#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i64 n ALA 6 N 0.00 0.00 1.39 0.00 0.00 -1.26 -4.86 120.51 115.78 3i64 n ALA 6 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 3i64 n ALA 6 Cb 0.00 0.00 0.50 0.00 0.00 0.00 0.00 19.45 19.95 3i64 n ALA 6 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3i64 n HIS 7 N -2.36 0.00 -3.81 0.00 -0.00 -1.26 -4.85 115.22 102.95 3i64 n HIS 7 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.46 3i64 n HIS 7 Cb 0.00 -0.09 -0.03 0.00 -0.00 0.00 0.00 29.99 29.87 3i64 n HIS 7 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 176.34 177.30 3i64 s ILE 8 N -2.33 5.25 0.34 0.61 -0.00 -1.26 -5.03 121.20 118.78 3i64 s ILE 8 Ca 0.31 -0.57 -0.25 0.00 -0.00 0.00 0.00 60.65 60.14 3i64 s ILE 8 Cb 0.20 -3.76 -0.14 0.00 -0.00 0.00 0.00 42.46 38.76 3i64 s ILE 8 CO 0.45 -0.18 0.55 0.61 -0.00 0.00 0.00 174.94 176.37 3i64 n GLY 9 N -0.76 -1.52 0.29 6.27 0.00 -1.26 -4.54 105.19 103.67 3i64 n GLY 9 Ca -0.06 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3i64 n GLY 9 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3i64 h LEU 10 N 1.00 0.66 -1.23 0.99 5.85 -1.96 0.49 115.31 121.10 3i64 h LEU 10 Ca -0.36 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.33 3i64 h LEU 10 Cb 1.41 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.32 3i64 h LEU 10 CO 0.54 0.41 -0.09 0.03 -0.34 0.00 0.00 178.44 178.99 3i64 h ARG 11 N 0.79 0.42 -0.16 1.25 3.08 -1.97 -1.21 114.38 116.58 3i64 h ARG 11 Ca 0.35 -0.10 -0.08 0.00 0.07 0.00 0.00 59.98 60.21 3i64 h ARG 11 Cb 0.23 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 3i64 h ARG 11 CO -0.20 0.52 -0.23 0.00 -1.07 0.00 0.00 179.97 178.99 3i64 h ALA 12 N 1.52 0.24 -0.01 0.04 0.00 -1.36 0.22 119.26 119.91 3i64 h ALA 12 Ca 0.08 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3i64 h ALA 12 Cb 0.40 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3i64 h ALA 12 CO 0.02 0.20 0.01 1.25 0.00 0.00 0.00 179.25 180.73 3i64 h LEU 13 N 0.07 0.00 -1.16 0.00 5.85 0.30 -1.05 115.31 119.32 3i64 h LEU 13 Ca 0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3i64 h LEU 13 Cb 0.79 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.82 3i64 h LEU 13 CO 0.05 0.00 -0.34 0.00 -0.34 0.00 0.00 178.44 177.81 3i64 n ALA 14 N -2.33 3.23 -1.65 1.25 0.00 -0.49 -5.00 120.51 115.52 3i64 n ALA 14 Ca -0.03 -0.63 -0.44 0.00 0.00 0.00 0.00 53.44 52.34 3i64 n ALA 14 Cb 0.10 -0.73 -0.02 0.00 0.00 0.00 0.00 19.45 18.80 3i64 n ALA 14 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3i64 n ASP 15 N 0.23 2.19 -0.05 0.00 2.03 0.04 -4.92 116.55 116.07 3i64 n ASP 15 Ca 0.09 1.18 -0.06 0.00 0.52 0.00 0.00 54.79 56.52 3i64 n ASP 15 Cb 0.46 -1.39 -0.07 0.00 -0.72 0.00 0.00 41.12 39.40 3i64 n ASP 15 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3i64 n LEU 16 N 1.39 1.29 -0.24 -2.67 4.77 -1.26 -4.65 117.00 115.62 3i64 n LEU 16 Ca 0.09 -0.03 0.01 0.00 -0.03 0.00 0.00 56.01 56.05 3i64 n LEU 16 Cb 0.33 -0.05 0.09 0.00 -2.33 0.00 0.00 43.42 41.46 3i64 n LEU 16 CO 0.62 0.44 0.74 0.00 -1.33 0.00 0.00 177.39 177.86 3i64 h ALA 17 N 0.27 0.52 0.39 -1.18 0.00 -1.98 -1.27 119.26 116.01 3i64 h ALA 17 Ca -0.27 0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3i64 h ALA 17 Cb 1.53 0.51 0.00 0.00 0.00 0.00 0.00 17.79 19.84 3i64 h ALA 17 CO -0.01 -0.42 -0.19 1.15 0.00 0.00 0.00 179.25 179.78 3i64 h THR 18 N 0.02 0.58 -0.20 0.00 2.02 -1.99 0.73 112.91 114.07 3i64 h THR 18 Ca 0.35 -0.45 0.06 0.00 0.77 0.00 0.00 66.41 67.14 3i64 h THR 18 Cb 0.55 0.79 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 3i64 h THR 18 CO -0.71 0.08 0.14 1.55 0.37 0.00 0.00 175.52 176.95 3i64 h PRO 19 N -0.80 0.00 -0.05 6.66 0.13 -1.77 0.65 132.00 136.83 3i64 h PRO 19 Ca -0.05 -0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.82 3i64 h PRO 19 Cb 0.53 -0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.68 3i64 h PRO 19 CO 0.09 0.00 -0.96 1.98 -0.23 0.00 0.00 178.00 178.88 3i64 h MET 20 N 0.00 0.74 -0.48 0.86 4.05 -1.15 -2.36 114.93 116.58 3i64 h MET 20 Ca 0.09 -0.73 -0.05 0.00 -0.28 0.00 0.00 59.70 58.73 3i64 h MET 20 Cb 0.37 0.19 -0.02 0.00 -0.80 0.00 0.00 31.60 31.34 3i64 h MET 20 CO -0.00 1.31 0.08 0.00 0.23 0.00 0.00 176.91 178.53 3i64 h ALA 21 N 0.45 1.24 -0.21 0.39 0.00 0.58 -0.65 119.26 121.06 3i64 h ALA 21 Ca -0.11 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.53 3i64 h ALA 21 Cb 1.61 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 3i64 h ALA 21 CO 0.19 0.52 -0.13 0.28 0.00 0.00 0.00 179.25 180.11 3i64 h VAL 22 N 0.72 1.31 -0.27 0.00 2.07 -0.91 -1.99 116.25 117.17 3i64 h VAL 22 Ca 0.15 -1.24 -0.04 0.00 0.82 0.00 0.00 66.70 66.40 3i64 h VAL 22 Cb 0.32 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 3i64 h VAL 22 CO 0.00 0.38 -0.02 0.03 0.02 0.00 0.00 177.57 177.98 3i64 h ARG 23 N 0.16 0.41 -0.25 1.57 3.08 -1.14 -0.81 114.38 117.40 3i64 h ARG 23 Ca 0.04 -0.08 -0.18 0.00 0.07 0.00 0.00 59.98 59.83 3i64 h ARG 23 Cb 0.65 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.63 3i64 h ARG 23 CO 0.04 0.46 -0.57 0.28 -1.07 0.00 0.00 179.97 179.11 3i64 h VAL 24 N 0.40 1.29 -0.65 2.04 2.07 -1.04 -1.48 116.25 118.88 3i64 h VAL 24 Ca 0.09 -1.77 -0.02 0.00 0.82 0.00 0.00 66.70 65.81 3i64 h VAL 24 Cb 0.30 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 3i64 h VAL 24 CO 0.01 0.57 0.31 0.00 0.02 0.00 0.00 177.57 178.48 3i64 h ALA 25 N 0.76 0.84 -0.80 1.67 0.00 -0.78 -0.53 119.26 120.42 3i64 h ALA 25 Ca 0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 3i64 h ALA 25 Cb 1.16 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 3i64 h ALA 25 CO 0.12 0.40 0.47 0.00 0.00 0.00 0.00 179.25 180.25 3i64 h ALA 26 N 1.14 1.02 -0.05 0.00 0.00 -1.00 -0.32 119.26 120.05 3i64 h ALA 26 Ca 0.22 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 3i64 h ALA 26 Cb 0.12 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3i64 h ALA 26 CO -0.03 0.50 -0.48 1.15 0.00 0.00 0.00 179.25 180.39 3i64 h THR 27 N 1.10 1.35 -0.01 0.00 2.02 -0.56 -2.41 112.91 114.40 3i64 h THR 27 Ca 0.29 -1.69 0.00 0.00 0.77 0.00 0.00 66.41 65.78 3i64 h THR 27 Cb -0.02 1.85 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 3i64 h THR 27 CO -0.05 0.49 -0.21 0.18 0.37 0.00 0.00 175.52 176.30 3i64 n LEU 28 N -3.96 0.84 -3.79 2.58 4.77 -0.27 -4.91 117.00 112.25 3i64 n LEU 28 Ca -0.02 -0.17 -0.28 0.00 -0.03 0.00 0.00 56.01 55.51 3i64 n LEU 28 Cb 0.52 -0.14 0.05 0.00 -2.33 0.00 0.00 43.42 41.51 3i64 n LEU 28 CO 0.42 0.16 0.15 0.54 -1.33 0.00 0.00 177.39 177.33 3i64 n ARG 29 N -0.75 -6.39 -0.28 3.23 1.74 -0.17 -4.76 116.66 109.28 3i64 n ARG 29 Ca 0.13 0.68 -0.01 0.00 -0.77 0.00 0.00 57.85 57.88 3i64 n ARG 29 Cb 0.33 -5.62 0.11 0.00 -1.02 0.00 0.00 32.46 26.25 3i64 n ARG 29 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3i64 h VAL 30 N -2.30 1.05 -0.37 1.55 2.07 -1.73 -1.68 116.25 114.84 3i64 h VAL 30 Ca -0.58 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 66.64 3i64 h VAL 30 Cb 1.37 0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 3i64 h VAL 30 CO 0.63 0.16 0.25 0.00 0.02 0.00 0.00 177.57 178.63 3i64 h ALA 31 N 1.36 1.74 -0.21 1.67 0.00 -1.85 -1.13 119.26 120.85 3i64 h ALA 31 Ca 0.33 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 55.01 3i64 h ALA 31 Cb 0.11 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 17.76 3i64 h ALA 31 CO -0.15 0.24 -0.68 -0.44 0.00 0.00 0.00 179.25 178.22 3i64 h ASP 32 N 0.50 0.93 0.61 0.00 3.32 -1.61 -2.73 116.42 117.43 3i64 h ASP 32 Ca 0.14 -0.56 -0.09 0.00 0.02 0.00 0.00 57.03 56.55 3i64 h ASP 32 Cb -0.04 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 3i64 h ASP 32 CO -0.03 1.35 -0.41 0.45 -1.72 0.00 0.00 179.24 178.89 3i64 h HIS 33 N 0.58 0.00 0.01 4.55 3.86 -0.77 -0.25 115.15 123.13 3i64 h HIS 33 Ca -0.02 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 3i64 h HIS 33 Cb 1.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.76 3i64 h HIS 33 CO 0.08 0.41 -0.01 0.82 0.86 0.00 0.00 177.93 180.09 3i64 h ILE 34 N 0.00 1.46 -0.42 2.45 2.04 -1.22 0.27 117.51 122.09 3i64 h ILE 34 Ca -0.00 -1.49 -0.03 0.00 1.00 0.00 0.00 64.86 64.33 3i64 h ILE 34 Cb 0.82 2.46 -0.02 0.00 -0.74 0.00 0.00 36.82 39.33 3i64 h ILE 34 CO 0.05 0.38 0.13 0.00 0.00 0.00 0.00 178.15 178.71 3i64 h ALA 35 N 0.29 1.45 0.00 1.87 0.00 -1.44 -1.83 119.26 119.60 3i64 h ALA 35 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3i64 h ALA 35 Cb 0.64 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3i64 h ALA 35 CO 0.00 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.66 3i64 n ALA 36 N -2.47 2.29 0.00 0.00 0.00 -0.11 -4.87 120.51 115.34 3i64 n ALA 36 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.36 3i64 n ALA 36 Cb 0.17 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.35 3i64 n ALA 36 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i64 n GLY 37 N 0.33 0.96 3.59 0.00 0.00 -0.69 -5.03 105.19 104.35 3i64 n GLY 37 Ca 0.13 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 3i64 n GLY 37 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3i64 s HIS 38 N -1.38 2.53 -1.10 1.61 3.76 0.07 -4.86 115.29 115.93 3i64 s HIS 38 Ca 0.00 0.59 0.10 0.00 -0.15 0.00 0.00 55.06 55.60 3i64 s HIS 38 Cb 0.00 -4.41 0.04 0.00 1.11 0.00 0.00 32.58 29.32 3i64 s HIS 38 CO 0.00 -1.70 0.72 0.54 -0.85 0.00 0.00 174.74 173.45 3i64 n ARG 39 N 8.22 1.29 -4.64 1.40 1.74 -1.26 -3.28 116.66 120.13 3i64 n ARG 39 Ca 0.13 -0.85 -0.30 0.00 -0.77 0.00 0.00 57.85 56.06 3i64 n ARG 39 Cb 0.49 -1.14 -0.14 0.00 -1.02 0.00 0.00 32.46 30.66 3i64 n ARG 39 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3i64 s THR 40 N -1.11 2.33 0.25 0.55 -4.23 -1.26 0.18 115.64 112.35 3i64 s THR 40 Ca 0.10 -1.50 -0.13 0.00 -1.18 0.00 0.00 61.69 58.98 3i64 s THR 40 Cb 0.08 -1.98 0.33 0.00 1.34 0.00 0.00 72.50 72.28 3i64 s THR 40 CO 0.19 0.25 1.53 0.00 -0.54 0.00 0.00 174.62 176.04 3i64 n ALA 41 N 1.36 0.04 -0.32 3.99 0.00 -1.26 0.13 120.51 124.45 3i64 n ALA 41 Ca -0.17 1.02 0.09 0.00 0.00 0.00 0.00 53.44 54.38 3i64 n ALA 41 Cb 0.52 -0.53 0.25 0.00 0.00 0.00 0.00 19.45 19.70 3i64 n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i64 h ALA 42 N 1.62 1.40 0.18 0.00 0.00 -1.95 0.82 119.26 121.33 3i64 h ALA 42 Ca 0.40 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.38 3i64 h ALA 42 Cb 0.64 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.40 3i64 h ALA 42 CO -0.99 -0.07 -0.09 0.93 0.00 0.00 0.00 179.25 179.04 3i64 h GLU 43 N 0.68 -0.23 -0.93 0.00 5.08 -0.71 -2.63 114.58 115.83 3i64 h GLU 43 Ca 0.50 0.02 0.18 0.00 -1.00 0.00 0.00 59.36 59.06 3i64 h GLU 43 Cb 0.72 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.94 3i64 h GLU 43 CO -0.37 0.09 0.60 0.82 -1.00 0.00 0.00 179.01 179.15 3i64 h ILE 44 N -0.98 0.74 0.31 3.13 2.04 -0.95 0.42 117.51 122.22 3i64 h ILE 44 Ca -0.02 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 3i64 h ILE 44 Cb 0.43 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 3i64 h ILE 44 CO 0.04 0.11 -0.15 0.00 0.00 0.00 0.00 178.15 178.15 3i64 h ALA 45 N 1.61 -0.42 0.00 1.87 0.00 -0.91 0.15 119.26 121.56 3i64 h ALA 45 Ca 0.50 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 3i64 h ALA 45 Cb 0.95 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 