#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 6.90 -0.06 3.17 3.84 -1.26 -3.39 114.94 124.14 1xpu s ASN 2 Ca 0.00 1.27 -0.22 0.00 0.21 0.00 0.00 52.86 54.12 1xpu s ASN 2 Cb 0.00 -2.36 -0.17 0.00 -0.55 0.00 0.00 41.25 38.17 1xpu s ASN 2 CO 0.00 -0.02 0.88 0.25 -2.79 0.00 0.00 177.10 175.42 1xpu h LEU 3 N 3.10 -0.13 -2.17 3.21 5.85 -1.95 -3.05 115.31 120.17 1xpu h LEU 3 Ca -0.48 -0.43 0.01 0.00 0.84 0.00 0.00 57.88 57.82 1xpu h LEU 3 Cb 1.19 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 1xpu h LEU 3 CO 0.66 0.46 0.02 0.00 -0.34 0.00 0.00 178.44 179.24 1xpu h THR 4 N -0.83 0.81 -0.59 1.05 1.03 -1.90 0.13 112.91 112.60 1xpu h THR 4 Ca -0.02 0.00 -0.05 0.00 -0.01 0.00 0.00 66.41 66.34 1xpu h THR 4 Cb 0.56 0.98 -0.03 0.00 -1.07 0.00 0.00 68.15 68.59 1xpu h THR 4 CO 0.03 0.00 0.17 -0.08 -0.01 0.00 0.00 175.52 175.63 1xpu h GLU 5 N 0.00 0.89 0.26 0.00 4.57 -1.98 -2.84 114.58 115.48 1xpu h GLU 5 Ca 0.01 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.01 1xpu h GLU 5 Cb 0.05 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 28.51 1xpu h GLU 5 CO -0.00 0.78 -0.13 -0.07 -1.18 0.00 0.00 179.01 178.41 1xpu h LEU 6 N 0.86 -0.30 -1.68 1.64 3.38 -0.88 -3.12 115.31 115.21 1xpu h LEU 6 Ca 0.19 0.01 0.21 0.00 0.09 0.00 0.00 57.88 58.39 1xpu h LEU 6 Cb 0.27 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.07 1xpu h LEU 6 CO -0.01 -0.05 0.77 0.11 0.09 0.00 0.00 178.44 179.35 1xpu h LYS 7 N -0.68 0.00 0.00 1.13 1.57 -1.49 0.16 116.57 117.26 1xpu h LYS 7 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1xpu h LYS 7 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1xpu h LYS 7 CO 0.06 0.00 -1.03 0.09 -0.57 0.00 0.00 179.45 178.00 1xpu n ASN 8 N -3.60 0.74 -4.79 0.86 3.02 -1.07 -4.87 115.26 105.55 1xpu n ASN 8 Ca 0.15 0.21 -0.36 0.00 -0.03 0.00 0.00 54.58 54.55 1xpu n ASN 8 Cb 1.02 0.56 -0.06 0.00 -0.61 0.00 0.00 39.78 40.69 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 -3.33 4.20 0.68 3.41 -4.23 0.04 -5.03 115.64 111.38 1xpu s THR 9 Ca 0.00 1.75 -0.17 0.00 -1.18 0.00 0.00 61.69 62.09 1xpu s THR 9 Cb 0.11 -3.93 -0.04 0.00 1.34 0.00 0.00 72.50 69.97 1xpu s THR 9 CO 0.79 0.07 0.64 -2.65 -0.54 0.00 0.00 174.62 172.94 1xpu n PRO 10 N 0.36 0.43 -0.04 3.99 -0.02 -1.26 -4.83 135.00 133.64 1xpu n PRO 10 Ca 0.03 0.19 -0.10 0.00 -2.02 0.00 0.00 63.50 61.60 1xpu n PRO 10 Cb 0.51 -1.90 -0.04 0.00 -0.02 0.00 0.00 33.50 32.05 1xpu n PRO 10 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1xpu h VAL 11 N -0.15 1.05 -1.01 -1.45 2.07 -1.95 -2.87 116.25 111.93 1xpu h VAL 11 Ca -0.46 -0.09 0.24 0.00 0.82 0.00 0.00 66.70 67.21 1xpu h VAL 11 Cb 1.36 0.77 -0.11 0.00 -1.52 0.00 0.00 31.29 31.78 1xpu h VAL 11 CO 0.45 0.05 0.61 0.77 0.02 0.00 0.00 177.57 179.47 1xpu h SER 12 N 0.25 0.65 -0.22 0.57 4.64 -1.99 0.20 113.55 117.65 1xpu h SER 12 Ca 0.07 0.12 -0.13 0.00 -0.47 0.00 0.00 61.79 61.37 1xpu h SER 12 Cb -0.03 0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.07 1xpu h SER 12 CO -0.02 0.14 -0.39 -0.33 -0.87 0.00 0.00 176.83 175.37 1xpu h GLU 13 N 0.58 0.66 0.00 4.77 5.08 -1.88 -2.36 114.58 121.43 1xpu h GLU 13 Ca 0.62 -0.41 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 1xpu h GLU 13 Cb 1.21 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 1xpu h GLU 13 CO -0.42 1.02 -0.14 -0.07 -1.00 0.00 0.00 179.01 178.41 1xpu h LEU 14 N 0.36 0.00 -0.25 1.33 3.38 -0.99 0.66 115.31 119.80 1xpu h LEU 14 Ca 0.02 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1xpu h LEU 14 Cb 0.98 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.72 1xpu h LEU 14 CO 0.09 0.14 -0.16 0.40 0.09 0.00 0.00 178.44 178.99 1xpu h ILE 15 N 0.00 1.31 -0.24 1.22 2.04 -0.90 -1.88 117.51 119.06 1xpu h ILE 15 Ca -0.00 -1.28 -0.16 0.00 1.00 0.00 0.00 64.86 64.41 1xpu h ILE 15 Cb 0.26 1.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.92 1xpu h ILE 15 CO 0.02 0.40 -0.52 0.71 0.00 0.00 0.00 178.15 178.76 1xpu h THR 16 N 0.28 1.30 0.00 -0.27 1.35 -0.80 0.60 112.91 115.38 1xpu h THR 16 Ca 0.05 -1.74 -0.02 0.00 -0.55 0.00 0.00 66.41 64.15 1xpu h THR 16 Cb 0.69 1.67 -0.00 0.00 -1.73 0.00 0.00 68.15 68.78 1xpu h THR 16 CO 0.05 0.55 -0.12 0.25 -0.25 0.00 0.00 175.52 176.00 1xpu h LEU 17 N 0.53 0.00 0.09 3.87 6.46 0.29 0.75 115.31 127.30 1xpu h LEU 17 Ca 0.02 0.00 -0.24 0.00 -0.12 0.00 0.00 57.88 57.53 1xpu h LEU 17 Cb 1.08 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 41.04 1xpu h LEU 17 CO 0.11 0.12 -1.01 1.23 -0.62 0.00 0.00 178.44 178.26 1xpu h GLY 18 N 0.36 0.59 0.89 3.75 0.00 -1.13 -3.33 103.07 104.20 1xpu h GLY 18 Ca -0.00 -1.21 0.03 0.00 0.00 0.00 0.00 47.33 46.14 1xpu h GLY 18 CO 0.02 1.07 0.51 0.83 0.00 0.00 0.00 176.54 178.96 1xpu h GLU 19 N 0.08 0.96 -0.62 4.80 5.08 0.17 -1.15 114.58 123.90 1xpu h GLU 19 Ca -0.15 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1xpu h GLU 19 Cb 1.72 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.75 1xpu h GLU 19 CO 0.19 0.64 0.00 0.09 -1.00 0.00 0.00 179.01 178.93 1xpu n ASN 20 N -4.59 0.62 0.00 1.42 3.02 0.25 -1.22 115.26 114.76 1xpu n ASN 20 Ca 0.09 -1.32 0.00 0.00 -0.03 0.00 0.00 54.58 53.32 1xpu n ASN 20 Cb 0.08 -0.31 0.00 0.00 -0.61 0.00 0.00 39.78 38.94 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 0.13 0.09 -1.73 3.52 2.81 -0.54 -5.03 117.12 116.38 1xpu n MET 21 Ca 0.00 -0.30 0.00 0.00 -1.81 0.00 0.00 57.70 55.59 1xpu n MET 21 Cb 0.16 -0.57 0.00 0.00 -0.71 0.00 0.00 33.22 32.10 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 -0.03 0.64 3.10 3.03 