#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xpu s ASN 2 N 0.00 2.03 0.05 6.12 3.84 -1.26 -0.18 114.94 125.54 1xpu s ASN 2 Ca 0.00 -0.35 -0.33 0.00 0.21 0.00 0.00 52.86 52.40 1xpu s ASN 2 Cb 0.00 -0.90 -0.19 0.00 -0.55 0.00 0.00 41.25 39.62 1xpu s ASN 2 CO 0.00 0.07 1.48 0.25 -2.79 0.00 0.00 177.10 176.11 1xpu h LEU 3 N 6.85 -0.86 -1.63 3.21 6.46 -1.73 -1.58 115.31 126.03 1xpu h LEU 3 Ca -0.29 0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.45 1xpu h LEU 3 Cb 1.20 0.22 -0.01 0.00 -0.73 0.00 0.00 40.66 41.34 1xpu h LEU 3 CO 0.47 -0.57 -0.19 0.71 -0.62 0.00 0.00 178.44 178.25 1xpu h THR 4 N -1.10 1.12 -0.44 1.05 1.35 -1.93 -0.49 112.91 112.47 1xpu h THR 4 Ca -0.10 -0.65 -0.09 0.00 -0.55 0.00 0.00 66.41 65.02 1xpu h THR 4 Cb 0.80 1.35 -0.02 0.00 -1.73 0.00 0.00 68.15 68.55 1xpu h THR 4 CO 0.17 0.18 -0.09 -0.33 -0.25 0.00 0.00 175.52 175.20 1xpu h GLU 5 N 0.00 0.79 0.02 4.72 5.08 -1.94 -3.01 114.58 120.24 1xpu h GLU 5 Ca -0.00 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1xpu h GLU 5 Cb 0.34 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.52 1xpu h GLU 5 CO 0.02 0.86 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.81 1xpu h LEU 6 N 0.72 -0.02 -1.65 1.33 3.38 -0.08 -2.62 115.31 116.37 1xpu h LEU 6 Ca 0.12 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1xpu h LEU 6 Cb 0.57 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1xpu h LEU 6 CO 0.04 0.56 0.00 0.07 0.09 0.00 0.00 178.44 179.20 1xpu h LYS 7 N -0.61 0.00 0.10 1.13 2.10 -1.43 -2.08 116.57 115.79 1xpu h LYS 7 Ca -0.00 0.00 -0.28 0.00 -2.00 0.00 0.00 60.65 58.37 1xpu h LYS 7 Cb 0.58 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.90 1xpu h LYS 7 CO 0.00 0.00 -1.33 -0.91 -2.00 0.00 0.00 179.45 175.22 1xpu h ASN 8 N 0.00 0.34 -3.20 7.07 4.21 -1.52 -3.45 115.58 119.03 1xpu h ASN 8 Ca 0.00 -0.41 -0.53 0.00 1.21 0.00 0.00 56.30 56.57 1xpu h ASN 8 Cb 0.29 -0.11 0.02 0.00 -1.12 0.00 0.00 38.32 37.40 1xpu h ASN 8 CO 0.00 1.33 0.64 0.42 -1.29 0.00 0.00 177.43 178.53 1xpu s THR 9 N -2.65 3.53 0.76 2.81 -4.23 -0.78 -4.99 115.64 110.10 1xpu s THR 9 Ca -0.05 1.15 -0.15 0.00 -1.18 0.00 0.00 61.69 61.46 1xpu s THR 9 Cb 0.07 -3.74 -0.01 0.00 1.34 0.00 0.00 72.50 70.17 1xpu s THR 9 CO 0.86 0.12 0.69 -2.65 -0.54 0.00 0.00 174.62 173.10 1xpu n PRO 10 N 3.48 0.26 -0.32 3.99 -0.02 -1.26 -4.76 135.00 136.37 1xpu n PRO 10 Ca 0.09 0.14 -0.01 0.00 -2.02 0.00 0.00 63.50 61.70 1xpu n PRO 10 Cb 0.44 -1.99 0.12 0.00 -0.02 0.00 0.00 33.50 32.05 1xpu n PRO 10 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1xpu h VAL 11 N -0.55 1.11 -0.49 -1.45 2.07 -1.94 -2.31 116.25 112.71 1xpu h VAL 11 Ca -0.46 -0.36 0.06 0.00 0.82 0.00 0.00 66.70 66.76 1xpu h VAL 11 Cb 1.33 -0.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 1xpu h VAL 11 CO 0.43 0.19 0.19 0.77 0.02 0.00 0.00 177.57 179.17 1xpu h SER 12 N 1.06 0.22 0.80 0.57 4.64 -2.01 -0.94 113.55 117.90 1xpu h SER 12 Ca 0.36 0.05 -0.06 0.00 -0.47 0.00 0.00 61.79 61.66 1xpu h SER 12 Cb 0.05 0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1xpu h SER 12 CO -0.13 0.16 -0.30 -0.33 -0.87 0.00 0.00 176.83 175.35 1xpu h GLU 13 N 0.38 0.00 -0.34 4.77 5.08 -1.86 -3.00 114.58 119.62 1xpu h GLU 13 Ca 0.23 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.47 1xpu h GLU 13 Cb 0.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1xpu h GLU 13 CO -0.22 0.30 -0.28 -0.07 -1.00 0.00 0.00 179.01 177.75 1xpu h LEU 14 N 0.00 0.72 0.07 1.33 -0.00 -0.64 -1.58 115.31 115.21 1xpu h LEU 14 Ca -0.00 -0.28 -0.00 0.00 -0.00 0.00 0.00 57.88 57.60 1xpu h LEU 14 Cb 0.78 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 41.25 1xpu h LEU 14 CO 0.04 0.96 -0.04 0.40 -0.00 0.00 0.00 178.44 179.81 1xpu h ILE 15 N 0.61 1.17 0.00 1.22 2.04 -1.25 -2.42 117.51 118.88 1xpu h ILE 15 Ca 0.08 -0.91 0.00 0.00 1.00 0.00 0.00 64.86 65.03 1xpu h ILE 15 Cb 0.78 1.75 0.00 0.00 -0.74 0.00 0.00 36.82 38.61 1xpu h ILE 15 CO 0.06 0.22 0.00 0.35 0.00 0.00 0.00 178.15 178.79 1xpu n THR 16 N -4.94 0.53 -0.06 -0.27 -2.24 -1.14 -1.08 114.28 105.08 1xpu n THR 16 Ca -0.08 0.13 -0.13 0.00 -2.27 0.00 0.00 64.05 61.69 1xpu n THR 16 Cb 0.23 -0.85 -0.14 0.00 -2.10 0.00 0.00 70.33 67.47 1xpu n THR 16 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1xpu n LEU 17 N -1.31 1.40 0.12 3.22 0.00 -0.60 -4.15 117.00 115.69 1xpu n LEU 17 Ca 0.08 0.16 -0.21 0.00 0.00 0.00 0.00 56.01 56.03 1xpu n LEU 17 Cb 0.14 -0.22 -0.14 0.00 0.00 0.00 0.00 43.42 43.20 1xpu n LEU 17 CO 0.13 0.62 -0.12 1.23 0.00 0.00 0.00 177.39 179.25 1xpu h GLY 18 N 2.84 0.55 1.34 -3.96 0.00 -0.90 -3.33 103.07 99.61 1xpu h GLY 18 Ca -0.44 -1.31 0.01 0.00 0.00 0.00 0.00 47.33 45.59 1xpu h GLY 18 CO 0.04 1.15 0.44 0.83 0.00 0.00 0.00 176.54 178.99 1xpu h GLU 19 N 0.16 0.85 0.00 4.80 5.08 -1.27 -0.05 114.58 124.15 1xpu h GLU 19 Ca -0.20 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1xpu h GLU 19 Cb 2.03 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 31.09 1xpu h GLU 19 CO 0.24 0.56 0.00 0.09 -1.00 0.00 0.00 179.01 178.91 1xpu n ASN 20 N -4.44 0.00 -0.41 1.42 4.13 -1.25 -1.98 115.26 112.73 1xpu n ASN 20 Ca 0.07 -0.02 0.04 0.00 1.68 0.00 0.00 54.58 56.35 1xpu n ASN 20 Cb 0.05 -0.23 0.10 0.00 -1.54 0.00 0.00 39.78 38.17 1xpu n ASN 20 CO 0.00 0.00 0.00 0.23 0.28 0.00 0.00 177.26 177.77 1xpu n MET 21 N -1.23 2.87 -1.49 3.52 2.81 -0.06 -4.98 117.12 118.57 1xpu n MET 21 Ca 0.07 -1.91 0.00 0.00 -1.81 0.00 0.00 57.70 54.05 1xpu n MET 21 Cb 0.09 -1.21 0.00 0.00 -0.71 0.00 0.00 33.22 31.39 1xpu n MET 21 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xpu n GLY 22 N 0.04 0.67 3.60 3.03 0.00 -0.84 -5.05 105.19 106.65 1xpu n GLY 22 Ca 0.08 -0.73 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 1xpu n GLY 22 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xpu s LEU 23 N 0.00 4.05 -0.07 0.99 1.43 -1.02 -5.02 118.68 119.05 1xpu s LEU 23 Ca 0.00 0.27 -0.17 0.00 -1.03 0.00 0.00 54.13 53.20 1xpu s LEU 23 Cb 0.00 -2.42 -0.05 0.00 0.03 0.00 0.00 46.19 43.76 1xpu s LEU 23 CO 0.00 -0.19 0.45 -1.61 0.23 0.00 0.00 176.35 175.23 1xpu s GLU 24 N 2.06 4.19 -1.21 1.70 2.02 -1.26 -4.17 118.70 122.03 1xpu s GLU 24 Ca 0.15 0.43 -0.27 0.00 0.02 0.00 0.00 54.97 55.29 1xpu s GLU 24 Cb -0.16 -3.35 0.02 0.00 0.10 0.00 0.00 34.13 30.74 1xpu s GLU 24 CO 0.10 0.37 0.69 0.09 0.02 0.00 0.00 175.26 176.53 1xpu n ASN 25 N 2.92 -4.21 0.12 -0.19 4.13 -1.26 -4.86 115.26 111.90 1xpu n ASN 25 Ca -0.10 -1.19 0.12 0.00 1.68 0.00 0.00 54.58 55.09 1xpu n ASN 25 Cb 0.52 -2.32 0.46 0.00 -1.54 0.00 0.00 39.78 36.89 1xpu n ASN 25 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1xpu n LEU 26 N -4.71 0.74 0.16 3.41 4.77 -1.26 -3.60 117.00 116.50 1xpu n LEU 26 Ca -0.12 0.63 0.12 0.00 -0.03 0.00 0.00 56.01 56.60 1xpu n LEU 26 Cb 0.58 -0.46 0.58 0.00 -2.33 0.00 0.00 43.42 41.79 1xpu n LEU 26 CO 0.72 -0.39 0.85 0.00 -1.33 0.00 0.00 177.39 177.24 1xpu n ALA 27 N -1.78 1.19 -1.41 -1.18 0.00 -1.26 -2.39 120.51 113.68 1xpu n ALA 27 Ca 0.04 0.18 -0.08 0.00 0.00 0.00 0.00 53.44 53.57 1xpu n ALA 27 Cb 0.32 -1.34 0.20 0.00 0.00 0.00 0.00 19.45 18.63 1xpu n ALA 27 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1xpu n ARG 28 N -2.28 1.93 -3.90 0.00 3.00 -1.24 -4.94 116.66 109.24 1xpu n ARG 28 Ca -0.01 -3.16 -0.11 0.00 -0.00 0.00 0.00 57.85 54.58 1xpu n ARG 28 Cb 0.08 -1.89 -0.10 0.00 0.00 0.00 0.00 32.46 30.55 1xpu n ARG 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1xpu s MET 29 N -3.26 0.42 0.62 -0.14 0.23 -1.00 -5.16 119.30 111.00 1xpu s MET 29 Ca 0.47 -0.43 -0.18 0.00 -1.03 0.00 0.00 55.69 54.52 1xpu s MET 29 Cb 0.42 0.17 -0.02 0.00 -1.53 0.00 0.00 34.83 33.87 1xpu s MET 29 CO 0.02 -0.09 1.17 -0.98 -2.03 0.00 0.00 175.02 173.10 1xpu s ARG 30 N -1.34 2.90 0.29 3.16 1.70 -1.26 -4.71 118.95 119.69 1xpu s ARG 30 Ca -0.14 1.67 0.07 0.00 -0.47 0.00 0.00 55.73 56.86 1xpu s ARG 30 Cb -0.08 -1.94 0.85 0.00 -0.57 0.00 0.00 34.95 33.21 1xpu s ARG 30 CO 0.01 -1.22 1.38 1.17 -1.08 0.00 0.00 175.30 175.56 1xpu n LYS 31 N -1.86 -0.06 0.10 3.89 4.81 -1.26 -0.44 118.16 123.33 1xpu n LYS 31 Ca 0.12 1.28 -0.12 0.00 -0.87 0.00 0.00 58.31 58.73 1xpu n LYS 31 Cb 0.50 -2.12 -0.05 0.00 0.02 0.00 0.00 35.03 33.38 1xpu n LYS 31 CO 0.00 0.00 0.00 0.37 1.17 0.00 0.00 177.40 178.94 1xpu h GLN 32 N 0.00 -0.40 -0.66 1.64 5.75 -2.01 -1.97 115.11 117.46 1xpu h GLN 32 Ca 0.61 0.03 -0.02 0.00 -0.15 0.00 0.00 58.65 59.11 1xpu h GLN 32 Cb 1.40 0.09 -0.03 0.00 1.07 0.00 0.00 27.48 30.01 1xpu h GLN 32 CO -0.78 -0.27 0.32 -0.44 -2.65 0.00 0.00 178.83 175.01 1xpu h ASP 33 N -0.42 0.85 -0.28 -0.69 3.32 -1.09 -2.45 116.42 115.66 1xpu h ASP 33 Ca 0.04 -0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.01 1xpu h ASP 33 Cb 0.46 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1xpu h ASP 33 CO -0.16 0.72 0.17 0.40 -1.72 0.00 0.00 179.24 178.66 1xpu h ILE 34 N 0.94 1.06 -0.21 0.35 2.04 -1.07 0.29 117.51 120.89 1xpu h ILE 34 Ca 0.23 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.98 1xpu h ILE 34 Cb 0.09 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 36.82 1xpu h ILE 34 CO -0.03 0.07 0.10 0.40 0.00 0.00 0.00 178.15 178.69 1xpu h ILE 35 N 0.36 0.99 -0.85 -0.67 2.04 -1.11 0.23 117.51 118.51 1xpu h ILE 35 Ca 0.10 -0.08 -0.02 0.00 1.00 0.00 0.00 64.86 65.87 1xpu h ILE 35 Cb -0.03 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 1xpu h ILE 35 CO -0.03 0.04 0.44 -0.26 0.00 0.00 0.00 178.15 178.34 1xpu h PHE 36 N 0.22 1.18 0.00 1.37 0.05 -1.24 0.16 116.94 118.68 1xpu h PHE 36 Ca 0.09 -0.04 -0.03 0.00 3.82 0.00 0.00 57.97 61.81 1xpu h PHE 36 Cb 0.02 -0.37 -0.00 0.00 2.00 0.00 0.00 35.95 37.59 1xpu h PHE 36 CO -0.09 0.83 -0.12 0.00 -0.18 0.00 0.00 178.31 178.74 1xpu h ALA 37 N 1.29 1.06 0.00 2.45 0.00 0.02 -1.09 119.26 123.00 1xpu h ALA 37 Ca 0.30 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1xpu h ALA 37 Cb 0.06 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1xpu h ALA 37 CO -0.04 0.15 -0.55 0.82 0.00 0.00 0.00 179.25 179.62 1xpu h ILE 38 N 0.00 1.08 -0.53 0.00 2.04 -0.24 -2.97 117.51 116.89 1xpu h ILE 38 Ca -0.00 -2.01 -0.05 0.00 1.00 0.00 0.00 64.86 63.80 1xpu h ILE 38 Cb 0.56 2.24 -0.02 0.00 -0.74 0.00 0.00 36.82 38.86 1xpu h ILE 38 CO 0.02 0.37 0.13 -0.07 0.00 0.00 0.00 178.15 178.59 1xpu h LEU 39 N -1.00 0.76 -0.93 1.44 3.38 -1.03 -1.67 115.31 116.26 1xpu h LEU 39 Ca -0.14 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.61 1xpu h LEU 39 Cb 0.97 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 1xpu h LEU 39 CO -0.08 0.75 -0.07 0.50 0.09 0.00 0.00 178.44 179.62 1xpu h LYS 40 N 0.79 0.70 0.00 1.13 3.64 -1.37 -2.94 116.57 118.51 1xpu h LYS 40 Ca 0.17 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 1xpu h LYS 40 Cb 0.30 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1xpu h LYS 40 CO -0.00 0.76 -0.03 0.37 -2.27 0.00 0.00 179.45 178.28 1xpu h GLN 41 N 0.64 0.00 -1.70 1.90 5.75 -1.14 -0.94 115.11 119.62 1xpu h GLN 41 Ca 0.12 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 1xpu h GLN 41 Cb 0.51 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.06 1xpu h GLN 41 CO 0.03 0.03 0.00 0.72 -2.65 0.00 0.00 178.83 176.96 1xpu n HIS 42 N -3.64 0.00 0.87 3.99 8.25 -1.09 -3.38 115.22 120.23 1xpu n HIS 42 Ca -0.03 -0.12 0.04 0.00 -0.26 0.00 0.00 57.72 57.36 1xpu n HIS 42 Cb 0.13 -0.13 0.26 0.00 1.12 0.00 0.00 29.99 31.36 1xpu n HIS 42 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xpu n ALA 43 N 0.86 1.99 -0.72 -1.41 0.00 -0.36 -4.23 120.51 116.64 1xpu n ALA 43 Ca 0.00 -0.05 -0.27 0.00 0.00 0.00 0.00 53.44 53.12 1xpu n ALA 43 Cb 0.12 -1.14 -0.04 0.00 0.00 0.00 0.00 19.45 18.39 1xpu n ALA 43 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xpu n LYS 44 N -0.81 1.38 0.00 0.00 5.02 -1.22 -4.88 118.16 117.65 1xpu n LYS 44 Ca 0.06 -1.37 0.00 0.00 -2.02 0.00 0.00 58.31 54.98 1xpu n LYS 44 Cb 0.03 -2.52 0.00 0.00 -0.02 0.00 0.00 35.03 32.52 1xpu n LYS 44 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1xpu n SER 45 N 5.76 0.00 0.00 4.39 7.64 -1.26 -1.92 113.62 128.23 1xpu n SER 45 Ca 0.39 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.27 1xpu n SER 45 Cb 0.22 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.42 1xpu n SER 45 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xpu n GLY 46 N 0.00 0.79 3.68 0.23 0.00 -1.26 -5.06 105.19 103.56 1xpu n GLY 46 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1xpu n GLY 46 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xpu s GLU 47 N -0.60 4.23 -0.08 1.61 0.41 -0.81 -5.05 118.70 118.42 1xpu s GLU 47 Ca 0.00 0.40 -0.26 0.00 -0.41 0.00 0.00 54.97 54.70 1xpu s GLU 47 Cb 0.00 -3.52 -0.03 0.00 -1.78 0.00 0.00 34.13 28.80 1xpu s GLU 47 CO 0.00 -0.05 0.85 -0.51 -0.49 0.00 0.00 175.26 175.06 1xpu s ASP 48 N 0.99 7.12 -0.10 -0.19 1.01 -1.26 -4.94 116.67 119.30 1xpu s ASP 48 Ca 0.24 1.36 0.01 0.00 0.71 0.00 0.00 52.55 54.88 1xpu s ASP 48 Cb -0.15 -2.48 -0.02 0.00 1.01 0.00 0.00 42.92 41.28 1xpu s ASP 48 CO 0.10 -0.27 -0.14 -0.63 0.21 0.00 0.00 175.17 174.44 1xpu s ILE 49 N 1.34 2.99 0.28 0.77 1.01 -1.26 -4.61 121.20 121.72 1xpu s ILE 49 Ca 0.43 -0.71 0.12 0.00 0.00 0.00 0.00 60.65 60.49 1xpu s ILE 49 Cb -0.18 -2.22 -0.05 0.00 0.01 0.00 0.00 42.46 40.01 1xpu s ILE 49 CO 0.20 0.55 -0.19 -0.36 0.00 0.00 0.00 174.94 175.14 1xpu s PHE 50 N -0.02 2.32 0.09 3.97 0.08 0.74 0.17 117.98 125.33 1xpu s PHE 50 Ca -0.04 -0.33 -0.24 0.00 0.12 0.00 0.00 56.93 56.44 1xpu s PHE 50 Cb -0.14 -1.02 0.06 0.00 -0.57 0.00 0.00 43.02 41.35 1xpu s PHE 50 CO 0.04 0.71 0.58 0.20 -0.10 0.00 0.00 175.22 176.65 1xpu s GLY 51 N -3.52 -0.54 0.09 4.36 0.00 -0.54 -1.67 107.32 105.49 1xpu s GLY 51 Ca 0.30 0.64 -0.01 0.00 0.00 0.00 0.00 44.72 45.66 1xpu s GLY 51 CO 0.15 0.32 0.00 0.51 0.00 0.00 0.00 173.10 174.08 1xpu s ASP 52 N -2.26 0.47 0.00 1.64 1.47 -1.26 -1.55 116.67 115.17 1xpu s ASP 52 Ca -0.03 -1.09 0.00 0.00 1.18 0.00 0.00 52.55 52.62 1xpu s ASP 52 Cb -0.00 0.23 0.00 0.00 -0.34 0.00 0.00 42.92 42.81 1xpu s ASP 52 CO -0.06 -0.64 0.00 0.61 0.68 0.00 0.00 175.17 175.76 1xpu n GLY 53 N 0.01 0.37 3.68 2.12 0.00 -0.41 -4.87 105.19 106.11 1xpu n GLY 53 Ca -0.10 -1.00 -0.37 0.00 0.00 0.00 0.00 46.02 44.55 1xpu n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xpu s VAL 54 N -2.00 5.32 0.21 1.61 1.01 0.42 -0.93 120.40 126.03 1xpu s VAL 54 Ca 0.00 0.38 -0.30 0.00 0.00 0.00 0.00 61.98 62.06 1xpu s VAL 54 Cb 0.00 -3.58 -0.09 0.00 0.00 0.00 0.00 36.38 32.72 1xpu s VAL 54 CO 0.00 0.34 1.25 -0.22 0.00 0.00 0.00 175.10 176.47 1xpu s LEU 55 N 0.93 4.44 -0.31 3.92 2.96 0.73 0.07 118.68 131.42 1xpu s LEU 55 Ca 0.12 2.34 0.02 0.00 -0.22 0.00 0.00 54.13 56.39 1xpu s LEU 55 Cb -0.13 -3.61 0.09 0.00 0.50 0.00 0.00 46.19 43.04 1xpu s LEU 55 CO 0.04 -0.44 0.04 -0.70 -1.32 0.00 0.00 176.35 173.98 1xpu s GLU 56 N -0.38 1.26 -0.17 1.98 2.12 0.11 -1.77 118.70 121.85 1xpu s GLU 56 Ca 0.54 -1.42 -0.29 0.00 0.36 0.00 0.00 54.97 54.15 1xpu s GLU 56 Cb -0.35 -2.67 -0.03 0.00 0.26 0.00 0.00 34.13 31.35 1xpu s GLU 56 CO 0.39 -0.88 1.47 0.42 -0.54 0.00 0.00 175.26 176.12 1xpu s ILE 57 N 1.25 3.91 0.98 -3.70 1.01 -1.26 -1.98 121.20 121.41 1xpu s ILE 57 Ca 0.07 1.07 -0.15 0.00 0.00 0.00 0.00 60.65 61.64 1xpu s ILE 57 Cb -0.18 -3.80 0.19 0.00 0.01 0.00 0.00 42.46 38.68 1xpu s ILE 57 CO -0.13 -0.21 1.23 -0.76 0.00 0.00 0.00 174.94 175.07 1xpu s LEU 58 N 4.25 2.16 0.09 2.97 2.01 0.12 -4.97 118.68 125.32 1xpu s LEU 58 Ca 0.65 0.53 -0.25 0.00 0.01 0.00 0.00 54.13 55.07 1xpu s LEU 58 Cb -0.25 -2.63 -0.14 0.00 0.01 0.00 0.00 46.19 43.19 1xpu s LEU 58 CO 0.24 -2.86 1.70 -0.61 1.01 0.00 0.00 176.35 175.83 1xpu h GLN 59 N -1.72 -0.26 -0.12 1.70 5.75 -1.95 -3.26 115.11 115.25 1xpu h GLN 59 Ca -0.46 0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.08 1xpu h GLN 59 Cb 1.28 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 29.86 1xpu h GLN 59 CO 0.45 -0.17 -0.02 -0.44 -2.65 0.00 0.00 178.83 176.01 1xpu h ASP 60 N -0.27 -0.08 0.00 -0.69 5.19 -2.03 -3.46 116.42 115.08 1xpu h ASP 60 Ca -0.01 0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1xpu h ASP 60 Cb 0.24 0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.81 1xpu h ASP 60 CO -0.01 -0.02 0.00 0.61 -3.12 0.00 0.00 179.24 176.70 1xpu n GLY 61 N -1.15 0.16 3.81 2.75 0.00 -1.23 -5.16 105.19 104.37 1xpu n GLY 61 Ca -0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 1xpu n GLY 61 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1xpu n PHE 62 N 0.00 -3.55 -4.02 1.61 1.16 -1.26 -4.35 117.46 107.06 1xpu n PHE 62 Ca 0.00 -1.41 -0.11 0.00 -1.87 0.00 0.00 57.45 54.06 1xpu n PHE 62 Cb 0.00 -0.89 -0.04 0.00 -1.61 0.00 0.00 39.48 36.94 1xpu n PHE 62 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 1xpu s GLY 63 N -5.52 0.86 0.01 4.97 0.00 -0.70 0.14 107.32 107.07 1xpu s GLY 63 Ca 0.70 -1.10 -0.03 0.00 0.00 0.00 0.00 44.72 44.29 1xpu s GLY 63 CO 0.48 -0.74 0.05 -1.36 0.00 0.00 0.00 173.10 171.53 1xpu s PHE 64 N -3.55 0.13 -0.59 1.90 0.08 -0.84 -1.11 117.98 114.01 1xpu s PHE 64 Ca 0.25 -0.28 -0.19 0.00 0.12 0.00 0.00 56.93 56.83 1xpu s PHE 64 Cb -0.01 -0.11 0.10 0.00 -0.57 0.00 0.00 43.02 42.44 1xpu s PHE 64 CO 0.13 -0.21 0.70 -0.51 -0.10 0.00 0.00 175.22 175.23 1xpu s LEU 65 N -1.24 5.39 0.46 -0.37 1.43 0.46 0.09 118.68 124.89 1xpu s LEU 65 Ca -0.13 -1.42 -0.20 0.00 -1.03 0.00 0.00 54.13 51.35 1xpu s LEU 65 Cb -0.08 -2.31 -0.10 0.00 0.03 0.00 0.00 46.19 43.74 1xpu s LEU 65 CO 0.00 -1.10 0.97 -0.13 0.23 0.00 0.00 176.35 176.32 1xpu s ARG 66 N 2.66 4.10 -0.13 1.70 1.81 0.11 -3.39 118.95 125.82 1xpu s ARG 66 Ca 0.11 1.13 -0.08 0.00 -1.72 0.00 0.00 55.73 55.17 1xpu s ARG 66 Cb -0.24 -2.16 -0.04 0.00 -0.45 0.00 0.00 34.95 32.06 1xpu s ARG 66 CO 0.06 -0.14 0.15 -1.54 -0.68 0.00 0.00 175.30 173.15 1xpu s SER 67 N -2.32 6.38 0.27 0.23 1.04 -1.26 -0.44 113.70 117.60 1xpu s SER 67 Ca 0.62 0.45 0.01 0.00 0.48 0.00 0.00 55.95 57.51 1xpu s SER 67 Cb -0.10 -2.08 0.36 0.00 0.10 0.00 0.00 66.02 64.30 1xpu s SER 67 CO 0.18 0.37 1.71 0.00 0.98 0.00 0.00 173.24 176.48 1xpu h ALA 68 N 5.24 1.06 0.00 5.32 0.00 -1.96 -1.49 119.26 127.44 1xpu h ALA 68 Ca -0.53 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.05 1xpu h ALA 68 Cb 1.22 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1xpu h ALA 68 CO 0.61 0.57 0.00 -0.40 0.00 0.00 0.00 179.25 180.03 1xpu n ASP 69 N -4.13 0.18 0.00 0.00 5.75 -1.26 -1.49 116.55 115.59 1xpu n ASP 69 Ca 0.00 -1.38 0.00 0.00 -0.01 0.00 0.00 54.79 53.40 1xpu n ASP 69 Cb 0.40 -0.09 0.00 0.00 -1.03 0.00 0.00 41.12 40.39 1xpu n ASP 69 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1xpu n SER 70 N -0.33 0.98 -3.51 -1.12 7.64 -1.13 -4.98 113.62 111.17 1xpu n SER 70 Ca 0.00 -1.44 -0.25 0.00 1.01 0.00 0.00 58.87 58.19 1xpu n SER 70 Cb 0.05 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.29 1xpu n SER 70 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1xpu n SER 71 N -0.22 -5.74 -3.38 6.43 7.64 -0.56 -2.57 113.62 115.22 1xpu n SER 71 Ca 0.00 -0.52 -0.24 0.00 1.01 0.00 0.00 58.87 59.11 1xpu n SER 71 Cb 0.32 -4.57 0.03 0.00 -1.01 0.00 0.00 64.21 58.98 1xpu n SER 71 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1xpu n TYR 72 N -4.72 -2.19 -2.74 1.43 4.01 -0.58 -4.82 117.16 107.56 1xpu n TYR 72 Ca -0.01 0.69 -0.41 0.00 -0.16 0.00 0.00 57.90 58.01 1xpu n TYR 72 Cb 0.57 -4.20 -0.05 0.00 -0.31 0.00 0.00 39.34 35.34 1xpu n TYR 72 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1xpu s LEU 73 N -6.90 4.58 -0.27 7.72 0.20 -1.06 -4.87 118.68 118.08 1xpu s LEU 73 Ca 0.45 1.88 -0.28 0.00 0.69 0.00 0.00 54.13 56.87 1xpu s LEU 73 Cb -0.21 -3.60 -0.04 0.00 -0.43 0.00 0.00 46.19 41.90 1xpu s LEU 73 CO 0.56 0.05 2.14 0.00 -0.29 0.00 0.00 176.35 178.81 1xpu s ALA 74 N -0.61 2.67 0.40 5.97 0.00 -1.26 -4.71 121.76 124.21 1xpu s ALA 74 Ca 0.44 0.60 0.08 0.00 0.00 0.00 0.00 51.96 53.07 1xpu s ALA 74 Cb -0.25 -4.09 -0.02 0.00 0.00 0.00 0.00 23.12 18.76 1xpu s ALA 74 CO 0.31 -2.90 0.35 0.20 0.00 0.00 0.00 175.76 173.72 1xpu s GLY 75 N 8.11 2.08 0.00 0.00 0.00 -1.26 -5.01 107.32 111.24 1xpu s GLY 75 Ca 0.96 -1.85 0.23 0.00 0.00 0.00 0.00 44.72 44.05 1xpu s GLY 75 CO 0.34 -1.69 1.75 -1.55 0.00 0.00 0.00 173.10 171.95 1xpu n PRO 76 N -1.49 0.49 -2.40 2.90 -0.04 -1.26 -3.26 135.00 129.93 1xpu n PRO 76 Ca 0.02 0.04 -0.12 0.00 -0.04 0.00 0.00 63.50 63.40 1xpu n PRO 76 Cb 0.61 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.61 1xpu n PRO 76 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1xpu n ASP 77 N -1.17 3.29 -4.78 3.54 3.85 -1.26 -4.80 116.55 115.21 1xpu n ASP 77 Ca 0.13 -2.92 -0.32 0.00 -0.71 0.00 0.00 54.79 50.98 1xpu n ASP 77 Cb 0.14 -0.41 0.05 0.00 -1.35 0.00 0.00 41.12 39.56 1xpu n ASP 77 CO 0.00 0.00 0.00 -1.81 -1.01 0.00 0.00 177.20 174.38 1xpu s ASP 78 N -3.69 5.09 -0.28 -1.12 1.01 -1.20 -4.94 116.67 111.54 1xpu s ASP 78 Ca 0.39 1.84 -0.10 0.00 0.71 0.00 0.00 52.55 55.40 1xpu s ASP 78 Cb 0.37 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.73 1xpu s ASP 78 CO 0.00 -1.64 0.15 -0.63 0.21 0.00 0.00 175.17 173.26 1xpu s ILE 79 N -2.66 4.94 0.06 0.77 1.01 -1.22 -3.98 121.20 120.12 1xpu s ILE 79 Ca 0.63 -0.01 -0.31 0.00 0.00 0.00 0.00 60.65 60.97 1xpu s ILE 79 Cb -0.17 -3.37 -0.06 0.00 0.01 0.00 0.00 42.46 38.87 1xpu s ILE 79 CO 0.48 0.25 1.29 -0.47 0.00 0.00 0.00 174.94 176.48 1xpu s TYR 80 N 1.70 3.28 -0.20 3.97 5.04 0.93 -0.40 117.35 131.68 1xpu s TYR 80 Ca 0.07 1.12 -0.03 0.00 -2.44 0.00 0.00 57.07 55.79 1xpu s TYR 80 Cb -0.16 -3.53 -0.01 0.00 0.35 0.00 0.00 41.96 38.61 1xpu s TYR 80 CO 0.08 -1.78 -0.06 0.08 -1.34 0.00 0.00 175.55 172.53 1xpu s VAL 81 N 1.32 3.35 0.42 3.14 1.01 -0.27 -1.02 120.40 128.37 1xpu s VAL 81 Ca 0.61 -0.51 -0.25 0.00 0.00 0.00 0.00 61.98 61.83 1xpu s VAL 81 Cb -0.32 -2.50 -0.08 0.00 0.00 0.00 0.00 36.38 33.48 1xpu s VAL 81 CO 0.29 0.45 1.25 -0.55 0.00 0.00 0.00 175.10 176.54 1xpu s SER 82 N 1.15 6.27 0.59 3.32 0.15 -1.26 -1.72 113.70 122.20 1xpu s SER 82 Ca 0.02 2.53 0.30 0.00 0.70 0.00 0.00 55.95 59.49 1xpu s SER 82 Cb -0.14 -2.63 1.83 0.00 -1.71 0.00 0.00 66.02 63.37 1xpu s SER 82 CO -0.01 -0.87 2.25 -0.65 1.20 0.00 0.00 173.24 175.16 1xpu h PRO 83 N 2.48 0.00 0.03 5.44 0.11 -1.93 -0.99 132.00 137.14 1xpu h PRO 83 Ca -0.49 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.38 1xpu h PRO 83 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1xpu h PRO 83 CO 0.62 0.00 -1.01 1.03 -0.21 0.00 0.00 178.00 178.43 1xpu h SER 84 N 0.00 0.53 -0.54 -2.05 0.87 -1.91 -3.17 113.55 107.28 1xpu h SER 84 Ca 0.00 -0.45 -0.09 0.00 -1.23 0.00 0.00 61.79 60.01 1xpu h SER 84 Cb 0.02 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.80 1xpu h SER 84 CO -0.00 1.27 -0.03 1.56 -0.53 0.00 0.00 176.83 179.10 1xpu h GLN 85 N 0.21 0.98 -0.96 2.24 4.20 -1.58 -2.93 115.11 117.27 1xpu h GLN 85 Ca -0.10 -0.33 0.03 0.00 0.06 0.00 0.00 58.65 58.31 1xpu h GLN 85 Cb 1.66 -0.08 -0.05 0.00 0.30 0.00 0.00 27.48 29.31 1xpu h GLN 85 CO 0.17 1.00 0.63 0.82 -0.67 0.00 0.00 178.83 180.79 1xpu h ILE 86 N 0.86 1.19 -0.57 2.54 2.04 -1.40 -2.36 117.51 119.81 1xpu h ILE 86 Ca 0.15 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 1xpu h ILE 86 Cb 0.58 -0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 1xpu h ILE 86 CO 0.03 0.23 0.33 0.03 0.00 0.00 0.00 178.15 178.77 1xpu h ARG 87 N 1.24 0.77 0.00 2.37 3.08 -1.49 0.50 114.38 120.86 1xpu h ARG 87 Ca 0.37 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.35 1xpu h ARG 87 Cb -0.05 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.84 1xpu h ARG 87 CO -0.11 0.55 0.00 0.00 -1.07 0.00 0.00 179.97 179.35 1xpu h ARG 88 N 0.79 0.00 0.00 0.04 3.08 -1.26 -3.30 114.38 113.72 1xpu h ARG 88 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1xpu h ARG 88 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1xpu h ARG 88 CO -0.04 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.05 1xpu n PHE 89 N -2.73 0.00 -3.94 3.04 3.72 -1.08 -5.02 117.46 111.45 1xpu n PHE 89 Ca 0.04 -0.19 -0.26 0.00 -0.05 0.00 0.00 57.45 56.98 1xpu n PHE 89 Cb 0.43 -0.02 -0.02 0.00 -0.94 0.00 0.00 39.48 38.93 1xpu n PHE 89 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1xpu n ASN 90 N -0.19 -0.77 -4.82 4.37 5.03 0.11 -4.93 115.26 114.06 1xpu n ASN 90 Ca 0.00 -1.02 -0.32 0.00 0.87 0.00 0.00 54.58 54.10 1xpu n ASN 90 Cb 0.23 -3.01 0.01 0.00 -1.02 0.00 0.00 39.78 35.99 1xpu n ASN 90 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1xpu s LEU 91 N -6.95 3.46 0.07 3.41 1.43 -0.85 -5.05 118.68 114.19 1xpu s LEU 91 Ca 0.05 1.72 -0.06 0.00 -1.03 0.00 0.00 54.13 54.81 1xpu s LEU 91 Cb -0.02 -4.52 -0.02 0.00 0.03 0.00 0.00 46.19 41.66 1xpu s LEU 91 CO 0.89 -1.07 0.10 -0.60 0.23 0.00 0.00 176.35 175.90 1xpu s ARG 92 N -4.27 0.72 0.10 1.70 3.52 -1.26 -4.98 118.95 114.48 1xpu s ARG 92 Ca 0.61 -1.01 -0.31 0.00 -0.13 0.00 0.00 55.73 54.90 1xpu s ARG 92 Cb -0.14 0.28 -0.08 0.00 -1.56 0.00 0.00 34.95 33.44 1xpu s ARG 92 CO 0.39 -0.19 1.49 0.99 -0.81 0.00 0.00 175.30 177.17 1xpu s THR 93 N -3.64 3.13 0.00 4.11 2.01 -1.26 -2.32 115.64 117.66 1xpu s THR 93 Ca 0.04 0.74 0.00 0.00 0.31 0.00 0.00 61.69 62.78 1xpu s THR 93 Cb 0.05 -3.48 0.00 0.00 0.01 0.00 0.00 72.50 69.08 1xpu s THR 93 CO -0.09 0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.48 1xpu n GLY 94 N 3.68 2.87 3.71 4.40 0.00 -0.73 -4.49 105.19 114.64 1xpu n GLY 94 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1xpu n GLY 94 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1xpu s ASP 95 N -1.41 6.54 -0.42 1.61 1.01 -0.98 -4.30 116.67 118.71 1xpu s ASP 95 Ca 0.00 2.65 -0.20 0.00 0.71 0.00 0.00 52.55 55.71 1xpu s ASP 95 Cb 0.00 -2.59 0.02 0.00 1.01 0.00 0.00 42.92 41.36 1xpu s ASP 95 CO 0.00 -0.88 0.62 -0.89 0.21 0.00 0.00 175.17 174.22 1xpu s THR 96 N 1.64 4.87 0.08 -1.27 2.01 -1.26 -0.19 115.64 121.51 1xpu s THR 96 Ca 0.73 0.13 0.07 0.00 0.31 0.00 0.00 61.69 62.93 1xpu s THR 96 Cb -0.44 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 67.87 1xpu s THR 96 CO 0.32 -0.53 -0.12 -0.63 -0.69 0.00 0.00 174.62 172.97 1xpu s ILE 97 N 2.72 3.24 0.07 1.82 1.01 -0.10 -0.66 121.20 129.30 1xpu s ILE 97 Ca 0.22 -1.22 -0.08 0.00 0.00 0.00 0.00 60.65 59.56 1xpu s ILE 97 Cb -0.14 -2.48 -0.00 0.00 0.01 0.00 0.00 42.46 39.84 1xpu s ILE 97 CO 0.18 0.18 0.17 -0.94 0.00 0.00 0.00 174.94 174.53 1xpu s SER 98 N -1.97 0.13 0.00 3.58 1.04 -1.04 -1.28 113.70 114.16 1xpu s SER 98 Ca 0.19 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 56.02 1xpu s SER 98 Cb -0.11 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.32 1xpu s SER 98 CO 0.11 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.27 1xpu n GLY 99 N 0.17 -0.41 3.73 7.32 0.00 -0.60 -0.55 105.19 114.85 1xpu n GLY 99 Ca -0.16 -1.53 -0.42 0.00 0.00 0.00 0.00 46.02 43.91 1xpu n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xpu s LYS 100 N -1.97 4.16 0.25 1.61 1.02 -0.73 -1.47 119.74 122.61 1xpu s LYS 100 Ca 0.00 2.50 0.04 0.00 0.02 0.00 0.00 55.97 58.53 1xpu s LYS 100 Cb 0.00 -3.09 -0.05 0.00 -0.52 0.00 0.00 37.83 34.16 1xpu s LYS 100 CO 0.00 -0.66 -0.00 0.96 -0.92 0.00 0.00 175.35 174.73 1xpu s ILE 101 N 0.86 1.15 0.06 2.17 -4.36 0.13 -0.25 121.20 120.96 1xpu s ILE 101 Ca 0.70 -2.04 0.03 0.00 -0.26 0.00 0.00 60.65 59.08 1xpu s ILE 101 Cb -0.47 -2.44 -0.03 0.00 1.25 0.00 0.00 42.46 40.77 1xpu s ILE 101 CO 0.36 -0.26 -0.10 0.00 0.24 0.00 0.00 174.94 175.18 1xpu s ARG 102 N -3.85 0.67 0.68 0.37 1.04 -0.87 -4.16 118.95 112.84 1xpu s ARG 102 Ca 0.30 -0.91 -0.16 0.00 -1.04 0.00 0.00 55.73 53.93 1xpu s ARG 102 Cb 0.06 -0.45 0.01 0.00 -2.04 0.00 0.00 34.95 32.53 1xpu s ARG 102 CO 0.10 0.08 1.17 -2.14 -0.04 0.00 0.00 175.30 174.48 1xpu s PRO 103 N -1.96 2.53 0.19 3.89 0.02 -1.26 -2.35 135.00 136.06 1xpu s PRO 103 Ca -0.04 1.65 -0.32 0.00 0.02 0.00 0.00 61.00 62.31 1xpu s PRO 103 Cb -0.08 -1.89 -0.11 0.00 0.02 0.00 0.00 34.50 32.44 1xpu s PRO 103 CO 0.00 -1.51 1.65 -1.25 -0.33 0.00 0.00 177.00 175.56 1xpu s PRO 104 N -3.85 4.17 0.00 5.54 0.04 -1.25 -4.82 135.00 134.82 1xpu s PRO 104 Ca 0.72 2.50 0.00 0.00 0.04 0.00 0.00 61.00 64.26 1xpu s PRO 104 Cb -0.26 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.17 1xpu s PRO 104 CO 0.41 -0.68 0.00 1.63 0.04 0.00 0.00 177.00 178.40 1xpu n LYS 105 N 3.92 -0.33 -2.54 4.56 5.02 -1.26 -4.87 118.16 122.65 1xpu n LYS 105 Ca 0.15 