3i64 h ALA 45 CO -0.24 -0.58 -0.15 0.66 0.00 0.00 0.00 179.25 178.94 3i64 h SER 46 N -0.74 0.00 -0.08 0.00 4.64 -0.98 1.69 113.55 118.08 3i64 h SER 46 Ca -0.04 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.09 3i64 h SER 46 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3i64 h SER 46 CO 0.07 0.15 -0.63 0.00 -0.87 0.00 0.00 176.83 175.55 3i64 h ALA 47 N 1.85 0.52 0.00 5.18 0.00 0.01 -3.26 119.26 123.56 3i64 h ALA 47 Ca -0.00 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.36 3i64 h ALA 47 Cb 0.28 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3i64 h ALA 47 CO 0.02 0.70 -1.43 0.00 0.00 0.00 0.00 179.25 178.54 3i64 n ALA 48 N -2.55 2.74 -1.73 0.00 0.00 0.49 -5.00 120.51 114.46 3i64 n ALA 48 Ca -0.05 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.02 3i64 n ALA 48 Cb 0.66 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.17 3i64 n ALA 48 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i64 n GLY 49 N 1.23 0.56 3.59 0.00 0.00 0.56 -5.02 105.19 106.11 3i64 n GLY 49 Ca -0.01 -0.41 -0.27 0.00 0.00 0.00 0.00 46.02 45.32 3i64 n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i64 s ALA 50 N -2.86 3.09 -0.31 4.61 0.00 -0.39 -5.02 121.76 120.86 3i64 s ALA 50 Ca 0.00 -1.74 -0.29 0.00 0.00 0.00 0.00 51.96 49.93 3i64 s ALA 50 Cb 0.00 0.35 0.00 0.00 0.00 0.00 0.00 23.12 23.48 3i64 s ALA 50 CO 0.00 -0.18 1.27 -1.58 0.00 0.00 0.00 175.76 175.27 3i64 s HIS 51 N -2.97 2.74 0.24 0.00 5.65 -1.26 -4.58 115.29 115.10 3i64 s HIS 51 Ca 0.29 0.90 -0.12 0.00 0.25 0.00 0.00 55.06 56.37 3i64 s HIS 51 Cb 0.07 -3.92 0.32 0.00 -1.18 0.00 0.00 32.58 27.87 3i64 s HIS 51 CO 0.14 -1.59 1.60 0.00 -0.65 0.00 0.00 174.74 174.24 3i64 h ALA 52 N 9.19 0.49 -0.07 1.58 0.00 -1.91 0.37 119.26 128.91 3i64 h ALA 52 Ca -0.25 0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3i64 h ALA 52 Cb 1.09 0.61 -0.00 0.00 0.00 0.00 0.00 17.79 19.49 3i64 h ALA 52 CO 1.04 -0.42 -0.03 0.22 0.00 0.00 0.00 179.25 180.06 3i64 h ASP 53 N -0.01 0.16 -0.40 0.00 1.82 -1.94 -2.83 116.42 113.22 3i64 h ASP 53 Ca 0.37 -0.41 0.01 0.00 -0.39 0.00 0.00 57.03 56.61 3i64 h ASP 53 Cb 0.57 -0.04 -0.02 0.00 0.68 0.00 0.00 39.33 40.52 3i64 h ASP 53 CO -0.81 0.53 0.25 0.28 -1.61 0.00 0.00 179.24 177.89 3i64 h SER 54 N -0.22 0.42 -0.81 2.28 0.02 -1.88 -2.24 113.55 111.12 3i64 h SER 54 Ca 0.02 -0.00 0.12 0.00 -0.84 0.00 0.00 61.79 61.08 3i64 h SER 54 Cb 0.47 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.86 3i64 h SER 54 CO 0.01 0.30 0.53 0.25 -1.14 0.00 0.00 176.83 176.78 3i64 h LEU 55 N 0.51 0.62 -0.28 5.07 7.12 -0.95 -1.39 115.31 126.01 3i64 h LEU 55 Ca 0.15 0.02 -0.01 0.00 0.13 0.00 0.00 57.88 58.18 3i64 h LEU 55 Cb -0.02 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 39.99 3i64 h LEU 55 CO -0.05 0.35 0.13 -0.78 -0.13 0.00 0.00 178.44 177.95 3i64 h ASP 56 N 0.67 0.37 -0.72 1.25 3.58 -1.14 -2.11 116.42 118.32 3i64 h ASP 56 Ca 0.39 -0.14 0.08 0.00 0.42 0.00 0.00 57.03 57.78 3i64 h ASP 56 Cb 0.58 -0.10 -0.05 0.00 1.72 0.00 0.00 39.33 41.48 3i64 h ASP 56 CO -0.16 0.40 0.48 0.03 -2.88 0.00 0.00 179.24 177.11 3i64 h ARG 57 N 0.31 0.66 0.26 0.28 3.08 -1.15 -0.64 114.38 117.18 3i64 h ARG 57 Ca 0.10 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 3i64 h ARG 57 Cb 0.14 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3i64 h ARG 57 CO -0.01 0.44 -0.12 1.25 -1.07 0.00 0.00 179.97 180.45 3i64 h LEU 58 N 0.68 -0.29 -0.23 3.04 5.85 -0.97 -2.74 115.31 120.65 3i64 h LEU 58 Ca 0.32 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.98 3i64 h LEU 58 Cb 0.37 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 3i64 h LEU 58 CO -0.11 -0.06 -0.06 -0.07 -0.34 0.00 0.00 178.44 177.80 3i64 h LEU 59 N -0.52 -0.22 -0.75 2.25 3.38 -0.73 -1.07 115.31 117.65 3i64 h LEU 59 Ca -0.04 0.07 0.16 0.00 0.09 0.00 0.00 57.88 58.16 3i64 h LEU 59 Cb 0.39 0.14 -0.11 0.00 0.09 0.00 0.00 40.66 41.18 3i64 h LEU 59 CO 0.06 -0.08 0.23 0.03 0.09 0.00 0.00 178.44 178.77 3i64 h ARG 60 N 0.00 0.31 -0.56 1.13 2.47 -1.13 0.55 114.38 117.16 3i64 h ARG 60 Ca 0.11 -0.02 -0.06 0.00 -1.26 0.00 0.00 59.98 58.75 3i64 h ARG 60 Cb 0.17 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.39 3i64 h ARG 60 CO -0.24 0.21 0.11 1.25 0.56 0.00 0.00 179.97 181.86 3i64 h HIS 61 N 0.32 0.92 0.00 3.04 2.76 -1.04 -2.28 115.15 118.87 3i64 h HIS 61 Ca 0.43 -0.10 -0.03 0.00 -2.20 0.00 0.00 60.37 58.47 3i64 h HIS 61 Cb 0.72 -0.26 -0.00 0.00 1.55 0.00 0.00 27.41 29.41 3i64 h HIS 61 CO -0.23 0.78 -0.14 -0.07 -1.30 0.00 0.00 177.93 176.98 3i64 h LEU 62 N 0.84 0.00 -0.18 0.26 3.38 0.91 -1.73 115.31 118.79 3i64 h LEU 62 Ca 0.18 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.93 3i64 h LEU 62 Cb 0.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3i64 h LEU 62 CO 0.00 0.14 -0.95 -0.37 0.09 0.00 0.00 178.44 177.35 3i64 h VAL 63 N 0.00 1.50 -0.47 1.22 -1.51 0.24 -0.37 116.25 116.87 3i64 h VAL 63 Ca -0.00 -2.73 -0.08 0.00 -1.23 0.00 0.00 66.70 62.66 3i64 h VAL 63 Cb 0.87 2.56 -0.02 0.00 -2.13 0.00 0.00 31.29 32.57 3i64 h VAL 63 CO 0.02 0.80 -0.03 0.00 -1.23 0.00 0.00 177.57 177.12 3i64 h ALA 64 N 0.88 1.06 -0.15 5.19 0.00 -1.12 -2.22 119.26 122.91 3i64 h ALA 64 Ca -0.06 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 3i64 h ALA 64 Cb 1.61 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 3i64 h ALA 64 CO 0.15 0.58 -0.36 0.28 0.00 0.00 0.00 179.25 179.90 3i64 h VAL 65 N 0.74 1.29 0.00 0.00 2.07 -1.24 -3.47 116.25 115.64 3i64 h VAL 65 Ca 0.14 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.24 3i64 h VAL 65 Cb 0.49 1.58 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 3i64 h VAL 65 CO 0.03 0.43 0.00 0.61 0.02 0.00 0.00 177.57 178.66 3i64 n GLY 66 N -0.26 1.94 0.05 2.17 0.00 -0.83 -5.03 105.19 103.22 3i64 n GLY 66 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 3i64 n GLY 66 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i64 n LEU 67 N 0.00 0.00 -4.28 0.99 4.77 -0.19 -4.30 117.00 114.00 3i64 n LEU 67 Ca 0.00 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.83 3i64 n LEU 67 Cb 0.00 0.22 -0.10 0.00 -2.33 0.00 0.00 43.42 41.21 3i64 n LEU 67 CO 0.00 0.22 -0.30 -0.36 -1.33 0.00 0.00 177.39 175.62 3i64 s PHE 68 N -2.58 1.37 0.04 -1.77 0.08 -1.15 -2.52 117.98 111.45 3i64 s PHE 68 Ca -0.06 -1.08 0.06 0.00 0.12 0.00 0.00 56.93 55.96 3i64 s PHE 68 Cb 0.06 -0.79 -0.02 0.00 -0.57 0.00 0.00 43.02 41.70 3i64 s PHE 68 CO 0.58 -0.26 -0.16 0.95 -0.10 0.00 0.00 175.22 176.24 3i64 s THR 69 N -3.69 1.29 0.01 0.64 -4.23 0.13 -4.25 115.64 105.54 3i64 s THR 69 Ca 0.30 -1.05 -0.00 0.00 -1.18 0.00 0.00 61.69 59.76 3i64 s THR 69 Cb 0.07 -1.15 -0.01 0.00 1.34 0.00 0.00 72.50 72.75 3i64 s THR 69 CO 0.08 0.08 -0.01 -0.60 -0.54 0.00 0.00 174.62 173.63 3i64 s ARG 70 N -1.13 0.12 0.24 3.99 3.00 -1.26 -0.06 118.95 123.85 3i64 s ARG 70 Ca 0.04 -0.22 -0.19 0.00 -1.00 0.00 0.00 55.73 54.35 3i64 s ARG 70 Cb -0.08 0.04 0.02 0.00 0.00 0.00 0.00 34.95 34.93 3i64 s ARG 70 CO 0.01 -0.02 0.61 0.16 0.00 0.00 0.00 175.30 176.06 3i64 s ASP 71 N -0.54 -0.27 0.39 -2.12 1.47 -1.10 -4.91 116.67 109.60 3i64 s ASP 71 Ca -0.06 -0.56 0.00 0.00 1.18 0.00 0.00 52.55 53.11 3i64 s ASP 71 Cb -0.04 0.65 0.00 0.00 -0.34 0.00 0.00 42.92 43.19 3i64 s ASP 71 CO -0.00 -1.18 0.00 0.61 0.68 0.00 0.00 175.17 175.27 3i64 n GLY 72 N -0.40 1.55 1.62 2.12 0.00 -1.26 -0.14 105.19 108.69 3i64 n GLY 72 Ca -0.07 0.60 -0.12 0.00 0.00 0.00 0.00 46.02 46.44 3i64 n GLY 72 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i64 n GLN 73 N 0.00 1.59 -2.74 1.61 7.27 -1.26 -4.82 117.38 119.02 3i64 n GLN 73 Ca 0.00 -1.31 -0.09 0.00 0.07 0.00 0.00 57.00 55.68 3i64 n GLN 73 Cb 0.00 -1.51 0.04 0.00 2.41 0.00 0.00 30.24 31.18 3i64 n GLN 73 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3i64 n GLY 74 N 0.01 0.11 3.57 1.69 0.00 0.81 -5.02 105.19 106.36 3i64 n GLY 74 Ca 0.26 -0.22 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 3i64 n GLY 74 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i64 s VAL 75 N -3.16 5.24 0.19 1.61 -7.23 -0.87 -4.31 120.40 111.86 3i64 s VAL 75 Ca 0.06 0.13 -0.14 0.00 -1.81 0.00 0.00 61.98 60.22 3i64 s VAL 75 Cb -0.03 -3.69 -0.07 0.00 0.56 0.00 0.00 36.38 33.15 3i64 s VAL 75 CO 0.34 0.08 0.59 -0.31 -0.31 0.00 0.00 175.10 175.49 3i64 s TYR 76 N 1.89 3.56 -0.11 2.82 1.51 0.48 -2.71 117.35 124.79 3i64 s TYR 76 Ca 0.10 1.09 -0.09 0.00 -1.01 0.00 0.00 57.07 57.16 3i64 s TYR 76 Cb -0.16 -2.40 0.03 0.00 -0.11 0.00 0.00 41.96 39.32 3i64 s TYR 76 CO 0.11 0.35 0.28 0.20 -1.11 0.00 0.00 175.55 175.38 3i64 s GLY 77 N -1.88 -0.20 0.53 0.71 0.00 0.91 -4.75 107.32 102.65 3i64 s GLY 77 Ca 0.42 0.87 -0.22 0.00 0.00 0.00 0.00 44.72 45.79 3i64 s GLY 77 CO 0.20 0.87 1.33 1.08 0.00 0.00 0.00 173.10 176.57 3i64 s LEU 78 N 0.48 3.87 0.55 0.66 1.02 -1.26 0.22 118.68 124.22 3i64 s LEU 78 Ca -0.03 2.69 0.09 0.00 0.02 0.00 0.00 54.13 56.90 3i64 s LEU 78 Cb -0.04 -4.27 0.07 0.00 0.02 0.00 0.00 46.19 41.97 3i64 s LEU 78 CO -0.03 -1.47 0.75 0.42 0.02 0.00 0.00 176.35 176.05 3i64 s THR 79 N -1.35 2.35 0.62 5.49 -4.23 -1.05 -4.77 115.64 112.71 3i64 s THR 79 Ca 0.70 -0.97 0.28 0.00 -1.18 0.00 0.00 61.69 60.52 3i64 s THR 79 Cb -0.38 -2.38 0.33 0.00 1.34 0.00 0.00 72.50 71.41 3i64 s THR 79 CO 0.45 0.00 1.85 -0.08 -0.54 0.00 0.00 174.62 176.30 3i64 h GLU 80 N 0.24 0.00 0.00 3.99 4.81 -1.90 -2.24 114.58 119.49 3i64 h GLU 80 Ca -0.33 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.88 3i64 h GLU 80 Cb 1.29 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.66 3i64 h GLU 80 CO 0.42 0.00 -0.59 0.34 -0.73 0.00 0.00 179.01 178.45 3i64 n PHE 81 N -3.34 0.95 0.30 0.92 7.35 -1.26 -4.16 117.46 118.22 3i64 n PHE 81 Ca 0.05 0.41 0.06 0.00 -0.76 0.00 0.00 57.45 57.21 3i64 n PHE 81 Cb 0.60 -0.81 0.31 0.00 0.35 0.00 0.00 39.48 39.93 3i64 n PHE 81 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 3i64 h GLY 82 N -1.00 0.00 0.67 7.13 0.00 -1.29 0.25 103.07 108.83 3i64 h GLY 82 Ca -0.04 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.37 3i64 h GLY 82 CO -0.02 0.00 0.54 0.83 0.00 0.00 0.00 176.54 177.89 3i64 h GLU 83 N 0.00 0.94 0.00 4.80 4.39 -1.58 -0.71 114.58 122.42 3i64 h GLU 83 Ca 0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.64 3i64 h GLU 83 Cb 1.38 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 3i64 h GLU 83 CO 0.00 0.62 0.00 1.04 -1.16 0.00 0.00 179.01 179.51 3i64 n GLN 84 N -4.63 0.03 0.08 2.33 6.02 0.88 -2.11 117.38 119.99 3i64 n GLN 84 Ca 0.13 0.30 0.12 0.00 -0.01 0.00 0.00 57.00 57.55 3i64 n GLN 84 Cb 0.21 -1.50 0.25 0.00 1.02 0.00 0.00 30.24 30.22 3i64 n GLN 84 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3i64 h LEU 85 N 0.00 0.00 -9.67 1.08 3.38 -1.30 -3.39 115.31 105.41 3i64 h LEU 85 Ca 0.00 -0.12 -0.52 0.00 0.09 0.00 0.00 57.88 57.33 3i64 h LEU 85 Cb 0.04 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 3i64 h LEU 85 CO 0.00 0.06 0.26 0.00 0.09 0.00 0.00 178.44 178.86 3i64 s ARG 86 N -3.15 4.67 0.32 1.13 1.70 -0.90 -4.65 118.95 118.07 3i64 s ARG 86 Ca 0.08 1.30 0.11 0.00 -0.47 0.00 0.00 55.73 56.74 3i64 s ARG 86 Cb 0.13 -3.31 0.95 0.00 -0.57 0.00 0.00 34.95 32.15 3i64 s ARG 86 CO 0.68 0.44 1.70 0.22 -1.08 0.00 0.00 175.30 177.25 3i64 h ASP 87 N 4.75 0.55 -0.10 -2.89 -0.00 -1.90 -1.83 116.42 115.00 3i64 h ASP 87 Ca -0.45 0.16 -0.04 0.00 -0.00 0.00 0.00 57.03 56.70 3i64 h ASP 87 Cb 1.21 0.09 -0.02 0.00 -0.00 0.00 0.00 39.33 40.60 3i64 h ASP 87 CO 0.69 -0.02 0.05 -0.90 -0.00 0.00 0.00 179.24 179.06 3i64 n ASP 88 N -4.98 2.58 -4.89 2.28 3.85 -1.26 -4.79 116.55 109.34 3i64 n ASP 88 Ca 0.28 -2.17 -0.30 0.00 -0.71 0.00 0.00 54.79 51.90 3i64 n ASP 88 Cb 0.84 -0.53 -0.04 0.00 -1.35 0.00 0.00 41.12 40.03 3i64 n ASP 88 CO 0.00 0.00 0.00 -2.28 -1.01 0.00 0.00 177.20 173.91 3i64 s HIS 89 N -0.67 3.46 0.12 2.11 2.46 -0.69 -5.00 115.29 117.08 3i64 s HIS 89 Ca 0.07 0.76 -0.21 0.00 0.47 0.00 0.00 55.06 56.15 3i64 s HIS 89 Cb 0.06 -2.20 -0.04 0.00 -0.13 0.00 0.00 32.58 30.27 3i64 s HIS 89 CO 0.02 0.16 1.69 0.00 -2.47 0.00 0.00 174.74 174.14 3i64 h ALA 90 N 1.87 0.03 -0.52 1.58 0.00 -1.90 -2.85 119.26 117.47 3i64 h ALA 90 Ca -0.47 0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.58 3i64 h ALA 90 Cb 1.18 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 19.09 3i64 h ALA 90 CO 0.67 -0.53 0.14 0.00 0.00 0.00 0.00 179.25 179.52 3i64 h ALA 91 N 1.03 0.61 -3.10 0.00 0.00 -1.94 -3.47 119.26 112.39 3i64 h ALA 91 Ca 0.08 0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 3i64 h ALA 91 Cb 0.20 0.11 0.06 0.00 0.00 0.00 0.00 17.79 18.16 3i64 h ALA 91 CO -0.19 -0.27 -0.27 0.41 0.00 0.00 0.00 179.25 178.93 3i64 n GLY 92 N -1.28 0.26 0.12 0.00 0.00 -1.08 -4.98 105.19 98.22 3i64 n GLY 92 Ca 0.06 -0.30 -0.17 0.00 0.00 0.00 0.00 46.02 45.61 3i64 n GLY 92 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i64 h LYS 93 N -0.81 0.22 -1.06 1.61 1.57 -1.87 -3.38 116.57 112.86 3i64 h LYS 93 Ca -0.21 -0.38 0.33 0.00 -1.87 0.00 0.00 60.65 58.51 3i64 h LYS 93 Cb 1.13 0.14 -0.14 0.00 0.08 0.00 0.00 32.23 33.44 3i64 h LYS 93 CO 0.19 1.05 0.63 -0.09 -0.57 0.00 0.00 179.45 180.66 3i64 h ARG 94 N 0.06 0.31 -0.45 3.15 2.43 -1.83 0.16 114.38 118.21 3i64 h ARG 94 Ca -0.31 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 58.78 3i64 h ARG 94 Cb 2.03 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 31.49 3i64 h ARG 94 CO 0.13 0.20 0.04 1.57 -1.51 0.00 0.00 179.97 180.40 3i64 h LYS 95 N 0.32 0.71 -0.02 0.20 2.10 -1.94 0.23 116.57 118.17 3i64 h LYS 95 Ca 0.72 -0.16 -0.12 0.00 -2.00 0.00 0.00 60.65 59.09 3i64 h LYS 95 Cb 1.76 -0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 32.97 3i64 h LYS 95 CO -0.52 0.70 -0.53 -1.49 -2.00 0.00 0.00 179.45 175.61 3i64 h TRP 96 N 0.67 0.07 0.06 0.07 4.06 -0.92 -3.23 115.95 116.74 3i64 h TRP 96 Ca 0.14 -0.02 -0.28 0.00 2.06 0.00 0.00 58.89 60.79 3i64 h TRP 96 Cb 0.36 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 28.49 3i64 h TRP 96 CO 0.02 0.57 -1.45 -0.07 -3.56 0.00 0.00 178.44 173.95 3i64 h LEU 97 N 0.04 0.21 -9.30 -4.49 3.38 -1.07 -2.70 115.31 101.39 3i64 h LEU 97 Ca -0.00 -0.30 -0.67 0.00 0.09 0.00 0.00 57.88 57.00 3i64 h LEU 97 Cb 0.95 -0.07 0.06 0.00 0.09 0.00 0.00 40.66 41.69 3i64 h LEU 97 CO 0.07 1.25 0.44 -0.67 0.09 0.00 0.00 178.44 179.62 3i64 n ASP 98 N -3.34 1.67 0.00 -0.43 -0.08 0.77 -4.69 116.55 110.45 3i64 n ASP 98 Ca -0.13 1.12 0.01 0.00 -1.51 0.00 0.00 54.79 54.29 3i64 n ASP 98 Cb 1.02 -1.21 0.09 0.00 2.34 0.00 0.00 41.12 43.36 3i64 n ASP 98 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 3i64 n MET 99 N 2.42 0.79 -0.01 -0.67 2.81 -1.26 -2.91 117.12 118.29 3i64 n MET 99 Ca 0.18 0.00 0.07 0.00 -1.81 0.00 0.00 57.70 56.14 3i64 n MET 99 Cb 0.21 -1.06 -0.11 0.00 -0.71 0.00 0.00 33.22 31.55 3i64 n MET 99 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3i64 n ASN 100 N -0.56 1.41 -4.80 7.83 3.02 -1.26 -4.00 115.26 116.90 3i64 n ASN 100 Ca 0.02 -0.17 -0.30 0.00 -0.03 0.00 0.00 54.58 54.10 3i64 n ASN 100 Cb 0.01 1.54 0.10 0.00 -0.61 0.00 0.00 39.78 40.82 3i64 n ASN 100 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3i64 s SER 101 N -3.44 4.30 0.10 6.41 1.04 -1.15 -4.85 113.70 116.12 3i64 s SER 101 Ca -0.03 1.27 -0.25 0.00 0.48 0.00 0.00 55.95 57.42 3i64 s SER 101 Cb 0.10 -1.98 -0.11 0.00 0.10 0.00 0.00 66.02 64.13 3i64 s SER 101 CO 0.61 -2.09 1.68 0.00 0.98 0.00 0.00 173.24 174.43 3i64 h ALA 102 N -1.17 -0.25 -0.52 5.32 0.00 -1.85 -2.03 119.26 118.76 3i64 h ALA 102 Ca -0.48 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.32 3i64 h ALA 102 Cb 1.28 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 3i64 h ALA 102 CO 0.59 -0.67 -0.02 0.28 0.00 0.00 0.00 179.25 179.44 3i64 h VAL 103 N -0.29 1.27 -0.21 0.00 2.07 -1.90 0.20 116.25 117.38 3i64 h VAL 103 Ca 0.02 -1.13 -0.05 0.00 0.82 0.00 0.00 66.70 66.36 3i64 h VAL 103 Cb 0.30 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 3i64 h VAL 103 CO -0.07 0.40 -0.08 1.23 0.02 0.00 0.00 177.57 179.07 3i64 h GLY 104 N 0.81 0.35 0.03 2.17 0.00 -1.41 0.60 103.07 105.62 3i64 h GLY 104 Ca 0.15 -0.21 -0.00 0.00 0.00 0.00 0.00 47.33 47.27 3i64 h GLY 104 CO 0.03 0.19 -0.00 -0.09 0.00 0.00 0.00 176.54 176.67 3i64 h ARG 105 N 0.31 -0.01 -0.66 4.80 2.43 -1.23 -3.36 114.38 116.66 3i64 h ARG 105 Ca 0.07 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.35 3i64 h ARG 105 Cb 0.34 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.85 3i64 h ARG 105 CO 0.02 0.66 0.44 0.78 -1.51 0.00 0.00 179.97 180.36 3i64 h GLY 106 N -0.98 0.63 2.00 2.80 0.00 -0.43 -1.56 103.07 105.53 3i64 h GLY 106 Ca -0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 3i64 h GLY 106 CO 0.00 0.09 -0.06 -0.55 0.00 0.00 0.00 176.54 176.02 3i64 h ASP 107 N 0.42 0.00 0.50 0.19 5.19 -1.02 0.16 116.42 121.85 3i64 h ASP 107 Ca 0.31 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.72 3i64 h ASP 107 Cb 0.65 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.16 3i64 h ASP 107 CO -0.09 0.06 0.00 0.18 -3.12 0.00 0.00 179.24 176.27 3i64 n LEU 108 N -3.37 0.00 0.00 1.55 4.77 -0.59 -1.65 117.00 117.72 3i64 n LEU 108 Ca -0.02 0.47 0.08 0.00 -0.03 0.00 0.00 56.01 56.52 3i64 n LEU 108 Cb 0.21 -0.47 0.36 0.00 -2.33 0.00 0.00 43.42 41.18 3i64 n LEU 108 CO 0.27 -0.23 0.74 0.61 -1.33 0.00 0.00 177.39 177.45 3i64 n GLY 109 N 0.07 -0.95 0.22 -0.72 0.00 0.55 -2.40 105.19 101.96 3i64 n GLY 109 Ca 0.04 -0.06 0.07 0.00 0.00 0.00 0.00 46.02 46.07 3i64 n GLY 109 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3i64 h PHE 110 N 0.00 0.00 -0.04 1.61 -1.00 -1.49 -2.20 116.94 113.82 3i64 h PHE 110 Ca 0.00 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.79 3i64 h PHE 110 Cb 0.22 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.78 3i64 h PHE 110 CO 0.00 0.23 0.15 -0.39 -1.61 0.00 0.00 178.31 176.70 3i64 h VAL 111 N 0.00 0.13 -0.63 -0.55 -1.51 -1.72 0.39 116.25 112.36 3i64 h VAL 111 Ca -0.00 0.00 -0.07 0.00 -1.23 0.00 0.00 66.70 65.40 3i64 h VAL 111 Cb 0.48 0.86 -0.04 0.00 -2.13 0.00 0.00 31.29 30.46 3i64 h VAL 111 CO 0.03 0.00 0.08 -0.62 -1.23 0.00 0.00 177.57 175.83 3i64 n GLU 112 N -3.21 4.57 -0.33 5.19 -0.58 -0.83 -4.55 120.64 120.91 3i64 n GLU 112 Ca -0.02 -3.13 0.08 0.00 -0.42 0.00 0.00 57.16 53.68 3i64 n GLU 112 Cb 0.23 -2.26 0.25 0.00 -0.57 0.00 0.00 31.44 29.08 3i64 n GLU 112 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 3i64 h LEU 113 N 3.61 0.70 -0.99 -4.62 6.46 -0.34 -0.86 115.31 119.27 3i64 h LEU 113 Ca 0.08 0.08 0.27 0.00 -0.12 0.00 0.00 57.88 58.19 3i64 h LEU 113 Cb 2.10 -0.05 -0.13 0.00 -0.73 0.00 0.00 40.66 41.84 3i64 h LEU 113 CO 0.57 0.31 0.56 0.00 -0.62 0.00 0.00 178.44 179.27 3i64 h ALA 114 N 1.57 1.81 0.35 1.25 0.00 -1.81 0.07 119.26 122.50 3i64 h ALA 114 Ca 0.50 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.54 3i64 h ALA 114 Cb 0.65 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.53 3i64 h ALA 114 CO -0.33 -0.39 -0.17 1.25 0.00 0.00 0.00 179.25 179.61 3i64 h HIS 115 N 0.46 -0.44 -0.28 0.00 -0.00 -1.51 -1.44 115.15 111.94 3i64 h HIS 115 Ca 0.67 -0.01 0.06 0.00 -0.00 0.00 0.00 60.37 61.09 3i64 h HIS 115 Cb 1.37 0.15 -0.06 0.00 -0.00 0.00 0.00 27.41 28.87 3i64 h HIS 115 CO -0.02 -0.26 -0.09 0.77 -0.00 0.00 0.00 177.93 178.33 3i64 h SER 116 N -0.50 -0.31 0.58 3.26 0.02 -1.07 -0.30 113.55 115.24 3i64 h SER 116 Ca -0.05 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3i64 h SER 116 Cb 0.38 0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.11 3i64 h SER 116 CO 0.08 -0.11 0.00 0.40 -1.14 0.00 0.00 176.83 176.06 3i64 h ILE 117 N -0.03 0.00 0.00 3.27 2.04 -1.09 0.94 117.51 122.64 3i64 h ILE 117 Ca 0.14 -0.28 -0.19 0.00 1.00 0.00 0.00 64.86 65.53 3i64 h ILE 117 Cb 0.23 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 3i64 h ILE 117 CO -0.30 0.00 -1.50 0.54 0.00 0.00 0.00 178.15 176.89 3i64 n ARG 118 N -2.94 0.63 0.00 2.37 1.74 -0.42 -4.58 116.66 113.46 3i64 n ARG 118 Ca -0.01 0.21 0.00 0.00 -0.77 0.00 0.00 57.85 57.29 3i64 n ARG 118 Cb 0.20 -1.79 0.00 0.00 -1.02 0.00 0.00 32.46 29.85 3i64 n ARG 118 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 3i64 n THR 119 N -2.89 0.00 -1.46 0.55 -2.24 -0.26 -5.01 114.28 102.98 3i64 n THR 119 Ca -0.11 -0.29 -0.14 0.00 -2.27 0.00 0.00 64.05 61.24 3i64 n THR 119 Cb 0.87 1.35 -0.06 0.00 -2.10 0.00 0.00 70.33 70.40 3i64 n THR 119 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i64 n GLY 120 N 0.10 1.35 3.68 3.38 0.00 0.32 -5.00 105.19 109.02 3i64 n GLY 120 Ca 0.00 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.41 3i64 n GLY 120 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3i64 s GLN 121 N -3.27 2.42 0.67 1.61 -0.21 -1.24 -4.88 119.66 114.77 3i64 s GLN 121 Ca 0.00 -1.28 -0.17 0.00 0.02 0.00 0.00 55.36 53.94 3i64 s GLN 121 Cb 0.00 -2.28 0.01 0.00 1.00 0.00 0.00 33.01 31.74 3i64 s GLN 121 CO 0.00 0.40 1.25 -1.25 -2.12 0.00 0.00 175.29 173.56 3i64 s PRO 122 N -3.50 2.43 -0.02 2.91 0.04 -1.26 -3.81 135.00 131.80 3i64 s PRO 122 Ca 0.30 1.91 0.17 0.00 0.04 0.00 0.00 61.00 63.43 3i64 s PRO 122 Cb -0.07 -1.85 -0.25 0.00 0.04 0.00 0.00 34.50 32.37 3i64 s PRO 122 CO 0.20 -1.65 0.44 0.00 0.04 0.00 0.00 177.00 176.03 3i64 n ALA 123 N -2.20 2.93 -0.10 8.56 0.00 0.17 -4.49 120.51 125.39 3i64 n ALA 123 Ca 0.15 -0.42 -0.06 0.00 0.00 0.00 0.00 53.44 53.11 3i64 n ALA 123 Cb 0.49 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.35 3i64 n ALA 123 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 3i64 h TYR 124 N 0.00 -0.16 -0.93 0.00 3.20 -1.30 -1.97 116.97 115.81 3i64 h TYR 124 Ca 0.00 0.03 0.05 0.00 3.14 0.00 0.00 58.73 61.95 3i64 h TYR 124 Cb 0.71 0.12 -0.06 0.00 1.54 0.00 0.00 36.73 39.04 3i64 h TYR 124 CO 0.00 -0.14 0.60 -1.00 -1.64 0.00 0.00 178.16 175.98 3i64 h PRO 125 N 0.01 1.09 -0.71 1.82 0.13 -1.78 0.11 132.00 132.67 3i64 h PRO 125 Ca 0.16 -0.07 0.14 0.00 -0.87 0.00 0.00 66.00 65.37 3i64 h PRO 125 Cb 0.25 -0.25 -0.04 0.00 0.13 0.00 0.00 31.00 31.09 3i64 h PRO 125 CO -0.34 0.72 0.48 0.28 -0.23 0.00 0.00 178.00 178.90 3i64 h VAL 126 N 1.12 0.80 0.13 1.56 2.07 -1.61 2.02 116.25 122.34 3i64 h VAL 126 Ca 0.39 -0.12 -0.33 0.00 0.82 0.00 0.00 66.70 67.46 3i64 h VAL 126 Cb 0.09 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 3i64 h VAL 126 CO -0.15 0.07 -1.71 -0.09 0.02 0.00 0.00 177.57 175.71 3i64 h ARG 127 N 0.36 0.27 -0.30 1.57 2.43 -0.99 -3.39 114.38 114.33 3i64 h ARG 127 Ca 0.34 -0.46 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 3i64 h ARG 127 Cb 0.83 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.56 