#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 7.07 0.05 3.17 3.84 -1.26 -4.29 114.94 123.52 1xpu s ASN 2 Ca 0.00 2.42 -0.20 0.00 0.21 0.00 0.00 52.86 55.28 1xpu s ASN 2 Cb 0.00 -2.63 -0.13 0.00 -0.55 0.00 0.00 41.25 37.94 1xpu s ASN 2 CO 0.00 -0.31 1.41 0.25 -2.79 0.00 0.00 177.10 175.66 1xpu h LEU 3 N 3.84 0.34 -0.61 3.21 5.85 -1.95 -2.40 115.31 123.59 1xpu h LEU 3 Ca -0.47 -0.41 0.00 0.00 0.84 0.00 0.00 57.88 57.84 1xpu h LEU 3 Cb 1.22 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.15 1xpu h LEU 3 CO 0.67 0.67 0.00 0.41 -0.34 0.00 0.00 178.44 179.86 1xpu n THR 4 N -4.63 0.90 -0.02 1.05 -1.04 -1.26 -2.56 114.28 106.72 1xpu n THR 4 Ca -0.05 0.28 -0.18 0.00 -2.04 0.00 0.00 64.05 62.06 1xpu n THR 4 Cb 0.30 -1.18 -0.14 0.00 -1.82 0.00 0.00 70.33 67.48 1xpu n THR 4 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1xpu n GLU 5 N -2.09 0.72 -0.15 -2.82 1.02 -1.16 -3.53 120.64 112.63 1xpu n GLU 5 Ca 0.02 0.25 -0.08 0.00 -0.02 0.00 0.00 57.16 57.33 1xpu n GLU 5 Cb 0.20 -1.70 0.01 0.00 -0.02 0.00 0.00 31.44 29.93 1xpu n GLU 5 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 1xpu h LEU 6 N 0.05 0.55 -0.71 -4.62 3.38 -1.15 -2.72 115.31 110.09 1xpu h LEU 6 Ca -0.42 -0.07 -0.13 0.00 0.09 0.00 0.00 57.88 57.36 1xpu h LEU 6 Cb 2.02 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 42.62 1xpu h LEU 6 CO 0.06 0.46 -0.61 0.07 0.09 0.00 0.00 178.44 178.52 1xpu h LYS 7 N 0.60 0.00 -0.20 1.13 2.10 -1.69 -2.94 116.57 115.57 1xpu h LYS 7 Ca 0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.81 1xpu h LYS 7 Cb 0.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.34 1xpu h LYS 7 CO -0.03 0.61 0.00 0.09 -2.00 0.00 0.00 179.45 178.12 1xpu n ASN 8 N -3.70 1.51 -4.84 7.07 3.02 -1.17 -4.76 115.26 112.39 1xpu n ASN 8 Ca -0.01 -1.79 -0.37 0.00 -0.03 0.00 0.00 54.58 52.39 1xpu n ASN 8 Cb 0.63 -0.13 -0.07 0.00 -0.61 0.00 0.00 39.78 39.60 1xpu n ASN 8 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1xpu s THR 9 N -1.73 5.26 0.57 3.41 -4.23 -1.03 -5.05 115.64 112.82 1xpu s THR 9 Ca 0.28 0.11 -0.18 0.00 -1.18 0.00 0.00 61.69 60.72 1xpu s THR 9 Cb 0.15 -3.28 -0.09 0.00 1.34 0.00 0.00 72.50 70.62 1xpu s THR 9 CO 0.21 0.61 0.52 -2.65 -0.54 0.00 0.00 174.62 172.77 1xpu n PRO 10 N 2.00 0.50 0.06 3.99 -0.02 -1.26 -4.75 135.00 135.52 1xpu n PRO 10 Ca -0.20 0.20 0.05 0.00 -2.02 0.00 0.00 63.50 61.53 1xpu n PRO 10 Cb 0.55 -1.69 0.48 0.00 -0.02 0.00 0.00 33.50 32.82 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 0.24 1.07 -0.56 -1.45 2.07 -1.93 -2.43 116.25 113.25 1xpu h VAL 11 Ca -0.45 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 1xpu h VAL 11 Cb 1.40 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 1xpu h VAL 11 CO 0.47 0.08 0.30 0.77 0.02 0.00 0.00 177.57 179.21 1xpu h SER 12 N 0.41 0.71 -0.18 0.57 4.64 -2.00 -1.29 113.55 116.40 1xpu h SER 12 Ca 0.12 -0.10 -0.09 0.00 -0.47 0.00 0.00 61.79 61.25 1xpu h SER 12 Cb -0.03 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 61.87 1xpu h SER 12 CO -0.03 0.60 -0.17 -0.33 -0.87 0.00 0.00 176.83 176.04 1xpu h GLU 13 N 0.76 0.60 -0.52 4.77 5.08 -1.80 -2.97 114.58 120.50 1xpu h GLU 13 Ca 0.20 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 1xpu h GLU 13 Cb 0.06 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1xpu h GLU 13 CO -0.03 0.74 0.14 -0.07 -1.00 0.00 0.00 179.01 178.79 1xpu h LEU 14 N 0.54 0.72 -1.00 1.33 3.38 -1.07 -1.52 115.31 117.70 1xpu h LEU 14 Ca 0.09 -0.12 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1xpu h LEU 14 Cb 0.59 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1xpu h LEU 14 CO 0.04 0.70 -0.18 0.40 0.09 0.00 0.00 178.44 179.49 1xpu h ILE 15 N 0.76 1.25 0.37 1.22 2.04 -1.10 -2.22 117.51 119.82 1xpu h ILE 15 Ca 0.17 -1.14 -0.02 0.00 1.00 0.00 0.00 64.86 64.87 1xpu h ILE 15 Cb 0.25 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.56 1xpu h ILE 15 CO -0.01 0.37 -0.18 0.74 0.00 0.00 0.00 178.15 179.08 1xpu h THR 16 N 0.46 0.45 -0.82 -0.27 2.02 -1.34 -2.85 112.91 110.56 1xpu h THR 16 Ca 0.08 -0.67 0.20 0.00 0.77 0.00 0.00 66.41 66.78 1xpu h THR 16 Cb 0.58 0.69 -0.05 0.00 -1.74 0.00 0.00 68.15 67.63 1xpu h THR 16 CO 0.04 0.09 0.56 -0.07 0.37 0.00 0.00 175.52 176.51 1xpu h LEU 17 N -0.96 0.27 0.18 2.58 3.38 -1.30 0.48 115.31 119.93 1xpu h LEU 17 Ca -0.05 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1xpu h LEU 17 Cb 0.53 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1xpu h LEU 17 CO 0.08 0.12 -0.09 1.23 0.09 0.00 0.00 178.44 179.87 1xpu h GLY 18 N 0.27 -0.25 2.00 0.83 0.00 -1.43 -3.19 103.07 101.30 1xpu h GLY 18 Ca 0.41 0.09 -0.09 0.00 0.00 0.00 0.00 47.33 47.74 1xpu h GLY 18 CO -0.11 -0.09 -0.44 0.83 0.00 0.00 0.00 176.54 176.73 1xpu h GLU 19 N -0.45 0.00 0.00 4.80 5.08 -0.90 -1.77 114.58 121.34 1xpu h GLU 19 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1xpu h GLU 19 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1xpu h GLU 19 CO 0.04 0.44 0.00 0.09 -1.00 0.00 0.00 179.01 178.58 1xpu n ASN 20 N -3.96 0.00 -0.18 1.42 3.02 0.15 -1.30 115.26 114.41 1xpu n ASN 20 Ca -0.02 -0.41 0.04 0.00 -0.03 0.00 0.00 54.58 54.17 1xpu n ASN 20 Cb 0.47 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.70 1xpu n ASN 20 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 1xpu n MET 21 N -0.71 1.00 -1.12 3.52 2.81 -0.68 -4.99 117.12 116.95 1xpu n MET 21 Ca 0.03 -1.61 -0.04 0.00 -1.81 0.00 0.00 57.70 54.26 1xpu n MET 21 Cb 0.01 -0.96 -0.02 0.00 -0.71 0.00 0.00 33.22 31.54 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 -0.63 0.69 3.75 3.03 0.00 -0.42 -5.02 105.19 106.60 1xpu n GLY 22 Ca 0.06 -0.68 -0.40 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.91 4.59 0.00 0.99 1.43 -1.12 -5.01 118.68 118.65 1xpu s LEU 23 Ca 0.00 1.80 0.00 0.00 -1.03 0.00 0.00 54.13 54.90 1xpu s LEU 23 Cb 0.00 -3.49 0.00 0.00 0.03 0.00 0.00 46.19 42.73 1xpu s LEU 23 CO 0.00 0.12 0.00 -0.62 0.23 0.00 0.00 176.35 176.08 1xpu n GLU 24 N 1.85 0.00 -1.97 1.70 1.02 -1.26 -4.32 120.64 117.67 1xpu n GLU 24 Ca -0.02 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.78 1xpu n GLU 24 Cb 0.48 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.86 1xpu n GLU 24 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1xpu s ASN 25 N -1.00 5.07 0.00 1.62 0.01 -1.26 -4.52 114.94 114.87 1xpu s ASN 25 Ca 0.00 0.13 0.00 0.00 -0.71 0.00 0.00 52.86 52.28 1xpu s ASN 25 Cb 0.00 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.12 1xpu s ASN 25 CO 0.00 -2.61 0.00 0.00 -1.51 0.00 0.00 177.10 172.98 1xpu n LEU 26 N 13.74 0.00 0.00 0.60 -0.00 -1.26 -4.86 117.00 125.22 1xpu n LEU 26 Ca 0.29 0.00 0.07 0.00 -0.00 0.00 0.00 56.01 56.37 1xpu n LEU 26 Cb 0.51 0.00 0.39 0.00 -0.00 0.00 0.00 43.42 44.31 1xpu n LEU 26 CO 0.67 0.03 0.64 0.00 -0.00 0.00 0.00 177.39 178.73 1xpu n ALA 27 N 0.00 1.93 -0.19 1.47 0.00 -1.26 -2.23 120.51 120.23 1xpu n ALA 27 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1xpu n ALA 27 Cb 0.15 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.38 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 -1.10 -0.23 -1.49 0.00 0.63 -1.26 -5.06 116.66 108.15 1xpu n ARG 28 Ca 0.09 -0.57 -0.30 0.00 -0.92 0.00 0.00 57.85 56.15 1xpu n ARG 28 Cb 0.07 -0.90 0.10 0.00 0.45 0.00 0.00 32.46 32.17 1xpu n ARG 28 CO 0.00 0.00 0.00 -1.64 -2.51 0.00 0.00 177.63 173.48 1xpu s MET 29 N -0.15 1.94 0.48 -0.14 -1.94 -0.94 -5.04 119.30 113.51 1xpu s MET 29 Ca 0.00 0.67 -0.20 0.00 -1.71 0.00 0.00 55.69 54.45 1xpu s MET 29 Cb 0.00 -1.90 -0.08 0.00 2.01 0.00 0.00 34.83 34.86 1xpu s MET 29 CO 0.00 -1.73 1.05 1.03 -0.01 0.00 0.00 175.02 175.36 1xpu s ARG 30 N -5.12 3.79 0.26 2.03 0.52 -1.26 -4.91 118.95 114.26 1xpu s ARG 30 Ca 0.61 1.40 -0.03 0.00 -0.52 0.00 0.00 55.73 57.19 1xpu s ARG 30 Cb -0.15 -2.13 0.53 0.00 0.52 0.00 0.00 34.95 33.72 1xpu s ARG 30 CO 0.55 -0.45 1.67 -0.22 0.02 0.00 0.00 175.30 176.87 1xpu h LYS 31 N 1.61 0.24 -0.72 3.54 3.64 -1.98 -0.91 116.57 121.99 1xpu h LYS 31 Ca -0.49 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 58.83 1xpu h LYS 31 Cb 1.22 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.96 1xpu h LYS 31 CO 0.59 0.16 0.30 1.96 -2.27 0.00 0.00 179.45 180.19 1xpu h GLN 32 N 0.24 1.06 0.00 1.90 7.50 -1.99 -1.87 115.11 121.96 1xpu h GLN 32 Ca 0.45 -0.17 -0.07 0.00 0.50 0.00 0.00 58.65 59.36 1xpu h GLN 32 Cb 0.82 -0.18 -0.01 0.00 0.05 0.00 0.00 27.48 28.16 1xpu h GLN 32 CO -0.56 0.85 -0.31 -0.44 -1.50 0.00 0.00 178.83 176.87 1xpu h ASP 33 N 1.04 0.00 0.02 1.46 3.32 -1.56 -2.46 116.42 118.25 1xpu h ASP 33 Ca 0.25 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.29 1xpu h ASP 33 Cb 0.18 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.73 1xpu h ASP 33 CO -0.02 0.31 -0.01 0.40 -1.72 0.00 0.00 179.24 178.20 1xpu h ILE 34 N 0.00 1.45 0.00 0.35 2.04 -0.87 0.64 117.51 121.11 1xpu h ILE 34 Ca -0.00 -1.70 -0.00 0.00 1.00 0.00 0.00 64.86 64.16 1xpu h ILE 34 Cb 0.74 2.55 -0.00 0.00 -0.74 0.00 0.00 36.82 39.37 1xpu h ILE 34 CO 0.04 0.42 -0.01 0.40 0.00 0.00 0.00 178.15 179.00 1xpu h ILE 35 N -0.80 0.10 0.00 -0.67 2.04 -1.37 0.34 117.51 117.15 1xpu h ILE 35 Ca -0.00 -0.08 -0.09 0.00 1.00 0.00 0.00 64.86 65.69 1xpu h ILE 35 Cb 0.71 1.07 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 1xpu h ILE 35 CO 0.01 0.01 -0.54 0.15 0.00 0.00 0.00 178.15 177.77 1xpu h PHE 36 N 0.00 0.00 -0.21 1.37 3.57 -1.45 -3.23 116.94 116.99 1xpu h PHE 36 Ca -0.00 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.46 1xpu h PHE 36 Cb 0.07 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1xpu h PHE 36 CO 0.00 0.89 -0.04 0.00 -2.23 0.00 0.00 178.31 176.93 1xpu h ALA 37 N -0.47 1.54 -0.54 2.41 0.00 -0.42 0.12 119.26 121.91 1xpu h ALA 37 Ca -0.13 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1xpu h ALA 37 Cb 0.90 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1xpu h ALA 37 CO -0.08 0.33 0.19 0.82 0.00 0.00 0.00 179.25 180.51 1xpu h ILE 38 N 0.31 1.23 0.00 0.00 2.04 -0.53 -2.66 117.51 117.89 1xpu h ILE 38 Ca 0.07 -0.76 -0.13 0.00 1.00 0.00 0.00 64.86 65.04 1xpu h ILE 38 Cb 0.28 0.70 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1xpu h ILE 38 CO 0.01 0.28 -0.64 -0.07 0.00 0.00 0.00 178.15 177.73 1xpu h LEU 39 N 0.75 0.00 -0.76 1.44 3.38 -1.23 -1.46 115.31 117.43 1xpu h LEU 39 Ca 0.18 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.04 1xpu h LEU 39 Cb 0.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1xpu h LEU 39 CO -0.01 0.64 -0.20 0.50 0.09 0.00 0.00 178.44 179.46 1xpu h LYS 40 N 0.00 0.73 0.00 1.13 3.11 -0.82 -2.06 116.57 118.66 1xpu h LYS 40 Ca -0.01 -0.28 0.00 0.00 -2.81 0.00 0.00 60.65 57.56 1xpu h LYS 40 Cb 1.21 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 32.40 1xpu h LYS 40 CO 0.08 0.87 0.00 1.04 -2.81 0.00 0.00 179.45 178.64 1xpu n GLN 41 N -4.12 0.01 -0.08 1.90 1.13 -1.01 -2.46 117.38 112.75 1xpu n GLN 41 Ca 0.00 0.12 0.08 0.00 -1.94 0.00 0.00 57.00 55.27 1xpu n GLN 41 Cb 0.41 -1.51 0.31 0.00 0.11 0.00 0.00 30.24 29.56 1xpu n GLN 41 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 1xpu n HIS 42 N -1.52 0.22 -0.16 1.08 -0.00 -0.58 -4.07 115.22 110.18 1xpu n HIS 42 Ca 0.05 -0.11 0.00 0.00 0.46 0.00 0.00 57.72 58.12 1xpu n HIS 42 Cb 0.26 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.13 1xpu n HIS 42 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1xpu n ALA 43 N 0.08 2.76 0.45 1.57 0.00 -1.03 -2.93 120.51 121.42 1xpu n ALA 43 Ca 0.13 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.61 1xpu n ALA 43 Cb 0.23 -1.39 -0.05 0.00 0.00 0.00 0.00 19.45 18.25 1xpu n ALA 43 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1xpu n LYS 44 N 1.59 3.75 -3.48 0.00 0.00 -1.26 -4.90 118.16 113.86 1xpu n LYS 44 Ca 0.00 -0.04 -0.14 0.00 0.00 0.00 0.00 58.31 58.13 1xpu n LYS 44 Cb 0.28 -0.96 -0.11 0.00 0.00 0.00 0.00 35.03 34.23 1xpu n LYS 44 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1xpu s SER 45 N -1.86 0.82 0.15 3.14 0.15 -1.15 -5.14 113.70 109.81 1xpu s SER 45 Ca 0.04 0.08 -0.31 0.00 0.70 0.00 0.00 55.95 56.46 1xpu s SER 45 Cb 0.07 0.68 -0.08 0.00 -1.71 0.00 0.00 66.02 64.98 1xpu s SER 45 CO 0.38 -0.30 1.33 -0.83 1.20 0.00 0.00 173.24 175.02 1xpu s GLY 46 N 2.41 2.27 -0.02 9.45 0.00 -1.26 -3.19 107.32 116.98 1xpu s GLY 46 Ca 0.07 1.08 0.00 0.00 0.00 0.00 0.00 44.72 45.87 1xpu s GLY 46 CO -0.13 2.17 0.00 -2.21 0.00 0.00 0.00 173.10 172.93 1xpu n GLU 47 N 3.28 -0.27 -1.42 2.90 2.13 -1.26 -4.92 120.64 121.09 1xpu n GLU 47 Ca 0.08 0.10 -0.28 0.00 0.66 0.00 0.00 57.16 57.72 1xpu n GLU 47 Cb 0.43 -3.33 0.09 0.00 0.27 0.00 0.00 31.44 28.90 1xpu n GLU 47 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 1xpu n ASP 48 N -0.03 6.12 -3.66 4.31 -0.08 -1.19 -4.84 116.55 117.19 1xpu n ASP 48 Ca -0.00 -3.76 -0.29 0.00 -1.51 0.00 0.00 54.79 49.22 1xpu n ASP 48 Cb 0.07 -0.79 -0.13 0.00 2.34 0.00 0.00 41.12 42.61 1xpu n ASP 48 CO 0.00 0.00 0.00 0.27 0.12 0.00 0.00 177.20 177.59 1xpu s ILE 49 N -4.44 0.99 0.56 5.18 -4.36 -1.26 -4.64 121.20 113.22 1xpu s ILE 49 Ca 0.59 -2.10 -0.09 0.00 -0.26 0.00 0.00 60.65 58.79 1xpu s ILE 49 Cb 0.48 -1.71 0.13 0.00 1.25 0.00 0.00 42.46 42.61 1xpu s ILE 49 CO 0.02 -0.87 0.67 0.49 0.24 0.00 0.00 174.94 175.48 1xpu n PHE 50 N 3.95 -3.83 0.00 1.37 3.72 -1.26 -2.54 117.46 118.87 1xpu n PHE 50 Ca 0.07 -0.59 0.00 0.00 -0.05 0.00 0.00 57.45 56.88 1xpu n PHE 50 Cb 0.37 -0.56 0.00 0.00 -0.94 0.00 0.00 39.48 38.34 1xpu n PHE 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1xpu n GLY 51 N -0.15 2.40 1.24 1.37 0.00 -1.15 -3.53 105.19 105.36 1xpu n GLY 51 Ca 0.09 0.09 -0.06 0.00 0.00 0.00 0.00 46.02 46.13 1xpu n GLY 51 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1xpu n ASP 52 N 0.00 0.74 0.00 1.61 5.75 -1.26 -3.52 116.55 119.87 1xpu n ASP 52 Ca 0.00 -1.50 0.00 0.00 -0.01 0.00 0.00 54.79 53.28 1xpu n ASP 52 Cb 0.00 -0.13 0.00 0.00 -1.03 0.00 0.00 41.12 39.96 1xpu n ASP 52 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xpu