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 56.01 1xpu n LYS 105 Cb 0.37 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.35 1xpu n LYS 105 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1xpu s GLU 106 N -2.56 4.32 0.00 1.97 8.01 -1.26 -2.40 118.70 126.78 1xpu s GLU 106 Ca 0.00 1.54 0.00 0.00 0.01 0.00 0.00 54.97 56.52 1xpu s GLU 106 Cb 0.00 -3.62 0.00 0.00 -4.31 0.00 0.00 34.13 26.20 1xpu s GLU 106 CO 0.00 -0.52 0.00 0.41 0.01 0.00 0.00 175.26 175.16 1xpu n GLY 107 N 3.36 0.17 3.76 -1.39 0.00 -1.26 -5.08 105.19 104.75 1xpu n GLY 107 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 1xpu n GLY 107 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xpu s GLU 108 N -0.90 2.73 0.00 1.61 2.02 -1.01 -5.05 118.70 118.10 1xpu s GLU 108 Ca 0.00 -1.07 0.00 0.00 0.02 0.00 0.00 54.97 53.92 1xpu s GLU 108 Cb 0.00 -2.49 0.00 0.00 0.10 0.00 0.00 34.13 31.74 1xpu s GLU 108 CO 0.00 0.43 0.00 0.54 0.02 0.00 0.00 175.26 176.25 1xpu n ARG 109 N -0.73 2.63 -4.42 1.61 1.74 -1.26 -4.67 116.66 111.56 1xpu n ARG 109 Ca -0.08 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.74 1xpu n ARG 109 Cb 0.57 -0.72 -0.11 0.00 -1.02 0.00 0.00 32.46 31.18 1xpu n ARG 109 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1xpu s TYR 110 N -1.20 2.22 0.55 -1.55 2.02 -1.26 -4.90 117.35 113.22 1xpu s TYR 110 Ca 0.00 -0.37 -0.20 0.00 -0.37 0.00 0.00 57.07 56.13 1xpu s TYR 110 Cb 0.00 -1.08 -0.05 0.00 -0.40 0.00 0.00 41.96 40.43 1xpu s TYR 110 CO 0.00 0.51 1.16 -0.06 -1.57 0.00 0.00 175.55 175.59 1xpu s PHE 111 N -1.88 2.60 -0.04 2.71 0.08 -1.26 -3.84 117.98 116.35 1xpu s PHE 111 Ca 0.21 1.53 0.06 0.00 0.12 0.00 0.00 56.93 58.85 1xpu s PHE 111 Cb -0.07 -3.37 -0.01 0.00 -0.57 0.00 0.00 43.02 39.00 1xpu s PHE 111 CO 0.10 -1.80 -0.21 0.00 -0.10 0.00 0.00 175.22 173.21 1xpu s ALA 112 N -1.68 1.81 -0.43 5.36 0.00 -0.99 -0.05 121.76 125.78 1xpu s ALA 112 Ca 0.73 -0.88 -0.27 0.00 0.00 0.00 0.00 51.96 51.54 1xpu s ALA 112 Cb -0.27 -0.53 -0.07 0.00 0.00 0.00 0.00 23.12 22.25 1xpu s ALA 112 CO 0.30 0.38 2.37 -0.11 0.00 0.00 0.00 175.76 178.70 1xpu n LEU 113 N 2.85 2.49 0.12 0.00 7.94 -0.19 -2.04 117.00 128.17 1xpu n LEU 113 Ca -0.17 -0.25 -0.23 0.00 -1.11 0.00 0.00 56.01 54.25 1xpu n LEU 113 Cb 0.52 -1.54 -0.14 0.00 0.53 0.00 0.00 43.42 42.79 1xpu n LEU 113 CO 0.24 -1.27 -0.14 0.25 -1.11 0.00 0.00 177.39 175.37 1xpu h LEU 114 N 17.82 0.86 -7.21 -1.96 5.85 -0.95 -3.46 115.31 126.25 1xpu h LEU 114 Ca -0.28 -0.85 -0.12 0.00 0.84 0.00 0.00 57.88 57.47 1xpu h LEU 114 Cb 1.27 -0.27 -0.27 0.00 0.37 0.00 0.00 40.66 41.75 1xpu h LEU 114 CO 1.11 1.65 -0.34 -0.75 -0.34 0.00 0.00 178.44 179.77 1xpu s LYS 115 N -2.82 0.35 -0.00 1.25 2.20 0.65 -4.97 119.74 116.40 1xpu s LYS 115 Ca -0.09 0.81 -0.30 0.00 -0.36 0.00 0.00 55.97 56.03 1xpu s LYS 115 Cb 0.05 0.03 -0.04 0.00 -1.51 0.00 0.00 37.83 36.36 1xpu s LYS 115 CO 0.94 -0.18 1.15 0.08 -0.36 0.00 0.00 175.35 176.97 1xpu s VAL 116 N 1.67 4.31 -0.08 4.02 1.01 -1.26 -1.78 120.40 128.28 1xpu s VAL 116 Ca -0.08 1.65 0.08 0.00 0.00 0.00 0.00 61.98 63.64 1xpu s VAL 116 Cb -0.09 -4.06 -0.12 0.00 0.00 0.00 0.00 36.38 32.11 1xpu s VAL 116 CO -0.12 0.08 0.06 0.59 0.00 0.00 0.00 175.10 175.70 1xpu n ASN 117 N 4.43 2.74 -3.67 3.32 4.13 0.29 -4.93 115.26 121.57 1xpu n ASN 117 Ca 0.09 0.00 -0.12 0.00 1.68 0.00 0.00 54.58 56.23 1xpu n ASN 117 Cb 0.47 0.82 -0.08 0.00 -1.54 0.00 0.00 39.78 39.45 1xpu n ASN 117 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1xpu s GLU 118 N -2.28 0.64 -0.23 3.52 2.12 -1.05 -4.44 118.70 116.98 1xpu s GLU 118 Ca -0.04 0.90 0.01 0.00 0.36 0.00 0.00 54.97 56.20 1xpu s GLU 118 Cb 0.03 0.23 0.06 0.00 0.26 0.00 0.00 34.13 34.71 1xpu s GLU 118 CO 0.38 -0.11 -0.07 0.08 -0.54 0.00 0.00 175.26 175.00 1xpu s VAL 119 N 0.78 1.63 -1.38 3.70 1.01 -0.07 -2.49 120.40 123.57 1xpu s VAL 119 Ca -0.04 -1.25 -0.07 0.00 0.00 0.00 0.00 61.98 60.63 1xpu s VAL 119 Cb -0.05 -1.85 0.03 0.00 0.00 0.00 0.00 36.38 34.52 1xpu s VAL 119 CO -0.06 -0.06 0.95 0.59 0.00 0.00 0.00 175.10 176.53 1xpu n ASN 120 N 4.64 -3.73 -1.21 3.32 3.02 0.16 -1.83 115.26 119.63 1xpu n ASN 120 Ca -0.13 -0.71 -0.16 0.00 -0.03 0.00 0.00 54.58 53.55 1xpu n ASN 120 Cb 0.44 -4.37 -0.07 0.00 -0.61 0.00 0.00 39.78 35.17 1xpu n ASN 120 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1xpu n PHE 121 N -4.56 0.00 -4.40 3.10 3.72 -1.26 -4.98 117.46 109.07 1xpu n PHE 121 Ca -0.11 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.05 1xpu n PHE 121 Cb 0.60 -2.87 -0.11 0.00 -0.94 0.00 0.00 39.48 36.16 1xpu n PHE 121 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1xpu s ASP 122 N -2.73 3.19 0.24 4.37 -1.08 -0.76 -5.11 116.67 114.78 1xpu s ASP 122 Ca 0.00 -0.92 -0.31 0.00 -0.52 0.00 0.00 52.55 50.81 1xpu s ASP 122 Cb 0.00 -0.23 -0.11 0.00 -1.46 0.00 0.00 42.92 41.12 1xpu s ASP 122 CO 0.00 0.03 1.57 -0.54 0.52 0.00 0.00 175.17 176.75 1xpu s LYS 123 N -2.99 4.18 0.57 4.34 1.02 -1.26 -0.89 119.74 124.70 1xpu s LYS 123 Ca 0.22 2.47 0.36 0.00 0.02 0.00 0.00 55.97 59.04 1xpu s LYS 123 Cb -0.06 -3.08 1.46 0.00 -0.52 0.00 0.00 37.83 35.63 1xpu s LYS 123 CO 0.10 -0.59 1.67 -1.35 -0.92 0.00 0.00 175.35 174.25 1xpu h PRO 124 N 5.59 0.00 -1.05 -1.68 0.11 -1.89 -0.18 132.00 132.90 1xpu h PRO 124 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1xpu h PRO 124 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1xpu h PRO 124 CO 0.84 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 179.02 1xpu n GLU 125 N -3.85 0.98 -3.90 1.05 -0.58 -1.26 -4.95 120.64 108.12 1xpu n GLU 125 Ca 0.26 0.00 -0.11 0.00 -0.42 0.00 0.00 57.16 56.90 1xpu n GLU 125 Cb 1.38 -1.01 -0.11 0.00 -0.57 0.00 0.00 31.44 31.13 1xpu n GLU 125 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 1xpu s ASN 126 N 1.03 0.07 0.00 1.62 0.01 -0.08 -5.24 114.94 112.34 1xpu s ASN 126 Ca 0.00 -0.19 0.00 0.00 -0.71 0.00 0.00 52.86 51.96 1xpu s ASN 126 Cb 0.00 0.15 0.00 0.00 0.41 0.00 0.00 41.25 41.81 1xpu s ASN 126 CO 0.00 -0.24 0.00 0.59 -1.51 0.00 0.00 177.10 175.94 1xpu n ASN 129 N 2.01 0.00 -4.65 -1.22 4.13 -1.26 -5.06 115.26 109.21 1xpu n ASN 129 Ca -0.20 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.64 1xpu n ASN 129 Cb 0.57 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.78 1xpu n ASN 129 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 1xpu s LYS 130 N 0.00 4.12 0.34 3.52 0.00 -1.26 -4.95 119.74 121.51 1xpu s LYS 130 Ca 0.00 1.95 -0.26 0.00 0.00 0.00 0.00 55.97 57.67 1xpu s LYS 130 Cb 0.00 -3.94 -0.14 0.00 0.00 0.00 0.00 37.83 33.75 1xpu s LYS 130 CO 0.00 -0.90 0.78 0.44 0.00 0.00 0.00 175.35 175.67 1xpu n ILE 131 N 5.64 1.97 0.09 3.79 -5.35 -1.26 -4.77 119.36 119.48 1xpu n ILE 131 Ca 0.17 -0.50 0.18 0.00 -0.27 0.00 0.00 62.75 62.33 1xpu n ILE 131 Cb 0.44 -0.71 0.55 0.00 -1.74 0.00 0.00 39.64 38.17 1xpu n ILE 131 CO 0.00 0.00 0.00 0.25 -1.76 0.00 0.00 176.55 175.04 1xpu h LEU 132 N 1.38 0.00 -1.17 7.28 6.46 -1.93 0.13 115.31 127.46 1xpu h LEU 132 Ca -0.39 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.37 1xpu h LEU 132 Cb 1.37 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.30 1xpu h LEU 132 CO 0.56 0.00 0.03 0.49 -0.62 0.00 0.00 178.44 178.90 1xpu n PHE 133 N -3.20 0.60 -2.43 1.25 3.72 -1.26 -3.05 117.46 113.08 1xpu n PHE 133 Ca 0.09 0.31 0.02 0.00 -0.05 0.00 0.00 57.45 57.82 1xpu n PHE 133 Cb 0.90 -0.98 0.01 0.00 -0.94 0.00 0.00 39.48 38.46 1xpu n PHE 133 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1xpu n GLU 134 N -2.12 0.11 -3.09 -1.08 0.28 0.46 -5.08 120.64 110.12 1xpu n GLU 134 Ca -0.01 -1.89 -0.39 0.00 -0.16 0.00 0.00 57.16 54.70 1xpu n GLU 134 Cb 0.05 0.01 -0.06 0.00 1.43 0.00 0.00 31.44 32.87 1xpu n GLU 134 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1xpu s ASN 135 N -1.91 7.23 0.43 -1.84 -0.87 -1.17 -4.98 114.94 111.83 1xpu s ASN 135 Ca 0.27 1.46 -0.24 0.00 -1.57 0.00 0.00 52.86 52.78 1xpu s ASN 135 Cb 0.32 -2.44 -0.08 0.00 -0.02 0.00 0.00 41.25 39.03 1xpu s ASN 135 CO -0.13 0.19 1.14 -0.76 -2.57 0.00 0.00 177.10 174.97 1xpu s LEU 136 N -0.90 4.10 -0.40 0.60 1.43 -1.26 -4.97 118.68 117.28 1xpu s LEU 136 Ca 0.34 2.25 0.03 0.00 -1.03 0.00 0.00 54.13 55.72 1xpu s LEU 136 Cb -0.21 -4.16 0.11 0.00 0.03 0.00 0.00 46.19 41.96 1xpu s LEU 136 CO 0.23 -0.74 0.14 0.42 0.23 0.00 0.00 176.35 176.63 1xpu s THR 137 N -1.53 2.05 0.90 5.49 -4.23 -1.26 -2.05 115.64 115.01 1xpu s THR 137 Ca 0.60 -2.51 -0.11 0.00 -1.18 0.00 0.00 61.69 58.50 1xpu s THR 137 Cb -0.28 -2.48 0.13 0.00 1.34 0.00 0.00 72.50 71.22 1xpu s THR 137 CO 0.34 -0.70 1.11 -2.84 -0.54 0.00 0.00 174.62 171.99 1xpu s PRO 138 N 0.60 1.18 0.60 3.99 0.02 -1.20 -4.91 135.00 135.28 1xpu s PRO 138 Ca 0.13 1.28 0.29 0.00 0.02 0.00 0.00 61.00 62.72 1xpu s PRO 138 Cb -0.21 -1.77 1.55 0.00 0.02 0.00 0.00 34.50 34.09 1xpu s PRO 138 CO -0.07 -2.43 1.96 -0.07 -0.33 0.00 0.00 177.00 176.05 1xpu h LEU 139 N -1.71 0.00 0.00 -5.54 3.38 -1.99 -3.34 115.31 106.11 1xpu h LEU 139 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.51 1xpu h LEU 139 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1xpu h LEU 139 CO 0.47 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.00 1xpu n HIS 140 N -3.64 0.00 0.53 1.13 1.44 -1.26 -4.71 115.22 108.72 1xpu n HIS 140 Ca 0.05 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.89 1xpu n HIS 140 Cb 0.54 0.00 0.41 0.00 0.12 0.00 0.00 29.99 31.06 1xpu n HIS 140 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1xpu h ALA 141 N 0.00 1.00 -0.78 1.59 0.00 -1.87 -3.17 119.26 116.03 1xpu h ALA 141 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 54.91 55.07 1xpu h ALA 141 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.64 1xpu h ALA 141 CO 0.00 0.00 -0.19 -2.95 0.00 0.00 0.00 179.25 176.11 1xpu h ASN 142 N 0.00 -0.72 -3.20 0.00 7.08 -1.93 -3.07 115.58 113.73 1xpu h ASN 142 Ca 0.00 0.23 -0.67 0.00 -3.08 0.00 0.00 56.30 52.78 1xpu h ASN 142 Cb 0.68 0.48 -0.33 0.00 -2.08 0.00 0.00 38.32 37.08 1xpu h ASN 142 CO 0.00 -0.26 -0.84 -0.55 -2.08 0.00 0.00 177.43 173.70 1xpu s SER 143 N -5.24 3.34 0.55 6.14 0.15 -1.26 -4.78 113.70 112.60 1xpu s SER 143 Ca -0.15 -0.56 -0.04 0.00 0.70 0.00 0.00 55.95 55.90 1xpu s SER 143 Cb 0.22 -1.50 0.00 0.00 -1.71 0.00 0.00 66.02 63.03 1xpu s SER 143 CO 0.75 0.06 0.84 -0.60 1.20 0.00 0.00 173.24 175.49 1xpu s ARG 144 N 0.96 2.98 -0.34 5.44 3.52 -1.26 -2.27 118.95 127.97 1xpu s ARG 144 Ca -0.03 -0.13 0.00 0.00 -0.13 0.00 0.00 55.73 55.45 1xpu s ARG 144 Cb -0.15 -2.35 0.11 0.00 -1.56 0.00 0.00 34.95 31.00 1xpu s ARG 144 CO -0.04 -0.57 0.13 -0.51 -0.81 0.00 0.00 175.30 173.50 1xpu s LEU 145 N -4.87 2.51 0.60 -0.88 1.43 -0.95 -4.86 118.68 111.67 1xpu s LEU 145 Ca 0.52 -1.91 -0.14 0.00 -1.03 0.00 0.00 54.13 51.57 1xpu s LEU 145 Cb -0.10 -0.95 -0.04 0.00 0.03 0.00 0.00 46.19 45.13 1xpu s LEU 145 CO 0.43 -0.38 1.04 -0.13 0.23 0.00 0.00 176.35 177.54 1xpu s ARG 146 N 1.27 3.39 -0.41 1.70 0.52 -1.26 -4.46 118.95 119.69 1xpu s ARG 146 Ca 0.12 1.04 0.02 0.00 -0.52 0.00 0.00 55.73 56.39 1xpu s ARG 146 Cb -0.19 -2.05 0.13 0.00 0.52 0.00 0.00 34.95 33.36 1xpu s ARG 146 CO -0.17 -0.74 0.21 -1.64 0.02 0.00 0.00 175.30 172.98 1xpu s MET 147 N -4.43 1.19 -0.11 3.54 -1.94 -1.26 -4.88 119.30 111.42 1xpu s MET 147 Ca 0.60 -1.85 -0.07 0.00 -1.71 0.00 0.00 55.69 52.66 1xpu s MET 147 Cb -0.14 -2.30 0.04 0.00 2.01 0.00 0.00 34.83 34.44 1xpu s MET 147 CO 0.42 -1.13 0.27 0.20 -0.01 0.00 0.00 175.02 174.78 1xpu s GLY 152 N 0.58 -0.19 0.00 -0.03 0.00 -1.26 -4.68 107.32 101.75 1xpu s GLY 152 Ca 0.16 0.96 0.00 0.00 0.00 0.00 0.00 44.72 45.84 1xpu s GLY 152 CO -0.04 1.05 0.00 -1.14 0.00 0.00 0.00 173.10 172.98 1xpu n SER 153 N 3.69 0.11 -0.07 1.64 3.41 -1.26 -5.01 113.62 116.14 1xpu n SER 153 Ca -0.20 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.32 1xpu n SER 153 Cb 0.55 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.35 1xpu n SER 153 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1xpu n THR 154 N 0.00 1.45 0.04 6.66 -2.24 -1.26 -4.16 114.28 114.77 1xpu n THR 154 Ca 0.00 -0.83 -0.05 0.00 -2.27 0.00 0.00 64.05 60.91 1xpu n THR 154 Cb 0.00 -0.68 0.16 0.00 -2.10 0.00 0.00 70.33 67.71 1xpu n THR 154 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1xpu h GLU 155 N 0.00 0.41 -0.52 -0.78 4.39 -2.05 -2.88 114.58 113.15 1xpu h GLU 155 Ca -0.43 -0.20 0.00 0.00 0.34 0.00 0.00 59.36 59.07 1xpu h GLU 155 Cb 2.13 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.78 1xpu h GLU 155 CO 0.05 0.74 0.00 -3.47 -1.16 0.00 0.00 179.01 175.17 1xpu n ASP 156 N -4.03 0.52 0.11 1.42 -0.08 -1.26 -3.66 116.55 109.58 1xpu n ASP 156 Ca -0.01 -1.46 -0.09 0.00 -1.51 0.00 0.00 54.79 51.71 1xpu n ASP 156 Cb 0.49 -0.26 -0.06 0.00 2.34 0.00 0.00 41.12 43.64 1xpu n ASP 156 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 1xpu h LEU 157 N 0.19 -0.31 -0.01 -2.67 3.38 -1.71 -2.99 115.31 111.20 1xpu h LEU 157 Ca 0.00 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1xpu h LEU 157 Cb 0.26 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1xpu h LEU 157 CO 0.00 0.19 0.00 0.74 0.09 0.00 0.00 178.44 179.46 1xpu h THR 158 N -0.99 1.03 -0.26 0.22 2.02 -1.82 -2.74 112.91 110.37 1xpu h THR 158 Ca -0.04 -0.08 0.08 0.00 0.77 0.00 0.00 66.41 67.14 1xpu h THR 158 Cb 0.46 1.07 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 1xpu h THR 158 CO 0.06 0.02 0.21 0.00 0.37 0.00 0.00 175.52 176.18 1xpu h ALA 159 N 0.97 2.14 0.11 6.16 0.00 -1.75 0.29 119.26 127.18 1xpu h ALA 159 Ca 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1xpu h ALA 159 Cb 0.03 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1xpu h ALA 159 CO -0.00 -0.34 -0.06 -0.09 0.00 0.00 0.00 179.25 178.76 1xpu h ARG 160 N 0.00 -0.15 0.00 0.00 2.43 -1.33 -1.76 114.38 113.56 1xpu h ARG 160 Ca 0.12 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 1xpu h ARG 160 Cb 0.54 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1xpu h ARG 160 CO -0.00 0.34 -0.12 0.28 -1.51 0.00 0.00 179.97 178.96 1xpu h VAL 161 N -0.78 0.90 -0.19 0.20 2.07 -1.15 -2.63 116.25 114.66 1xpu h VAL 161 Ca -0.02 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 1xpu h VAL 161 Cb 0.56 