3i64 h ARG 127 CO -0.10 1.22 0.00 0.66 -1.51 0.00 0.00 179.97 180.24 3i64 n TYR 128 N -3.72 0.95 -2.10 2.20 4.02 0.26 -4.98 117.16 113.80 3i64 n TYR 128 Ca -0.28 -0.81 -0.06 0.00 -0.01 0.00 0.00 57.90 56.74 3i64 n TYR 128 Cb 0.98 -0.28 -0.01 0.00 -0.02 0.00 0.00 39.34 40.01 3i64 n TYR 128 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i64 n GLY 129 N -0.26 -0.17 3.57 2.72 0.00 0.68 -4.86 105.19 106.86 3i64 n GLY 129 Ca 0.20 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.16 3i64 n GLY 129 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3i64 s THR 130 N -2.10 0.00 0.77 2.61 -1.32 -1.23 -5.03 115.64 109.34 3i64 s THR 130 Ca 0.00 -0.16 -0.11 0.00 -1.21 0.00 0.00 61.69 60.21 3i64 s THR 130 Cb 0.00 -1.27 0.05 0.00 -1.51 0.00 0.00 72.50 69.78 3i64 s THR 130 CO 0.00 0.00 1.08 -0.94 -2.21 0.00 0.00 174.62 172.55 3i64 s SER 131 N -2.58 4.59 0.11 8.08 1.04 -1.26 -3.63 113.70 120.04 3i64 s SER 131 Ca 0.07 1.71 -0.20 0.00 0.48 0.00 0.00 55.95 58.01 3i64 s SER 131 Cb -0.01 -2.45 -0.09 0.00 0.10 0.00 0.00 66.02 63.57 3i64 s SER 131 CO -0.06 -1.96 1.74 0.15 0.98 0.00 0.00 173.24 174.09 3i64 h PHE 132 N -1.08 0.20 -0.57 5.02 3.57 -1.96 -1.37 116.94 120.76 3i64 h PHE 132 Ca -0.44 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 60.95 3i64 h PHE 132 Cb 1.23 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.89 3i64 h PHE 132 CO 0.56 0.15 -0.05 -1.49 -2.23 0.00 0.00 178.31 175.26 3i64 h TRP 133 N 0.19 1.14 -1.00 0.41 -0.00 -1.96 -0.92 115.95 113.81 3i64 h TRP 133 Ca 0.06 -0.22 0.02 0.00 -0.00 0.00 0.00 58.89 58.75 3i64 h TRP 133 Cb 0.01 -0.29 -0.05 0.00 -0.00 0.00 0.00 29.16 28.82 3i64 h TRP 133 CO -0.06 1.03 0.66 0.93 -0.00 0.00 0.00 178.44 181.00 3i64 h GLU 134 N 0.92 1.27 -0.21 0.49 5.08 -1.90 0.57 114.58 120.80 3i64 h GLU 134 Ca 0.15 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 3i64 h GLU 134 Cb 0.61 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3i64 h GLU 134 CO 0.04 0.84 0.07 0.22 -1.00 0.00 0.00 179.01 179.18 3i64 h ASP 135 N 1.31 0.30 0.46 1.42 3.58 -0.84 -2.38 116.42 120.26 3i64 h ASP 135 Ca 0.38 -0.18 -0.10 0.00 0.42 0.00 0.00 57.03 57.55 3i64 h ASP 135 Cb -0.08 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 40.88 3i64 h ASP 135 CO -0.10 0.40 -0.47 -0.07 -2.88 0.00 0.00 179.24 176.11 3i64 h LEU 136 N 0.17 0.02 -0.84 2.28 3.38 -0.62 -2.65 115.31 117.05 3i64 h LEU 136 Ca 0.07 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3i64 h LEU 136 Cb 0.20 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3i64 h LEU 136 CO -0.00 0.50 0.00 1.23 0.09 0.00 0.00 178.44 180.25 3i64 h GLY 137 N 1.42 0.00 -0.65 0.83 0.00 0.40 -3.12 103.07 101.95 3i64 h GLY 137 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3i64 h GLY 137 CO 0.06 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.46 3i64 n SER 138 N -2.73 2.69 -3.46 0.19 3.41 -0.92 -4.83 113.62 107.97 3i64 n SER 138 Ca 0.02 -2.43 -0.19 0.00 -0.26 0.00 0.00 58.87 56.01 3i64 n SER 138 Cb 0.33 -0.26 -0.12 0.00 -0.26 0.00 0.00 64.21 63.90 3i64 n SER 138 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i64 s ASP 139 N -1.59 1.79 0.16 4.04 -1.08 -1.03 -5.02 116.67 113.95 3i64 s ASP 139 Ca 0.21 -0.59 -0.07 0.00 -0.52 0.00 0.00 52.55 51.59 3i64 s ASP 139 Cb 0.16 0.34 0.03 0.00 -1.46 0.00 0.00 42.92 41.99 3i64 s ASP 139 CO 0.07 -0.37 1.47 -0.65 0.52 0.00 0.00 175.17 176.21 3i64 h PRO 140 N 8.30 0.72 -0.47 4.34 0.11 -1.88 -1.13 132.00 142.00 3i64 h PRO 140 Ca -0.16 -0.44 -0.11 0.00 0.11 0.00 0.00 66.00 65.40 3i64 h PRO 140 Cb 1.10 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3i64 h PRO 140 CO 0.33 1.06 -0.14 0.28 -0.21 0.00 0.00 178.00 179.32 3i64 h VAL 141 N 0.56 1.27 -0.02 3.15 2.07 -1.95 0.17 116.25 121.50 3i64 h VAL 141 Ca 0.02 -1.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.28 3i64 h VAL 141 Cb 1.08 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.91 3i64 h VAL 141 CO 0.11 0.44 -0.00 0.25 0.02 0.00 0.00 177.57 178.38 3i64 h LEU 142 N 0.79 0.03 -1.43 2.57 6.46 -1.88 -2.06 115.31 119.79 3i64 h LEU 142 Ca 0.12 -0.34 0.03 0.00 -0.12 0.00 0.00 57.88 57.58 3i64 h LEU 142 Cb 0.67 -0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 40.56 3i64 h LEU 142 CO 0.05 0.36 0.42 -1.28 -0.62 0.00 0.00 178.44 177.36 3i64 h SER 143 N -0.30 0.64 -0.25 1.25 0.87 -1.09 -1.89 113.55 112.77 3i64 h SER 143 Ca 0.00 -0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3i64 h SER 143 Cb 0.34 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 3i64 h SER 143 CO 0.00 0.44 0.17 0.00 -0.53 0.00 0.00 176.83 176.91 3i64 h ALA 144 N 1.63 0.32 -0.78 6.23 0.00 -0.34 -2.04 119.26 124.28 3i64 h ALA 144 Ca 0.25 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3i64 h ALA 144 Cb 0.07 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 3i64 h ALA 144 CO -0.07 -0.21 0.47 0.66 0.00 0.00 0.00 179.25 180.10 3i64 h SER 145 N 0.34 0.93 -0.31 0.00 4.64 -0.66 -1.74 113.55 116.75 3i64 h SER 145 Ca 0.09 -0.05 -0.02 0.00 -0.47 0.00 0.00 61.79 61.35 3i64 h SER 145 Cb -0.04 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 61.80 3i64 h SER 145 CO -0.02 0.71 0.13 0.15 -0.87 0.00 0.00 176.83 176.93 3i64 h PHE 146 N 1.07 0.47 -0.93 4.77 3.57 -0.97 -0.56 116.94 124.36 3i64 h PHE 146 Ca 0.28 -0.03 0.12 0.00 3.53 0.00 0.00 57.97 61.86 3i64 h PHE 146 Cb -0.05 -0.14 -0.07 0.00 2.79 0.00 0.00 35.95 38.48 3i64 h PHE 146 CO 0.00 0.44 0.60 -0.44 -2.23 0.00 0.00 178.31 176.68 3i64 h ASP 147 N 0.36 0.82 -0.23 0.41 3.32 -0.73 0.44 116.42 120.81 3i64 h ASP 147 Ca 0.11 0.04 -0.04 0.00 0.02 0.00 0.00 57.03 57.15 3i64 h ASP 147 Cb 0.16 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3i64 h ASP 147 CO -0.01 0.45 -0.01 0.74 -1.72 0.00 0.00 179.24 178.69 3i64 h THR 148 N 0.88 1.26 -0.62 0.35 2.02 -0.73 -0.86 112.91 115.22 3i64 h THR 148 Ca 0.45 -0.92 -0.05 0.00 0.77 0.00 0.00 66.41 66.66 3i64 h THR 148 Cb 0.50 1.41 -0.03 0.00 -1.74 0.00 0.00 68.15 68.30 3i64 h THR 148 CO -0.21 0.28 0.19 -0.07 0.37 0.00 0.00 175.52 176.08 3i64 h LEU 149 N 0.17 0.90 -0.88 2.58 3.38 -0.05 -1.39 115.31 120.02 3i64 h LEU 149 Ca 0.06 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 57.73 3i64 h LEU 149 Cb 0.42 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 3i64 h LEU 149 CO 0.01 0.88 -0.19 0.24 0.09 0.00 0.00 178.44 179.47 3i64 h MET 150 N 0.89 0.61 -0.92 1.13 2.86 -0.92 -1.33 114.93 117.25 3i64 h MET 150 Ca 0.20 -0.22 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3i64 h MET 150 Cb 0.30 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.87 3i64 h MET 150 CO -0.01 0.77 0.57 1.03 1.06 0.00 0.00 176.91 180.33 3i64 h SER 151 N 0.55 1.09 -0.40 1.22 0.87 -0.73 -1.89 113.55 114.26 3i64 h SER 151 Ca 0.09 -0.06 -0.07 0.00 -1.23 0.00 0.00 61.79 60.52 3i64 h SER 151 Cb 0.63 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.30 3i64 h SER 151 CO 0.04 0.83 0.02 -0.74 -0.53 0.00 0.00 176.83 176.45 3i64 h HIS 152 N 1.26 0.83 0.00 2.24 6.17 -0.54 -2.63 115.15 122.47 3i64 h HIS 152 Ca 0.33 -0.11 -0.05 0.00 0.71 0.00 0.00 60.37 61.25 3i64 h HIS 152 Cb -0.07 -0.23 -0.01 0.00 2.52 0.00 0.00 27.41 29.62 3i64 h HIS 152 CO 0.00 0.76 -0.24 1.12 0.71 0.00 0.00 177.93 180.28 3i64 h HIS 153 N 0.73 0.00 -0.89 5.26 -0.00 -0.48 -2.30 115.15 117.48 3i64 h HIS 153 Ca 0.15 0.00 0.02 0.00 -0.00 0.00 0.00 60.37 60.54 3i64 h HIS 153 Cb 0.42 0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 27.78 3i64 h HIS 153 CO 0.02 0.24 0.59 -0.07 -0.00 0.00 0.00 177.93 178.71 3i64 h LEU 154 N 0.00 0.99 0.37 6.12 3.38 -1.06 -0.61 115.31 124.51 3i64 h LEU 154 Ca -0.00 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3i64 h LEU 154 Cb 0.56 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.08 3i64 h LEU 154 CO 0.03 0.70 -0.18 -0.33 0.09 0.00 0.00 178.44 178.76 3i64 h GLU 155 N 1.17 -0.47 -0.99 1.13 5.08 -1.49 -0.05 114.58 118.94 3i64 h GLU 155 Ca 0.34 0.03 0.23 0.00 -1.00 0.00 0.00 59.36 58.96 3i64 h GLU 155 Cb -0.07 0.11 -0.09 0.00 0.50 0.00 0.00 28.75 29.20 3i64 h GLU 155 CO -0.09 -0.21 0.63 -0.07 -1.00 0.00 0.00 179.01 178.28 3i64 h LEU 156 N -1.04 0.54 0.00 1.33 3.38 -1.35 -3.33 115.31 114.83 3i64 h LEU 156 Ca -0.05 0.08 -0.26 0.00 0.09 0.00 0.00 57.88 57.74 3i64 h LEU 156 Cb 0.49 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 3i64 h LEU 156 CO 0.08 0.16 -1.79 0.47 0.09 0.00 0.00 178.44 177.46 3i64 n ASP 157 N -4.64 1.43 -1.37 -0.43 8.00 -0.25 -4.75 116.55 114.55 3i64 n ASP 157 Ca 0.23 0.24 -0.04 0.00 0.71 0.00 0.00 54.79 55.94 3i64 n ASP 157 Cb 0.74 -0.58 0.02 0.00 -0.02 0.00 0.00 41.12 41.28 3i64 n ASP 157 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3i64 n TYR 158 N -3.93 0.40 -1.66 1.24 0.53 -0.03 -3.79 117.16 109.92 3i64 n TYR 158 Ca -0.32 -0.95 -0.42 0.00 -1.02 0.00 0.00 57.90 55.19 3i64 n TYR 158 Cb 0.68 -0.47 -0.03 0.00 -1.03 0.00 0.00 39.34 38.49 3i64 n TYR 158 CO 0.00 0.00 0.00 0.25 -1.02 0.00 0.00 176.86 176.09 3i64 n THR 159 N 0.71 0.76 -2.09 -0.72 -2.24 -1.25 -2.17 114.28 107.28 3i64 n THR 159 Ca 0.08 -0.15 -0.15 0.00 -2.27 0.00 0.00 64.05 61.56 3i64 n THR 159 Cb 0.59 -2.31 -0.02 0.00 -2.10 0.00 0.00 70.33 66.48 3i64 n THR 159 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i64 n GLY 160 N 4.58 0.18 0.21 3.38 0.00 -1.26 -4.50 105.19 107.78 3i64 n GLY 160 Ca 0.20 -0.25 0.07 0.00 0.00 0.00 0.00 46.02 46.05 3i64 n GLY 160 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3i64 h ILE 161 N 0.00 0.86 -0.76 -0.61 2.10 -1.82 -2.95 117.51 114.33 3i64 h ILE 161 Ca -0.36 -1.17 0.07 0.00 1.08 0.00 0.00 64.86 64.48 3i64 h ILE 161 Cb 1.21 1.71 -0.06 0.00 -1.09 0.00 0.00 36.82 38.58 3i64 h ILE 161 CO 0.44 0.29 0.44 0.00 -1.08 0.00 0.00 178.15 178.24 3i64 h ALA 162 N 1.70 1.04 -0.02 0.18 0.00 -1.89 -2.93 119.26 117.34 3i64 h ALA 162 Ca -0.00 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.79 3i64 h ALA 162 Cb 0.68 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.33 3i64 h ALA 162 CO 0.04 0.12 -0.51 0.00 0.00 0.00 0.00 179.25 178.89 3i64 h ALA 163 N 1.39 0.10 0.00 0.00 0.00 -1.93 -3.33 119.26 115.49 3i64 h ALA 163 Ca 0.35 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3i64 h ALA 163 Cb 0.23 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3i64 h ALA 163 CO -0.20 0.31 0.08 1.63 0.00 0.00 0.00 179.25 181.07 3i64 n LYS 164 N -4.28 0.00 -3.96 0.00 4.76 -1.11 -4.61 118.16 108.96 3i64 n LYS 164 Ca -0.10 0.21 -0.08 0.00 -2.87 0.00 0.00 58.31 55.48 3i64 n LYS 164 Cb 0.62 -1.58 -0.09 0.00 -1.84 0.00 0.00 35.03 32.14 3i64 n LYS 164 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 3i64 s TYR 165 N -2.32 0.30 -1.21 2.13 5.04 -1.23 -5.03 117.35 115.02 3i64 s TYR 165 Ca 0.00 -0.74 -0.13 0.00 -2.44 0.00 0.00 57.07 53.75 3i64 s TYR 165 Cb 0.00 -0.20 0.17 0.00 0.35 0.00 0.00 41.96 42.28 3i64 s TYR 165 CO 0.00 -0.44 1.45 -3.47 -1.34 0.00 0.00 175.55 171.74 3i64 n ASP 166 N 0.19 5.23 0.11 4.32 2.03 -1.26 -4.80 116.55 122.36 3i64 n ASP 166 Ca -0.16 -2.98 -0.12 0.00 0.52 0.00 0.00 54.79 52.05 3i64 n ASP 166 Cb 0.61 -1.57 -0.08 0.00 -0.72 0.00 0.00 41.12 39.37 3i64 n ASP 166 CO 0.00 0.00 0.00 -0.50 -1.92 0.00 0.00 177.20 174.78 3i64 h TRP 167 N 7.08 -0.29 -0.97 -0.67 4.06 -1.93 -3.26 115.95 119.97 3i64 h TRP 167 Ca 0.32 -0.01 0.30 0.00 