n GLY 53 N 2.77 -0.03 3.50 6.12 0.00 -0.71 -4.83 105.19 112.02 1xpu n GLY 53 Ca 0.05 -1.22 -0.34 0.00 0.00 0.00 0.00 46.02 44.51 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 3.81 0.23 1.61 1.01 -0.89 -0.32 120.40 123.85 1xpu s VAL 54 Ca 0.00 -0.40 -0.30 0.00 0.00 0.00 0.00 61.98 61.29 1xpu s VAL 54 Cb 0.00 -2.65 -0.09 0.00 0.00 0.00 0.00 36.38 33.64 1xpu s VAL 54 CO 0.00 0.51 1.06 -0.22 0.00 0.00 0.00 175.10 176.45 1xpu s LEU 55 N 0.20 4.55 -0.26 3.92 2.96 0.80 0.66 118.68 131.51 1xpu s LEU 55 Ca -0.03 2.13 -0.02 0.00 -0.22 0.00 0.00 54.13 56.00 1xpu s LEU 55 Cb -0.14 -3.61 0.08 0.00 0.50 0.00 0.00 46.19 43.02 1xpu s LEU 55 CO 0.03 -0.10 0.06 -0.70 -1.32 0.00 0.00 176.35 174.32 1xpu s GLU 56 N -1.00 0.70 -0.04 1.98 2.12 0.43 -1.24 118.70 121.65 1xpu s GLU 56 Ca 0.45 -0.75 -0.30 0.00 0.36 0.00 0.00 54.97 54.73 1xpu s GLU 56 Cb -0.30 -2.01 -0.03 0.00 0.26 0.00 0.00 34.13 32.06 1xpu s GLU 56 CO 0.37 -0.82 1.04 0.42 -0.54 0.00 0.00 175.26 175.72 1xpu s ILE 57 N 1.74 4.68 0.00 -3.70 1.01 -1.26 -2.01 121.20 121.66 1xpu s ILE 57 Ca 0.04 1.94 0.00 0.00 0.00 0.00 0.00 60.65 62.63 1xpu s ILE 57 Cb -0.17 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 38.05 1xpu s ILE 57 CO -0.18 0.08 0.00 -0.11 0.00 0.00 0.00 174.94 174.73 1xpu n LEU 58 N 4.48 0.00 -0.14 2.97 -0.00 -0.63 -4.97 117.00 118.71 1xpu n LEU 58 Ca 0.08 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 56.00 1xpu n LEU 58 Cb 0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.90 1xpu n LEU 58 CO 0.53 -0.43 0.89 -0.61 -0.00 0.00 0.00 177.39 177.76 1xpu h GLN 59 N 0.00 0.65 0.00 1.96 5.75 -1.97 -3.20 115.11 118.30 1xpu h GLN 59 Ca 0.00 -0.14 0.00 0.00 -0.15 0.00 0.00 58.65 58.36 1xpu h GLN 59 Cb 0.00 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.46 1xpu h GLN 59 CO 0.00 0.64 0.00 -0.25 -2.65 0.00 0.00 178.83 176.57 1xpu n ASP 60 N -4.58 0.00 0.00 -0.69 8.00 -1.26 -4.88 116.55 113.14 1xpu n ASP 60 Ca -0.00 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.75 1xpu n ASP 60 Cb 0.18 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 1xpu n ASP 60 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xpu n GLY 61 N 1.20 1.05 3.49 0.44 0.00 -1.21 -5.04 105.19 105.12 1xpu n GLY 61 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1xpu n GLY 61 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1xpu s PHE 62 N -2.00 2.60 0.38 1.61 -0.12 -1.26 -4.02 117.98 115.17 1xpu s PHE 62 Ca 0.00 -0.23 0.07 0.00 -0.05 0.00 0.00 56.93 56.72 1xpu s PHE 62 Cb 0.00 -1.43 -0.07 0.00 -0.63 0.00 0.00 43.02 40.89 1xpu s PHE 62 CO 0.00 0.33 -0.01 0.20 -0.05 0.00 0.00 175.22 175.69 1xpu s GLY 63 N -1.78 2.39 0.12 1.99 0.00 -0.71 -1.60 107.32 107.72 1xpu s GLY 63 Ca 0.17 -2.23 0.06 0.00 0.00 0.00 0.00 44.72 42.71 1xpu s GLY 63 CO 0.08 -2.06 -0.13 -1.36 0.00 0.00 0.00 173.10 169.63 1xpu s PHE 64 N -2.73 1.34 -0.39 1.90 0.08 -0.85 -0.26 117.98 117.07 1xpu s PHE 64 Ca 0.34 -0.57 -0.15 0.00 0.12 0.00 0.00 56.93 56.67 1xpu s PHE 64 Cb 0.08 -0.71 0.01 0.00 -0.57 0.00 0.00 43.02 41.83 1xpu s PHE 64 CO 0.17 0.12 0.33 -0.51 -0.10 0.00 0.00 175.22 175.23 1xpu s LEU 65 N -2.45 4.84 -0.03 -0.37 1.43 -0.15 -0.43 118.68 121.53 1xpu s LEU 65 Ca 0.08 -0.66 -0.15 0.00 -1.03 0.00 0.00 54.13 52.37 1xpu s LEU 65 Cb -0.05 -2.23 -0.05 0.00 0.03 0.00 0.00 46.19 43.89 1xpu s LEU 65 CO 0.03 -0.42 0.41 -0.13 0.23 0.00 0.00 176.35 176.46 1xpu s ARG 66 N 1.84 4.00 -0.01 1.70 1.81 0.21 -3.61 118.95 124.90 1xpu s ARG 66 Ca 0.08 0.39 -0.30 0.00 -1.72 0.00 0.00 55.73 54.18 1xpu s ARG 66 Cb -0.18 -3.27 -0.04 0.00 -0.45 0.00 0.00 34.95 31.01 1xpu s ARG 66 CO 0.11 0.58 1.20 -1.54 -0.68 0.00 0.00 175.30 174.97 1xpu s SER 67 N -0.72 7.07 0.31 0.23 1.04 -1.26 -2.08 113.70 118.28 1xpu s SER 67 Ca 0.23 1.89 0.26 0.00 0.48 0.00 0.00 55.95 58.82 1xpu s SER 67 Cb -0.16 -2.57 0.93 0.00 0.10 0.00 0.00 66.02 64.32 1xpu s SER 67 CO 0.12 -0.53 1.77 0.00 0.98 0.00 0.00 173.24 175.58 1xpu h ALA 68 N 7.19 1.00 -0.00 5.32 0.00 -1.96 -0.82 119.26 129.99 1xpu h ALA 68 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1xpu h ALA 68 Cb 1.18 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1xpu h ALA 68 CO 0.85 0.00 -0.19 -0.40 0.00 0.00 0.00 179.25 179.51 1xpu n ASP 69 N -2.47 0.47 -0.38 0.00 5.75 -1.26 -3.64 116.55 115.03 1xpu n ASP 69 Ca 0.03 -0.38 0.08 0.00 -0.01 0.00 0.00 54.79 54.51 1xpu n ASP 69 Cb 0.33 -0.05 0.16 0.00 -1.03 0.00 0.00 41.12 40.54 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 -1.11 1.91 -4.11 -1.12 7.64 -1.05 -4.98 113.62 110.80 1xpu n SER 70 Ca 0.11 -3.37 -0.33 0.00 1.01 0.00 0.00 58.87 56.30 1xpu n SER 70 Cb 0.31 -0.46 -0.02 0.00 -1.01 0.00 0.00 64.21 63.03 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 -1.16 -2.93 -3.75 6.43 7.64 -1.22 -1.96 113.62 116.67 1xpu n SER 71 Ca 0.16 -0.97 -0.25 0.00 1.01 0.00 0.00 58.87 58.82 1xpu n SER 71 Cb 0.69 -3.02 0.04 0.00 -1.01 0.00 0.00 64.21 60.90 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 -4.44 -2.23 -2.53 1.43 4.01 -0.34 -4.78 117.16 108.27 1xpu n TYR 72 Ca -0.01 0.90 -0.32 0.00 -0.16 0.00 0.00 57.90 58.31 1xpu n TYR 72 Cb 0.54 -4.38 -0.04 0.00 -0.31 0.00 0.00 39.34 35.14 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 -6.98 3.71 0.00 7.72 2.96 -0.83 -4.90 118.68 120.36 1xpu s LEU 73 Ca 0.35 1.57 0.00 0.00 -0.22 0.00 0.00 54.13 55.83 1xpu s LEU 73 Cb -0.17 -4.48 0.00 0.00 0.50 0.00 0.00 46.19 42.04 1xpu s LEU 73 CO 0.80 -0.52 0.00 0.00 -1.32 0.00 0.00 176.35 175.31 1xpu n ALA 74 N -1.33 0.00 0.00 5.97 0.00 -1.26 -4.58 120.51 119.31 1xpu n ALA 74 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 1xpu n ALA 74 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1xpu n ALA 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xpu n GLY 75 N 2.38 2.43 0.21 0.00 0.00 -1.26 -4.92 105.19 104.03 1xpu n GLY 75 Ca 0.00 -1.92 0.09 0.00 0.00 0.00 0.00 46.02 44.20 1xpu n GLY 75 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xpu h PRO 76 N 0.00 0.00 -1.19 1.61 0.13 -1.98 -3.30 132.00 127.27 1xpu h PRO 76 Ca 0.00 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.72 1xpu h PRO 76 Cb 0.00 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 30.93 1xpu h PRO 76 CO 0.00 0.22 0.53 -0.40 -0.23 0.00 0.00 178.00 178.12 1xpu n ASP 77 N -3.24 5.52 -4.79 1.44 3.85 -1.26 -4.58 116.55 113.49 1xpu n ASP 77 Ca 0.02 -3.23 -0.36 0.00 -0.71 0.00 0.00 54.79 50.50 1xpu n ASP 77 Cb 0.52 -0.90 -0.07 0.00 -1.35 0.00 0.00 41.12 39.32 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 -0.56 6.35 -0.30 -1.12 1.01 -1.25 -5.00 116.67 115.81 1xpu s ASP 78 Ca 0.41 0.41 -0.29 0.00 0.71 0.00 0.00 52.55 53.80 1xpu s ASP 78 Cb 0.33 -2.11 -0.01 0.00 1.01 0.00 0.00 42.92 42.14 1xpu s ASP 78 CO 0.03 0.26 1.56 -0.63 0.21 0.00 0.00 175.17 176.60 1xpu s ILE 79 N -0.23 3.77 0.32 0.77 1.09 -1.24 -4.29 121.20 121.38 1xpu s ILE 79 Ca 0.13 0.83 -0.28 0.00 -1.10 0.00 0.00 60.65 60.23 1xpu s ILE 79 Cb -0.12 -3.88 -0.09 0.00 -1.06 0.00 0.00 42.46 37.31 1xpu s ILE 79 CO 0.02 -0.45 1.15 -0.47 -0.10 0.00 0.00 174.94 175.10 1xpu s TYR 80 N 5.46 3.35 -0.14 3.97 5.04 -0.64 -0.98 117.35 133.40 1xpu s TYR 80 Ca 0.68 1.61 0.00 0.00 -2.44 0.00 0.00 57.07 56.92 1xpu s TYR 80 Cb -0.21 -3.38 0.02 0.00 0.35 0.00 0.00 41.96 38.75 1xpu s TYR 80 CO 0.30 -0.98 -0.13 0.08 -1.34 0.00 0.00 175.55 173.48 1xpu s VAL 81 N -1.24 1.45 0.44 3.14 1.01 0.65 -2.18 120.40 123.67 1xpu s VAL 81 Ca 0.49 -0.56 -0.22 0.00 0.00 0.00 0.00 61.98 61.69 1xpu s VAL 81 Cb -0.33 -1.38 -0.09 0.00 0.00 0.00 0.00 36.38 34.59 1xpu s VAL 81 CO 0.42 0.44 1.05 -0.94 0.00 0.00 0.00 175.10 176.07 1xpu s SER 82 N 1.54 6.52 0.52 3.32 1.04 -1.26 -1.73 113.70 123.65 1xpu s SER 82 Ca 0.05 2.01 0.27 0.00 0.48 0.00 0.00 55.95 58.76 1xpu s SER 82 Cb -0.13 -2.58 1.39 0.00 0.10 0.00 0.00 66.02 64.81 1xpu s SER 82 CO -0.10 -0.66 1.93 -0.65 0.98 0.00 0.00 173.24 174.74 1xpu h PRO 83 N 2.04 0.06 0.00 4.02 0.11 -1.96 0.75 132.00 137.03 1xpu h PRO 83 Ca -0.49 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 1xpu h PRO 83 Cb 1.22 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1xpu h PRO 83 CO 0.61 0.04 -0.15 0.66 -0.21 0.00 0.00 178.00 178.95 1xpu h SER 84 N 0.06 0.00 0.01 -2.05 4.64 -1.92 -2.92 113.55 111.37 1xpu h SER 84 Ca 0.36 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.42 1xpu h SER 84 Cb 1.35 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.46 1xpu h SER 84 CO -0.03 0.15 -1.04 1.56 -0.87 0.00 0.00 176.83 176.60 1xpu h GLN 85 N 0.00 0.70 -0.05 4.77 4.20 -1.21 -2.73 115.11 120.78 1xpu h GLN 85 Ca -0.00 -0.75 0.01 0.00 0.06 0.00 0.00 58.65 57.97 1xpu h GLN 85 Cb 0.35 0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.33 1xpu h GLN 85 CO 0.02 1.33 -0.02 0.82 -0.67 0.00 0.00 178.83 180.31 1xpu h ILE 86 N 0.40 0.93 0.00 2.54 2.04 -1.52 -2.26 117.51 119.64 1xpu h ILE 86 Ca -0.13 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 1xpu h ILE 86 Cb 1.69 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 38.70 1xpu h ILE 86 CO 0.20 0.00 -0.08 0.03 0.00 0.00 0.00 178.15 178.30 1xpu h ARG 87 N -0.01 0.00 0.40 2.37 3.08 -1.61 0.56 114.38 119.18 1xpu h ARG 87 Ca 0.03 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 1xpu h ARG 87 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1xpu h ARG 87 CO -0.06 0.08 -0.19 -0.09 -1.07 0.00 0.00 179.97 178.64 1xpu h ARG 88 N 0.00 -0.52 -0.22 0.04 9.65 -1.09 -3.33 114.38 118.90 1xpu h ARG 88 Ca -0.00 0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 1xpu h ARG 88 Cb 0.17 0.12 0.00 0.00 -1.39 0.00 0.00 29.97 28.87 1xpu h ARG 88 CO 0.01 -0.35 0.00 1.19 2.80 0.00 0.00 179.97 183.62 1xpu n PHE 89 N -4.39 0.27 -3.25 2.20 3.72 -0.94 -5.01 117.46 110.07 1xpu n PHE 89 Ca -0.07 -0.13 -0.22 0.00 -0.05 0.00 0.00 57.45 56.97 1xpu n PHE 89 Cb 0.21 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.78 1xpu n PHE 89 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1xpu n ASN 90 N 0.88 -6.44 -4.62 4.37 4.05 0.19 -4.88 115.26 108.82 1xpu n ASN 90 Ca 0.17 0.22 -0.29 0.00 0.45 0.00 0.00 54.58 55.13 1xpu n ASN 90 Cb 0.47 -2.76 -0.09 0.00 1.23 0.00 0.00 39.78 38.64 1xpu n ASN 90 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1xpu s LEU 91 N -2.16 3.20 0.37 1.20 1.43 -1.04 -5.04 118.68 116.63 1xpu s LEU 91 Ca 0.26 -0.34 0.07 0.00 -1.03 0.00 0.00 54.13 53.09 1xpu s LEU 91 Cb -0.04 -1.95 -0.07 0.00 0.03 0.00 0.00 46.19 44.16 1xpu s LEU 91 CO 0.69 0.16 -0.01 -0.13 0.23 0.00 0.00 176.35 177.29 1xpu s ARG 92 N -2.39 1.83 0.11 1.70 0.52 -1.26 -4.96 118.95 114.50 1xpu s ARG 92 Ca 0.24 -2.01 -0.31 0.00 -0.52 0.00 0.00 55.73 53.13 1xpu s ARG 92 Cb -0.11 -1.45 -0.08 0.00 0.52 0.00 0.00 34.95 33.83 1xpu s ARG 92 CO 0.16 -0.03 1.45 0.95 0.02 0.00 0.00 175.30 177.85 1xpu s THR 93 N -2.84 3.17 0.00 0.02 -4.23 -1.26 -2.85 115.64 107.66 1xpu s THR 93 Ca 0.34 0.80 0.00 0.00 -1.18 0.00 0.00 61.69 61.66 1xpu s THR 93 Cb 0.08 -3.52 0.00 0.00 1.34 0.00 0.00 72.50 70.40 1xpu s THR 93 CO 0.17 0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.91 1xpu n GLY 94 N 3.61 0.76 3.71 3.99 0.00 -0.38 -4.59 105.19 112.29 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 -1.72 7.23 -0.09 1.61 1.01 -1.13 -3.83 116.67 119.75 1xpu s ASP 95 Ca 0.00 1.79 -0.24 0.00 0.71 0.00 0.00 52.55 54.81 1xpu s ASP 95 Cb 0.00 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 1xpu s ASP 95 CO 0.00 -0.37 0.75 -0.89 0.21 0.00 0.00 175.17 174.87 1xpu s THR 96 N 1.18 4.99 -0.10 -1.27 2.01 -1.26 -0.14 115.64 121.05 1xpu s THR 96 Ca 0.55 1.52 -0.01 0.00 0.31 0.00 0.00 61.69 64.06 1xpu s THR 96 Cb -0.24 -4.08 0.03 0.00 0.01 0.00 0.00 72.50 68.22 1xpu s THR 96 CO 0.27 0.18 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.71 1xpu s ILE 97 N 1.19 0.81 -0.16 1.82 1.01 0.56 -1.82 121.20 124.61 1xpu s ILE 97 Ca 0.38 -0.17 -0.07 0.00 0.00 0.00 0.00 60.65 60.79 1xpu s ILE 97 Cb -0.18 -0.89 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 1xpu s ILE 97 CO 0.17 0.31 0.08 -0.44 0.00 0.00 0.00 174.94 175.07 1xpu s SER 98 N 1.80 5.85 0.06 3.58 0.01 -1.19 -1.73 113.70 122.09 1xpu s SER 98 Ca 0.05 0.20 -0.11 0.00 1.31 0.00 0.00 55.95 57.40 1xpu s SER 98 Cb -0.13 -1.94 0.04 0.00 0.21 0.00 0.00 66.02 64.20 1xpu s SER 98 CO -0.07 0.26 0.52 0.61 0.41 0.00 0.00 173.24 174.97 1xpu n GLY 99 N 2.99 0.84 3.88 3.44 0.00 -1.23 -0.20 105.19 114.92 1xpu n GLY 99 Ca -0.17 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.02 3.74 0.40 1.61 -0.14 -1.14 -2.94 119.74 119.25 1xpu s LYS 100 Ca 0.12 0.21 0.04 0.00 -1.36 0.00 0.00 55.97 54.98 1xpu s LYS 100 Cb -0.01 -2.61 -0.05 0.00 -1.68 0.00 0.00 37.83 33.48 1xpu s LYS 100 CO 0.02 0.23 0.05 0.96 -0.76 0.00 0.00 175.35 175.85 1xpu s ILE 101 N -1.99 1.23 -0.22 2.17 -4.36 -1.05 -0.03 121.20 116.95 1xpu s ILE 101 Ca 0.47 -2.00 -0.19 0.00 -0.26 0.00 0.00 60.65 58.66 1xpu s ILE 101 Cb -0.11 -2.62 0.06 0.00 1.25 0.00 0.00 42.46 41.04 1xpu s ILE 101 CO 0.26 0.00 0.58 0.00 0.24 0.00 0.00 174.94 176.01 1xpu s ARG 102 N -3.81 0.66 0.78 0.37 1.70 0.02 -4.80 118.95 113.88 1xpu s ARG 102 Ca 0.28 0.82 -0.14 0.00 -0.47 0.00 0.00 55.73 56.22 1xpu s ARG 102 Cb 0.06 0.30 0.05 0.00 -0.57 0.00 0.00 34.95 34.79 1xpu s ARG 102 CO 0.13 -0.09 1.03 -2.30 -1.08 0.00 0.00 175.30 173.00 1xpu n PRO 103 N 2.91 0.28 -2.19 3.89 -0.02 -1.26 -1.41 135.00 137.20 1xpu n PRO 103 Ca -0.14 0.16 -0.42 0.00 -2.02 0.00 0.00 63.50 61.08 1xpu n PRO 103 Cb 0.56 -2.29 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 1xpu n PRO 103 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1xpu s PRO 104 N -3.74 4.36 -1.24 0.52 0.04 -1.26 -4.78 135.00 128.90 1xpu s PRO 104 Ca 0.72 2.07 -0.16 0.00 0.04 0.00 0.00 61.00 63.66 1xpu s PRO 104 Cb -0.31 -3.21 0.11 0.00 0.04 0.00 0.00 34.50 31.13 1xpu s PRO 104 CO 0.52 -0.32 1.59 0.15 0.04 0.00 0.00 177.00 178.98 1xpu s LYS 105 N 0.31 4.01 0.00 4.56 1.02 -1.26 -4.69 119.74 123.69 1xpu s LYS 105 Ca 0.60 -2.20 0.00 0.00 0.02 0.00 0.00 