0.00 -0.36 -5.09 105.19 106.49 1xpu n GLY 22 Ca 0.00 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.31 1.84 -0.04 0.99 1.43 -0.60 -4.98 118.68 116.02 1xpu s LEU 23 Ca 0.00 -0.45 0.04 0.00 -1.03 0.00 0.00 54.13 52.69 1xpu s LEU 23 Cb 0.00 -1.15 -0.06 0.00 0.03 0.00 0.00 46.19 45.01 1xpu s LEU 23 CO 0.00 0.06 0.04 -0.62 0.23 0.00 0.00 176.35 176.06 1xpu n GLU 24 N 3.92 2.47 -0.50 1.70 1.02 -1.26 -3.43 120.64 124.55 1xpu n GLU 24 Ca -0.20 -0.01 0.06 0.00 -0.02 0.00 0.00 57.16 56.99 1xpu n GLU 24 Cb 0.52 -1.12 0.26 0.00 -0.02 0.00 0.00 31.44 31.08 1xpu n GLU 24 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1xpu n ASN 25 N -2.05 3.77 -0.06 1.62 3.02 -1.26 -4.56 115.26 115.74 1xpu n ASN 25 Ca -0.06 -2.42 -0.08 0.00 -0.03 0.00 0.00 54.58 51.99 1xpu n ASN 25 Cb 0.52 -0.53 0.08 0.00 -0.61 0.00 0.00 39.78 39.24 1xpu n ASN 25 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1xpu h LEU 26 N 2.87 0.74 -1.85 3.41 3.38 -1.94 -3.27 115.31 118.64 1xpu h LEU 26 Ca 0.00 -0.30 0.07 0.00 0.09 0.00 0.00 57.88 57.74 1xpu h LEU 26 Cb 1.24 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1xpu h LEU 26 CO 0.22 1.00 0.25 0.00 0.09 0.00 0.00 178.44 180.00 1xpu h ALA 27 N 1.04 2.11 -0.79 1.53 0.00 -1.95 -2.33 119.26 118.87 1xpu h ALA 27 Ca 0.07 -0.01 -0.47 0.00 0.00 0.00 0.00 54.91 54.50 1xpu h ALA 27 Cb 0.84 -0.03 -0.26 0.00 0.00 0.00 0.00 17.79 18.34 1xpu h ALA 27 CO 0.07 -0.19 0.36 0.54 0.00 0.00 0.00 179.25 180.04 1xpu n ARG 28 N -4.47 2.36 -4.33 0.00 1.74 -1.23 -4.93 116.66 105.80 1xpu n ARG 28 Ca 0.05 -3.24 -0.20 0.00 -0.77 0.00 0.00 57.85 53.68 1xpu n ARG 28 Cb 0.30 -2.11 -0.11 0.00 -1.02 0.00 0.00 32.46 29.52 1xpu n ARG 28 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 1xpu s MET 29 N -3.45 1.28 0.48 5.56 -1.94 -0.88 -5.14 119.30 115.21 1xpu s MET 29 Ca 0.55 -1.46 -0.23 0.00 -1.71 0.00 0.00 55.69 52.84 1xpu s MET 29 Cb 0.46 -1.22 -0.07 0.00 2.01 0.00 0.00 34.83 36.01 1xpu s MET 29 CO 0.04 0.23 1.22 1.03 -0.01 0.00 0.00 175.02 177.53 1xpu s ARG 30 N -3.10 3.63 0.35 2.03 0.52 -1.26 -4.84 118.95 116.28 1xpu s ARG 30 Ca 0.18 1.92 0.16 0.00 -0.52 0.00 0.00 55.73 57.46 1xpu s ARG 30 Cb -0.04 -2.40 1.10 0.00 0.52 0.00 0.00 34.95 34.13 1xpu s ARG 30 CO 0.06 -0.70 1.68 -0.22 0.02 0.00 0.00 175.30 176.14 1xpu h LYS 31 N 1.96 0.33 0.00 3.54 3.64 -1.98 0.26 116.57 124.32 1xpu h LYS 31 Ca -0.50 -0.02 -0.06 0.00 -1.27 0.00 0.00 60.65 58.80 1xpu h LYS 31 Cb 1.26 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 1xpu h LYS 31 CO 0.60 0.22 -0.30 1.96 -2.27 0.00 0.00 179.45 179.65 1xpu h GLN 32 N 0.34 0.00 -0.06 1.90 7.50 -2.00 -2.36 115.11 120.44 1xpu h GLN 32 Ca 0.72 0.00 -0.18 0.00 0.50 0.00 0.00 58.65 59.68 1xpu h GLN 32 Cb 1.68 0.00 0.01 0.00 0.05 0.00 0.00 27.48 29.22 1xpu h GLN 32 CO -0.54 0.30 -0.69 -0.44 -1.50 0.00 0.00 178.83 175.97 1xpu h ASP 33 N 0.00 0.70 -0.52 1.46 3.32 -0.84 -2.66 116.42 117.88 1xpu h ASP 33 Ca -0.00 -0.70 0.00 0.00 0.02 0.00 0.00 57.03 56.35 1xpu h ASP 33 Cb 0.75 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.07 1xpu h ASP 33 CO 0.04 1.30 0.34 0.40 -1.72 0.00 0.00 179.24 179.60 1xpu h ILE 34 N 0.17 1.14 -0.95 0.35 2.04 -1.34 0.52 117.51 119.44 1xpu h ILE 34 Ca -0.07 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.55 1xpu h ILE 34 Cb 1.35 0.38 -0.05 0.00 -0.74 0.00 0.00 36.82 37.76 1xpu h ILE 34 CO 0.14 0.13 0.63 0.40 0.00 0.00 0.00 178.15 179.45 1xpu h ILE 35 N 0.70 1.24 -0.16 -0.67 1.08 -1.48 0.68 117.51 118.90 1xpu h ILE 35 Ca 0.19 -0.44 -0.14 0.00 -0.39 0.00 0.00 64.86 64.08 1xpu h ILE 35 Cb -0.07 -0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 33.52 1xpu h ILE 35 CO -0.04 0.23 -0.49 0.15 -0.69 0.00 0.00 178.15 177.31 1xpu h PHE 36 N 1.27 0.53 -0.17 1.37 3.57 -1.07 -2.51 116.94 119.93 1xpu h PHE 36 Ca 0.35 -0.17 -0.18 0.00 3.53 0.00 0.00 57.97 61.50 1xpu h PHE 36 Cb -0.13 -0.11 -0.00 0.00 2.79 0.00 0.00 35.95 38.50 1xpu h PHE 36 CO -0.00 0.84 -0.61 0.00 -2.23 0.00 0.00 178.31 176.30 1xpu h ALA 37 N 1.13 0.61 -0.21 2.41 0.00 0.15 0.32 119.26 123.67 1xpu h ALA 37 Ca 0.02 -0.54 -0.03 0.00 0.00 0.00 0.00 54.91 54.35 1xpu h ALA 37 Cb 0.99 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1xpu h ALA 37 CO 0.09 0.70 -0.01 0.82 0.00 0.00 0.00 179.25 180.85 1xpu h ILE 38 N 0.43 1.26 -0.67 0.00 2.04 0.29 -3.00 117.51 117.85 1xpu h ILE 38 Ca -0.01 -0.90 -0.05 0.00 1.00 0.00 0.00 64.86 64.91 1xpu h ILE 38 Cb 1.18 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 38.67 1xpu h ILE 38 CO 0.12 0.27 0.23 -0.07 0.00 0.00 0.00 178.15 178.70 1xpu h LEU 39 N 0.13 0.96 -1.37 1.44 3.38 -1.41 -1.01 115.31 117.42 1xpu h LEU 39 Ca 0.06 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 57.85 1xpu h LEU 39 Cb 0.41 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1xpu h LEU 39 CO 0.01 0.90 0.44 0.50 0.09 0.00 0.00 178.44 180.38 1xpu h LYS 40 N 0.97 0.81 0.00 1.13 1.63 -0.93 -2.30 116.57 117.88 1xpu h LYS 40 Ca 0.22 -0.05 -0.18 0.00 -0.85 0.00 0.00 60.65 59.79 1xpu h LYS 40 Cb 0.27 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 31.68 1xpu h LYS 40 CO -0.01 0.54 -1.27 0.37 -3.45 0.00 0.00 179.45 175.63 1xpu h GLN 41 N 0.84 0.00 -0.01 1.90 4.15 -1.41 -3.27 115.11 117.31 1xpu h GLN 41 Ca 0.26 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.68 1xpu h GLN 41 Cb -0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1xpu h GLN 41 CO -0.07 0.41 0.00 1.58 -1.93 0.00 0.00 178.83 178.83 1xpu n HIS 42 N -3.01 0.00 -0.65 3.99 -0.00 -0.39 -4.22 115.22 110.94 1xpu n HIS 