2.06 0.00 0.00 58.89 61.57 3i64 h TRP 167 Cb 0.86 0.10 -0.17 0.00 -1.00 0.00 0.00 29.16 28.95 3i64 h TRP 167 CO 1.10 0.09 0.23 0.00 -3.56 0.00 0.00 178.44 176.30 3i64 h ALA 168 N -0.29 1.49 0.00 1.49 0.00 -1.92 0.94 119.26 120.96 3i64 h ALA 168 Ca -0.03 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3i64 h ALA 168 Cb 0.51 0.44 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3i64 h ALA 168 CO 0.05 -0.65 0.23 0.00 0.00 0.00 0.00 179.25 178.89 3i64 h ALA 169 N 1.93 1.16 0.00 0.00 0.00 -1.97 0.10 119.26 120.49 3i64 h ALA 169 Ca 0.66 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.45 3i64 h ALA 169 Cb 1.48 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 3i64 h ALA 169 CO -0.81 -0.16 -0.93 -0.07 0.00 0.00 0.00 179.25 177.29 3i64 h LEU 170 N 0.00 0.00 0.00 0.00 3.38 0.76 -3.48 115.31 115.96 3i64 h LEU 170 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i64 h LEU 170 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3i64 h LEU 170 CO 0.00 0.48 0.00 0.61 0.09 0.00 0.00 178.44 179.62 3i64 n GLY 171 N 1.29 1.73 2.77 0.83 0.00 0.02 -3.75 105.19 108.08 3i64 n GLY 171 Ca -0.03 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 3i64 n GLY 171 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3i64 s HIS 172 N 0.00 0.42 -0.05 1.61 5.65 -1.25 -0.76 115.29 120.91 3i64 s HIS 172 Ca 0.00 -0.02 0.04 0.00 0.25 0.00 0.00 55.06 55.34 3i64 s HIS 172 Cb 0.00 -0.60 -0.02 0.00 -1.18 0.00 0.00 32.58 30.78 3i64 s HIS 172 CO 0.00 -0.23 -0.16 0.14 -0.65 0.00 0.00 174.74 173.84 3i64 s VAL 173 N 1.67 2.88 -0.27 0.89 -7.23 -0.25 -0.27 120.40 117.83 3i64 s VAL 173 Ca -0.00 -0.79 -0.10 0.00 -1.81 0.00 0.00 61.98 59.28 3i64 s VAL 173 Cb -0.13 -2.11 -0.05 0.00 0.56 0.00 0.00 36.38 34.65 3i64 s VAL 173 CO -0.03 0.59 0.16 -0.69 -0.31 0.00 0.00 175.10 174.81 3i64 s VAL 174 N -0.63 5.09 -1.02 1.32 1.01 0.46 -0.66 120.40 125.97 3i64 s VAL 174 Ca 0.09 0.09 -0.14 0.00 0.00 0.00 0.00 61.98 62.02 3i64 s VAL 174 Cb -0.11 -3.41 0.19 0.00 0.00 0.00 0.00 36.38 33.05 3i64 s VAL 174 CO 0.01 0.29 1.13 -0.62 0.00 0.00 0.00 175.10 175.91 3i64 s ASP 175 N 1.60 6.92 -0.33 3.32 2.15 0.13 -0.59 116.67 129.86 3i64 s ASP 175 Ca 0.07 -2.76 -0.28 0.00 0.43 0.00 0.00 52.55 50.01 3i64 s ASP 175 Cb -0.15 -2.32 -0.04 0.00 -0.30 0.00 0.00 42.92 40.10 3i64 s ASP 175 CO 0.08 -0.71 2.12 -0.69 -0.17 0.00 0.00 175.17 175.80 3i64 s VAL 176 N 1.04 3.16 0.00 1.11 1.01 0.02 -0.18 120.40 126.56 3i64 s VAL 176 Ca 0.32 0.15 0.00 0.00 0.00 0.00 0.00 61.98 62.45 3i64 s VAL 176 Cb -0.06 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.07 3i64 s VAL 176 CO -0.06 -0.18 0.00 0.61 0.00 0.00 0.00 175.10 175.46 3i64 n GLY 177 N 5.72 0.45 2.00 4.51 0.00 0.22 -4.38 105.19 113.71 3i64 n GLY 177 Ca 0.29 -0.93 -0.12 0.00 0.00 0.00 0.00 46.02 45.26 3i64 n GLY 177 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i64 n GLY 178 N -2.90 3.06 3.54 -0.02 0.00 0.74 -4.89 105.19 104.72 3i64 n GLY 178 Ca 0.00 -1.19 -0.49 0.00 0.00 0.00 0.00 46.02 44.34 3i64 n GLY 178 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i64 n GLY 179 N 2.34 -0.36 2.63 -0.02 0.00 -1.26 -2.44 105.19 106.07 3i64 n GLY 179 Ca 0.41 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.93 3i64 n GLY 179 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3i64 n SER 180 N 1.84 -0.05 -3.96 1.61 2.88 -1.18 -4.40 113.62 110.36 3i64 n SER 180 Ca 0.15 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.38 3i64 n SER 180 Cb 0.24 -0.01 0.02 0.00 -0.75 0.00 0.00 64.21 63.71 3i64 n SER 180 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3i64 n GLY 181 N -2.02 -0.49 0.11 0.46 0.00 -1.02 -4.22 105.19 98.01 3i64 n GLY 181 Ca 0.00 0.19 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 3i64 n GLY 181 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3i64 h GLY 182 N -2.01 0.13 0.85 -0.02 0.00 -1.80 -3.11 103.07 97.11 3i64 h GLY 182 Ca -0.58 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 46.42 3i64 h GLY 182 CO 0.69 0.28 -0.07 -2.00 0.00 0.00 0.00 176.54 175.44 3i64 h LEU 183 N -0.66 -0.16 -0.86 3.11 5.85 -1.90 0.10 115.31 120.79 3i64 h LEU 183 Ca -0.29 -0.12 0.06 0.00 0.84 0.00 0.00 57.88 58.37 3i64 h LEU 183 Cb 1.49 0.04 -0.06 0.00 0.37 0.00 0.00 40.66 42.50 3i64 h LEU 183 CO -0.06 0.02 0.53 0.25 -0.34 0.00 0.00 178.44 178.85 3i64 h LEU 184 N -0.34 0.84 0.36 2.25 6.46 -1.90 0.79 115.31 123.76 3i64 h LEU 184 Ca -0.02 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 3i64 h LEU 184 Cb 0.27 -0.16 -0.01 0.00 -0.73 0.00 0.00 40.66 40.03 3i64 h LEU 184 CO 0.03 0.53 -0.29 -1.28 -0.62 0.00 0.00 178.44 176.82 3i64 h SER 185 N 0.97 -0.75 0.15 1.25 0.87 -1.43 0.16 113.55 114.77 3i64 h SER 185 Ca 0.38 0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.99 3i64 h SER 185 Cb 0.18 0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.38 3i64 h SER 185 CO -0.18 -0.43 -0.02 0.00 -0.53 0.00 0.00 176.83 175.67 3i64 h ALA 186 N -0.11 1.24 0.11 6.23 0.00 -0.35 0.79 119.26 127.17 3i64 h ALA 186 Ca -0.03 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.71 3i64 h ALA 186 Cb 0.57 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.37 3i64 h ALA 186 CO -0.01 0.03 -0.67 1.25 0.00 0.00 0.00 179.25 179.85 3i64 h LEU 187 N 0.00 0.37 -0.13 0.00 5.85 0.06 -3.14 115.31 118.32 3i64 h LEU 187 Ca -0.00 -0.96 -0.20 0.00 0.84 0.00 0.00 57.88 57.56 3i64 h LEU 187 Cb 0.10 -0.12 0.01 0.00 0.37 0.00 0.00 40.66 41.02 3i64 h LEU 187 CO 0.00 1.32 -0.71 -0.07 -0.34 0.00 0.00 178.44 178.65 3i64 h LEU 188 N -0.50 0.85 -2.49 2.25 3.38 -0.33 -1.64 115.31 116.83 3i64 h LEU 188 Ca -0.12 -0.64 -0.00 0.00 0.09 0.00 0.00 57.88 57.21 3i64 h LEU 188 Cb 1.52 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 3i64 h LEU 188 CO 0.12 1.35 -0.02 0.00 0.09 0.00 0.00 178.44 179.98 3i64 h THR 189 N 0.40 0.42 0.00 0.22 1.03 -1.00 -1.60 112.91 112.39 3i64 h THR 189 Ca -0.05 -0.08 0.00 0.00 -0.01 0.00 0.00 66.41 66.27 3i64 h THR 189 Cb 1.35 1.05 0.00 0.00 -1.07 0.00 0.00 68.15 69.48 3i64 h THR 189 CO 0.15 0.02 -1.27 0.00 -0.01 0.00 0.00 175.52 174.40 3i64 n ALA 190 N -2.27 3.47 -3.50 0.00 0.00 -1.12 -4.72 120.51 112.38 3i64 n ALA 190 Ca -0.03 -0.46 -0.28 0.00 0.00 0.00 0.00 53.44 52.66 3i64 n ALA 190 Cb 0.10 -0.88 -0.12 0.00 0.00 0.00 0.00 19.45 18.56 3i64 n ALA 190 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3i64 s HIS 191 N -3.25 1.17 1.37 0.00 3.76 -0.60 -5.08 115.29 112.66 3i64 s HIS 191 Ca 0.01 -2.06 -0.20 0.00 -0.15 0.00 0.00 55.06 52.67 3i64 s HIS 191 Cb 0.14 -1.15 0.35 0.00 1.11 0.00 0.00 32.58 33.04 3i64 s HIS 191 CO 0.84 -0.81 0.94 -1.21 -0.85 0.00 0.00 174.74 173.65 3i64 s GLU 192 N 0.51 -2.53 0.00 1.40 2.02 -1.21 -2.39 118.70 116.49 3i64 s GLU 192 Ca 0.23 0.40 0.00 0.00 0.02 0.00 0.00 54.97 55.62 3i64 s GLU 192 Cb -0.13 -1.40 0.00 0.00 0.10 0.00 0.00 34.13 32.70 3i64 s GLU 192 CO -0.07 -4.68 0.00 -0.25 0.02 0.00 0.00 175.26 170.28 3i64 n ASP 193 N -5.53 0.00 -4.63 -0.19 10.43 -1.26 -4.93 116.55 110.44 3i64 n ASP 193 Ca 0.09 0.00 -0.34 0.00 2.57 0.00 0.00 54.79 57.10 3i64 n ASP 193 Cb 0.58 -0.91 -0.10 0.00 1.84 0.00 0.00 41.12 42.53 3i64 n ASP 193 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 3i64 s LEU 194 N 0.00 3.37 0.25 0.64 2.96 -1.01 -4.84 118.68 120.06 3i64 s LEU 194 Ca 0.00 0.06 0.07 0.00 -0.22 0.00 0.00 54.13 54.04 3i64 s LEU 194 Cb 0.00 -1.75 -0.05 0.00 0.50 0.00 0.00 46.19 44.88 3i64 s LEU 194 CO 0.00 0.37 -0.10 -0.94 -1.32 0.00 0.00 176.35 174.36 3i64 s SER 195 N -0.81 2.71 0.30 3.68 1.04 0.06 -4.89 113.70 115.79 3i64 s SER 195 Ca 0.12 -1.12 -0.16 0.00 0.48 0.00 0.00 55.95 55.28 3i64 s SER 195 Cb -0.11 -0.16 0.02 0.00 0.10 0.00 0.00 66.02 65.87 3i64 s SER 195 CO 0.02 -0.26 0.65 -0.83 0.98 0.00 0.00 173.24 173.79 3i64 s GLY 196 N -3.40 0.34 -0.03 7.32 0.00 0.46 -1.09 107.32 110.93 3i64 s GLY 196 Ca 0.27 -0.69 -0.01 0.00 0.00 0.00 0.00 44.72 44.30 3i64 s GLY 196 CO 0.10 -0.38 0.04 -1.59 0.00 0.00 0.00 173.10 171.27 3i64 s THR 197 N -3.49 -0.03 -0.18 0.90 2.01 0.17 -0.59 115.64 114.42 3i64 s THR 197 Ca 0.17 0.27 -0.16 0.00 0.31 0.00 0.00 61.69 62.28 3i64 s THR 197 Cb -0.04 -0.14 -0.04 0.00 0.01 0.00 0.00 72.50 72.29 3i64 s THR 197 CO 0.10 0.13 0.41 -0.69 -0.69 0.00 0.00 174.62 173.88 3i64 s VAL 198 N 1.46 5.20 -0.17 3.82 1.01 0.60 0.18 120.40 132.49 3i64 s VAL 198 Ca -0.04 0.76 -0.01 0.00 0.00 0.00 0.00 61.98 62.69 3i64 s VAL 198 Cb -0.13 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.51 3i64 s VAL 198 CO -0.03 0.27 -0.14 -0.22 0.00 0.00 0.00 175.10 174.98 3i64 s LEU 199 N 1.16 2.50 0.00 3.92 0.20 -0.91 -1.57 118.68 123.97 3i64 s LEU 199 Ca 0.20 -0.49 -0.03 0.00 0.69 0.00 0.00 54.13 54.50 3i64 s LEU 199 Cb -0.15 -1.58 0.01 0.00 -0.43 0.00 0.00 46.19 44.04 3i64 s LEU 199 CO 0.08 0.04 0.16 -0.67 -0.29 0.00 0.00 176.35 175.68 3i64 n ASP 200 N 4.34 -0.39 -4.89 3.68 -0.08 -1.19 0.70 116.55 118.73 3i64 n ASP 200 Ca -0.19 -1.25 -0.29 0.00 -1.51 0.00 0.00 54.79 51.55 3i64 n ASP 200 Cb 0.51 0.64 0.08 0.00 2.34 0.00 0.00 41.12 44.69 3i64 n ASP 200 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 3i64 s LEU 201 N 0.00 2.57 0.17 -2.67 1.43 -1.26 -1.13 118.68 117.79 3i64 s LEU 201 Ca 0.03 0.88 -0.28 0.00 -1.03 0.00 0.00 54.13 53.73 3i64 s LEU 201 Cb -0.01 -3.43 -0.01 0.00 0.03 0.00 0.00 46.19 42.77 3i64 s LEU 201 CO 0.02 -1.80 1.55 1.56 0.23 0.00 0.00 176.35 177.90 3i64 h GLN 202 N -0.98 -0.14 0.00 1.70 4.20 -1.94 0.34 115.11 118.28 3i64 h GLN 202 Ca -0.46 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.26 3i64 h GLN 202 Cb 1.31 0.03 0.00 0.00 0.30 0.00 0.00 27.48 29.12 3i64 h GLN 202 CO 0.65 -0.10 0.00 0.41 -0.67 0.00 0.00 178.83 179.13 3i64 n GLY 203 N -1.35 -3.17 0.23 3.46 0.00 -1.26 -0.09 105.19 103.01 3i64 n GLY 203 Ca 0.02 0.54 -0.05 0.00 0.00 0.00 0.00 46.02 46.53 3i64 n GLY 203 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3i64 h PRO 204 N 0.00 0.68 -0.85 1.61 0.11 -1.89 -2.46 132.00 129.20 3i64 h PRO 204 Ca 0.00 -0.04 0.08 0.00 0.11 0.00 0.00 66.00 66.15 3i64 h PRO 204 Cb 0.00 -0.15 -0.06 0.00 0.11 0.00 0.00 31.00 30.90 3i64 h PRO 204 CO 0.00 0.45 0.56 0.00 -0.21 0.00 0.00 178.00 178.80 3i64 h ALA 205 N 1.26 1.63 -0.19 -0.75 0.00 -0.71 0.32 119.26 120.82 3i64 h ALA 205 Ca 0.24 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 3i64 h ALA 205 Cb 0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3i64 h ALA 205 CO -0.10 0.21 -0.23 1.03 0.00 0.00 0.00 179.25 180.17 3i64 h SER 206 N 0.88 0.34 0.93 0.00 0.87 -0.04 -1.67 113.55 114.86 3i64 h SER 206 Ca 0.38 -0.10 -0.22 0.00 -1.23 0.00 0.00 61.79 60.62 3i64 h SER 206 Cb 0.34 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 3i64 h SER 206 CO -0.15 0.58 -1.09 0.00 -0.53 0.00 0.00 176.83 175.63 3i64 h ALA 207 N 1.45 0.39 -0.07 6.23 0.00 -0.66 -2.50 119.26 124.10 3i64 h ALA 207 Ca 0.05 -0.97 -0.01 0.00 0.00 0.00 0.00 54.91 53.98 3i64 h ALA 207 Cb 0.58 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 3i64 h ALA 207 CO 0.04 1.28 -0.00 0.00 0.00 0.00 0.00 179.25 180.57 3i64 h ALA 208 N 0.98 0.10 -0.23 0.00 0.00 -0.24 -1.47 119.26 118.40 3i64 h ALA 208 Ca -0.05 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 54.72 3i64 h ALA 208 Cb 1.81 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.54 3i64 h