#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i64 s ALA 6 N 0.00 -3.36 -0.25 0.00 0.00 -1.26 -5.04 121.76 111.85 3i64 s ALA 6 Ca 0.00 1.02 0.20 0.00 0.00 0.00 0.00 51.96 53.18 3i64 s ALA 6 Cb 0.00 -2.78 0.06 0.00 0.00 0.00 0.00 23.12 20.40 3i64 s ALA 6 CO 0.00 -2.15 1.19 1.12 0.00 0.00 0.00 175.76 175.92 3i64 h HIS 7 N 6.97 0.00 -3.51 0.00 2.07 -2.06 -3.47 115.15 115.14 3i64 h HIS 7 Ca -0.03 0.00 -0.57 0.00 -2.85 0.00 0.00 60.37 56.92 3i64 h HIS 7 Cb 1.19 0.00 0.15 0.00 2.57 0.00 0.00 27.41 31.33 3i64 h HIS 7 CO 0.03 0.20 0.18 0.44 -3.07 0.00 0.00 177.93 175.71 3i64 n ILE 8 N -2.90 3.40 -1.52 6.12 -5.35 -1.26 -4.83 119.36 113.01 3i64 n ILE 8 Ca -0.01 -0.50 -0.52 0.00 -0.27 0.00 0.00 62.75 61.45 3i64 n ILE 8 Cb 0.64 -1.21 -0.05 0.00 -1.74 0.00 0.00 39.64 37.28 3i64 n ILE 8 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i64 n GLY 9 N 1.21 -0.36 0.35 3.28 0.00 -1.26 -4.63 105.19 103.79 3i64 n GLY 9 Ca 0.12 0.59 0.11 0.00 0.00 0.00 0.00 46.02 46.84 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 2.91 -0.68 -1.04 0.99 5.85 -1.96 0.58 115.31 121.96 3i64 h LEU 10 Ca -0.43 0.29 0.02 0.00 0.84 0.00 0.00 57.88 58.60 3i64 h LEU 10 Cb 1.39 0.55 -0.05 0.00 0.37 0.00 0.00 40.66 42.92 3i64 h LEU 10 CO 0.67 -0.35 0.65 0.03 -0.34 0.00 0.00 178.44 179.10 3i64 h ARG 11 N 0.00 1.26 0.00 1.25 2.47 -1.97 -1.03 114.38 116.36 3i64 h ARG 11 Ca 0.55 -0.08 -0.11 0.00 -1.26 0.00 0.00 59.98 59.08 3i64 h ARG 11 Cb 1.02 -0.28 -0.02 0.00 -1.65 0.00 0.00 29.97 29.04 3i64 h ARG 11 CO -0.98 0.83 -0.54 0.00 0.56 0.00 0.00 179.97 179.85 3i64 h ALA 12 N 1.40 1.04 -0.34 0.04 0.00 -0.31 -2.11 119.26 118.99 3i64 h ALA 12 Ca 0.37 -0.49 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 3i64 h ALA 12 Cb -0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3i64 h ALA 12 CO -0.10 0.68 -0.35 -0.07 0.00 0.00 0.00 179.25 179.41 3i64 h LEU 13 N 0.00 0.81 -1.13 0.00 3.38 0.37 -2.97 115.31 115.77 3i64 h LEU 13 Ca -0.01 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.62 3i64 h LEU 13 Cb 1.00 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3i64 h LEU 13 CO 0.07 1.08 0.00 0.00 0.09 0.00 0.00 178.44 179.68 3i64 n ALA 14 N -2.52 2.53 -1.72 1.53 0.00 -0.52 -4.96 120.51 114.85 3i64 n ALA 14 Ca -0.01 -0.52 -0.43 0.00 0.00 0.00 0.00 53.44 52.47 3i64 n ALA 14 Cb 0.51 -1.09 -0.02 0.00 0.00 0.00 0.00 19.45 18.84 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 0.35 3.55 -0.06 0.00 2.03 -0.81 -4.93 116.55 116.69 3i64 n ASP 15 Ca 0.17 1.14 -0.07 0.00 0.52 0.00 0.00 54.79 56.54 3i64 n ASP 15 Cb 0.35 -1.54 -0.06 0.00 -0.72 0.00 0.00 41.12 39.15 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 2.37 2.02 -0.27 -2.67 4.77 -1.26 -4.60 117.00 117.36 3i64 n LEU 16 Ca 0.10 -0.05 0.02 0.00 -0.03 0.00 0.00 56.01 56.06 3i64 n LEU 16 Cb 0.35 -0.22 0.10 0.00 -2.33 0.00 0.00 43.42 41.32 3i64 n LEU 16 CO 0.64 0.56 0.72 0.00 -1.33 0.00 0.00 177.39 177.97 3i64 h ALA 17 N 0.16 0.54 0.39 -1.18 0.00 -1.99 -1.74 119.26 115.43 3i64 h ALA 17 Ca -0.27 0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3i64 h ALA 17 Cb 1.49 0.57 0.00 0.00 0.00 0.00 0.00 17.79 19.85 3i64 h ALA 17 CO -0.02 -0.41 -0.19 1.15 0.00 0.00 0.00 179.25 179.78 3i64 h THR 18 N 0.01 0.57 -0.76 0.00 2.02 -1.99 0.05 112.91 112.81 3i64 h THR 18 Ca 0.37 -0.48 0.15 0.00 0.77 0.00 0.00 66.41 67.22 3i64 h THR 18 Cb 0.58 0.79 -0.10 0.00 -1.74 0.00 0.00 68.15 67.69 3i64 h THR 18 CO -0.78 0.08 0.30 -0.65 0.37 0.00 0.00 175.52 174.84 3i64 h PRO 19 N -0.81 0.42 -0.46 6.66 0.11 -1.74 0.58 132.00 136.76 3i64 h PRO 19 Ca -0.05 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.98 3i64 h PRO 19 Cb 0.53 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 3i64 h PRO 19 CO 0.09 0.27 0.07 1.98 -0.21 0.00 0.00 178.00 180.20 3i64 h MET 20 N 0.43 0.76 -0.70 1.05 4.05 -1.32 -1.56 114.93 117.64 3i64 h MET 20 Ca 0.42 -0.21 0.01 0.00 -0.28 0.00 0.00 59.70 59.65 3i64 h MET 20 Cb 0.66 -0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 31.34 3i64 h MET 20 CO -0.42 0.78 0.46 0.00 0.23 0.00 0.00 176.91 177.96 3i64 h ALA 21 N 0.95 1.52 -0.07 0.39 0.00 0.73 0.32 119.26 123.10 3i64 h ALA 21 Ca 0.14 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3i64 h ALA 21 Cb 0.39 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 3i64 h ALA 21 CO 0.01 0.44 -0.05 0.28 0.00 0.00 0.00 179.25 179.93 3i64 h VAL 22 N 0.93 1.35 -0.14 0.00 2.07 -0.69 -1.91 116.25 117.86 3i64 h VAL 22 Ca 0.26 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 3i64 h VAL 22 Cb -0.08 1.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3i64 h VAL 22 CO -0.06 0.32 0.06 0.03 0.02 0.00 0.00 177.57 177.94 3i64 h ARG 23 N -0.25 0.19 -0.05 1.57 3.08 -0.82 0.26 114.38 118.36 3i64 h ARG 23 Ca 0.01 -0.02 -0.21 0.00 0.07 0.00 0.00 59.98 59.84 3i64 h ARG 23 Cb 0.54 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.55 3i64 h ARG 23 CO 0.01 0.15 -0.85 0.28 -1.07 0.00 0.00 179.97 178.50 3i64 h VAL 24 N 0.19 1.37 -0.62 2.04 2.07 -0.87 -1.21 116.25 119.23 3i64 h VAL 24 Ca 0.05 -2.27 -0.04 0.00 0.82 0.00 0.00 66.70 65.27 3i64 h VAL 24 Cb 0.03 2.25 -0.03 0.00 -1.52 0.00 0.00 31.29 32.02 3i64 h VAL 24 CO -0.01 0.68 0.24 0.00 0.02 0.00 0.00 177.57 178.51 3i64 h ALA 25 N 0.78 0.81 0.50 1.67 0.00 -0.43 0.96 119.26 123.56 3i64 h ALA 25 Ca -0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3i64 h ALA 25 Cb 1.46 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3i64 h ALA 25 CO 0.15 0.43 -0.26 0.00 0.00 0.00 0.00 179.25 179.57 3i64 h ALA 26 N 1.09 -0.70 -1.00 0.00 0.00 -0.83 -1.60 119.26 116.21 3i64 h ALA 26 Ca 0.21 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.02 3i64 h ALA 26 Cb 0.21 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 3i64 h ALA 26 CO -0.02 -0.90 0.65 1.15 0.00 0.00 0.00 179.25 180.14 3i64 h THR 27 N -0.70 1.14 -0.01 0.00 2.02 -0.96 -0.67 112.91 113.72 3i64 h THR 27 Ca -0.07 -0.42 0.00 0.00 0.77 0.00 0.00 66.41 66.69 3i64 h THR 27 Cb 0.55 -0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 3i64 h THR 27 CO 0.10 0.22 0.00 0.18 0.37 0.00 0.00 175.52 176.39 3i64 n LEU 28 N -4.46 0.20 -3.08 2.58 4.32 0.31 -4.89 117.00 111.98 3i64 n LEU 28 Ca 0.14 -0.08 -0.20 0.00 -0.02 0.00 0.00 56.01 55.86 3i64 n LEU 28 Cb 0.13 -0.01 0.00 0.00 -1.62 0.00 0.00 43.42 41.93 3i64 n LEU 28 CO 0.34 0.04 -0.06 0.54 -1.22 0.00 0.00 177.39 177.02 3i64 n ARG 29 N -0.77 -3.30 -0.26 3.23 1.74 -0.26 -4.80 116.66 112.24 3i64 n ARG 29 Ca 0.20 0.56 0.05 0.00 -0.77 0.00 0.00 57.85 57.88 3i64 n ARG 29 Cb 0.13 -5.26 0.19 0.00 -1.02 0.00 0.00 32.46 26.49 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 -0.78 0.69 -0.70 1.55 2.07 -1.69 -1.56 116.25 115.83 3i64 h VAL 30 Ca -0.40 -0.16 -0.03 0.00 0.82 0.00 0.00 66.70 66.92 3i64 h VAL 30 Cb 1.28 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 3i64 h VAL 30 CO 0.49 0.09 0.30 0.00 0.02 0.00 0.00 177.57 178.46 3i64 h ALA 31 N 1.54 1.20 -0.44 1.67 0.00 -1.83 -1.82 119.26 119.58 3i64 h ALA 31 Ca 0.41 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 3i64 h ALA 31 Cb 0.60 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3i64 h ALA 31 CO -0.38 0.59 -0.06 -0.44 0.00 0.00 0.00 179.25 178.96 3i64 h ASP 32 N 1.01 0.81 0.39 0.00 3.32 -1.58 -2.21 116.42 118.16 3i64 h ASP 32 Ca 0.24 -0.34 -0.07 0.00 0.02 0.00 0.00 57.03 56.88 3i64 h ASP 32 Cb 0.16 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 3i64 h ASP 32 CO -0.02 0.96 -0.31 0.45 -1.72 0.00 0.00 179.24 178.59 3i64 h HIS 33 N 0.65 0.00 0.27 4.55 3.86 -1.13 -0.10 115.15 123.25 3i64 h HIS 33 Ca 0.12 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 3i64 h HIS 33 Cb 0.58 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.05 3i64 h HIS 33 CO 0.04 0.31 -0.13 0.82 0.86 0.00 0.00 177.93 179.84 3i64 h ILE 34 N 0.00 0.60 -0.11 2.45 2.04 -1.12 0.92 117.51 122.29 3i64 h ILE 34 Ca -0.00 -0.84 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 3i64 h ILE 34 Cb 0.59 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 3i64 h ILE 34 CO 0.04 0.14 0.03 0.00 0.00 0.00 0.00 178.15 178.36 3i64 h ALA 35 N -0.48 1.85 0.00 1.87 0.00 -1.36 -1.36 119.26 119.77 3i64 h ALA 35 Ca -0.04 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 3i64 h ALA 35 Cb 0.51 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3i64 h ALA 35 CO 0.06 0.13 -0.41 0.00 0.00 0.00 0.00 179.25 179.03 3i64 h ALA 36 N 1.88 1.32 0.00 0.00 0.00 -1.00 -3.47 119.26 118.00 3i64 h ALA 36 Ca 0.04 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.58 3i64 h ALA 36 Cb 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3i64 h ALA 36 CO -0.00 0.51 0.00 0.41 0.00 0.00 0.00 179.25 180.17 3i64 n GLY 37 N -0.35 -0.55 3.33 0.00 0.00 -0.51 -5.08 105.19 102.03 3i64 n GLY 37 Ca -0.02 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.19 3.20 -2.64 1.61 3.76 0.28 -4.88 115.29 116.42 3i64 s HIS 38 Ca 0.00 -1.21 0.24 0.00 -0.15 0.00 0.00 55.06 53.94 3i64 s HIS 38 Cb 0.00 -3.83 0.25 0.00 1.11 0.00 0.00 32.58 30.11 3i64 s HIS 38 CO 0.00 -1.07 1.28 0.54 -0.85 0.00 0.00 174.74 174.63 3i64 n ARG 39 N 5.48 1.91 -4.87 1.40 5.12 -1.26 -3.79 116.66 120.64 3i64 n ARG 39 Ca -0.13 -1.53 -0.33 0.00 -1.93 0.00 0.00 57.85 53.93 3i64 n ARG 39 Cb 0.41 -1.47 -0.13 0.00 -1.16 0.00 0.00 32.46 30.11 3i64 n ARG 39 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3i64 s THR 40 N -2.15 3.07 0.20 0.55 2.01 -1.26 0.69 115.64 118.75 3i64 s THR 40 Ca 0.26 -0.75 -0.21 0.00 0.31 0.00 0.00 61.69 61.30 3i64 s THR 40 Cb 0.20 -2.21 0.14 0.00 0.01 0.00 0.00 72.50 70.64 3i64 s THR 40 CO 0.39 0.57 1.56 0.00 -0.69 0.00 0.00 174.62 176.45 3i64 h ALA 41 N 5.28 -0.06 -0.68 7.40 0.00 -1.93 0.56 119.26 129.83 3i64 h ALA 41 Ca -0.47 0.20 0.12 0.00 0.00 0.00 0.00 54.91 54.76 3i64 h ALA 41 Cb 1.15 0.99 -0.08 0.00 0.00 0.00 0.00 17.79 19.84 3i64 h ALA 41 CO 0.50 -0.71 0.26 0.00 0.00 0.00 0.00 179.25 179.30 3i64 h ALA 42 N 1.05 0.92 0.59 0.00 0.00 -1.95 0.37 119.26 120.23 3i64 h ALA 42 Ca 0.27 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.25 3i64 h ALA 42 Cb 0.56 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.43 3i64 h ALA 42 CO -0.85 -0.19 -0.28 0.93 0.00 0.00 0.00 179.25 178.85 3i64 h GLU 43 N 0.43 -0.77 -0.56 0.00 5.08 -0.71 -1.72 114.58 116.34 3i64 h GLU 43 Ca 0.36 0.05 0.13 0.00 -1.00 0.00 0.00 59.36 58.90 3i64 h GLU 43 Cb 0.49 0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 3i64 h GLU 43 CO -0.35 -0.51 0.39 0.97 -1.00 0.00 0.00 179.01 178.50 3i64 h ILE 44 N -1.17 0.81 -0.05 3.13 2.10 0.01 0.31 117.51 122.66 3i64 h ILE 44 Ca -0.08 -0.07 -0.25 0.00 1.08 0.00 0.00 64.86 65.53 3i64 h ILE 44 Cb 0.61 0.59 0.02 0.00 -1.09 0.00 0.00 36.82 36.94 3i64 h ILE 44 CO 0.13 0.04 -0.96 0.00 -1.08 0.00 0.00 178.15 176.28 3i64 h ALA 45 N 1.72 0.18 0.00 0.18 0.00 -0.28 -0.83 119.26 120.23 3i64 h ALA 45 Ca 0.27 -0.67 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 3i64 h ALA 45 Cb 0.77 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 