42 Ca -0.08 0.00 -0.20 0.00 0.46 0.00 0.00 57.72 57.90 1xpu n HIS 42 Cb 0.86 -0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.71 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 -0.48 4.15 0.00 1.57 0.00 -1.19 -3.16 120.51 121.39 1xpu n ALA 43 Ca 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 53.44 51.69 1xpu n ALA 43 Cb 0.00 -2.95 0.00 0.00 0.00 0.00 0.00 19.45 16.50 1xpu n ALA 43 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1xpu n LYS 44 N 4.40 0.00 -3.66 0.00 4.76 -1.26 -5.06 118.16 117.34 1xpu n LYS 44 Ca 0.39 0.00 -0.37 0.00 -2.87 0.00 0.00 58.31 55.45 1xpu n LYS 44 Cb 0.12 -0.33 -0.11 0.00 -1.84 0.00 0.00 35.03 32.88 1xpu n LYS 44 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1xpu s SER 45 N -4.10 5.91 0.00 4.39 0.15 -1.19 -5.04 113.70 113.82 1xpu s SER 45 Ca 0.00 0.00 0.00 0.00 0.70 0.00 0.00 55.95 56.65 1xpu s SER 45 Cb 0.00 -2.08 0.00 0.00 -1.71 0.00 0.00 66.02 62.23 1xpu s SER 45 CO 0.00 -0.00 0.14 0.61 1.20 0.00 0.00 173.24 175.19 1xpu n GLY 46 N 4.73 0.17 0.00 9.45 0.00 -1.26 -4.05 105.19 114.22 1xpu n GLY 46 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1xpu n GLY 46 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xpu n GLU 47 N -0.41 0.00 -0.09 1.61 4.71 -1.26 -3.21 120.64 121.99 1xpu n GLU 47 Ca 0.00 0.00 -0.11 0.00 -0.01 0.00 0.00 57.16 57.04 1xpu n GLU 47 Cb 0.00 -1.17 -0.15 0.00 -1.01 0.00 0.00 31.44 29.10 1xpu n GLU 47 CO 0.00 0.00 0.00 -3.47 0.09 0.00 0.00 177.13 173.75 1xpu n ASP 48 N -0.53 0.26 -4.65 1.62 2.03 -1.26 -4.91 116.55 109.11 1xpu n ASP 48 Ca 0.00 0.03 -0.43 0.00 0.52 0.00 0.00 54.79 54.91 1xpu n ASP 48 Cb 0.00 0.77 -0.03 0.00 -0.72 0.00 0.00 41.12 41.15 1xpu n ASP 48 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1xpu s ILE 49 N -2.50 4.67 0.52 5.18 1.01 -1.20 -4.48 121.20 124.40 1xpu s ILE 49 Ca -0.12 1.83 0.09 0.00 0.00 0.00 0.00 60.65 62.45 1xpu s ILE 49 Cb 0.06 -4.29 0.05 0.00 0.01 0.00 0.00 42.46 38.30 1xpu s ILE 49 CO 0.81 -0.23 0.66 -0.36 0.00 0.00 0.00 174.94 175.81 1xpu s PHE 50 N 3.23 1.92 -0.02 3.97 0.08 -1.22 -3.39 117.98 122.55 1xpu s PHE 50 Ca 0.42 -0.63 -0.29 0.00 0.12 0.00 0.00 56.93 56.55 1xpu s PHE 50 Cb -0.14 -2.22 0.10 0.00 -0.57 0.00 0.00 43.02 40.19 1xpu s PHE 50 CO 0.09 -0.80 0.89 0.20 -0.10 0.00 0.00 175.22 175.50 1xpu s GLY 51 N -4.50 -0.45 0.06 4.36 0.00 -0.16 -3.63 107.32 103.01 1xpu s GLY 51 Ca 0.56 1.09 -0.27 0.00 0.00 0.00 0.00 44.72 46.10 1xpu s GLY 51 CO 0.35 0.40 0.87 0.51 0.00 0.00 0.00 173.10 175.22 1xpu s ASP 52 N -2.36 -0.33 0.00 1.64 -4.77 -1.26 -1.41 116.67 108.18 1xpu s ASP 52 Ca 0.04 -0.12 0.00 0.00 -3.30 0.00 0.00 52.55 49.17 1xpu s ASP 52 Cb -0.01 0.44 0.00 0.00 -1.09 0.00 0.00 42.92 42.26 1xpu s ASP 52 CO -0.08 -0.75 0.00 0.61 0.70 0.00 0.00 175.17 175.65 1xpu n GLY 53 N -0.33 -2.08 3.73 2.12 0.00 -0.75 -4.73 105.19 103.15 1xpu n GLY 53 Ca -0.09 -1.18 -0.36 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.19 5.35 0.07 1.61 1.01 0.16 -1.26 120.40 125.15 1xpu s VAL 54 Ca 0.00 0.39 -0.30 0.00 0.00 0.00 0.00 61.98 62.07 1xpu s VAL 54 Cb 0.00 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.77 1xpu s VAL 54 CO 0.00 0.41 1.11 -0.22 0.00 0.00 0.00 175.10 176.40 1xpu s LEU 55 N 0.44 4.40 -0.35 3.92 2.96 -0.23 0.16 118.68 129.98 1xpu s LEU 55 Ca 0.13 1.92 0.03 0.00 -0.22 0.00 0.00 54.13 55.99 1xpu s LEU 55 Cb -0.12 -3.58 0.10 0.00 0.50 0.00 0.00 46.19 43.09 1xpu s LEU 55 CO 0.01 -0.36 0.08 -0.70 -1.32 0.00 0.00 176.35 174.07 1xpu s GLU 56 N 0.76 1.39 -0.20 1.98 2.12 0.61 -1.15 118.70 124.21 1xpu s GLU 56 Ca 0.55 -1.81 -0.29 0.00 0.36 0.00 0.00 54.97 53.78 1xpu s GLU 56 Cb -0.27 -3.00 -0.01 0.00 0.26 0.00 0.00 34.13 31.11 1xpu s GLU 56 CO 0.30 -0.97 1.28 0.42 -0.54 0.00 0.00 175.26 175.76 1xpu s ILE 57 N 0.92 4.23 0.80 -3.70 1.01 -1.26 -1.86 121.20 121.33 1xpu s ILE 57 Ca 0.11 1.46 -0.13 0.00 0.00 0.00 0.00 60.65 62.09 1xpu s ILE 57 Cb -0.19 -4.03 0.19 0.00 0.01 0.00 0.00 42.46 38.44 1xpu s ILE 57 CO -0.10 -0.23 0.87 0.18 0.00 0.00 0.00 174.94 175.66 1xpu n LEU 58 N 6.92 0.00 0.23 2.97 4.32 0.87 -4.92 117.00 127.39 1xpu n LEU 58 Ca 0.14 -0.94 0.09 0.00 -0.02 0.00 0.00 56.01 55.28 1xpu n LEU 58 Cb 0.45 -0.73 0.58 0.00 -1.62 0.00 0.00 43.42 42.10 1xpu n LEU 58 CO 0.58 -1.52 0.89 -0.61 -1.22 0.00 0.00 177.39 175.50 1xpu h GLN 59 N 0.00 0.00 -1.11 3.23 5.75 -1.96 -3.25 115.11 117.77 1xpu h GLN 59 Ca -0.30 0.00 -0.57 0.00 -0.15 0.00 0.00 58.65 57.63 1xpu h GLN 59 Cb 0.88 0.00 -0.25 0.00 1.07 0.00 0.00 27.48 29.17 1xpu h GLN 59 CO 0.21 0.20 0.73 -0.25 -2.65 0.00 0.00 178.83 177.07 1xpu n ASP 60 N -3.84 6.82 0.00 -0.69 8.00 -1.26 -4.88 116.55 120.71 1xpu n ASP 60 Ca -0.02 -3.57 0.00 0.00 0.71 0.00 0.00 54.79 51.91 1xpu n ASP 60 Cb 0.30 -0.97 0.00 0.00 -0.02 0.00 0.00 41.12 40.43 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 -0.65 1.87 3.96 0.44 0.00 -1.23 -4.90 105.19 104.69 1xpu n GLY 61 Ca 0.54 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.53 3.47 0.25 1.61 -0.12 -1.26 -4.13 117.98 117.28 1xpu s PHE 62 Ca 0.00 0.13 0.01 0.00 -0.05 0.00 0.00 56.93 57.02 1xpu s PHE 62 Cb 0.00 -1.70 -0.00 0.00 -0.63 0.00 0.00 43.02 40.69 1xpu s PHE 62 CO 0.00 0.31 0.32 0.41 -0.05 0.00 0.00 175.22 176.21 1xpu n GLY 63 N -1.54 2.61 3.16 1.99 0.00 -0.88 -0.09 105.19 110.44 1xpu n GLY 63 Ca -0.07 -1.63 -0.19 0.00 0.00 0.00 0.00 46.02 44.13 1xpu n GLY 63 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xpu s PHE 64 N -3.34 1.20 -0.39 1.61 0.08 -0.78 -0.05 117.98 116.32 1xpu s PHE 64 Ca 0.23 -0.42 -0.18 0.00 0.12 0.00 0.00 56.93 56.68 1xpu s PHE 64 Cb -0.00 -0.69 0.01 0.00 -0.57 0.00 0.00 43.02 41.77 1xpu s PHE 64 CO 0.17 0.05 0.52 -0.51 -0.10 0.00 0.00 175.22 175.34 1xpu s LEU 65 N -1.54 4.50 0.03 -0.37 1.43 0.81 -0.28 118.68 123.26 1xpu s LEU 65 Ca -0.01 -0.25 0.02 0.00 -1.03 0.00 0.00 54.13 52.85 1xpu s LEU 65 Cb -0.09 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.53 1xpu s LEU 65 CO 0.02 -0.56 0.04 -0.13 0.23 0.00 0.00 176.35 175.94 1xpu s ARG 66 N 2.42 2.84 0.11 1.70 0.52 0.12 -2.86 118.95 123.81 1xpu s ARG 66 Ca 0.18 -0.63 -0.09 0.00 -0.52 0.00 0.00 55.73 54.67 1xpu s ARG 66 Cb -0.16 -2.71 -0.06 0.00 0.52 0.00 0.00 34.95 32.54 1xpu s ARG 66 CO 0.15 0.60 0.42 -1.54 0.02 0.00 0.00 175.30 174.95 1xpu s SER 67 N -1.92 6.61 0.34 0.23 1.04 -1.26 0.40 113.70 119.15 1xpu s SER 67 Ca 0.24 0.77 0.26 0.00 0.48 0.00 0.00 55.95 57.70 1xpu s SER 67 Cb -0.12 -2.17 0.83 0.00 0.10 0.00 0.00 66.02 64.66 1xpu s SER 67 CO 0.15 0.11 1.76 0.00 0.98 0.00 0.00 173.24 176.24 1xpu h ALA 68 N 3.36 1.00 0.00 5.32 0.00 -1.95 -1.36 119.26 125.63 1xpu h ALA 68 Ca -0.48 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 1xpu h ALA 68 Cb 1.18 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1xpu h ALA 68 CO 0.68 0.00 -0.33 0.38 0.00 0.00 0.00 179.25 179.98 1xpu h ASP 69 N 0.00 0.00 -0.65 0.00 2.03 -1.94 -1.76 116.42 114.10 1xpu h ASP 69 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1xpu h ASP 69 Cb 0.68 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.18 1xpu h ASP 69 CO 0.00 0.33 0.00 -1.20 -1.03 0.00 0.00 179.24 177.34 1xpu n SER 70 N -4.06 4.45 -2.62 4.15 7.64 -1.20 -4.91 113.62 117.08 1xpu n SER 70 Ca -0.02 -2.34 -0.16 0.00 1.01 0.00 0.00 58.87 57.36 1xpu n SER 70 Cb 0.38 -0.55 -0.00 0.00 -1.01 0.00 0.00 64.21 63.02 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 1.20 -4.36 -1.65 6.43 7.64 -0.66 -1.49 113.62 120.73 1xpu n SER 71 Ca 0.25 0.04 -0.12 0.00 1.01 0.00 0.00 58.87 60.04 1xpu n SER 71 Cb 0.81 -3.66 0.01 0.00 -1.01 0.00 0.00 64.21 60.36 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 -3.65 -0.92 -2.28 1.43 4.01 -0.52 -4.77 117.16 110.46 1xpu n TYR 72 Ca -0.14 0.19 -0.42 0.00 -0.16 0.00 0.00 57.90 57.37 1xpu n TYR 72 Cb 0.61 -2.88 -0.03 0.00 -0.31 0.00 0.00 39.34 36.74 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 -3.78 4.32 -0.10 7.72 2.96 -0.55 -4.95 118.68 124.30 1xpu s LEU 73 Ca 0.11 2.06 -0.29 0.00 -0.22 0.00 0.00 54.13 55.79 1xpu s LEU 73 Cb -0.05 -3.56 -0.07 0.00 0.50 0.00 0.00 46.19 43.01 1xpu s LEU 73 CO 0.14 -0.67 2.02 0.00 -1.32 0.00 0.00 176.35 176.52 1xpu s ALA 74 N 2.18 3.21 0.39 5.97 0.00 -1.26 -4.89 121.76 127.36 1xpu s ALA 74 Ca 0.62 1.00 0.04 0.00 0.00 0.00 0.00 51.96 53.62 1xpu s ALA 74 Cb -0.30 -3.94 -0.01 0.00 0.00 0.00 0.00 23.12 18.87 1xpu s ALA 74 CO 0.26 -2.10 0.13 0.41 0.00 0.00 0.00 175.76 174.46 1xpu n GLY 75 N 5.03 3.31 0.14 0.00 0.00 -1.26 -5.05 105.19 107.36 1xpu n GLY 75 Ca 0.24 -2.12 0.13 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.86 1.61 0.13 -1.93 -3.27 132.00 127.69 1xpu h PRO 76 Ca -0.31 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.24 1xpu h PRO 76 Cb 1.15 0.00 -0.33 0.00 0.13 0.00 0.00 31.00 31.95 1xpu h PRO 76 CO 0.49 0.00 0.16 -0.40 -0.23 0.00 0.00 178.00 178.01 1xpu n ASP 77 N -2.38 6.11 -4.67 1.44 3.85 -1.26 -4.76 116.55 114.88 1xpu n ASP 77 Ca 0.04 -3.77 -0.36 0.00 -0.71 0.00 0.00 54.79 49.99 1xpu n ASP 77 Cb 0.35 -0.71 -0.09 0.00 -1.35 0.00 0.00 41.12 39.33 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 -2.53 6.16 -0.20 -1.12 1.11 -1.24 -4.98 116.67 113.88 1xpu s ASP 78 Ca 0.58 0.17 -0.29 0.00 0.18 0.00 0.00 52.55 53.19 1xpu s ASP 78 Cb 0.46 -2.11 -0.04 0.00 1.07 0.00 0.00 42.92 42.30 1xpu s ASP 78 CO 0.01 0.08 1.95 -0.63 1.18 0.00 0.00 175.17 177.76 1xpu s ILE 79 N 0.94 3.26 0.26 0.77 1.09 -1.13 -4.41 121.20 121.98 1xpu s ILE 79 Ca 0.09 0.29 -0.30 0.00 -1.10 0.00 0.00 60.65 59.62 1xpu s ILE 79 Cb -0.13 -3.30 -0.10 0.00 -1.06 0.00 0.00 42.46 37.87 1xpu s ILE 79 CO 0.04 -0.16 1.41 -0.47 -0.10 0.00 0.00 174.94 175.65 1xpu s TYR 80 N 6.68 3.05 -0.07 3.97 5.04 0.28 -0.13 117.35 136.15 1xpu s TYR 80 Ca 0.88 1.11 0.05 0.00 -2.44 0.00 0.00 57.07 56.67 1xpu s TYR 80 Cb -0.31 -3.78 -0.01 0.00 0.35 0.00 0.00 41.96 38.22 1xpu s TYR 80 CO 0.35 -2.46 -0.24 0.08 -1.34 0.00 0.00 175.55 171.93 1xpu s VAL 81 N -0.17 2.04 0.34 3.14 1.01 0.92 -1.95 120.40 125.73 1xpu s VAL 81 Ca 0.57 -1.04 -0.14 0.00 0.00 0.00 0.00 61.98 61.37 1xpu s VAL 81 Cb -0.41 -1.74 -0.08 0.00 0.00 0.00 0.00 36.38 34.15 1xpu s VAL 81 CO 0.44 0.56 0.74 -0.94 0.00 0.00 0.00 175.10 175.90 1xpu s SER 82 N -0.00 6.71 0.63 3.32 1.04 -1.26 -2.07 113.70 122.06 1xpu s SER 82 Ca -0.08 1.23 0.41 0.00 0.48 0.00 0.00 55.95 57.99 1xpu s SER 82 Cb -0.15 -2.36 2.21 0.00 0.10 0.00 0.00 66.02 65.82 1xpu s SER 82 CO 0.05 -0.24 2.24 -0.65 0.98 0.00 0.00 173.24 175.62 1xpu h PRO 83 N 2.04 0.00 0.06 4.02 0.11 -1.91 -1.28 132.00 135.04 1xpu h PRO 83 Ca -0.48 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.38 1xpu h PRO 83 Cb 1.18 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.30 1xpu h PRO 83 CO 0.65 0.00 -1.08 0.77 -0.21 0.00 0.00 178.00 178.13 1xpu h SER 84 N 0.00 0.58 0.18 -2.05 0.02 -1.93 -3.18 113.55 107.17 1xpu h SER 84 Ca 0.00 -0.51 -0.16 0.00 -0.84 0.00 0.00 61.79 60.27 1xpu h SER 84 Cb 0.08 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 1xpu h SER 84 CO 0.00 1.34 -0.62 1.56 -1.14 0.00 0.00 176.83 177.96 1xpu h GLN 85 N 0.20 0.43 -0.76 