55.97 54.39 1xpu s LYS 105 Cb -0.37 -5.32 0.00 0.00 -0.52 0.00 0.00 37.83 31.62 1xpu s LYS 105 CO 0.36 -2.05 0.00 0.39 -0.92 0.00 0.00 175.35 173.13 1xpu n GLU 106 N 7.26 0.00 0.00 1.68 1.02 -1.26 -4.16 120.64 125.18 1xpu n GLU 106 Ca 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.57 1xpu n GLU 106 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.87 1xpu n GLU 106 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1xpu n GLY 107 N 0.00 -0.17 3.51 0.62 0.00 -1.26 -5.03 105.19 102.85 1xpu n GLY 107 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.22 3.29 -0.21 1.61 2.02 -1.26 -4.98 118.70 118.94 1xpu s GLU 108 Ca 0.00 -0.39 -0.31 0.00 0.02 0.00 0.00 54.97 54.29 1xpu s GLU 108 Cb 0.00 -3.99 -0.08 0.00 0.10 0.00 0.00 34.13 30.16 1xpu s GLU 108 CO 0.00 -1.14 2.15 0.54 0.02 0.00 0.00 175.26 176.82 1xpu n ARG 109 N 6.52 1.83 -0.64 1.61 1.74 -1.26 -4.45 116.66 122.02 1xpu n ARG 109 Ca -0.01 0.55 0.08 0.00 -0.77 0.00 0.00 57.85 57.70 1xpu n ARG 109 Cb 0.47 -2.92 -0.03 0.00 -1.02 0.00 0.00 32.46 28.96 1xpu n ARG 109 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1xpu n TYR 110 N 10.13 -1.65 -1.58 -1.55 4.01 -1.26 -4.79 117.16 120.47 1xpu n TYR 110 Ca 0.31 0.87 -0.45 0.00 -0.16 0.00 0.00 57.90 58.47 1xpu n TYR 110 Cb 0.36 -1.50 -0.04 0.00 -0.31 0.00 0.00 39.34 37.85 1xpu n TYR 110 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1xpu n PHE 111 N -3.30 1.96 -3.05 -0.72 3.72 -1.26 -4.28 117.46 110.52 1xpu n PHE 111 Ca -0.02 -0.06 -0.27 0.00 -0.05 0.00 0.00 57.45 57.05 1xpu n PHE 111 Cb 0.30 -2.69 -0.01 0.00 -0.94 0.00 0.00 39.48 36.13 1xpu n PHE 111 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1xpu s ALA 112 N 7.55 3.54 0.32 4.37 0.00 -0.50 -1.63 121.76 135.41 1xpu s ALA 112 Ca 1.01 -0.62 -0.23 0.00 0.00 0.00 0.00 51.96 52.13 1xpu s ALA 112 Cb -0.47 -2.38 -0.10 0.00 0.00 0.00 0.00 23.12 20.17 1xpu s ALA 112 CO 0.40 -0.08 0.88 -1.17 0.00 0.00 0.00 175.76 175.78 1xpu s LEU 113 N -4.26 4.24 0.00 0.00 2.96 -0.93 -0.80 118.68 119.90 1xpu s LEU 113 Ca 0.45 1.66 0.00 0.00 -0.22 0.00 0.00 54.13 56.02 1xpu s LEU 113 Cb -0.10 -4.02 0.00 0.00 0.50 0.00 0.00 46.19 42.57 1xpu s LEU 113 CO 0.37 -0.11 0.00 0.18 -1.32 0.00 0.00 176.35 175.47 1xpu n LEU 114 N 0.28 0.00 -4.46 -0.68 4.77 0.96 -4.88 117.00 113.00 1xpu n LEU 114 Ca 0.02 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 55.64 1xpu n LEU 114 Cb 0.51 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.48 1xpu n LEU 114 CO 0.42 0.00 -0.28 -0.54 -1.33 0.00 0.00 177.39 175.66 1xpu s LYS 115 N 0.52 3.67 -0.22 3.23 1.02 -1.26 -4.93 119.74 121.77 1xpu s LYS 115 Ca 0.00 -0.47 -0.29 0.00 0.02 0.00 0.00 55.97 55.23 1xpu s LYS 115 Cb 0.00 -3.30 -0.03 0.00 -0.52 0.00 0.00 37.83 33.98 1xpu s LYS 115 CO 0.00 -0.14 1.73 0.08 -0.92 0.00 0.00 175.35 176.10 1xpu s VAL 116 N 1.49 3.54 -0.31 3.17 1.01 -1.26 -2.88 120.40 125.15 1xpu s VAL 116 Ca 0.06 0.60 0.22 0.00 0.00 0.00 0.00 61.98 62.85 1xpu s VAL 116 Cb -0.15 -3.57 -0.30 0.00 0.00 0.00 0.00 36.38 32.36 1xpu s VAL 116 CO 0.03 -0.26 0.61 0.59 0.00 0.00 0.00 175.10 176.07 1xpu n ASN 117 N 8.98 0.30 -3.79 3.32 3.02 -0.18 -4.83 115.26 122.08 1xpu n ASN 117 Ca 0.21 -0.28 -0.13 0.00 -0.03 0.00 0.00 54.58 54.35 1xpu n ASN 117 Cb 0.45 1.69 -0.11 0.00 -0.61 0.00 0.00 39.78 41.19 1xpu n ASN 117 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1xpu s GLU 118 N -3.37 0.31 -0.18 3.52 0.41 0.72 -4.53 118.70 115.58 1xpu s GLU 118 Ca -0.03 0.33 -0.04 0.00 -0.41 0.00 0.00 54.97 54.82 1xpu s GLU 118 Cb 0.15 0.15 0.06 0.00 -1.78 0.00 0.00 34.13 32.71 1xpu s GLU 118 CO 0.90 -0.04 0.07 0.08 -0.49 0.00 0.00 175.26 175.78 1xpu s VAL 119 N 0.08 0.11 -1.28 2.63 1.01 -0.98 -3.14 120.40 118.83 1xpu s VAL 119 Ca -0.00 -0.31 -0.08 0.00 0.00 0.00 0.00 61.98 61.59 1xpu s VAL 119 Cb -0.02 -0.73 -0.00 0.00 0.00 0.00 0.00 36.38 35.62 1xpu s VAL 119 CO 0.00 -0.27 0.62 0.59 0.00 0.00 0.00 175.10 176.04 1xpu n ASN 120 N 5.21 -2.45 -3.61 3.32 3.02 -0.75 -2.52 115.26 117.47 1xpu n ASN 120 Ca -0.08 -0.97 -0.25 0.00 -0.03 0.00 0.00 54.58 53.25 1xpu n ASN 120 Cb 0.48 -3.41 0.06 0.00 -0.61 0.00 0.00 39.78 36.31 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 -4.28 -2.67 -3.59 3.10 3.72 -1.26 -4.98 117.46 107.50 1xpu n PHE 121 Ca -0.22 0.94 -0.08 0.00 -0.05 0.00 0.00 57.45 58.03 1xpu n PHE 121 Cb 0.65 -4.74 -0.02 0.00 -0.94 0.00 0.00 39.48 34.43 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 -3.25 -0.38 0.09 4.37 -1.08 -1.05 -5.14 116.67 110.23 1xpu s ASP 122 Ca 0.58 -0.20 -0.37 0.00 -0.52 0.00 0.00 52.55 52.05 1xpu s ASP 122 Cb -0.26 0.55 -0.17 0.00 -1.46 0.00 0.00 42.92 41.57 1xpu s ASP 122 CO 0.71 -0.94 1.24 1.17 0.52 0.00 0.00 175.17 177.88 1xpu n LYS 123 N -0.38 0.90 0.16 4.34 4.81 -1.26 -2.31 118.16 124.41 1xpu n LYS 123 Ca -0.10 0.32 0.09 0.00 -0.87 0.00 0.00 58.31 57.75 1xpu n LYS 123 Cb 0.62 -1.90 0.47 0.00 0.02 0.00 0.00 35.03 34.24 1xpu n LYS 123 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1xpu n PRO 124 N 2.15 0.11 -1.00 1.64 -0.02 -1.26 -3.06 135.00 133.56 1xpu n PRO 124 Ca 0.18 0.60 -0.14 0.00 -2.02 0.00 0.00 63.50 62.12 1xpu n PRO 124 Cb 0.18 -2.02 -0.07 0.00 -0.02 0.00 0.00 33.50 31.57 1xpu n PRO 124 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1xpu n GLU 125 N -2.14 1.86 -4.15 -0.52 -0.58 -1.26 -4.88 120.64 108.97 1xpu n GLU 125 Ca -0.01 -1.23 -0.10 0.00 -0.42 0.00 0.00 57.16 55.40 1xpu n GLU 125 Cb 0.17 -1.77 -0.10 0.00 -0.57 0.00 0.00 31.44 29.17 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 1.27 0.97 0.00 1.62 -0.87 -1.17 -5.22 114.94 111.53 1xpu s ASN 126 Ca 0.45 -0.99 0.00 0.00 -1.57 0.00 0.00 52.86 50.75 1xpu s ASN 126 Cb 0.26 0.12 0.00 0.00 -0.02 0.00 0.00 41.25 41.61 1xpu s ASN 126 CO -0.06 -0.49 0.00 0.59 -2.57 0.00 0.00 177.10 174.57 1xpu n ASN 129 N 0.03 0.00 -4.68 -1.22 3.02 -1.26 -4.98 115.26 106.16 1xpu n ASN 129 Ca -0.13 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.00 1xpu n ASN 129 Cb 0.61 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.75 1xpu n ASN 129 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1xpu s LYS 130 N -0.58 4.21 0.51 3.52 3.01 -1.26 -4.96 119.74 124.19 1xpu s LYS 130 Ca 0.00 2.23 -0.22 0.00 -1.01 0.00 0.00 55.97 56.97 1xpu s LYS 130 Cb 0.00 -3.71 -0.07 0.00 -1.01 0.00 0.00 37.83 33.04 1xpu s LYS 130 CO 0.00 -0.74 1.18 0.44 0.51 0.00 0.00 175.35 176.74 1xpu n ILE 131 N 4.94 3.30 -0.01 2.17 -5.35 -1.26 -4.86 119.36 118.29 1xpu n ILE 131 Ca 0.16 -0.50 0.23 0.00 -0.27 0.00 0.00 62.75 62.37 1xpu n ILE 131 Cb 0.42 -1.43 0.72 0.00 -1.74 0.00 0.00 39.64 37.61 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 1.35 0.00 0.00 7.28 6.46 -1.93 -1.91 115.31 126.56 1xpu h LEU 132 Ca -0.49 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.27 1xpu h LEU 132 Cb 1.32 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.25 1xpu h LEU 132 CO 0.56 0.00 0.13 0.49 -0.62 0.00 0.00 178.44 179.00 1xpu n PHE 133 N -3.93 0.00 -1.93 1.25 3.72 -1.26 -2.39 117.46 112.92 1xpu n PHE 133 Ca 0.12 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.52 1xpu n PHE 133 Cb 0.76 -0.36 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 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 -1.36 0.00 -2.96 -1.08 0.28 -0.72 -5.08 120.64 109.73 1xpu n GLU 134 Ca 0.00 -0.94 -0.40 0.00 -0.16 0.00 0.00 57.16 55.67 1xpu n GLU 134 Cb 0.13 -0.49 -0.06 0.00 1.43 0.00 0.00 31.44 32.46 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 -0.90 7.38 0.57 -1.84 0.01 -1.00 -5.04 114.94 114.12 1xpu s ASN 135 Ca 0.00 1.64 -0.19 0.00 -0.71 0.00 0.00 52.86 53.60 1xpu s ASN 135 Cb 0.00 -2.51 -0.05 0.00 0.41 0.00 0.00 41.25 39.11 1xpu s ASN 135 CO 0.00 0.16 1.16 -0.76 -1.51 0.00 0.00 177.10 176.15 1xpu s LEU 136 N -0.91 3.70 -0.55 0.60 1.43 -1.26 -4.96 118.68 116.72 1xpu s LEU 136 Ca 0.37 2.26 0.04 0.00 -1.03 0.00 0.00 54.13 55.76 1xpu s LEU 136 Cb -0.23 -4.59 0.16 0.00 0.03 0.00 0.00 46.19 41.56 1xpu s LEU 136 CO 0.26 -1.39 0.37 0.42 0.23 0.00 0.00 176.35 176.23 1xpu s THR 137 N -1.73 1.97 0.87 5.49 -4.23 -1.26 -2.61 115.64 114.14 1xpu s THR 137 Ca 0.74 -3.39 -0.12 0.00 -1.18 0.00 0.00 61.69 57.75 1xpu s THR 137 Cb -0.26 -2.33 0.11 0.00 1.34 0.00 0.00 72.50 71.36 1xpu s THR 137 CO 0.30 -0.99 1.10 -2.16 -0.54 0.00 0.00 174.62 172.32 1xpu s PRO 138 N -0.54 1.51 0.56 3.99 0.04 -1.22 -5.00 135.00 134.35 1xpu s PRO 138 Ca 0.23 0.71 -0.21 0.00 0.04 0.00 0.00 61.00 61.78 1xpu s PRO 138 Cb -0.11 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 1xpu s PRO 138 CO -0.11 -2.04 1.29 -0.51 0.04 0.00 0.00 177.00 175.67 1xpu s LEU 139 N -6.06 3.78 0.61 -3.56 1.43 -1.26 -4.18 118.68 109.45 1xpu s LEU 139 Ca 0.63 2.60 0.40 0.00 -1.03 0.00 0.00 54.13 56.72 1xpu s LEU 139 Cb -0.16 -4.40 2.02 0.00 0.03 0.00 0.00 46.19 43.67 1xpu s LEU 139 CO 0.56 -1.57 2.21 1.12 0.23 0.00 0.00 176.35 178.90 1xpu h HIS 140 N 1.25 0.00 0.00 0.29 2.07 -1.82 -3.34 115.15 113.60 1xpu h HIS 140 Ca -0.51 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.01 1xpu h HIS 140 Cb 1.30 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 31.28 1xpu h HIS 140 CO 0.46 0.00 -0.03 0.00 -3.07 0.00 0.00 177.93 175.29 1xpu h ALA 141 N 2.00 1.02 -0.91 6.11 0.00 -1.87 -3.32 119.26 122.29 1xpu h ALA 141 Ca 0.00 -0.03 0.23 0.00 0.00 0.00 0.00 54.91 55.11 1xpu h ALA 141 Cb 0.18 -0.01 -0.13 0.00 0.00 0.00 0.00 17.79 17.84 1xpu h ALA 141 CO 0.00 0.04 0.42 -2.95 0.00 0.00 0.00 179.25 176.77 1xpu h ASN 142 N 0.00 0.38 -3.48 0.00 -1.07 -1.77 -2.75 115.58 106.89 1xpu h ASN 142 Ca -0.00 0.15 -0.65 0.00 0.07 0.00 0.00 56.30 55.87 1xpu h ASN 142 Cb 0.50 0.12 -0.33 0.00 -2.07 0.00 0.00 38.32 36.54 1xpu h ASN 142 CO 0.00 0.01 -0.87 -0.55 0.07 0.00 0.00 177.43 176.09 1xpu s SER 143 N -5.17 2.84 0.19 6.14 0.15 -1.26 -4.77 113.70 111.82 1xpu s SER 143 Ca -0.11 -0.50 -0.12 0.00 0.70 0.00 0.00 55.95 55.91 1xpu s SER 143 Cb 0.26 -1.19 -0.07 0.00 -1.71 0.00 0.00 66.02 63.30 1xpu s SER 143 CO 0.78 0.15 0.56 -0.60 1.20 0.00 0.00 173.24 175.33 1xpu s ARG 144 N 0.30 3.91 -0.37 5.44 6.06 -1.26 -2.30 118.95 130.73 1xpu s ARG 144 Ca -0.15 0.41 0.00 0.00 -2.50 0.00 0.00 55.73 53.49 1xpu s ARG 144 Cb -0.17 -2.79 0.10 0.00 0.06 0.00 0.00 34.95 32.15 1xpu s ARG 144 CO 0.07 0.40 0.11 -0.51 -2.50 0.00 0.00 175.30 172.87 1xpu s LEU 145 N -2.36 4.89 0.35 -0.88 1.43 0.10 -4.87 118.68 117.36 1xpu s LEU 145 Ca 0.42 -2.02 -0.18 0.00 -1.03 0.00 0.00 54.13 51.33 1xpu s LEU 145 Cb -0.13 -1.72 -0.10 0.00 0.03 0.00 0.00 46.19 44.27 1xpu s LEU 145 CO 0.20 -0.44 0.81 -0.13 0.23 0.00 0.00 176.35 177.02 1xpu s ARG 146 N 1.04 4.11 -0.08 1.70 0.52 -1.26 -4.22 118.95 120.77 1xpu s ARG 146 Ca 0.08 0.85 0.02 0.00 -0.52 0.00 0.00 55.73 56.16 1xpu s ARG 146 Cb -0.21 -2.39 0.02 0.00 0.52 0.00 0.00 34.95 32.89 1xpu s ARG 146 CO -0.06 0.12 -0.11 -1.64 0.02 0.00 0.00 175.30 173.63 1xpu s MET 147 N -2.95 1.67 0.00 3.54 -1.94 -1.26 -4.93 119.30 113.44 1xpu s MET 147 Ca 0.56 -0.38 0.00 0.00 -1.71 0.00 0.00 55.69 54.16 1xpu s MET 147 Cb -0.11 -1.45 0.00 0.00 2.01 0.00 0.00 34.83 35.28 1xpu s MET 147 CO 0.16 -0.04 0.00 0.41 -0.01 0.00 0.00 175.02 175.55 1xpu n GLY 152 N 4.06 1.93 0.00 -0.03 0.00 -1.26 -4.92 105.19 104.97 1xpu n GLY 152 Ca -0.21 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.71 1xpu n GLY 152 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xpu n SER 153 N 0.00 0.00 0.05 1.61 3.41 -1.26 -4.90 113.62 112.53 1xpu n SER 153 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 1xpu n SER 153 Cb 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.08 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 0.28 0.23 6.66 -2.24 -1.26 -3.20 114.28 114.75 1xpu n THR 154 Ca 0.00 -0.25 0.07 0.00 -2.27 0.00 0.00 64.05 61.60 1xpu n THR 154 Cb 0.00 -0.01 0.56 0.00 -2.10 0.00 0.00 70.33 68.78 1xpu n THR 154 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1xpu h GLU 155 N 0.00 0.00 0.00 -0.78 4.81 -2.04 -2.42 114.58 114.15 1xpu h GLU 155 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 1xpu h GLU 155 Cb 0.73 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.10 1xpu h GLU 155 CO 0.00 0.19 -0.14 0.22 -0.73 0.00 0.00 179.01 178.55 1xpu h ASP 156 N 0.00 0.00 -0.66 1.04 -0.00 -1.89 -3.26 116.42 111.64 1xpu h ASP 156 Ca -0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.03 57.17 1xpu h ASP 156 Cb 0.37 0.00 -0.11 0.00 -0.00 0.00 0.00 39.33 39.60 1xpu h ASP 156 CO 0.02 0.14 0.06 -0.07 -0.00 0.00 0.00 179.24 179.39 1xpu h LEU 157 N 0.00 -0.19 -0.11 2.28 3.38 -1.57 -1.13 115.31 117.97 1xpu h LEU 157 Ca -0.00 0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.15 1xpu h LEU 157 Cb 0.60 0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.56 1xpu h LEU 157 CO 0.02 -0.09 -0.08 0.74 0.09 0.00 0.00 178.44 179.12 1xpu h THR 158 N 0.16 0.76 0.00 0.22 2.02 -1.75 -2.57 112.91 111.74 1xpu h THR 158 Ca 0.35 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.53 1xpu h THR 158 Cb 0.59 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1xpu h THR 158 CO -0.53 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.36 1xpu n ALA 159 N -2.40 1.65 -0.13 6.16 0.00 -0.51 -2.35 120.51 122.93 1xpu n ALA 159 Ca -0.04 -0.05 -0.27 0.00 0.00 0.00 0.00 53.44 53.09 1xpu n ALA 159 Cb 0.14 -1.22 -0.11 0.00 0.00 0.00 0.00 19.45 18.26 1xpu n ALA 159 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xpu n ARG 160 N -1.48 0.60 -0.02 0.00 1.74 -0.70 -3.32 116.66 113.48 1xpu n ARG 160 Ca 0.04 0.27 0.06 0.00 -0.77 0.00 0.00 57.85 57.44 1xpu n ARG 160 Cb 0.16 -1.53 0.44 0.00 -1.02 0.00 0.00 32.46 30.51 1xpu n ARG 160 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1xpu h VAL 161 N -0.78 1.06 -0.05 1.55 2.07 -1.51 -2.50 116.25 116.09 1xpu h VAL 161 Ca -0.64 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 66.71 1xpu h VAL 161 Cb 1.66 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.89 1xpu h VAL 161 CO -0.33 0.10 -0.06 0.25 0.02 0.00 0.00 177.57 177.55 1xpu h LEU 