3i64 h ALA 45 CO -0.05 0.69 -0.44 1.03 0.00 0.00 0.00 179.25 180.48 3i64 h SER 46 N 0.45 0.00 1.69 0.00 0.87 -0.18 0.50 113.55 116.89 3i64 h SER 46 Ca -0.11 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 3i64 h SER 46 Cb 1.61 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.57 3i64 h SER 46 CO 0.19 0.44 -0.07 0.00 -0.53 0.00 0.00 176.83 176.86 3i64 h ALA 47 N 1.56 0.96 0.00 6.23 0.00 -0.36 -3.30 119.26 124.36 3i64 h ALA 47 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3i64 h ALA 47 Cb 0.83 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3i64 h ALA 47 CO 0.06 0.00 -0.88 0.00 0.00 0.00 0.00 179.25 178.43 3i64 n ALA 48 N -1.96 3.10 -1.08 0.00 0.00 -0.33 -5.00 120.51 115.24 3i64 n ALA 48 Ca 0.04 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.18 3i64 n ALA 48 Cb 0.49 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.53 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 1.47 0.47 4.01 0.00 0.00 0.16 -5.01 105.19 106.29 3i64 n GLY 49 Ca 0.01 -0.94 -0.18 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.00 4.45 -0.48 4.61 0.00 -0.30 -5.03 121.76 123.02 3i64 s ALA 50 Ca 0.00 -1.67 -0.27 0.00 0.00 0.00 0.00 51.96 50.02 3i64 s ALA 50 Cb 0.00 -1.68 0.03 0.00 0.00 0.00 0.00 23.12 21.47 3i64 s ALA 50 CO 0.00 -0.41 1.03 -1.58 0.00 0.00 0.00 175.76 174.80 3i64 s HIS 51 N -2.44 2.86 0.07 0.00 5.65 -1.26 -4.56 115.29 115.60 3i64 s HIS 51 Ca 0.56 0.52 -0.13 0.00 0.25 0.00 0.00 55.06 56.25 3i64 s HIS 51 Cb -0.10 -4.21 -0.03 0.00 -1.18 0.00 0.00 32.58 27.07 3i64 s HIS 51 CO 0.34 -1.20 0.82 0.00 -0.65 0.00 0.00 174.74 174.05 3i64 n ALA 52 N 7.53 -0.28 -0.06 1.58 0.00 -1.26 -1.23 120.51 126.79 3i64 n ALA 52 Ca 0.09 0.37 -0.06 0.00 0.00 0.00 0.00 53.44 53.83 3i64 n ALA 52 Cb 0.49 0.01 0.12 0.00 0.00 0.00 0.00 19.45 20.07 3i64 n ALA 52 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3i64 h ASP 53 N 0.00 0.70 -0.24 0.00 3.45 -1.93 -2.19 116.42 116.20 3i64 h ASP 53 Ca 0.07 -0.25 -0.03 0.00 0.43 0.00 0.00 57.03 57.26 3i64 h ASP 53 Cb 0.18 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 38.75 3i64 h ASP 53 CO -0.41 0.91 0.05 0.28 -1.57 0.00 0.00 179.24 178.51 3i64 h SER 54 N 0.61 0.37 -0.86 6.45 0.02 -1.73 -2.78 113.55 115.63 3i64 h SER 54 Ca 0.09 -0.24 0.01 0.00 -0.84 0.00 0.00 61.79 60.80 3i64 h SER 54 Cb 0.71 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.11 3i64 h SER 54 CO 0.05 0.52 0.57 0.25 -1.14 0.00 0.00 176.83 177.09 3i64 h LEU 55 N 0.21 0.99 -1.09 5.07 5.85 -1.11 -1.38 115.31 123.85 3i64 h LEU 55 Ca 0.07 -0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.89 3i64 h LEU 55 Cb 0.30 -0.25 -0.08 0.00 0.37 0.00 0.00 40.66 41.00 3i64 h LEU 55 CO 0.00 0.71 0.61 -0.78 -0.34 0.00 0.00 178.44 178.65 3i64 h ASP 56 N 1.17 0.87 -0.11 1.25 3.58 -1.20 0.16 116.42 122.13 3i64 h ASP 56 Ca 0.32 0.04 -0.11 0.00 0.42 0.00 0.00 57.03 57.70 3i64 h ASP 56 Cb -0.13 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 40.78 3i64 h ASP 56 CO -0.07 0.47 -0.29 0.03 -2.88 0.00 0.00 179.24 176.49 3i64 h ARG 57 N 0.93 0.58 -0.13 0.28 3.08 -1.01 -0.85 114.38 117.27 3i64 h ARG 57 Ca 0.47 -0.25 -0.04 0.00 0.07 0.00 0.00 59.98 60.24 3i64 h ARG 57 Cb 0.50 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 3i64 h ARG 57 CO -0.24 0.81 -0.07 1.25 -1.07 0.00 0.00 179.97 180.65 3i64 h LEU 58 N 0.50 0.30 -0.12 3.04 5.85 -0.39 -2.73 115.31 121.76 3i64 h LEU 58 Ca 0.06 -0.43 0.02 0.00 0.84 0.00 0.00 57.88 58.38 3i64 h LEU 58 Cb 0.76 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 3i64 h LEU 58 CO 0.06 0.66 -0.00 -0.07 -0.34 0.00 0.00 178.44 178.74 3i64 h LEU 59 N -0.06 -0.05 -0.99 2.25 3.38 -0.67 -0.34 115.31 118.82 3i64 h LEU 59 Ca 0.03 0.03 0.19 0.00 0.09 0.00 0.00 57.88 58.22 3i64 h LEU 59 Cb 0.55 0.05 -0.11 0.00 0.09 0.00 0.00 40.66 41.24 3i64 h LEU 59 CO 0.02 -0.01 0.59 -0.09 0.09 0.00 0.00 178.44 179.05 3i64 h ARG 60 N 0.04 0.72 -0.35 1.13 9.65 -1.14 0.64 114.38 125.07 3i64 h ARG 60 Ca 0.06 -0.04 -0.17 0.00 -1.10 0.00 0.00 59.98 58.72 3i64 h ARG 60 Cb 0.07 -0.16 -0.00 0.00 -1.39 0.00 0.00 29.97 28.48 3i64 h ARG 60 CO -0.10 0.48 -0.46 1.25 2.80 0.00 0.00 179.97 183.94 3i64 h HIS 61 N 0.74 1.13 0.00 2.20 2.76 -1.05 -2.09 115.15 118.84 3i64 h HIS 61 Ca 0.58 -0.37 0.00 0.00 -2.20 0.00 0.00 60.37 58.38 3i64 h HIS 61 Cb 0.90 -0.23 0.00 0.00 1.55 0.00 0.00 27.41 29.64 3i64 h HIS 61 CO -0.01 1.20 0.00 -0.07 -1.30 0.00 0.00 177.93 177.75 3i64 h LEU 62 N 0.73 0.00 -0.05 0.26 3.38 0.79 -0.47 115.31 119.96 3i64 h LEU 62 Ca 0.04 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 3i64 h LEU 62 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 3i64 h LEU 62 CO 0.11 0.00 -0.21 0.58 0.09 0.00 0.00 178.44 179.01 3i64 h VAL 63 N 0.00 1.46 -0.68 1.22 2.07 0.34 -0.29 116.25 120.36 3i64 h VAL 63 Ca 0.00 -1.66 0.03 0.00 0.82 0.00 0.00 66.70 65.89 3i64 h VAL 63 Cb 0.71 2.40 -0.04 0.00 -1.52 0.00 0.00 31.29 32.84 3i64 h VAL 63 CO 0.00 0.46 0.45 0.00 0.02 0.00 0.00 177.57 178.50 3i64 h ALA 64 N 0.40 1.60 -0.04 1.67 0.00 -1.05 -0.88 119.26 120.96 3i64 h ALA 64 Ca -0.01 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.76 3i64 h ALA 64 Cb 0.86 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3i64 h ALA 64 CO 0.04 0.34 -0.44 0.28 0.00 0.00 0.00 179.25 179.47 3i64 h VAL 65 N 0.84 1.32 0.00 0.00 2.07 -1.05 -3.47 116.25 115.96 3i64 h VAL 65 Ca 0.27 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 66.24 3i64 h VAL 65 Cb 0.04 1.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 3i64 h VAL 65 CO -0.07 0.45 0.00 0.61 0.02 0.00 0.00 177.57 178.58 3i64 n GLY 66 N -0.20 1.92 0.07 2.17 0.00 -0.33 -5.03 105.19 103.79 3i64 n GLY 66 Ca -0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.92 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 0.75 -4.66 0.99 4.77 -0.16 -4.54 117.00 114.15 3i64 n LEU 67 Ca 0.00 -0.02 -0.30 0.00 -0.03 0.00 0.00 56.01 55.66 3i64 n LEU 67 Cb 0.00 0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 41.10 3i64 n LEU 67 CO 0.00 0.45 -0.26 -0.36 -1.33 0.00 0.00 177.39 175.89 3i64 s PHE 68 N -2.33 2.05 -0.00 -1.77 0.08 -1.13 -1.91 117.98 112.97 3i64 s PHE 68 Ca -0.11 -0.92 0.01 0.00 0.12 0.00 0.00 56.93 56.03 3i64 s PHE 68 Cb 0.04 -1.57 -0.00 0.00 -0.57 0.00 0.00 43.02 40.92 3i64 s PHE 68 CO 0.51 0.20 -0.03 0.95 -0.10 0.00 0.00 175.22 176.75 3i64 s THR 69 N -2.91 0.26 -0.01 0.64 -4.23 0.18 -4.45 115.64 105.12 3i64 s THR 69 Ca 0.19 -0.13 0.05 0.00 -1.18 0.00 0.00 61.69 60.61 3i64 s THR 69 Cb 0.05 -0.23 -0.01 0.00 1.34 0.00 0.00 72.50 73.65 3i64 s THR 69 CO 0.10 0.08 -0.16 -0.60 -0.54 0.00 0.00 174.62 173.49 3i64 s ARG 70 N -0.05 1.29 0.40 3.99 3.52 -1.26 0.20 118.95 127.04 3i64 s ARG 70 Ca 0.01 -0.60 0.08 0.00 -0.13 0.00 0.00 55.73 55.09 3i64 s ARG 70 Cb -0.02 -1.25 -0.01 0.00 -1.56 0.00 0.00 34.95 32.11 3i64 s ARG 70 CO -0.00 0.34 0.43 -0.51 -0.81 0.00 0.00 175.30 174.75 3i64 s ASP 71 N -0.44 5.33 0.64 -2.12 1.01 -0.24 -4.98 116.67 115.88 3i64 s ASP 71 Ca 0.06 -0.57 -0.18 0.00 0.71 0.00 0.00 52.55 52.57 3i64 s ASP 71 Cb -0.06 -0.70 -0.01 0.00 1.01 0.00 0.00 42.92 43.15 3i64 s ASP 71 CO -0.00 -0.63 1.28 -0.83 0.21 0.00 0.00 175.17 175.20 3i64 s GLY 72 N -4.18 2.83 0.00 0.21 0.00 -1.26 -2.48 107.32 102.43 3i64 s GLY 72 Ca 0.49 1.17 0.00 0.00 0.00 0.00 0.00 44.72 46.38 3i64 s GLY 72 CO 0.29 1.59 0.00 -0.18 0.00 0.00 0.00 173.10 174.80 3i64 n GLN 73 N -1.86 0.00 -0.96 2.90 -0.06 -1.26 -4.29 117.38 111.86 3i64 n GLN 73 Ca 0.15 0.09 0.00 0.00 -2.00 0.00 0.00 57.00 55.24 3i64 n GLN 73 Cb 0.48 -2.26 0.00 0.00 -4.06 0.00 0.00 30.24 24.41 3i64 n GLN 73 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3i64 n GLY 74 N -2.70 0.51 3.76 1.69 0.00 -1.04 -4.97 105.19 102.44 3i64 n GLY 74 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3i64 n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i64 s VAL 75 N -2.27 2.53 0.12 1.61 1.01 -1.21 -4.13 120.40 118.07 3i64 s VAL 75 Ca 0.00 0.51 0.10 0.00 0.00 0.00 0.00 61.98 62.58 3i64 s VAL 75 Cb 0.00 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 3i64 s VAL 75 CO 0.00 0.11 -0.23 -0.31 0.00 0.00 0.00 175.10 174.66 3i64 s TYR 76 N -0.78 2.03 0.07 5.22 1.51 0.22 -1.07 117.35 124.54 3i64 s TYR 76 Ca 0.53 -0.40 -0.06 0.00 -1.01 0.00 0.00 57.07 56.13 3i64 s TYR 76 Cb -0.42 -1.10 -0.02 0.00 -0.11 0.00 0.00 41.96 40.32 3i64 s TYR 76 CO 0.52 0.28 0.11 0.20 -1.11 0.00 0.00 175.55 175.56 3i64 s GLY 77 N -2.06 0.23 0.17 0.71 0.00 0.13 -4.73 107.32 101.77 3i64 s GLY 77 Ca 0.11 -0.82 -0.18 0.00 0.00 0.00 0.00 44.72 43.83 3i64 s GLY 77 CO 0.05 -0.97 0.65 1.08 0.00 0.00 0.00 173.10 173.91 3i64 s LEU 78 N -2.83 4.39 0.00 0.66 1.43 -1.26 0.51 118.68 121.58 3i64 s LEU 78 Ca 0.05 1.31 -0.08 0.00 -1.03 0.00 0.00 54.13 54.38 3i64 s LEU 78 Cb 0.06 -3.34 0.18 0.00 0.03 0.00 0.00 46.19 43.11 3i64 s LEU 78 CO -0.10 0.11 1.16 0.35 0.23 0.00 0.00 176.35 178.10 3i64 n THR 79 N 1.00 0.00 0.27 5.49 -2.24 -0.80 -4.82 114.28 113.18 3i64 n THR 79 Ca -0.05 -1.32 0.12 0.00 -2.27 0.00 0.00 64.05 60.54 3i64 n THR 79 Cb 0.51 -1.17 0.78 0.00 -2.10 0.00 0.00 70.33 68.36 3i64 n THR 79 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 3i64 h GLU 80 N 0.00 0.00 0.09 -0.78 4.11 -1.90 -2.11 114.58 113.99 3i64 h GLU 80 Ca -0.38 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 58.85 3i64 h GLU 80 Cb 1.