3.45 4.20 -1.64 -1.30 115.11 119.69 1xpu h GLN 85 Ca -0.11 -0.30 0.09 0.00 0.06 0.00 0.00 58.65 58.39 1xpu h GLN 85 Cb 1.74 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 29.52 1xpu h GLN 85 CO 0.19 0.92 0.50 0.82 -0.67 0.00 0.00 178.83 180.58 1xpu h ILE 86 N 0.32 0.95 0.00 2.54 1.08 -1.50 -2.74 117.51 118.16 1xpu h ILE 86 Ca -0.01 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 64.22 1xpu h ILE 86 Cb 1.17 0.20 0.00 0.00 -3.07 0.00 0.00 36.82 35.11 1xpu h ILE 86 CO 0.11 0.13 -1.31 0.54 -0.69 0.00 0.00 178.15 176.92 1xpu n ARG 87 N -4.50 0.49 -0.05 2.37 1.74 -1.12 -0.93 116.66 114.67 1xpu n ARG 87 Ca 0.13 -0.02 -0.16 0.00 -0.77 0.00 0.00 57.85 57.02 1xpu n ARG 87 Cb 0.32 -1.64 -0.06 0.00 -1.02 0.00 0.00 32.46 30.06 1xpu n ARG 87 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 1xpu h ARG 88 N 0.00 0.84 -0.15 5.56 9.65 -0.95 -3.35 114.38 125.98 1xpu h ARG 88 Ca 0.00 -0.61 0.00 0.00 -1.10 0.00 0.00 59.98 58.27 1xpu h ARG 88 Cb 0.89 0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.58 1xpu h ARG 88 CO 0.00 1.23 0.00 1.19 2.80 0.00 0.00 179.97 185.19 1xpu n PHE 89 N -3.97 0.20 -3.64 2.20 3.72 -1.06 -5.00 117.46 109.91 1xpu n PHE 89 Ca -0.06 -0.49 -0.24 0.00 -0.05 0.00 0.00 57.45 56.61 1xpu n PHE 89 Cb 0.70 -0.04 0.07 0.00 -0.94 0.00 0.00 39.48 39.27 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 -0.04 -5.55 -4.75 4.37 5.15 -0.89 -4.94 115.26 108.61 1xpu n ASN 90 Ca 0.05 -0.60 -0.41 0.00 -0.60 0.00 0.00 54.58 53.03 1xpu n ASN 90 Cb 0.32 -4.82 -0.04 0.00 -0.53 0.00 0.00 39.78 34.71 1xpu n ASN 90 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1xpu s LEU 91 N -7.20 4.53 0.43 1.20 1.43 -0.10 -5.02 118.68 113.94 1xpu s LEU 91 Ca 0.53 2.23 0.04 0.00 -1.03 0.00 0.00 54.13 55.89 1xpu s LEU 91 Cb -0.24 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.32 1xpu s LEU 91 CO 0.75 -0.19 0.04 -0.13 0.23 0.00 0.00 176.35 177.05 1xpu s ARG 92 N -1.06 1.97 0.41 1.70 0.52 -1.26 -4.88 118.95 116.35 1xpu s ARG 92 Ca 0.47 -2.18 -0.24 0.00 -0.52 0.00 0.00 55.73 53.25 1xpu s ARG 92 Cb -0.31 -1.28 -0.08 0.00 0.52 0.00 0.00 34.95 33.79 1xpu s ARG 92 CO 0.39 -0.25 1.14 0.95 0.02 0.00 0.00 175.30 177.55 1xpu s THR 93 N -2.96 3.29 0.00 0.02 -4.23 -1.26 -2.79 115.64 107.71 1xpu s THR 93 Ca 0.24 1.03 0.00 0.00 -1.18 0.00 0.00 61.69 61.78 1xpu s THR 93 Cb 0.06 -3.56 0.00 0.00 1.34 0.00 0.00 72.50 70.34 1xpu s THR 93 CO 0.12 0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.86 1xpu n GLY 94 N 0.53 1.81 3.67 3.99 0.00 -0.30 -4.62 105.19 110.27 1xpu n GLY 94 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.51 6.77 -0.03 1.61 1.01 -1.12 -4.06 116.67 118.34 1xpu s ASP 95 Ca 0.00 2.13 -0.25 0.00 0.71 0.00 0.00 52.55 55.15 1xpu s ASP 95 Cb 0.00 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.34 1xpu s ASP 95 CO 0.00 -0.82 0.76 -0.89 0.21 0.00 0.00 175.17 174.43 1xpu s THR 96 N 3.22 4.94 -0.06 -1.27 2.01 -1.26 -1.07 115.64 122.15 1xpu s THR 96 Ca 0.67 1.59 0.02 0.00 0.31 0.00 0.00 61.69 64.29 1xpu s THR 96 Cb -0.31 -4.11 0.01 0.00 0.01 0.00 0.00 72.50 68.10 1xpu s THR 96 CO 0.26 0.26 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.71 1xpu s ILE 97 N 0.62 1.10 0.04 1.82 1.01 -0.39 -0.20 121.20 125.20 1xpu s ILE 97 Ca 0.40 -0.47 0.06 0.00 0.00 0.00 0.00 60.65 60.64 1xpu s ILE 97 Cb -0.19 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.25 1xpu s ILE 97 CO 0.21 0.34 -0.16 -0.44 0.00 0.00 0.00 174.94 174.89 1xpu s SER 98 N 0.57 3.95 0.00 3.58 0.01 0.02 -1.80 113.70 120.03 1xpu s SER 98 Ca -0.12 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 56.76 1xpu s SER 98 Cb -0.15 -0.70 0.00 0.00 0.21 0.00 0.00 66.02 65.39 1xpu s SER 98 CO 0.03 0.26 0.00 0.61 0.41 0.00 0.00 173.24 174.55 1xpu n GLY 99 N 1.54 -2.38 3.73 3.44 0.00 -0.50 -1.00 105.19 110.02 1xpu n GLY 99 Ca -0.16 -1.27 -0.41 0.00 0.00 0.00 0.00 46.02 44.18 1xpu n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xpu s LYS 100 N -1.95 4.63 -0.09 1.61 1.02 0.02 -0.99 119.74 123.98 1xpu s LYS 100 Ca 0.00 1.59 0.04 0.00 0.02 0.00 0.00 55.97 57.62 1xpu s LYS 100 Cb 0.00 -3.34 -0.00 0.00 -0.52 0.00 0.00 37.83 33.97 1xpu s LYS 100 CO 0.00 0.10 -0.23 0.96 -0.92 0.00 0.00 175.35 175.26 1xpu s ILE 101 N 0.03 2.13 0.02 2.17 -4.36 -1.22 -0.12 121.20 119.85 1xpu s ILE 101 Ca 0.49 -1.01 -0.09 0.00 -0.26 0.00 0.00 60.65 59.78 1xpu s ILE 101 Cb -0.26 -1.80 -0.05 0.00 1.25 0.00 0.00 42.46 41.59 1xpu s ILE 101 CO 0.32 0.56 0.33 0.00 0.24 0.00 0.00 174.94 176.39 1xpu s ARG 102 N 0.23 3.70 1.02 0.37 1.70 0.54 -4.83 118.95 121.67 1xpu s ARG 102 Ca -0.15 0.11 -0.12 0.00 -0.47 0.00 0.00 55.73 55.10 1xpu s ARG 102 Cb -0.17 -3.08 0.20 0.00 -0.57 0.00 0.00 34.95 31.33 1xpu s ARG 102 CO 0.08 0.64 1.08 -2.14 -1.08 0.00 0.00 175.30 173.87 1xpu s PRO 103 N -1.62 0.24 0.28 3.89 0.02 -1.26 -1.75 135.00 134.81 1xpu s PRO 103 Ca 0.28 0.76 -0.29 0.00 0.02 0.00 0.00 61.00 61.77 1xpu s PRO 103 Cb -0.14 -1.70 -0.10 0.00 0.02 0.00 0.00 34.50 32.59 1xpu s PRO 103 CO 0.15 -2.92 1.17 -2.14 -0.33 0.00 0.00 177.00 172.94 1xpu s PRO 104 N -4.78 4.54 0.00 5.54 0.02 -1.25 -4.65 135.00 134.41 1xpu s PRO 104 Ca 0.66 1.94 0.00 0.00 0.02 0.00 0.00 61.00 63.62 1xpu s PRO 104 Cb -0.21 -3.16 0.00 0.00 0.02 0.00 0.00 34.50 31.15 1xpu s PRO 104 CO 0.60 0.06 0.00 1.63 -0.33 0.00 0.00 177.00 178.95 1xpu n LYS 105 N 1.22 1.63 -2.85 5.54 5.02 -1.26 -4.93 118.16 122.54 1xpu n LYS 105 Ca -0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 1xpu n LYS 105 Cb 0.44 