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.57 1xpu h VAL 161 CO 0.03 0.12 -0.05 0.25 0.02 0.00 0.00 177.57 177.93 1xpu h LEU 162 N 0.00 0.37 -1.31 2.57 5.85 -0.40 -0.45 115.31 121.94 1xpu h LEU 162 Ca -0.00 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.32 1xpu h LEU 162 Cb 0.24 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 1xpu h LEU 162 CO 0.02 0.66 -0.11 0.44 -0.34 0.00 0.00 178.44 179.10 1xpu h ASP 163 N 0.08 0.00 0.20 1.25 3.32 -1.07 -0.49 116.42 119.70 1xpu h ASP 163 Ca 0.05 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.75 1xpu h ASP 163 Cb 0.50 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.06 1xpu h ASP 163 CO 0.02 0.11 -1.68 -0.07 -1.72 0.00 0.00 179.24 175.89 1xpu h LEU 164 N 0.00 0.66 0.02 1.55 3.38 -1.38 -3.31 115.31 116.24 1xpu h LEU 164 Ca -0.00 -0.93 -0.00 0.00 0.09 0.00 0.00 57.88 57.03 1xpu h LEU 164 Cb 0.62 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.15 1xpu h LEU 164 CO 0.01 1.77 -0.01 0.00 0.09 0.00 0.00 178.44 180.30 1xpu h ALA 165 N 0.11 -0.03 -2.46 1.53 0.00 -0.99 -3.43 119.26 114.00 1xpu h ALA 165 Ca -0.33 -0.37 -0.59 0.00 0.00 0.00 0.00 54.91 53.62 1xpu h ALA 165 Cb 2.10 0.01 -0.38 0.00 0.00 0.00 0.00 17.79 19.52 1xpu h ALA 165 CO 0.20 -0.09 -0.93 -1.54 0.00 0.00 0.00 179.25 176.89 1xpu s SER 166 N -5.96 1.92 -0.18 0.00 1.04 -0.20 -3.57 113.70 106.75 1xpu s SER 166 Ca -0.16 -2.97 -0.38 0.00 0.48 0.00 0.00 55.95 52.92 1xpu s SER 166 Cb -0.01 -0.52 -0.15 0.00 0.10 0.00 0.00 66.02 65.44 1xpu s SER 166 CO 0.60 -0.19 1.70 -2.65 0.98 0.00 0.00 173.24 173.68 1xpu n PRO 167 N 2.99 1.36 -3.24 4.02 -0.02 -1.25 -4.63 135.00 134.24 1xpu n PRO 167 Ca 0.26 0.50 -0.33 0.00 -2.02 0.00 0.00 63.50 61.91 1xpu n PRO 167 Cb 0.45 -2.21 -0.06 0.00 -0.02 0.00 0.00 33.50 31.67 1xpu n PRO 167 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1xpu s ILE 168 N 3.08 4.76 0.34 4.25 -1.09 -1.26 -4.84 121.20 126.43 1xpu s ILE 168 Ca 0.95 0.84 0.04 0.00 -2.23 0.00 0.00 60.65 60.25 1xpu s ILE 168 Cb -0.98 -3.66 -0.06 0.00 -1.58 0.00 0.00 42.46 36.18 1xpu s ILE 168 CO 0.59 -0.05 0.06 -0.83 -1.23 0.00 0.00 174.94 173.48 1xpu s GLY 169 N -2.16 2.15 -0.96 6.18 0.00 -1.26 -2.24 107.32 109.04 1xpu s GLY 169 Ca 0.49 -2.03 -0.24 0.00 0.00 0.00 0.00 44.72 42.94 1xpu s GLY 169 CO 0.19 -1.85 1.67 0.50 0.00 0.00 0.00 173.10 173.61 1xpu s ARG 170 N -3.87 3.12 0.00 2.90 0.52 -0.96 -3.06 118.95 117.60 1xpu s ARG 170 Ca 0.35 -0.71 0.00 0.00 -0.52 0.00 0.00 55.73 54.85 1xpu s ARG 170 Cb 0.09 -5.19 0.00 0.00 0.52 0.00 0.00 34.95 30.37 1xpu s ARG 170 CO 0.16 -2.72 0.00 0.41 0.02 0.00 0.00 175.30 173.17 1xpu n GLY 171 N 6.82 1.93 3.73 -3.53 0.00 -1.26 -3.93 105.19 108.95 1xpu n GLY 171 Ca 0.35 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.96 1xpu n GLY 171 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xpu s GLN 172 N -0.35 4.73 -0.87 1.61 -0.21 -1.17 -2.60 119.66 120.80 1xpu s GLN 172 Ca 0.00 1.48 -0.20 0.00 0.02 0.00 0.00 55.36 56.66 1xpu s GLN 172 Cb 0.00 -3.35 0.11 0.00 1.00 0.00 0.00 33.01 30.77 1xpu s GLN 172 CO 0.00 0.28 1.12 0.50 -2.12 0.00 0.00 175.29 175.07 1xpu s ARG 173 N -0.32 3.48 -0.20 2.91 3.52 -1.26 -1.14 118.95 125.95 1xpu s ARG 173 Ca 0.46 -1.49 -0.07 0.00 -0.13 0.00 0.00 55.73 54.50 1xpu s ARG 173 Cb -0.24 -4.80 -0.03 0.00 -1.56 0.00 0.00 34.95 28.32 1xpu s ARG 173 CO 0.31 -1.82 0.04 0.20 -0.81 0.00 0.00 175.30 173.22 1xpu s GLY 174 N 3.77 1.82 -0.19 8.12 0.00 -0.35 -0.59 107.32 119.90 1xpu s GLY 174 Ca 0.31 -0.88 -0.05 0.00 0.00 0.00 0.00 44.72 44.10 1xpu s GLY 174 CO -0.05 0.18 -0.01 -2.27 0.00 0.00 0.00 173.10 170.95 1xpu s LEU 175 N 0.77 3.22 -0.46 0.66 2.96 0.97 -0.24 118.68 126.56 1xpu s LEU 175 Ca 0.02 -0.20 -0.10 0.00 -0.22 0.00 0.00 54.13 53.63 1xpu s LEU 175 Cb -0.14 -1.81 0.10 0.00 0.50 0.00 0.00 46.19 44.85 1xpu s LEU 175 CO 0.02 0.08 0.33 -0.63 -1.32 0.00 0.00 176.35 174.83 1xpu s ILE 176 N 0.89 4.38 0.15 6.68 -1.09 0.78 -0.72 121.20 132.26 1xpu s ILE 176 Ca 0.00 -1.56 -0.30 0.00 -2.23 0.00 0.00 60.65 56.56 1xpu s ILE 176 Cb -0.14 -3.78 -0.07 0.00 -1.58 0.00 0.00 42.46 36.89 1xpu s ILE 176 CO 0.02 -0.67 1.00 -0.69 -1.23 0.00 0.00 174.94 173.37 1xpu s VAL 177 N 1.43 4.26 -0.22 2.92 1.01 0.61 0.39 120.40 130.80 1xpu s VAL 177 Ca 0.04 1.95 -0.12 0.00 0.00 0.00 0.00 61.98 63.85 1xpu s VAL 177 Cb -0.25 -4.24 0.07 0.00 0.00 0.00 0.00 36.38 31.95 1xpu s VAL 177 CO 0.01 0.33 0.54 0.00 0.00 0.00 0.00 175.10 175.98 1xpu s ALA 178 N -0.24 -1.43 0.55 5.51 0.00 -0.79 -1.16 121.76 124.20 1xpu s ALA 178 Ca 0.47 1.94 -0.06 0.00 0.00 0.00 0.00 51.96 54.30 1xpu s ALA 178 Cb -0.25 -1.18 -0.02 0.00 0.00 0.00 0.00 23.12 21.68 1xpu s ALA 178 CO 0.32 -0.34 0.87 -1.25 0.00 0.00 0.00 175.76 175.36 1xpu s PRO 179 N 1.57 3.26 0.36 0.00 0.04 -1.26 -2.17 135.00 136.79 1xpu s PRO 179 Ca -0.09 0.18 -0.28 0.00 0.04 0.00 0.00 61.00 60.85 1xpu s PRO 179 Cb -0.07 -2.28 -0.12 0.00 0.04 0.00 0.00 34.50 32.07 1xpu s PRO 179 CO -0.16 -0.49 1.31 -2.30 0.04 0.00 0.00 177.00 175.40 1xpu n PRO 180 N -2.48 2.16 -2.91 0.56 -0.02 -1.26 -4.00 135.00 127.04 1xpu n PRO 180 Ca 0.03 0.76 -0.10 0.00 -2.02 0.00 0.00 63.50 62.16 1xpu n PRO 180 Cb 0.56 -2.38 0.01 0.00 -0.02 0.00 0.00 33.50 31.68 1xpu n PRO 180 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1xpu n LYS 181 N 0.45 -2.44 0.00 -0.52 5.02 -1.26 -4.98 118.16 114.42 1xpu n LYS 181 Ca 0.05 2.11 0.00 0.00 -2.02 0.00 0.00 58.31 58.45 1xpu n LYS 181 Cb 0.37 -5.15 0.00 0.00 -0.02 0.00 0.00 35.03 30.23 1xpu n LYS 181 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1xpu n ALA 182 N -0.13 0.69 -0.45 7.82 0.00 -1.26 -4.54 120.51 122.65 1xpu n ALA 182 Ca 0.08 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1xpu n ALA 182 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1xpu n ALA 182 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xpu n GLY 183 N 0.00 0.77 0.28 0.00 0.00 -1.26 -4.16 105.19 100.82 1xpu n GLY 183 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1xpu n GLY 183 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1xpu h LYS 184 N 2.79 0.04 0.45 1.61 3.64 -1.94 1.09 116.57 124.25 1xpu h LYS 184 Ca 0.00 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 1xpu h LYS 184 Cb 0.00 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1xpu h LYS 184 CO 0.00 0.02 -0.22 1.15 -2.27 0.00 0.00 179.45 178.14 1xpu h THR 185 N 0.04 0.34 0.00 1.00 2.02 -2.00 -2.93 112.91 111.38 1xpu h THR 185 Ca 0.39 -0.54 -0.02 0.00 0.77 0.00 0.00 66.41 67.00 1xpu h THR 185 Cb 0.64 0.51 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 1xpu h THR 185 CO -0.74 0.06 -0.11 0.24 0.37 0.00 0.00 175.52 175.34 1xpu h MET 186 N -1.01 0.00 -0.34 6.66 2.86 -1.80 0.65 114.93 121.95 1xpu h MET 186 Ca -0.06 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.51 1xpu h MET 186 Cb 0.57 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 1xpu h MET 186 CO 0.10 0.11 -0.06 1.25 1.06 0.00 0.00 176.91 179.37 1xpu h LEU 187 N 0.00 0.64 -0.46 1.22 5.85 0.11 0.14 115.31 122.81 1xpu h LEU 187 Ca -0.00 -0.35 -0.11 0.00 0.84 0.00 0.00 57.88 58.26 1xpu h LEU 187 Cb 0.24 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1xpu h LEU 187 CO 0.01 0.84 -0.14 -0.07 -0.34 0.00 0.00 178.44 178.75 1xpu h LEU 188 N 0.43 0.92 -1.39 2.25 3.38 -1.11 -1.25 115.31 118.53 1xpu h LEU 188 Ca 0.09 -0.37 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 1xpu h LEU 188 Cb 0.55 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1xpu h LEU 188 CO 0.03 1.09 -0.28 1.56 0.09 0.00 0.00 178.44 180.93 1xpu h GLN 189 N 0.75 0.00 -0.19 1.13 4.20 -0.87 0.17 115.11 120.30 1xpu h GLN 189 Ca 0.11 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.74 1xpu h GLN 189 Cb 0.70 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.47 1xpu h GLN 189 CO 0.05 0.28 -0.20 -0.97 -0.67 0.00 0.00 178.83 177.32 1xpu h ASN 190 N 0.00 0.51 -0.15 1.46 -0.73 -0.46 -2.23 115.58 113.97 1xpu h ASN 190 Ca -0.00 -0.48 -0.02 0.00 1.87 0.00 0.00 56.30 57.66 1xpu h ASN 190 Cb 0.61 -0.14 -0.01 0.00 0.27 0.00 0.00 38.32 39.05 1xpu h ASN 190 CO 0.04 0.89 0.01 0.40 -0.37 0.00 0.00 177.43 178.39 1xpu h ILE 191 N 0.14 1.24 0.00 2.57 2.04 -0.87 -0.83 117.51 121.80 1xpu h ILE 191 Ca 0.03 -0.80 -0.00 0.00 1.00 0.00 0.00 64.86 65.09 1xpu h ILE 191 Cb 0.75 1.48 -0.00 0.00 -0.74 0.00 0.00 36.82 38.31 1xpu h ILE 191 CO 0.05 0.24 -0.02 0.00 0.00 0.00 0.00 178.15 178.41 1xpu h ALA 192 N 0.78 1.89 0.02 1.87 0.00 -0.76 0.32 119.26 123.38 1xpu h ALA 192 Ca 0.04 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.69 1xpu h ALA 192 Cb 0.35 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1xpu h ALA 192 CO 0.01 0.03 -1.00 0.37 0.00 0.00 0.00 179.25 178.66 1xpu h GLN 193 N 0.00 0.42 0.00 0.00 4.15 -1.21 -3.12 115.11 115.35 1xpu h GLN 193 Ca -0.00 -0.48 0.00 0.00 0.77 0.00 0.00 58.65 58.94 1xpu h GLN 193 Cb 0.04 0.14 0.00 0.00 0.21 0.00 0.00 27.48 27.88 1xpu h GLN 193 CO 0.00 1.14 0.00 0.77 -1.93 0.00 0.00 178.83 178.82 1xpu h SER 194 N 0.22 0.00 0.20 -0.69 0.02 0.27 -2.83 113.55 110.74 1xpu h SER 194 Ca -0.09 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1xpu h SER 194 Cb 1.65 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.19 1xpu h SER 194 CO 0.17 0.00 -0.10 0.40 -1.14 0.00 0.00 176.83 176.17 1xpu h ILE 195 N 0.00 0.36 0.00 3.27 2.04 -0.44 -2.78 117.51 119.96 1xpu h ILE 195 Ca 0.00 -0.97 -0.08 0.00 1.00 0.00 0.00 64.86 64.81 1xpu h ILE 195 Cb 0.81 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1xpu h ILE 195 CO 0.00 0.10 -0.37 0.00 0.00 0.00 0.00 178.15 177.88 1xpu h ALA 196 N -0.79 1.26 -0.06 1.87 0.00 -1.65 0.48 119.26 120.36 1xpu h ALA 196 Ca -0.03 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 54.43 1xpu h ALA 196 Cb 0.38 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.11 1xpu h ALA 196 CO 0.05 0.46 -0.40 -0.92 0.00 0.00 0.00 179.25 178.44 1xpu h TYR 197 N 0.00 0.51 0.00 0.00 3.20 -1.63 -3.31 116.97 115.74 1xpu h TYR 197 Ca -0.00 -0.24 -0.35 0.00 3.14 0.00 0.00 58.73 61.28 1xpu h TYR 197 Cb 0.71 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.85 1xpu h TYR 197 CO 0.00 1.00 -2.20 0.09 -1.64 0.00 0.00 178.16 175.41 1xpu n ASN 198 N -4.36 0.43 -3.53 -2.11 5.03 -1.05 -4.75 115.26 104.93 1xpu n ASN 198 Ca -0.09 0.11 -0.27 0.00 0.87 0.00 0.00 54.58 55.20 1xpu n ASN 198 Cb 0.55 0.56 -0.10 0.00 -1.02 0.00 0.00 39.78 39.77 1xpu n ASN 198 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 1xpu n HIS 199 N -2.89 1.08 0.90 3.10 8.25 0.17 -4.91 115.22 120.92 1xpu n HIS 199 Ca -0.30 -3.78 0.13 0.00 -0.26 0.00 0.00 57.72 53.52 1xpu n HIS 199 Cb 1.12 -0.22 0.56 0.00 1.12 0.00 0.00 29.99 32.57 1xpu n HIS 199 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1xpu n PRO 200 N 2.08 0.03 0.00 -0.41 -0.04 -1.25 -3.09 135.00 132.33 1xpu n PRO 200 Ca 0.25 0.06 0.11 0.00 -0.04 0.00 0.00 63.50 63.88 1xpu n PRO 200 Cb 0.44 -1.53 0.57 0.00 -0.04 0.00 0.00 33.50 32.94 1xpu n PRO 200 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1xpu n ASP 201 N -1.58 0.00 -4.83 3.54 5.75 -1.26 -4.79 116.55 113.38 1xpu n ASP 201 Ca 0.06 -0.13 -0.32 0.00 -0.01 0.00 0.00 54.79 54.40 1xpu n ASP 201 Cb 0.33 -0.24 -0.06 0.00 -1.03 0.00 0.00 41.12 40.12 1xpu n ASP 201 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1xpu s VAL 203 N -1.37 4.40 -0.13 0.00 1.01 -0.60 -4.95 120.40 118.77 1xpu s VAL 203 Ca 0.29 -0.31 -0.21 0.00 0.00 0.00 0.00 61.98 61.75 1xpu s VAL 203 Cb -0.12 -4.63 -0.03 0.00 0.00 0.00 0.00 36.38 31.60 1xpu s VAL 203 CO 0.21 -1.34 0.63 -0.22 0.00 0.00 0.00 175.10 174.38 1xpu s LEU 204 N 3.87 4.24 -0.08 3.92 2.96 -1.26 -1.07 118.68 131.27 1xpu s LEU 204 Ca 0.22 0.98 0.01 0.00 -0.22 0.00 0.00 54.13 55.12 1xpu s LEU 204 Cb -0.17 -2.93 0.02 0.00 0.50 0.00 0.00 46.19 43.61 1xpu s LEU 204 CO 0.11 -0.15 -0.07 -0.04 -1.32 0.00 0.00 176.35 174.89 1xpu s MET 205 N 1.17 1.26 -0.26 1.98 -1.94 0.29 -2.18 119.30 119.61 1xpu s MET 205 Ca 0.32 -0.20 -0.08 0.00 -1.71 0.00 0.00 55.69 54.01 1xpu s MET 205 Cb -0.16 -1.25 -0.03 0.00 2.01 0.00 0.00 34.83 35.40 1xpu s MET 205 CO 0.13 -0.14 0.10 0.08 -0.01 0.00 0.00 175.02 175.18 1xpu s VAL 206 N 1.25 4.44 -0.35 -6.03 1.01 -0.69 -0.41 120.40 119.62 1xpu s VAL 206 Ca -0.05 -0.20 -0.09 0.00 0.00 0.00 0.00 61.98 61.64 1xpu s VAL 206 Cb -0.14 -3.12 0.03 0.00 0.00 0.00 0.00 36.38 33.15 1xpu s VAL 206 CO -0.02 0.27 0.16 -0.22 0.00 0.00 0.00 175.10 175.29 1xpu s LEU 207 N 1.62 4.48 -0.29 3.92 2.96 -0.05 -1.29 118.68 130.03 1xpu s LEU 207 Ca 0.06 -1.01 -0.07 0.00 -0.22 0.00 0.00 54.13 52.89 1xpu s LEU 207 Cb -0.16 -1.95 0.01 0.00 0.50 0.00 0.00 46.19 44.59 1xpu s LEU 207 CO 0.05 -0.34 0.08 -0.76 -1.32 0.00 0.00 176.35 174.05 1xpu s LEU 208 N 1.49 3.82 -0.14 -0.68 1.43 -0.64 0.53 118.68 124.49 1xpu s LEU 208 Ca 0.01 -0.71 -0.04 0.00 -1.03 0.00 0.00 54.13 52.36 1xpu s LEU 208 Cb -0.19 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.12 1xpu s LEU 208 CO 0.05 -0.19 -0.01 -0.63 0.23 0.00 0.00 176.35 175.80 1xpu s ILE 209 N 1.50 4.17 -1.18 -0.59 1.09 -1.26 -0.62 121.20 124.30 1xpu s ILE 209 Ca 0.03 -0.27 -0.06 0.00 -1.10 0.00 0.00 60.65 59.25 1xpu s ILE 209 Cb -0.17 -2.82 0.01 0.00 -1.06 0.00 0.00 42.46 38.42 1xpu s ILE 209 CO 0.02 0.52 0.73 -0.67 -0.10 0.00 0.00 174.94 175.44 1xpu n ASP 210 N 3.15 -5.42 -4.95 3.58 -0.08 -0.25 -4.79 116.55 107.79 1xpu n ASP 210 Ca -0.17 -0.33 -0.19 0.00 -1.51 0.00 0.00 54.79 52.58 1xpu n ASP 210 Cb 0.53 -4.14 -0.01 0.00 2.34 0.00 0.00 41.12 39.83 1xpu n ASP 210 CO 0.00 0.00 0.00 -1.61 0.12 0.00 0.00 177.20 175.71 1xpu s GLU 211 N -5.77 2.79 0.06 -0.67 0.41 -1.04 -4.34 118.70 110.14 1xpu s GLU 211 Ca 0.36 -1.29 -0.26 0.00 -0.41 0.00 0.00 54.97 53.37 1xpu s GLU 211 Cb -0.16 -2.63 -0.06 0.00 -1.78 0.00 0.00 34.13 29.51 1xpu s GLU 211 CO 0.45 -0.14 0.80 1.03 -0.49 0.00 0.00 175.26 176.91 1xpu s ARG 212 N -4.21 4.54 0.52 1.61 0.52 -1.26 -1.06 118.95 119.60 1xpu s ARG 212 Ca 0.49 1.14 0.33 0.00 -0.52 0.00 0.00 55.73 57.17 1xpu s ARG 212 Cb -0.07 -3.36 1.47 0.00 0.52 0.00 0.00 34.95 33.50 1xpu s ARG 212 CO 0.30 0.27 1.81 -1.35 0.02 0.00 0.00 175.30 176.35 1xpu h PRO 213 N 5.63 0.07 -0.10 3.54 0.11 -1.98 0.56 132.00 139.83 1xpu h PRO 213 