER 266 Ca 0.00 -1.94 0.00 0.00 -0.26 0.00 0.00 58.87 56.67 3i58 n SER 266 Cb 0.00 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 3i58 n SER 266 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i58 n GLY 267 N 0.74 0.58 4.00 5.00 0.00 -1.15 -4.99 105.19 109.37 3i58 n GLY 267 Ca 0.06 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.90 3i58 n GLY 267 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i58 s GLY 268 N -0.27 1.88 -0.08 -0.02 0.00 0.63 -4.92 107.32 104.54 3i58 s GLY 268 Ca 0.00 -1.58 0.03 0.00 0.00 0.00 0.00 44.72 43.17 3i58 s GLY 268 CO 0.00 -1.39 -0.17 0.54 0.00 0.00 0.00 173.10 172.08 3i58 s VAL 269 N -2.40 1.53 -0.21 1.40 0.11 -0.67 -4.68 120.40 115.48 3i58 s VAL 269 Ca 0.54 -0.70 -0.15 0.00 -2.93 0.00 0.00 61.98 58.74 3i58 s VAL 269 Cb -0.10 -1.36 -0.04 0.00 -1.53 0.00 0.00 36.38 33.35 3i58 s VAL 269 CO 0.34 0.44 0.37 -0.69 -3.33 0.00 0.00 175.10 172.23 3i58 s VAL 270 N 0.60 5.21 -0.24 2.04 1.01 -0.47 -1.32 120.40 127.24 3i58 s VAL 270 Ca -0.15 0.64 -0.01 0.00 0.00 0.00 0.00 61.98 62.46 3i58 s VAL 270 Cb -0.16 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.54 3i58 s VAL 270 CO 0.05 0.25 -0.08 -0.76 0.00 0.00 0.00 175.10 174.55 3i58 s LEU 271 N 1.38 3.04 -0.25 3.92 1.02 0.43 0.20 118.68 128.41 3i58 s LEU 271 Ca 0.17 -0.84 -0.13 0.00 0.02 0.00 0.00 54.13 53.35 3i58 s LEU 271 Cb -0.15 -1.64 -0.04 0.00 0.02 0.00 0.00 46.19 44.38 3i58 s LEU 271 CO 0.08 -0.11 0.28 -0.69 0.02 0.00 0.00 176.35 175.93 3i58 s VAL 272 N 1.32 5.26 -0.29 -1.59 1.01 -0.11 -0.56 120.40 125.44 3i58 s VAL 272 Ca 0.01 0.39 0.01 0.00 0.00 0.00 0.00 61.98 62.39 3i58 s VAL 272 Cb -0.16 -3.61 0.06 0.00 0.00 0.00 0.00 36.38 32.67 3i58 s VAL 272 CO -0.06 0.25 -0.04 -0.63 0.00 0.00 0.00 175.10 174.62 3i58 s ILE 273 N 1.60 2.54 -0.11 2.22 1.01 -0.33 -0.33 121.20 127.80 3i58 s ILE 273 Ca 0.12 -1.61 -0.31 0.00 0.00 0.00 0.00 60.65 58.86 3i58 s ILE 273 Cb -0.15 -2.52 0.12 0.00 0.01 0.00 0.00 42.46 39.92 3i58 s ILE 273 CO 0.08 -0.13 1.01 -1.83 0.00 0.00 0.00 174.94 174.08 3i58 s GLU 274 N 1.15 0.61 -0.24 2.79 -1.05 -1.04 -0.72 118.70 120.19 3i58 s GLU 274 Ca -0.05 -0.10 -0.29 0.00 -0.15 0.00 0.00 54.97 54.38 3i58 s GLU 274 Cb -0.20 0.28 -0.03 0.00 -0.44 0.00 0.00 34.13 33.74 3i58 s GLU 274 CO -0.04 -0.24 1.85 0.00 0.95 0.00 0.00 175.26 177.79 3i58 s ALA 275 N -2.21 3.02 0.47 -0.84 0.00 -1.26 -3.20 121.76 117.73 3i58 s ALA 275 Ca 0.04 0.53 -0.02 0.00 0.00 0.00 0.00 51.96 52.50 3i58 s ALA 275 Cb -0.01 -3.97 -0.02 0.00 0.00 0.00 0.00 23.12 19.13 3i58 s ALA 275 CO -0.04 -2.37 0.72 0.14 