162 N 0.53 -0.18 -1.89 2.57 5.85 -1.63 0.60 115.31 121.16 1xpu h LEU 162 Ca 0.18 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.91 1xpu h LEU 162 Cb 0.06 0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 1xpu h LEU 162 CO -0.04 -0.09 -0.09 0.44 -0.34 0.00 0.00 178.44 178.32 1xpu h ASP 163 N -0.08 0.00 0.13 1.25 3.45 -1.45 0.90 116.42 120.61 1xpu h ASP 163 Ca 0.04 0.00 -0.36 0.00 0.43 0.00 0.00 57.03 57.14 1xpu h ASP 163 Cb 0.14 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 38.90 1xpu h ASP 163 CO -0.10 0.09 -1.93 -0.07 -1.57 0.00 0.00 179.24 175.66 1xpu h LEU 164 N 0.00 0.43 0.24 1.55 3.38 -1.22 -3.32 115.31 116.36 1xpu h LEU 164 Ca -0.00 -0.94 -0.01 0.00 0.09 0.00 0.00 57.88 57.02 1xpu h LEU 164 Cb 0.37 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.98 1xpu h LEU 164 CO 0.01 1.84 -0.11 0.00 0.09 0.00 0.00 178.44 180.26 1xpu h ALA 165 N 0.05 -0.32 -2.40 1.53 0.00 -0.76 -3.44 119.26 113.92 1xpu h ALA 165 Ca -0.41 -0.15 -0.59 0.00 0.00 0.00 0.00 54.91 53.76 1xpu h ALA 165 Cb 2.01 0.12 -0.38 0.00 0.00 0.00 0.00 17.79 19.54 1xpu h ALA 165 CO 0.09 -0.33 -0.96 -1.54 0.00 0.00 0.00 179.25 176.51 1xpu s SER 166 N -5.27 1.63 0.15 0.00 1.04 0.30 -3.69 113.70 107.86 1xpu s SER 166 Ca -0.09 -2.98 -0.34 0.00 0.48 0.00 0.00 55.95 53.02 1xpu s SER 166 Cb 0.00 -0.45 -0.15 0.00 0.10 0.00 0.00 66.02 65.53 1xpu s SER 166 CO 0.30 -0.19 1.46 -0.81 0.98 0.00 0.00 173.24 174.98 1xpu n PRO 167 N 2.97 1.78 -3.84 4.02 -0.04 -1.23 -4.60 135.00 134.06 1xpu n PRO 167 Ca 0.28 0.64 -0.36 0.00 -0.04 0.00 0.00 63.50 64.02 1xpu n PRO 167 Cb 0.46 -2.34 -0.06 0.00 -0.04 0.00 0.00 33.50 31.53 1xpu n PRO 167 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1xpu s ILE 168 N 0.57 5.42 0.03 0.52 -1.09 -1.26 -4.90 121.20 120.48 1xpu s ILE 168 Ca 0.78 0.14 0.00 0.00 -2.23 0.00 0.00 60.65 59.35 1xpu s ILE 168 Cb -0.76 -3.49 -0.00 0.00 -1.58 0.00 0.00 42.46 36.62 1xpu s ILE 168 CO 0.43 0.48 0.01 0.61 -1.23 0.00 0.00 174.94 175.25 1xpu n GLY 169 N 1.51 4.05 3.63 6.18 0.00 -1.26 0.03 105.19 119.33 1xpu n GLY 169 Ca -0.15 -1.92 -0.41 0.00 0.00 0.00 0.00 46.02 43.53 1xpu n GLY 169 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xpu s ARG 170 N -2.11 4.11 0.00 1.61 0.52 -0.97 -3.60 118.95 118.51 1xpu s ARG 170 Ca 0.01 0.76 0.00 0.00 -0.52 0.00 0.00 55.73 55.98 1xpu s ARG 170 Cb 0.00 -3.67 0.00 0.00 0.52 0.00 0.00 34.95 31.80 1xpu s ARG 170 CO 0.01 -0.54 0.00 0.41 0.02 0.00 0.00 175.30 175.21 1xpu n GLY 171 N 3.96 1.10 3.77 -3.53 0.00 -1.26 -4.34 105.19 104.89 1xpu n GLY 171 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.79 4.37 -0.77 1.61 -1.52 -1.24 -3.22 119.66 118.10 1xpu s GLN 172 Ca 0.00 2.04 -0.05 0.00 -1.95 0.00 0.00 55.36 55.40 1xpu s GLN 172 Cb 0.00 -3.02 0.20 0.00 -0.22 0.00 0.00 33.01 29.96 1xpu s GLN 172 CO 0.00 -0.12 0.64 0.50 -0.25 0.00 0.00 175.29 176.07 1xpu s ARG 173 N -1.80 3.06 0.17 2.91 3.52 -1.26 -0.13 118.95 125.43 1xpu s ARG 173 Ca 0.49 -2.79 -0.14 0.00 -0.13 0.00 0.00 55.73 53.16 1xpu s ARG 173 Cb -0.36 -3.97 -0.07 0.00 -1.56 0.00 0.00 34.95 28.98 1xpu s ARG 173 CO 0.47 -1.23 0.58 0.20 -0.81 0.00 0.00 175.30 174.51 1xpu s GLY 174 N 0.72 2.45 -0.32 8.12 0.00 0.92 -1.27 107.32 117.95 1xpu s GLY 174 Ca 0.21 -0.10 -0.02 0.00 0.00 0.00 0.00 44.72 44.81 1xpu s GLY 174 CO -0.07 0.16 0.13 -2.27 0.00 0.00 0.00 173.10 171.05 1xpu s LEU 175 N -2.11 1.66 -0.69 0.66 2.96 0.35 -1.12 118.68 120.39 1xpu s LEU 175 Ca 0.40 -1.64 -0.27 0.00 -0.22 0.00 0.00 54.13 52.40 1xpu s LEU 175 Cb -0.15 -0.68 0.03 0.00 0.50 0.00 0.00 46.19 45.89 1xpu s LEU 175 CO 0.19 -0.41 1.24 -0.63 -1.32 0.00 0.00 176.35 175.43 1xpu s ILE 176 N 1.64 3.83 -0.20 6.68 1.01 -0.21 -1.52 121.20 132.42 1xpu s ILE 176 Ca 0.11 0.55 -0.28 0.00 0.00 0.00 0.00 60.65 61.03 1xpu s ILE 176 Cb -0.18 -4.85 0.00 0.00 0.01 0.00 0.00 42.46 37.44 1xpu s ILE 176 CO -0.25 -1.68 0.97 -0.69 0.00 0.00 0.00 174.94 173.28 1xpu s VAL 177 N 5.45 4.75 -0.11 2.92 1.01 0.53 -0.29 120.40 134.66 1xpu s VAL 177 Ca 0.37 1.90 -0.07 0.00 0.00 0.00 0.00 61.98 64.18 1xpu s VAL 177 Cb -0.08 -4.25 0.04 0.00 0.00 0.00 0.00 36.38 32.08 1xpu s VAL 177 CO 0.18 -0.10 0.26 0.00 0.00 0.00 0.00 175.10 175.44 1xpu s ALA 178 N 2.79 -0.63 1.00 5.51 0.00 -0.93 -0.93 121.76 128.56 1xpu s ALA 178 Ca 0.42 0.91 -0.17 0.00 0.00 0.00 0.00 51.96 53.13 1xpu s ALA 178 Cb -0.16 -0.56 0.22 0.00 0.00 0.00 0.00 23.12 22.63 1xpu s ALA 178 CO 0.09 -0.17 1.32 -2.14 0.00 0.00 0.00 175.76 174.86 1xpu s PRO 179 N 0.75 0.33 0.37 0.00 0.02 -1.26 -0.85 135.00 134.36 1xpu s PRO 179 Ca -0.05 -0.44 -0.27 0.00 0.02 0.00 0.00 61.00 60.26 1xpu s PRO 179 Cb -0.06 -1.81 -0.09 0.00 0.02 0.00 0.00 34.50 32.55 1xpu s PRO 179 CO -0.05 -2.62 1.25 -2.14 -0.33 0.00 0.00 177.00 173.12 1xpu s PRO 180 N -5.89 4.17 -0.47 5.54 0.02 -1.26 -4.26 135.00 132.86 1xpu s PRO 180 Ca 0.75 2.06 -0.20 0.00 0.02 0.00 0.00 61.00 63.63 1xpu s PRO 180 Cb -0.03 -2.88 0.03 0.00 0.02 0.00 0.00 34.50 31.64 1xpu s PRO 180 CO 0.54 -0.29 0.62 1.63 -0.33 0.00 0.00 177.00 179.17 1xpu n LYS 181 N 0.42 -2.17 0.00 5.54 5.02 -1.26 -4.98 118.16 120.73 1xpu n LYS 181 Ca 0.02 1.87 0.00 0.00 -2.02 0.00 0.00 58.31 58.18 1xpu n LYS 181 Cb 0.44 -4.70 0.00 0.00 -0.02 0.00 0.00 35.03 30.75 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 -0.45 0.00 0.00 7.82 0.00 -1.26 -4.85 120.51 121.77 1xpu n ALA 182 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1xpu n ALA 182 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 0.94 0.39 0.00 0.00 -1.26 -4.59 105.19 100.67 1xpu n GLY 183 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.95 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 0.00 -0.14 -0.69 1.61 3.11 -1.95 1.21 116.57 119.71 1xpu h LYS 184 Ca 0.00 0.01 -0.08 0.00 -2.81 0.00 0.00 60.65 57.77 1xpu h LYS 184 Cb 0.00 0.03 -0.03 0.00 -1.00 0.00 0.00 32.23 31.23 1xpu h LYS 184 CO 0.00 -0.09 0.14 1.15 -2.81 0.00 0.00 179.45 177.84 1xpu h THR 185 N -0.15 1.26 -0.02 1.00 2.02 -1.99 -1.75 112.91 113.29 1xpu h THR 185 Ca 0.22 -1.01 -0.20 0.00 0.77 0.00 0.00 66.41 66.18 1xpu h THR 185 Cb 0.55 0.58 -0.00 0.00 -1.74 0.00 0.00 68.15 67.54 1xpu h THR 185 CO -0.78 0.39 -0.86 0.24 0.37 0.00 0.00 175.52 174.88 1xpu h MET 186 N 1.06 0.33 -0.64 6.66 2.86 -1.56 0.50 114.93 124.14 1xpu h MET 186 Ca 0.21 -0.33 -0.08 0.00 -2.06 0.00 0.00 59.70 57.44 1xpu h MET 186 Cb 0.41 0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.14 1xpu h MET 186 CO 0.01 1.01 0.09 1.25 1.06 0.00 0.00 176.91 180.33 1xpu h LEU 187 N 0.20 1.01 -0.26 1.22 5.85 0.15 0.44 115.31 123.92 1xpu h LEU 187 Ca -0.05 -0.24 -0.10 0.00 0.84 0.00 0.00 57.88 58.32 1xpu h LEU 187 Cb 1.47 -0.27 -0.00 0.00 0.37 0.00 0.00 40.66 42.23 1xpu h LEU 187 CO 0.14 1.01 -0.24 -0.07 -0.34 0.00 0.00 178.44 178.95 1xpu h LEU 188 N 0.99 0.66 -1.44 2.25 3.38 -1.30 -1.77 115.31 118.08 1xpu h LEU 188 Ca 0.19 -0.46 0.10 0.00 0.09 0.00 0.00 57.88 57.80 1xpu h LEU 188 Cb 0.44 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 1xpu h LEU 188 CO 0.01 0.99 0.49 1.56 0.09 0.00 0.00 178.44 181.58 1xpu h GLN 189 N 0.35 0.60 0.04 1.13 4.20 -0.66 -2.07 115.11 118.70 1xpu h GLN 189 Ca 0.04 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 1xpu h GLN 189 Cb 0.79 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.44 1xpu h GLN 189 CO 0.06 0.40 -0.02 -0.97 -0.67 0.00 0.00 178.83 177.63 1xpu h ASN 190 N 0.62 -0.05 -0.99 1.46 -0.73 0.10 -3.22 115.58 112.77 1xpu h ASN 190 Ca 0.34 -0.48 0.04 0.00 1.87 0.00 0.00 56.30 58.08 1xpu h ASN 190 Cb 0.50 0.01 -0.06 0.00 0.27 0.00 0.00 38.32 39.05 1xpu h ASN 190 CO -0.12 0.47 0.64 0.40 -0.37 0.00 0.00 177.43 178.45 1xpu h ILE 191 N -0.58 1.15 0.00 2.57 2.04 -1.21 -1.42 117.51 120.05 1xpu h ILE 191 Ca -0.01 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.43 1xpu h ILE 191 Cb 0.52 -0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 1xpu h ILE 191 CO 0.01 0.22 0.19 0.00 0.00 0.00 0.00 178.15 178.57 1xpu h ALA 192 N 1.42 1.17 0.11 1.87 0.00 -1.38 -0.83 119.26 121.60 1xpu h ALA 192 Ca 0.40 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.97 1xpu h ALA 192 Cb 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1xpu h ALA 192 CO -0.14 -0.17 -1.90 0.94 0.00 0.00 0.00 179.25 177.98 1xpu n GLN 193 N -2.67 0.73 0.22 0.00 -0.06 -0.55 -3.07 117.38 111.98 1xpu n GLN 193 Ca -0.02 0.31 0.15 0.00 -2.00 0.00 0.00 57.00 55.44 1xpu n GLN 193 Cb 0.23 -1.71 0.77 0.00 -4.06 0.00 0.00 30.24 25.47 1xpu n GLN 193 CO 0.00 0.00 0.00 0.77 -0.20 0.00 0.00 177.06 177.63 1xpu h SER 194 N -0.09 0.00 0.00 1.69 0.02 -1.05 -2.34 113.55 111.77 1xpu h SER 194 Ca -0.42 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.46 1xpu h SER 194 Cb 1.92 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.45 1xpu h SER 194 CO 0.04 0.00 -0.64 0.40 -1.14 0.00 0.00 176.83 175.49 1xpu h ILE 195 N 0.00 0.36 0.00 3.27 1.08 -1.44 -3.12 117.51 117.66 1xpu h ILE 195 Ca 0.00 -1.41 0.00 0.00 -0.39 0.00 0.00 64.86 63.06 1xpu h ILE 195 Cb 0.12 0.82 0.00 0.00 -3.07 0.00 0.00 36.82 34.69 1xpu h ILE 195 CO 0.00 0.12 0.00 0.00 -0.69 0.00 0.00 178.15 177.58 1xpu n ALA 196 N -3.42 1.34 -0.03 1.87 0.00 -1.16 -1.27 120.51 117.85 1xpu n ALA 196 Ca -0.14 -0.03 -0.03 0.00 0.00 0.00 0.00 53.44 53.25 1xpu n ALA 196 Cb 0.37 -1.12 -0.01 0.00 0.00 0.00 0.00 19.45 18.69 1xpu n ALA 196 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1xpu n TYR 197 N -1.48 0.00 -0.08 0.00 9.36 -0.89 -4.49 117.16 119.57 1xpu n TYR 197 Ca 0.02 0.00 -0.08 0.00 3.32 0.00 0.00 57.90 61.16 1xpu n TYR 197 Cb 0.08 -0.16 0.09 0.00 -0.63 0.00 0.00 39.34 38.72 1xpu n TYR 197 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 1xpu h ASN 198 N -0.33 0.77 -2.18 2.98 -0.26 -1.60 -3.38 115.58 111.59 1xpu h ASN 198 Ca 0.00 -0.28 -0.58 0.00 -0.56 0.00 0.00 56.30 54.88 1xpu h ASN 198 Cb 0.33 -0.21 -0.40 0.00 -1.06 0.00 0.00 38.32 36.97 1xpu h ASN 198 CO 0.00 0.98 -0.87 1.41 -1.06 0.00 0.00 177.43 177.89 1xpu n HIS 199 N -4.11 1.34 0.47 1.19 8.25 -0.39 -4.89 115.22 117.08 1xpu n HIS 199 Ca -0.00 -3.81 0.12 0.00 -0.26 0.00 0.00 57.72 53.77 1xpu n HIS 199 Cb 0.44 -0.39 0.47 0.00 1.12 0.00 0.00 29.99 31.62 1xpu n HIS 199 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1xpu n PRO 200 N 1.37 0.21 0.28 -0.41 -0.02 -1.23 -2.78 135.00 132.43 1xpu n PRO 200 Ca 0.25 0.36 0.14 0.00 -2.02 0.00 0.00 63.50 62.23 1xpu n PRO 200 Cb 0.47 -1.85 0.84 0.00 -0.02 0.00 0.00 33.50 32.94 1xpu n PRO 200 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1xpu h ASP 201 N 0.00 0.00 -3.33 2.55 2.03 -1.90 -3.43 116.42 112.35 1xpu h ASP 201 Ca 0.00 0.00 -0.56 0.00 -0.73 0.00 0.00 57.03 55.74 1xpu h ASP 201 Cb 0.48 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.93 1xpu h ASP 201 CO 0.00 0.06 0.02 0.00 -1.03 0.00 0.00 179.24 178.29 1xpu s VAL 203 N -0.35 3.72 -0.11 0.00 1.01 -0.16 -4.92 120.40 119.60 1xpu s VAL 203 Ca 0.32 0.44 -0.24 0.00 0.00 0.00 0.00 61.98 62.50 1xpu s VAL 203 Cb -0.19 -4.85 -0.03 0.00 0.00 0.00 0.00 36.38 31.31 1xpu s VAL 203 CO 0.19 -1.76 0.75 -0.22 0.00 0.00 0.00 175.10 174.05 1xpu s LEU 204 N 5.85 4.26 -0.07 3.92 2.96 -1.26 -1.89 118.68 132.45 1xpu s LEU 204 Ca 0.37 1.17 0.03 0.00 -0.22 0.00 0.00 54.13 55.48 1xpu s LEU 204 Cb -0.08 -3.13 0.01 0.00 0.50 0.00 0.00 46.19 43.48 1xpu s LEU 204 CO 0.16 -0.23 -0.17 -0.04 -1.32 0.00 0.00 176.35 174.76 1xpu s MET 205 N 1.36 2.13 -0.21 1.98 -1.94 0.80 -2.12 119.30 121.30 1xpu s MET 205 Ca 0.37 -0.59 -0.03 0.00 -1.71 0.00 0.00 55.69 53.73 1xpu s MET 205 Cb -0.17 -1.71 -0.01 0.00 2.01 0.00 0.00 34.83 34.95 1xpu s MET 205 CO 0.16 0.11 -0.06 0.08 -0.01 0.00 0.00 175.02 175.31 1xpu s VAL 206 N 0.45 3.31 -0.27 -6.03 1.01 0.10 -1.56 120.40 117.41 1xpu s VAL 206 Ca -0.14 -0.52 -0.04 0.00 0.00 0.00 0.00 61.98 61.28 1xpu s VAL 206 Cb -0.16 -2.49 0.01 0.00 0.00 0.00 0.00 36.38 33.75 1xpu s VAL 206 CO 0.05 0.44 0.01 -0.22 0.00 0.00 0.00 175.10 175.38 1xpu s LEU 207 N 1.30 3.49 -0.13 3.92 2.96 0.10 -0.89 118.68 129.43 1xpu s LEU 207 Ca 0.04 -0.73 -0.01 0.00 -0.22 0.00 0.00 54.13 53.20 1xpu s LEU 207 Cb -0.14 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.74 1xpu s LEU 207 CO -0.03 -0.15 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.01 1xpu s LEU 208 N 1.43 2.95 -0.12 -0.68 1.43 -0.91 0.14 118.68 122.93 1xpu s LEU 208 Ca 0.02 -0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 52.78 1xpu s LEU 208 Cb -0.17 -1.68 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 1xpu s LEU 208 CO -0.01 0.19 -0.24 -0.38 0.23 0.00 0.00 176.35 176.15 1xpu n ILE 209 N 3.37 1.03 -1.21 -0.59 2.08 -1.22 0.17 119.36 122.99 1xpu n ILE 209 Ca -0.18 0.25 -0.03 0.00 0.56 0.00 0.00 62.75 63.35 1xpu n ILE 209 Cb 0.53 -2.07 0.24 0.00 -0.75 0.00 0.00 39.64 37.59 1xpu n ILE 209 CO 0.00 0.00 0.00 -0.67 0.56 0.00 0.00 176.55 176.44 1xpu n ASP 210 N -3.84 3.53 -4.73 4.38 -0.08 -1.25 -3.73 116.55 110.83 1xpu n ASP 210 Ca -0.09 -3.42 -0.34 0.00 -1.51 0.00 0.00 54.79 49.42 1xpu n ASP 210 Cb 0.35 -0.66 0.09 0.00 2.34 0.00 0.00 41.12 43.24 1xpu n ASP 210 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1xpu s GLU 211 N -3.08 2.20 0.25 -0.67 2.56 -0.87 -2.91 118.70 116.18 1xpu s GLU 211 Ca 0.48 1.73 -0.30 0.00 0.00 0.00 0.00 54.97 56.88 1xpu s GLU 211 Cb 0.40 -1.84 -0.09 0.00 2.00 0.00 0.00 34.13 34.60 1xpu s GLU 211 CO 0.07 -1.78 0.99 1.03 -0.56 0.00 0.00 175.26 175.01 1xpu s ARG 212 N -3.92 4.79 0.24 4.30 0.52 -1.26 -1.37 118.95 122.25 1xpu s ARG 212 Ca 0.74 1.59 -0.07 0.00 -0.52 0.00 0.00 55.73 57.46 1xpu s ARG 212 Cb -0.28 -3.25 0.42 0.00 0.52 0.00 0.00 34.95 32.35 1xpu s ARG 212 CO 0.45 0.42 1.65 -1.35 0.02 0.00 0.00 175.30 176.49 1xpu h PRO 213 N 4.04 0.13 0.00 3.54 0.11 -1.94 -0.73 132.00 137.15 1xpu h PRO 213 Ca -0.46 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 1xpu h PRO 213 Cb 1.20 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 1xpu h PRO 213 CO 0.68 0.08 -0.00 1.05 -0.21 0.00 0.00 178.00 179.60 1xpu h GLU 214 N 0.13 