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.41 1xpu n LYS 105 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1xpu s GLU 106 N 0.78 4.51 0.00 1.97 0.41 -1.26 -2.84 118.70 122.26 1xpu s GLU 106 Ca 0.00 1.20 0.00 0.00 -0.41 0.00 0.00 54.97 55.76 1xpu s GLU 106 Cb 0.00 -3.46 0.00 0.00 -1.78 0.00 0.00 34.13 28.89 1xpu s GLU 106 CO 0.00 -0.01 0.00 0.41 -0.49 0.00 0.00 175.26 175.17 1xpu n GLY 107 N 2.99 1.33 3.72 -1.39 0.00 -1.26 -5.03 105.19 105.55 1xpu n GLY 107 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.21 4.30 -0.11 1.61 2.02 -1.13 -4.97 118.70 120.21 1xpu s GLU 108 Ca 0.00 0.30 0.18 0.00 0.02 0.00 0.00 54.97 55.46 1xpu s GLU 108 Cb 0.00 -3.44 -0.24 0.00 0.10 0.00 0.00 34.13 30.55 1xpu s GLU 108 CO 0.00 0.18 0.35 -2.13 0.02 0.00 0.00 175.26 173.68 1xpu n ARG 109 N 3.69 0.66 -4.54 1.61 0.00 -1.26 -4.60 116.66 112.22 1xpu n ARG 109 Ca -0.09 0.05 -0.25 0.00 -0.00 0.00 0.00 57.85 57.56 1xpu n ARG 109 Cb 0.52 -1.61 -0.11 0.00 0.00 0.00 0.00 32.46 31.26 1xpu n ARG 109 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.63 178.34 1xpu s TYR 110 N -2.74 2.29 -0.07 -0.14 2.02 -1.26 -4.99 117.35 112.46 1xpu s TYR 110 Ca -0.08 -0.72 -0.28 0.00 -0.37 0.00 0.00 57.07 55.63 1xpu s TYR 110 Cb 0.08 -1.51 -0.03 0.00 -0.40 0.00 0.00 41.96 40.11 1xpu s TYR 110 CO 0.84 0.34 0.89 -0.06 -1.57 0.00 0.00 175.55 175.99 1xpu s PHE 111 N -2.88 3.57 0.07 2.71 2.99 -1.26 -3.86 117.98 119.32 1xpu s PHE 111 Ca 0.34 1.50 -0.05 0.00 0.00 0.00 0.00 56.93 58.72 1xpu s PHE 111 Cb 0.08 -3.04 -0.05 0.00 0.00 0.00 0.00 43.02 40.01 1xpu s PHE 111 CO 0.16 -0.07 0.30 0.00 -0.00 0.00 0.00 175.22 175.61 1xpu s ALA 112 N 1.36 3.85 0.00 5.36 0.00 -0.71 0.98 121.76 132.61 1xpu s ALA 112 Ca 0.45 -0.61 -0.30 0.00 0.00 0.00 0.00 51.96 51.50 1xpu s ALA 112 Cb -0.19 -2.05 -0.06 0.00 0.00 0.00 0.00 23.12 20.82 1xpu s ALA 112 CO 0.21 0.69 1.51 -1.17 0.00 0.00 0.00 175.76 176.99 1xpu s LEU 113 N -2.23 4.33 -0.21 0.00 2.96 -0.82 -0.34 118.68 122.36 1xpu s LEU 113 Ca 0.34 2.22 -0.16 0.00 -0.22 0.00 0.00 54.13 56.31 1xpu s LEU 113 Cb -0.13 -3.56 -0.11 0.00 0.50 0.00 0.00 46.19 42.90 1xpu s LEU 113 CO 0.22 -0.80 -0.16 -0.11 -1.32 0.00 0.00 176.35 174.17 1xpu n LEU 114 N 5.76 1.89 -3.88 -0.68 7.94 0.83 -4.81 117.00 124.05 1xpu n LEU 114 Ca 0.15 0.43 -0.20 0.00 -1.11 0.00 0.00 56.01 55.27 1xpu n LEU 114 Cb 0.43 -0.85 -0.16 0.00 0.53 0.00 0.00 43.42 43.36 1xpu n LEU 114 CO 0.60 0.08 -0.41 -0.54 -1.11 0.00 0.00 177.39 176.02 1xpu s LYS 115 N -2.50 0.82 -0.63 1.96 -0.14 -0.78 -4.99 119.74 113.47 1xpu s LYS 115 Ca -0.29 -0.09 -0.24 0.00 -1.36 0.00 0.00 55.97 54.00 1xpu s LYS 115 Cb 0.07 -0.86 0.05 0.00 -1.68 0.00 0.00 37.83 35.42 1xpu s LYS 115 CO 0.45 -0.10 0.99 0.08 -0.76 0.00 0.00 175.35 176.01 1xpu s VAL 116 N 1.01 4.28 0.11 3.17 1.01 -1.26 -0.80 120.40 127.91 1xpu s VAL 116 Ca -0.10 -0.03 -0.14 0.00 0.00 0.00 0.00 61.98 61.72 1xpu s VAL 116 Cb -0.14 -4.66 -0.08 0.00 0.00 0.00 0.00 36.38 31.50 1xpu s VAL 116 CO -0.00 -1.38 1.42 0.78 0.00 0.00 0.00 175.10 175.92 1xpu h ASN 117 N 9.53 0.83 -3.77 3.32 2.35 -1.41 -3.47 115.58 122.95 1xpu h ASN 117 Ca -0.28 -0.49 -0.06 0.00 -0.55 0.00 0.00 56.30 54.92 1xpu h ASN 117 Cb 1.07 -0.23 -0.22 0.00 0.05 0.00 0.00 38.32 38.98 1xpu h ASN 117 CO 1.16 1.15 -0.03 -0.70 -1.65 0.00 0.00 177.43 177.36 1xpu s GLU 118 N -4.29 0.68 -0.13 0.81 2.12 -0.48 -4.67 118.70 112.74 1xpu s GLU 118 Ca -0.12 0.88 0.01 0.00 0.36 0.00 0.00 54.97 56.10 1xpu s GLU 118 Cb 0.09 0.29 -0.01 0.00 0.26 0.00 0.00 34.13 34.76 1xpu s GLU 118 CO 0.85 -0.10 -0.17 0.08 -0.54 0.00 0.00 175.26 175.38 1xpu s VAL 119 N 0.58 2.65 -1.28 3.70 1.01 -1.10 -0.80 120.40 125.16 1xpu s VAL 119 Ca -0.02 -0.79 -0.10 0.00 0.00 0.00 0.00 61.98 61.07 1xpu s VAL 119 Cb -0.05 -2.09 0.08 0.00 0.00 0.00 0.00 36.38 34.32 1xpu s VAL 119 CO -0.03 0.53 0.49 0.59 0.00 0.00 0.00 175.10 176.68 1xpu n ASN 120 N 3.74 -3.55 -3.66 3.32 3.02 0.72 -1.12 115.26 117.74 1xpu n ASN 120 Ca -0.19 -0.41 -0.23 0.00 -0.03 0.00 0.00 54.58 53.72 1xpu n ASN 120 Cb 0.52 -2.95 0.06 0.00 -0.61 0.00 0.00 39.78 36.80 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 -3.91 -2.29 -3.69 3.10 3.72 -1.26 -5.00 117.46 108.12 1xpu n PHE 121 Ca -0.01 0.92 -0.10 0.00 -0.05 0.00 0.00 57.45 58.21 1xpu n PHE 121 Cb 0.54 -4.62 -0.04 0.00 -0.94 0.00 0.00 39.48 34.42 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 -3.89 -0.28 -0.32 4.37 2.15 -0.27 -5.11 116.67 113.31 1xpu s ASP 122 Ca 0.28 -0.41 -0.40 0.00 0.43 0.00 0.00 52.55 52.45 1xpu s ASP 122 Cb -0.13 0.56 -0.15 0.00 -0.30 0.00 0.00 42.92 42.90 1xpu s ASP 122 CO 0.78 -1.01 1.83 0.29 -0.17 0.00 0.00 175.17 176.88 1xpu n LYS 123 N -0.33 1.01 0.00 4.34 4.76 -1.26 -2.71 118.16 123.97 1xpu n LYS 123 Ca -0.12 0.36 0.00 0.00 -2.87 0.00 0.00 58.31 55.68 1xpu n LYS 123 Cb 0.63 -2.08 0.00 0.00 -1.84 0.00 0.00 35.03 31.74 1xpu n LYS 123 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1xpu n PRO 124 N 5.85 0.00 0.00 1.97 -0.02 -1.26 -1.57 135.00 139.96 1xpu n PRO 124 Ca 0.31 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.90 1xpu n PRO 124 Cb 0.12 -1.36 0.01 0.00 -0.02 0.00 0.00 33.50 32.25 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 -0.83 1.23 -4.25 -0.52 -0.58 -1.26 -4.85 120.64 109.59 1xpu n GLU 125 Ca 0.00 -1.02 -0.24 0.00 -0.42 0.00 0.00 57.16 55.49 1xpu n GLU 125 Cb 0.00 -1.48 -0.07 0.00 -0.57 0.00 0.00 31.44 29.32 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 -2.47 4.76 0.00 1.62 0.01 -0.61 -5.09 114.94 113.16 1xpu s ASN 126 Ca 0.19 -0.53 