0.00 0.00 0.00 175.76 174.20 3i58 s VAL 276 N 6.50 4.38 0.13 0.00 -7.23 -1.26 -4.70 120.40 118.21 3i58 s VAL 276 Ca 0.83 -0.22 -0.35 0.00 -1.81 0.00 0.00 61.98 60.43 3i58 s VAL 276 Cb -0.27 -3.65 -0.16 0.00 0.56 0.00 0.00 36.38 32.86 3i58 s VAL 276 CO 0.33 -0.54 1.26 0.00 -0.31 0.00 0.00 175.10 175.85 3i58 n ALA 277 N -2.17 -0.82 0.00 1.32 0.00 -0.51 -1.14 120.51 117.19 3i58 n ALA 277 Ca 0.01 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3i58 n ALA 277 Cb 0.57 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.96 3i58 n ALA 277 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i58 n GLY 278 N 2.29 2.89 3.51 0.00 0.00 -1.26 -4.84 105.19 107.78 3i58 n GLY 278 Ca 0.17 -0.76 -0.34 0.00 0.00 0.00 0.00 46.02 45.09 3i58 n GLY 278 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3i58 n ASP 279 N 1.54 -0.95 -4.89 1.61 8.00 -0.29 -4.96 116.55 116.61 3i58 n ASP 279 Ca 0.00 0.48 -0.29 0.00 0.71 0.00 0.00 54.79 55.69 3i58 n ASP 279 Cb 0.00 -1.29 0.09 0.00 -0.02 0.00 0.00 41.12 39.90 3i58 n ASP 279 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3i58 s GLU 280 N -3.51 1.96 -0.61 -1.24 2.02 -1.21 -3.31 118.70 112.81 3i58 s GLU 280 Ca 0.64 0.16 0.00 0.00 0.02 0.00 0.00 54.97 55.79 3i58 s GLU 280 Cb -0.27 -1.95 0.00 0.00 0.10 0.00 0.00 34.13 32.01 3i58 s GLU 280 CO 0.60 -1.61 0.00 0.72 0.02 0.00 0.00 175.26 174.99 3i58 n HIS 281 N -3.33 0.00 -4.15 1.61 8.25 -1.26 -4.55 115.22 111.78 3i58 n HIS 281 Ca 0.08 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.31 3i58 n HIS 281 Cb 0.60 -2.06 -0.17 0.00 1.12 0.00 0.00 29.99 29.49 3i58 n HIS 281 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i58 s ALA 282 N -1.67 0.93 0.36 -1.41 0.00 -1.21 -4.89 121.76 113.86 3i58 s ALA 282 Ca 0.00 -0.24 -0.17 0.00 0.00 0.00 0.00 51.96 51.55 3i58 s ALA 282 Cb 0.00 -0.59 0.05 0.00 0.00 0.00 0.00 23.12 22.57 3i58 s ALA 282 CO 0.00 -0.13 0.78 0.20 0.00 0.00 0.00 175.76 176.61 3i58 s GLY 283 N 1.16 0.25 0.48 0.00 0.00 -1.26 -4.80 107.32 103.15 3i58 s GLY 283 Ca -0.07 -0.63 0.24 0.00 0.00 0.00 0.00 44.72 44.26 3i58 s GLY 283 CO -0.01 -0.21 1.98 -0.91 0.00 0.00 0.00 173.10 173.95 3i58 h THR 284 N 2.00 0.70 -0.00 0.90 1.35 -2.00 -1.17 112.91 114.68 3i58 h THR 284 Ca -0.29 -0.77 -0.00 0.00 -0.55 0.00 0.00 66.41 64.80 3i58 h THR 284 Cb 1.25 1.48 -0.00 0.00 -1.73 0.00 0.00 68.15 69.15 3i58 h THR 284 CO 0.36 0.18 0.00 1.23 -0.25 0.00 0.00 175.52 177.04 3i58 h GLY 285 N 1.11 0.00 1.28 5.82 0.00 -1.99 -0.92 103.07 108.36 3i58 h GLY 285 Ca -0.00 -0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.28 