ALA 208 CO 0.13 -0.23 0.06 1.25 0.00 0.00 0.00 179.25 180.46 3i64 h HIS 209 N -0.16 0.11 -0.99 0.00 6.17 -1.37 0.09 115.15 119.00 3i64 h HIS 209 Ca 0.02 0.01 0.09 0.00 0.71 0.00 0.00 60.37 61.20 3i64 h HIS 209 Cb 0.34 -0.01 -0.07 0.00 2.52 0.00 0.00 27.41 30.18 3i64 h HIS 209 CO 0.03 0.04 0.63 -0.09 0.71 0.00 0.00 177.93 179.26 3i64 h ARG 210 N 0.16 1.05 0.50 5.26 2.43 -1.39 -1.17 114.38 121.22 3i64 h ARG 210 Ca 0.10 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 3i64 h ARG 210 Cb 0.09 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 3i64 h ARG 210 CO -0.12 0.70 -0.24 -0.09 -1.51 0.00 0.00 179.97 178.70 3i64 h ARG 211 N 1.08 -0.65 -0.61 0.20 2.43 -0.12 -2.69 114.38 114.02 3i64 h ARG 211 Ca 0.46 0.04 0.04 0.00 -0.81 0.00 0.00 59.98 59.71 3i64 h ARG 211 Cb 0.30 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.97 3i64 h ARG 211 CO -0.21 -0.39 0.40 0.74 -1.51 0.00 0.00 179.97 179.00 3i64 h PHE 212 N -0.77 0.66 -0.88 2.20 0.04 -0.63 -0.77 116.94 116.80 3i64 h PHE 212 Ca -0.07 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.70 3i64 h PHE 212 Cb 0.56 -0.22 -0.04 0.00 2.20 0.00 0.00 35.95 38.45 3i64 h PHE 212 CO -0.02 0.38 0.48 -0.07 -0.60 0.00 0.00 178.31 178.47 3i64 h LEU 213 N 0.68 1.10 0.09 1.54 3.38 -1.04 0.75 115.31 121.81 3i64 h LEU 213 Ca 0.25 -0.10 -0.26 0.00 0.09 0.00 0.00 57.88 57.87 3i64 h LEU 213 Cb 0.15 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3i64 h LEU 213 CO -0.07 0.88 -1.19 0.44 0.09 0.00 0.00 178.44 178.59 3i64 h ASP 214 N 1.23 0.29 -0.24 -0.43 5.19 -1.02 -3.21 116.42 118.24 3i64 h ASP 214 Ca 0.31 -0.32 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 3i64 h ASP 214 Cb 0.03 -0.10 0.00 0.00 0.18 0.00 0.00 39.33 39.45 3i64 h ASP 214 CO -0.05 1.25 0.00 0.35 -3.12 0.00 0.00 179.24 177.67 3i64 n THR 215 N -3.47 0.32 -3.65 0.35 -2.24 -0.37 -4.90 114.28 100.31 3i64 n THR 215 Ca -0.06 -0.32 -0.23 0.00 -2.27 0.00 0.00 64.05 61.16 3i64 n THR 215 Cb 1.00 0.17 0.06 0.00 -2.10 0.00 0.00 70.33 69.46 3i64 n THR 215 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i64 n GLY 216 N 0.90 -0.44 0.23 3.38 0.00 -0.87 -4.91 105.19 103.49 3i64 n GLY 216 Ca 0.09 0.18 0.03 0.00 0.00 0.00 0.00 46.02 46.31 3i64 n GLY 216 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i64 n LEU 217 N -4.59 1.77 0.24 0.99 4.77 0.20 -4.67 117.00 115.72 3i64 n LEU 217 Ca -0.11 -1.34 0.13 0.00 -0.03 0.00 0.00 56.01 54.66 3i64 n LEU 217 Cb 0.60 -0.04 0.72 0.00 -2.33 0.00 0.00 43.42 42.37 3i64 n LEU 217 CO 0.67 0.41 0.97 0.77 -1.33 0.00 0.00 177.39 178.88 3i64 h SER 218 N 0.98 0.00 0.72 -1.43 4.64 -1.76 0.65 113.55 117.34 3i64 h SER 218 Ca 0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 3i64 h SER 218 Cb 0.35 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.42 3i64 h SER 218 CO 0.00 0.00 -0.82 1.23 -0.87 0.00 0.00 176.83 176.37 3i64 h GLY 219 N 0.00 0.07 0.00 -0.77 0.00 -1.91 -3.34 103.07 97.12 3i64 h GLY 219 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3i64 h GLY 219 CO 0.00 0.11 -0.32 0.54 0.00 0.00 0.00 176.54 176.88 3i64 n ARG 220 N -3.62 4.98 -3.76 4.80 1.74 -0.38 -4.99 116.66 115.43 3i64 n ARG 220 Ca -0.02 -0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.70 3i64 n ARG 220 Cb 0.77 -0.72 -0.11 0.00 -1.02 0.00 0.00 32.46 31.39 3i64 n ARG 220 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i64 s ALA 221 N -1.46 3.42 0.13 7.54 0.00 0.21 -0.40 121.76 131.21 3i64 s ALA 221 Ca 0.01 -0.96 0.10 0.00 0.00 0.00 0.00 51.96 51.10 3i64 s ALA 221 Cb 0.02 -2.19 -0.04 0.00 0.00 0.00 0.00 23.12 20.91 3i64 s ALA 221 CO 0.13 -0.26 -0.24 -1.14 0.00 0.00 0.00 175.76 174.26 3i64 s GLN 222 N 1.19 1.29 0.08 0.00 0.74 0.24 -4.51 119.66 118.69 3i64 s GLN 222 Ca 0.06 -1.30 0.09 0.00 0.05 0.00 0.00 55.36 54.26 3i64 s GLN 222 Cb -0.14 -1.65 -0.03 0.00 1.10 0.00 0.00 33.01 32.29 3i64 s GLN 222 CO 0.05 0.38 -0.23 0.08 -0.55 0.00 0.00 175.29 175.02 3i64 s VAL 223 N -1.24 1.86 -0.20 1.34 1.01 -1.26 -0.29 120.40 121.61 3i64 s VAL 223 Ca 0.12 -1.42 -0.04 0.00 0.00 0.00 0.00 61.98 60.64 3i64 s VAL 223 Cb -0.09 -1.64 0.10 0.00 0.00 0.00 0.00 36.38 34.75 3i64 s VAL 223 CO 0.06 0.14 0.27 -0.69 0.00 0.00 0.00 175.10 174.87 3i64 s VAL 224 N -0.95 -0.41 -0.01 2.92 1.01 -0.61 -4.91 120.40 117.43 3i64 s VAL 224 Ca 0.09 -0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.74 3i64 s VAL 224 Cb -0.10 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 3i64 s VAL 224 CO 0.03 -0.12 1.20 -0.69 0.00 0.00 0.00 175.10 175.51 3i64 s VAL 225 N 2.40 4.19 0.00 2.92 1.01 -1.26 -3.17 120.40 126.50 3i64 s VAL 225 Ca 0.07 1.55 0.00 0.00 0.00 0.00 0.00 61.98 63.60 3i64 s VAL 225 Cb -0.15 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.24 3i64 s VAL 225 CO -0.12 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.63 3i64 n GLY 226 N 3.30 1.09 3.79 4.51 0.00 -0.29 -4.95 105.19 112.65 3i64 n GLY 226 Ca 0.10 -0.84 -0.39 0.00 0.00 0.00 0.00 46.02 44.89 3i64 n GLY 226 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i64 s SER 227 N 0.00 7.10 0.00 1.61 0.15 -1.26 -4.13 113.70 117.16 3i64 s SER 227 Ca 0.00 1.31 0.00 0.00 0.70 0.00 0.00 55.95 57.96 3i64 s SER 227 Cb 0.00 -2.39 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 3i64 s SER 227 CO 0.00 0.22 0.91 2.22 1.20 0.00 0.00 173.24 177.79 3i64 n PHE 228 N 1.95 0.00 0.86 3.44 1.16 -1.26 -2.31 117.46 121.30 3i64 n PHE 228 Ca -0.09 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.60 3i64 n PHE 228 Cb 0.50 -0.01 0.05 0.00 -1.61 0.00 0.00 39.48 38.41 3i64 n PHE 228 CO 0.00 0.00 0.00 1.19 -1.87 0.00 0.00 176.76 176.08 3i64 n PHE 229 N -0.44 0.07 -3.86 2.97 3.01 -1.26 -4.56 117.46 113.39 3i64 n PHE 229 Ca 0.00 0.02 -0.22 0.00 1.01 0.00 0.00 57.45 58.26 3i64 n PHE 229 Cb 0.03 -0.22 -0.05 0.00 -0.01 0.00 0.00 39.48 39.23 3i64 n PHE 229 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3i64 s ASP 230 N -3.28 4.86 0.25 4.37 1.01 -0.98 -4.99 116.67 117.92 3i64 s ASP 230 Ca 0.08 -0.78 -0.29 0.00 0.71 0.00 0.00 52.55 52.26 3i64 s ASP 230 Cb 0.16 -0.66 -0.15 0.00 1.01 0.00 0.00 42.92 43.28 3i64 s ASP 230 CO 0.79 -0.49 0.96 -2.65 0.21 0.00 0.00 175.17 173.99 3i64 n PRO 231 N -1.35 1.07 -3.60 8.23 -0.02 -1.26 -4.92 135.00 133.15 3i64 n PRO 231 Ca 0.00 0.38 -0.20 0.00 -2.02 0.00 0.00 63.50 61.66 3i64 n PRO 231 Cb 0.62 -1.71 -0.02 0.00 -0.02 0.00 0.00 33.50 32.37 3i64 n PRO 231 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3i64 s LEU 232 N 0.92 3.79 -0.46 2.45 1.43 -1.26 -4.99 118.68 120.56 3i64 s LEU 232 Ca 0.63 -0.34 -0.28 0.00 -1.03 0.00 0.00 54.13 53.11 3i64 s LEU 232 Cb -0.77 -2.51 -0.08 0.00 0.03 0.00 0.00 46.19 42.85 3i64 s LEU 232 CO 0.58 -0.42 2.38 -2.65 0.23 0.00 0.00 176.35 176.47 3i64 n PRO 233 N -1.54 1.15 -1.50 1.29 -0.02 -1.26 -4.88 135.00 128.25 3i64 n PRO 233 Ca -0.00 0.14 -0.30 0.00 -2.02 0.00 0.00 63.50 61.32 3i64 n PRO 233 Cb 0.59 -3.12 0.08 0.00 -0.02 0.00 0.00 33.50 31.02 3i64 n PRO 233 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3i64 s ALA 234 N 10.59 2.36 -0.26 3.55 0.00 -1.26 -4.39 121.76 132.34 3i64 s ALA 234 Ca 1.03 -0.03 0.00 0.00 0.00 0.00 0.00 51.96 52.97 3i64 s ALA 234 Cb -0.38 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.58 3i64 s ALA 234 CO 0.33 -1.58 0.00 0.41 0.00 0.00 0.00 175.76 174.91 3i64 n GLY 235 N -1.88 0.58 3.89 0.00 0.00 -0.24 -5.05 105.19 102.49 3i64 n GLY 235 Ca 0.07 -0.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 3i64 n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i64 s ALA 236 N -2.07 3.04 0.18 4.61 0.00 -1.26 -4.97 121.76 121.28 3i64 s ALA 236 Ca 0.00 -0.36 -0.07 0.00 0.00 0.00 0.00 51.96 51.53 3i64 s ALA 236 Cb 0.00 -2.94 0.08 0.00 0.00 0.00 0.00 23.12 20.26 3i64 s ALA 236 CO 0.00 -0.94 1.55 0.78 0.00 0.00 0.00 175.76 177.14 3i64 h GLY 237 N -0.45 0.88 -4.51 0.00 0.00 -0.72 -3.40 103.07 94.86 3i64 h GLY 237 Ca -0.45 -0.85 -0.13 0.00 0.00 0.00 0.00 47.33 45.90 3i64 h GLY 237 CO 0.63 0.77 -0.40 -0.32 0.00 0.00 0.00 176.54 177.22 3i64 s GLY 238 N -3.90 -0.02 -0.23 4.60 0.00 -1.06 -2.13 107.32 104.58 3i64 s GLY 238 Ca -0.10 -0.01 0.01 0.00 0.00 0.00 0.00 44.72 44.63 3i64 s GLY 238 CO 0.86 -0.18 -0.08 -0.19 0.00 0.00 0.00 173.10 173.50 3i64 s TYR 239 N -1.60 2.62 -0.10 1.90 1.51 -0.21 -0.41 117.35 121.06 3i64 s TYR 239 Ca -0.13 -1.84 -0.14 0.00 -1.01 0.00 0.00 57.07 53.96 3i64 s TYR 239 Cb -0.06 -1.69 -0.05 0.00 -0.11 0.00 0.00 41.96 40.06 3i64 s TYR 239 CO 0.01 -0.79 0.33 0.08 -1.11 0.00 0.00 175.55 174.07 3i64 s VAL 240 N 1.32 5.24 -0.56 0.71 1.01 0.24 -0.67 120.40 127.70 3i64 s VAL 240 Ca -0.05 0.63 0.03 0.00 0.00 0.00 0.00 61.98 62.59 3i64 s VAL 240 Cb -0.18 -3.64 0.14 0.00 0.00 0.00 0.00 36.38 32.69 3i64 s VAL 240 CO -0.07 0.47 0.31 -0.76 0.00 0.00 0.00 175.10 175.05 3i64 s LEU 241 N -0.17 4.49 -0.44 3.92 1.43 -0.22 -0.80 118.68 126.89 3i64 s LEU 241 Ca 0.19 -3.09 -0.16 0.00 -1.03 0.00 0.00 54.13 50.04 3i64 s LEU 241 Cb -0.14 -1.67 0.04 0.00 0.03 0.00 0.00 46.19 44.45 3i64 s LEU 241 CO 0.07 -0.23 0.41 -0.55 0.23 0.00 0.00 176.35 176.28 3i64 s SER 242 N -0.30 6.16 -1.30 2.29 0.15 -1.26 -0.99 113.70 118.45 3i64 s SER 242 Ca 0.18 -0.95 -0.06 0.00 0.70 0.00 0.00 55.95 55.82 3i64 s SER 242 Cb -0.23 -2.20 0.01 0.00 -1.71 0.00 0.00 66.02 61.88 3i64 s SER 242 CO -0.02 -0.60 0.80 0.00 1.20 0.00 0.00 173.24 174.63 3i64 n ALA 243 N 5.43 -1.02 -0.02 5.45 0.00 -0.24 -4.90 120.51 125.21 3i64 n ALA 243 Ca -0.10 0.31 -0.06 0.00 0.00 0.00 0.00 53.44 53.59 3i64 n ALA 243 Cb 0.46 -4.28 -0.02 0.00 0.00 0.00 0.00 19.45 15.61 3i64 n ALA 243 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i64 n VAL 244 N -4.57 1.12 -0.33 0.00 0.31 -1.26 -4.71 118.33 108.89 3i64 n VAL 244 Ca -0.05 0.15 0.18 0.00 -0.01 0.00 0.00 64.34 64.62 3i64 n VAL 244 Cb 0.58 -1.83 0.39 0.00 -0.91 0.00 0.00 33.84 32.07 3i64 n VAL 244 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3i64 h LEU 245 N -0.41 0.55 -0.16 7.52 4.07 -1.91 0.22 115.31 125.18 3i64 h LEU 245 Ca -0.09 0.16 0.00 0.00 0.08 0.00 0.00 57.88 58.02 3i64 h LEU 245 Cb 0.68 0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.51 3i64 h LEU 245 CO -0.06 0.02 0.00 0.00 -1.08 0.00 0.00 178.44 177.32 3i64 n HIS 246 N -4.97 0.22 1.13 1.13 1.44 -1.26 -1.87 115.22 111.05 3i64 n HIS 246 Ca 0.27 0.08 0.14 0.00 -2.01 0.00 0.00 57.72 56.20 3i64 n HIS 246 Cb 0.78 -0.64 0.53 0.00 0.12 0.00 0.00 29.99 30.79 3i64 n HIS 246 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3i64 n ASP 247 N -1.70 0.24 -4.43 4.39 8.00 0.76 -2.05 116.55 121.77 3i64 n ASP 247 Ca 0.04 -0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.31 3i64 n ASP 247 Cb 0.21 -0.19 -0.10 0.00 -0.02 0.00 0.00 41.12 41.02 3i64 n ASP 247 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 3i64 s TRP 248 N -2.84 2.11 1.04 1.24 0.52 -0.78 -4.42 118.94 115.81 3i64 s TRP 248 Ca 0.18 -0.40 -0.16 0.00 0.02 0.00 0.00 56.10 55.73 3i64 s TRP 248 Cb 0.19 -0.94 0.22 0.00 -1.15 0.00 0.00 33.47 31.79 3i64 s TRP 248 CO 0.55 0.59 1.21 0.16 0.02 0.00 0.00 176.95 179.48 3i64 s ASP 249 N -3.37 2.40 0.08 2.95 1.47 -1.25 -4.12 116.67 114.83 3i64 s ASP 249 Ca 0.27 0.53 -0.29 0.00 1.18 0.00 0.00 52.55 54.24 3i64 s ASP 249 Cb -0.04 -0.75 -0.17 0.00 -0.34 0.00 0.00 42.92 41.62 3i64 s ASP 249 CO 0.12 -3.20 1.67 