0.00 0.00 -0.71 0.00 0.00 52.86 51.81 1xpu s ASN 126 Cb 0.18 -0.98 0.00 0.00 0.41 0.00 0.00 41.25 40.87 1xpu s ASN 126 CO 0.56 0.01 0.00 0.59 -1.51 0.00 0.00 177.10 176.76 1xpu n ASN 129 N -0.78 0.00 -4.66 -1.22 3.02 -1.26 -5.07 115.26 105.29 1xpu n ASN 129 Ca -0.07 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.05 1xpu n ASN 129 Cb 0.58 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.72 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 -1.60 4.17 0.66 3.52 1.02 -1.26 -4.95 119.74 121.29 1xpu s LYS 130 Ca 0.00 2.34 -0.17 0.00 0.02 0.00 0.00 55.97 58.16 1xpu s LYS 130 Cb 0.00 -4.00 -0.00 0.00 -0.52 0.00 0.00 37.83 33.30 1xpu s LYS 130 CO 0.00 -0.87 1.24 -1.50 -0.92 0.00 0.00 175.35 173.30 1xpu s ILE 131 N 4.03 2.31 0.55 2.17 2.07 -1.26 -4.82 121.20 126.25 1xpu s ILE 131 Ca 0.78 0.18 0.27 0.00 -1.41 0.00 0.00 60.65 60.48 1xpu s ILE 131 Cb -0.37 -2.97 0.41 0.00 0.13 0.00 0.00 42.46 39.66 1xpu s ILE 131 CO 0.34 -0.05 1.97 0.25 -1.91 0.00 0.00 174.94 175.53 1xpu h LEU 132 N 0.40 0.00 -0.30 8.50 5.85 -1.92 -2.52 115.31 125.31 1xpu h LEU 132 Ca -0.50 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1xpu h LEU 132 Cb 1.31 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.34 1xpu h LEU 132 CO 0.53 0.00 0.00 0.49 -0.34 0.00 0.00 178.44 179.12 1xpu n PHE 133 N -4.16 0.44 -0.07 1.25 3.72 -1.26 -2.53 117.46 114.86 1xpu n PHE 133 Ca 0.10 0.16 0.00 0.00 -0.05 0.00 0.00 57.45 57.67 1xpu n PHE 133 Cb 0.66 -0.77 0.00 0.00 -0.94 0.00 0.00 39.48 38.43 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 -1.90 -0.58 -1.89 -1.08 0.00 -0.96 -5.03 120.64 109.21 1xpu n GLU 134 Ca 0.03 -0.44 -0.41 0.00 0.00 0.00 0.00 57.16 56.34 1xpu n GLU 134 Cb 0.24 -0.94 -0.02 0.00 0.00 0.00 0.00 31.44 30.72 1xpu n GLU 134 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 1xpu s ASN 135 N -0.04 6.50 0.63 -1.84 -0.87 -1.05 -4.96 114.94 113.30 1xpu s ASN 135 Ca 0.00 2.84 -0.17 0.00 -1.57 0.00 0.00 52.86 53.96 1xpu s ASN 135 Cb 0.00 -2.64 -0.02 0.00 -0.02 0.00 0.00 41.25 38.58 1xpu s ASN 135 CO 0.00 -0.80 1.19 -0.76 -2.57 0.00 0.00 177.10 174.15 1xpu s LEU 136 N -0.79 3.56 -0.65 0.60 1.43 -1.26 -4.96 118.68 116.62 1xpu s LEU 136 Ca 0.59 2.31 0.05 0.00 -1.03 0.00 0.00 54.13 56.05 1xpu s LEU 136 Cb -0.45 -4.59 0.17 0.00 0.03 0.00 0.00 46.19 41.36 1xpu s LEU 136 CO 0.49 -1.71 0.47 0.41 0.23 0.00 0.00 176.35 176.24 1xpu n THR 137 N -1.93 1.07 -2.15 5.49 -1.04 -1.26 -3.35 114.28 111.11 1xpu n THR 137 Ca 0.13 -4.59 -0.27 0.00 -2.04 0.00 0.00 64.05 57.28 1xpu n THR 137 Cb 0.50 -2.08 0.11 0.00 -1.82 0.00 0.00 70.33 67.05 1xpu n THR 137 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1xpu s PRO 138 N -1.20 1.60 0.00 -2.82 0.04 -1.24 -4.92 135.00 126.46 1xpu s PRO 138 Ca 0.27 -0.41 0.00 0.00 0.04 0.00 0.00 61.00 60.90 1xpu s PRO 138 Cb -0.02 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.45 1xpu s PRO 138 CO -0.17 -1.68 0.21 1.28 0.04 0.00 0.00 177.00 176.68 1xpu n LEU 139 N -3.21 0.18 0.00 -3.56 4.77 -1.26 -4.26 117.00 109.66 1xpu n LEU 139 Ca 0.11 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1xpu n LEU 139 Cb 0.60 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1xpu n LEU 139 CO 0.49 0.05 0.00 0.00 -1.33 0.00 0.00 177.39 176.60 1xpu n HIS 140 N 0.02 0.00 0.82 -1.77 1.44 -1.26 -4.68 115.22 109.79 1xpu n HIS 140 Ca 0.00 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.84 1xpu n HIS 140 Cb 0.05 -1.18 0.33 0.00 0.12 0.00 0.00 29.99 29.30 1xpu n HIS 140 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1xpu n ALA 141 N 0.77 2.92 -1.81 1.59 0.00 -1.26 -3.92 120.51 118.79 1xpu n ALA 141 Ca 0.00 -0.22 -0.33 0.00 0.00 0.00 0.00 53.44 52.89 1xpu n ALA 141 Cb 0.14 -1.26 -0.06 0.00 0.00 0.00 0.00 19.45 18.27 1xpu n ALA 141 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1xpu s ASN 142 N -3.58 6.77 -0.13 0.00 2.20 -1.26 -1.90 114.94 117.03 1xpu s ASN 142 Ca 0.10 1.76 -0.02 0.00 -0.94 0.00 0.00 52.86 53.76 1xpu s ASN 142 Cb 0.16 -2.55 0.00 0.00 -2.00 0.00 0.00 41.25 36.87 1xpu s ASN 142 CO 0.66 -0.48 0.15 -0.24 -2.94 0.00 0.00 177.10 174.25 1xpu n SER 143 N -0.73 -3.38 -4.77 3.54 2.88 -1.26 -4.10 113.62 105.80 1xpu n SER 143 Ca 0.08 0.06 -0.38 0.00 -1.33 0.00 0.00 58.87 57.29 1xpu n SER 143 Cb 0.54 -2.02 -0.02 0.00 -0.75 0.00 0.00 64.21 61.95 1xpu n SER 143 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 1xpu s ARG 144 N -2.12 4.14 -0.40 -1.46 6.06 -1.26 -1.48 118.95 122.43 1xpu s ARG 144 Ca 0.03 1.84 -0.06 0.00 -2.50 0.00 0.00 55.73 55.04 1xpu s ARG 144 Cb -0.01 -2.75 0.09 0.00 0.06 0.00 0.00 34.95 32.34 1xpu s ARG 144 CO 0.18 -0.25 0.21 -0.51 -2.50 0.00 0.00 175.30 172.43 1xpu s LEU 145 N -2.35 5.02 0.13 -0.88 1.02 0.84 -4.89 118.68 117.57 1xpu s LEU 145 Ca 0.55 -1.65 -0.29 0.00 0.02 0.00 0.00 54.13 52.76 1xpu s LEU 145 Cb -0.31 -1.90 -0.06 0.00 0.02 0.00 0.00 46.19 43.94 1xpu s LEU 145 CO 0.39 -0.51 0.93 -0.60 0.02 0.00 0.00 176.35 176.59 1xpu s ARG 146 N 1.31 4.70 -0.28 1.70 3.52 -1.26 -4.19 118.95 124.45 1xpu s ARG 146 Ca 0.03 1.41 -0.11 0.00 -0.13 0.00 0.00 55.73 56.94 1xpu s ARG 146 Cb -0.23 -3.36 -0.05 0.00 -1.56 0.00 0.00 34.95 29.76 1xpu s ARG 146 CO -0.00 0.28 0.18 -1.64 -0.81 0.00 0.00 175.30 173.31 1xpu s MET 147 N -0.24 3.93 -0.72 5.12 -1.94 -1.26 -4.96 119.30 119.24 1xpu s MET 147 Ca 0.45 -0.33 0.03 0.00 -1.71 0.00 0.00 55.69 54.13 1xpu s MET 147 Cb -0.23 -3.64 0.34 0.00 2.01 0.00 0.00 34.83 33.31 1xpu s MET 147 CO 0.29 -0.18 1.31 0.41 -0.01 0.00 0.00 175.02 176.85 1xpu n GLY 152 N 