3i58 h GLY 285 CO 0.02 0.00 0.21 1.98 0.00 0.00 0.00 176.54 178.76 3i58 h MET 286 N -0.20 0.92 -0.68 4.80 -1.53 -1.82 -1.30 114.93 115.12 3i58 h MET 286 Ca 0.00 -0.16 -0.02 0.00 -3.44 0.00 0.00 59.70 56.07 3i58 h MET 286 Cb 0.20 -0.15 -0.03 0.00 -0.55 0.00 0.00 31.60 31.07 3i58 h MET 286 CO -0.00 0.78 0.33 0.22 0.14 0.00 0.00 176.91 178.38 3i58 h ASP 287 N 0.90 0.88 0.42 1.39 3.58 -0.95 -0.15 116.42 122.48 3i58 h ASP 287 Ca 0.21 -0.12 -0.11 0.00 0.42 0.00 0.00 57.03 57.42 3i58 h ASP 287 Cb 0.22 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 3i58 h ASP 287 CO -0.01 0.75 -0.49 -0.07 -2.88 0.00 0.00 179.24 176.54 3i58 h LEU 288 N 0.93 0.08 -0.41 2.28 3.38 -0.76 -2.13 115.31 118.69 3i58 h LEU 288 Ca 0.23 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 3i58 h LEU 288 Cb 0.10 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3i58 h LEU 288 CO -0.03 0.56 0.01 -0.09 0.09 0.00 0.00 178.44 178.98 3i58 h ARG 289 N 0.06 0.71 -0.51 1.13 2.43 -0.55 -0.53 114.38 117.13 3i58 h ARG 289 Ca 0.00 -0.22 -0.04 0.00 -0.81 0.00 0.00 59.98 58.91 3i58 h ARG 289 Cb 0.89 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.34 3i58 h ARG 289 CO 0.07 0.79 0.17 0.52 -1.51 0.00 0.00 179.97 180.00 3i58 h MET 290 N 0.55 0.75 -0.17 0.20 2.86 -0.82 -1.09 114.93 117.21 3i58 h MET 290 Ca 0.12 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 3i58 h MET 290 Cb 0.46 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 3i58 h MET 290 CO 0.02 0.64 -0.05 1.25 1.06 0.00 0.00 176.91 179.83 3i58 h LEU 291 N 0.73 0.34 -0.74 1.22 5.85 -1.02 -1.48 115.31 120.21 3i58 h LEU 291 Ca 0.17 -0.38 -0.08 0.00 0.84 0.00 0.00 57.88 58.43 3i58 h LEU 291 Cb 0.20 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 3i58 h LEU 291 CO -0.01 0.64 -0.40 0.71 -0.34 0.00 0.00 178.44 179.04 3i58 h THR 292 N 0.04 0.87 0.04 1.05 1.35 -0.87 -0.89 112.91 114.50 3i58 h THR 292 Ca 0.04 -1.67 -0.00 0.00 -0.55 0.00 0.00 66.41 64.23 3i58 h THR 292 Cb 0.50 2.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 3i58 h THR 292 CO 0.02 0.39 -0.02 1.88 -0.25 0.00 0.00 175.52 177.54 3i58 h TYR 293 N 0.00 -0.05 0.00 4.73 -1.99 -1.21 0.15 116.97 118.60 3i58 h TYR 293 Ca -0.00 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.72 3i58 h TYR 293 Cb 1.00 0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.75 3i58 h TYR 293 CO 0.00 0.37 0.00 1.19 -0.00 0.00 0.00 178.16 179.72 3i58 n PHE 294 N -4.76 0.00 -1.32 4.88 3.01 -0.83 -4.50 117.46 113.95 3i58 n PHE 294 Ca -0.05 -0.12 -0.05 0.00 1.01 0.00 0.00 57.45 58.24 3i58 n PHE 294 Cb 