Ca -0.44 -0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.50 1xpu h PRO 213 Cb 1.21 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 32.31 1xpu h PRO 213 CO 0.71 0.05 -0.61 1.05 -0.21 0.00 0.00 178.00 178.98 1xpu h GLU 214 N 0.07 0.59 -0.09 1.05 9.09 -1.98 -0.89 114.58 122.41 1xpu h GLU 214 Ca 0.56 -0.50 -0.06 0.00 0.05 0.00 0.00 59.36 59.41 1xpu h GLU 214 Cb 2.08 0.11 -0.01 0.00 -1.65 0.00 0.00 28.75 29.28 1xpu h GLU 214 CO -0.06 1.12 -0.23 0.93 0.05 0.00 0.00 179.01 180.82 1xpu h GLU 215 N 0.21 0.16 0.00 1.06 5.08 -1.37 0.04 114.58 119.76 1xpu h GLU 215 Ca -0.05 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1xpu h GLU 215 Cb 1.26 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1xpu h GLU 215 CO 0.13 0.39 -0.00 0.28 -1.00 0.00 0.00 179.01 178.80 1xpu h VAL 216 N 0.14 1.28 -0.14 3.13 2.07 -1.03 -1.95 116.25 119.75 1xpu h VAL 216 Ca 0.02 -0.84 -0.12 0.00 0.82 0.00 0.00 66.70 66.59 1xpu h VAL 216 Cb 0.50 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 1xpu h VAL 216 CO 0.03 0.22 -0.43 0.71 0.02 0.00 0.00 177.57 178.12 1xpu h THR 217 N -0.36 1.32 -0.16 2.57 1.35 -0.97 0.35 112.91 117.01 1xpu h THR 217 Ca -0.00 -1.59 -0.11 0.00 -0.55 0.00 0.00 66.41 64.16 1xpu h THR 217 Cb 0.36 1.68 -0.01 0.00 -1.73 0.00 0.00 68.15 68.45 1xpu h THR 217 CO 0.00 0.48 -0.36 -0.33 -0.25 0.00 0.00 175.52 175.06 1xpu h GLU 218 N 0.28 0.34 -0.13 4.72 4.39 -1.05 -0.47 114.58 122.66 1xpu h GLU 218 Ca 0.02 -0.15 -0.15 0.00 0.34 0.00 0.00 59.36 59.43 1xpu h GLU 218 Cb 0.88 -0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.52 1xpu h GLU 218 CO 0.07 0.66 -0.49 1.98 -1.16 0.00 0.00 179.01 180.07 1xpu h MET 219 N 0.29 0.56 0.00 2.33 4.05 -0.94 -2.71 114.93 118.50 1xpu h MET 219 Ca 0.03 -0.43 -0.00 0.00 -0.28 0.00 0.00 59.70 59.02 1xpu h MET 219 Cb 0.77 0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.66 1xpu h MET 219 CO 0.06 1.05 -0.01 1.96 0.23 0.00 0.00 176.91 180.21 1xpu h GLN 220 N 0.19 0.00 0.06 0.39 4.20 -0.18 -2.51 115.11 117.25 1xpu h GLN 220 Ca -0.02 0.00 -0.18 0.00 0.06 0.00 0.00 58.65 58.50 1xpu h GLN 220 Cb 1.12 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.92 1xpu h GLN 220 CO 0.10 0.01 -0.75 -0.09 -0.67 0.00 0.00 178.83 177.43 1xpu h ARG 221 N 0.00 0.41 0.00 1.46 2.43 -1.02 -3.38 114.38 114.27 1xpu h ARG 221 Ca -0.00 -0.52 -0.23 0.00 -0.81 0.00 0.00 59.98 58.43 1xpu h ARG 221 Cb 0.02 0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.69 1xpu h ARG 221 CO 0.00 1.18 -1.24 -0.07 -1.51 0.00 0.00 179.97 178.34 1xpu h LEU 222 N -0.13 0.00 -9.05 3.80 3.38 -1.22 -3.46 115.31 108.63 1xpu h LEU 222 Ca -0.11 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.26 1xpu h LEU 222 Cb 1.49 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 42.14 1xpu h LEU 222 CO 0.14 0.92 0.13 -0.69 0.09 0.00 0.00 178.44 179.04 1xpu s VAL 223 N -2.71 5.01 -1.01 1.22 1.01 -0.97 -4.94 120.40 118.01 1xpu s VAL 223 Ca -0.01 1.14 -0.23 0.00 0.00 0.00 0.00 61.98 62.87 1xpu s VAL 223 Cb 0.09 -3.93 0.05 0.00 0.00 0.00 0.00 36.38 32.59 1xpu s VAL 223 CO 0.81 0.07 1.44 -0.75 0.00 0.00 0.00 175.10 176.68 1xpu s LYS 224 N 2.20 3.57 0.00 2.72 2.20 -1.26 -4.82 119.74 124.35 1xpu s LYS 224 Ca 0.27 -1.08 0.00 0.00 -0.36 0.00 0.00 55.97 54.80 1xpu s LYS 224 Cb -0.16 -5.30 0.00 0.00 -1.51 0.00 0.00 37.83 30.86 1xpu s LYS 224 CO 0.09 -2.21 0.00 0.41 -0.36 0.00 0.00 175.35 173.29 1xpu n GLY 225 N 6.81 0.93 3.61 5.54 0.00 -1.26 -4.74 105.19 116.07 1xpu n GLY 225 Ca 0.31 -1.31 -0.43 0.00 0.00 0.00 0.00 46.02 44.60 1xpu n GLY 225 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xpu s GLU 226 N -1.93 3.72 -0.31 1.61 2.12 -0.93 -4.96 118.70 118.03 1xpu s GLU 226 Ca 0.00 0.82 -0.14 0.00 0.36 0.00 0.00 54.97 56.01 1xpu s GLU 226 Cb 0.00 -3.93 -0.03 0.00 0.26 0.00 0.00 34.13 30.43 1xpu s GLU 226 CO 0.00 -1.38 0.30 0.08 -0.54 0.00 0.00 175.26 173.73 1xpu s VAL 227 N 4.72 5.22 -0.10 3.70 1.01 -1.26 -1.71 120.40 131.98 1xpu s VAL 227 Ca 0.53 0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.71 1xpu s VAL 227 Cb -0.11 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1xpu s VAL 227 CO 0.30 0.06 -0.22 -0.69 0.00 0.00 0.00 175.10 174.55 1xpu s VAL 228 N 1.92 1.92 -0.05 2.92 1.01 -0.41 -4.88 120.40 122.83 1xpu s VAL 228 Ca 0.10 -0.93 -0.15 0.00 0.00 0.00 0.00 61.98 61.01 1xpu s VAL 228 Cb -0.16 -1.67 0.03 0.00 0.00 0.00 0.00 36.38 34.58 1xpu s VAL 228 CO 0.11 0.53 0.34 0.00 0.00 0.00 0.00 175.10 176.07 1xpu s ALA 229 N 0.45 -0.85 -0.10 5.51 0.00 -1.26 -1.62 121.76 123.88 1xpu s ALA 229 Ca -0.17 0.55 0.02 0.00 0.00 0.00 0.00 51.96 52.37 1xpu s ALA 229 Cb -0.17 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 1xpu s ALA 229 CO 0.07 -0.24 -0.17 -1.54 0.00 0.00 0.00 175.76 173.88 1xpu s SER 230 N -0.90 3.72 0.64 0.00 1.04 0.21 -4.78 113.70 113.63 1xpu s SER 230 Ca -0.10 -0.37 -0.09 0.00 0.48 0.00 0.00 55.95 55.87 1xpu s SER 230 Cb -0.04 -1.34 0.00 0.00 0.10 0.00 0.00 66.02 64.74 1xpu s SER 230 CO 0.03 0.21 1.00 0.42 0.98 0.00 0.00 173.24 175.88 1xpu s THR 231 N 0.09 3.83 0.49 2.02 -4.23 -1.26 -1.10 115.64 115.48 1xpu s THR 231 Ca -0.08 0.36 0.17 0.00 -1.18 0.00 0.00 61.69 60.95 1xpu s THR 231 Cb -0.15 -3.55 0.31 0.00 1.34 0.00 0.00 72.50 70.45 1xpu s THR 231 CO 0.05 -0.67 2.06 2.19 -0.54 0.00 0.00 174.62 177.72 1xpu h PHE 232 N -0.38 0.17 -0.01 3.99 -5.15 -1.29 -2.68 116.94 111.59 1xpu h PHE 232 Ca -0.45 0.00 -0.15 0.00 -0.20 0.00 0.00 57.97 57.17 1xpu h PHE 232 Cb 1.24 -0.05 -0.02 0.00 0.22 0.00 0.00 35.95 37.34 1xpu h PHE 232 CO 0.52 0.09 -0.69 0.38 -2.00 0.00 0.00 178.31 176.61 1xpu h ASP 233 N 0.17 0.08 -4.01 -0.68 2.03 -1.93 -3.46 116.42 108.61 1xpu h ASP 233 Ca 0.14 -0.05 -0.53 0.00 -0.73 0.00 0.00 57.03 55.86 1xpu h ASP 233 Cb 0.35 -0.02 0.09 0.00 -0.83 0.00 0.00 39.33 38.92 1xpu h ASP 233 CO -0.02 0.74 0.55 -1.61 -1.03 0.00 0.00 179.24 177.88 1xpu s GLU 234 N -3.48 3.59 0.98 4.15 2.02 -1.01 -4.98 118.70 119.97 1xpu s GLU 234 Ca -0.02 2.01 -0.12 0.00 0.02 0.00 0.00 54.97 56.86 1xpu s GLU 234 Cb 0.12 -2.43 0.13 0.00 0.10 0.00 0.00 34.13 32.05 1xpu s GLU 234 CO 0.78 -0.76 0.78 -2.30 0.02 0.00 0.00 175.26 173.78 1xpu n PRO 235 N -0.54 -0.77 0.06 0.39 -0.02 -1.26 -4.84 135.00 128.02 1xpu n PRO 235 Ca 0.08 -0.17 0.00 0.00 -2.02 0.00 0.00 63.50 61.38 1xpu n PRO 235 Cb 0.46 -2.11 0.32 0.00 -0.02 0.00 0.00 33.50 32.14 1xpu n PRO 235 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xpu h ALA 236 N -1.91 1.37 0.00 3.55 0.00 -1.93 -1.68 119.26 118.66 1xpu h ALA 236 Ca -0.46 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.20 1xpu h ALA 236 Cb 1.29 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1xpu h ALA 236 CO 0.39 0.43 -0.04 0.66 0.00 0.00 0.00 179.25 180.69 1xpu h SER 237 N 0.35 0.00 0.09 0.00 4.64 -1.91 -2.82 113.55 113.90 1xpu h SER 237 Ca 0.07 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.14 1xpu h SER 237 Cb 0.43 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.55 1xpu h SER 237 CO 0.02 0.04 -1.04 -0.09 -0.87 0.00 0.00 176.83 174.89 1xpu h ARG 238 N 0.00 0.55 -0.45 4.77 9.65 -1.64 -2.29 114.38 124.96 1xpu h ARG 238 Ca -0.00 -0.71 -0.04 0.00 -1.10 0.00 0.00 59.98 58.13 1xpu h ARG 238 Cb 0.34 0.23 -0.02 0.00 -1.39 0.00 0.00 29.97 29.13 1xpu h ARG 238 CO 0.01 1.30 0.13 0.45 2.80 0.00 0.00 179.97 184.66 1xpu h HIS 239 N 0.13 0.68 -0.17 2.20 3.86 -1.41 -1.48 115.15 118.95 1xpu h HIS 239 Ca -0.15 -0.04 -0.04 0.00 -1.16 0.00 0.00 60.37 58.97 1xpu h HIS 239 Cb 1.74 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 30.00 1xpu h HIS 239 CO 0.13 0.57 -0.05 0.28 0.86 0.00 0.00 177.93 179.72 1xpu h VAL 240 N 0.66 1.29 -0.47 2.45 2.07 -1.58 -2.97 116.25 117.70 1xpu h VAL 240 Ca 0.15 -1.03 0.04 0.00 0.82 0.00 0.00 66.70 66.69 1xpu h VAL 240 Cb 0.22 1.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 1xpu h VAL 240 CO -0.01 0.31 0.22 -0.61 0.02 0.00 0.00 177.57 177.50 1xpu h GLN 241 N 0.03 0.43 -0.68 1.57 4.15 -0.92 -0.53 115.11 119.17 1xpu h GLN 241 Ca 0.04 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.39 1xpu h GLN 241 Cb 0.49 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.06 1xpu h GLN 241 CO 0.02 0.28 0.24 0.28 -1.93 0.00 0.00 178.83 177.72 1xpu h VAL 242 N 0.44 1.25 -0.13 2.39 2.07 -1.37 -1.42 116.25 119.48 1xpu h VAL 242 Ca 0.21 -0.82 -0.12 0.00 0.82 0.00 0.00 66.70 66.79 1xpu h VAL 242 Cb 0.13 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1xpu h VAL 242 CO -0.16 0.32 -0.44 0.00 0.02 0.00 0.00 177.57 177.32 1xpu h ALA 243 N 1.10 1.01 0.00 1.67 0.00 -1.27 -2.70 119.26 119.08 1xpu h ALA 243 Ca 0.22 -0.44 -0.22 0.00 0.00 0.00 0.00 54.91 54.48 1xpu h ALA 243 Cb 0.26 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1xpu h ALA 243 CO -0.01 0.62 -1.16 0.93 0.00 0.00 0.00 179.25 179.63 1xpu h GLU 244 N 0.26 0.00 -0.46 0.00 5.08 -0.96 -1.14 114.58 117.36 1xpu h GLU 244 Ca 0.02 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.32 1xpu h GLU 244 Cb 0.88 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 1xpu h GLU 244 CO 0.07 0.76 0.03 0.52 -1.00 0.00 0.00 179.01 179.40 1xpu h MET 245 N 0.00 0.73 0.08 2.33 2.86 -1.25 -2.89 114.93 116.79 1xpu h MET 245 Ca -0.09 -0.17 -0.11 0.00 -2.06 0.00 0.00 59.70 57.26 1xpu h MET 245 Cb 1.78 -0.10 0.01 0.00 0.06 0.00 0.00 31.60 33.36 1xpu h MET 245 CO 0.10 0.72 -0.49 0.28 1.06 0.00 0.00 176.91 178.58 1xpu h VAL 246 N 0.70 1.61 -0.20 -2.22 2.07 -1.44 -2.54 116.25 114.23 1xpu h VAL 246 Ca 0.14 -2.45 -0.04 0.00 0.82 0.00 0.00 66.70 65.17 1xpu h VAL 246 Cb 0.38 3.26 -0.01 0.00 -1.52 0.00 0.00 31.29 33.40 1xpu h VAL 246 CO 0.01 0.67 -0.05 -0.29 0.02 0.00 0.00 177.57 177.92 1xpu h ILE 247 N -0.65 1.16 0.10 4.57 6.09 -1.29 -1.46 117.51 126.03 1xpu h ILE 247 Ca -0.09 -0.66 -0.26 0.00 -1.37 0.00 0.00 64.86 62.47 1xpu h ILE 247 Cb 1.37 1.07 0.01 0.00 0.47 0.00 0.00 36.82 39.74 1xpu h ILE 247 CO 0.08 0.22 -1.17 -0.33 -3.07 0.00 0.00 178.15 173.87 1xpu h GLU 248 N 0.30 0.32 -0.93 2.19 4.39 -1.63 -2.74 114.58 116.47 1xpu h GLU 248 Ca 0.07 -0.48 0.05 0.00 0.34 0.00 0.00 59.36 59.34 1xpu h GLU 248 Cb 0.29 0.17 -0.06 0.00 -0.10 0.00 0.00 28.75 29.05 1xpu h GLU 248 CO 0.01 1.20 0.60 -0.22 -1.16 0.00 0.00 179.01 179.44 1xpu h LYS 249 N 0.12 1.08 -0.20 2.33 3.64 -0.97 -1.85 116.57 120.72 1xpu h LYS 249 Ca -0.13 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.16 1xpu h LYS 249 Cb 1.87 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 33.44 1xpu h LYS 249 CO 0.20 0.72 0.03 0.00 -2.27 0.00 0.00 179.45 178.12 1xpu h ALA 250 N 1.41 0.27 -0.95 5.00 0.00 -1.31 -2.76 119.26 120.91 1xpu h ALA 250 Ca 0.39 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.21 1xpu h ALA 250 Cb 0.09 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.73 1xpu h ALA 250 CO -0.15 -0.05 0.59 0.87 0.00 0.00 0.00 179.25 180.51 1xpu h LYS 251 N 0.13 0.97 -0.13 0.00 1.57 -1.13 -0.29 116.57 117.69 1xpu h LYS 251 Ca 0.06 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 1xpu h LYS 251 Cb 0.33 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1xpu h LYS 251 CO 0.00 0.64 -0.40 0.00 -0.57 0.00 0.00 179.45 179.13 1xpu h ARG 252 N 1.00 0.29 -0.01 3.15 2.47 -1.34 -2.62 114.38 117.32 1xpu h ARG 252 Ca 0.45 -0.14 -0.17 0.00 -1.26 0.00 0.00 59.98 58.86 1xpu h ARG 252 Cb 0.34 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.64 1xpu h ARG 252 CO -0.23 0.65 -0.76 -0.07 0.56 0.00 0.00 179.97 180.13 1xpu h LEU 253 N 0.24 0.16 -0.69 3.04 3.38 -0.87 -3.06 115.31 117.51 1xpu h LEU 253 Ca 0.02 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.79 1xpu h LEU 253 Cb 0.82 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1xpu h LEU 253 CO 0.07 0.85 -0.44 0.58 0.09 0.00 0.00 178.44 179.59 1xpu h VAL 254 N 0.08 0.94 0.00 1.22 2.07 -1.02 -2.61 116.25 116.93 1xpu h VAL 254 Ca -0.02 -1.79 -0.02 0.00 0.82 0.00 0.00 66.70 65.70 1xpu h VAL 254 Cb 1.33 2.09 -0.00 0.00 -1.52 0.00 0.00 31.29 33.18 1xpu h VAL 254 CO 0.11 0.43 -0.09 -0.33 0.02 0.00 0.00 177.57 177.72 1xpu h GLU 255 N 0.00 0.00 -0.72 1.57 5.08 -1.36 0.28 114.58 119.42 1xpu h GLU 255 Ca -0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.20 1xpu h GLU 255 Cb 1.05 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.21 1xpu h GLU 255 CO 0.06 0.09 0.19 0.72 -1.00 0.00 0.00 179.01 179.07 1xpu n HIS 256 N -3.58 2.30 -3.51 4.33 8.25 -1.01 -4.78 115.22 117.21 1xpu n HIS 256 Ca -0.02 -1.03 -0.20 0.00 -0.26 0.00 0.00 57.72 56.21 1xpu n HIS 256 Cb 0.21 -0.63 0.08 0.00 1.12 0.00 0.00 29.99 30.77 1xpu n HIS 256 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1xpu n LYS 257 N 0.08 -7.05 -4.12 -0.41 5.02 0.09 -5.00 118.16 106.78 1xpu n LYS 257 Ca 0.36 0.83 -0.32 0.00 -2.02 0.00 0.00 58.31 57.16 1xpu n LYS 257 Cb 1.31 -5.85 -0.07 0.00 -0.02 0.00 0.00 35.03 30.40 1xpu n LYS 257 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1xpu s LYS 258 N -5.74 2.93 -0.42 1.97 -0.14 -1.02 -4.06 119.74 113.26 1xpu s LYS 258 Ca 0.22 -0.59 -0.23 0.00 -1.36 0.00 0.00 55.97 54.01 1xpu s LYS 258 Cb -0.10 -2.77 0.02 0.00 -1.68 0.00 0.00 37.83 33.31 1xpu s LYS 258 CO 0.73 0.61 0.75 -0.51 -0.76 0.00 0.00 175.35 176.18 1xpu s ASP 259 N -1.94 6.43 -0.09 2.83 1.01 -1.26 -1.49 116.67 122.16 1xpu s ASP 259 Ca 0.24 -0.01 0.00 0.00 0.71 0.00 0.00 52.55 53.50 1xpu s ASP 259 Cb -0.12 -2.37 -0.03 0.00 1.01 0.00 0.00 42.92 41.41 1xpu s ASP 259 CO 0.16 -0.83 -0.08 -0.69 0.21 0.00 0.00 175.17 173.94 1xpu s VAL 260 N 3.13 3.55 -0.13 -1.27 1.01 0.07 -1.55 120.40 125.22 1xpu s VAL 260 Ca 0.29 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.77 1xpu s VAL 260 Cb -0.13 -2.46 0.01 0.00 0.00 0.00 0.00 36.38 33.80 1xpu s VAL 260 CO 0.20 0.57 -0.19 -0.63 0.00 0.00 0.00 175.10 175.05 1xpu s ILE 261 N -0.48 1.86 -0.21 2.22 1.01 -0.23 -0.60 121.20 124.76 1xpu s ILE 261 Ca 0.07 -0.85 -0.02 0.00 0.00 0.00 0.00 60.65 59.85 1xpu s ILE 261 Cb -0.12 -1.66 0.01 0.00 0.01 0.00 0.00 42.46 40.70 1xpu s ILE 261 CO 0.02 0.51 -0.11 -0.63 0.00 0.00 0.00 174.94 174.73 1xpu s ILE 262 N 0.91 2.80 -0.59 2.92 1.01 0.69 -0.55 121.20 128.39 1xpu s ILE 262 Ca -0.06 -0.72 -0.16 0.00 0.00 0.00 0.00 60.65 59.72 1xpu s ILE 262 Cb -0.15 -2.25 0.14 0.00 0.01 0.00 0.00 42.46 40.21 