0.00 0.00 1.05 9.09 -2.02 -2.79 114.58 120.03 1xpu h GLU 214 Ca 0.40 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.81 1xpu h GLU 214 Cb 0.69 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.79 1xpu h GLU 214 CO -0.61 0.00 0.00 1.49 0.05 0.00 0.00 179.01 179.94 1xpu h GLU 215 N 0.00 0.00 0.01 1.06 4.57 -1.53 -3.29 114.58 115.40 1xpu h GLU 215 Ca -0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 1xpu h GLU 215 Cb 0.79 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.38 1xpu h GLU 215 CO 0.00 0.00 -0.05 0.28 -1.18 0.00 0.00 179.01 178.06 1xpu h VAL 216 N 0.00 1.78 -0.15 0.32 2.07 -1.30 -3.25 116.25 115.71 1xpu h VAL 216 Ca 0.00 -2.36 -0.01 0.00 0.82 0.00 0.00 66.70 65.15 1xpu h VAL 216 Cb 0.68 3.38 -0.01 0.00 -1.52 0.00 0.00 31.29 33.82 1xpu h VAL 216 CO 0.00 0.61 0.05 0.71 0.02 0.00 0.00 177.57 178.96 1xpu h THR 217 N -0.98 1.07 -0.64 2.57 1.35 -1.65 0.18 112.91 114.82 1xpu h THR 217 Ca -0.01 -0.24 -0.07 0.00 -0.55 0.00 0.00 66.41 65.54 1xpu h THR 217 Cb 1.03 0.91 -0.03 0.00 -1.73 0.00 0.00 68.15 68.33 1xpu h THR 217 CO 0.00 0.09 0.11 -0.08 -0.25 0.00 0.00 175.52 175.39 1xpu h GLU 218 N 0.21 1.03 -0.18 4.72 4.81 -1.70 -2.85 114.58 120.63 1xpu h GLU 218 Ca 0.05 -0.26 -0.15 0.00 -0.13 0.00 0.00 59.36 58.88 1xpu h GLU 218 Cb 0.07 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1xpu h GLU 218 CO -0.00 0.95 -0.46 1.98 -0.73 0.00 0.00 179.01 180.75 1xpu h MET 219 N 0.97 0.63 -0.64 1.92 4.05 -1.06 -2.94 114.93 117.87 1xpu h MET 219 Ca 0.20 -0.44 0.14 0.00 -0.28 0.00 0.00 59.70 59.32 1xpu h MET 219 Cb 0.41 0.07 -0.04 0.00 -0.80 0.00 0.00 31.60 31.24 1xpu h MET 219 CO 0.01 1.06 0.44 1.96 0.23 0.00 0.00 176.91 180.60 1xpu h GLN 220 N 0.31 0.27 -0.00 0.39 4.20 -0.68 -1.68 115.11 117.92 1xpu h GLN 220 Ca -0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1xpu h GLN 220 Cb 1.07 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.79 1xpu h GLN 220 CO 0.10 0.18 -0.93 0.54 -0.67 0.00 0.00 178.83 178.05 1xpu n ARG 221 N -4.44 0.11 -0.12 1.46 1.74 -1.08 -4.36 116.66 109.96 1xpu n ARG 221 Ca 0.12 -0.09 -0.16 0.00 -0.77 0.00 0.00 57.85 56.95 1xpu n ARG 221 Cb 0.51 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.34 1xpu n ARG 221 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1xpu n LEU 222 N -1.37 2.72 -4.67 0.55 4.77 -1.04 -4.91 117.00 113.05 1xpu n LEU 222 Ca 0.05 -0.12 -0.43 0.00 -0.03 0.00 0.00 56.01 55.48 1xpu n LEU 222 Cb 0.34 -0.73 -0.02 0.00 -2.33 0.00 0.00 43.42 40.68 1xpu n LEU 222 CO 0.41 0.87 1.06 -0.69 -1.33 0.00 0.00 177.39 177.71 1xpu s VAL 223 N -2.48 4.23 -1.20 4.08 1.01 -0.66 -4.93 120.40 120.46 1xpu s VAL 223 Ca -0.30 1.51 -0.12 0.00 0.00 0.00 0.00 61.98 63.08 1xpu s VAL 223 Cb 0.08 -3.98 0.20 0.00 0.00 0.00 0.00 36.38 32.69 1xpu s VAL 223 CO 0.57 -0.10 1.44 0.29 0.00 0.00 0.00 175.10 177.30 1xpu n LYS 224 N 6.23 3.50 0.00 2.72 5.02 -1.26 -4.83 118.16 129.54 1xpu n LYS 224 Ca 0.13 -3.97 0.00 0.00 -2.02 0.00 0.00 58.31 52.46 1xpu n LYS 224 Cb 0.45 -2.90 0.00 0.00 -0.02 0.00 0.00 35.03 32.56 1xpu n LYS 224 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xpu n GLY 225 N 3.46 1.98 3.09 0.72 0.00 -1.26 -4.76 105.19 108.42 1xpu n GLY 225 Ca 0.34 0.07 -0.33 0.00 0.00 0.00 0.00 46.02 46.10 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 4.57 1.97 -0.39 1.61 2.12 -0.90 -5.05 118.70 122.62 1xpu s GLU 226 Ca 0.00 -1.63 -0.20 0.00 0.36 0.00 0.00 54.97 53.51 1xpu s GLU 226 Cb 0.00 -3.24 0.01 0.00 0.26 0.00 0.00 34.13 31.16 1xpu s GLU 226 CO 0.00 -0.83 0.58 0.08 -0.54 0.00 0.00 175.26 174.55 1xpu s VAL 227 N 1.08 4.92 -0.20 3.70 1.01 -1.26 -0.73 120.40 128.92 1xpu s VAL 227 Ca 0.03 0.23 -0.00 0.00 0.00 0.00 0.00 61.98 62.24 1xpu s VAL 227 Cb -0.20 -4.09 0.02 0.00 0.00 0.00 0.00 36.38 32.10 1xpu s VAL 227 CO -0.05 -0.41 -0.14 -0.69 0.00 0.00 0.00 175.10 173.81 1xpu s VAL 228 N 2.60 2.45 0.03 2.92 1.01 -0.07 -4.83 120.40 124.52 1xpu s VAL 228 Ca 0.21 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.31 1xpu s VAL 228 Cb -0.15 -2.10 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 1xpu s VAL 228 CO 0.16 0.44 -0.06 0.00 0.00 0.00 0.00 175.10 175.64 1xpu s ALA 229 N 1.32 0.40 0.18 5.51 0.00 -1.26 -2.13 121.76 125.78 1xpu s ALA 229 Ca 0.04 -0.69 0.11 0.00 0.00 0.00 0.00 51.96 51.41 1xpu s ALA 229 Cb -0.14 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.02 1xpu s ALA 229 CO -0.09 -0.07 -0.24 0.45 0.00 0.00 0.00 175.76 175.81 1xpu s SER 230 N -1.52 3.32 0.19 0.00 0.15 0.13 -4.80 113.70 111.16 1xpu s SER 230 Ca -0.12 -0.85 0.08 0.00 0.70 0.00 0.00 55.95 55.76 1xpu s SER 230 Cb -0.10 -0.24 -0.04 0.00 -1.71 0.00 0.00 66.02 63.93 1xpu s SER 230 CO -0.00 0.11 -0.02 0.42 1.20 0.00 0.00 173.24 174.94 1xpu s THR 231 N -1.62 3.56 -0.41 6.45 -4.23 -1.24 -2.06 115.64 116.08 1xpu s THR 231 Ca 0.19 -1.54 0.14 0.00 -1.18 0.00 0.00 61.69 59.30 1xpu s THR 231 Cb -0.08 -2.79 0.14 0.00 1.34 0.00 0.00 72.50 71.10 1xpu s THR 231 CO 0.09 -0.14 1.39 2.22 -0.54 0.00 0.00 174.62 177.64 1xpu n PHE 232 N -0.17 0.46 0.26 3.99 1.16 -0.47 -0.64 117.46 122.06 1xpu n PHE 232 Ca -0.10 0.24 0.12 0.00 -1.87 0.00 0.00 57.45 55.85 1xpu n PHE 232 Cb 0.56 -0.85 0.69 0.00 -1.61 0.00 0.00 39.48 38.27 1xpu n PHE 232 CO 0.00 0.00 0.00 0.22 -1.87 0.00 0.00 176.76 175.11 1xpu h ASP 233 N 0.00 0.00 -2.53 5.98 1.82 -1.89 -3.46 116.42 116.34 1xpu h ASP 233 Ca 0.00 0.00 -0.54 0.00 -0.39 0.00 0.00 57.03 56.10 1xpu h ASP 233 Cb 0.09 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.07 1xpu h ASP 233 CO 0.00 0.13 -0.49 -1.61 -1.61 0.00 0.00 179.24 175.67 1xpu s GLU 234 N -4.20 3.30 1.01 0.28 2.02 0.19 -5.10 118.70 116.20 1xpu s GLU 234 Ca -0.03 -0.70 -0.11 0.00 0.02 0.00 0.00 54.97 54.15 1xpu s GLU 234 Cb 0.13 -2.87 0.20 0.00 0.10 0.00 0.00 34.13 31.69 1xpu s GLU 234 CO 0.60 0.50 1.09 -2.14 0.02 0.00 0.00 175.26 175.32 1xpu s PRO 235 N -3.31 0.30 0.31 0.39 0.02 -1.26 -4.85 135.00 126.60 1xpu s PRO 235 Ca 0.34 1.14 0.02 0.00 0.02 0.00 0.00 61.00 62.52 1xpu s PRO 235 Cb -0.10 -1.67 0.51 0.00 0.02 0.00 0.00 34.50 33.25 1xpu s PRO 235 CO 0.27 -2.99 1.83 0.00 -0.33 0.00 0.00 177.00 175.79 1xpu h ALA 236 N -2.11 1.28 -0.26 -1.55 0.00 -1.98 -2.06 119.26 112.58 1xpu h ALA 236 Ca -0.52 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.15 1xpu h ALA 236 Cb 1.30 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 1xpu h ALA 236 CO 0.47 0.49 0.06 0.66 0.00 0.00 0.00 179.25 180.93 1xpu h SER 237 N 0.58 0.34 -0.39 0.00 4.64 -1.92 -2.66 113.55 114.15 1xpu h SER 237 Ca 0.12 -0.04 -0.16 0.00 -0.47 0.00 0.00 61.79 61.25 1xpu h SER 237 Cb 0.37 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 1xpu h SER 237 CO 0.01 0.35 -0.37 -0.09 -0.87 0.00 0.00 176.83 175.86 1xpu h ARG 238 N 0.37 0.94 -0.34 4.77 9.65 -1.73 -1.83 114.38 126.21 1xpu h ARG 238 Ca 0.09 -0.49 0.04 0.00 -1.10 0.00 0.00 59.98 58.52 1xpu h ARG 238 Cb 0.15 0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.71 1xpu h ARG 238 CO -0.00 1.15 0.10 0.45 2.80 0.00 0.00 179.97 184.47 1xpu h HIS 239 N 0.76 0.18 -0.08 2.20 3.86 -1.21 -2.79 115.15 118.07 1xpu h HIS 239 Ca 0.06 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.29 1xpu h HIS 239 Cb 0.97 -0.03 -0.00 0.00 1.06 0.00 0.00 27.41 29.41 1xpu h HIS 239 CO 0.06 0.07 0.03 0.28 0.86 0.00 0.00 177.93 179.24 1xpu h VAL 240 N 0.24 1.14 -0.62 2.45 2.07 -1.42 -2.65 116.25 117.45 1xpu h VAL 240 Ca 0.16 -0.40 0.13 0.00 0.82 0.00 0.00 66.70 67.40 1xpu h VAL 240 Cb 0.14 1.26 -0.10 0.00 -1.52 0.00 0.00 31.29 31.07 1xpu h VAL 240 CO -0.17 0.12 0.07 -0.61 0.02 0.00 0.00 177.57 177.00 1xpu h GLN 241 N -0.02 0.18 -0.08 1.57 4.15 -1.25 -0.75 115.11 118.93 1xpu h GLN 241 Ca 0.03 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1xpu h GLN 241 Cb 0.16 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.80 1xpu h GLN 241 CO -0.00 0.12 0.05 0.28 -1.93 0.00 0.00 178.83 177.35 1xpu h VAL 242 N 0.19 1.04 -0.72 2.39 2.07 -1.41 -1.75 116.25 118.06 1xpu h VAL 242 Ca 0.33 -0.09 0.06 0.00 0.82 0.00 0.00 66.70 67.83 1xpu h VAL 242 Cb 0.53 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1xpu h VAL 242 CO -0.47 0.03 0.47 0.00 0.02 0.00 0.00 177.57 177.62 1xpu h ALA 243 N 1.01 1.71 -0.03 1.67 0.00 -0.92 -1.32 119.26 121.38 1xpu h ALA 243 Ca 0.03 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1xpu h ALA 243 Cb 0.01 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1xpu h ALA 243 CO -0.01 0.18 -0.22 0.93 0.00 0.00 0.00 179.25 180.13 1xpu h GLU 244 N 0.74 0.19 -0.07 0.00 5.08 -0.95 -1.54 114.58 118.04 1xpu h GLU 244 Ca 0.31 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1xpu h GLU 244 Cb 0.26 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1xpu h GLU 244 CO -0.10 0.86 -0.02 0.52 -1.00 0.00 0.00 179.01 179.27 1xpu h MET 245 N -0.42 0.10 0.07 2.33 2.86 -1.10 0.20 114.93 118.99 1xpu h MET 245 Ca -0.02 -0.01 -0.28 0.00 -2.06 0.00 0.00 59.70 57.33 1xpu h MET 245 Cb 0.91 -0.02 0.02 0.00 0.06 0.00 0.00 31.60 32.57 1xpu h MET 245 CO 0.04 0.13 -1.15 0.28 1.06 0.00 0.00 176.91 177.28 1xpu h VAL 246 N 0.10 1.32 0.00 -2.22 2.07 -1.28 -2.74 116.25 113.50 1xpu h VAL 246 Ca 0.03 -2.47 -0.14 0.00 0.82 0.00 0.00 66.70 64.93 1xpu h VAL 246 Cb 0.11 2.60 -0.02 0.00 -1.52 0.00 0.00 31.29 32.46 1xpu h VAL 246 CO 0.00 0.75 -0.67 -0.29 0.02 0.00 0.00 177.57 177.38 1xpu h ILE 247 N 0.27 1.30 0.13 4.57 6.09 -0.69 -2.58 117.51 126.60 1xpu h ILE 247 Ca -0.15 -2.43 -0.17 0.00 -1.37 0.00 0.00 64.86 60.74 1xpu h ILE 247 Cb 1.81 2.38 0.02 0.00 0.47 0.00 0.00 36.82 41.50 1xpu h ILE 247 CO 0.21 0.65 -0.76 -0.33 -3.07 0.00 0.00 178.15 174.86 1xpu h GLU 248 N 0.00 0.29 -0.81 2.19 4.39 -0.71 -2.13 114.58 117.81 1xpu h GLU 248 Ca -0.01 -0.48 0.01 0.00 0.34 0.00 0.00 59.36 59.22 1xpu h GLU 248 Cb 1.32 0.18 -0.04 0.00 -0.10 0.00 0.00 28.75 30.11 1xpu h GLU 248 CO 0.09 1.22 0.53 -0.22 -1.16 0.00 0.00 179.01 179.47 1xpu h LYS 249 N -0.39 1.06 0.32 2.33 3.64 -1.59 -0.25 116.57 121.69 1xpu h LYS 249 Ca -0.13 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.18 1xpu h LYS 249 Cb 1.59 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 33.15 1xpu h LYS 249 CO 0.14 0.70 -0.27 0.00 -2.27 0.00 0.00 179.45 177.75 1xpu h ALA 250 N 1.30 -0.60 -0.53 5.00 0.00 -1.52 -0.79 119.26 122.11 1xpu h ALA 250 Ca 0.30 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.20 1xpu h ALA 250 Cb -0.12 0.37 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 1xpu h ALA 250 CO -0.07 -0.87 0.10 0.87 0.00 0.00 0.00 179.25 179.29 1xpu h LYS 251 N -0.61 0.23 -0.69 0.00 1.57 -1.18 -1.04 116.57 114.85 1xpu h LYS 251 Ca -0.02 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.79 1xpu h LYS 251 Cb 0.54 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.76 1xpu h LYS 251 CO -0.02 0.15 0.46 0.00 -0.57 0.00 0.00 179.45 179.46 1xpu h ARG 252 N 0.23 0.77 0.01 3.15 -0.00 -0.79 -2.08 114.38 115.68 1xpu h ARG 252 Ca 0.27 -0.05 -0.23 0.00 -0.50 0.00 0.00 59.98 59.48 1xpu h ARG 252 Cb 0.38 -0.17 0.00 0.00 0.00 0.00 0.00 29.97 30.18 1xpu h ARG 252 CO -0.36 0.51 -0.96 -0.07 0.00 0.00 0.00 179.97 179.09 1xpu h LEU 253 N 0.79 0.50 -1.49 3.04 3.38 -0.21 -3.16 115.31 118.17 1xpu h LEU 253 Ca 0.28 -0.41 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1xpu h LEU 253 Cb 0.13 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1xpu h LEU 253 CO -0.08 1.22 -0.26 0.58 0.09 0.00 0.00 178.44 179.98 1xpu h VAL 254 N 0.20 1.03 -0.14 1.22 2.07 -0.83 -2.39 116.25 117.41 1xpu h VAL 254 Ca -0.08 -0.94 -0.04 0.00 0.82 0.00 0.00 66.70 66.46 1xpu h VAL 254 Cb 1.61 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.89 1xpu h VAL 254 CO 0.16 0.25 -0.10 -0.33 0.02 0.00 0.00 177.57 177.57 1xpu h GLU 255 N 0.00 0.21 -0.95 1.57 5.08 -1.35 -0.73 114.58 118.42 1xpu h GLU 255 Ca -0.00 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.23 1xpu h GLU 255 Cb 0.51 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.67 1xpu h GLU 255 CO 0.03 0.33 0.11 0.72 -1.00 0.00 0.00 179.01 179.20 1xpu n HIS 256 N -4.31 0.77 -2.25 4.33 8.25 -0.92 -4.85 115.22 116.24 1xpu n HIS 256 Ca -0.01 -0.60 -0.17 0.00 -0.26 0.00 0.00 57.72 56.68 1xpu n HIS 256 Cb 0.24 -0.35 -0.02 0.00 1.12 0.00 0.00 29.99 30.98 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 0.09 -1.84 -3.84 -0.41 5.02 -0.28 -4.96 118.16 111.94 1xpu n LYS 257 Ca 0.13 0.85 -0.37 0.00 -2.02 0.00 0.00 58.31 56.91 1xpu n LYS 257 Cb 0.71 -5.43 -0.06 0.00 -0.02 0.00 0.00 35.03 30.23 1xpu n LYS 257 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1xpu s LYS 258 N -4.74 3.49 -0.00 1.97 2.47 -1.08 -3.82 119.74 118.02 1xpu s LYS 258 Ca 0.00 -0.09 -0.28 0.00 -1.56 0.00 0.00 55.97 54.05 1xpu s LYS 258 Cb 0.00 -3.18 -0.04 0.00 -1.46 0.00 0.00 37.83 33.15 1xpu s LYS 258 CO 0.00 0.76 0.88 -0.51 0.16 0.00 0.00 175.35 176.64 1xpu s ASP 259 N -1.13 7.26 -0.00 1.43 1.11 -1.26 -3.86 116.67 120.22 1xpu s ASP 259 Ca 0.17 1.52 0.07 0.00 0.18 0.00 0.00 52.55 54.50 1xpu s ASP 259 Cb -0.13 -2.52 -0.02 0.00 1.07 0.00 0.00 42.92 41.33 1xpu s ASP 259 CO 0.06 -0.17 -0.23 -0.69 1.18 0.00 0.00 175.17 175.33 1xpu s VAL 260 N 0.73 1.79 -0.14 -1.27 1.01 -0.34 -0.98 120.40 121.20 1xpu s VAL 260 Ca 0.46 -1.04 0.00 0.00 0.00 0.00 0.00 61.98 61.41 1xpu s VAL 260 Cb -0.20 -1.50 0.02 0.00 0.00 0.00 0.00 36.38 34.70 1xpu s VAL 260 CO 0.25 0.44 -0.14 -0.63 0.00 0.00 0.00 175.10 175.03 1xpu s ILE 261 N -0.60 1.50 -0.28 2.22 -1.09 -0.79 -1.58 121.20 120.58 1xpu s ILE 261 Ca 0.09 -0.60 -0.02 0.00 -2.23 0.00 0.00 60.65 57.89 1xpu s ILE 261 Cb -0.09 -1.41 0.04 0.00 -1.58 0.00 0.00 42.46 39.42 1xpu s ILE 261 CO -0.00 0.45 -0.01 -0.63 -1.23 0.00 0.00 174.94 173.51 1xpu s ILE 262 N 1.44 3.03 -0.37 2.92 1.01 0.69 -0.14 121.20 129.77 1xpu s ILE 262 Ca 0.03 -1.22 -0.18 0.00 0.00 0.00 0.00 60.65 59.29 1xpu s ILE 262 Cb -0.13 -2.67 0.00 0.00 0.01 0.00 0.00 42.46 39.68 1xpu s ILE 262 CO -0.09 0.00 0.50 -0.76 0.00 0.00 0.00 174.94 174.59 1xpu s LEU 263 N 1.30 4.47 -0.22 2.97 1.43 -0.60 -0.95 118.68 127.07 1xpu s LEU 263 Ca -0.03 -0.20 -0.07 0.00 -1.03 0.00 0.00 54.13 52.79 1xpu s LEU 263 Cb -0.19 -2.54 -0.03 0.00 0.03 0.00 0.00 46.19 43.46 1xpu s LEU 263 CO -0.02 -0.52 0.07 -0.22 0.23 0.00 0.00 176.35 175.89 1xpu s LEU 264 N 2.36 3.61 -0.46 1.79 2.96 -0.76 0.03 118.68 128.20 1xpu s LEU 264 Ca 0.17 -0.08 -0.28 0.00 -0.22 0.00 0.00 54.13 53.72 1xpu s LEU 264 Cb -0.16 -1.94 0.03 0.00 0.50 0.00 0.00 46.19 44.62 1xpu s LEU 264 CO 0.14 0.06 1.07 -0.62 -1.32 0.00 0.00 176.35 175.67 1xpu s ASP 265 N 1.07 6.61 -0.07 3.68 -1.08 0.38 -1.16 116.67 126.11 1xpu s ASP 265 Ca 0.04 0.40 -0.05 0.00 -0.52 0.00 0.00 52.55 52.42 1xpu s ASP 265 Cb -0.14 -2.52 0.02 0.00 -1.46 0.00 0.00 42.92 38.82 1xpu s ASP 265 CO 0.03 -1.17 0.10 -1.54 0.52 0.00 0.00 175.17 173.12 1xpu n SER 266 N 7.57 -5.34 0.19 -0.34 3.41 -1.20 -3.44 113.62 114.47 1xpu n SER 266 Ca 0.10 1.55 0.07 0.00 -0.26 0.00 0.00 58.87 60.33 1xpu n SER 266 Cb 0.49 -5.01 0.28 0.00 -0.26 0.00 0.00 64.21 59.72 1xpu n SER 266 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 1xpu h ILE 267 N 3.96 0.66 -0.21 -1.33 6.09 -0.82 -3.25 117.51 122.60 1xpu h ILE 267 Ca -0.24 -1.52 -0.10 0.00 -1.37 0.00 0.00 64.86 61.63 1xpu h ILE 267 Cb 0.54 2.01 -0.00 0.00 0.47 0.00 0.00 36.82 39.84 1xpu h ILE 267 CO 0.00 0.31 -0.26 0.71 -3.07 0.00 0.00 178.15 175.85 1xpu h THR 268 N 0.00 1.33 0.00 2.19 1.35 -1.92 -0.54 112.91 115.32 1xpu h THR 268 Ca -0.00 -1.45 -0.04 0.00 -0.55 0.00 0.00 66.41 64.37 1xpu h THR 268 Cb 0.99 1.78 -0.01 0.00 -1.73 0.00 0.00 68.15 69.18 1xpu h THR 268 CO 0.04 0.45 -0.17 0.03 -0.25 0.00 0.00 175.52 175.62 1xpu h ARG 269 N 0.23 0.00 -0.05 4.72 2.47 -1.90 -1.05 114.38 118.81 1xpu h ARG 269 Ca 0.03 0.00 -0.24 0.00 -1.26 0.00 0.00 59.98 58.51 1xpu h ARG 269 Cb 0.83 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.16 1xpu h ARG 269 CO 0.06 0.17 -0.90 1.25 0.56 0.00 0.00 179.97 181.11 1xpu h LEU 270 N 0.00 0.87 -1.13 3.04 5.85 -1.55 -3.03 115.31 119.35 1xpu h LEU 270 Ca -0.00 -0.71 -0.07 0.00 0.84 0.00 0.00 57.88 57.94 1xpu h LEU 270 Cb 0.61 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1xpu h LEU 270 CO 0.02 1.45 -0.17 0.00 -0.34 0.00 0.00 178.44 179.40 1xpu h ALA 271 N 0.43 1.28 -0.64 1.25 0.00 -0.61 -2.04 119.26 118.93 1xpu h ALA 271 Ca -0.10 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 1xpu h ALA 271 Cb 1.55 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 1xpu h ALA 271 CO 0.18 0.48 0.25 0.00 0.00 0.00 0.00 179.25 180.15 1xpu h ARG 272 N 0.37 0.95 0.33 0.00 2.47 -1.27 -1.73 114.38 115.50 1xpu h ARG 272 Ca 0.07 -0.16 -0.02 0.00 -1.26 0.00 0.00 59.98 58.61 1xpu h ARG 272 Cb 0.52 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 28.68 1xpu h ARG 272 CO 0.03 0.78 -0.16 0.00 0.56 0.00 0.00 179.97 181.19 1xpu h ALA 273 N 1.34 -0.44 -0.79 0.04 0.00 -1.25 -2.89 119.26 115.27 1xpu h ALA 273 Ca 0.22 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.03 1xpu h ALA 273 Cb 0.20 0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1xpu h ALA 273 CO -0.02 -0.64 0.52 1.88 0.00 0.00 0.00 179.25 180.99 1xpu h TYR 274 N -0.65 0.88 -0.66 0.00 0.05 -1.46 -2.20 116.97 112.93 1xpu h TYR 274 Ca -0.04 0.02 0.09 0.00 0.05 0.00 0.00 58.73 58.85 1xpu h TYR 274 Cb 0.46 -0.29 -0.04 0.00 1.01 0.00 0.00 36.73 37.87 1xpu h TYR 274 CO -0.00 0.48 0.44 -0.97 -1.05 0.00 0.00 178.16 177.05 1xpu h ASN 275 N 0.88 0.47 0.40 3.88 -1.24 -1.11 -0.02 115.58 118.85 1xpu h ASN 275 Ca 0.33 0.01 -0.23 0.00 0.71 0.00 0.00 56.30 57.12 1xpu h ASN 275 Cb 0.19 -0.09 -0.04 0.00 0.73 0.00 0.00 38.32 39.11 1xpu h ASN 275 CO -0.11 0.29 -1.79 0.35 -1.29 0.00 0.00 177.43 174.88 1xpu n THR 276 N -4.48 1.22 0.04 -3.57 -2.24 -1.02 -4.46 114.28 99.77 1xpu n THR 276 Ca 0.11 -0.74 -0.10 0.00 -2.27 0.00 0.00 64.05 61.05 1xpu n THR 276 Cb 0.34 -0.66 -0.07 0.00 -2.10 0.00 0.00 70.33 67.84 1xpu n THR 276 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1xpu h VAL 277 N 0.00 0.80 -2.92 2.28 2.07 -1.02 -3.45 116.25 114.02 1xpu h VAL 277 Ca -0.27 -1.20 -0.53 0.00 0.82 0.00 0.00 66.70 65.52 1xpu h VAL 277 Cb 1.79 1.37 0.04 0.00 -1.52 0.00 0.00 31.29 32.98 1xpu h VAL 277 CO 0.04 0.22 0.84 -0.69 0.02 0.00 0.00 177.57 178.00 1xpu s VAL 278 N -3.11 2.74 0.84 2.57 1.01 -0.05 -5.00 120.40 119.41 1xpu s VAL 278 Ca -0.12 0.54 -0.11 0.00 0.00 0.00 0.00 61.98 62.30 1xpu s VAL 278 Cb 0.00 -3.35 0.10 0.00 0.00 0.00 0.00 36.38 33.13 1xpu s VAL 278 CO 0.43 0.05 1.09 -2.16 0.00 0.00 0.00 175.10 174.51 1xpu s PRO 279 N 0.96 1.70 1.26 2.72 0.04 -1.26 -4.88 135.00 135.54 1xpu s PRO 279 Ca 0.68 1.07 -0.16 0.00 0.04 0.00 0.00 61.00 62.63 1xpu s PRO 279 Cb -0.42 -1.84 0.31 0.00 0.04 0.00 0.00 34.50 32.58 1xpu s PRO 279 CO 0.32 -2.01 0.87 0.00 0.04 0.00 0.00 177.00 176.23 1xpu n ALA 280 N -3.76 -3.67 -1.57 8.56 0.00 -1.26 -4.91 120.51 113.90 1xpu n ALA 280 Ca 0.08 -1.42 0.00 0.00 0.00 0.00 0.00 53.44 52.10 1xpu n ALA 280 Cb 0.54 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 18.17 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 -5.20 0.00 -3.80 0.00 0.24 -1.26 -4.99 118.33 103.33 1xpu n VAL 284 Ca 0.05 0.00 -0.36 0.00 -2.04 0.00 0.00 64.34 61.98 1xpu n VAL 284 Cb 0.56 -1.10 -0.13 0.00 -1.47 0.00 0.00 33.84 31.70 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 -0.77 3.50 -0.01 1.34 1.43 -1.26 -1.01 118.68 121.90 1xpu s LEU 285 Ca 0.00 -0.51 -0.00 0.00 -1.03 0.00 0.00 54.13 52.59 1xpu s LEU 285 Cb 0.00 -1.85 -0.00 0.00 0.03 0.00 0.00 46.19 44.37 1xpu s LEU 285 CO 0.00 -0.11 0.07 0.74 0.23 0.00 0.00 176.35 177.28 1xpu h THR 286 N 5.75 0.00 -0.86 5.49 2.02 -1.78 -3.43 112.91 120.10 1xpu h THR 286 Ca -0.36 -0.07 -0.41 0.00 0.77 0.00 0.00 66.41 66.35 1xpu h THR 286 Cb 1.15 0.00 -0.41 0.00 -1.74 0.00 0.00 68.15 67.15 1xpu h THR 286 CO 0.60 0.00 -1.00 0.61 0.37 0.00 0.00 175.52 176.10 1xpu n GLY 287 N 1.79 3.58 0.00 2.16 0.00 -1.26 -4.88 105.19 106.57 1xpu n GLY 287 Ca -0.00 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.46 3.16 3.69 -0.02 0.00 -1.26 -3.83 105.19 106.46 1xpu n GLY 288 Ca 0.22 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.82 5.18 -0.19 1.61 0.11 -1.26 -5.03 120.40 118.00 1xpu s VAL 289 Ca 0.00 0.82 -0.29 0.00 -2.93 0.00 0.00 61.98 59.58 1xpu s VAL 289 Cb 0.00 -3.77 -0.04 0.00 -1.53 0.00 0.00 36.38 31.03 1xpu s VAL 289 CO 0.00 0.26 1.90 -0.62 -3.33 0.00 0.00 175.10 173.31 1xpu s ASP 290 N 0.91 6.04 0.32 3.54 2.15 -1.26 -1.97 116.67 126.40 1xpu s ASP 290 Ca 0.22 1.86 0.04 0.00 0.43 0.00 0.00 52.55 55.10 1xpu s ASP 290 Cb -0.15 -2.52 0.65 0.00 -0.30 0.00 0.00 42.92 40.59 1xpu s ASP 290 CO 0.09 -1.50 1.87 0.00 -0.17 0.00 0.00 175.17 175.46 1xpu h ALA 291 N 12.34 1.63 0.00 3.66 0.00 -1.46 -0.77 119.26 134.66 1xpu h ALA 291 Ca -0.39 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.53 1xpu h ALA 291 Cb 1.20 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1xpu h ALA 291 CO 0.98 0.15 0.00 0.27 0.00 0.00 0.00 179.25 180.65 1xpu n ASN 292 N -4.56 0.00 -0.12 0.00 6.94 -1.26 -2.94 115.26 113.31 1xpu n ASN 292 Ca 0.17 0.49 0.10 0.00 -0.02 0.00 0.00 54.58 55.32 1xpu n ASN 292 Cb 0.35 -0.50 0.56 0.00 -2.36 0.00 0.00 39.78 37.84 1xpu n ASN 292 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1xpu n ALA 293 N -1.50 2.60 1.20 -2.53 0.00 -0.30 -3.31 120.51 116.68 1xpu n ALA 293 Ca 0.07 -0.21 0.13 0.00 0.00 0.00 0.00 53.44 53.42 1xpu n ALA 293 Cb 0.32 -1.28 0.27 0.00 0.00 0.00 0.00 19.45 18.76 1xpu n ALA 293 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1xpu n LEU 294 N -0.57 1.66 0.19 0.00 4.77 -1.15 -4.32 117.00 117.58 1xpu n LEU 294 Ca 0.16 -0.54 -0.14 0.00 -0.03 0.00 0.00 56.01 55.45 1xpu n LEU 294 Cb 0.13 -0.05 -0.08 0.00 -2.33 0.00 0.00 43.42 41.09 1xpu n LEU 294 CO 0.12 0.30 0.57 -0.74 -1.33 0.00 0.00 177.39 176.31 1xpu h HIS 295 N 2.26 -0.45 -0.84 -1.77 2.76 -1.79 -2.75 115.15 112.58 1xpu h HIS 295 Ca 0.00 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.15 1xpu h HIS 295 Cb 0.64 0.15 -0.04 0.00 1.55 0.00 0.00 27.41 29.71 1xpu h HIS 295 CO 0.00 -0.14 0.50 0.00 -1.30 0.00 0.00 177.93 177.00 1xpu h ARG 296 N -0.75 1.14 -0.44 5.26 2.47 -1.85 0.13 114.38 120.34 1xpu h ARG 296 Ca -0.05 -0.11 0.01 0.00 -1.26 0.00 0.00 59.98 58.58 1xpu h ARG 296 Cb 0.51 -0.24 -0.03 0.00 -1.65 0.00 0.00 29.97 28.56 1xpu h ARG 296 CO 0.08 0.81 0.27 -1.35 0.56 0.00 0.00 179.97 180.34 1xpu h PRO 297 N 1.15 0.54 -0.13 0.04 0.11 -1.81 -1.09 132.00 130.81 1xpu h PRO 297 Ca 0.30 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 66.32 1xpu h PRO 297 Cb -0.04 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 30.94 1xpu h PRO 297 CO -0.06 0.35 -0.17 0.87 -0.21 0.00 0.00 178.00 178.79 1xpu h LYS 298 N 0.55 0.21 0.44 1.05 1.57 -1.10 -0.84 116.57 118.45 1xpu h LYS 298 Ca 0.17 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1xpu h LYS 298 Cb -0.02 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1xpu h LYS 298 CO -0.06 0.38 -0.25 0.00 -0.57 0.00 0.00 179.45 178.95 1xpu h ARG 299 N 0.20 -0.62 0.05 3.15 2.47 -0.51 0.14 114.38 119.26 1xpu h ARG 299 Ca 0.04 0.04 0.03 0.00 -1.26 0.00 0.00 59.98 58.83 1xpu h ARG 299 Cb 0.42 0.14 -0.04 0.00 -1.65 0.00 0.00 29.97 28.83 1xpu h ARG 299 CO 0.03 -0.41 -0.31 0.35 0.56 0.00 0.00 179.97 180.18 1xpu h PHE 300 N -0.64 -0.86 -0.18 3.04 3.57 -0.68 -2.01 116.94 119.18 1xpu h PHE 300 Ca -0.05 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.39 1xpu h PHE 300 Cb 0.51 0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.61 1xpu h PHE 300 CO -0.07 -0.41 -0.23 0.35 -2.23 0.00 0.00 178.31 175.72 1xpu h PHE 301 N -0.50 0.35 0.00 0.41 -0.00 -1.21 -2.49 116.94 113.50 1xpu h PHE 301 Ca 0.05 -0.06 0.00 0.00 -0.00 0.00 0.00 57.97 57.96 1xpu h PHE 301 Cb 0.56 -0.09 0.00 0.00 -0.00 0.00 0.00 35.95 36.42 1xpu h PHE 301 CO -0.31 0.53 0.00 0.41 -0.00 0.00 0.00 178.31 178.94 1xpu n GLY 302 N -0.56 -1.07 0.24 2.40 0.00 0.50 -2.98 105.19 103.71 1xpu n GLY 302 Ca -0.01 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.05 1xpu n GLY 302 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xpu h ALA 303 N 2.77 1.02 -2.20 4.61 0.00 -0.90 -3.44 119.26 121.12 1xpu h ALA 303 Ca 0.00 -0.15 -0.55 0.00 0.00 0.00 0.00 54.91 54.20 1xpu h ALA 303 Cb 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1xpu h ALA 303 CO 0.00 0.21 1.23 0.00 0.00 0.00 0.00 179.25 180.69 1xpu s ALA 304 N -3.66 3.36 -0.17 0.00 0.00 -1.16 -4.82 121.76 115.31 1xpu s ALA 304 Ca 0.01 0.97 -0.28 0.00 0.00 0.00 0.00 51.96 52.66 1xpu s ALA 304 Cb 0.10 -3.87 0.09 0.00 0.00 0.00 0.00 23.12 19.44 1xpu s ALA 304 CO 0.62 -1.85 0.81 -0.98 0.00 0.00 0.00 175.76 174.36 1xpu s ARG 305 N 4.78 0.81 -0.22 0.00 1.70 0.23 -4.71 118.95 121.55 1xpu s ARG 305 Ca 0.84 0.51 -0.21 0.00 -0.47 0.00 0.00 55.73 56.40 1xpu s ARG 305 Cb -0.35 0.39 -0.02 0.00 -0.57 0.00 0.00 34.95 34.39 1xpu s ARG 305 CO 0.35 -0.19 0.65 1.21 -1.08 0.00 0.00 175.30 176.24 1xpu s ASN 306 N -0.47 6.67 0.14 -2.89 2.47 -1.25 -0.45 114.94 119.15 1xpu s ASN 306 Ca -0.04 0.82 -0.23 0.00 0.42 0.00 0.00 52.86 53.83 1xpu s ASN 306 Cb -0.02 -2.35 -0.08 0.00 -1.45 0.00 0.00 41.25 37.35 1xpu s ASN 306 CO 0.03 -0.32 0.70 -0.69 -3.72 0.00 0.00 177.10 173.10 1xpu s VAL 307 N 2.14 4.51 0.02 -5.21 1.01 -0.76 -3.38 120.40 118.73 1xpu s VAL 307 Ca 0.29 1.50 -0.22 0.00 0.00 0.00 0.00 61.98 63.55 1xpu s VAL 307 Cb -0.16 -4.04 -0.17 0.00 0.00 0.00 0.00 36.38 32.02 1xpu s VAL 307 CO 0.10 0.52 1.27 -0.08 0.00 0.00 0.00 175.10 176.90 1xpu h GLU 308 N 4.34 0.28 -0.97 2.72 4.81 -1.78 -3.29 114.58 120.69 1xpu h GLU 308 Ca -0.48 -0.18 -0.10 0.00 -0.13 0.00 0.00 59.36 58.47 1xpu h GLU 308 Cb 1.21 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 30.55 1xpu h GLU 308 CO 0.65 0.76 0.13 -0.85 -0.73 0.00 0.00 179.01 178.97 1xpu n GLU 309 N -4.57 1.56 0.00 1.92 0.00 -1.26 -4.90 120.64 113.39 1xpu n GLU 309 Ca -0.07 -0.85 0.00 0.00 0.00 0.00 0.00 57.16 56.24 1xpu n GLU 309 Cb 0.39 -1.44 0.00 0.00 0.00 0.00 0.00 31.44 30.39 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 0.08 2.86 1.10 -1.84 0.00 -1.24 -4.92 105.19 101.23 1xpu n GLY 310 Ca 0.14 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.77 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 1.37 -2.71 3.49 -0.02 0.00 -1.25 -4.45 105.19 101.62 1xpu n GLY 311 Ca 0.00 -1.69 -0.13 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.98 -0.52 -0.15 1.61 1.04 -1.25 -1.82 113.70 110.62 1xpu s SER 312 Ca 0.00 0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.68 1xpu s SER 312 Cb 0.00 0.50 0.02 0.00 0.10 0.00 0.00 66.02 66.64 1xpu s SER 312 CO 0.00 -0.71 -0.14 -0.22 0.98 0.00 0.00 173.24 173.15 1xpu s LEU 313 N -2.06 1.65 -0.10 2.42 2.96 0.40 -1.19 118.68 122.76 1xpu s LEU 313 Ca -0.02 -0.47 0.04 0.00 -0.22 0.00 0.00 54.13 53.45 1xpu s LEU 313 Cb -0.01 -1.16 0.00 0.00 0.50 0.00 0.00 46.19 45.53 1xpu s LEU 313 CO -0.04 -0.06 -0.22 0.42 -1.32 0.00 0.00 176.35 175.13 1xpu s THR 314 N 1.49 1.92 -0.25 3.68 -4.23 -0.61 0.78 115.64 118.42 1xpu s THR 314 Ca 0.05 -0.93 0.03 0.00 -1.18 0.00 0.00 61.69 59.65 1xpu s THR 314 Cb -0.13 -1.67 0.06 0.00 1.34 0.00 0.00 72.50 72.10 1xpu s THR 314 CO -0.10 0.53 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.76 1xpu s ILE 315 N 0.44 2.13 -0.58 2.99 1.01 0.82 -0.23 121.20 127.78 1xpu s ILE 315 Ca -0.17 -1.54 -0.13 0.00 0.00 0.00 0.00 60.65 58.82 1xpu s ILE 315 Cb -0.17 -2.21 0.15 0.00 0.01 0.00 0.00 42.46 40.23 1xpu s ILE 315 CO 0.07 0.04 0.50 -0.63 0.00 0.00 0.00 174.94 174.91 1xpu s ILE 316 N 1.14 4.86 0.04 2.92 -1.09 -0.12 -0.05 121.20 128.90 1xpu s ILE 316 Ca -0.07 -1.87 0.03 0.00 -2.23 0.00 0.00 60.65 56.51 1xpu s ILE 316 Cb -0.19 -4.12 -0.04 0.00 -1.58 0.00 0.00 42.46 36.53 1xpu s ILE 316 CO -0.06 -0.87 -0.00 0.00 -1.23 0.00 0.00 174.94 172.78 1xpu s ALA 317 N 1.15 3.28 0.09 9.38 0.00 -0.27 -1.83 121.76 133.55 1xpu s ALA 317 Ca 0.08 -1.04 -0.17 0.00 0.00 0.00 0.00 51.96 50.83 1xpu s ALA 317 Cb -0.24 -1.26 -0.07 0.00 0.00 0.00 0.00 23.12 