0.21 -0.01 -0.02 0.00 -0.01 0.00 0.00 39.48 39.65 3i58 n PHE 294 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i58 n GLY 295 N -0.12 0.67 0.00 1.37 0.00 -0.34 -4.61 105.19 102.16 3i58 n GLY 295 Ca 0.00 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.22 3i58 n GLY 295 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i58 n GLY 296 N -2.12 0.41 3.52 -0.02 0.00 -0.62 -3.80 105.19 102.56 3i58 n GLY 296 Ca -0.05 -1.86 -0.09 0.00 0.00 0.00 0.00 46.02 44.02 3i58 n GLY 296 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i58 s LYS 297 N -0.66 0.78 0.19 1.61 -2.85 -1.01 -3.21 119.74 114.59 3i58 s LYS 297 Ca 0.00 -0.17 -0.26 0.00 -1.00 0.00 0.00 55.97 54.54 3i58 s LYS 297 Cb 0.00 0.36 -0.08 0.00 -2.06 0.00 0.00 37.83 36.05 3i58 s LYS 297 CO 0.00 -0.32 0.81 -1.21 0.10 0.00 0.00 175.35 174.74 3i58 s GLU 298 N -2.57 4.62 0.28 1.78 0.41 -1.26 -4.37 118.70 117.59 3i58 s GLU 298 Ca 0.03 1.22 0.08 0.00 -0.41 0.00 0.00 54.97 55.89 3i58 s GLU 298 Cb -0.01 -3.24 -0.06 0.00 -1.78 0.00 0.00 34.13 29.04 3i58 s GLU 298 CO -0.06 0.55 -0.09 1.03 -0.49 0.00 0.00 175.26 176.20 3i58 s ARG 299 N -1.20 1.59 0.44 1.61 0.52 -1.26 -4.90 118.95 115.75 3i58 s ARG 299 Ca 0.37 -1.79 0.05 0.00 -0.52 0.00 0.00 55.73 53.85 3i58 s ARG 299 Cb -0.23 -1.32 0.01 0.00 0.52 0.00 0.00 34.95 33.92 3i58 s ARG 299 CO 0.27 0.11 0.62 -1.54 0.02 0.00 0.00 175.30 174.78 3i58 s SER 300 N -3.47 5.63 0.23 0.23 1.04 -1.26 -1.43 113.70 114.67 3i58 s SER 300 Ca 0.29 -0.20 -0.06 0.00 0.48 0.00 0.00 55.95 56.46 3i58 s SER 300 Cb 0.02 -0.90 0.34 0.00 0.10 0.00 0.00 66.02 65.58 3i58 s SER 300 CO 0.12 -0.80 1.80 -0.07 0.98 0.00 0.00 173.24 175.28 3i58 h LEU 301 N 0.51 0.57 -0.13 2.42 -0.00 -1.96 0.32 115.31 117.04 3i58 h LEU 301 Ca -0.42 0.05 0.04 0.00 -0.00 0.00 0.00 57.88 57.55 3i58 h LEU 301 Cb 1.28 -0.06 -0.05 0.00 -0.00 0.00 0.00 40.66 41.83 3i58 h LEU 301 CO 0.49 0.33 -0.19 0.00 -0.00 0.00 0.00 178.44 179.08 3i58 h ALA 302 N 1.42 -0.13 -0.86 1.53 0.00 -1.99 -0.88 119.26 118.35 3i58 h ALA 302 Ca 0.36 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.29 3i58 h ALA 302 Cb 0.33 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 3i58 h ALA 302 CO -0.24 -0.65 0.43 0.93 0.00 0.00 0.00 179.25 179.72 3i58 h GLU 303 N -0.24 1.23 -0.59 0.00 5.08 -1.49 -2.34 114.58 116.23 3i58 h GLU 303 Ca 0.10 -0.17 -0.09 0.00 -1.00 0.00 0.00 59.36 58.20 3i58 h GLU 303 Cb 0.39 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3i58 h GLU 303 CO -0.27 0.93 0.03 -0.07 -1.00 0.00 0.00 179.01 178.63 3i58 h LEU 304 N 1.22 0.98 -0.98 1.33 