1xpu s ILE 262 CO -0.02 0.45 0.54 -0.76 0.00 0.00 0.00 174.94 175.15 1xpu s LEU 263 N 1.39 6.28 0.01 2.97 1.43 0.45 -1.37 118.68 129.85 1xpu s LEU 263 Ca 0.05 -1.94 -0.26 0.00 -1.03 0.00 0.00 54.13 50.96 1xpu s LEU 263 Cb -0.14 -2.21 -0.05 0.00 0.03 0.00 0.00 46.19 43.83 1xpu s LEU 263 CO -0.07 -0.81 0.80 -0.22 0.23 0.00 0.00 176.35 176.27 1xpu s LEU 264 N 1.37 4.41 0.12 1.79 2.96 -0.99 -0.87 118.68 127.46 1xpu s LEU 264 Ca 0.05 1.44 -0.17 0.00 -0.22 0.00 0.00 54.13 55.24 1xpu s LEU 264 Cb -0.27 -3.28 -0.03 0.00 0.50 0.00 0.00 46.19 43.11 1xpu s LEU 264 CO 0.01 -0.07 1.65 -0.78 -1.32 0.00 0.00 176.35 175.84 1xpu h ASP 265 N 6.13 0.48 -1.16 3.68 3.58 -0.24 -2.16 116.42 126.74 1xpu h ASP 265 Ca -0.43 -0.19 0.01 0.00 0.42 0.00 0.00 57.03 56.85 1xpu h ASP 265 Cb 1.21 -0.13 -0.23 0.00 1.72 0.00 0.00 39.33 41.90 1xpu h ASP 265 CO 0.73 0.54 -0.37 -0.94 -2.88 0.00 0.00 179.24 176.32 1xpu s SER 266 N -5.82 -1.15 0.58 2.28 1.04 -1.26 -3.90 113.70 105.46 1xpu s SER 266 Ca -0.13 0.38 0.33 0.00 0.48 0.00 0.00 55.95 57.00 1xpu s SER 266 Cb 0.09 1.90 1.76 0.00 0.10 0.00 0.00 66.02 69.87 1xpu s SER 266 CO 0.74 -0.29 2.17 -0.29 0.98 0.00 0.00 173.24 176.55 1xpu h ILE 267 N 6.03 0.34 0.14 -1.02 6.09 -1.53 -0.65 117.51 126.91 1xpu h ILE 267 Ca -0.11 -0.30 -0.01 0.00 -1.37 0.00 0.00 64.86 63.07 1xpu h ILE 267 Cb 1.17 1.22 0.00 0.00 0.47 0.00 0.00 36.82 39.68 1xpu h ILE 267 CO 0.21 0.05 -0.07 0.74 -3.07 0.00 0.00 178.15 176.02 1xpu h THR 268 N 0.00 1.01 -0.20 2.19 2.02 -1.93 -2.24 112.91 113.76 1xpu h THR 268 Ca -0.00 -0.78 -0.08 0.00 0.77 0.00 0.00 66.41 66.32 1xpu h THR 268 Cb 0.21 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.09 1xpu h THR 268 CO 0.01 0.18 -0.25 0.03 0.37 0.00 0.00 175.52 175.86 1xpu h ARG 269 N -0.57 0.37 -0.26 6.66 2.47 -1.80 -2.24 114.38 119.00 1xpu h ARG 269 Ca -0.02 -0.13 -0.13 0.00 -1.26 0.00 0.00 59.98 58.44 1xpu h ARG 269 Cb 0.44 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.72 1xpu h ARG 269 CO 0.03 0.59 -0.37 1.25 0.56 0.00 0.00 179.97 182.03 1xpu h LEU 270 N 0.33 0.62 -0.42 3.04 5.85 -1.19 -2.99 115.31 120.55 1xpu h LEU 270 Ca 0.05 -0.26 -0.18 0.00 0.84 0.00 0.00 57.88 58.33 1xpu h LEU 270 Cb 0.61 -0.17 -0.00 0.00 0.37 0.00 0.00 40.66 41.47 1xpu h LEU 270 CO 0.04 0.93 -0.68 0.00 -0.34 0.00 0.00 178.44 178.40 1xpu h ALA 271 N 1.10 0.61 -0.82 1.25 0.00 -1.16 -2.21 119.26 118.02 1xpu h ALA 271 Ca 0.05 -0.58 0.07 0.00 0.00 0.00 0.00 54.91 54.45 1xpu h ALA 271 Cb 0.87 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.54 1xpu h ALA 271 CO 0.07 0.73 0.54 0.00 0.00 0.00 0.00 179.25 180.59 1xpu h ARG 272 N 0.34 0.86 0.39 0.00 2.47 -1.38 -1.46 114.38 115.59 1xpu h ARG 272 Ca -0.02 -0.05 -0.02 0.00 -1.26 0.00 0.00 59.98 58.63 1xpu h ARG 272 Cb 1.25 -0.19 0.00 0.00 -1.65 0.00 0.00 29.97 29.38 1xpu h ARG 272 CO 0.12 0.57 -0.19 0.00 0.56 0.00 0.00 179.97 181.03 1xpu h ALA 273 N 1.56 -0.52 -0.94 0.04 0.00 -1.35 -3.20 119.26 114.84 1xpu h ALA 273 Ca 0.36 -0.18 0.19 0.00 0.00 0.00 0.00 54.91 55.28 1xpu h ALA 273 Cb 0.26 0.20 -0.11 0.00 0.00 0.00 0.00 17.79 18.14 1xpu h ALA 273 CO -0.13 -0.58 0.52 1.88 0.00 0.00 0.00 179.25 180.94 1xpu h TYR 274 N -0.96 0.90 -0.94 0.00 0.05 -1.29 -0.85 116.97 113.88 1xpu h TYR 274 Ca -0.05 0.04 0.15 0.00 0.05 0.00 0.00 58.73 58.91 1xpu h TYR 274 Cb 0.54 -0.25 -0.08 0.00 1.01 0.00 0.00 36.73 37.95 1xpu h TYR 274 CO 0.02 0.14 0.60 -0.97 -1.05 0.00 0.00 178.16 176.90 1xpu h ASN 275 N 0.62 0.72 0.46 3.88 -1.24 -1.28 0.49 115.58 119.23 1xpu h ASN 275 Ca 0.56 0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.62 1xpu h ASN 275 Cb 0.92 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.89 1xpu h ASN 275 CO -0.42 0.34 -0.75 0.35 -1.29 0.00 0.00 177.43 175.66 1xpu n THR 276 N -4.60 0.10 -0.04 -3.57 -2.24 -0.39 -4.12 114.28 99.41 1xpu n THR 276 Ca 0.19 -0.11 -0.21 0.00 -2.27 0.00 0.00 64.05 61.64 1xpu n THR 276 Cb 0.48 0.29 -0.13 0.00 -2.10 0.00 0.00 70.33 68.87 1xpu n THR 276 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 1xpu n VAL 277 N -1.73 1.69 -2.37 2.28 0.31 -0.65 -4.82 118.33 113.04 1xpu n VAL 277 Ca 0.04 -0.55 -0.43 0.00 -0.01 0.00 0.00 64.34 63.39 1xpu n VAL 277 Cb 0.38 -1.72 -0.02 0.00 -0.91 0.00 0.00 33.84 31.57 1xpu n VAL 277 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1xpu s VAL 278 N -2.53 4.08 0.22 2.52 1.01 0.16 -5.01 120.40 120.87 1xpu s VAL 278 Ca -0.26 1.24 -0.28 0.00 0.00 0.00 0.00 61.98 62.67 1xpu s VAL 278 Cb 0.07 -4.05 -0.09 0.00 0.00 0.00 0.00 36.38 32.31 1xpu s VAL 278 CO 0.70 -0.39 0.88 -2.16 0.00 0.00 0.00 175.10 174.13 1xpu s PRO 279 N 4.15 4.73 0.24 2.72 0.04 -1.26 -4.82 135.00 140.79 1xpu s PRO 279 Ca 0.59 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.98 1xpu s PRO 279 Cb -0.19 -3.22 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1xpu s PRO 279 CO 0.23 0.51 0.00 0.00 0.04 0.00 0.00 177.00 177.78 1xpu n ALA 280 N 1.41 -1.40 -1.01 8.56 0.00 -1.26 -5.08 120.51 121.73 1xpu n ALA 280 Ca -0.03 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1xpu n ALA 280 Cb 0.48 -0.90 0.00 0.00 0.00 0.00 0.00 19.45 19.03 1xpu n ALA 280 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1xpu n VAL 284 N -2.03 -0.68 -4.67 0.00 0.24 -1.26 -4.88 118.33 105.06 1xpu n VAL 284 Ca 0.00 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.07 1xpu n VAL 284 Cb 0.16 -2.28 -0.15 0.00 -1.47 0.00 0.00 33.84 30.10 1xpu n VAL 284 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1xpu s LEU 285 N -1.52 2.01 -0.29 1.34 1.43 -1.26 -3.50 118.68 116.89 1xpu s LEU 285 Ca 0.00 -0.27 0.18 0.00 -1.03 0.00 0.00 54.13 53.02 1xpu s LEU 285 Cb 0.00 -0.76 0.49 0.00 0.03 0.00 0.00 46.19 45.95 1xpu s LEU 285 CO 0.00 0.17 1.10 0.35 0.23 0.00 0.00 176.35 178.20 1xpu n THR 286 N 2.78 1.51 0.00 5.49 -2.24 -1.15 -4.93 114.28 115.74 1xpu n THR 286 Ca -0.15 -3.29 0.00 0.00 -2.27 0.00 0.00 64.05 58.35 1xpu n THR 286 Cb 0.55 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 1xpu n THR 286 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xpu n GLY 287 N -0.52 0.94 0.47 3.38 0.00 -1.26 -4.71 105.19 103.49 1xpu n GLY 287 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1xpu n GLY 287 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xpu n GLY 288 N 0.00 2.89 3.62 -0.02 0.00 -1.26 -3.98 105.19 106.44 1xpu n GLY 288 Ca 0.00 -0.57 -0.38 0.00 0.00 0.00 0.00 46.02 45.07 1xpu n GLY 288 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xpu s VAL 289 N -1.35 5.31 -0.01 1.61 0.11 -1.26 -5.05 120.40 119.76 1xpu s VAL 289 Ca 0.00 0.24 -0.31 0.00 -2.93 0.00 0.00 61.98 58.98 1xpu s VAL 289 Cb 0.00 -3.55 -0.10 0.00 -1.53 0.00 0.00 36.38 31.21 1xpu s VAL 289 CO 0.00 0.27 1.97 -0.67 -3.33 0.00 0.00 175.10 173.34 1xpu n ASP 290 N 4.79 3.91 0.32 3.54 2.03 -1.26 -2.93 116.55 126.95 1xpu n ASP 290 Ca -0.14 0.88 0.19 0.00 0.52 0.00 0.00 54.79 56.25 1xpu n ASP 290 Cb 0.52 -1.48 1.07 0.00 -0.72 0.00 0.00 41.12 40.50 1xpu n ASP 290 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xpu h ALA 291 N 10.48 1.27 -0.00 -1.67 0.00 -1.92 -0.47 119.26 126.94 1xpu h ALA 291 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1xpu h ALA 291 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1xpu h ALA 291 CO 0.94 -0.03 -0.10 0.09 0.00 0.00 0.00 179.25 180.16 1xpu n ASN 292 N -3.43 0.33 0.11 0.00 3.02 -1.26 -3.74 115.26 110.30 1xpu n ASN 292 Ca -0.03 -0.39 0.10 0.00 -0.03 0.00 0.00 54.58 54.24 1xpu n ASN 292 Cb 0.10 -0.13 0.01 0.00 -0.61 0.00 0.00 39.78 39.14 1xpu n ASN 292 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xpu h ALA 293 N 3.50 0.57 0.00 5.41 0.00 -1.45 -3.34 119.26 123.95 1xpu h ALA 293 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1xpu h ALA 293 Cb 0.36 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1xpu h ALA 293 CO 0.00 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.64 1xpu n LEU 294 N -2.75 0.00 -0.02 0.00 4.77 -1.24 -3.64 117.00 114.11 1xpu n LEU 294 Ca -0.01 0.10 -0.13 0.00 -0.03 0.00 0.00 56.01 55.94 1xpu n LEU 294 Cb 0.58 -0.10 -0.10 0.00 -2.33 0.00 0.00 43.42 41.47 1xpu n LEU 294 CO 0.40 -0.04 0.60 -0.74 -1.33 0.00 0.00 177.39 176.28 1xpu h HIS 295 N 0.00 0.00 -0.42 -1.77 2.76 -1.82 -2.90 115.15 111.00 1xpu h HIS 295 Ca 0.00 -0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.07 1xpu h HIS 295 Cb 0.05 -0.00 -0.02 0.00 1.55 0.00 0.00 27.41 29.00 1xpu h HIS 295 CO 0.00 0.55 -0.16 0.00 -1.30 0.00 0.00 177.93 177.02 1xpu h ARG 296 N -0.55 0.78 -0.06 5.26 2.47 -1.86 0.14 114.38 120.56 1xpu h ARG 296 Ca 0.00 -0.29 -0.05 0.00 -1.26 0.00 0.00 59.98 58.38 1xpu h ARG 296 Cb 0.55 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.81 1xpu h ARG 296 CO 0.00 0.89 -0.21 -1.35 0.56 0.00 0.00 179.97 179.87 1xpu h PRO 297 N 0.70 0.10 -0.03 0.04 0.11 -1.77 -2.46 132.00 128.69 1xpu h PRO 297 Ca 0.11 -0.03 -0.21 0.00 0.11 0.00 0.00 66.00 65.98 1xpu h PRO 297 Cb 0.66 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.75 1xpu h PRO 297 CO 0.05 0.31 -0.86 0.87 -0.21 0.00 0.00 178.00 178.15 1xpu h LYS 298 N 0.10 0.40 -0.89 1.05 1.57 -1.16 -2.50 116.57 115.14 1xpu h LYS 298 Ca 0.02 -0.39 -0.01 0.00 -1.87 0.00 0.00 60.65 58.39 1xpu h LYS 298 Cb 0.43 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.80 1xpu h LYS 298 CO 0.03 1.05 0.51 -0.09 -0.57 0.00 0.00 179.45 180.38 1xpu h ARG 299 N 0.24 1.22 0.19 3.15 1.12 -0.58 0.66 114.38 120.39 1xpu h ARG 299 Ca -0.06 -0.13 0.00 0.00 -1.11 0.00 0.00 59.98 58.68 1xpu h ARG 299 Cb 1.48 -0.25 -0.02 0.00 -0.01 0.00 0.00 29.97 31.18 1xpu h ARG 299 CO 0.15 0.88 -0.18 0.35 -3.11 0.00 0.00 179.97 178.05 1xpu h PHE 300 N 1.23 -0.48 0.00 2.20 3.57 -1.45 -2.82 116.94 119.20 1xpu h PHE 300 Ca 0.32 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.82 1xpu h PHE 300 Cb -0.01 0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.92 1xpu h PHE 300 CO 0.01 -0.28 0.00 0.35 -2.23 0.00 0.00 178.31 176.16 1xpu h PHE 301 N -0.40 0.00 0.00 0.41 -0.00 -0.90 -2.90 116.94 113.15 1xpu h PHE 301 Ca -0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.97 57.92 1xpu h PHE 301 Cb 0.38 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.32 1xpu h PHE 301 CO -0.14 0.00 -0.23 0.78 -0.00 0.00 0.00 178.31 178.72 1xpu h GLY 302 N 1.92 0.00 2.00 2.40 0.00 0.57 -3.27 103.07 106.70 1xpu h GLY 302 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1xpu h GLY 302 CO 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 176.54 176.44 1xpu h ALA 303 N 1.77 1.18 -2.11 3.60 0.00 -1.46 -3.43 119.26 118.80 1xpu h ALA 303 Ca -0.00 -0.09 -0.56 0.00 0.00 0.00 0.00 54.91 54.25 1xpu h ALA 303 Cb 1.08 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1xpu h ALA 303 CO 0.03 0.13 1.33 0.00 0.00 0.00 0.00 179.25 180.73 1xpu s ALA 304 N -4.05 3.12 0.03 0.00 0.00 -1.23 -4.72 121.76 114.91 1xpu s ALA 304 Ca -0.02 0.88 -0.27 0.00 0.00 0.00 0.00 51.96 52.55 1xpu s ALA 304 Cb 0.12 -3.95 0.09 0.00 0.00 0.00 0.00 23.12 19.38 1xpu s ALA 304 CO 0.57 -2.22 0.80 -0.98 0.00 0.00 0.00 175.76 173.93 1xpu s ARG 305 N 5.37 0.96 -0.03 0.00 1.70 0.34 -4.64 118.95 122.65 1xpu s ARG 305 Ca 0.90 -0.31 -0.17 0.00 -0.47 0.00 0.00 55.73 55.69 1xpu s ARG 305 Cb -0.34 0.44 -0.05 0.00 -0.57 0.00 0.00 34.95 34.43 1xpu s ARG 305 CO 0.36 -0.41 0.45 1.21 -1.08 0.00 0.00 175.30 175.83 1xpu s ASN 306 N -2.45 6.80 -0.23 -2.89 2.47 -1.25 -1.32 114.94 116.07 1xpu s ASN 306 Ca 0.03 0.96 -0.10 0.00 0.42 0.00 0.00 52.86 54.16 1xpu s ASN 306 Cb -0.01 -2.28 -0.05 0.00 -1.45 0.00 0.00 41.25 37.46 1xpu s ASN 306 CO -0.09 0.21 0.14 -0.69 -3.72 0.00 0.00 177.10 172.95 1xpu s VAL 307 N -0.51 5.25 0.11 -5.21 1.01 -1.01 -3.27 120.40 116.77 1xpu s VAL 307 Ca 0.25 0.14 -0.18 0.00 0.00 0.00 0.00 61.98 62.19 1xpu s VAL 307 Cb -0.17 -3.44 -0.06 0.00 0.00 0.00 0.00 36.38 32.72 1xpu s VAL 307 CO 0.13 0.36 1.65 -0.08 0.00 0.00 0.00 175.10 177.16 1xpu h GLU 308 N 7.42 0.40 0.00 2.72 4.81 -1.71 -2.89 114.58 125.34 1xpu h GLU 308 Ca -0.38 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1xpu h GLU 308 Cb 1.17 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.48 1xpu h GLU 308 CO 0.66 0.43 0.00 -0.85 -0.73 0.00 0.00 179.01 178.53 1xpu n GLU 309 N -4.76 0.02 0.00 1.92 0.00 -1.26 -4.90 120.64 111.65 1xpu n GLU 309 Ca -0.03 0.23 0.00 0.00 0.00 0.00 0.00 57.16 57.37 1xpu n GLU 309 Cb 0.13 -1.54 0.00 0.00 0.00 0.00 0.00 31.44 30.03 1xpu n GLU 309 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1xpu n GLY 310 N 0.21 4.82 2.45 -1.84 0.00 -1.09 -5.01 105.19 104.72 1xpu n GLY 310 Ca 0.04 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1xpu n GLY 310 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xpu n GLY 311 N -1.68 -2.45 3.58 -0.02 0.00 -1.26 -4.42 105.19 98.94 1xpu n GLY 311 Ca 0.00 -1.69 -0.06 0.00 0.00 0.00 0.00 46.02 44.28 1xpu n GLY 311 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xpu s SER 312 N -2.74 -0.25 -0.13 1.61 1.04 -0.56 -2.41 113.70 110.26 1xpu s SER 312 Ca 0.00 -0.07 -0.03 0.00 0.48 0.00 0.00 55.95 56.33 1xpu s SER 312 Cb 0.00 0.31 0.05 0.00 0.10 0.00 0.00 66.02 66.48 1xpu s SER 312 CO 0.00 -0.52 0.04 -0.22 0.98 0.00 0.00 173.24 173.52 1xpu s LEU 313 N -2.51 0.67 -0.15 2.42 2.96 -0.44 -0.75 118.68 120.89 1xpu s LEU 313 Ca 0.08 -0.45 -0.03 0.00 -0.22 0.00 0.00 54.13 53.51 1xpu s LEU 313 Cb -0.01 -0.40 -0.03 0.00 0.50 0.00 0.00 46.19 46.25 1xpu s LEU 313 CO -0.06 -0.28 -0.05 0.28 -1.32 0.00 0.00 176.35 174.92 1xpu s THR 314 N 2.00 3.77 -0.27 3.68 -1.32 0.24 -0.50 115.64 123.24 1xpu s THR 314 Ca 0.02 -0.40 0.02 0.00 -1.21 0.00 0.00 61.69 60.12 1xpu s THR 314 Cb -0.15 -2.64 0.07 0.00 -1.51 0.00 0.00 72.50 68.27 1xpu s THR 314 CO -0.07 0.50 -0.05 -0.63 -2.21 0.00 0.00 174.62 172.17 1xpu s ILE 315 N 0.32 1.87 -0.56 5.08 1.01 -0.29 -0.23 121.20 128.41 1xpu s ILE 315 Ca -0.05 -1.61 -0.14 0.00 0.00 0.00 0.00 60.65 58.85 1xpu s ILE 315 Cb -0.14 -2.14 0.14 0.00 0.01 0.00 0.00 42.46 40.32 1xpu s ILE 315 CO 0.03 -0.21 0.50 -0.63 0.00 0.00 0.00 174.94 174.64 1xpu s ILE 316 N 1.20 5.07 -0.01 2.92 1.01 -0.47 -1.21 121.20 129.71 1xpu s ILE 316 Ca -0.03 -1.68 0.01 0.00 0.00 0.00 0.00 60.65 58.95 1xpu s ILE 316 Cb -0.19 -4.25 -0.04 0.00 0.01 0.00 0.00 