0.44 0.68 0.00 0.00 175.17 174.88 3i64 h ASP 250 N -1.95 -0.51 -0.29 2.11 3.32 -1.94 -0.98 116.42 116.18 3i64 h ASP 250 Ca -0.46 0.02 0.07 0.00 0.02 0.00 0.00 57.03 56.68 3i64 h ASP 250 Cb 1.28 0.14 -0.08 0.00 0.22 0.00 0.00 39.33 40.88 3i64 h ASP 250 CO 0.41 -0.35 -0.29 -0.07 -1.72 0.00 0.00 179.24 177.23 3i64 h LEU 251 N -0.56 -0.94 -0.35 1.55 4.07 -2.01 -1.72 115.31 115.35 3i64 h LEU 251 Ca -0.05 0.16 0.02 0.00 0.08 0.00 0.00 57.88 58.10 3i64 h LEU 251 Cb 0.44 0.44 -0.03 0.00 1.08 0.00 0.00 40.66 42.59 3i64 h LEU 251 CO 0.08 -0.31 0.18 0.28 -1.08 0.00 0.00 178.44 177.58 3i64 h SER 252 N -0.28 0.26 -0.88 -0.43 0.02 -1.92 -2.37 113.55 107.95 3i64 h SER 252 Ca 0.15 0.02 0.11 0.00 -0.84 0.00 0.00 61.79 61.22 3i64 h SER 252 Cb 0.51 -0.03 -0.07 0.00 0.14 0.00 0.00 62.40 62.95 3i64 h SER 252 CO -0.45 0.19 0.57 0.00 -1.14 0.00 0.00 176.83 176.01 3i64 h ALA 253 N 1.18 1.70 -0.05 3.77 0.00 -0.47 0.95 119.26 126.34 3i64 h ALA 253 Ca 0.15 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.87 3i64 h ALA 253 Cb 0.06 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 3i64 h ALA 253 CO -0.10 0.11 -0.78 -0.39 0.00 0.00 0.00 179.25 178.08 3i64 h VAL 254 N 0.82 1.40 0.53 0.00 -1.51 -1.02 -0.23 116.25 116.24 3i64 h VAL 254 Ca 0.42 -2.25 -0.02 0.00 -1.23 0.00 0.00 66.70 63.62 3i64 h VAL 254 Cb 0.49 2.21 -0.01 0.00 -2.13 0.00 0.00 31.29 31.85 3i64 h VAL 254 CO -0.18 0.67 -0.33 0.00 -1.23 0.00 0.00 177.57 176.50 3i64 h ALA 255 N 0.92 -0.83 -0.64 5.19 0.00 -0.69 0.56 119.26 123.75 3i64 h ALA 255 Ca -0.04 -0.16 0.11 0.00 0.00 0.00 0.00 54.91 54.82 3i64 h ALA 255 Cb 1.37 0.42 -0.08 0.00 0.00 0.00 0.00 17.79 19.49 3i64 h ALA 255 CO 0.13 -0.98 0.22 0.82 0.00 0.00 0.00 179.25 179.43 3i64 h ILE 256 N -0.82 0.71 -0.44 0.00 2.04 -0.83 -1.77 117.51 116.41 3i64 h ILE 256 Ca -0.06 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.66 3i64 h ILE 256 Cb 0.67 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.03 3i64 h ILE 256 CO 0.06 0.07 0.22 -0.07 0.00 0.00 0.00 178.15 178.42 3i64 h LEU 257 N 0.37 0.57 -0.68 1.44 3.38 -0.41 -2.75 115.31 117.24 3i64 h LEU 257 Ca 0.33 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 58.24 3i64 h LEU 257 Cb 0.46 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 3i64 h LEU 257 CO -0.36 0.52 0.39 0.03 0.09 0.00 0.00 178.44 179.11 3i64 h ARG 258 N 0.57 0.71 -0.84 1.13 3.08 0.91 0.14 114.38 120.08 3i64 h ARG 258 Ca 0.15 -0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.24 3i64 h ARG 258 Cb 0.10 -0.16 -0.07 0.00 0.08 0.00 0.00 29.97 29.92 3i64 h ARG 258 CO -0.02 0.47 0.50 0.00 -1.07 0.00 0.00 179.97 179.85 3i64 h ARG 259 N 0.73 0.85 -0.34 0.04 2.47 -1.16 0.36 114.38 117.33 3i64 h ARG 259 Ca 0.30 -0.05 -0.08 0.00 -1.26 0.00 0.00 59.98 58.88 3i64 h ARG 259 Cb 0.15 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.27 3i64 h ARG 259 CO -0.16 0.56 -0.12 0.00 0.56 0.00 0.00 179.97 180.81 3i64 h ALA 261 N 0.79 -0.43 0.30 0.00 0.00 0.49 0.17 119.26 120.59 3i64 h ALA 261 Ca 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3i64 h ALA 261 Cb 0.64 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 3i64 h ALA 261 CO 0.04 -0.80 -0.45 0.93 0.00 0.00 0.00 179.25 178.98 3i64 h GLU 262 N -0.46 -0.77 -0.11 0.00 5.08 -0.28 0.15 114.58 118.19 3i64 h GLU 262 Ca 0.04 0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.49 3i64 h GLU 262 Cb 0.50 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 3i64 h GLU 262 CO -0.18 -0.51 0.08 0.00 -1.00 0.00 0.00 179.01 177.40 3i64 h ALA 263 N -0.46 2.08 0.03 3.43 0.00 -1.10 -2.16 119.26 121.07 3i64 h ALA 263 Ca -0.02 -0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.66 3i64 h ALA 263 Cb 0.75 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3i64 h ALA 263 CO -0.15 -0.14 -1.08 0.00 0.00 0.00 0.00 179.25 177.88 3i64 h ALA 264 N 1.94 0.31 -0.90 0.00 0.00 -0.01 -0.61 119.26 119.99 3i64 h ALA 264 Ca 0.05 -0.92 0.00 0.00 0.00 0.00 0.00 54.91 54.04 3i64 h ALA 264 Cb 0.22 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3i64 h ALA 264 CO -0.00 1.20 0.00 0.41 0.00 0.00 0.00 179.25 180.86 3i64 n GLY 265 N 1.40 0.95 0.77 0.00 0.00 0.48 -1.20 105.19 107.58 3i64 n GLY 265 Ca -0.02 -0.75 0.04 0.00 0.00 0.00 0.00 46.02 45.29 3i64 n GLY 265 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i64 n SER 266 N -3.10 2.16 -0.00 1.61 3.41 -1.26 -4.01 113.62 112.43 3i64 n SER 266 Ca 0.00 -2.15 0.02 0.00 -0.26 0.00 0.00 58.87 56.48 3i64 n SER 266 Cb 0.00 -0.35 -0.02 0.00 -0.26 0.00 0.00 64.21 63.58 3i64 n SER 266 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i64 n GLY 267 N 0.71 0.20 3.56 5.00 0.00 -1.10 -5.00 105.19 108.56 3i64 n GLY 267 Ca 0.11 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 3i64 n GLY 267 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i64 n GLY 268 N 1.81 3.25 3.41 -0.02 0.00 -0.34 -4.93 105.19 108.37 3i64 n GLY 268 Ca -0.00 -2.34 -0.27 0.00 0.00 0.00 0.00 46.02 43.41 3i64 n GLY 268 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i64 s VAL 269 N -2.70 2.31 -0.32 1.61 -7.23 -0.90 -4.59 120.40 108.58 3i64 s VAL 269 Ca 0.12 -1.94 -0.00 0.00 -1.81 0.00 0.00 61.98 58.34 3i64 s VAL 269 Cb -0.01 -2.08 0.07 0.00 0.56 0.00 0.00 36.38 34.92 3i64 s VAL 269 CO 0.08 -0.05 0.03 -0.69 -0.31 0.00 0.00 175.10 174.15 3i64 s VAL 270 N -1.48 2.82 -0.47 1.32 1.01 0.14 -1.05 120.40 122.70 3i64 s VAL 270 Ca 0.18 -1.68 -0.16 0.00 0.00 0.00 0.00 61.98 60.33 3i64 s VAL 270 Cb -0.09 -2.75 0.06 0.00 0.00 0.00 0.00 36.38 33.61 3i64 s VAL 270 CO 0.09 -0.27 0.40 -0.76 0.00 0.00 0.00 175.10 174.55 3i64 s LEU 271 N 1.16 5.50 -0.30 3.92 1.02 0.16 -0.87 118.68 129.27 3i64 s LEU 271 Ca -0.01 -1.23 -0.18 0.00 0.02 0.00 0.00 54.13 52.72 3i64 s LEU 271 Cb -0.20 -2.20 -0.02 0.00 0.02 0.00 0.00 46.19 43.79 3i64 s LEU 271 CO -0.03 -0.63 0.54 0.54 0.02 0.00 0.00 176.35 176.78 3i64 s VAL 272 N 1.72 5.02 -0.38 -1.59 0.11 0.07 -1.05 120.40 124.30 3i64 s VAL 272 Ca 0.05 0.68 -0.08 0.00 -2.93 0.00 0.00 61.98 59.71 3i64 s VAL 272 Cb -0.23 -3.91 0.06 0.00 -1.53 0.00 0.00 36.38 30.77 3i64 s VAL 272 CO 0.08 -0.07 0.18 -0.63 -3.33 0.00 0.00 175.10 171.32 3i64 s ILE 273 N 2.41 3.98 0.34 7.04 1.01 -0.16 -0.93 121.20 134.89 3i64 s ILE 273 Ca 0.21 -1.28 -0.03 0.00 0.00 0.00 0.00 60.65 59.56 3i64 s ILE 273 Cb -0.15 -3.35 0.00 0.00 0.01 0.00 0.00 42.46 38.96 3i64 s ILE 273 CO 0.11 -0.35 0.47 -0.70 0.00 0.00 0.00 174.94 174.48 3i64 s GLU 274 N 1.40 1.90 -0.79 2.79 2.12 -0.99 -1.08 118.70 124.06 3i64 s GLU 274 Ca 0.01 -1.75 -0.15 0.00 0.36 0.00 0.00 54.97 53.44 3i64 s GLU 274 Cb -0.21 0.44 0.19 0.00 0.26 0.00 0.00 34.13 34.81 3i64 s GLU 274 CO 0.02 -0.79 0.77 0.00 -0.54 0.00 0.00 175.26 174.73 3i64 s ALA 275 N -3.08 3.92 0.60 6.30 0.00 -1.26 -0.17 121.76 128.07 3i64 s ALA 275 Ca 0.30 -3.11 -0.18 0.00 0.00 0.00 0.00 51.96 48.97 3i64 s ALA 275 Cb -0.00 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.54 3i64 s ALA 275 CO 0.20 -2.33 1.21 0.54 0.00 0.00 0.00 175.76 175.39 3i64 s VAL 276 N 0.74 2.59 -0.36 0.00 0.11 -1.26 -4.67 120.40 117.56 3i64 s VAL 276 Ca 0.17 0.36 -0.33 0.00 -2.93 0.00 0.00 61.98 59.26 3i64 s VAL 276 Cb -0.13 -3.12 -0.10 0.00 -1.53 0.00 0.00 36.38 31.50 3i64 s VAL 276 CO -0.07 -0.09 2.24 0.00 -3.33 0.00 0.00 175.10 173.86 3i64 n ALA 277 N -1.69 1.20 0.00 1.54 0.00 0.25 -1.58 120.51 120.22 3i64 n ALA 277 Ca 0.14 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3i64 n ALA 277 Cb 0.50 -2.68 0.00 0.00 0.00 0.00 0.00 19.45 17.26 3i64 n ALA 277 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i64 n GLY 278 N 6.32 1.38 3.71 0.00 0.00 -1.26 -4.76 105.19 110.59 3i64 n GLY 278 Ca 0.39 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.06 3i64 n GLY 278 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i64 s ASP 279 N -0.10 4.09 0.00 1.61 -0.00 -0.62 -4.86 116.67 116.79 3i64 s ASP 279 Ca 0.00 2.49 0.13 0.00 -0.00 0.00 0.00 52.55 55.17 3i64 s ASP 279 Cb 0.00 -2.60 0.77 0.00 -0.00 0.00 0.00 42.92 41.09 3i64 s ASP 279 CO 0.00 -2.34 1.21 1.21 -0.00 0.00 0.00 175.17 175.25 3i64 n GLU 280 N -2.61 0.53 -0.01 8.23 4.07 -1.24 -1.52 120.64 128.09 3i64 n GLU 280 Ca 0.15 0.00 0.01 0.00 -0.06 0.00 0.00 57.16 57.25 3i64 n GLU 280 Cb 0.49 -1.38 0.01 0.00 -0.06 0.00 0.00 31.44 30.50 3i64 n GLU 280 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 3i64 n HIS 281 N -0.88 0.00 -4.04 4.31 8.25 -1.21 -4.95 115.22 116.71 3i64 n HIS 281 Ca 0.10 -0.44 -0.32 0.00 -0.26 0.00 0.00 57.72 56.80 3i64 n HIS 281 Cb 0.04 -0.05 -0.15 0.00 1.12 0.00 0.00 29.99 30.96 3i64 n HIS 281 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i64 s ALA 282 N -0.94 2.71 0.53 -1.41 0.00 -0.58 -4.96 121.76 117.12 3i64 s ALA 282 Ca 0.02 -2.06 0.02 0.00 0.00 0.00 0.00 51.96 49.94 3i64 s ALA 282 Cb 0.02 -1.76 0.01 0.00 0.00 0.00 0.00 23.12 21.38 3i64 s ALA 282 CO 0.00 -1.39 0.13 0.20 0.00 0.00 0.00 175.76 174.70 3i64 s GLY 283 N 1.05 2.85 0.41 0.00 0.00 -1.26 -4.41 107.32 105.96 3i64 s GLY 283 Ca -0.01 -0.55 0.22 0.00 0.00 0.00 0.00 44.72 44.37 3i64 s GLY 283 CO -0.06 -2.13 1.76 -0.91 0.00 0.00 0.00 173.10 171.77 3i64 h THR 284 N 1.14 0.67 -0.34 0.90 1.35 -1.99 -2.78 112.91 111.85 3i64 h THR 284 Ca -0.42 -1.33 -0.17 0.00 -0.55 0.00 0.00 66.41 63.94 3i64 h THR 284 Cb 1.32 1.88 -0.00 0.00 -1.73 0.00 0.00 68.15 69.61 3i64 h THR 284 CO 0.69 0.28 -0.47 1.23 -0.25 0.00 0.00 175.52 177.00 3i64 h GLY 285 N 2.23 1.00 1.03 5.82 0.00 -1.99 -1.21 103.07 109.94 3i64 h GLY 285 Ca -0.00 -1.10 -0.05 0.00 0.00 0.00 0.00 47.33 46.17 3i64 h GLY 285 CO 0.04 0.99 0.19 1.98 0.00 0.00 0.00 176.54 179.74 3i64 h MET 286 N 0.73 1.01 -0.92 4.80 -1.53 -1.91 -0.80 114.93 116.30 3i64 h MET 286 Ca 0.04 -0.22 -0.01 0.00 -3.44 0.00 0.00 59.70 56.07 3i64 h MET 286 Cb 1.07 -0.14 -0.04 0.00 -0.55 0.00 0.00 31.60 31.93 3i64 h MET 286 CO 0.11 0.89 0.54 0.22 0.14 0.00 0.00 176.91 178.81 3i64 h ASP 287 N 0.94 1.12 -0.63 1.39 3.58 -1.35 0.14 116.42 121.61 3i64 h ASP 287 Ca 0.21 -0.08 -0.09 0.00 0.42 0.00 0.00 57.03 57.49 3i64 h ASP 287 Cb 0.31 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 3i64 h ASP 287 CO -0.00 0.87 0.05 -0.07 -2.88 0.00 0.00 179.24 177.20 3i64 h LEU 288 N 1.28 1.05 -0.41 2.28 3.38 -0.72 -0.93 115.31 121.24 3i64 h LEU 288 Ca 0.33 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 3i64 h LEU 288 Cb -0.03 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.42 3i64 h LEU 288 CO -0.06 1.08 0.23 -0.09 0.09 0.00 0.00 178.44 179.69 3i64 h ARG 289 N 0.99 0.56 -0.71 1.13 2.43 -0.55 0.17 114.38 118.40 3i64 h ARG 289 Ca 0.18 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 3i64 h ARG 289 Cb 0.51 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 29.91 3i64 h ARG 289 CO 0.02 0.44 0.45 0.52 -1.51 0.00 0.00 179.97 179.89 3i64 h MET 290 N 0.53 0.96 -0.07 0.20 2.86 -0.39 0.18 114.93 119.20 3i64 h MET 290 Ca 0.14 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.63 3i64 h MET 290 Cb 0.03 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.49 3i64 h MET 290 CO -0.03 0.66 -0.27 1.25 1.06 0.00 0.00 176.91 179.59 3i64 h LEU 291 N 0.98 0.36 -1.07 1.22 5.85 -0.64 0.15 115.31 122.16 3i64 h LEU 291 Ca 0.26 -0.63 -0.08 0.00 0.84 0.00 0.00 57.88 58.27 3i64 h LEU 291 Cb -0.07 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 3i64 h LEU 291 CO -0.05 0.93 -0.25 0.71 -0.34 0.00 0.00 178.44 179.43 3i64 h THR 292 N -0.18 1.25 0.05 1.05 1.35 -0.41 -0.74 112.91 115.27 3i64 h THR 292 Ca -0.01 -1.19 -0.00 0.00 -0.55 0.00 0.00 66.41 64.65 3i64 h THR 292 Cb 0.90 1.