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 3i64 h GLU 80 CO 0.33 0.06 -0.99 0.74 0.07 0.00 0.00 179.01 179.23 3i64 h PHE 81 N 0.00 0.33 -1.11 2.06 -1.00 -1.86 -3.30 116.94 112.06 3i64 h PHE 81 Ca -0.00 -0.24 0.32 0.00 2.81 0.00 0.00 57.97 60.86 3i64 h PHE 81 Cb 0.14 -0.01 -0.04 0.00 3.61 0.00 0.00 35.95 39.64 3i64 h PHE 81 CO 0.00 1.38 0.98 0.78 -1.61 0.00 0.00 178.31 179.85 3i64 h GLY 82 N -0.38 0.00 0.35 -1.45 0.00 -1.29 0.15 103.07 100.44 3i64 h GLY 82 Ca -0.21 0.00 0.05 0.00 0.00 0.00 0.00 47.33 47.17 3i64 h GLY 82 CO 0.04 0.00 -0.18 0.83 0.00 0.00 0.00 176.54 177.22 3i64 h GLU 83 N 0.00 -0.21 0.00 4.80 4.39 -1.55 -1.12 114.58 120.90 3i64 h GLU 83 Ca 0.53 0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.24 3i64 h GLU 83 Cb 2.48 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 31.18 3i64 h GLU 83 CO -0.01 -0.14 0.36 1.96 -1.16 0.00 0.00 179.01 180.02 3i64 h GLN 84 N -0.21 0.00 -0.00 2.33 4.20 -0.91 0.45 115.11 120.96 3i64 h GLN 84 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 3i64 h GLN 84 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 3i64 h GLN 84 CO -0.30 0.00 -0.04 -0.11 -0.67 0.00 0.00 178.83 177.72 3i64 n LEU 85 N -2.37 0.11 -4.78 1.46 7.94 -0.42 -4.22 117.00 114.71 3i64 n LEU 85 Ca -0.01 0.25 -0.36 0.00 -1.11 0.00 0.00 56.01 54.77 3i64 n LEU 85 Cb 0.39 -0.29 -0.03 0.00 0.53 0.00 0.00 43.42 44.01 3i64 n LEU 85 CO 0.08 0.02 0.75 -0.60 -1.11 0.00 0.00 177.39 176.53 3i64 s ARG 86 N -2.62 4.06 0.00 1.96 6.06 0.16 -4.67 118.95 123.90 3i64 s ARG 86 Ca 0.26 1.54 0.23 0.00 -2.50 0.00 0.00 55.73 55.26 3i64 s ARG 86 Cb 0.20 -2.47 1.08 0.00 0.06 0.00 0.00 34.95 33.82 3i64 s ARG 86 CO 0.48 -0.24 1.74 -3.47 -2.50 0.00 0.00 175.30 171.32 3i64 n ASP 87 N -0.23 0.00 -0.43 -2.12 -0.08 -1.26 -2.84 116.55 109.58 3i64 n ASP 87 Ca 0.06 0.18 0.05 0.00 -1.51 0.00 0.00 54.79 53.58 3i64 n ASP 87 Cb 0.50 -0.38 0.04 0.00 2.34 0.00 0.00 41.12 43.62 3i64 n ASP 87 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 3i64 n ASP 88 N -1.38 1.89 -4.66 1.67 5.68 -1.26 -4.96 116.55 113.54 3i64 n ASP 88 Ca 0.09 -1.45 -0.37 0.00 -0.50 0.00 0.00 54.79 52.56 3i64 n ASP 88 Cb 0.22 0.02 0.07 0.00 -1.14 0.00 0.00 41.12 40.28 3i64 n ASP 88 CO 0.00 0.00 0.00 1.57 -1.33 0.00 0.00 177.20 177.44 3i64 n HIS 89 N 0.59 1.21 -0.08 2.11 -0.00 -1.13 -4.91 115.22 113.01 3i64 n HIS 89 Ca 0.06 0.42 -0.07 0.00 0.46 0.00 0.00 57.72 58.59 3i64 n HIS 89 Cb 0.27 -2.18 -0.01 0.00 -0.12 0.00 0.00 29.99 27.96 3i64 n HIS 89 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3i64 h ALA 90 N 0.34 -0.10 -0.83 1.57 0.00 -1.95 -2.56 119.26 115.73 3i64 h ALA 90 Ca -0.49 0.10 0.16 0.00 0.00 0.00 0.00 54.91 54.68 3i64 h ALA 90 Cb 1.35 0.56 -0.10 0.00 0.00 0.00 0.00 17.79 19.60 3i64 h ALA 90 CO 0.51 -0.67 0.38 0.00 0.00 0.00 0.00 179.25 179.47 3i64 h ALA 91 N 0.85 1.25 -1.63 0.00 0.00 -1.94 -3.46 119.26 114.33 3i64 h ALA 91 Ca 0.16 0.11 -0.12 0.00 0.00 0.00 0.00 54.91 55.06 3i64 h ALA 91 Cb 0.48 0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.35 3i64 h ALA 91 CO -0.45 -0.19 -0.18 0.41 0.00 0.00 0.00 179.25 178.84 3i64 n GLY 92 N -1.33 0.31 0.11 0.00 0.00 -0.96 -4.98 105.19 98.33 3i64 n GLY 92 Ca 0.17 -0.52 -0.17 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.39 0.24 -0.76 1.61 1.57 -1.86 -3.38 116.57 113.61 3i64 h LYS 93 Ca -0.16 -0.32 0.27 0.00 -1.87 0.00 0.00 60.65 58.57 3i64 h LYS 93 Cb 1.11 0.11 -0.14 0.00 0.08 0.00 0.00 32.23 33.39 3i64 h LYS 93 CO 0.17 1.08 0.25 -2.13 -0.57 0.00 0.00 179.45 178.25 3i64 n ARG 94 N -4.33 -0.05 0.22 3.15 0.63 -1.26 0.52 116.66 115.53 3i64 n ARG 94 Ca -0.11 1.08 0.09 0.00 -0.92 0.00 0.00 57.85 57.99 3i64 n ARG 94 Cb 0.65 -1.84 0.43 0.00 0.45 0.00 0.00 32.46 32.15 3i64 n ARG 94 CO 0.00 0.00 0.00 1.57 -2.51 0.00 0.00 177.63 176.69 3i64 h LYS 95 N 0.00 0.00 0.00 -0.14 2.10 -1.94 0.03 116.57 116.62 3i64 h LYS 95 Ca 0.57 0.00 -0.07 0.00 -2.00 0.00 0.00 60.65 59.15 3i64 h LYS 95 Cb 1.39 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.71 3i64 h LYS 95 CO -0.64 0.24 -0.33 -1.49 -2.00 0.00 0.00 179.45 175.23 3i64 h TRP 96 N 0.00 0.00 0.03 0.07 4.06 -0.16 -3.24 115.95 116.70 3i64 h TRP 96 Ca -0.00 0.00 -0.31 0.00 2.06 0.00 0.00 58.89 60.63 3i64 h TRP 96 Cb 0.78 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.89 3i64 h TRP 96 CO 0.00 0.33 -1.82 1.28 -3.56 0.00 0.00 178.44 174.67 3i64 n LEU 97 N -3.27 1.23 -4.62 -4.49 4.77 -1.02 -2.72 117.00 106.88 3i64 n LEU 97 Ca 0.02 0.34 -0.55 0.00 -0.03 0.00 0.00 56.01 55.79 3i64 n LEU 97 Cb 0.60 -0.10 -0.07 0.00 -2.33 0.00 0.00 43.42 41.52 3i64 n LEU 97 CO 0.37 0.50 0.99 -0.67 -1.33 0.00 0.00 177.39 177.25 3i64 n ASP 98 N -3.12 1.65 0.00 -1.43 -0.08 -0.03 -4.63 116.55 108.91 3i64 n ASP 98 Ca -0.21 1.11 0.04 0.00 -1.51 0.00 0.00 54.79 54.22 3i64 n ASP 98 Cb 1.06 -1.14 0.23 0.00 2.34 0.00 0.00 41.12 43.60 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 3.20 0.51 -0.01 -0.67 2.81 -1.26 -2.28 117.12 119.41 3i64 n MET 99 Ca 0.21 0.00 0.08 0.00 -1.81 0.00 0.00 57.70 56.18 3i64 n MET 99 Cb 0.15 -1.24 -0.12 0.00 -0.71 0.00 0.00 33.22 31.31 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 -0.74 1.18 -4.84 7.83 3.02 -1.26 -4.12 115.26 116.33 3i64 n ASN 100 Ca 0.06 -0.22 -0.32 0.00 -0.03 0.00 0.00 54.58 54.07 3i64 n ASN 100 Cb 0.03 1.55 0.00 0.00 -0.61 0.00 0.00 39.78 40.75 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 -3.50 6.14 0.39 6.41 1.04 -0.97 -4.87 113.70 118.35 3i64 s SER 101 Ca -0.03 1.57 0.12 0.00 0.48 0.00 0.00 55.95 58.09 3i64 s SER 101 Cb 0.11 -2.50 0.92 0.00 0.10 0.00 0.00 66.02 64.65 3i64 s SER 101 CO 0.66 -0.92 1.92 0.00 0.98 0.00 0.00 173.24 175.88 3i64 h ALA 102 N 0.15 1.94 0.20 5.32 0.00 -1.86 -1.27 119.26 123.74 3i64 h ALA 102 Ca -0.45 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.11 3i64 h ALA 102 Cb 1.20 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.89 3i64 h ALA 102 CO 0.60 -0.13 -1.70 0.28 0.00 0.00 0.00 179.25 178.30 3i64 h VAL 103 N 0.56 1.00 0.00 0.00 2.07 -1.89 -1.40 116.25 116.59 3i64 h VAL 103 Ca 0.37 -2.56 -0.03 0.00 0.82 0.00 0.00 66.70 65.30 3i64 h VAL 103 Cb 0.66 2.81 -0.00 0.00 -1.52 0.00 0.00 31.29 33.23 3i64 h VAL 103 CO -0.14 0.85 -0.14 1.23 0.02 0.00 0.00 177.57 179.40 3i64 h GLY 104 N 0.65 0.00 0.42 2.17 0.00 -1.27 0.08 103.07 105.11 3i64 h GLY 104 Ca -0.33 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.67 3i64 h GLY 104 CO 0.19 0.00 -1.82 -2.13 0.00 0.00 0.00 176.54 172.78 3i64 n ARG 105 N -3.60 0.70 0.14 4.80 0.63 -0.51 -4.17 116.66 114.65 3i64 n ARG 105 Ca -0.01 0.35 0.04 0.00 -0.92 0.00 0.00 57.85 57.30 3i64 n ARG 105 Cb 0.27 -1.71 0.45 0.00 0.45 0.00 0.00 32.46 31.92 3i64 n ARG 105 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 3i64 h GLY 106 N 0.50 0.22 2.00 5.14 0.00 -0.95 -2.26 103.07 107.72 3i64 h GLY 106 Ca -0.41 -0.12 -0.05 0.00 0.00 0.00 0.00 47.33 46.75 3i64 h GLY 106 CO -0.01 0.11 -0.24 -0.55 0.00 0.00 0.00 176.54 175.85 3i64 h ASP 107 N 0.20 0.00 0.24 0.19 5.19 -1.16 -0.45 116.42 120.63 3i64 h ASP 107 Ca 0.05 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 3i64 h ASP 107 Cb 0.25 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.76 3i64 h ASP 107 CO 0.01 0.24 0.00 0.18 -3.12 0.00 0.00 179.24 176.56 3i64 n LEU 108 N -3.76 0.03 0.07 1.55 4.77 -0.85 -0.82 117.00 117.98 3i64 n LEU 108 Ca -0.01 0.51 0.10 0.00 -0.03 0.00 0.00 56.01 56.58 3i64 n LEU 108 Cb 0.35 -0.51 0.43 0.00 -2.33 0.00 0.00 43.42 41.36 3i64 n LEU 108 CO 0.34 -0.40 0.82 0.61 -1.33 0.00 0.00 177.39 177.43 3i64 n GLY 109 N -0.78 -1.23 0.27 -0.72 0.00 -0.18 -2.21 105.19 100.34 3i64 n GLY 109 Ca 0.02 0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.18 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 0.00 1.61 0.05 -1.16 -1.11 116.94 116.33 3i64 h PHE 110 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 3i64 h PHE 110 Cb 0.37 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.32 3i64 h PHE 110 CO 0.00 0.08 0.04 -0.24 -0.18 0.00 0.00 178.31 178.01 3i64 h VAL 111 N 0.00 0.00 -0.45 -0.55 3.04 -1.66 0.18 116.25 116.81 3i64 h VAL 111 Ca -0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 66.70 65.60 3i64 h VAL 111 Cb 0.20 0.80 -0.05 0.00 -2.01 0.00 0.00 31.29 30.23 3i64 h VAL 111 CO 0.01 0.00 0.07 -0.62 -1.01 0.00 0.00 177.57 176.02 3i64 n GLU 112 N -2.81 3.28 -0.18 4.17 -0.58 -0.42 -4.70 120.64 119.41 3i64 n GLU 112 Ca -0.02 -3.01 -0.01 0.00 -0.42 0.00 0.00 57.16 53.70 3i64 n GLU 112 Cb 0.10 -2.01 0.08 0.00 -0.57 0.00 0.00 31.44 29.04 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 2.25 -0.16 -1.14 -4.62 6.46 -0.75 -1.48 115.31 115.86 3i64 h LEU 113 Ca 0.11 0.12 0.38 0.00 -0.12 0.00 0.00 57.88 58.37 3i64 h LEU 113 Cb 1.81 0.20 -0.15 0.00 -0.73 0.00 0.00 40.66 41.79 3i64 h LEU 113 CO 0.43 -0.06 0.65 0.00 -0.62 0.00 0.00 178.44 178.85 3i64 h ALA 114 N 1.47 2.26 -0.52 1.25 0.00 -1.84 0.51 119.26 122.41 3i64 h ALA 114 Ca 0.28 0.18 -0.07 0.00 0.00 0.00 0.00 54.91 55.30 3i64 h ALA 114 Cb 0.43 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3i64 h ALA 114 CO -0.43 -0.91 0.05 1.25 0.00 0.00 0.00 179.25 179.20 3i64 h HIS 115 N 0.17 0.95 0.05 0.00 -0.00 -1.65 -1.79 115.15 112.89 3i64 h HIS 115 Ca 0.78 -0.15 -0.00 0.00 -0.00 0.00 0.00 60.37 61.00 3i64 h HIS 115 Cb 2.09 -0.25 0.00 0.00 -0.00 0.00 0.00 27.41 29.24 3i64 h HIS 115 CO -0.01 0.87 -0.02 0.77 -0.00 0.00 0.00 177.93 179.54 3i64 h SER 116 N 0.76 -0.05 0.60 3.26 0.02 -0.05 -0.74 113.55 117.34 3i64 h SER 116 Ca 0.15 -0.29 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 3i64 h SER 116 Cb 0.46 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.01 3i64 h SER 116 CO 0.02 0.27 0.00 2.30 -1.14 0.00 0.00 176.83 178.27 3i64 n ILE 117 N -4.97 0.79 -0.01 3.27 -6.64 -0.75 0.16 119.36 111.21 3i64 n ILE 117 Ca -0.08 0.20 -0.13 0.00 -1.77 0.00 0.00 62.75 60.96 3i64 n ILE 117 Cb 0.19 -0.90 -0.14 0.00 -1.44 0.00 0.00 39.64 37.35 3i64 n ILE 117 CO 0.00 0.00 0.00 -1.14 -1.77 0.00 0.00 176.55 173.64 3i64 n ARG 118 N -1.50 0.68 0.00 6.28 0.63 -0.68 -4.61 116.66 117.47 3i64 n ARG 118 Ca 0.04 0.29 0.00 0.00 -0.92 0.00 0.00 57.85 57.26 3i64 n ARG 118 Cb 0.20 -1.77 0.00 0.00 0.45 0.00 0.00 32.46 31.35 3i64 n ARG 118 CO 0.00 0.00 0.00 0.25 -2.51 0.00 0.00 177.63 175.37 3i64 n THR 119 N -3.21 0.00 -0.42 5.15 -2.24 -0.31 -5.00 114.28 108.25 3i64 n THR 119 Ca -0.22 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 3i64 n THR 119 Cb 1.05 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.92 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 1.94 1.22 3.94 3.38 0.00 0.41 -5.04 105.19 111.03 3i64 n GLY 120 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.35 2.82 0.69 1.61 -1.52 -1.25 -4.83 119.66 116.84 3i64 s GLN 121 Ca 0.00 -0.26 -0.13 0.00 -1.95 0.00 0.00 55.36 53.02 3i64 s GLN 121 Cb 0.00 -2.36 0.01 0.00 -0.22 0.00 0.00 33.01 30.44 3i64 s GLN 121 CO 0.00 -0.66 1.09 -1.25 -0.25 0.00 0.00 175.29 174.23 3i64 s PRO 122 N -4.88 2.70 -0.10 2.91 0.04 -1.26 -4.19 135.00 130.22 3i64 s PRO 122 Ca 0.54 1.24 0.18 0.00 0.04 0.00 0.00 61.00 62.99 3i64 s PRO 122 Cb -0.10 -1.95 -0.26 0.00 0.04 0.00 0.00 34.50 32.23 3i64 s PRO 122 CO 0.42 -1.31 0.24 0.00 0.04 0.00 0.00 177.00 176.39 3i64 n ALA 123 N -2.82 2.13 -0.23 8.56 0.00 0.97 -4.50 120.51 124.62 3i64 n ALA 123 Ca 0.09 -0.82 0.04 0.00 0.00 0.00 0.00 53.44 52.76 3i64 n ALA 123 Cb 0.53 -0.39 0.16 0.00 0.00 0.00 0.00 19.45 19.74 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 0.25 -0.44 0.00 5.03 -1.41 -0.69 116.97 119.70 3i64 h TYR 124 Ca -0.24 0.04 0.04 0.00 2.58 0.00 0.00 58.73 61.15 3i64 h TYR 124 Cb 1.49 -0.00 -0.04 0.00 1.55 0.00 0.00 36.73 39.73 3i64 h TYR 124 CO 0.00 -0.07 0.21 -1.35 -1.32 0.00 0.00 178.16 175.63 3i64 h PRO 125 N 0.27 0.41 -0.84 1.82 0.11 -1.77 -0.28 132.00 131.72 3i64 h PRO 125 Ca 0.38 -0.02 0.20 0.00 0.11 0.00 0.00 66.00 66.67 3i64 h PRO 125 Cb 0.63 -0.09 -0.12 0.00 0.11 0.00 0.00 31.00 31.53 3i64 h PRO 125 CO -0.48 0.27 0.30 0.28 -0.21 0.00 0.00 178.00 178.17 3i64 h VAL 126 N 0.42 0.48 0.00 3.15 2.07 -1.37 1.44 116.25 122.45 3i64 h VAL 126 Ca 0.19 -0.12 -0.19 0.00 0.82 0.00 0.00 66.70 67.40 3i64 h VAL 126 Cb 0.11 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 29.95 3i64 h VAL 126 CO -0.14 0.06 -1.28 -0.09 0.02 0.00 0.00 177.57 176.14 3i64 h ARG 127 N 0.35 0.00 -0.17 1.57 2.43 -1.24 -3.38 114.38 113.95 3i64 h ARG 127 Ca 0.50 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.67 3i64 h ARG 127 Cb 0.92 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 3i64 h ARG 127 CO -0.53 0.47 0.00 0.66 -1.51 0.00 0.00 179.97 