21.55 1xpu s ALA 317 CO -0.01 0.67 0.54 0.95 0.00 0.00 0.00 175.76 177.92 1xpu s THR 318 N -1.19 4.81 -0.25 0.00 -4.23 -0.31 -1.05 115.64 113.42 1xpu s THR 318 Ca 0.23 1.05 0.01 0.00 -1.18 0.00 0.00 61.69 61.79 1xpu s THR 318 Cb -0.12 -3.82 0.05 0.00 1.34 0.00 0.00 72.50 69.95 1xpu s THR 318 CO 0.14 0.45 -0.10 0.00 -0.54 0.00 0.00 174.62 174.57 1xpu s ALA 319 N -1.23 2.58 0.14 3.99 0.00 0.60 -0.18 121.76 127.66 1xpu s ALA 319 Ca 0.31 -1.62 -0.30 0.00 0.00 0.00 0.00 51.96 50.35 1xpu s ALA 319 Cb -0.18 -1.58 -0.07 0.00 0.00 0.00 0.00 23.12 21.29 1xpu s ALA 319 CO 0.18 -1.00 1.18 -0.51 0.00 0.00 0.00 175.76 175.61 1xpu s LEU 320 N 1.19 4.43 0.26 0.00 1.43 -1.26 -2.20 118.68 122.52 1xpu s LEU 320 Ca -0.05 2.12 0.03 0.00 -1.03 0.00 0.00 54.13 55.20 1xpu s LEU 320 Cb -0.18 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.39 1xpu s LEU 320 CO -0.06 -0.37 0.03 -0.51 0.23 0.00 0.00 176.35 175.67 1xpu s ILE 321 N 0.32 0.95 -1.51 -0.59 2.07 -0.03 -4.76 121.20 117.64 1xpu s ILE 321 Ca 0.54 -2.02 -0.08 0.00 -1.41 0.00 0.00 60.65 57.68 1xpu s ILE 321 Cb -0.31 -2.50 0.06 0.00 0.13 0.00 0.00 42.46 39.85 1xpu s ILE 321 CO 0.33 -0.19 0.67 0.47 -1.91 0.00 0.00 174.94 174.32 1xpu n ASP 322 N -0.48 -2.16 -0.27 4.50 8.00 -1.26 -4.01 116.55 120.87 1xpu n ASP 322 Ca -0.03 -0.94 0.12 0.00 0.71 0.00 0.00 54.79 54.64 1xpu n ASP 322 Cb 0.65 -3.24 0.14 0.00 -0.02 0.00 0.00 41.12 38.65 1xpu n ASP 322 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1xpu n THR 323 N -4.44 0.00 -2.79 -3.53 -1.04 -1.26 -4.54 114.28 96.69 1xpu n THR 323 Ca -0.13 -0.14 -0.14 0.00 -2.04 0.00 0.00 64.05 61.61 1xpu n THR 323 Cb 0.60 0.80 0.03 0.00 -1.82 0.00 0.00 70.33 69.93 1xpu n THR 323 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xpu n GLY 324 N 1.42 -0.02 2.67 3.41 0.00 -1.26 -5.01 105.19 106.40 1xpu n GLY 324 Ca 0.09 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.89 2.25 0.39 1.61 0.15 -1.26 -5.03 113.70 108.92 1xpu s SER 325 Ca 0.21 -0.78 0.21 0.00 0.70 0.00 0.00 55.95 56.29 1xpu s SER 325 Cb -0.09 0.13 1.21 0.00 -1.71 0.00 0.00 66.02 65.56 1xpu s SER 325 CO 0.26 -0.39 1.67 0.11 1.20 0.00 0.00 173.24 176.10 1xpu h LYS 326 N 8.34 0.24 -0.68 5.44 1.79 -1.95 0.11 116.57 129.86 1xpu h LYS 326 Ca -0.16 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.29 1xpu h LYS 326 Cb 1.08 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.64 1xpu h LYS 326 CO 0.35 0.16 0.41 1.98 -1.08 0.00 0.00 179.45 181.27 1xpu h MET 327 N 0.25 0.93 -0.61 3.15 4.05 -1.97 0.89 114.93 121.62 1xpu h MET 327 Ca 0.74 -0.09 -0.01 0.00 -0.28 0.00 0.00 59.70 60.06 1xpu h MET 327 Cb 1.96 -0.19 -0.03 0.00 -0.80 0.00 0.00 31.60 32.53 1xpu h MET 327 CO -0.48 0.66 0.36 -0.44 0.23 0.00 0.00 176.91 177.24 1xpu h ASP 328 N 0.93 0.74 0.01 1.39 5.19 -1.15 -2.27 116.42 121.25 1xpu h ASP 328 Ca 0.24 -0.04 -0.19 0.00 -0.62 0.00 0.00 57.03 56.43 1xpu h ASP 328 Cb -0.02 -0.19 -0.00 0.00 0.18 0.00 0.00 39.33 39.30 1xpu h ASP 328 CO -0.05 0.58 -0.66 -0.33 -3.12 0.00 0.00 179.24 175.67 1xpu h GLU 329 N 0.85 0.62 -0.28 3.56 4.39 -1.00 -2.96 114.58 119.75 1xpu h GLU 329 Ca 0.22 -0.45 -0.14 0.00 0.34 0.00 0.00 59.36 59.34 1xpu h GLU 329 Cb -0.01 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1xpu h GLU 329 CO -0.04 1.07 -0.35 0.28 -1.16 0.00 0.00 179.01 178.80 1xpu h VAL 330 N 0.45 1.30 -0.99 3.13 2.07 -0.70 -2.37 116.25 119.13 1xpu h VAL 330 Ca -0.02 -1.54 0.11 0.00 0.82 0.00 0.00 66.70 66.07 1xpu h VAL 330 Cb 1.24 1.62 -0.08 0.00 -1.52 0.00 0.00 31.29 32.55 1xpu h VAL 330 CO 0.13 0.49 0.62 0.40 0.02 0.00 0.00 177.57 179.23 1xpu h ILE 331 N 0.49 0.95 -0.41 4.57 2.04 -1.47 -2.28 117.51 121.40 1xpu h ILE 331 Ca 0.04 -0.35 -0.13 0.00 1.00 0.00 0.00 64.86 65.41 1xpu h ILE 331 Cb 0.94 -0.15 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1xpu h ILE 331 CO 0.08 0.19 -0.27 0.22 0.00 0.00 0.00 178.15 178.37 1xpu h TYR 332 N 1.02 1.02 -0.56 1.37 3.20 -1.37 -3.09 116.97 118.55 1xpu h TYR 332 Ca 0.48 -0.26 -0.02 0.00 3.14 0.00 0.00 58.73 62.07 1xpu h TYR 332 Cb 0.41 -0.23 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 1xpu h TYR 332 CO -0.01 1.04 0.28 0.93 -1.64 0.00 0.00 178.16 178.76 1xpu h GLU 333 N 0.75 0.78 0.00 1.82 4.39 -0.88 -2.11 114.58 119.33 1xpu h GLU 333 Ca 0.09 -0.09 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1xpu h GLU 333 Cb 0.82 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1xpu h GLU 333 CO 0.07 0.60 0.00 0.39 -1.16 0.00 0.00 179.01 178.91 1xpu n GLU 334 N -4.37 0.05 -0.45 2.33 -0.58 -1.00 -3.05 120.64 113.56 1xpu n GLU 334 Ca 0.05 0.10 0.08 0.00 -0.42 0.00 0.00 57.16 56.97 1xpu n GLU 334 Cb 0.12 -1.57 0.27 0.00 -0.57 0.00 0.00 31.44 29.69 1xpu n GLU 334 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 1xpu n PHE 335 N -1.66 1.04 -2.20 -0.32 3.01 -0.80 -4.90 117.46 111.63 1xpu n PHE 335 Ca 0.06 -0.71 -0.43 0.00 1.01 0.00 0.00 57.45 57.39 1xpu n PHE 335 Cb 0.32 -0.24 -0.02 0.00 -0.01 0.00 0.00 39.48 39.52 1xpu n PHE 335 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1xpu s LYS 336 N -2.12 4.19 0.00 -1.08 1.02 -1.17 -3.40 119.74 117.17 1xpu s LYS 336 Ca 0.40 1.93 0.00 0.00 0.02 0.00 0.00 55.97 58.32 1xpu s LYS 336 Cb 0.29 -3.89 0.00 0.00 -0.52 0.00 0.00 37.83 33.71 1xpu s LYS 336 CO 0.15 -0.80 0.00 0.41 -0.92 0.00 0.00 175.35 174.19 1xpu n GLY 337 N 3.91 0.57 0.15 -3.33 0.00 -1.26 -4.84 105.19 100.40 1xpu n GLY 337 Ca 0.16 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.12 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 1.42 -3.83 2.61 1.35 -1.90 -3.44 112.91 109.12 1xpu h THR 338 Ca 0.00 -2.17 -0.48 0.00 -0.55 0.00 0.00 66.41 63.21 1xpu h THR 338 Cb 0.11 2.14 -0.02 0.00 -1.73 0.00 0.00 68.15 68.65 1xpu h THR 338 CO 0.00 0.64 0.21 -0.83 -0.25 0.00 0.00 175.52 175.29 1xpu s GLY 339 N -4.39 2.46 0.00 5.82 0.00 -1.26 -4.98 107.32 104.96 1xpu s GLY 339 Ca -0.03 0.24 0.23 0.00 0.00 0.00 0.00 44.72 45.16 1xpu s GLY 339 CO 0.80 0.52 1.51 1.16 0.00 0.00 0.00 173.10 177.10 1xpu n ASN 340 N -0.16 3.84 -3.66 1.64 0.23 -0.40 -4.85 115.26 111.90 1xpu n ASN 340 Ca 0.03 -2.00 -0.10 0.00 -0.53 0.00 0.00 54.58 51.98 1xpu n ASN 340 Cb 0.53 -0.43 -0.08 0.00 -2.08 0.00 0.00 39.78 37.72 1xpu n ASN 340 CO 0.00 0.00 0.00 -0.32 -0.93 0.00 0.00 177.26 176.01 1xpu s MET 341 N -1.14 0.65 -0.01 -3.83 0.00 -1.10 -1.77 119.30 112.10 1xpu s MET 341 Ca 0.47 1.00 0.02 0.00 0.00 0.00 0.00 55.69 57.17 1xpu s MET 341 Cb 0.25 0.19 -0.00 0.00 0.00 0.00 0.00 34.83 35.27 1xpu s MET 341 CO 0.33 -0.13 -0.07 -1.83 0.00 0.00 0.00 175.02 173.32 1xpu s GLU 342 N 1.08 0.65 -0.15 4.11 -1.05 -0.91 -0.50 118.70 121.93 1xpu s GLU 342 Ca -0.06 -0.25 0.00 0.00 -0.15 0.00 0.00 54.97 54.51 1xpu s GLU 342 Cb -0.05 -0.63 0.03 0.00 -0.44 0.00 0.00 34.13 33.04 1xpu s GLU 342 CO -0.10 0.13 -0.10 -1.17 0.95 0.00 0.00 175.26 174.97 1xpu s LEU 343 N -0.04 1.61 0.02 1.83 2.96 -0.58 -1.86 118.68 122.63 1xpu s LEU 343 Ca 0.01 -0.52 -0.10 0.00 -0.22 0.00 0.00 54.13 53.30 1xpu s LEU 343 Cb -0.04 -1.04 -0.05 0.00 0.50 0.00 0.00 46.19 45.55 1xpu s LEU 343 CO -0.00 -0.11 0.34 -1.00 -1.32 0.00 0.00 176.35 174.26 1xpu s HIS 344 N 1.56 3.63 -0.23 5.38 3.76 -1.26 -0.35 115.29 127.78 1xpu s HIS 344 Ca 0.03 0.77 0.00 0.00 -0.15 0.00 0.00 55.06 55.72 1xpu s HIS 344 Cb -0.14 -2.14 0.03 0.00 1.11 0.00 0.00 32.58 31.45 1xpu s HIS 344 CO -0.09 0.60 -0.12 -0.51 -0.85 0.00 0.00 174.74 173.77 1xpu s LEU 345 N -1.53 2.88 0.12 0.89 1.43 -0.11 -2.64 118.68 119.71 1xpu s LEU 345 Ca 0.27 -0.88 -0.24 0.00 -1.03 0.00 0.00 54.13 52.25 1xpu s LEU 345 Cb -0.14 -1.58 -0.07 0.00 0.03 0.00 0.00 46.19 44.42 1xpu s LEU 345 CO 0.15 -0.09 0.73 -0.55 0.23 0.00 0.00 176.35 176.81 1xpu s SER 346 N 1.28 7.28 0.20 2.29 0.15 -1.14 -4.24 113.70 119.52 1xpu s SER 346 Ca 0.00 1.52 -0.10 0.00 0.70 0.00 0.00 55.95 58.07 1xpu s SER 346 Cb -0.16 -2.46 0.14 0.00 -1.71 0.00 0.00 66.02 61.83 1xpu s SER 346 CO -0.07 0.18 1.84 -0.09 1.20 0.00 0.00 173.24 176.30 1xpu h ARG 347 N 4.69 1.00 -0.55 5.44 2.43 -1.93 -2.96 114.38 122.49 1xpu h ARG 347 Ca -0.47 -0.09 -0.10 0.00 -0.81 0.00 0.00 59.98 58.51 1xpu h ARG 347 Cb 1.21 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 30.53 1xpu h ARG 347 CO 0.67 0.71 -0.06 0.87 -1.51 0.00 0.00 179.97 180.65 1xpu h LYS 348 N 1.00 1.01 -0.36 0.20 1.57 -1.96 -2.49 116.57 115.54 1xpu h LYS 348 Ca 0.26 -0.35 -0.08 0.00 -1.87 0.00 0.00 60.65 58.61 1xpu h LYS 348 Cb -0.03 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 1xpu h LYS 348 CO -0.05 1.03 -0.11 0.82 -0.57 0.00 0.00 179.45 180.58 1xpu h ILE 349 N 0.89 1.24 0.00 1.86 1.08 -1.85 -1.93 117.51 118.81 1xpu h ILE 349 Ca 0.15 -1.08 -0.09 0.00 -0.39 0.00 0.00 64.86 63.45 1xpu h ILE 349 Cb 0.62 1.09 -0.01 0.00 -3.07 0.00 0.00 36.82 35.44 1xpu h ILE 349 CO 0.04 0.36 -0.43 0.00 -0.69 0.00 0.00 178.15 177.43 1xpu h ALA 350 N 1.31 1.16 -0.08 1.87 0.00 -1.41 -2.64 119.26 119.47 1xpu h ALA 350 Ca 0.10 -0.39 -0.15 0.00 0.00 0.00 0.00 54.91 54.47 1xpu h ALA 350 Cb 0.53 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1xpu h ALA 350 CO 0.03 0.54 -0.52 0.93 0.00 0.00 0.00 179.25 180.24 1xpu h GLU 351 N 0.00 0.50 0.00 0.00 5.08 -0.90 -2.90 114.58 116.35 1xpu h GLU 351 Ca -0.00 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1xpu h GLU 351 Cb 0.82 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1xpu h GLU 351 CO 0.06 1.06 0.00 1.17 -1.00 0.00 0.00 179.01 180.29 1xpu n LYS 352 N -4.23 0.17 -3.45 2.33 3.00 -0.85 -4.79 118.16 110.33 1xpu n LYS 352 Ca -0.08 0.05 -0.19 0.00 -0.00 0.00 0.00 58.31 58.09 1xpu n LYS 352 Cb 0.61 -1.50 0.07 0.00 0.00 0.00 0.00 35.03 34.21 1xpu n LYS 352 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1xpu n ARG 353 N -1.07 -4.34 -5.12 1.64 1.74 -1.10 -5.01 116.66 103.40 1xpu n ARG 353 Ca 0.04 0.77 -0.30 0.00 -0.77 0.00 0.00 57.85 57.60 1xpu n ARG 353 Cb 0.03 -5.55 -0.16 0.00 -1.02 0.00 0.00 32.46 25.75 1xpu n ARG 353 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1xpu s VAL 354 N -3.45 1.85 0.01 1.55 1.01 -1.00 -5.07 120.40 115.31 1xpu s VAL 354 Ca 0.19 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1xpu s VAL 354 Cb -0.04 -1.57 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 1xpu s VAL 354 CO 0.76 0.52 -0.08 -0.36 0.00 0.00 0.00 175.10 175.94 1xpu s PHE 355 N -0.06 0.68 0.99 5.22 0.08 -1.26 -4.20 117.98 119.42 1xpu s PHE 355 Ca -0.05 -0.22 -0.17 0.00 0.12 0.00 0.00 56.93 56.61 1xpu s PHE 355 Cb -0.13 -0.42 0.24 0.00 -0.57 0.00 0.00 43.02 42.14 1xpu s PHE 355 CO 0.04 -0.02 0.96 -0.35 -0.10 0.00 0.00 175.22 175.74 1xpu n PRO 356 N 2.50 -2.46 0.00 0.24 -0.04 -1.26 -4.96 135.00 129.02 1xpu n PRO 356 Ca -0.16 -1.52 0.09 0.00 -0.04 0.00 0.00 63.50 61.87 1xpu n PRO 356 Cb 0.57 -1.33 0.05 0.00 -0.04 0.00 0.00 33.50 32.75 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 -4.40 2.77 -1.70 0.55 0.00 -1.26 -4.92 120.51 111.55 1xpu n ALA 357 Ca -0.17 -0.62 -0.63 0.00 0.00 0.00 0.00 53.44 52.02 1xpu n ALA 357 Cb 0.49 -0.63 -0.09 0.00 0.00 0.00 0.00 19.45 19.22 1xpu n ALA 357 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1xpu n ILE 358 N 0.63 0.12 -2.25 0.00 5.41 -1.26 -2.87 119.36 119.15 1xpu n ILE 358 Ca 0.10 -0.03 -0.38 0.00 1.00 0.00 0.00 62.75 63.44 1xpu n ILE 358 Cb 0.43 -0.80 -0.03 0.00 -0.71 0.00 0.00 39.64 38.53 1xpu n ILE 358 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1xpu s ASP 359 N 3.50 5.65 0.29 4.38 -1.08 -1.08 -4.76 116.67 123.57 1xpu s ASP 359 Ca 1.04 -0.19 -0.02 0.00 -0.52 0.00 0.00 52.55 52.86 1xpu s ASP 359 Cb -1.32 -2.55 0.43 0.00 -1.46 0.00 0.00 42.92 38.02 1xpu s ASP 359 CO 0.74 -2.17 1.91 0.22 0.52 0.00 0.00 175.17 176.39 1xpu h TYR 360 N 12.49 0.97 -0.88 -5.34 3.20 -1.90 -1.27 116.97 124.24 1xpu h TYR 360 Ca -0.19 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.68 1xpu h TYR 360 Cb 1.09 -0.31 -0.05 0.00 1.54 0.00 0.00 36.73 39.01 1xpu h TYR 360 CO 1.11 0.68 0.58 -0.91 -1.64 0.00 0.00 178.16 177.98 1xpu h ASN 361 N 1.00 0.99 0.27 -2.11 2.35 -1.92 -3.20 115.58 112.95 1xpu h ASN 361 Ca 0.25 -0.02 -0.33 0.00 -0.55 0.00 0.00 56.30 55.65 1xpu h ASN 361 Cb 0.04 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.12 1xpu h ASN 361 CO -0.04 0.70 -1.96 0.54 -1.65 0.00 0.00 177.43 175.02 1xpu n ARG 362 N -4.41 0.68 -2.03 0.81 1.74 -1.06 -4.91 116.66 107.48 1xpu n ARG 362 Ca 0.11 0.23 -0.39 0.00 -0.77 0.00 0.00 57.85 57.03 1xpu n ARG 362 Cb 0.05 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 29.79 1xpu n ARG 362 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1xpu s SER 363 N -6.34 6.06 0.00 0.55 0.01 -0.51 -4.89 113.70 108.59 1xpu s SER 363 Ca -0.13 2.62 0.00 0.00 1.31 0.00 0.00 55.95 59.74 1xpu s SER 363 Cb 0.07 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.67 1xpu s SER 363 CO 0.79 -1.02 0.00 0.61 0.41 0.00 0.00 173.24 174.03 1xpu n GLY 364 N 0.63 1.83 3.23 3.44 0.00 -0.77 -4.80 105.19 108.75 1xpu n GLY 364 Ca 0.06 -0.90 -0.17 0.00 0.00 0.00 0.00 46.02 45.01 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 1.25 0.34 2.61 -1.32 -1.26 -2.15 115.64 113.11 1xpu s THR 365 Ca 0.00 -1.74 -0.16 0.00 -1.21 0.00 0.00 61.69 58.58 1xpu s THR 365 Cb 0.00 -1.53 -0.09 0.00 -1.51 0.00 0.00 72.50 69.36 1xpu s THR 365 CO 0.00 -0.47 0.77 -0.13 -2.21 0.00 0.00 174.62 172.58 1xpu s ARG 366 N -2.80 4.04 -1.55 7.08 0.52 -0.73 -3.92 118.95 121.60 1xpu s ARG 366 Ca 0.09 0.75 -0.14 0.00 -0.52 0.00 0.00 55.73 55.91 1xpu s ARG 366 Cb -0.04 -2.39 0.10 0.00 0.52 0.00 0.00 34.95 33.14 1xpu s ARG 366 CO 0.02 0.13 0.86 1.63 0.02 0.00 0.00 175.30 177.96 1xpu n LYS 367 N -0.40 -4.64 0.19 3.54 4.76 -1.26 -4.82 118.16 115.52 1xpu n LYS 367 Ca 0.04 0.53 0.17 0.00 -2.87 0.00 0.00 58.31 56.19 1xpu n LYS 367 Cb 0.53 -5.37 0.68 0.00 -1.84 0.00 0.00 35.03 29.04 1xpu n LYS 367 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1xpu h GLU 368 N -1.77 0.00 0.00 1.97 4.81 -1.98 -2.05 114.58 115.56 1xpu h GLU 368 Ca -0.56 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.67 