42.46 37.99 1xpu s ILE 316 CO -0.07 -0.87 0.02 0.00 0.00 0.00 0.00 174.94 174.02 1xpu s ALA 317 N 1.38 3.37 0.00 9.38 0.00 0.67 -2.33 121.76 134.22 1xpu s ALA 317 Ca 0.05 -0.92 -0.20 0.00 0.00 0.00 0.00 51.96 50.90 1xpu s ALA 317 Cb -0.27 -1.42 -0.06 0.00 0.00 0.00 0.00 23.12 21.38 1xpu s ALA 317 CO 0.01 0.65 0.57 0.99 0.00 0.00 0.00 175.76 177.99 1xpu s THR 318 N -1.10 4.90 -0.27 0.00 2.01 -0.81 -0.16 115.64 120.21 1xpu s THR 318 Ca 0.20 1.20 -0.07 0.00 0.31 0.00 0.00 61.69 63.33 1xpu s THR 318 Cb -0.12 -3.91 -0.01 0.00 0.01 0.00 0.00 72.50 68.47 1xpu s THR 318 CO 0.11 0.44 0.07 0.00 -0.69 0.00 0.00 174.62 174.56 1xpu s ALA 319 N -0.35 3.12 0.02 7.40 0.00 0.16 -1.46 121.76 130.66 1xpu s ALA 319 Ca 0.30 -1.25 -0.28 0.00 0.00 0.00 0.00 51.96 50.73 1xpu s ALA 319 Cb -0.18 -2.10 -0.04 0.00 0.00 0.00 0.00 23.12 20.79 1xpu s ALA 319 CO 0.17 -0.65 0.88 -0.51 0.00 0.00 0.00 175.76 175.66 1xpu s LEU 320 N 1.57 4.41 0.04 0.00 1.43 -1.26 -1.88 118.68 122.98 1xpu s LEU 320 Ca 0.05 1.56 -0.02 0.00 -1.03 0.00 0.00 54.13 54.70 1xpu s LEU 320 Cb -0.16 -3.42 -0.03 0.00 0.03 0.00 0.00 46.19 42.62 1xpu s LEU 320 CO 0.03 -0.13 0.00 -0.51 0.23 0.00 0.00 176.35 175.97 1xpu s ILE 321 N 0.53 0.16 -1.15 -0.59 2.07 -0.92 -4.74 121.20 116.56 1xpu s ILE 321 Ca 0.46 -1.36 -0.07 0.00 -1.41 0.00 0.00 60.65 58.27 1xpu s ILE 321 Cb -0.21 -0.98 0.01 0.00 0.13 0.00 0.00 42.46 41.40 1xpu s ILE 321 CO 0.26 -0.75 0.89 0.47 -1.91 0.00 0.00 174.94 173.90 1xpu n ASP 322 N 0.72 -5.58 0.02 4.50 8.00 -1.26 -4.24 116.55 118.71 1xpu n ASP 322 Ca -0.18 -0.41 -0.05 0.00 0.71 0.00 0.00 54.79 54.87 1xpu n ASP 322 Cb 0.59 -4.22 -0.10 0.00 -0.02 0.00 0.00 41.12 37.36 1xpu n ASP 322 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1xpu h THR 323 N -2.04 0.85 0.00 -3.53 1.35 -1.96 -3.44 112.91 104.14 1xpu h THR 323 Ca -0.46 -2.52 0.00 0.00 -0.55 0.00 0.00 66.41 62.87 1xpu h THR 323 Cb 1.30 2.35 0.00 0.00 -1.73 0.00 0.00 68.15 70.07 1xpu h THR 323 CO 0.46 0.48 0.00 0.61 -0.25 0.00 0.00 175.52 176.83 1xpu n GLY 324 N 1.45 0.87 3.42 5.82 0.00 -1.26 -5.09 105.19 110.40 1xpu n GLY 324 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 1xpu n GLY 324 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xpu s SER 325 N -1.60 4.79 0.50 1.61 0.15 -1.26 -4.99 113.70 112.89 1xpu s SER 325 Ca 0.00 -0.24 0.26 0.00 0.70 0.00 0.00 55.95 56.67 1xpu s SER 325 Cb 0.00 -1.83 1.28 0.00 -1.71 0.00 0.00 66.02 63.76 1xpu s SER 325 CO 0.00 0.03 1.99 0.11 1.20 0.00 0.00 173.24 176.57 1xpu h LYS 326 N 7.77 0.00 -0.28 5.44 1.57 -1.98 -2.23 116.57 126.86 1xpu h LYS 326 Ca -0.37 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.42 1xpu h LYS 326 Cb 1.17 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.46 1xpu h LYS 326 CO 0.60 0.16 0.14 1.98 -0.57 0.00 0.00 179.45 181.76 1xpu h MET 327 N 0.00 0.29 -0.58 3.15 4.05 -1.95 -2.22 114.93 117.67 1xpu h MET 327 Ca -0.00 -0.02 0.14 0.00 -0.28 0.00 0.00 59.70 59.54 1xpu h MET 327 Cb 0.48 -0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.18 1xpu h MET 327 CO 0.02 0.19 0.40 -0.44 0.23 0.00 0.00 176.91 177.31 1xpu h ASP 328 N 0.30 0.13 -0.21 1.39 3.32 -1.76 -0.98 116.42 118.61 1xpu h ASP 328 Ca 0.11 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 57.08 1xpu h ASP 328 Cb 0.03 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1xpu h ASP 328 CO -0.07 0.07 -0.21 -0.33 -1.72 0.00 0.00 179.24 176.98 1xpu h GLU 329 N 0.14 0.50 -0.60 3.56 4.39 -1.41 -3.06 114.58 118.11 1xpu h GLU 329 Ca 0.28 -0.27 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 1xpu h GLU 329 Cb 0.90 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 29.54 1xpu h GLU 329 CO -0.04 0.85 0.27 0.28 -1.16 0.00 0.00 179.01 179.21 1xpu h VAL 330 N 0.18 1.22 -0.72 3.13 2.07 -0.71 0.17 116.25 121.59 1xpu h VAL 330 Ca 0.03 -0.65 0.12 0.00 0.82 0.00 0.00 66.70 67.02 1xpu h VAL 330 Cb 0.75 0.53 -0.08 0.00 -1.52 0.00 0.00 31.29 30.97 1xpu h VAL 330 CO 0.05 0.26 0.30 0.40 0.02 0.00 0.00 177.57 178.60 1xpu h ILE 331 N 0.83 0.73 -0.23 4.57 1.08 -1.38 -1.37 117.51 121.74 1xpu h ILE 331 Ca 0.21 -0.17 -0.03 0.00 -0.39 0.00 0.00 64.86 64.47 1xpu h ILE 331 Cb 0.15 0.21 -0.01 0.00 -3.07 0.00 0.00 36.82 34.10 1xpu h ILE 331 CO -0.02 0.09 0.01 0.22 -0.69 0.00 0.00 178.15 177.76 1xpu h TYR 332 N 0.49 0.43 -0.77 1.37 3.20 -1.29 -2.90 116.97 117.50 1xpu h TYR 332 Ca 0.38 -0.07 0.16 0.00 3.14 0.00 0.00 58.73 62.33 1xpu h TYR 332 Cb 0.51 -0.11 -0.05 0.00 1.54 0.00 0.00 36.73 38.61 1xpu h TYR 332 CO -0.15 0.56 0.51 0.93 -1.64 0.00 0.00 178.16 178.38 1xpu h GLU 333 N 0.18 0.37 0.02 1.82 4.39 -0.18 -1.55 114.58 119.63 1xpu h GLU 333 Ca 0.07 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 1xpu h GLU 333 Cb 0.38 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1xpu h GLU 333 CO 0.01 0.25 -0.01 0.93 -1.16 0.00 0.00 179.01 179.03 1xpu h GLU 334 N 0.39 -0.02 0.00 2.33 4.39 -1.20 -3.30 114.58 117.17 1xpu h GLU 334 Ca 0.38 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.08 1xpu h GLU 334 Cb 0.92 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.57 1xpu h GLU 334 CO -0.12 0.73 0.00 1.19 -1.16 0.00 0.00 179.01 179.65 1xpu n PHE 335 N -4.70 0.00 -1.74 4.33 3.01 -1.10 -4.69 117.46 112.56 1xpu n PHE 335 Ca -0.09 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 57.95 1xpu n PHE 335 Cb 0.37 -0.23 -0.03 0.00 -0.01 0.00 0.00 39.48 39.58 1xpu n PHE 335 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1xpu s LYS 336 N -2.47 3.45 0.00 -1.08 2.20 -0.60 -2.26 119.74 118.98 1xpu s LYS 336 Ca 0.24 2.01 0.00 0.00 -0.36 0.00 0.00 55.97 57.86 1xpu s LYS 336 Cb 0.15 -4.26 0.00 0.00 -1.51 0.00 0.00 37.83 32.21 1xpu s LYS 336 CO 0.33 -1.74 0.00 0.41 -0.36 0.00 0.00 175.35 173.99 1xpu n GLY 337 N 5.33 2.89 0.26 5.54 0.00 -1.26 -4.88 105.19 113.07 1xpu n GLY 337 Ca 0.25 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.43 1xpu n GLY 337 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1xpu h THR 338 N 0.00 0.16 -3.21 2.61 1.35 -1.73 -3.43 112.91 108.66 1xpu h THR 338 Ca 0.00 -0.66 -0.57 0.00 -0.55 0.00 0.00 66.41 64.62 1xpu h THR 338 Cb 0.00 1.57 -0.04 0.00 -1.73 0.00 0.00 68.15 67.95 1xpu h THR 338 CO 0.00 0.06 -0.20 -0.83 -0.25 0.00 0.00 175.52 174.30 1xpu s GLY 339 N -4.21 2.35 -0.32 5.82 0.00 -1.25 -4.97 107.32 104.73 1xpu s GLY 339 Ca 0.01 -0.33 0.08 0.00 0.00 0.00 0.00 44.72 44.48 1xpu s GLY 339 CO 0.57 -0.13 1.75 1.16 0.00 0.00 0.00 173.10 176.46 1xpu n ASN 340 N 0.62 4.45 -3.65 1.64 6.94 0.25 -4.84 115.26 120.68 1xpu n ASN 340 Ca -0.05 -3.19 -0.02 0.00 -0.02 0.00 0.00 54.58 51.30 1xpu n ASN 340 Cb 0.52 -0.75 -0.06 0.00 -2.36 0.00 0.00 39.78 37.13 1xpu n ASN 340 CO 0.00 0.00 0.00 -0.32 -1.03 0.00 0.00 177.26 175.91 1xpu s MET 341 N -2.84 0.30 0.02 -3.83 0.00 -1.03 -1.70 119.30 110.22 1xpu s MET 341 Ca 0.51 0.51 0.03 0.00 0.00 0.00 0.00 55.69 56.74 1xpu s MET 341 Cb 0.41 0.07 -0.02 0.00 0.00 0.00 0.00 34.83 35.30 1xpu s MET 341 CO 0.12 -0.06 -0.09 -1.83 0.00 0.00 0.00 175.02 173.16 1xpu s GLU 342 N 1.16 0.61 -0.10 4.11 -1.05 -0.33 -0.02 118.70 123.09 1xpu s GLU 342 Ca -0.08 -0.53 -0.02 0.00 -0.15 0.00 0.00 54.97 54.19 1xpu s GLU 342 Cb -0.03 -0.52 0.03 0.00 -0.44 0.00 0.00 34.13 33.17 1xpu s GLU 342 CO -0.13 0.13 0.01 -1.17 0.95 0.00 0.00 175.26 175.04 1xpu s LEU 343 N -0.88 0.70 -0.10 1.83 0.20 0.10 -1.14 118.68 119.38 1xpu s LEU 343 Ca -0.02 -0.23 -0.11 0.00 0.69 0.00 0.00 54.13 54.46 1xpu s LEU 343 Cb -0.06 -0.48 -0.05 0.00 -0.43 0.00 0.00 46.19 45.17 1xpu s LEU 343 CO 0.00 -0.21 0.26 -1.00 -0.29 0.00 0.00 176.35 175.11 1xpu s HIS 344 N 1.95 3.58 -0.15 5.38 3.76 -1.26 -0.28 115.29 128.26 1xpu s HIS 344 Ca 0.04 0.66 -0.05 0.00 -0.15 0.00 0.00 55.06 55.56 1xpu s HIS 344 Cb -0.13 -2.17 -0.04 0.00 1.11 0.00 0.00 32.58 31.35 1xpu s HIS 344 CO -0.06 0.53 0.03 -0.51 -0.85 0.00 0.00 174.74 173.88 1xpu s LEU 345 N -0.50 3.66 0.09 0.89 1.43 -0.31 -1.34 118.68 122.59 1xpu s LEU 345 Ca 0.17 0.06 -0.17 0.00 -1.03 0.00 0.00 54.13 53.16 1xpu s LEU 345 Cb -0.13 -1.90 -0.07 0.00 0.03 0.00 0.00 46.19 44.12 1xpu s LEU 345 CO 0.06 0.22 0.54 -0.55 0.23 0.00 0.00 176.35 176.85 1xpu s SER 346 N 0.07 6.93 0.51 2.29 0.15 0.10 -4.33 113.70 119.42 1xpu s SER 346 Ca 0.04 1.15 0.29 0.00 0.70 0.00 0.00 55.95 58.12 1xpu s SER 346 Cb -0.13 -2.32 1.19 0.00 -1.71 0.00 0.00 66.02 63.06 1xpu s SER 346 CO 0.01 0.22 1.93 -0.09 1.20 0.00 0.00 173.24 176.50 1xpu h ARG 347 N 4.18 0.00 0.06 5.44 2.43 -1.91 -3.24 114.38 121.33 1xpu h ARG 347 Ca -0.50 0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.31 1xpu h ARG 347 Cb 1.21 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.72 1xpu h ARG 347 CO 0.64 0.10 -2.07 1.63 -1.51 0.00 0.00 179.97 178.76 1xpu n LYS 348 N -3.25 0.68 0.31 0.20 4.76 -1.26 -2.69 118.16 116.91 1xpu n LYS 348 Ca 0.00 0.28 0.19 0.00 -2.87 0.00 0.00 58.31 55.91 1xpu n LYS 348 Cb 0.35 -1.64 1.02 0.00 -1.84 0.00 0.00 35.03 32.93 1xpu n LYS 348 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 1xpu h ILE 349 N -0.24 0.24 0.00 -0.18 2.04 -1.91 -2.91 117.51 114.56 1xpu h ILE 349 Ca -0.49 -0.11 -0.11 0.00 1.00 0.00 0.00 64.86 65.16 1xpu h ILE 349 Cb 1.83 1.08 -0.02 0.00 -0.74 0.00 0.00 36.82 38.98 1xpu h ILE 349 CO -0.07 0.02 -0.91 0.00 0.00 0.00 0.00 178.15 177.19 1xpu n ALA 350 N -2.19 0.63 0.93 1.87 0.00 -1.22 -3.45 120.51 117.09 1xpu n ALA 350 Ca -0.03 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.91 1xpu n ALA 350 Cb 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.38 1xpu n ALA 350 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1xpu n GLU 351 N -4.52 0.60 -0.55 0.00 1.02 -1.10 -1.50 120.64 114.60 1xpu n GLU 351 Ca -0.19 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 56.98 1xpu n GLU 351 Cb 0.46 -1.14 0.20 0.00 -0.02 0.00 0.00 31.44 30.95 1xpu n GLU 351 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1xpu n LYS 352 N -0.18 1.85 -3.70 3.49 4.81 -1.10 -4.97 118.16 118.35 1xpu n LYS 352 Ca 0.00 -3.04 -0.23 0.00 -0.87 0.00 0.00 58.31 54.17 1xpu n LYS 352 Cb 0.07 -1.71 0.03 0.00 0.02 0.00 0.00 35.03 33.44 1xpu n LYS 352 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1xpu n ARG 353 N -1.08 -4.18 -4.59 1.64 5.12 -0.56 -5.00 116.66 108.00 1xpu n ARG 353 Ca 0.24 0.59 -0.25 0.00 -1.93 0.00 0.00 57.85 56.50 1xpu n ARG 353 Cb 0.84 -5.02 -0.17 0.00 -1.16 0.00 0.00 32.46 26.96 1xpu n ARG 353 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1xpu s VAL 354 N -3.67 1.17 0.00 1.55 1.01 -1.20 -5.08 120.40 114.18 1xpu s VAL 354 Ca 0.07 -0.49 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1xpu s VAL 354 Cb -0.02 -1.07 0.00 0.00 0.00 0.00 0.00 36.38 35.29 1xpu s VAL 354 CO 0.82 0.36 0.00 0.49 0.00 0.00 0.00 175.10 176.78 1xpu n PHE 355 N 3.84 -2.46 0.00 5.22 3.72 -1.26 -4.12 117.46 122.40 1xpu n PHE 355 Ca -0.22 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.18 1xpu n PHE 355 Cb 0.52 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.06 1xpu n PHE 355 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1xpu n PRO 356 N -1.18 0.00 -0.12 -1.08 -0.04 -1.26 -4.56 135.00 126.76 1xpu n PRO 356 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1xpu n PRO 356 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1xpu n PRO 356 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xpu n ALA 357 N 0.00 2.12 -2.63 0.55 0.00 -1.26 -4.78 120.51 114.51 1xpu n ALA 357 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1xpu n ALA 357 Cb 0.00 -1.62 -0.02 0.00 0.00 0.00 0.00 19.45 17.81 1xpu n ALA 357 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xpu s ILE 358 N 1.35 4.50 -0.78 0.00 1.01 -1.26 -0.72 121.20 125.30 1xpu s ILE 358 Ca 0.00 1.68 -0.26 0.00 0.00 0.00 0.00 60.65 62.08 1xpu s ILE 358 Cb 0.00 -4.42 0.01 0.00 0.01 0.00 0.00 42.46 38.06 1xpu s ILE 358 CO 0.00 -0.50 1.59 -0.62 0.00 0.00 0.00 174.94 175.41 1xpu s ASP 359 N 1.70 5.79 0.13 3.58 -1.08 -0.45 -4.88 116.67 121.46 1xpu s ASP 359 Ca 0.45 -0.43 -0.25 0.00 -0.52 0.00 0.00 52.55 51.80 1xpu s ASP 359 Cb -0.12 -2.55 -0.03 0.00 -1.46 0.00 0.00 42.92 38.75 1xpu s ASP 359 CO 0.16 -2.08 1.63 0.22 0.52 0.00 0.00 175.17 175.62 1xpu h TYR 360 N 11.69 -0.73 -0.77 -5.34 3.20 -1.89 -2.55 116.97 120.58 1xpu h TYR 360 Ca -0.13 0.03 0.12 0.00 3.14 0.00 0.00 58.73 61.89 1xpu h TYR 360 Cb 1.07 0.33 -0.05 0.00 1.54 0.00 0.00 36.73 39.62 1xpu h TYR 360 CO 1.14 -0.36 0.51 -0.91 -1.64 0.00 0.00 178.16 176.90 1xpu h ASN 361 N -0.38 0.53 -0.05 -2.11 2.35 -1.94 -2.21 115.58 111.78 1xpu h ASN 361 Ca 0.08 0.02 -0.23 0.00 -0.55 0.00 0.00 56.30 55.62 1xpu h ASN 361 Cb 0.50 -0.09 0.02 0.00 0.05 0.00 0.00 38.32 38.80 1xpu h ASN 361 CO -0.27 0.30 -0.87 0.03 -1.65 0.00 0.00 177.43 174.96 1xpu h ARG 362 N 0.58 0.68 -6.97 0.81 3.08 -1.87 -3.46 114.38 107.24 1xpu h ARG 362 Ca 0.37 -0.66 -0.51 0.00 0.07 0.00 0.00 59.98 59.24 1xpu h ARG 362 Cb 0.64 0.17 0.07 0.00 0.08 0.00 0.00 29.97 30.93 1xpu h ARG 362 CO -0.14 1.26 0.53 -1.12 -1.07 0.00 0.00 179.97 179.43 1xpu s SER 363 N -7.12 6.31 0.00 7.04 0.01 -0.83 -4.80 113.70 114.31 1xpu s SER 363 Ca -0.11 2.42 0.00 0.00 1.31 0.00 0.00 55.95 59.57 1xpu s SER 363 Cb 0.07 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.68 1xpu s SER 363 CO 0.90 -0.83 0.00 0.61 0.41 0.00 0.00 173.24 174.33 1xpu n GLY 364 N 0.59 0.38 3.16 3.44 0.00 -0.29 -4.80 105.19 107.67 1xpu n GLY 364 Ca 0.05 -0.78 -0.22 0.00 0.00 0.00 0.00 46.02 45.07 1xpu n GLY 364 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1xpu s THR 365 N -2.00 1.24 0.22 2.61 -1.32 -1.26 -1.18 115.64 113.95 1xpu s THR 365 Ca 0.00 -0.91 -0.30 0.00 -1.21 0.00 0.00 61.69 59.27 1xpu s THR 365 Cb 0.00 -1.08 -0.09 0.00 -1.51 0.00 0.00 72.50 69.83 1xpu s THR 365 CO 0.00 0.16 1.05 -0.60 -2.21 0.00 0.00 174.62 173.01 1xpu s ARG 366 N -0.87 4.69 -1.00 7.08 3.52 -0.69 -3.99 118.95 127.69 1xpu s ARG 366 Ca 0.04 1.67 -0.09 0.00 -0.13 0.00 0.00 55.73 57.22 1xpu s ARG 366 Cb -0.07 -3.25 -0.03 0.00 -1.56 0.00 0.00 34.95 30.03 1xpu s ARG 366 CO 0.01 0.25 0.81 1.63 -0.81 0.00 0.00 175.30 177.19 1xpu n LYS 367 N 1.76 -1.67 0.21 5.12 4.76 -1.26 -4.91 118.16 122.17 1xpu n LYS 367 Ca 0.00 0.86 0.05 0.00 -2.87 0.00 0.00 58.31 56.35 1xpu n LYS 