179.06 3i64 n TYR 128 N -3.04 0.22 -4.00 2.20 4.02 -0.16 -5.00 117.16 111.39 3i64 n TYR 128 Ca -0.08 -0.47 -0.31 0.00 -0.01 0.00 0.00 57.90 57.03 3i64 n TYR 128 Cb 0.89 -0.04 0.01 0.00 -0.02 0.00 0.00 39.34 40.18 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 0.03 -0.45 0.00 2.72 0.00 0.49 -4.90 105.19 103.08 3i64 n GLY 129 Ca 0.06 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3i64 n GLY 129 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3i64 n THR 130 N -4.55 0.00 -2.06 2.61 5.66 -1.22 -5.05 114.28 109.67 3i64 n THR 130 Ca 0.01 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.73 3i64 n THR 130 Cb 0.53 0.00 0.06 0.00 -1.55 0.00 0.00 70.33 69.38 3i64 n THR 130 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 3i64 s SER 131 N 0.00 5.07 0.04 1.09 1.04 -1.26 -3.13 113.70 116.56 3i64 s SER 131 Ca 0.00 0.80 -0.24 0.00 0.48 0.00 0.00 55.95 56.98 3i64 s SER 131 Cb 0.00 -1.51 -0.17 0.00 0.10 0.00 0.00 66.02 64.43 3i64 s SER 131 CO 0.00 -1.50 1.55 0.15 0.98 0.00 0.00 173.24 174.42 3i64 h PHE 132 N -0.66 -0.00 -0.49 5.02 3.57 -1.95 -1.72 116.94 120.72 3i64 h PHE 132 Ca -0.45 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.01 3i64 h PHE 132 Cb 1.29 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.01 3i64 h PHE 132 CO 0.40 0.20 0.16 -1.49 -2.23 0.00 0.00 178.31 175.35 3i64 h TRP 133 N -0.20 0.78 -0.49 0.41 -0.00 -1.96 -0.78 115.95 113.72 3i64 h TRP 133 Ca -0.00 -0.07 0.08 0.00 -0.00 0.00 0.00 58.89 58.90 3i64 h TRP 133 Cb 0.20 -0.23 -0.07 0.00 -0.00 0.00 0.00 29.16 29.06 3i64 h TRP 133 CO -0.01 0.67 0.10 0.93 -0.00 0.00 0.00 178.44 180.14 3i64 h GLU 134 N 0.66 0.23 0.07 0.49 5.08 -1.94 0.30 114.58 119.48 3i64 h GLU 134 Ca 0.16 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.52 3i64 h GLU 134 Cb 0.25 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 3i64 h GLU 134 CO -0.01 0.15 -0.18 0.22 -1.00 0.00 0.00 179.01 178.20 3i64 h ASP 135 N 0.24 -0.50 -0.06 1.42 3.58 -0.83 -1.88 116.42 118.40 3i64 h ASP 135 Ca 0.24 0.06 -0.03 0.00 0.42 0.00 0.00 57.03 57.73 3i64 h ASP 135 Cb 0.32 0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.55 3i64 h ASP 135 CO -0.31 -0.25 -0.03 -0.07 -2.88 0.00 0.00 179.24 175.69 3i64 h LEU 136 N -0.32 0.23 -1.00 2.28 3.38 -0.51 -1.53 115.31 117.83 3i64 h LEU 136 Ca 0.04 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.89 3i64 h LEU 136 Cb 0.36 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3i64 h LEU 136 CO -0.12 0.30 -0.21 1.23 0.09 0.00 0.00 178.44 179.74 3i64 h GLY 137 N 0.57 0.52 -0.61 0.83 0.00 0.25 -3.00 103.07 101.63 3i64 h GLY 137 Ca 0.06 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 46.99 3i64 h GLY 137 CO 0.01 0.36 -0.26 -1.14 0.00 0.00 0.00 176.54 175.51 3i64 n SER 138 N -4.15 1.73 -3.66 0.19 3.41 -0.77 -4.61 113.62 105.76 3i64 n SER 138 Ca -0.00 -1.36 -0.29 0.00 -0.26 0.00 0.00 58.87 56.96 3i64 n SER 138 Cb 0.37 0.22 -0.13 0.00 -0.26 0.00 0.00 64.21 64.41 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 -2.35 3.47 0.40 4.04 -1.08 -0.63 -4.99 116.67 115.54 3i64 s ASP 139 Ca 0.25 -2.62 0.10 0.00 -0.52 0.00 0.00 52.55 49.76 3i64 s ASP 139 Cb 0.19 -0.92 0.88 0.00 -1.46 0.00 0.00 42.92 41.61 3i64 s ASP 139 CO 0.48 -0.26 1.98 1.55 0.52 0.00 0.00 175.17 179.44 3i64 h PRO 140 N 6.68 0.56 -0.24 4.34 0.13 -1.82 -0.25 132.00 141.40 3i64 h PRO 140 Ca 0.02 -0.03 -0.15 0.00 -0.87 0.00 0.00 66.00 64.97 3i64 h PRO 140 Cb 0.93 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.92 3i64 h PRO 140 CO 0.45 0.37 -0.45 0.28 -0.23 0.00 0.00 178.00 178.42 3i64 h VAL 141 N 0.58 1.30 0.40 1.56 2.07 -1.94 0.14 116.25 120.36 3i64 h VAL 141 Ca 0.28 -1.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.13 3i64 h VAL 141 Cb 0.35 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 3i64 h VAL 141 CO -0.09 0.52 -0.19 0.25 0.02 0.00 0.00 177.57 178.08 3i64 h LEU 142 N 0.49 -0.46 -1.06 2.57 6.46 -1.64 -1.71 115.31 119.96 3i64 h LEU 142 Ca 0.03 -0.07 0.15 0.00 -0.12 0.00 0.00 57.88 57.87 3i64 h LEU 142 Cb 0.98 0.12 -0.09 0.00 -0.73 0.00 0.00 40.66 40.94 3i64 h LEU 142 CO 0.09 -0.20 0.62 -1.28 -0.62 0.00 0.00 178.44 177.05 3i64 h SER 143 N -0.71 0.84 -0.21 1.25 0.87 -0.99 -0.70 113.55 113.90 3i64 h SER 143 Ca -0.06 0.06 0.03 0.00 -1.23 0.00 0.00 61.79 60.59 3i64 h SER 143 Cb 0.50 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.34 3i64 h SER 143 CO 0.09 0.39 0.05 0.00 -0.53 0.00 0.00 176.83 176.83 3i64 h ALA 144 N 1.58 0.22 -0.80 6.23 0.00 -0.30 -1.03 119.26 125.16 3i64 h ALA 144 Ca 0.52 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.46 3i64 h ALA 144 Cb 0.67 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.46 3i64 h ALA 144 CO -0.29 -0.38 0.48 0.66 0.00 0.00 0.00 179.25 179.72 3i64 h SER 145 N 0.14 0.95 -0.57 0.00 4.64 -0.26 -1.58 113.55 116.88 3i64 h SER 145 Ca 0.09 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.34 3i64 h SER 145 Cb 0.08 -0.24 -0.03 0.00 -0.31 0.00 0.00 62.40 61.90 3i64 h SER 145 CO -0.12 0.74 0.27 0.15 -0.87 0.00 0.00 176.83 177.00 3i64 h PHE 146 N 1.10 0.81 -0.65 4.77 3.57 -0.67 -0.72 116.94 125.15 3i64 h PHE 146 Ca 0.29 -0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.82 3i64 h PHE 146 Cb -0.04 -0.25 -0.06 0.00 2.79 0.00 0.00 35.95 38.39 3i64 h PHE 146 CO 0.00 0.63 0.33 -0.44 -2.23 0.00 0.00 178.31 176.60 3i64 h ASP 147 N 0.76 0.44 0.17 0.41 3.32 -0.29 -0.54 116.42 120.69 3i64 h ASP 147 Ca 0.19 0.05 -0.13 0.00 0.02 0.00 0.00 57.03 57.16 3i64 h ASP 147 Cb 0.12 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 3i64 h ASP 147 CO -0.02 0.27 -0.47 0.71 -1.72 0.00 0.00 179.24 178.00 3i64 h THR 148 N 0.58 1.33 -0.11 0.35 1.35 -0.97 -1.94 112.91 113.51 3i64 h THR 148 Ca 0.31 -1.68 -0.02 0.00 -0.55 0.00 0.00 66.41 64.47 3i64 h THR 148 Cb 0.29 1.74 -0.00 0.00 -1.73 0.00 0.00 68.15 68.44 3i64 h THR 148 CO -0.24 0.51 -0.00 -0.07 -0.25 0.00 0.00 175.52 175.47 3i64 h LEU 149 N 0.29 0.19 -1.36 3.87 4.07 -0.28 -1.66 115.31 120.43 3i64 h LEU 149 Ca 0.02 -0.31 -0.05 0.00 0.08 0.00 0.00 57.88 57.61 3i64 h LEU 149 Cb 0.95 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 42.62 3i64 h LEU 149 CO 0.08 0.45 -0.12 0.24 -1.08 0.00 0.00 178.44 178.02 3i64 h MET 150 N -0.09 0.29 -0.84 1.13 2.86 -1.12 -0.86 114.93 116.30 3i64 h MET 150 Ca 0.03 -0.07 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 3i64 h MET 150 Cb 0.36 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 31.94 3i64 h MET 150 CO 0.01 0.41 0.50 1.03 1.06 0.00 0.00 176.91 179.92 3i64 h SER 151 N 0.27 1.02 -0.57 1.22 0.87 -1.05 -1.83 113.55 113.47 3i64 h SER 151 Ca 0.06 -0.07 -0.08 0.00 -1.23 0.00 0.00 61.79 60.47 3i64 h SER 151 Cb 0.38 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 62.06 3i64 h SER 151 CO 0.02 0.79 0.04 -0.74 -0.53 0.00 0.00 176.83 176.41 3i64 h HIS 152 N 1.16 1.09 0.00 2.24 6.17 -0.22 -2.59 115.15 123.00 3i64 h HIS 152 Ca 0.30 -0.16 -0.01 0.00 0.71 0.00 0.00 60.37 61.20 3i64 h HIS 152 Cb -0.03 -0.29 -0.00 0.00 2.52 0.00 0.00 27.41 29.60 3i64 h HIS 152 CO 0.01 0.95 -0.07 1.12 0.71 0.00 0.00 177.93 180.64 3i64 h HIS 153 N 0.94 0.00 -0.10 5.26 2.07 -0.63 -2.62 115.15 120.07 3i64 h HIS 153 Ca 0.18 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.69 3i64 h HIS 153 Cb 0.49 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.47 3i64 h HIS 153 CO 0.03 0.07 0.05 -0.07 -3.07 0.00 0.00 177.93 174.95 3i64 h LEU 154 N 0.00 0.13 -0.23 6.12 3.38 -1.04 0.45 115.31 124.12 3i64 h LEU 154 Ca -0.00 -0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 3i64 h LEU 154 Cb 0.38 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 3i64 h LEU 154 CO 0.01 0.19 0.03 -0.33 0.09 0.00 0.00 178.44 178.42 3i64 h GLU 155 N 0.07 0.38 -0.46 1.13 5.08 -1.57 0.10 114.58 119.32 3i64 h GLU 155 Ca 0.04 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3i64 h GLU 155 Cb 0.09 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3i64 h GLU 155 CO -0.01 0.53 0.25 -0.07 -1.00 0.00 0.00 179.01 178.72 3i64 h LEU 156 N 0.18 0.57 0.01 1.33 3.38 -1.38 -3.33 115.31 116.07 3i64 h LEU 156 Ca 0.07 -0.09 -0.39 0.00 0.09 0.00 0.00 57.88 57.56 3i64 h LEU 156 Cb 0.34 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 3i64 h LEU 156 CO 0.01 0.49 -2.18 0.47 0.09 0.00 0.00 178.44 177.32 3i64 n ASP 157 N -4.69 1.95 -0.55 -0.43 8.00 0.14 -4.62 116.55 116.35 3i64 n ASP 157 Ca 0.01 0.27 0.02 0.00 0.71 0.00 0.00 54.79 55.80 3i64 n ASP 157 Cb 0.08 -0.79 0.07 0.00 -0.02 0.00 0.00 41.12 40.45 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 -4.07 0.29 -1.61 1.24 4.01 0.36 -3.79 117.16 113.58 3i64 n TYR 158 Ca -0.46 -0.11 -0.60 0.00 -0.16 0.00 0.00 57.90 56.57 3i64 n TYR 158 Cb 0.87 -0.11 -0.09 0.00 -0.31 0.00 0.00 39.34 39.70 3i64 n TYR 158 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 3i64 n THR 159 N 0.02 0.15 -0.96 -0.72 -1.04 -1.25 -0.60 114.28 109.89 3i64 n THR 159 Ca 0.05 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 3i64 n THR 159 Cb 0.30 -0.95 0.00 0.00 -1.82 0.00 0.00 70.33 67.86 3i64 n THR 159 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i64 n GLY 160 N 5.02 0.58 0.30 3.41 0.00 -1.26 -4.67 105.19 108.58 3i64 n GLY 160 Ca 0.35 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.48 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 0.00 -0.37 -0.61 2.10 -1.24 -2.23 117.51 115.16 3i64 h ILE 161 Ca 0.00 0.00 0.08 0.00 1.08 0.00 0.00 64.86 66.02 3i64 h ILE 161 Cb 0.11 0.51 -0.08 0.00 -1.09 0.00 0.00 36.82 36.27 3i64 h ILE 161 CO 0.00 0.00 -0.13 0.00 -1.08 0.00 0.00 178.15 176.94 3i64 h ALA 162 N 1.12 0.18 0.00 0.18 0.00 -1.90 -3.05 119.26 115.78 3i64 h ALA 162 Ca 0.00 0.14 -0.27 0.00 0.00 0.00 0.00 54.91 54.78 3i64 h ALA 162 Cb 0.84 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 3i64 h ALA 162 CO 0.00 -0.50 -1.58 0.00 0.00 0.00 0.00 179.25 177.17 3i64 h ALA 163 N 1.26 0.71 0.00 0.00 0.00 -1.83 -3.37 119.26 116.04 3i64 h ALA 163 Ca 0.18 -1.33 0.00 0.00 0.00 0.00 0.00 54.91 53.76 3i64 h ALA 163 Cb 0.34 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3i64 h ALA 163 CO -0.41 1.48 0.31 1.63 0.00 0.00 0.00 179.25 182.26 3i64 n LYS 164 N -3.07 0.06 -3.82 0.00 4.76 -1.15 -4.53 118.16 110.41 3i64 n LYS 164 Ca -0.14 0.47 -0.11 0.00 -2.87 0.00 0.00 58.31 55.66 3i64 n LYS 164 Cb 1.02 -2.00 -0.08 0.00 -1.84 0.00 0.00 35.03 32.12 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 -3.06 -0.01 -1.15 2.13 6.14 -1.25 -5.01 117.35 115.14 3i64 s TYR 165 Ca -0.01 -0.14 -0.18 0.00 0.64 0.00 0.00 57.07 57.38 3i64 s TYR 165 Cb 0.02 0.01 0.10 0.00 0.42 0.00 0.00 41.96 42.52 3i64 s TYR 165 CO 0.07 -0.43 1.49 0.34 0.64 0.00 0.00 175.55 177.66 3i64 s ASP 166 N -1.92 6.78 -0.04 4.32 2.15 -1.26 -4.82 116.67 121.88 3i64 s ASP 166 Ca -0.07 -2.28 -0.13 0.00 0.43 0.00 0.00 52.55 50.50 3i64 s ASP 166 Cb -0.02 -2.50 -0.07 0.00 -0.30 0.00 0.00 42.92 40.03 3i64 s ASP 166 CO -0.02 -1.12 0.53 -0.50 -0.17 0.00 0.00 175.17 173.89 3i64 h TRP 167 N 8.21 -0.42 -1.64 -5.34 4.06 -1.93 -3.29 115.95 115.60 3i64 h TRP 167 Ca 0.31 -0.01 0.51 0.00 2.06 0.00 0.00 58.89 61.75 3i64 h TRP 167 Cb 0.93 0.14 -0.10 0.00 -1.00 0.00 0.00 29.16 29.13 3i64 h TRP 167 CO 1.27 -0.26 1.13 0.00 -3.56 0.00 0.00 178.44 177.01 3i64 n ALA 168 N -2.73 1.59 0.30 1.49 0.00 -1.26 0.16 120.51 120.05 3i64 n ALA 168 Ca -0.06 0.71 0.17 0.00 0.00 0.00 0.00 53.44 54.27 3i64 n ALA 168 Cb 0.18 -1.05 0.91 0.00 0.00 0.00 0.00 19.45 19.49 3i64 n ALA 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i64 h ALA 169 N 1.20 1.15 0.00 0.00 0.00 -1.97 -2.47 119.26 117.17 3i64 h ALA 169 Ca 0.87 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.74 3i64 h ALA 169 Cb 3.21 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.99 3i64 h ALA 169 CO -0.20 0.05 0.00 1.28 0.00 0.00 0.00 179.25 180.38 3i64 n LEU 170 N -3.35 0.80 0.00 0.00 4.32 0.42 -4.93 117.00 114.26 3i64 n LEU 170 Ca -0.02 0.59 0.00 0.00 -0.02 0.00 0.00 56.01 56.56 3i64 n LEU 170 Cb 0.18 -0.36 0.00 0.00 -1.62 0.00 0.00 43.42 41.62 3i64 n LEU 170 CO 0.26 -0.25 0.00 0.61 -1.22 0.00 0.00 177.39 176.79 3i64 n GLY 171 N 1.09 1.17 2.71 -0.72 0.00 -0.93 -3.63 105.19 104.87 3i64 n GLY 171 Ca 0.05 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 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 0.31 -0.04 1.61 5.65 -1.25 -1.16 115.29 120.42 3i64 s HIS 172 Ca 0.00 0.05 0.02 0.00 0.25 0.00 0.00 55.06 55.38 3i64 s HIS 172 Cb 0.00 -0.62 -0.03 0.00 -1.18 0.00 0.00 32.58 30.75 3i64 s HIS 172 CO 0.00 -0.26 -0.06 0.14 -0.65 0.00 0.00 174.74 173.91 3i64 s VAL 173 N 2.09 3.78 -0.27 0.89 -7.23 -0.64 0.71 120.40 119.73 3i64 s VAL 173 Ca 0.05 -0.58 -0.07 0.00 -1.81 0.00 0.00 61.98 59.57 3i64 s VAL 173 Cb -0.12 -2.60 -0.01 0.00 0.56 0.00 0.00 36.38 34.21 3i64 s VAL 173 CO -0.04 0.50 0.07 -0.69 -0.31 0.00 0.00 175.10 174.63 3i64 s VAL 174 N -0.91 4.04 -0.85 1.32 1.01 0.37 -1.22 120.40 124.16 3i64 s VAL 174 Ca 0.15 -0.48 -0.20 0.00 0.00 0.00 0.00 61.98 61.45 3i64 s VAL 174 Cb -0.11 -2.99 0.11 0.00 0.00 0.00 0.00 36.38 33.39 3i64 s VAL 174 CO 0.05 0.21 1.09 -0.62 0.00 0.00 0.00 175.10 175.83 3i64 s ASP 175 N 1.54 6.48 -0.20 3.32 -1.08 -0.40 -0.87 116.67 125.46 3i64 s ASP 175 Ca 0.04 -1.69 -0.29 0.00 -0.52 0.00 0.00 52.55 50.09 3i64 s ASP 175 Cb -0.16 -2.41 -0.04 0.00 -1.46 0.00 0.00 42.92 38.85 3i64 s ASP 175 CO 0.02 -1.20 1.84 -0.69 0.52 0.00 0.00 175.17 175.66 3i64 s VAL 176 N 3.23 3.40 -0.16 1.11 1.01 0.32 -0.54 120.40 128.78 3i64 s VAL 176 Ca 0.30 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.72 3i64 s VAL 176 Cb -0.08 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.86 3i64 s VAL 176 CO -0.04 -0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.47 3i64 n GLY 177 N 5.02 0.32 0.00 4.51 0.00 0.19 -4.39 105.19 110.85 3i64 n GLY 177 Ca 0.22 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.24 -0.19 7.00 -0.02 0.00 0.30 -4.90 105.19 106.14 3i64 n GLY 178 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.13 0.92 0.66 -0.02 0.00 -1.26 -2.28 105.19 102.08 3i64 n GLY 179 Ca 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.36 3i64 n GLY 179 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i64 n SER 180 N -2.23 1.16 -0.30 1.61 3.41 -1.26 -4.38 113.62 111.63 3i64 n SER 180 Ca 0.00 -1.42 -0.04 0.00 -0.26 0.00 0.00 58.87 57.15 3i64 n SER 180 Cb 0.00 -0.36 -0.02 0.00 -0.26 0.00 0.00 64.21 63.58 3i64 n SER 180 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i64 n GLY 181 N 0.30 0.55 0.17 5.00 0.00 -0.96 -3.83 105.19 106.42 3i64 n GLY 181 Ca 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 0.47 0.21 -0.02 0.00 -1.87 -0.23 103.07 101.64 3i64 h GLY 182 Ca -0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.23 3i64 h GLY 182 CO 0.12 -0.06 -0.10 -2.00 0.00 0.00 0.00 176.54 174.50 3i64 h LEU 183 N 0.18 -0.24 -0.98 3.11 5.85 -1.91 -1.61 115.31 119.71 3i64 h LEU 183 Ca 0.20 0.01 0.34 0.00 0.84 0.00 0.00 57.88 59.27 3i64 h LEU 183 Cb 0.26 0.06 -0.17 0.00 0.37 0.00 0.00 40.66 41.18 3i64 h LEU 183 CO -0.28 -0.17 0.39 0.25 -0.34 0.00 0.00 178.44 178.28 3i64 h LEU 184 N -0.29 0.14 0.40 2.25 5.85 -1.89 0.44 115.31 122.21 3i64 h LEU 184 Ca -0.03 0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.93 3i64 h LEU 184 Cb 0.22 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 3i64 h LEU 184 CO 0.05 -0.32 -0.36 -1.28 -0.34 0.00 0.00 178.44 176.19 3i64 h SER 185 N 0.10 -0.96 -0.89 1.25 0.87 -0.85 -0.18 113.55 112.89 3i64 h SER 185 Ca 0.73 0.08 0.11 0.00 -1.23 0.00 0.00 61.79 61.48 3i64 h SER 185 Cb 1.75 0.32 -0.08 0.00 -0.44 0.00 0.00 62.40 63.94 3i64 h SER 185 CO -0.76 -0.51 0.52 0.00 -0.53 0.00 0.00 176.83 175.55 3i64 h ALA 186 N -0.33 1.30 -0.65 6.23 0.00 0.82 0.17 119.26 126.79 3i64 h ALA 186 Ca -0.03 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3i64 h ALA 186 Cb 0.68 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3i64 h ALA 186 CO -0.04 0.12 0.23 -0.07 0.00 0.00 0.00 179.25 179.49 3i64 h LEU 187 N 0.84 0.94 -0.22 0.00 4.07 -0.65 -2.90 115.31 117.38 3i64 h LEU 187 Ca 0.44 -0.19 -0.22 0.00 0.08 0.00 0.00 57.88 57.98 3i64 h LEU 187 Cb 0.43 -0.24 0.00 0.00 1.08 0.00 0.00 40.66 41.93 3i64 h LEU 187 CO -0.27 0.88 -0.88 -0.07 -1.08 0.00 0.00 178.44 177.02 3i64 h LEU 188 N 0.94 0.59 0.00 1.67 3.38 -0.30 -1.37 115.31 120.22 3i64 h LEU 188 Ca 0.21 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3i64 h LEU 188 Cb 0.26 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3i64 h LEU 188 CO -0.01 1.22 0.00 0.41 0.09 0.00 0.00 178.44 180.15 3i64 n THR 189 N -3.80 0.00 0.00 0.22 -1.04 0.53 -2.06 114.28 108.14 3i64 n THR 189 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.95 3i64 n THR 189 Cb 0.80 -0.74 0.00 0.00 -1.82 0.00 0.00 70.33 68.57 3i64 n THR 189 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i64 n ALA 190 N -0.94 1.72 -3.59 2.41 0.00 -1.02 -4.90 120.51 114.18 3i64 n ALA 190 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.24 3i64 n ALA 190 Cb 0.04 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.37 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 -1.39 1.52 0.44 0.00 3.76 -0.55 -5.01 115.29 114.07 3i64 s HIS 191 Ca 0.00 -2.20 0.23 0.00 -0.15 0.00 0.00 55.06 52.94 3i64 s HIS 191 Cb 0.00 -1.46 1.22 0.00 1.11 0.00 0.00 32.58 33.45 3i64 s HIS 191 CO 0.00 -0.79 1.80 0.93 -0.85 0.00 0.00 174.74 175.83 3i64 h GLU 192 N 6.56 0.27 -0.71 1.40 5.08 -1.87 -0.56 114.58 124.75 3i64 h GLU 192 Ca 0.07 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.33 3i64 h GLU 192 Cb 0.93 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.07 3i64 h GLU 192 CO 0.41 0.18 0.10 -0.25 -1.00 0.00 0.00 179.01 178.45 3i64 n ASP 193 N -4.49 4.78 -4.57 1.42 8.00 -1.26 -4.90 116.55 115.53 3i64 n ASP 193 Ca 0.24 -2.89 -0.34 0.00 0.71 0.00 0.00 54.79 52.50 3i64 n ASP 193 Cb 0.93 -0.68 -0.11 0.00 -0.02 0.00 0.00 41.12 41.24 3i64 n ASP 193 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 3i64 s LEU 194 N -2.42 3.35 0.31 0.64 2.96 -0.22 -4.87 118.68 118.42 3i64 s LEU 194 Ca 0.47 -0.02 0.10 0.00 -0.22 0.00 0.00 54.13 54.46 3i64 s LEU 194 Cb 0.36 -1.78 -0.05 0.00 0.50 0.00 0.00 46.19 45.22 3i64 s LEU 194 CO 0.13 0.27 -0.09 -0.94 -1.32 0.00 0.00 176.35 174.40 3i64 s SER 195 N -0.24 3.93 0.13 3.68 1.04 -0.31 -4.87 113.70 117.06 3i64 s SER 195 Ca 0.05 -0.99 -0.25 0.00 0.48 0.00 0.00 55.95 55.23 3i64 s SER 195 Cb -0.13 -0.46 0.07 0.00 0.10 0.00 0.00 66.02 65.60 3i64 s SER 195 CO 0.02 -0.09 0.82 -0.83 0.98 0.00 0.00 173.24 174.14 3i64 s GLY 196 N -3.61 -0.36 -0.04 7.32 0.00 0.76 -1.61 107.32 109.78 3i64 s GLY 196 Ca 0.32 0.38 0.01 0.00 0.00 0.00 0.00 44.72 45.42 3i64 s GLY 196 CO 0.17 0.12 -0.02 -1.08 0.00 0.00 0.00 173.10 172.29 3i64 s THR 197 N -3.46 0.34 -0.11 0.90 -1.32 -0.36 -1.73 115.64 109.91 3i64 s THR 197 Ca 0.07 0.00 -0.20 0.00 -1.21 0.00 0.00 61.69 60.36 3i64 s THR 197 Cb -0.02 -0.42 -0.04 0.00 -1.51 0.00 0.00 72.50 70.52 3i64 s THR 197 CO -0.03 0.19 0.57 -0.69 -2.21 0.00 0.00 174.62 172.44 3i64 s VAL 198 N 1.06 5.12 -0.16 5.08 1.01 0.60 -1.27 120.40 131.85 3i64 s VAL 198 Ca -0.09 1.14 -0.02 0.00 0.00 0.00 0.00 61.98 63.01 3i64 s VAL 198 Cb -0.14 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.32 3i64 s VAL 198 CO -0.01 0.28 -0.09 -0.22 0.00 0.00 0.00 175.10 175.06 3i64 s LEU 199 N 0.83 2.87 0.00 3.92 1.98 -0.87 -0.94 118.68 126.47 3i64 s LEU 199 Ca 0.30 -0.31 -0.01 0.00 -2.89 0.00 0.00 54.13 51.22 3i64 s LEU 199 Cb -0.16 -1.68 0.00 0.00 0.66 0.00 0.00 46.19 45.01 3i64 s LEU 199 CO 0.13 0.11 0.07 -0.67 -1.89 0.00 0.00 176.35 174.10 3i64 n ASP 200 N 3.88 -0.12 -4.91 3.68 -0.08 -1.14 0.54 116.55 118.40 3i64 n ASP 200 Ca -0.18 -1.06 -0.28 0.00 -1.51 0.00 0.00 54.79 51.76 3i64 n ASP 200 Cb 0.52 0.19 0.03 0.00 2.34 0.00 0.00 41.12 44.21 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 3.17 0.12 -2.67 1.43 -1.26 -0.79 118.68 118.69 3i64 s LEU 201 Ca 0.01 0.83 -0.24 0.00 -1.03 0.00 0.00 54.13 53.71 3i64 s LEU 201 Cb -0.00 -3.66 -0.05 0.00 0.03 0.00 0.00 46.19 42.50 3i64 s LEU 201 CO 0.00 -1.10 1.42 1.56 0.23 0.00 0.00 176.35 178.46 3i64 h GLN 202 N -0.27 -0.00 -0.53 1.70 4.20 -1.94 0.27 115.11 118.53 3i64 h GLN 202 Ca -0.45 0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.30 3i64 h GLN 202 Cb 1.25 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.97 3i64 h GLN 202 CO 0.61 -0.00 -0.31 0.41 -0.67 0.00 0.00 178.83 178.87 3i64 n GLY 203 N -1.19 -2.81 0.24 3.46 0.00 -1.26 -1.21 105.19 102.42 3i64 n GLY 203 Ca 0.02 0.90 -0.11 0.00 0.00 0.00 0.00 46.02 46.83 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 0.82 -0.63 1.61 0.11 -1.79 -3.08 132.00 129.04 3i64 h PRO 204 Ca 0.08 -0.29 0.10 0.00 0.11 0.00 0.00 66.00 66.00 3i64 h PRO 204 Cb 0.22 -0.06 -0.07 0.00 0.11 0.00 0.00 31.00 31.20 3i64 h PRO 204 CO -0.50 0.91 0.26 0.00 -0.21 0.00 0.00 178.00 178.46 3i64 h ALA 205 N 0.88 0.83 0.00 -0.75 0.00 -0.37 0.16 119.26 120.02 3i64 h ALA 205 Ca 0.12 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3i64 h ALA 205 Cb 0.58 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3i64 h ALA 205 CO 0.03 -0.16 -0.25 0.66 0.00 0.00 0.00 179.25 179.53 3i64 h SER 206 N 0.45 0.00 0.66 0.00 4.64 -1.18 0.13 113.55 118.25 3i64 h SER 206 Ca 0.32 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.43 3i64 h SER 206 Cb 0.39 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 3i64 h SER 206 CO -0.30 0.25 -0.97 0.00 -0.87 0.00 0.00 176.83 174.94 3i64 h ALA 207 N 1.75 0.41 -0.27 5.18 0.00 -1.07 -1.22 119.26 124.04 3i64 h ALA 207 Ca -0.00 -0.79 -0.09 0.00 0.00 0.00 0.00 54.91 54.03 3i64 h ALA 207 Cb 0.70 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3i64 h ALA 207 CO 0.03 0.98 -0.18 0.00 0.00 0.00 0.00 179.25 180.08 3i64 h ALA 208 N 0.90 0.38 -0.44 0.00 0.00 -0.12 -2.15 119.26 117.84 3i64 h ALA 208 Ca -0.06 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 3i64 h ALA 208 Cb 1.64 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 3i64 h ALA 208 