1xpu h GLU 368 Cb 1.37 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.75 1xpu h GLU 368 CO 0.68 0.00 0.00 -0.85 -0.73 0.00 0.00 179.01 178.11 1xpu n GLU 369 N -3.23 0.38 -0.01 1.92 0.00 -1.26 -2.46 120.64 115.98 1xpu n GLU 369 Ca 0.04 0.04 0.08 0.00 0.00 0.00 0.00 57.16 57.32 1xpu n GLU 369 Cb 0.64 -1.50 -0.12 0.00 0.00 0.00 0.00 31.44 30.45 1xpu n GLU 369 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1xpu n LEU 370 N -1.28 0.07 0.12 -1.84 4.77 -0.77 -4.37 117.00 113.71 1xpu n LEU 370 Ca 0.12 -0.05 0.12 0.00 -0.03 0.00 0.00 56.01 56.18 1xpu n LEU 370 Cb 0.21 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.51 1xpu n LEU 370 CO 0.20 0.02 0.59 -0.07 -1.33 0.00 0.00 177.39 176.80 1xpu h LEU 371 N 0.00 0.00 -8.76 2.23 3.38 -1.21 -3.40 115.31 107.55 1xpu h LEU 371 Ca 0.00 -0.06 -0.48 0.00 0.09 0.00 0.00 57.88 57.43 1xpu h LEU 371 Cb 0.70 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.27 1xpu h LEU 371 CO 0.00 0.03 -0.77 0.42 0.09 0.00 0.00 178.44 178.21 1xpu s THR 372 N -3.19 1.65 0.50 0.22 -4.23 -1.03 -4.56 115.64 105.01 1xpu s THR 372 Ca 0.07 -1.89 -0.12 0.00 -1.18 0.00 0.00 61.69 58.57 1xpu s THR 372 Cb 0.10 -1.77 -0.06 0.00 1.34 0.00 0.00 72.50 72.11 1xpu s THR 372 CO 0.68 -0.38 0.91 0.42 -0.54 0.00 0.00 174.62 175.71 1xpu s THR 373 N -2.19 4.69 0.58 3.99 -4.23 -1.26 -4.77 115.64 112.45 1xpu s THR 373 Ca 0.14 0.84 0.28 0.00 -1.18 0.00 0.00 61.69 61.77 1xpu s THR 373 Cb -0.05 -3.78 0.36 0.00 1.34 0.00 0.00 72.50 70.38 1xpu s THR 373 CO 0.05 -0.77 2.06 1.56 -0.54 0.00 0.00 174.62 176.99 1xpu h GLN 374 N 0.65 0.00 0.08 3.99 4.20 -1.98 0.48 115.11 122.52 1xpu h GLN 374 Ca -0.46 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.24 1xpu h GLN 374 Cb 1.19 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.97 1xpu h GLN 374 CO 0.62 0.00 -0.04 0.93 -0.67 0.00 0.00 178.83 179.67 1xpu h GLU 375 N 0.00 -0.10 -0.12 1.46 3.07 -1.99 -2.98 114.58 113.92 1xpu h GLU 375 Ca 0.12 0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.96 1xpu h GLU 375 Cb 0.63 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.56 1xpu h GLU 375 CO -0.00 0.41 -0.02 1.49 -1.40 0.00 0.00 179.01 179.49 1xpu h GLU 376 N -0.70 0.22 -0.33 2.33 4.81 -1.42 -0.68 114.58 118.81 1xpu h GLU 376 Ca -0.01 -0.08 0.04 0.00 -0.13 0.00 0.00 59.36 59.18 1xpu h GLU 376 Cb 0.56 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.88 1xpu h GLU 376 CO 0.02 0.50 0.09 1.25 -0.73 0.00 0.00 179.01 180.14 1xpu h LEU 377 N -0.08 0.07 -1.09 1.64 5.85 -0.30 0.17 115.31 121.58 1xpu h LEU 377 Ca 0.03 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 1xpu h LEU 377 Cb 0.41 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 1xpu h LEU 377 CO 0.01 0.08 -0.09 -0.61 -0.34 0.00 0.00 178.44 177.48 1xpu h GLN 378 N 0.22 0.54 0.47 1.25 5.75 -1.52 -1.16 115.11 120.66 1xpu h GLN 378 Ca 0.15 -0.15 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 1xpu h GLN 378 Cb 0.15 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 28.64 1xpu h GLN 378 CO -0.18 0.63 -0.23 -0.22 -2.65 0.00 0.00 178.83 176.19 1xpu h LYS 379 N 0.50 -0.61 0.00 1.69 3.11 -0.27 -3.10 116.57 117.89 1xpu h LYS 379 Ca 0.10 0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 57.97 1xpu h LYS 379 Cb 0.47 0.14 -0.00 0.00 -1.00 0.00 0.00 32.23 31.83 1xpu h LYS 379 CO 0.03 -0.33 -0.03 0.00 -2.81 0.00 0.00 179.45 176.30 1xpu h MET 380 N -0.83 0.00 -0.65 1.90 -0.00 -0.63 -2.51 114.93 112.21 1xpu h MET 380 Ca -0.07 0.00 -0.08 0.00 -0.00 0.00 0.00 59.70 59.55 1xpu h MET 380 Cb 0.57 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 32.14 1xpu h MET 380 CO 0.11 0.03 0.07 2.35 -0.00 0.00 0.00 176.91 179.48 1xpu h TRP 381 N 0.00 1.18 -0.49 -0.10 2.91 -1.20 -0.32 115.95 117.92 1xpu h TRP 381 Ca -0.00 -0.18 -0.10 0.00 1.13 0.00 0.00 58.89 59.74 1xpu h TRP 381 Cb 0.53 -0.32 -0.02 0.00 -0.51 0.00 0.00 29.16 28.84 1xpu h TRP 381 CO 0.00 1.00 -0.10 0.82 -1.03 0.00 0.00 178.44 179.13 1xpu h ILE 382 N 1.02 1.26 0.00 2.65 1.08 -1.38 -2.34 117.51 119.80 1xpu h ILE 382 Ca 0.19 -1.20 -0.04 0.00 -0.39 0.00 0.00 64.86 63.42 1xpu h ILE 382 Cb 0.48 0.99 -0.01 0.00 -3.07 0.00 0.00 36.82 35.21 1xpu h ILE 382 CO 0.02 0.42 -0.20 0.25 -0.69 0.00 0.00 178.15 177.94 1xpu h LEU 383 N 0.80 0.00 -0.04 1.44 7.12 -1.30 -2.80 115.31 120.54 1xpu h LEU 383 Ca 0.13 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.13 1xpu h LEU 383 Cb 0.61 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 40.74 1xpu h LEU 383 CO 0.04 0.20 -0.03 -0.09 -0.13 0.00 0.00 178.44 178.43 1xpu h ARG 384 N 0.00 0.09 0.00 1.25 9.65 -0.58 -3.17 114.38 121.62 1xpu h ARG 384 Ca -0.00 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 1xpu h ARG 384 Cb 0.38 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.96 1xpu h ARG 384 CO 0.03 0.54 0.00 1.63 2.80 0.00 0.00 179.97 184.97 1xpu n LYS 385 N -4.79 0.08 0.08 0.20 5.02 -0.93 -2.29 118.16 115.54 1xpu n LYS 385 Ca -0.08 0.37 0.11 0.00 -2.02 0.00 0.00 58.31 56.69 1xpu n LYS 385 Cb 0.27 -1.67 -0.02 0.00 -0.02 0.00 0.00 35.03 33.59 1xpu n LYS 385 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 1xpu n ILE 386 N -1.83 0.50 0.58 -0.18 0.13 -1.07 -4.10 119.36 113.39 1xpu n ILE 386 Ca 0.02 -0.53 0.06 0.00 -1.10 0.00 0.00 62.75 61.21 1xpu n ILE 386 Cb 0.17 -0.26 -0.07 0.00 -0.84 0.00 0.00 39.64 38.64 1xpu n ILE 386 CO 0.00 0.00 0.00 -0.38 2.80 0.00 0.00 176.55 178.97 1xpu n ILE 387 N -2.57 0.00 -0.21 9.51 5.41 -1.10 -4.75 119.36 125.65 1xpu n ILE 387 Ca -0.01 -0.21 -0.05 0.00 1.00 0.00 0.00 62.75 63.48 1xpu n ILE 387 Cb 0.55 1.00 0.01 0.00 -0.71 0.00 0.00 39.64 40.48 1xpu n ILE 387 CO 0.00 0.00 0.00 -0.74 0.00 0.00 0.00 176.55 175.81 1xpu h HIS 388 N 0.00 -0.93 0.00 1.39 2.76 -1.61 -1.88 115.15 114.89 1xpu h HIS 388 Ca 0.00 0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 1xpu h HIS 388 Cb 0.29 0.50 0.00 0.00 1.55 0.00 0.00 27.41 29.75 1xpu h HIS 388 CO 0.00 -0.38 0.00 -2.30 -1.30 0.00 0.00 177.93 173.95 1xpu n PRO 389 N -5.43 0.04 -1.93 5.26 -0.02 -1.26 -4.89 135.00 126.77 1xpu n PRO 389 Ca 0.04 0.05 -0.33 0.00 -2.02 0.00 0.00 63.50 61.24 1xpu n PRO 389 Cb 0.36 -1.55 0.03 0.00 -0.02 0.00 0.00 33.50 32.32 1xpu n PRO 389 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 1xpu s MET 390 N -3.02 3.04 0.95 -0.52 -1.94 -0.71 -5.04 119.30 112.07 1xpu s MET 390 Ca 0.13 1.39 -0.12 0.00 -1.71 0.00 0.00 55.69 55.38 1xpu s MET 390 Cb 0.17 -1.98 0.16 0.00 2.01 0.00 0.00 34.83 35.19 1xpu s MET 390 CO 0.53 -1.06 1.09 0.20 -0.01 0.00 0.00 175.02 175.77 1xpu s GLY 391 N -2.47 1.59 0.09 -0.03 0.00 -1.26 -4.78 107.32 100.46 1xpu s GLY 391 Ca 0.67 -0.22 -0.32 0.00 0.00 0.00 0.00 44.72 44.85 1xpu s GLY 391 CO 0.37 0.34 1.60 0.83 0.00 0.00 0.00 173.10 176.24 1xpu h GLU 392 N -1.74 -0.77 -0.21 2.90 5.08 -1.97 0.14 114.58 118.01 1xpu h GLU 392 Ca -0.52 0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 57.77 1xpu h GLU 392 Cb 1.31 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 1xpu h GLU 392 CO 0.56 -0.51 -0.39 -0.84 -1.00 0.00 0.00 179.01 176.83 1xpu h ILE 393 N -0.80 1.30 0.00 3.13 -0.00 -1.95 -2.71 117.51 116.48 1xpu h ILE 393 Ca -0.03 -1.53 -0.03 0.00 -0.00 0.00 0.00 64.86 63.27 1xpu h ILE 393 Cb 0.71 1.56 -0.00 0.00 -0.00 0.00 0.00 36.82 39.09 1xpu h ILE 393 CO -0.06 0.48 -0.15 0.44 -0.00 0.00 0.00 178.15 178.86 1xpu h ASP 394 N 0.40 0.00 0.22 2.16 3.32 -1.88 -3.19 116.42 117.45 1xpu h ASP 394 Ca 0.04 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1xpu h ASP 394 Cb 0.86 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.41 1xpu h ASP 394 CO 0.07 0.15 -0.11 0.00 -1.72 0.00 0.00 179.24 177.63 1xpu h ALA 395 N 1.85 -0.30 -0.42 3.45 0.00 -0.37 -3.05 119.26 120.42 1xpu h ALA 395 Ca -0.00 -0.21 -0.14 0.00 0.00 0.00 0.00 54.91 54.56 1xpu h ALA 395 Cb 0.40 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1xpu h ALA 395 CO 0.02 -0.39 -0.28 0.52 0.00 0.00 0.00 179.25 179.11 1xpu h MET 396 N -0.84 0.92 -0.94 0.00 2.86 -1.61 -2.67 114.93 112.64 1xpu h MET 396 Ca -0.03 -0.42 0.03 0.00 -2.06 0.00 0.00 59.70 57.22 1xpu h MET 396 Cb 0.51 -0.02 -0.05 0.00 0.06 0.00 0.00 31.60 32.10 1xpu h MET 396 CO 0.05 1.08 0.62 0.93 1.06 0.00 0.00 176.91 180.65 1xpu h GLU 397 N 0.78 1.16 0.00 1.72 5.08 -1.69 1.17 114.58 122.79 1xpu h GLU 397 Ca 0.09 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 1xpu h GLU 397 Cb 0.85 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 29.84 1xpu h GLU 397 CO 0.08 0.77 -0.13 0.35 -1.00 0.00 0.00 179.01 179.07 1xpu h PHE 398 N 1.19 0.00 0.00 4.33 3.57 -1.38 -2.31 116.94 122.35 1xpu h PHE 398 Ca 0.37 0.00 -0.23 0.00 3.53 0.00 0.00 57.97 61.64 1xpu h PHE 398 Cb 0.00 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 1xpu h PHE 398 CO -0.00 0.13 -2.01 -0.11 -2.23 0.00 0.00 178.31 174.10 1xpu n LEU 399 N -4.25 0.29 -0.00 0.59 -0.00 -0.33 -4.08 117.00 109.22 1xpu n LEU 399 Ca -0.03 0.13 -0.13 0.00 -0.00 0.00 0.00 56.01 55.98 1xpu n LEU 399 Cb 0.21 0.26 -0.10 0.00 -0.00 0.00 0.00 43.42 43.79 1xpu n LEU 399 CO 0.35 0.29 0.62 0.40 -0.00 0.00 0.00 177.39 179.05 1xpu h ILE 400 N 0.00 1.33 0.00 1.96 1.08 0.15 -2.85 117.51 119.18 1xpu h ILE 400 Ca -0.31 -1.11 -0.05 0.00 -0.39 0.00 0.00 64.86 63.00 1xpu h ILE 400 Cb 1.80 2.07 -0.01 0.00 -3.07 0.00 0.00 36.82 37.61 1xpu h ILE 400 CO 0.03 0.28 -0.25 0.78 -0.69 0.00 0.00 178.15 178.30 1xpu h ASN 401 N -0.51 0.00 0.15 1.72 4.21 -1.62 -2.40 115.58 117.12 1xpu h ASN 401 Ca -0.00 0.00 -0.36 0.00 1.21 0.00 0.00 56.30 57.15 1xpu h ASN 401 Cb 0.48 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.68 1xpu h ASN 401 CO 0.00 0.25 -1.92 0.11 -1.29 0.00 0.00 177.43 174.58 1xpu h LYS 402 N 0.00 0.31 -0.24 0.81 1.57 -1.71 -3.35 116.57 113.96 1xpu h LYS 402 Ca -0.00 -0.53 -0.12 0.00 -1.87 0.00 0.00 60.65 58.13 1xpu h LYS 402 Cb 0.46 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 1xpu h LYS 402 CO 0.03 1.25 -0.35 -0.07 -0.57 0.00 0.00 179.45 179.75 1xpu h LEU 403 N 0.08 0.54 -3.81 2.94 3.38 -1.54 -3.30 115.31 113.60 1xpu h LEU 403 Ca -0.40 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.28 1xpu h LEU 403 Cb 2.06 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 42.63 1xpu h LEU 403 CO 0.12 0.84 -0.07 0.00 0.09 0.00 0.00 178.44 179.42 1xpu n ALA 404 N -2.49 4.09 0.00 1.53 0.00 -0.91 -1.92 120.51 120.81 1xpu n ALA 404 Ca -0.01 -0.68 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1xpu n ALA 404 Cb 0.47 -1.82 0.00 0.00 0.00 0.00 0.00 19.45 18.10 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 2.17 0.65 0.00 0.00 2.81 -1.24 -5.01 117.12 116.49 1xpu n MET 405 Ca 0.16 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 1xpu n MET 405 Cb 0.51 -0.31 0.00 0.00 -0.71 0.00 0.00 33.22 32.72 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 -0.41 0.00 -4.50 2.03 -2.24 -0.81 -5.17 114.28 103.17 1xpu n THR 406 Ca 0.00 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.54 1xpu n THR 406 Cb 0.00 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 68.12 1xpu n THR 406 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1xpu s LYS 407 N 1.10 1.72 0.21 -0.78 1.02 -1.26 -5.03 119.74 116.73 1xpu s LYS 407 Ca 0.00 -1.91 -0.09 0.00 0.02 0.00 0.00 55.97 54.00 1xpu s LYS 407 Cb 0.00 -1.39 0.31 0.00 -0.52 0.00 0.00 37.83 36.23 1xpu s LYS 407 CO 0.00 0.04 1.73 1.79 -0.92 0.00 0.00 175.35 177.99 1xpu h THR 408 N 2.09 0.71 0.00 2.17 1.35 -1.98 -1.28 112.91 115.97 1xpu h THR 408 Ca -0.41 -0.13 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 1xpu h THR 408 Cb 1.24 0.31 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 1xpu h THR 408 CO 0.71 0.07 0.00 0.59 -0.25 0.00 0.00 175.52 176.63 1xpu n ASN 409 N -5.04 0.00 -0.11 5.36 3.02 -1.26 -2.49 115.26 114.74 1xpu n ASN 409 Ca 0.10 -0.33 0.09 0.00 -0.03 0.00 0.00 54.58 54.40 1xpu n ASN 409 Cb 0.31 -0.20 0.13 0.00 -0.61 0.00 0.00 39.78 39.41 1xpu n ASN 409 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1xpu n ASP 410 N -1.20 2.39 0.21 6.41 8.00 -0.53 -4.86 116.55 126.97 1xpu n ASP 410 Ca 0.15 -2.93 -0.09 0.00 0.71 0.00 0.00 54.79 52.63 1xpu n ASP 410 Cb 0.18 -0.38 -0.04 0.00 -0.02 0.00 0.00 41.12 40.86 1xpu n ASP 410 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 1xpu h ASP 411 N 0.11 -0.51 1.27 -2.24 3.58 -1.11 -3.39 116.42 114.12 1xpu h ASP 411 Ca 0.00 0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.41 1xpu h ASP 411 Cb 0.95 0.13 -0.01 0.00 1.72 0.00 0.00 39.33 42.13 1xpu h ASP 411 CO 0.01 -0.12 -0.76 0.15 -2.88 0.00 0.00 179.24 175.64 1xpu h PHE 412 N -1.11 0.00 -0.81 0.28 3.57 -1.89 -3.36 116.94 113.62 1xpu h PHE 412 Ca -0.06 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.49 1xpu h PHE 412 Cb 0.47 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 39.15 1xpu h PHE 412 CO 0.01 0.22 0.50 0.35 -2.23 0.00 0.00 178.31 177.15 1xpu h PHE 413 N 0.00 0.93 -0.16 0.41 3.57 -1.92 -2.01 116.94 117.76 1xpu h PHE 413 Ca -0.04 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1xpu h PHE 413 Cb 1.20 -0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.64 1xpu h PHE 413 CO 0.00 0.48 0.00 -1.91 -2.23 0.00 0.00 178.31 174.65 1xpu n GLU 414 N -4.64 1.49 0.03 1.11 4.07 -1.26 -3.91 120.64 117.54 1xpu n GLU 414 Ca 0.11 -0.75 0.11 0.00 -0.06 0.00 0.00 57.16 56.57 1xpu n GLU 414 Cb 0.15 -1.27 -0.07 0.00 -0.06 0.00 0.00 31.44 30.19 1xpu n GLU 414 CO 0.00 0.00 0.00 -1.33 -0.06 0.00 0.00 177.13 175.74 1xpu n MET 415 N 0.03 0.52 -0.12 5.31 2.81 -0.76 -4.57 117.12 120.34 1xpu n MET 415 Ca 0.12 -0.05 -0.23 0.00 -1.81 0.00 0.00 57.70 55.73 1xpu n MET 415 Cb 0.21 -1.63 -0.11 0.00 -0.71 0.00 0.00 33.22 30.98 1xpu n MET 415 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1xpu n MET 416 N -2.27 0.64 -0.66 0.03 2.81 -1.25 -5.15 117.12 111.25 1xpu n MET 416 Ca -0.01 0.23 0.00 0.00 -1.81 0.00 0.00 57.70 56.11 1xpu n MET 416 Cb 0.52 -1.55 0.00 0.00 -0.71 0.00 0.00 33.22 31.48 1xpu n MET 416 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11