3.38 -0.72 -2.84 115.31 117.67 3i58 h LEU 304 Ca 0.30 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 58.05 3i58 h LEU 304 Cb 0.10 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.53 3i58 h LEU 304 CO -0.04 1.02 0.64 1.23 0.09 0.00 0.00 178.44 181.38 3i58 h GLY 305 N 1.01 1.44 1.94 0.83 0.00 -0.76 0.24 103.07 107.78 3i58 h GLY 305 Ca 0.17 -0.49 -0.07 0.00 0.00 0.00 0.00 47.33 46.95 3i58 h GLY 305 CO 0.02 0.41 -0.32 -2.09 0.00 0.00 0.00 176.54 174.56 3i58 h GLU 306 N 1.23 0.07 0.01 4.80 4.81 -1.21 -0.80 114.58 123.49 3i58 h GLU 306 Ca 0.39 -0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 59.43 3i58 h GLU 306 Cb 0.02 -0.01 0.01 0.00 0.63 0.00 0.00 28.75 29.41 3i58 h GLU 306 CO -0.13 0.38 -0.68 -0.07 -0.73 0.00 0.00 179.01 177.78 3i58 h LEU 307 N 0.06 0.59 -1.00 1.64 3.38 -1.02 -2.66 115.31 116.29 3i58 h LEU 307 Ca 0.01 -0.77 0.06 0.00 0.09 0.00 0.00 57.88 57.27 3i58 h LEU 307 Cb 0.59 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.10 3i58 h LEU 307 CO 0.04 1.28 0.65 0.00 0.09 0.00 0.00 178.44 180.50 3i58 h ALA 308 N 0.32 1.38 0.10 1.53 0.00 -0.30 -1.60 119.26 120.69 3i58 h ALA 308 Ca -0.09 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.80 3i58 h ALA 308 Cb 1.39 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3i58 h ALA 308 CO 0.13 0.46 -0.10 0.00 0.00 0.00 0.00 179.25 179.74 3i58 h ALA 309 N 1.45 -0.20 0.00 0.00 0.00 -1.03 0.66 119.26 120.14 3i58 h ALA 309 Ca 0.43 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.31 3i58 h ALA 309 Cb 0.14 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3i58 h ALA 309 CO -0.17 -0.63 0.00 1.04 0.00 0.00 0.00 179.25 179.50 3i58 n GLN 310 N -5.22 0.16 -0.26 0.00 6.02 -0.64 -1.10 117.38 116.33 3i58 n GLN 310 Ca -0.07 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 56.97 3i58 n GLN 310 Cb 0.14 -1.41 0.07 0.00 1.02 0.00 0.00 30.24 30.06 3i58 n GLN 310 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i58 n ALA 311 N -0.91 2.10 -1.66 -1.58 0.00 -0.01 -4.96 120.51 113.48 3i58 n ALA 311 Ca 0.03 -1.78 -0.13 0.00 0.00 0.00 0.00 53.44 51.56 3i58 n ALA 311 Cb 0.01 -0.41 -0.04 0.00 0.00 0.00 0.00 19.45 19.01 3i58 n ALA 311 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i58 n GLY 312 N -0.72 0.91 3.66 0.00 0.00 -0.26 -4.67 105.19 104.11 3i58 n GLY 312 Ca 0.08 -0.37 -0.27 0.00 0.00 0.00 0.00 46.02 45.45 3i58 n GLY 312 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i58 s LEU 313 N -3.31 2.91 -0.22 0.99 1.43 0.21 -1.84 118.68 118.85 3i58 s LEU 313 Ca 0.00 -1.31 -0.14 0.00 -1.03 0.00 0.00 54.13 51.65 