CO 0.15 0.30 0.20 1.25 0.00 0.00 0.00 179.25 181.15 3i64 h HIS 209 N 0.32 0.64 -0.78 0.00 6.17 -0.73 -1.19 115.15 119.59 3i64 h HIS 209 Ca 0.05 -0.03 0.06 0.00 0.71 0.00 0.00 60.37 61.16 3i64 h HIS 209 Cb 0.72 -0.20 -0.05 0.00 2.52 0.00 0.00 27.41 30.40 3i64 h HIS 209 CO 0.07 0.53 0.51 -0.09 0.71 0.00 0.00 177.93 179.65 3i64 h ARG 210 N 0.56 0.81 0.42 5.26 2.43 -1.15 -1.86 114.38 120.85 3i64 h ARG 210 Ca 0.15 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.25 3i64 h ARG 210 Cb 0.13 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 3i64 h ARG 210 CO -0.02 0.53 -0.20 -0.09 -1.51 0.00 0.00 179.97 178.69 3i64 h ARG 211 N 0.83 -0.54 -0.33 0.20 2.43 -0.68 -2.59 114.38 113.71 3i64 h ARG 211 Ca 0.33 0.04 0.09 0.00 -0.81 0.00 0.00 59.98 59.63 3i64 h ARG 211 Cb 0.24 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 3i64 h ARG 211 CO -0.11 -0.24 0.27 0.74 -1.51 0.00 0.00 179.97 179.11 3i64 h PHE 212 N -0.82 0.00 -0.05 2.20 0.04 -0.87 -1.06 116.94 116.38 3i64 h PHE 212 Ca -0.06 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.48 3i64 h PHE 212 Cb 0.54 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.70 3i64 h PHE 212 CO 0.01 0.00 -0.90 -0.07 -0.60 0.00 0.00 178.31 176.75 3i64 h LEU 213 N 0.00 0.70 -0.00 1.54 4.07 -1.20 -0.88 115.31 119.54 3i64 h LEU 213 Ca 0.15 -0.52 0.00 0.00 0.08 0.00 0.00 57.88 57.59 3i64 h LEU 213 Cb 0.68 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.21 3i64 h LEU 213 CO -0.00 1.31 -0.04 0.47 -1.08 0.00 0.00 178.44 179.10 3i64 n ASP 214 N -3.83 0.04 -0.09 -0.43 9.92 -0.49 -3.51 116.55 118.17 3i64 n ASP 214 Ca -0.07 0.37 0.09 0.00 -0.53 0.00 0.00 54.79 54.64 3i64 n ASP 214 Cb 0.81 -0.42 0.13 0.00 -0.64 0.00 0.00 41.12 40.99 3i64 n ASP 214 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 3i64 n THR 215 N -1.47 1.79 -2.46 -3.53 -2.24 -0.70 -4.99 114.28 100.69 3i64 n THR 215 Ca 0.08 -2.10 -0.14 0.00 -2.27 0.00 0.00 64.05 59.62 3i64 n THR 215 Cb 0.33 -0.15 -0.01 0.00 -2.10 0.00 0.00 70.33 68.40 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 -1.29 -0.50 0.89 3.38 0.00 -1.07 -4.83 105.19 101.77 3i64 n GLY 216 Ca 0.14 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.88 2.87 0.32 0.99 4.77 -0.37 -4.42 117.00 118.27 3i64 n LEU 217 Ca -0.16 -1.09 0.20 0.00 -0.03 0.00 0.00 56.01 54.92 3i64 n LEU 217 Cb 0.62 -0.04 1.04 0.00 -2.33 0.00 0.00 43.42 42.71 3i64 n LEU 217 CO 0.20 0.52 1.16 0.77 -1.33 0.00 0.00 177.39 178.71 3i64 h SER 218 N 4.16 0.00 -0.30 -1.43 4.64 -1.66 0.59 113.55 119.56 3i64 h SER 218 Ca 0.00 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.16 3i64 h SER 218 Cb 0.89 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.98 3i64 h SER 218 CO 0.00 0.00 -0.44 1.23 -0.87 0.00 0.00 176.83 176.75 3i64 h GLY 219 N 0.00 0.90 -0.22 -0.77 0.00 -1.89 -3.32 103.07 97.77 3i64 h GLY 219 Ca 0.01 -1.00 0.00 0.00 0.00 0.00 0.00 47.33 46.35 3i64 h GLY 219 CO -0.00 0.90 -0.54 0.54 0.00 0.00 0.00 176.54 177.44 3i64 n ARG 220 N -4.11 2.23 -5.13 4.80 1.74 -0.72 -4.97 116.66 110.51 3i64 n ARG 220 Ca -0.04 -0.25 -0.32 0.00 -0.77 0.00 0.00 57.85 56.48 3i64 n ARG 220 Cb 0.57 -1.18 -0.16 0.00 -1.02 0.00 0.00 32.46 30.67 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 -2.13 2.32 0.04 7.54 0.00 0.20 -0.17 121.76 129.56 3i64 s ALA 221 Ca 0.07 -1.01 -0.01 0.00 0.00 0.00 0.00 51.96 51.01 3i64 s ALA 221 Cb 0.11 -0.81 -0.03 0.00 0.00 0.00 0.00 23.12 22.39 3i64 s ALA 221 CO 0.50 0.41 -0.01 1.14 0.00 0.00 0.00 175.76 177.80 3i64 s GLN 222 N -0.16 0.55 0.23 0.00 -2.07 -0.71 -4.35 119.66 113.15 3i64 s GLN 222 Ca -0.03 -1.03 0.10 0.00 -1.82 0.00 0.00 55.36 52.58 3i64 s GLN 222 Cb -0.14 0.19 -0.05 0.00 -1.09 0.00 0.00 33.01 31.93 3i64 s GLN 222 CO 0.04 -0.10 -0.13 0.14 -1.32 0.00 0.00 175.29 173.91 3i64 s VAL 223 N -3.25 2.87 -0.10 3.63 -7.23 -1.26 -0.29 120.40 114.77 3i64 s VAL 223 Ca 0.01 -2.01 -0.04 0.00 -1.81 0.00 0.00 61.98 58.12 3i64 s VAL 223 Cb 0.03 -2.47 0.05 0.00 0.56 0.00 0.00 36.38 34.56 3i64 s VAL 223 CO -0.08 -0.26 0.20 -0.69 -0.31 0.00 0.00 175.10 173.97 3i64 s VAL 224 N -2.08 -0.30 -0.07 1.32 1.01 -0.12 -4.89 120.40 115.28 3i64 s VAL 224 Ca 0.27 0.31 -0.29 0.00 0.00 0.00 0.00 61.98 62.27 3i64 s VAL 224 Cb -0.07 -0.35 -0.02 0.00 0.00 0.00 0.00 36.38 35.94 3i64 s VAL 224 CO 0.15 0.13 0.96 -0.69 0.00 0.00 0.00 175.10 175.65 3i64 s VAL 225 N 2.23 4.85 0.00 2.92 1.01 -1.26 -2.90 120.40 127.24 3i64 s VAL 225 Ca 0.01 1.97 0.00 0.00 0.00 0.00 0.00 61.98 63.96 3i64 s VAL 225 Cb -0.12 -4.28 0.00 0.00 0.00 0.00 0.00 36.38 31.98 3i64 s VAL 225 CO -0.07 0.09 0.00 0.61 0.00 0.00 0.00 175.10 175.73 3i64 n GLY 226 N 3.05 1.49 3.72 4.51 0.00 0.03 -4.95 105.19 113.04 3i64 n GLY 226 Ca 0.06 -0.66 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 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 7.31 0.00 1.61 0.15 -1.26 -4.10 113.70 117.40 3i64 s SER 227 Ca 0.00 1.57 0.00 0.00 0.70 0.00 0.00 55.95 58.22 3i64 s SER 227 Cb 0.00 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 3i64 s SER 227 CO 0.00 -0.12 0.52 2.22 1.20 0.00 0.00 173.24 177.07 3i64 n PHE 228 N 3.30 0.00 0.94 3.44 1.16 -1.26 -1.75 117.46 123.29 3i64 n PHE 228 Ca 0.02 0.00 0.10 0.00 -1.87 0.00 0.00 57.45 55.70 3i64 n PHE 228 Cb 0.50 -0.04 -0.02 0.00 -1.61 0.00 0.00 39.48 38.31 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 -0.15 0.00 -4.36 2.97 3.72 -1.26 -4.51 117.46 113.87 3i64 n PHE 229 Ca 0.00 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.15 3i64 n PHE 229 Cb 0.10 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.55 3i64 n PHE 229 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3i64 s ASP 230 N -2.43 4.13 0.36 4.37 1.01 -0.71 -5.00 116.67 118.40 3i64 s ASP 230 Ca 0.16 -1.07 -0.24 0.00 0.71 0.00 0.00 52.55 52.11 3i64 s ASP 230 Cb 0.17 -0.49 -0.14 0.00 1.01 0.00 0.00 42.92 43.46 3i64 s ASP 230 CO 0.58 -0.30 0.50 -2.65 0.21 0.00 0.00 175.17 173.50 3i64 n PRO 231 N -0.98 0.43 -3.72 8.23 -0.02 -1.26 -4.92 135.00 132.76 3i64 n PRO 231 Ca -0.04 0.15 -0.21 0.00 -2.02 0.00 0.00 63.50 61.39 3i64 n PRO 231 Cb 0.63 -1.34 -0.03 0.00 -0.02 0.00 0.00 33.50 32.74 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 2.40 3.61 -0.31 2.45 1.02 -1.26 -4.98 118.68 121.61 3i64 s LEU 232 Ca 0.62 -0.50 -0.29 0.00 0.02 0.00 0.00 54.13 53.98 3i64 s LEU 232 Cb -0.69 -2.25 -0.07 0.00 0.02 0.00 0.00 46.19 43.20 3i64 s LEU 232 CO 0.59 -0.41 2.27 -2.65 0.02 0.00 0.00 176.35 176.16 3i64 n PRO 233 N -1.44 1.59 -1.52 1.29 -0.02 -1.26 -4.89 135.00 128.75 3i64 n PRO 233 Ca -0.01 0.38 -0.31 0.00 -2.02 0.00 0.00 63.50 61.54 3i64 n PRO 233 Cb 0.60 -3.10 0.07 0.00 -0.02 0.00 0.00 33.50 31.04 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 8.90 2.51 -0.39 3.55 0.00 -1.26 -4.36 121.76 130.71 3i64 s ALA 234 Ca 1.03 0.04 0.00 0.00 0.00 0.00 0.00 51.96 53.02 3i64 s ALA 234 Cb -0.42 -3.17 0.00 0.00 0.00 0.00 0.00 23.12 19.53 3i64 s ALA 234 CO 0.36 -1.42 0.00 0.41 0.00 0.00 0.00 175.76 175.12 3i64 n GLY 235 N -1.91 0.63 3.75 0.00 0.00 -0.83 -5.04 105.19 101.79 3i64 n GLY 235 Ca 0.08 -0.34 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.95 1.86 0.06 4.61 0.00 -1.26 -4.96 121.76 120.12 3i64 s ALA 236 Ca 0.00 -0.04 -0.19 0.00 0.00 0.00 0.00 51.96 51.73 3i64 s ALA 236 Cb 0.00 -3.19 -0.12 0.00 0.00 0.00 0.00 23.12 19.81 3i64 s ALA 236 CO 0.00 -2.08 1.39 0.78 0.00 0.00 0.00 175.76 175.86 3i64 h GLY 237 N -1.35 0.44 -4.83 0.00 0.00 0.22 -3.43 103.07 94.14 3i64 h GLY 237 Ca -0.48 -0.42 -0.16 0.00 0.00 0.00 0.00 47.33 46.28 3i64 h GLY 237 CO 0.55 0.38 -0.59 -0.32 0.00 0.00 0.00 176.54 176.56 3i64 s GLY 238 N -3.38 0.14 -0.18 4.60 0.00 -1.00 -2.41 107.32 105.10 3i64 s GLY 238 Ca -0.14 -0.37 0.01 0.00 0.00 0.00 0.00 44.72 44.22 3i64 s GLY 238 CO 0.76 -0.47 -0.18 -0.19 0.00 0.00 0.00 173.10 173.01 3i64 s TYR 239 N -1.48 2.78 -0.15 1.90 1.51 -0.37 -0.48 117.35 121.06 3i64 s TYR 239 Ca -0.15 -1.45 -0.07 0.00 -1.01 0.00 0.00 57.07 54.38 3i64 s TYR 239 Cb -0.08 -1.92 -0.04 0.00 -0.11 0.00 0.00 41.96 39.80 3i64 s TYR 239 CO 0.00 -0.71 0.11 0.08 -1.11 0.00 0.00 175.55 173.92 3i64 s VAL 240 N 1.18 5.21 -0.58 0.71 1.01 -0.05 0.04 120.40 127.92 3i64 s VAL 240 Ca 0.02 0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.15 3i64 s VAL 240 Cb -0.14 -3.31 0.15 0.00 0.00 0.00 0.00 36.38 33.08 3i64 s VAL 240 CO -0.09 0.53 0.35 -0.76 0.00 0.00 0.00 175.10 175.13 3i64 s LEU 241 N -0.31 4.32 -0.39 3.92 1.43 -0.04 -0.52 118.68 127.08 3i64 s LEU 241 Ca 0.10 -3.31 -0.17 0.00 -1.03 0.00 0.00 54.13 49.72 3i64 s LEU 241 Cb -0.12 -1.57 0.01 0.00 0.03 0.00 0.00 46.19 44.55 3i64 s LEU 241 CO 0.01 -0.18 0.46 -0.55 0.23 0.00 0.00 176.35 176.33 3i64 s SER 242 N -0.68 6.23 -1.44 2.29 0.15 -1.26 -1.13 113.70 117.86 3i64 s SER 242 Ca 0.20 -0.42 -0.11 0.00 0.70 0.00 0.00 55.95 56.32 3i64 s SER 242 Cb -0.17 -2.24 0.05 0.00 -1.71 0.00 0.00 66.02 61.95 3i64 s SER 242 CO -0.07 -0.54 1.10 0.00 1.20 0.00 0.00 173.24 174.93 3i64 n ALA 243 N 5.68 -1.29 -0.02 5.45 0.00 -0.73 -4.89 120.51 124.71 3i64 n ALA 243 Ca -0.06 0.31 -0.06 0.00 0.00 0.00 0.00 53.44 53.63 3i64 n ALA 243 Cb 0.48 -5.06 -0.02 0.00 0.00 0.00 0.00 19.45 14.85 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 -4.87 1.13 -0.32 0.00 0.31 -1.26 -4.73 118.33 108.60 3i64 n VAL 244 Ca 0.03 0.18 0.23 0.00 -0.01 0.00 0.00 64.34 64.76 3i64 n VAL 244 Cb 0.54 -1.82 0.51 0.00 -0.91 0.00 0.00 33.84 32.17 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 -0.38 0.44 0.00 7.52 3.38 -1.90 0.23 115.31 124.60 3i64 h LEU 245 Ca -0.08 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i64 h LEU 245 Cb 0.62 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.38 3i64 h LEU 245 CO -0.05 0.09 0.00 0.00 0.09 0.00 0.00 178.44 178.58 3i64 n HIS 246 N -4.61 0.00 1.26 1.13 1.44 -1.26 -2.05 115.22 111.13 3i64 n HIS 246 Ca 0.25 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 56.09 3i64 n HIS 246 Cb 0.87 -0.18 0.42 0.00 0.12 0.00 0.00 29.99 31.21 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 -1.18 0.89 -4.30 4.39 8.00 0.80 -2.30 116.55 122.85 3i64 n ASP 247 Ca 0.16 -0.79 -0.21 0.00 0.71 0.00 0.00 54.79 54.66 3i64 n ASP 247 Cb 0.18 0.09 -0.11 0.00 -0.02 0.00 0.00 41.12 41.26 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 -2.52 1.69 1.04 1.24 0.52 -0.87 -4.45 118.94 115.59 3i64 s TRP 248 Ca 0.25 -0.49 -0.16 0.00 0.02 0.00 0.00 56.10 55.72 3i64 s TRP 248 Cb 0.19 -0.87 0.21 0.00 -1.15 0.00 0.00 33.47 31.86 3i64 s TRP 248 CO 0.52 0.26 1.17 0.16 0.02 0.00 0.00 176.95 179.08 3i64 s ASP 249 N -2.50 2.37 0.13 2.95 1.47 -1.24 -3.83 116.67 116.02 3i64 s ASP 249 Ca 0.12 0.68 -0.19 0.00 1.18 0.00 0.00 52.55 54.35 3i64 s ASP 249 Cb -0.06 -1.01 -0.04 0.00 -0.34 0.00 0.00 42.92 41.47 3i64 s ASP 249 CO 0.05 -3.23 1.76 0.44 0.68 0.00 0.00 175.17 174.87 3i64 h ASP 250 N -1.97 0.12 -0.08 2.11 3.32 -1.94 -1.11 116.42 116.88 3i64 h ASP 250 Ca -0.47 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3i64 h ASP 250 Cb 1.29 