367 Cb 0.46 -5.03 0.46 0.00 -1.84 0.00 0.00 35.03 29.07 1xpu n LYS 367 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1xpu h GLU 368 N -0.96 0.00 -0.98 1.97 5.08 -1.98 -3.25 114.58 114.45 1xpu h GLU 368 Ca -0.50 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 57.90 1xpu h GLU 368 Cb 1.27 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.46 1xpu h GLU 368 CO 0.42 0.25 0.65 1.05 -1.00 0.00 0.00 179.01 180.38 1xpu h GLU 369 N 0.00 1.21 0.00 2.33 9.09 -1.91 -1.59 114.58 123.71 1xpu h GLU 369 Ca -0.00 -0.07 0.00 0.00 0.05 0.00 0.00 59.36 59.33 1xpu h GLU 369 Cb 0.46 -0.27 0.00 0.00 -1.65 0.00 0.00 28.75 27.29 1xpu h GLU 369 CO 0.03 0.80 0.00 -0.07 0.05 0.00 0.00 179.01 179.83 1xpu h LEU 370 N 1.25 0.00 -0.19 3.06 4.07 -1.85 -3.03 115.31 118.62 1xpu h LEU 370 Ca 0.39 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.35 1xpu h LEU 370 Cb -0.01 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.73 1xpu h LEU 370 CO -0.12 0.00 -0.41 0.18 -1.08 0.00 0.00 178.44 177.01 1xpu n LEU 371 N -2.88 0.71 -3.65 1.67 4.77 -0.63 -4.07 117.00 112.92 1xpu n LEU 371 Ca 0.03 -0.11 -0.06 0.00 -0.03 0.00 0.00 56.01 55.83 1xpu n LEU 371 Cb 0.39 -0.20 -0.07 0.00 -2.33 0.00 0.00 43.42 41.21 1xpu n LEU 371 CO 0.29 0.15 0.29 -0.89 -1.33 0.00 0.00 177.39 175.90 1xpu s THR 372 N -2.80 -0.20 0.75 -5.08 2.01 -1.04 -4.57 115.64 104.70 1xpu s THR 372 Ca 0.16 0.02 -0.15 0.00 0.31 0.00 0.00 61.69 62.03 1xpu s THR 372 Cb 0.18 -0.95 0.05 0.00 0.01 0.00 0.00 72.50 71.80 1xpu s THR 372 CO 0.63 0.01 1.22 0.42 -0.69 0.00 0.00 174.62 176.21 1xpu s THR 373 N 1.87 2.14 0.23 -0.82 -4.23 -1.26 -4.59 115.64 108.98 1xpu s THR 373 Ca -0.09 0.07 -0.06 0.00 -1.18 0.00 0.00 61.69 60.42 1xpu s THR 373 Cb -0.07 -2.64 0.18 0.00 1.34 0.00 0.00 72.50 71.31 1xpu s THR 373 CO -0.19 -0.04 1.78 1.56 -0.54 0.00 0.00 174.62 177.20 1xpu h GLN 374 N -0.41 0.60 -0.80 3.99 7.50 -1.97 1.02 115.11 125.04 1xpu h GLN 374 Ca -0.48 -0.04 0.02 0.00 0.50 0.00 0.00 58.65 58.66 1xpu h GLN 374 Cb 1.30 -0.14 -0.04 0.00 0.05 0.00 0.00 27.48 28.66 1xpu h GLN 374 CO 0.49 0.40 0.53 0.93 -1.50 0.00 0.00 178.83 179.67 1xpu h GLU 375 N 0.62 1.00 0.00 1.46 3.07 -1.99 0.21 114.58 118.95 1xpu h GLU 375 Ca 0.36 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 59.16 1xpu h GLU 375 Cb 0.38 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 1xpu h GLU 375 CO -0.27 0.66 -0.70 1.49 -1.40 0.00 0.00 179.01 178.79 1xpu h GLU 376 N 1.03 0.00 0.00 2.33 4.22 -1.44 -3.29 114.58 117.44 1xpu h GLU 376 Ca 0.30 0.00 -0.06 0.00 0.08 0.00 0.00 59.36 59.68 1xpu h GLU 376 Cb -0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1xpu h GLU 376 CO -0.08 0.00 -0.55 1.25 -2.18 0.00 0.00 179.01 177.46 1xpu h LEU 377 N 0.00 0.00 -2.48 1.64 5.85 0.18 -3.34 115.31 117.16 1xpu h LEU 377 Ca 0.00 -0.26 0.01 0.00 0.84 0.00 0.00 57.88 58.48 1xpu h LEU 377 Cb 0.86 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.89 1xpu h LEU 377 CO 0.00 0.93 0.07 1.56 -0.34 0.00 0.00 178.44 180.66 1xpu h GLN 378 N -1.00 0.00 -0.43 1.25 4.20 -0.83 0.18 115.11 118.48 1xpu h GLN 378 Ca -0.09 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.63 1xpu h GLN 378 Cb 0.68 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.44 1xpu h GLN 378 CO -0.06 0.00 0.29 -0.22 -0.67 0.00 0.00 178.83 178.17 1xpu h LYS 379 N 0.00 0.51 0.00 1.46 3.11 -1.69 -1.93 116.57 118.03 1xpu h LYS 379 Ca 0.02 -0.03 -0.09 0.00 -2.81 0.00 0.00 60.65 57.75 1xpu h LYS 379 Cb 0.15 -0.12 -0.01 0.00 -1.00 0.00 0.00 32.23 31.25 1xpu h LYS 379 CO -0.00 0.34 -0.86 0.52 -2.81 0.00 0.00 179.45 176.64 1xpu h MET 380 N 0.53 0.00 -0.02 1.90 2.86 -0.78 -3.27 114.93 116.16 1xpu h MET 380 Ca 0.17 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.78 1xpu h MET 380 Cb 0.02 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.68 1xpu h MET 380 CO -0.04 0.24 -0.09 -1.49 1.06 0.00 0.00 176.91 176.59 1xpu h TRP 381 N 0.00 0.13 -0.55 -0.22 6.55 -0.94 0.62 115.95 121.54 1xpu h TRP 381 Ca -0.06 -0.06 -0.02 0.00 0.95 0.00 0.00 58.89 59.71 1xpu h TRP 381 Cb 1.30 -0.02 -0.03 0.00 -0.86 0.00 0.00 29.16 29.56 1xpu h TRP 381 CO 0.00 0.73 0.26 0.82 -1.05 0.00 0.00 178.44 179.20 1xpu h ILE 382 N -0.50 1.18 -0.36 1.49 1.08 -1.60 -1.32 117.51 117.48 1xpu h ILE 382 Ca -0.00 -0.53 -0.03 0.00 -0.39 0.00 0.00 64.86 63.91 1xpu h ILE 382 Cb 0.74 0.49 -0.02 0.00 -3.07 0.00 0.00 36.82 34.96 1xpu h ILE 382 CO 0.02 0.22 0.10 0.25 -0.69 0.00 0.00 178.15 178.05 1xpu h LEU 383 N 0.77 0.54 -0.70 1.44 6.46 -1.59 -2.55 115.31 119.68 1xpu h LEU 383 Ca 0.19 -0.22 -0.06 0.00 -0.12 0.00 0.00 57.88 57.68 1xpu h LEU 383 Cb 0.09 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 39.85 1xpu h LEU 383 CO -0.02 0.61 0.20 0.03 -0.62 0.00 0.00 178.44 178.64 1xpu h ARG 384 N 0.44 1.10 -0.84 1.25 3.08 -0.55 -2.01 114.38 116.84 1xpu h ARG 384 Ca 0.12 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 59.92 1xpu h ARG 384 Cb 0.27 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.13 1xpu h ARG 384 CO -0.00 0.95 0.53 -0.22 -1.07 0.00 0.00 179.97 180.16 1xpu h LYS 385 N 1.03 1.12 0.00 0.04 3.64 -1.14 0.63 116.57 121.89 1xpu h LYS 385 Ca 0.22 -0.08 -0.14 0.00 -1.27 0.00 0.00 60.65 59.38 1xpu h LYS 385 Cb 0.32 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 1xpu h LYS 385 CO -0.00 0.76 -0.68 0.97 -2.27 0.00 0.00 179.45 178.23 1xpu h ILE 386 N 1.14 1.34 0.01 2.00 6.09 -1.38 -3.31 117.51 123.41 1xpu h ILE 386 Ca 0.30 -2.43 -0.27 0.00 -1.37 0.00 0.00 64.86 61.09 1xpu h ILE 386 Cb -0.09 2.36 -0.04 0.00 0.47 0.00 0.00 36.82 39.52 1xpu h ILE 386 CO -0.06 0.66 -1.52 0.40 -3.07 0.00 0.00 178.15 174.56 1xpu h ILE 387 N 0.00 1.09 -0.73 2.19 2.04 -0.85 -3.41 117.51 117.84 1xpu h ILE 387 Ca -0.01 -2.89 0.07 0.00 1.00 0.00 0.00 64.86 63.03 1xpu h ILE 387 Cb 1.31 2.56 -0.09 0.00 -0.74 0.00 0.00 36.82 39.86 1xpu h ILE 387 CO 0.09 0.66 -0.43 1.57 0.00 0.00 0.00 178.15 180.03 1xpu n HIS 388 N -3.17 -0.32 0.79 1.37 -0.00 0.22 -0.65 115.22 113.45 1xpu n HIS 388 Ca -0.13 0.91 0.11 0.00 0.46 0.00 0.00 57.72 59.07 1xpu n HIS 388 Cb 1.02 -0.55 0.48 0.00 -0.12 0.00 0.00 29.99 30.82 1xpu n HIS 388 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 1xpu n PRO 389 N -4.70 0.04 -2.21 1.57 -0.02 -1.26 -4.76 135.00 123.66 1xpu n PRO 389 Ca 0.01 0.12 -0.41 0.00 -2.02 0.00 0.00 63.50 61.21 1xpu n PRO 389 Cb 0.19 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 32.14 1xpu n PRO 389 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 1xpu s MET 390 N -2.95 4.42 1.40 -0.52 1.75 0.18 -5.01 119.30 118.57 1xpu s MET 390 Ca 0.12 2.10 -0.23 0.00 -1.25 0.00 0.00 55.69 56.42 1xpu s MET 390 Cb 0.14 -3.12 0.36 0.00 2.84 0.00 0.00 34.83 35.05 1xpu s MET 390 CO 0.39 -0.12 0.93 0.41 -0.65 0.00 0.00 175.02 175.99 1xpu n GLY 391 N 1.21 -3.61 0.18 2.11 0.00 -1.26 -4.58 105.19 99.23 1xpu n GLY 391 Ca 0.01 -1.35 -0.07 0.00 0.00 0.00 0.00 46.02 44.61 1xpu n GLY 391 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xpu h GLU 392 N 0.00 -0.44 -0.04 1.61 5.08 -1.97 -1.22 114.58 117.60 1xpu h GLU 392 Ca -0.40 0.03 -0.17 0.00 -1.00 0.00 0.00 59.36 57.82 1xpu h GLU 392 Cb 1.30 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.64 1xpu h GLU 392 CO 0.25 -0.29 -0.72 0.82 -1.00 0.00 0.00 179.01 178.06 1xpu h ILE 393 N -0.46 1.43 -0.83 3.13 2.04 -1.95 -3.23 117.51 117.64 1xpu h ILE 393 Ca -0.05 -2.24 -0.04 0.00 1.00 0.00 0.00 64.86 63.54 1xpu h ILE 393 Cb 0.35 2.19 -0.04 0.00 -0.74 0.00 0.00 36.82 38.58 1xpu h ILE 393 CO 0.08 0.66 0.38 0.44 0.00 0.00 0.00 178.15 179.70 1xpu h ASP 394 N 0.16 1.10 0.69 1.72 3.32 -1.93 -3.05 116.42 118.44 1xpu h ASP 394 Ca -0.02 -0.15 -0.13 0.00 0.02 0.00 0.00 57.03 56.75 1xpu h ASP 394 Cb 1.28 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.53 1xpu h ASP 394 CO 0.11 0.95 -0.60 0.00 -1.72 0.00 0.00 179.24 177.97 1xpu h ALA 395 N 1.20 0.94 0.28 3.45 0.00 -1.23 -3.23 119.26 120.66 1xpu h ALA 395 Ca 0.28 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1xpu h ALA 395 Cb 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1xpu h ALA 395 CO -0.03 0.75 -0.14 1.98 0.00 0.00 0.00 179.25 181.82 1xpu h MET 396 N 0.00 -0.36 -0.05 0.00 1.85 -1.55 -3.04 114.93 111.77 1xpu h MET 396 Ca -0.01 0.02 0.01 0.00 -0.61 0.00 0.00 59.70 59.12 1xpu h MET 396 Cb 1.11 0.08 -0.00 0.00 0.43 0.00 0.00 31.60 33.22 1xpu h MET 396 CO 0.08 -0.04 0.14 0.93 -0.40 0.00 0.00 176.91 177.62 1xpu h GLU 397 N -0.96 0.00 -0.22 0.39 5.08 -1.67 0.96 114.58 118.16 1xpu h GLU 397 Ca -0.04 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1xpu h GLU 397 Cb 0.49 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1xpu h GLU 397 CO 0.06 0.00 -0.10 0.35 -1.00 0.00 0.00 179.01 178.32 1xpu h PHE 398 N 0.00 0.52 -0.09 4.33 3.57 -1.57 -2.87 116.94 120.84 1xpu h PHE 398 Ca 0.02 -0.13 -0.17 0.00 3.53 0.00 0.00 57.97 61.22 1xpu h PHE 398 Cb 0.31 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 1xpu h PHE 398 CO 0.00 0.73 -0.68 -0.07 -2.23 0.00 0.00 178.31 176.07 1xpu h LEU 399 N 0.16 0.44 -1.31 0.59 3.38 -0.77 -1.50 115.31 116.30 1xpu h LEU 399 Ca 0.05 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1xpu h LEU 399 Cb 0.59 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 1xpu h LEU 399 CO 0.03 0.99 0.35 0.40 0.09 0.00 0.00 178.44 180.30 1xpu h ILE 400 N 0.27 1.17 0.00 1.22 2.04 -1.17 -1.94 117.51 119.10 1xpu h ILE 400 Ca -0.02 -0.41 -0.18 0.00 1.00 0.00 0.00 64.86 65.25 1xpu h ILE 400 Cb 1.23 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 1xpu h ILE 400 CO 0.11 0.19 -1.53 0.59 0.00 0.00 0.00 178.15 177.51 1xpu n ASN 401 N -4.40 0.76 0.22 1.72 4.13 -1.09 -2.34 115.26 114.26 1xpu n ASN 401 Ca 0.06 0.34 0.11 0.00 1.68 0.00 0.00 54.58 56.77 1xpu n ASN 401 Cb 0.08 0.29 0.29 0.00 -1.54 0.00 0.00 39.78 38.90 1xpu n ASN 401 CO 0.00 0.00 0.00 0.11 0.28 0.00 0.00 177.26 177.65 1xpu h LYS 402 N 0.00 0.00 0.00 3.52 1.79 -1.18 -3.34 116.57 117.36 1xpu h LYS 402 Ca -0.19 0.00 -0.37 0.00 -2.18 0.00 0.00 60.65 57.90 1xpu h LYS 402 Cb 1.64 0.00 -0.07 0.00 -1.58 0.00 0.00 32.23 32.22 1xpu h LYS 402 CO 0.04 0.10 -2.41 1.28 -1.08 0.00 0.00 179.45 177.39 1xpu n LEU 403 N -3.15 1.00 -0.24 2.94 4.77 -0.74 -4.26 117.00 117.33 1xpu n LEU 403 Ca 0.03 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1xpu n LEU 403 Cb 0.50 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 1xpu n LEU 403 CO 0.33 0.64 0.13 0.00 -1.33 0.00 0.00 177.39 177.17 1xpu n ALA 404 N -2.92 1.68 -0.45 -1.18 0.00 -0.99 -1.63 120.51 115.03 1xpu n ALA 404 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1xpu n ALA 404 Cb 1.10 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.55 1xpu n ALA 404 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1xpu n MET 405 N -0.10 1.74 -0.81 0.00 2.81 -1.26 -5.05 117.12 114.44 1xpu n MET 405 Ca 0.00 -1.14 0.00 0.00 -1.81 0.00 0.00 57.70 54.75 1xpu n MET 405 Cb 0.04 -0.81 0.00 0.00 -0.71 0.00 0.00 33.22 31.74 1xpu n MET 405 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1xpu n THR 406 N -0.32 0.00 0.00 2.03 -2.24 -0.64 -5.09 114.28 108.02 1xpu n THR 406 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1xpu n THR 406 Cb 0.37 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.60 1xpu n THR 406 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1xpu n LYS 407 N 0.00 0.00 0.11 -0.78 3.00 -1.26 -5.01 118.16 114.22 1xpu n LYS 407 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1xpu n LYS 407 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 1xpu n LYS 407 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1xpu n THR 408 N 0.00 0.00 0.14 3.15 -1.04 -1.26 -4.89 114.28 110.38 1xpu n THR 408 Ca 0.00 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1xpu n THR 408 Cb 0.00 -0.42 0.24 0.00 -1.82 0.00 0.00 70.33 68.33 1xpu n THR 408 CO 0.00 0.00 0.00 -1.13 -0.64 0.00 0.00 175.07 173.30 1xpu h ASN 409 N 0.00 0.07 0.00 8.00 -0.73 -2.02 -2.99 115.58 117.91 1xpu h ASN 409 Ca 0.00 -0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.14 1xpu h ASN 409 Cb 0.00 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 38.57 1xpu h ASN 409 CO 0.00 0.55 0.02 0.47 -0.37 0.00 0.00 177.43 178.11 1xpu n ASP 410 N -3.95 0.20 0.37 1.15 8.00 -1.26 -3.65 116.55 117.41 1xpu n ASP 410 Ca -0.02 0.58 -0.19 0.00 0.71 0.00 0.00 54.79 55.87 1xpu n ASP 410 Cb 0.52 -0.60 -0.10 0.00 -0.02 0.00 0.00 41.12 40.92 1xpu n ASP 410 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 1xpu h ASP 411 N 0.00 -1.30 -0.24 -2.24 5.19 -1.89 0.45 116.42 116.40 1xpu h ASP 411 Ca 0.00 0.09 -0.14 0.00 -0.62 0.00 0.00 57.03 56.36 1xpu h ASP 411 Cb 0.05 0.40 -0.01 0.00 0.18 0.00 0.00 39.33 39.95 1xpu h ASP 411 CO 0.00 -0.71 -0.36 0.15 -3.12 0.00 0.00 179.24 175.20 1xpu h PHE 412 N -1.11 0.91 0.00 4.55 3.57 -1.84 0.81 116.94 123.83 1xpu h PHE 412 Ca -0.09 -0.26 0.00 0.00 3.53 0.00 0.00 57.97 61.16 1xpu h PHE 412 Cb 0.92 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.46 1xpu h PHE 412 CO -0.17 1.01 0.02 0.74 -2.23 0.00 0.00 178.31 177.69 1xpu h PHE 413 N 0.64 0.00 0.00 0.41 0.04 -1.58 -3.30 116.94 113.16 1xpu h PHE 413 Ca 0.06 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.83 1xpu h PHE 413 Cb 0.90 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.05 1xpu h PHE 413 CO 0.05 0.00 0.00 -1.91 -0.60 0.00 0.00 178.31 175.85 1xpu n GLU 414 N -2.63 0.00 -1.05 1.51 2.13 0.16 -4.85 120.64 115.91 1xpu n GLU 414 Ca -0.02 -0.11 -0.09 0.00 0.66 0.00 0.00 57.16 57.60 1xpu n GLU 414 Cb 0.07 -0.29 0.16 0.00 0.27 0.00 0.00 31.44 31.65 1xpu n GLU 414 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 1xpu n MET 415 N 0.00 2.18 -0.02 5.31 2.81 0.28 -4.54 117.12 123.15 1xpu n MET 415 Ca 0.00 -3.40 -0.01 0.00 -1.81 0.00 0.00 57.70 52.47 1xpu n MET 415 Cb 0.35 -1.91 -0.05 0.00 -0.71 0.00 0.00 33.22 30.90 1xpu n MET 415 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1xpu n MET 416 N -1.04 2.18 -0.59 0.03 0.00 -1.25 -4.90 117.12 111.55 1xpu n MET 416 Ca 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 57.70 58.04 1xpu n MET 416 Cb 0.95 -1.17 0.00 0.00 0.00 0.00 0.00 33.22 33.00 1xpu n MET 416 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60