3i58 s LEU 313 Cb 0.00 -1.03 0.07 0.00 0.03 0.00 0.00 46.19 45.26 3i58 s LEU 313 CO 0.00 -0.50 0.54 0.00 0.23 0.00 0.00 176.35 176.62 3i58 s ALA 314 N -2.69 -1.40 0.23 4.21 0.00 -0.18 -2.94 121.76 118.99 3i58 s ALA 314 Ca 0.35 1.85 -0.31 0.00 0.00 0.00 0.00 51.96 53.85 3i58 s ALA 314 Cb 0.08 -1.10 -0.11 0.00 0.00 0.00 0.00 23.12 21.99 3i58 s ALA 314 CO 0.18 -0.30 1.56 0.08 0.00 0.00 0.00 175.76 177.28 3i58 s VAL 315 N 1.26 2.40 -0.04 0.00 1.01 -1.26 -2.24 120.40 121.53 3i58 s VAL 315 Ca -0.08 0.31 0.05 0.00 0.00 0.00 0.00 61.98 62.26 3i58 s VAL 315 Cb -0.06 -3.20 -0.07 0.00 0.00 0.00 0.00 36.38 33.05 3i58 s VAL 315 CO -0.13 0.04 0.04 0.54 0.00 0.00 0.00 175.10 175.59 3i58 n ARG 316 N 3.06 2.51 -3.96 2.72 5.12 0.15 -4.95 116.66 121.32 3i58 n ARG 316 Ca 0.11 -0.01 -0.09 0.00 -1.93 0.00 0.00 57.85 55.92 3i58 n ARG 316 Cb 0.38 -1.14 -0.03 0.00 -1.16 0.00 0.00 32.46 30.51 3i58 n ARG 316 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i58 s ALA 317 N -2.18 -0.41 -0.42 7.54 0.00 -1.14 -5.02 121.76 120.14 3i58 s ALA 317 Ca -0.03 -0.81 0.04 0.00 0.00 0.00 0.00 51.96 51.17 3i58 s ALA 317 Cb 0.02 0.98 0.19 0.00 0.00 0.00 0.00 23.12 24.31 3i58 s ALA 317 CO 0.22 -0.91 0.76 0.00 0.00 0.00 0.00 175.76 175.83 3i58 s ALA 318 N -3.68 -2.80 -0.09 0.00 0.00 -1.25 -2.15 121.76 111.78 3i58 s ALA 318 Ca 0.20 0.25 -0.24 0.00 0.00 0.00 0.00 51.96 52.18 3i58 s ALA 318 Cb -0.02 -2.80 -0.03 0.00 0.00 0.00 0.00 23.12 20.27 3i58 s ALA 318 CO 0.10 -2.29 0.72 -1.01 0.00 0.00 0.00 175.76 173.28 3i58 s HIS 319 N 1.55 3.54 0.15 0.00 3.76 -0.81 -4.83 115.29 118.65 3i58 s HIS 319 Ca 0.20 1.23 -0.25 0.00 -0.15 0.00 0.00 55.06 56.09 3i58 s HIS 319 Cb -0.01 -2.84 -0.08 0.00 1.11 0.00 0.00 32.58 30.77 3i58 s HIS 319 CO -0.08 0.01 0.77 -1.25 -0.85 0.00 0.00 174.74 173.34 3i58 s PRO 320 N 1.11 4.55 -0.09 8.40 0.04 -1.26 -0.74 135.00 147.00 3i58 s PRO 320 Ca 0.37 1.14 -0.02 0.00 0.04 0.00 0.00 61.00 62.53 3i58 s PRO 320 Cb -0.17 -3.27 0.03 0.00 0.04 0.00 0.00 34.50 31.13 3i58 s PRO 320 CO 0.17 0.56 0.02 0.96 0.04 0.00 0.00 177.00 178.74 3i58 s ILE 321 N -1.07 0.34 0.00 0.56 -5.25 0.67 -4.94 121.20 111.50 3i58 s ILE 321 Ca 0.36 0.02 0.00 0.00 -0.99 0.00 0.00 60.65 60.03 3i58 s ILE 321 Cb -0.23 -0.59 0.00 0.00 2.95 0.00 0.00 42.46 44.59 3i58 s ILE 321 CO 0.26 0.15 0.00 -0.24 -1.79 0.00 0.00 174.94 173.32 3i58 n SER 322 N 5.15 0.00 -0.77 4.36 2.88 -1.26 -1.13 113.62 122.85 3i58 n SER 322 Ca -0.07 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.52 3i58 n SER 322 Cb 0.49 0.00 0.16 0.00 -0.75 0.00 0.00 64.21 64.12 