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.84 3i64 h ASP 250 CO 0.45 0.10 0.05 -0.07 -1.72 0.00 0.00 179.24 178.05 3i64 h LEU 251 N 0.20 0.09 -1.21 1.55 3.38 -2.00 -1.27 115.31 116.05 3i64 h LEU 251 Ca 0.09 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 3i64 h LEU 251 Cb 0.04 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3i64 h LEU 251 CO -0.08 0.06 0.38 0.28 0.09 0.00 0.00 178.44 179.17 3i64 h SER 252 N 0.10 0.82 -0.40 -0.43 0.02 -1.92 -2.18 113.55 109.57 3i64 h SER 252 Ca 0.03 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 60.89 3i64 h SER 252 Cb -0.01 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.30 3i64 h SER 252 CO -0.01 0.65 0.12 0.00 -1.14 0.00 0.00 176.83 176.46 3i64 h ALA 253 N 1.48 0.52 -0.09 3.77 0.00 -0.74 -0.86 119.26 123.35 3i64 h ALA 253 Ca 0.24 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3i64 h ALA 253 Cb 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 3i64 h ALA 253 CO -0.04 0.18 -0.27 -0.39 0.00 0.00 0.00 179.25 178.73 3i64 h VAL 254 N 0.50 1.23 0.75 0.00 -1.51 -0.94 0.08 116.25 116.36 3i64 h VAL 254 Ca 0.13 -1.09 -0.04 0.00 -1.23 0.00 0.00 66.70 64.47 3i64 h VAL 254 Cb 0.27 1.47 0.00 0.00 -2.13 0.00 0.00 31.29 30.91 3i64 h VAL 254 CO -0.00 0.33 -0.40 0.00 -1.23 0.00 0.00 177.57 176.26 3i64 h ALA 255 N 1.58 -1.26 -0.97 5.19 0.00 -0.90 0.52 119.26 123.42 3i64 h ALA 255 Ca 0.02 -0.23 0.18 0.00 0.00 0.00 0.00 54.91 54.88 3i64 h ALA 255 Cb 0.56 0.47 -0.09 0.00 0.00 0.00 0.00 17.79 18.73 3i64 h ALA 255 CO 0.04 -1.20 0.61 0.82 0.00 0.00 0.00 179.25 179.52 3i64 h ILE 256 N -1.06 0.74 -0.19 0.00 2.04 -0.96 -1.38 117.51 116.70 3i64 h ILE 256 Ca -0.10 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.47 3i64 h ILE 256 Cb 0.83 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.88 3i64 h ILE 256 CO 0.14 0.13 -0.05 -0.07 0.00 0.00 0.00 178.15 178.31 3i64 h LEU 257 N 0.71 0.37 -0.95 1.44 3.38 -0.52 -2.72 115.31 117.02 3i64 h LEU 257 Ca 0.53 -0.37 0.10 0.00 0.09 0.00 0.00 57.88 58.23 3i64 h LEU 257 Cb 0.89 -0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.46 3i64 h LEU 257 CO -0.30 0.65 0.58 0.03 0.09 0.00 0.00 178.44 179.50 3i64 h ARG 258 N 0.08 0.94 -0.88 1.13 3.08 0.11 0.77 114.38 119.62 3i64 h ARG 258 Ca 0.05 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.05 3i64 h ARG 258 Cb 0.49 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 30.28 3i64 h ARG 258 CO 0.02 0.62 0.58 0.00 -1.07 0.00 0.00 179.97 180.12 3i64 h ARG 259 N 0.96 1.14 -0.22 0.04 2.47 -1.26 0.13 114.38 117.64 3i64 h ARG 259 Ca 0.45 -0.07 -0.06 0.00 -1.26 0.00 0.00 59.98 59.04 3i64 h ARG 259 Cb 0.39 -0.26 -0.01 0.00 -1.65 0.00 0.00 29.97 28.44 3i64 h ARG 259 CO -0.24 0.76 -0.11 0.00 0.56 0.00 0.00 179.97 180.94 3i64 h ALA 261 N 0.71 -0.55 0.03 0.00 0.00 -0.38 0.21 119.26 119.28 3i64 h ALA 261 Ca 0.05 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3i64 h ALA 261 Cb 0.61 0.61 -0.05 0.00 0.00 0.00 0.00 17.79 18.96 3i64 h ALA 261 CO 0.03 -0.88 -0.50 0.93 0.00 0.00 0.00 179.25 178.83 3i64 h GLU 262 N -0.53 -0.62 -0.50 0.00 5.08 -0.71 0.48 114.58 117.79 3i64 h GLU 262 Ca 0.05 0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.55 3i64 h GLU 262 Cb 0.60 0.14 -0.09 0.00 0.50 0.00 0.00 28.75 29.90 3i64 h GLU 262 CO -0.26 -0.41 -0.08 0.00 -1.00 0.00 0.00 179.01 177.26 3i64 h ALA 263 N -0.54 0.38 0.20 3.43 0.00 -0.82 -2.90 119.26 119.01 3i64 h ALA 263 Ca 0.01 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3i64 h ALA 263 Cb 0.68 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3i64 h ALA 263 CO -0.32 -0.42 -0.09 0.00 0.00 0.00 0.00 179.25 178.41 3i64 h ALA 264 N 1.48 -0.26 0.00 0.00 0.00 -0.10 -2.21 119.26 118.16 3i64 h ALA 264 Ca 0.24 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.00 3i64 h ALA 264 Cb 0.37 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3i64 h ALA 264 CO -0.48 -0.52 0.00 0.41 0.00 0.00 0.00 179.25 178.66 3i64 n GLY 265 N -0.50 -1.86 0.00 0.00 0.00 0.17 -2.52 105.19 100.48 3i64 n GLY 265 Ca -0.09 -1.40 0.08 0.00 0.00 0.00 0.00 46.02 44.61 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 0.57 0.00 -0.37 1.61 3.41 -1.26 -2.97 113.62 114.62 3i64 n SER 266 Ca 0.00 0.42 0.07 0.00 -0.26 0.00 0.00 58.87 59.09 3i64 n SER 266 Cb 0.00 -0.46 0.01 0.00 -0.26 0.00 0.00 64.21 63.50 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 0.26 -0.08 1.76 5.00 0.00 -1.25 -4.90 105.19 105.98 3i64 n GLY 267 Ca 0.05 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.59 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 0.97 2.04 2.90 -0.02 0.00 -1.05 -4.96 105.19 105.08 3i64 n GLY 268 Ca 0.06 -2.18 -0.15 0.00 0.00 0.00 0.00 46.02 43.75 3i64 n GLY 268 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i64 s VAL 269 N -0.68 -0.31 -0.27 1.61 0.11 -1.01 -4.67 120.40 115.17 3i64 s VAL 269 Ca 0.26 0.32 -0.17 0.00 -2.93 0.00 0.00 61.98 59.47 3i64 s VAL 269 Cb -0.02 -0.35 -0.03 0.00 -1.53 0.00 0.00 36.38 34.45 3i64 s VAL 269 CO 0.17 0.14 0.45 -0.69 -3.33 0.00 0.00 175.10 171.83 3i64 s VAL 270 N 2.31 5.11 -0.39 2.04 1.01 0.51 -1.24 120.40 129.75 3i64 s VAL 270 Ca 0.02 0.69 -0.06 0.00 0.00 0.00 0.00 61.98 62.63 3i64 s VAL 270 Cb -0.12 -3.78 0.08 0.00 0.00 0.00 0.00 36.38 32.56 3i64 s VAL 270 CO -0.07 0.09 0.19 -0.76 0.00 0.00 0.00 175.10 174.56 3i64 s LEU 271 N 2.21 4.95 -0.26 3.92 1.43 0.11 -0.33 118.68 130.70 3i64 s LEU 271 Ca 0.18 -1.62 -0.26 0.00 -1.03 0.00 0.00 54.13 51.40 3i64 s LEU 271 Cb -0.16 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.18 3i64 s LEU 271 CO 0.10 -0.49 0.89 -0.69 0.23 0.00 0.00 176.35 176.39 3i64 s VAL 272 N 1.30 4.76 -0.46 -1.59 1.01 -0.43 -0.86 120.40 124.14 3i64 s VAL 272 Ca 0.03 1.59 0.04 0.00 0.00 0.00 0.00 61.98 63.64 3i64 s VAL 272 Cb -0.22 -4.19 0.12 0.00 0.00 0.00 0.00 36.38 32.09 3i64 s VAL 272 CO -0.00 -0.18 0.19 -0.63 0.00 0.00 0.00 175.10 174.48 3i64 s ILE 273 N 3.02 2.55 0.07 2.22 1.01 -0.28 -0.66 121.20 129.13 3i64 s ILE 273 Ca 0.37 -2.95 -0.21 0.00 0.00 0.00 0.00 60.65 57.86 3i64 s ILE 273 Cb -0.15 -2.80 0.05 0.00 0.01 0.00 0.00 42.46 39.57 3i64 s ILE 273 CO 0.09 -0.73 0.50 -1.83 0.00 0.00 0.00 174.94 172.97 3i64 s GLU 274 N 0.15 1.06 -0.45 2.79 -1.05 -0.87 -1.77 118.70 118.56 3i64 s GLU 274 Ca 0.15 -0.35 -0.27 0.00 -0.15 0.00 0.00 54.97 54.35 3i64 s GLU 274 Cb -0.23 0.48 -0.05 0.00 -0.44 0.00 0.00 34.13 33.89 3i64 s GLU 274 CO -0.03 -0.39 2.18 0.00 0.95 0.00 0.00 175.26 177.96 3i64 s ALA 275 N -2.80 2.08 0.57 -0.84 0.00 -1.26 -3.03 121.76 116.47 3i64 s ALA 275 Ca -0.03 0.02 -0.20 0.00 0.00 0.00 0.00 51.96 51.75 3i64 s ALA 275 Cb -0.00 -4.25 -0.04 0.00 0.00 0.00 0.00 23.12 18.82 3i64 s ALA 275 CO -0.05 -3.84 1.22 0.14 0.00 0.00 0.00 175.76 173.23 3i64 s VAL 276 N 10.22 2.64 0.57 0.00 -7.23 -1.26 -4.75 120.40 120.59 3i64 s VAL 276 Ca 0.89 0.42 0.41 0.00 -1.81 0.00 0.00 61.98 61.89 3i64 s VAL 276 Cb -0.19 -3.18 0.61 0.00 0.56 0.00 0.00 36.38 34.18 3i64 s VAL 276 CO 0.27 -0.07 1.58 0.00 -0.31 0.00 0.00 175.10 176.57 3i64 h ALA 277 N 1.10 3.43 -0.44 1.32 0.00 0.16 -3.00 119.26 121.84 3i64 h ALA 277 Ca -0.50 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 54.39 3i64 h ALA 277 Cb 1.29 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.14 3i64 h ALA 277 CO 0.56 -2.00 -0.26 0.41 0.00 0.00 0.00 179.25 177.96 3i64 n GLY 278 N -1.82 -2.71 3.74 0.00 0.00 -1.26 -4.82 105.19 98.32 3i64 n GLY 278 Ca 0.34 0.82 -0.08 0.00 0.00 0.00 0.00 46.02 47.10 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 -4.16 -0.24 1.61 1.61 1.01 -1.13 -5.07 116.67 110.30 3i64 s ASP 279 Ca -0.05 -0.64 0.00 0.00 0.71 0.00 0.00 52.55 52.57 3i64 s ASP 279 Cb 0.05 0.68 0.00 0.00 1.01 0.00 0.00 42.92 44.65 3i64 s ASP 279 CO 0.27 -1.25 0.00 -0.62 0.21 0.00 0.00 175.17 173.78 3i64 n GLU 280 N -0.43 0.00 -0.25 8.23 -0.58 -1.26 -3.61 120.64 122.74 3i64 n GLU 280 Ca -0.05 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.68 3i64 n GLU 280 Cb 0.60 0.00 0.18 0.00 -0.57 0.00 0.00 31.44 31.65 3i64 n GLU 280 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3i64 h HIS 281 N 0.00 1.04 -3.15 -0.32 3.86 -1.96 -3.42 115.15 111.20 3i64 h HIS 281 Ca 0.00 -0.01 -0.53 0.00 -1.16 0.00 0.00 60.37 58.66 3i64 h HIS 281 Cb 0.00 -0.34 0.08 0.00 1.06 0.00 0.00 27.41 28.21 3i64 h HIS 281 CO 0.00 0.71 0.90 0.00 0.86 0.00 0.00 177.93 180.40 3i64 n ALA 282 N -2.42 2.57 -3.12 2.45 0.00 -1.24 -4.91 120.51 113.83 3i64 n ALA 282 Ca 0.08 0.38 -0.11 0.00 0.00 0.00 0.00 53.44 53.78 3i64 n ALA 282 Cb 0.09 -2.47 -0.04 0.00 0.00 0.00 0.00 19.45 17.03 3i64 n ALA 282 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3i64 s GLY 283 N 0.61 0.92 0.40 0.00 0.00 -1.26 -4.70 107.32 103.29 3i64 s GLY 283 Ca 0.66 -1.14 0.11 0.00 0.00 0.00 0.00 44.72 44.35 3i64 s GLY 283 CO 0.46 -0.75 1.91 -0.91 0.00 0.00 0.00 173.10 173.81 3i64 h THR 284 N 2.17 1.18 -0.16 0.90 1.35 -1.96 -0.67 112.91 115.73 3i64 h THR 284 Ca -0.28 -0.83 -0.10 0.00 -0.55 0.00 0.00 66.41 64.65 3i64 h THR 284 Cb 1.25 1.32 -0.01 0.00 -1.73 0.00 0.00 68.15 68.97 3i64 h THR 284 CO 0.38 0.25 -0.35 1.23 -0.25 0.00 0.00 175.52 176.78 3i64 h GLY 285 N 0.76 0.35 0.52 5.82 0.00 -1.96 0.18 103.07 108.74 3i64 h GLY 285 Ca 0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 3i64 h GLY 285 CO 0.03 0.28 -0.03 1.98 0.00 0.00 0.00 176.54 178.80 3i64 h MET 286 N 0.28 0.06 -0.88 4.80 -1.53 -1.68 -1.77 114.93 114.21 3i64 h MET 286 Ca 0.03 -0.04 0.09 0.00 -3.44 0.00 0.00 59.70 56.35 3i64 h MET 286 Cb 0.75 0.00 -0.06 0.00 -0.55 0.00 0.00 31.60 31.74 3i64 h MET 286 CO 0.06 0.57 0.57 0.22 0.14 0.00 0.00 176.91 178.47 3i64 h ASP 287 N -0.43 0.80 -0.43 1.39 3.58 -0.88 0.93 116.42 121.37 3i64 h ASP 287 Ca 0.00 0.02 -0.09 0.00 0.42 0.00 0.00 57.03 57.38 3i64 h ASP 287 Cb 0.56 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.45 3i64 h ASP 287 CO 0.01 0.48 -0.09 -0.07 -2.88 0.00 0.00 179.24 176.68 3i64 h LEU 288 N 0.88 0.82 -0.33 2.28 3.38 -0.59 -1.95 115.31 119.81 3i64 h LEU 288 Ca 0.40 -0.36 0.03 0.00 0.09 0.00 0.00 57.88 58.05 3i64 h LEU 288 Cb 0.38 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3i64 h LEU 288 CO -0.17 0.99 0.13 -0.09 0.09 0.00 0.00 178.44 179.39 3i64 h ARG 289 N 0.64 0.28 -0.84 1.13 2.43 -0.19 0.30 114.38 118.13 3i64 h ARG 289 Ca 0.11 -0.02 0.03 0.00 -0.81 0.00 0.00 59.98 59.30 3i64 h ARG 289 Cb 0.62 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.06 3i64 h ARG 289 CO 0.04 0.19 0.55 0.52 -1.51 0.00 0.00 179.97 179.76 3i64 h MET 290 N 0.29 1.02 -0.07 0.20 2.86 -0.71 0.21 114.93 118.73 3i64 h MET 290 Ca 0.14 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.69 3i64 h MET 290 Cb 0.09 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 31.52 3i64 h MET 290 CO -0.13 0.68 -0.07 1.25 1.06 0.00 0.00 176.91 179.71 3i64 h LEU 291 N 1.05 0.18 -0.52 1.22 5.85 -0.64 0.13 115.31 122.58 3i64 h LEU 291 Ca 0.33 -0.48 0.03 0.00 0.84 0.00 0.00 57.88 58.61 3i64 h LEU 291 Cb 0.02 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 