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 3i64 h THR 292 CO 0.06 0.37 -0.02 1.88 -0.25 0.00 0.00 175.52 177.55 3i64 h TYR 293 N 0.32 -0.06 0.00 4.73 -1.99 -1.02 0.54 116.97 119.49 3i64 h TYR 293 Ca 0.05 -0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.78 3i64 h TYR 293 Cb 0.62 0.02 0.00 0.00 2.00 0.00 0.00 36.73 39.37 3i64 h TYR 293 CO 0.01 0.54 0.00 1.19 -0.00 0.00 0.00 178.16 179.91 3i64 n PHE 294 N -4.76 0.00 -2.26 4.88 3.01 -0.97 -4.47 117.46 112.89 3i64 n PHE 294 Ca -0.07 -0.05 -0.04 0.00 1.01 0.00 0.00 57.45 58.29 3i64 n PHE 294 Cb 0.31 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.78 3i64 n PHE 294 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i64 n GLY 295 N -0.05 0.33 0.00 1.37 0.00 -0.28 -4.61 105.19 101.94 3i64 n GLY 295 Ca 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.37 3i64 n GLY 295 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i64 n GLY 296 N -0.94 0.95 3.60 -0.02 0.00 0.47 -3.86 105.19 105.38 3i64 n GLY 296 Ca -0.03 -1.92 -0.07 0.00 0.00 0.00 0.00 46.02 43.99 3i64 n GLY 296 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i64 s LYS 297 N 0.56 0.40 0.34 1.61 -2.85 -0.87 -3.41 119.74 115.52 3i64 s LYS 297 Ca 0.00 0.07 -0.25 0.00 -1.00 0.00 0.00 55.97 54.79 3i64 s LYS 297 Cb 0.00 0.19 -0.10 0.00 -2.06 0.00 0.00 37.83 35.86 3i64 s LYS 297 CO 0.00 -0.13 0.94 -1.21 0.10 0.00 0.00 175.35 175.05 3i64 s GLU 298 N -1.21 4.54 0.21 1.78 2.02 -1.26 -4.43 118.70 120.35 3i64 s GLU 298 Ca 0.03 1.30 0.06 0.00 0.02 0.00 0.00 54.97 56.38 3i64 s GLU 298 Cb -0.01 -2.72 -0.05 0.00 0.10 0.00 0.00 34.13 31.45 3i64 s GLU 298 CO -0.02 0.24 -0.09 1.03 0.02 0.00 0.00 175.26 176.44 3i64 s ARG 299 N -2.19 1.32 0.54 1.61 0.52 -1.26 -4.87 118.95 114.61 3i64 s ARG 299 Ca 0.52 -1.61 -0.01 0.00 -0.52 0.00 0.00 55.73 54.11 3i64 s ARG 299 Cb -0.17 -0.93 0.02 0.00 0.52 0.00 0.00 34.95 34.39 3i64 s ARG 299 CO 0.22 0.08 0.78 -1.54 0.02 0.00 0.00 175.30 174.86 3i64 s SER 300 N -3.31 5.44 0.30 0.23 1.04 -1.26 0.85 113.70 116.99 3i64 s SER 300 Ca 0.24 0.21 0.03 0.00 0.48 0.00 0.00 55.95 56.90 3i64 s SER 300 Cb 0.02 -1.19 0.61 0.00 0.10 0.00 0.00 66.02 65.56 3i64 s SER 300 CO 0.07 -1.04 1.85 0.25 0.98 0.00 0.00 173.24 175.35 3i64 h LEU 301 N 0.08 0.86 0.77 2.42 7.12 -1.95 -0.92 115.31 123.69 3i64 h LEU 301 Ca -0.44 0.04 -0.04 0.00 0.13 0.00 0.00 57.88 57.58 3i64 h LEU 301 Cb 1.28 -0.13 0.01 0.00 -0.53 0.00 0.00 40.66 41.28 3i64 h LEU 301 CO 0.55 0.47 -0.38 0.00 -0.13 0.00 0.00 178.44 178.95 3i64 h ALA 302 N 1.55 -1.06 -0.69 1.25 0.00 -1.99 -2.02 119.26 116.31 3i64 h ALA 302 Ca 0.47 -0.23 0.09 0.00 0.00 0.00 0.00 54.91 55.25 3i64 h ALA 302 Cb 0.51 0.43 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 3i64 h ALA 302 CO -0.24 -1.10 0.46 0.93 0.00 0.00 0.00 179.25 179.30 3i64 h GLU 303 N -1.05 0.57 -0.48 0.00 5.08 -1.73 -0.22 114.58 116.74 3i64 h GLU 303 Ca -0.10 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.11 3i64 h GLU 303 Cb 0.81 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 3i64 h GLU 303 CO 0.16 0.38 -0.14 -0.07 -1.00 0.00 0.00 179.01 178.33 3i64 h LEU 304 N 0.59 0.92 -0.67 1.33 3.38 -1.07 -2.71 115.31 117.07 3i64 h LEU 304 Ca 0.31 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3i64 h LEU 304 Cb 0.46 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3i64 h LEU 304 CO -0.10 1.06 0.33 1.23 0.09 0.00 0.00 178.44 181.04 3i64 h GLY 305 N 0.95 1.03 0.91 0.83 0.00 -0.31 0.20 103.07 106.68 3i64 h GLY 305 Ca 0.12 -0.50 0.05 0.00 0.00 0.00 0.00 47.33 47.01 3i64 h GLY 305 CO 0.05 0.48 0.59 0.83 0.00 0.00 0.00 176.54 178.48 3i64 h GLU 306 N 0.93 1.02 0.16 4.80 5.08 -1.13 0.26 114.58 125.71 3i64 h GLU 306 Ca 0.23 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 3i64 h GLU 306 Cb 0.10 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.12 3i64 h GLU 306 CO -0.03 0.68 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.51 3i64 h LEU 307 N 1.06 -0.18 -1.22 1.33 3.38 -1.08 -2.77 115.31 115.82 3i64 h LEU 307 Ca 0.38 -0.35 0.19 0.00 0.09 0.00 0.00 57.88 58.18 3i64 h LEU 307 Cb 0.14 0.05 -0.09 0.00 0.09 0.00 0.00 40.66 40.85 3i64 h LEU 307 CO -0.13 0.32 0.61 0.00 0.09 0.00 0.00 178.44 179.33 3i64 h ALA 308 N -0.10 1.88 -0.31 1.53 0.00 -0.25 0.15 119.26 122.17 3i64 h ALA 308 Ca -0.02 0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.97 3i64 h ALA 308 Cb 0.52 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3i64 h ALA 308 CO 0.04 -0.21 0.10 0.00 0.00 0.00 0.00 179.25 179.18 3i64 h ALA 309 N 1.62 0.35 0.00 0.00 0.00 -0.39 0.31 119.26 121.14 3i64 h ALA 309 Ca 0.52 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.47 3i64 h ALA 309 Cb 0.97 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.79 3i64 h ALA 309 CO -0.28 -0.30 0.00 1.04 0.00 0.00 0.00 179.25 179.71 3i64 n GLN 310 N -5.04 0.68 -0.00 0.00 6.02 0.47 -2.24 117.38 117.27 3i64 n GLN 310 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 57.01 3i64 n GLN 310 Cb 0.11 -1.35 0.02 0.00 1.02 0.00 0.00 30.24 30.04 3i64 n GLN 310 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i64 n ALA 311 N -0.85 2.45 -1.23 -1.58 0.00 -0.31 -4.96 120.51 114.03 3i64 n ALA 311 Ca 0.11 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.98 3i64 n ALA 311 Cb 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 19.45 19.40 3i64 n ALA 311 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i64 n GLY 312 N 0.14 0.53 3.73 0.00 0.00 -0.79 -4.66 105.19 104.13 3i64 n GLY 312 Ca 0.02 -0.86 -0.28 0.00 0.00 0.00 0.00 46.02 44.90 3i64 n GLY 312 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i64 s LEU 313 N 0.00 2.79 -0.20 0.99 1.43 0.93 -1.50 118.68 123.12 3i64 s LEU 313 Ca 0.00 -1.34 -0.10 0.00 -1.03 0.00 0.00 54.13 51.67 3i64 s LEU 313 Cb 0.00 -1.06 0.07 0.00 0.03 0.00 0.00 46.19 45.23 3i64 s LEU 313 CO 0.00 -0.66 0.46 0.00 0.23 0.00 0.00 176.35 176.38 3i64 s ALA 314 N -2.72 -1.22 0.12 4.21 0.00 -0.14 -3.55 121.76 118.46 3i64 s ALA 314 Ca 0.29 1.67 -0.31 0.00 0.00 0.00 0.00 51.96 53.61 3i64 s ALA 314 Cb 0.05 -1.13 -0.10 0.00 0.00 0.00 0.00 23.12 21.94 3i64 s ALA 314 CO 0.16 -0.43 1.67 0.08 0.00 0.00 0.00 175.76 177.23 3i64 s VAL 315 N 1.80 2.73 -0.01 0.00 1.01 -1.26 -2.72 120.40 121.95 3i64 s VAL 315 Ca -0.07 0.35 0.03 0.00 0.00 0.00 0.00 61.98 62.29 3i64 s VAL 315 Cb -0.09 -3.23 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 3i64 s VAL 315 CO -0.14 0.01 0.07 0.54 0.00 0.00 0.00 175.10 175.59 3i64 n ARG 316 N 4.97 0.25 -3.89 2.72 5.12 0.11 -4.99 116.66 120.95 3i64 n ARG 316 Ca 0.16 -0.03 -0.09 0.00 -1.93 0.00 0.00 57.85 55.95 3i64 n ARG 316 Cb 0.39 -1.07 -0.06 0.00 -1.16 0.00 0.00 32.46 30.56 3i64 n ARG 316 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i64 s ALA 317 N -2.21 -0.25 -0.29 7.54 0.00 -1.14 -5.01 121.76 120.40 3i64 s ALA 317 Ca -0.01 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.29 3i64 s ALA 317 Cb 0.02 0.81 0.18 0.00 0.00 0.00 0.00 23.12 24.13 3i64 s ALA 317 CO 0.14 -0.66 0.50 0.00 0.00 0.00 0.00 175.76 175.73 3i64 s ALA 318 N -3.93 -1.79 -0.20 0.00 0.00 -1.26 -2.49 121.76 112.10 3i64 s ALA 318 Ca 0.13 0.80 -0.06 0.00 0.00 0.00 0.00 51.96 52.84 3i64 s ALA 318 Cb 0.03 -2.24 -0.03 0.00 0.00 0.00 0.00 23.12 20.88 3i64 s ALA 318 CO -0.02 -1.69 0.02 -1.01 0.00 0.00 0.00 175.76 173.05 3i64 s HIS 319 N 2.69 3.07 -0.05 0.00 3.76 -0.95 -4.93 115.29 118.89 3i64 s HIS 319 Ca 0.11 -0.37 -0.27 0.00 -0.15 0.00 0.00 55.06 54.39 3i64 s HIS 319 Cb -0.12 -2.10 -0.03 0.00 1.11 0.00 0.00 32.58 31.44 3i64 s HIS 319 CO -0.26 -0.19 0.84 -1.25 -0.85 0.00 0.00 174.74 173.03 3i64 s PRO 320 N 0.97 4.48 0.00 8.40 0.04 -1.26 -1.09 135.00 146.53 3i64 s PRO 320 Ca 0.02 1.14 0.00 0.00 0.04 0.00 0.00 61.00 62.20 3i64 s PRO 320 Cb -0.14 -3.46 0.00 0.00 0.04 0.00 0.00 34.50 30.93 3i64 s PRO 320 CO 0.02 -0.02 0.00 -0.89 0.04 0.00 0.00 177.00 176.15 3i64 n ILE 321 N 3.92 0.00 -0.21 0.56 2.08 0.46 -4.95 119.36 121.22 3i64 n ILE 321 Ca 0.03 0.00 0.01 0.00 0.56 0.00 0.00 62.75 63.35 3i64 n ILE 321 Cb 0.51 -1.15 0.10 0.00 -0.75 0.00 0.00 39.64 38.35 3i64 n ILE 321 CO 0.00 0.00 0.00 -1.28 0.56 0.00 0.00 176.55 175.83 3i64 h SER 322 N 0.00 -0.34 0.00 4.38 0.87 -1.79 -3.36 113.55 113.31 3i64 h SER 322 Ca 0.00 0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.73 3i64 h SER 322 Cb 0.00 0.30 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 3i64 h SER 322 CO 0.00 -0.14 0.00 -1.22 -0.53 0.00 0.00 176.83 174.94 3i64 n TYR 323 N -5.32 0.00 -3.43 2.24 4.01 -1.25 -4.95 117.16 108.46 3i64 n TYR 323 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 3i64 n TYR 323 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.40 3i64 n TYR 323 CO 0.00 0.00 0.00 1.33 -0.46 0.00 0.00 176.86 177.73 3i64 n VAL 324 N 0.00 0.00 -4.21 -0.72 0.24 -1.26 -3.30 118.33 109.08 3i64 n VAL 324 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.17 3i64 n VAL 324 Cb 0.06 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.32 3i64 n VAL 324 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 3i64 s SER 325 N 0.14 1.53 -0.38 -1.34 0.01 0.76 -0.40 113.70 114.02 3i64 s SER 325 Ca 0.00 -0.95 0.00 0.00 1.31 0.00 0.00 55.95 56.31 3i64 s SER 325 Cb 0.00 0.02 0.11 0.00 0.21 0.00 0.00 66.02 66.36 3i64 s SER 325 CO 0.00 -0.35 0.14 -0.63 0.41 0.00 0.00 173.24 172.81 3i64 s ILE 326 N -3.16 2.82 -0.29 1.44 1.01 -0.25 -2.35 121.20 120.42 3i64 s ILE 326 Ca 0.12 -2.21 -0.20 0.00 0.00 0.00 0.00 60.65 58.37 3i64 s ILE 326 Cb 0.02 -2.99 -0.01 0.00 0.01 0.00 0.00 42.46 39.48 3i64 s ILE 326 CO -0.01 -0.65 0.59 -0.69 0.00 0.00 0.00 174.94 174.18 3i64 s VAL 327 N 1.01 4.98 -0.25 2.92 1.01 -0.10 -2.25 120.40 127.72 3i64 s VAL 327 Ca 0.10 0.86 -0.11 0.00 0.00 0.00 0.00 61.98 62.83 3i64 s VAL 327 Cb -0.21 -3.95 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 3i64 s VAL 327 CO -0.06 -0.07 0.17 -0.70 0.00 0.00 0.00 175.10 174.44 3i64 s GLU 328 N 2.51 4.04 0.03 2.72 2.12 -1.04 -0.75 118.70 128.33 3i64 s GLU 328 Ca 0.24 -0.27 0.07 0.00 0.36 0.00 0.00 54.97 55.36 3i64 s GLU 328 Cb -0.15 -3.57 -0.02 0.00 0.26 0.00 0.00 34.13 30.65 3i64 s GLU 328 CO 0.11 -0.00 -0.20 -1.64 -0.54 0.00 0.00 175.26 172.99 3i64 s MET 329 N 1.24 1.41 0.36 4.30 -1.94 -0.05 -0.71 119.30 123.92 3i64 s MET 329 Ca 0.08 -0.86 0.03 0.00 -1.71 0.00 0.00 55.69 53.23 3i64 s MET 329 Cb -0.14 -1.47 -0.04 0.00 2.01 0.00 0.00 34.83 35.18 3i64 s MET 329 CO 0.06 0.38 0.09 0.95 -0.01 0.00 0.00 175.02 176.49 3i64 s THR 330 N -0.70 0.90 0.65 2.05 -4.23 -1.10 0.26 115.64 113.47 3i64 s THR 330 Ca 0.07 -2.00 -0.15 0.00 -1.18 0.00 0.00 61.69 58.43 3i64 s THR 330 Cb -0.08 -2.58 -0.01 0.00 1.34 0.00 0.00 72.50 71.17 3i64 s THR 330 CO 0.01 0.00 1.09 0.00 -0.54 0.00 0.00 174.62 175.18 3i64 s ALA 331 N -3.28 2.55 -1.19 3.99 0.00 -1.26 -0.96 121.76 121.60 3i64 s ALA 331 Ca 0.30 0.47 0.10 0.00 0.00 0.00 0.00 51.96 52.83 3i64 s ALA 331 Cb 0.06 -3.28 0.08 0.00 0.00 0.00 0.00 23.12 19.97 3i64 s ALA 331 CO 0.15 -1.16 0.80 1.47 0.00 0.00 0.00 175.76 177.02