3i58 n SER 322 CO 0.00 0.00 0.00 -1.22 -1.23 0.00 0.00 175.04 172.59 3i58 n TYR 323 N 14.00 0.59 -4.29 0.66 4.02 -1.25 -4.90 117.16 125.99 3i58 n TYR 323 Ca 0.00 -0.26 -0.15 0.00 -0.01 0.00 0.00 57.90 57.48 3i58 n TYR 323 Cb 0.00 -0.07 -0.04 0.00 -0.02 0.00 0.00 39.34 39.21 3i58 n TYR 323 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 3i58 n VAL 324 N 0.49 0.00 -4.11 -0.72 0.31 -0.29 -3.32 118.33 110.69 3i58 n VAL 324 Ca 0.12 -1.45 -0.10 0.00 -0.01 0.00 0.00 64.34 62.90 3i58 n VAL 324 Cb 0.39 0.55 -0.10 0.00 -0.91 0.00 0.00 33.84 33.76 3i58 n VAL 324 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3i58 s SER 325 N -2.51 0.81 -0.25 4.52 0.01 -1.19 -0.24 113.70 114.84 3i58 s SER 325 Ca 0.14 -0.90 -0.02 0.00 1.31 0.00 0.00 55.95 56.49 3i58 s SER 325 Cb 0.01 0.12 0.03 0.00 0.21 0.00 0.00 66.02 66.39 3i58 s SER 325 CO 0.10 -0.46 -0.06 -0.63 0.41 0.00 0.00 173.24 172.60 3i58 s ILE 326 N -3.21 2.87 -0.38 1.44 1.01 0.08 -2.49 121.20 120.51 3i58 s ILE 326 Ca 0.05 -1.08 -0.13 0.00 0.00 0.00 0.00 60.65 59.49 3i58 s ILE 326 Cb 0.03 -2.48 0.01 0.00 0.01 0.00 0.00 42.46 40.03 3i58 s ILE 326 CO -0.05 0.16 0.26 -0.69 0.00 0.00 0.00 174.94 174.61 3i58 s VAL 327 N 1.31 5.03 -0.33 2.92 1.01 0.55 -1.92 120.40 128.97 3i58 s VAL 327 Ca -0.01 -0.64 -0.20 0.00 0.00 0.00 0.00 61.98 61.14 3i58 s VAL 327 Cb -0.17 -3.76 -0.00 0.00 0.00 0.00 0.00 36.38 32.45 3i58 s VAL 327 CO -0.04 -0.22 0.61 -0.70 0.00 0.00 0.00 175.10 174.75 3i58 s GLU 328 N 1.65 3.78 0.20 2.72 2.12 -0.92 -0.93 118.70 127.32 3i58 s GLU 328 Ca 0.04 0.14 0.08 0.00 0.36 0.00 0.00 54.97 55.59 3i58 s GLU 328 Cb -0.19 -3.77 -0.04 0.00 0.26 0.00 0.00 34.13 30.39 3i58 s GLU 328 CO 0.09 -0.64 0.00 -1.64 -0.54 0.00 0.00 175.26 172.53 3i58 s MET 329 N 2.62 2.38 0.11 4.30 -1.94 0.13 -0.67 119.30 126.23 3i58 s MET 329 Ca 0.24 -1.19 -0.05 0.00 -1.71 0.00 0.00 55.69 52.97 3i58 s MET 329 Cb -0.15 -2.31 -0.02 0.00 2.01 0.00 0.00 34.83 34.37 3i58 s MET 329 CO 0.13 0.43 0.13 0.99 -0.01 0.00 0.00 175.02 176.69 3i58 s THR 330 N -1.90 0.14 0.61 2.05 2.01 -0.95 -1.36 115.64 116.23 3i58 s THR 330 Ca 0.29 -1.53 -0.18 0.00 0.31 0.00 0.00 61.69 60.58 3i58 s THR 330 Cb -0.08 -1.64 -0.03 0.00 0.01 0.00 0.00 72.50 70.75 3i58 s THR 330 CO 0.19 -0.61 1.17 0.00 -0.69 0.00 0.00 174.62 174.67 3i58 s ALA 331 N -3.94 2.52 -2.00 7.40 0.00 -1.26 -1.01 121.76 123.47 3i58 s ALA 331 Ca 0.12 0.86 0.28 0.00 0.00 0.00 0.00 51.96 53.22 3i58 s ALA 331 Cb 0.06 -3.41 1.67 0.00 0.00 0.00 0.00 23.12 21.45 3i58 s ALA 331 CO -0.06 -1.16 2.02 1.28 0.00 0.00 0.00 175.76 177.84