3i64 h LEU 291 CO -0.10 0.62 0.29 0.74 -0.34 0.00 0.00 178.44 179.66 3i64 h THR 292 N -0.26 1.01 0.20 1.05 2.02 0.17 -0.65 112.91 116.46 3i64 h THR 292 Ca 0.01 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 3i64 h THR 292 Cb 0.57 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.36 3i64 h THR 292 CO 0.02 0.10 -0.10 1.88 0.37 0.00 0.00 175.52 177.80 3i64 h TYR 293 N 0.57 -0.25 0.00 3.16 -1.99 -0.62 0.31 116.97 118.16 3i64 h TYR 293 Ca 0.22 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.94 3i64 h TYR 293 Cb 0.07 0.08 0.00 0.00 2.00 0.00 0.00 36.73 38.88 3i64 h TYR 293 CO -0.08 0.15 0.00 1.19 -0.00 0.00 0.00 178.16 179.43 3i64 n PHE 294 N -4.97 0.00 -1.99 4.88 3.01 -0.67 -4.33 117.46 113.39 3i64 n PHE 294 Ca -0.08 -0.09 -0.05 0.00 1.01 0.00 0.00 57.45 58.24 3i64 n PHE 294 Cb 0.26 -0.01 -0.00 0.00 -0.01 0.00 0.00 39.48 39.72 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 -0.09 0.23 3.44 1.37 0.00 -0.25 -4.64 105.19 105.24 3i64 n GLY 295 Ca 0.00 -0.69 -0.25 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.16 -0.93 3.43 -0.02 0.00 0.35 -3.59 105.19 103.28 3i64 n GLY 296 Ca -0.06 -1.79 -0.14 0.00 0.00 0.00 0.00 46.02 44.04 3i64 n GLY 296 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i64 s LYS 297 N -5.39 0.63 -0.22 1.61 2.20 -0.97 -3.30 119.74 114.29 3i64 s LYS 297 Ca 0.65 0.71 -0.23 0.00 -0.36 0.00 0.00 55.97 56.74 3i64 s LYS 297 Cb -0.02 0.31 -0.01 0.00 -1.51 0.00 0.00 37.83 36.59 3i64 s LYS 297 CO 0.45 -0.08 0.75 -2.00 -0.36 0.00 0.00 175.35 174.11 3i64 s GLU 298 N 0.22 4.19 0.30 4.03 2.12 -1.26 -4.32 118.70 123.98 3i64 s GLU 298 Ca -0.00 0.81 0.08 0.00 0.36 0.00 0.00 54.97 56.21 3i64 s GLU 298 Cb -0.04 -3.62 -0.03 0.00 0.26 0.00 0.00 34.13 30.70 3i64 s GLU 298 CO 0.01 -0.41 0.19 1.03 -0.54 0.00 0.00 175.26 175.54 3i64 s ARG 299 N 2.48 2.66 0.56 4.30 0.52 -1.26 -4.65 118.95 123.57 3i64 s ARG 299 Ca 0.32 -1.28 0.00 0.00 -0.52 0.00 0.00 55.73 54.25 3i64 s ARG 299 Cb -0.16 -2.41 0.03 0.00 0.52 0.00 0.00 34.95 32.94 3i64 s ARG 299 CO 0.09 0.23 0.79 -1.54 0.02 0.00 0.00 175.30 174.89 3i64 s SER 300 N -3.88 5.29 0.59 0.23 1.04 -1.26 0.18 113.70 115.89 3i64 s SER 300 Ca 0.36 0.08 0.29 0.00 0.48 0.00 0.00 55.95 57.17 3i64 s SER 300 Cb -0.06 -0.98 1.80 0.00 0.10 0.00 0.00 66.02 66.88 3i64 s SER 300 CO 0.24 -1.14 2.24 -0.07 0.98 0.00 0.00 173.24 175.49 3i64 h LEU 301 N 0.03 0.00 0.00 2.42 3.38 -1.99 -0.62 115.31 118.53 3i64 h LEU 301 Ca -0.43 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.54 3i64 h LEU 301 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3i64 h LEU 301 CO 0.54 0.01 -0.00 0.00 0.09 0.00 0.00 178.44 179.08 3i64 h ALA 302 N 1.99 -0.00 -0.76 1.53 0.00 -1.98 -2.09 119.26 117.95 3i64 h ALA 302 Ca -0.00 -0.41 0.08 0.00 0.00 0.00 0.00 54.91 54.57 3i64 h ALA 302 Cb 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 3i64 h ALA 302 CO 0.00 -0.09 0.50 0.93 0.00 0.00 0.00 179.25 180.59 3i64 h GLU 303 N -0.83 0.73 -0.06 0.00 5.08 -1.74 0.17 114.58 117.92 3i64 h GLU 303 Ca -0.00 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3i64 h GLU 303 Cb 0.83 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 3i64 h GLU 303 CO 0.00 0.48 -0.05 -0.07 -1.00 0.00 0.00 179.01 178.37 3i64 h LEU 304 N 0.75 0.15 -0.90 1.33 3.38 -1.20 -2.69 115.31 116.12 3i64 h LEU 304 Ca 0.34 -0.48 0.11 0.00 0.09 0.00 0.00 57.88 57.94 3i64 h LEU 304 Cb 0.34 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 40.97 3i64 h LEU 304 CO -0.12 0.59 0.54 1.23 0.09 0.00 0.00 178.44 180.77 3i64 h GLY 305 N -0.30 1.43 1.03 0.83 0.00 -0.52 0.16 103.07 105.70 3i64 h GLY 305 Ca 0.01 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 3i64 h GLY 305 CO 0.01 0.14 0.55 -2.09 0.00 0.00 0.00 176.54 175.15 3i64 h GLU 306 N 0.88 1.28 -0.07 4.80 4.81 -0.67 -0.87 114.58 124.74 3i64 h GLU 306 Ca 0.44 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.52 3i64 h GLU 306 Cb 0.41 -0.26 -0.00 0.00 0.63 0.00 0.00 28.75 29.53 3i64 h GLU 306 CO -0.26 0.91 -0.04 -0.07 -0.73 0.00 0.00 179.01 178.83 3i64 h LEU 307 N 1.30 0.16 -1.17 1.64 3.38 -0.77 -2.99 115.31 116.86 3i64 h LEU 307 Ca 0.33 -0.41 0.13 0.00 0.09 0.00 0.00 57.88 58.02 3i64 h LEU 307 Cb -0.03 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 40.60 3i64 h LEU 307 CO -0.06 0.54 0.60 0.00 0.09 0.00 0.00 178.44 179.61 3i64 h ALA 308 N 0.63 1.70 -0.02 1.53 0.00 -0.50 -1.20 119.26 121.39 3i64 h ALA 308 Ca 0.02 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.98 3i64 h ALA 308 Cb 0.48 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 3i64 h ALA 308 CO 0.01 0.06 -0.24 0.00 0.00 0.00 0.00 179.25 179.08 3i64 h ALA 309 N 1.58 -0.29 0.00 0.00 0.00 -1.02 0.36 119.26 119.88 3i64 h ALA 309 Ca 0.47 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.38 3i64 h ALA 309 Cb 0.62 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3i64 h ALA 309 CO -0.23 -0.73 0.00 1.04 0.00 0.00 0.00 179.25 179.33 3i64 n GLN 310 N -5.36 0.09 -0.45 0.00 6.02 -0.48 -0.96 117.38 116.25 3i64 n GLN 310 Ca -0.04 0.55 0.08 0.00 -0.01 0.00 0.00 57.00 57.57 3i64 n GLN 310 Cb 0.27 -1.77 0.26 0.00 1.02 0.00 0.00 30.24 30.02 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 -1.67 2.91 -1.75 -1.58 0.00 -0.20 -4.94 120.51 113.28 3i64 n ALA 311 Ca -0.00 -1.91 -0.14 0.00 0.00 0.00 0.00 53.44 51.39 3i64 n ALA 311 Cb 0.05 -0.73 -0.04 0.00 0.00 0.00 0.00 19.45 18.73 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 0.06 0.77 3.67 0.00 0.00 -0.13 -4.63 105.19 104.92 3i64 n GLY 312 Ca 0.20 -0.36 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 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 -3.42 3.02 -0.15 0.99 1.43 0.11 -1.72 118.68 118.94 3i64 s LEU 313 Ca 0.00 -1.08 -0.05 0.00 -1.03 0.00 0.00 54.13 51.97 3i64 s LEU 313 Cb 0.00 -1.32 0.07 0.00 0.03 0.00 0.00 46.19 44.97 3i64 s LEU 313 CO 0.00 -0.38 0.31 0.00 0.23 0.00 0.00 176.35 176.50 3i64 s ALA 314 N -2.58 -0.73 0.33 4.21 0.00 0.49 -3.08 121.76 120.41 3i64 s ALA 314 Ca 0.37 1.10 -0.28 0.00 0.00 0.00 0.00 51.96 53.16 3i64 s ALA 314 Cb 0.03 -1.08 -0.13 0.00 0.00 0.00 0.00 23.12 21.94 3i64 s ALA 314 CO 0.20 -0.64 1.19 0.28 0.00 0.00 0.00 175.76 176.80 3i64 n VAL 315 N 5.27 2.02 -0.44 0.00 0.31 -1.26 -2.72 118.33 121.52 3i64 n VAL 315 Ca -0.08 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.75 3i64 n VAL 315 Cb 0.50 -1.38 0.00 0.00 -0.91 0.00 0.00 33.84 32.05 3i64 n VAL 315 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3i64 n ARG 316 N 0.59 0.46 -3.55 5.55 1.74 0.36 -4.93 116.66 116.89 3i64 n ARG 316 Ca 0.06 -0.04 -0.08 0.00 -0.77 0.00 0.00 57.85 57.02 3i64 n ARG 316 Cb 0.35 -0.35 -0.02 0.00 -1.02 0.00 0.00 32.46 31.42 3i64 n ARG 316 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i64 s ALA 317 N -0.08 -1.78 -0.38 7.54 0.00 -1.15 -4.97 121.76 120.94 3i64 s ALA 317 Ca 0.00 0.82 0.06 0.00 0.00 0.00 0.00 51.96 52.85 3i64 s ALA 317 Cb 0.00 0.48 0.18 0.00 0.00 0.00 0.00 23.12 23.78 3i64 s ALA 317 CO 0.00 -0.76 0.65 0.00 0.00 0.00 0.00 175.76 175.65 3i64 s ALA 318 N -3.17 -2.52 -0.27 0.00 0.00 -1.26 -1.77 121.76 112.77 3i64 s ALA 318 Ca 0.06 0.48 -0.19 0.00 0.00 0.00 0.00 51.96 52.31 3i64 s ALA 318 Cb -0.01 -2.71 -0.02 0.00 0.00 0.00 0.00 23.12 20.38 3i64 s ALA 318 CO -0.07 -2.14 0.58 -1.01 0.00 0.00 0.00 175.76 173.12 3i64 s HIS 319 N 2.09 3.26 -0.44 0.00 3.76 -0.94 -4.91 115.29 118.12 3i64 s HIS 319 Ca 0.15 0.67 -0.26 0.00 -0.15 0.00 0.00 55.06 55.47 3i64 s HIS 319 Cb -0.05 -2.83 0.02 0.00 1.11 0.00 0.00 32.58 30.84 3i64 s HIS 319 CO -0.12 -0.35 0.94 -1.25 -0.85 0.00 0.00 174.74 173.11 3i64 s PRO 320 N 2.45 3.63 -0.13 8.40 0.04 -1.26 -2.26 135.00 145.86 3i64 s PRO 320 Ca 0.24 0.29 -0.02 0.00 0.04 0.00 0.00 61.00 61.55 3i64 s PRO 320 Cb -0.15 -3.89 -0.03 0.00 0.04 0.00 0.00 34.50 30.47 3i64 s PRO 320 CO 0.10 -1.16 -0.06 0.96 0.04 0.00 0.00 177.00 176.88 3i64 s ILE 321 N 3.72 3.71 0.00 0.56 -5.25 -0.80 -4.99 121.20 118.16 3i64 s ILE 321 Ca 0.38 -0.44 0.00 0.00 -0.99 0.00 0.00 60.65 59.60 3i64 s ILE 321 Cb -0.10 -2.59 0.00 0.00 2.95 0.00 0.00 42.46 42.72 3i64 s ILE 321 CO 0.25 0.52 0.00 -1.20 -1.79 0.00 0.00 174.94 172.72 3i64 n SER 322 N 3.22 0.00 -1.05 4.36 7.64 -1.26 -2.08 113.62 124.45 3i64 n SER 322 Ca -0.18 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.80 3i64 n SER 322 Cb 0.53 0.00 0.24 0.00 -1.01 0.00 0.00 64.21 63.97 3i64 n SER 322 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 3i64 n TYR 323 N 14.00 0.72 -4.10 1.43 4.02 -1.25 -4.99 117.16 126.99 3i64 n TYR 323 Ca 0.00 -0.46 -0.06 0.00 -0.01 0.00 0.00 57.90 57.37 3i64 n TYR 323 Cb 0.00 -0.01 -0.02 0.00 -0.02 0.00 0.00 39.34 39.29 3i64 n TYR 323 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 176.86 177.18 3i64 n VAL 324 N 1.20 0.00 -4.17 -0.72 0.24 -0.88 -3.57 118.33 110.42 3i64 n VAL 324 Ca 0.19 -0.70 -0.14 0.00 -2.04 0.00 0.00 64.34 61.65 3i64 n VAL 324 Cb 0.54 0.32 -0.11 0.00 -1.47 0.00 0.00 33.84 33.12 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 -1.69 1.44 -0.27 -1.34 0.01 -1.17 -1.90 113.70 108.78 3i64 s SER 325 Ca 0.10 -0.81 0.02 0.00 1.31 0.00 0.00 55.95 56.57 3i64 s SER 325 Cb 0.00 0.01 0.07 0.00 0.21 0.00 0.00 66.02 66.31 3i64 s SER 325 CO 0.07 -0.27 -0.06 -0.51 0.41 0.00 0.00 173.24 172.88 3i64 s ILE 326 N -2.45 1.96 -0.25 1.44 2.07 -0.96 -2.04 121.20 120.97 3i64 s ILE 326 Ca 0.05 -1.61 -0.10 0.00 -1.41 0.00 0.00 60.65 57.58 3i64 s ILE 326 Cb -0.03 -2.18 -0.04 0.00 0.13 0.00 0.00 42.46 40.34 3i64 s ILE 326 CO -0.00 -0.15 0.14 0.68 -1.91 0.00 0.00 174.94 173.69 3i64 s VAL 327 N 1.17 5.05 -0.33 4.00 -7.23 0.17 -2.21 120.40 121.03 3i64 s VAL 327 Ca -0.05 0.08 -0.18 0.00 -1.81 0.00 0.00 61.98 60.02 3i64 s VAL 327 Cb -0.19 -3.36 -0.01 0.00 0.56 0.00 0.00 36.38 33.37 3i64 s VAL 327 CO -0.06 0.33 0.51 -0.70 -0.31 0.00 0.00 175.10 174.86 3i64 s GLU 328 N 1.31 3.74 0.09 4.82 2.12 -0.73 -1.31 118.70 128.74 3i64 s GLU 328 Ca 0.06 -0.04 0.08 0.00 0.36 0.00 0.00 54.97 55.43 3i64 s GLU 328 Cb -0.14 -3.77 -0.04 0.00 0.26 0.00 0.00 34.13 30.44 3i64 s GLU 328 CO 0.06 -0.56 -0.15 -1.64 -0.54 0.00 0.00 175.26 172.42 3i64 s MET 329 N 2.36 1.98 0.26 4.30 -1.94 0.55 -0.48 119.30 126.33 3i64 s MET 329 Ca 0.19 -1.07 0.01 0.00 -1.71 0.00 0.00 55.69 53.12 3i64 s MET 329 Cb -0.15 -2.20 -0.04 0.00 2.01 0.00 0.00 34.83 34.44 3i64 s MET 329 CO 0.12 0.51 0.14 0.95 -0.01 0.00 0.00 175.02 176.73 3i64 s THR 330 N -1.10 0.29 0.23 2.05 -4.23 -1.10 -0.36 115.64 111.42 3i64 s THR 330 Ca 0.18 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.39 3i64 s THR 330 Cb -0.11 -2.55 -0.09 0.00 1.34 0.00 0.00 72.50 71.09 3i64 s THR 330 CO 0.10 0.00 1.27 0.00 -0.54 0.00 0.00 174.62 175.45 3i64 s ALA 331 N -3.82 3.50 -2.42 3.99 0.00 -1.26 -0.38 121.76 121.37 3i64 s ALA 331 Ca 0.38 1.10 0.29 0.00 0.00 0.00 0.00 51.96 53.72 3i64 s ALA 331 Cb 0.06 -3.46 1.19 0.00 0.00 0.00 0.00 23.12 20.91 3i64 s ALA 331 CO 0.15 -0.50 1.82 1.47 0.00 0.00 0.00 175.76 178.70