5.04 5.82 0.00 -0.03 0.00 -1.26 -4.84 105.19 109.92 1xpu n GLY 152 Ca -0.14 -2.70 0.00 0.00 0.00 0.00 0.00 46.02 43.18 1xpu n GLY 152 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xpu n SER 153 N -0.24 0.00 0.01 1.61 7.64 -1.26 -4.99 113.62 116.39 1xpu n SER 153 Ca 0.38 -0.07 0.11 0.00 1.01 0.00 0.00 58.87 60.30 1xpu n SER 153 Cb 0.37 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.45 1xpu n SER 153 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1xpu n THR 154 N -0.14 0.12 0.14 0.44 -2.24 -1.26 -3.97 114.28 107.37 1xpu n THR 154 Ca 0.00 -0.45 0.02 0.00 -2.27 0.00 0.00 64.05 61.35 1xpu n THR 154 Cb 0.00 0.04 0.04 0.00 -2.10 0.00 0.00 70.33 68.31 1xpu n THR 154 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1xpu h GLU 155 N 0.00 0.00 0.00 -0.78 3.07 -2.03 -3.08 114.58 111.76 1xpu h GLU 155 Ca 0.00 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1xpu h GLU 155 Cb 0.94 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.85 1xpu h GLU 155 CO 0.00 0.54 -0.05 0.22 -1.40 0.00 0.00 179.01 178.32 1xpu h ASP 156 N 0.00 0.00 -0.13 1.42 3.58 -1.95 -2.92 116.42 116.42 1xpu h ASP 156 Ca -0.01 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.48 1xpu h ASP 156 Cb 1.38 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.39 1xpu h ASP 156 CO 0.07 0.05 -0.10 -0.07 -2.88 0.00 0.00 179.24 176.31 1xpu h LEU 157 N 0.00 -0.31 0.15 2.28 3.38 -1.70 -0.43 115.31 118.69 1xpu h LEU 157 Ca -0.00 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1xpu h LEU 157 Cb 0.17 0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1xpu h LEU 157 CO 0.01 -0.13 -0.07 0.74 0.09 0.00 0.00 178.44 179.08 1xpu h THR 158 N -0.10 0.86 -0.12 0.22 2.02 -1.71 -1.26 112.91 112.82 1xpu h THR 158 Ca 0.08 -0.01 0.04 0.00 0.77 0.00 0.00 66.41 67.29 1xpu h THR 158 Cb 0.23 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1xpu h THR 158 CO -0.20 0.00 0.17 0.00 0.37 0.00 0.00 175.52 175.86 1xpu h ALA 159 N 0.65 1.62 0.14 6.16 0.00 -1.49 0.11 119.26 126.45 1xpu h ALA 159 Ca -0.02 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.53 1xpu h ALA 159 Cb 0.15 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1xpu h ALA 159 CO 0.03 -0.23 -1.88 0.00 0.00 0.00 0.00 179.25 177.18 1xpu h ARG 160 N 0.00 0.30 -0.59 0.00 3.08 -0.69 -1.88 114.38 114.60 1xpu h ARG 160 Ca 0.06 -0.50 0.03 0.00 0.07 0.00 0.00 59.98 59.63 1xpu h ARG 160 Cb 0.39 0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.59 1xpu h ARG 160 CO -0.00 1.21 0.35 0.28 -1.07 0.00 0.00 179.97 180.74 1xpu h VAL 161 N 0.08 1.05 -0.46 2.04 2.07 -0.65 -2.62 116.25 117.77 1xpu h VAL 161 Ca -0.38 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 1xpu h VAL 161 Cb 2.06 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 1xpu h VAL 161 CO 0.12 0.13 0.24 0.25 0.02 0.00 0.00 177.57 178.33 1xpu h LEU 162 N 0.69 0.58 -0.97 2.57 6.46 -0.89 0.50 115.31 124.26 1xpu h LEU 162 Ca 0.24 -0.11 0.06 0.00 -0.12 0.00 0.00 57.88 57.95 1xpu h LEU 162 Cb 0.04 -0.15 -0.06 0.00 -0.73 0.00 0.00 40.66 39.76 1xpu h LEU 162 CO -0.11 0.52 0.62 0.44 -0.62 0.00 0.00 178.44 179.29 1xpu h ASP 163 N 0.60 1.00 0.44 1.25 3.45 -1.19 0.42 116.42 122.38 1xpu h ASP 163 Ca 0.16 0.01 -0.31 0.00 0.43 0.00 0.00 57.03 57.32 1xpu h ASP 163 Cb 0.08 -0.20 0.01 0.00 -0.56 0.00 0.00 39.33 38.66 1xpu h ASP 163 CO -0.02 0.64 -1.44 -0.07 -1.57 0.00 0.00 179.24 176.78 1xpu h LEU 164 N 1.14 0.55 0.23 1.55 3.38 -1.21 -3.29 115.31 117.65 1xpu h LEU 164 Ca 0.41 -0.64 -0.01 0.00 0.09 0.00 0.00 57.88 57.73 1xpu h LEU 164 Cb 0.14 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1xpu h LEU 164 CO -0.17 1.52 -0.11 0.00 0.09 0.00 0.00 178.44 179.77 1xpu h ALA 165 N 0.40 -0.42 -2.48 1.53 0.00 0.31 -3.44 119.26 115.16 1xpu h ALA 165 Ca -0.22 -0.07 -0.59 0.00 0.00 0.00 0.00 54.91 54.04 1xpu h ALA 165 Cb 2.05 0.12 -0.39 0.00 0.00 0.00 0.00 17.79 19.58 1xpu h ALA 165 CO 0.21 -0.40 -0.91 -1.54 0.00 0.00 0.00 179.25 176.61 1xpu s SER 166 N -4.24 2.12 0.66 0.00 1.04 0.14 -3.65 113.70 109.78 1xpu s SER 166 Ca -0.05 -2.79 -0.17 0.00 0.48 0.00 0.00 55.95 53.43 1xpu s SER 166 Cb 0.00 -0.48 -0.02 0.00 0.10 0.00 0.00 66.02 65.62 1xpu s SER 166 CO 0.14 -0.22 1.02 -0.81 0.98 0.00 0.00 173.24 174.35 1xpu n PRO 167 N 3.24 0.77 -4.84 4.02 -0.04 -1.20 -4.64 135.00 132.30 1xpu n PRO 167 Ca 0.23 0.31 -0.25 0.00 -0.04 0.00 0.00 63.50 63.75 1xpu n PRO 167 Cb 0.43 -2.26 -0.16 0.00 -0.04 0.00 0.00 33.50 31.48 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 -1.61 1.41 0.27 0.52 1.01 -1.26 -4.69 121.20 116.85 1xpu s ILE 168 Ca 0.77 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 60.68 1xpu s ILE 168 Cb -0.38 -1.19 0.00 0.00 0.01 0.00 0.00 42.46 40.90 1xpu s ILE 168 CO 0.47 0.40 0.01 0.61 0.00 0.00 0.00 174.94 176.43 1xpu n GLY 169 N 2.83 3.83 3.57 6.18 0.00 -1.26 -0.11 105.19 120.23 1xpu n GLY 169 Ca -0.16 -2.30 -0.43 0.00 0.00 0.00 0.00 46.02 43.13 1xpu n GLY 169 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xpu s ARG 170 N -2.99 3.58 0.00 1.61 3.52 -0.55 -3.26 118.95 120.85 1xpu s ARG 170 Ca 0.01 0.21 0.00 0.00 -0.13 0.00 0.00 55.73 55.82 1xpu s ARG 170 Cb -0.00 -3.91 0.00 0.00 -1.56 0.00 0.00 34.95 29.48 1xpu s ARG 170 CO 0.00 -1.17 0.00 0.41 -0.81 0.00 0.00 175.30 173.73 1xpu n GLY 171 N 4.85 1.33 3.86 8.12 0.00 -1.26 -4.33 105.19 117.76 1xpu n GLY 171 Ca 0.06 -0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.34 3.78 -0.55 1.61 -1.52 -1.20 -2.87 119.66 118.57 1xpu s GLN 172 Ca 0.00 0.75 0.04 0.00 -1.95 0.00 0.00 55.36 54.20 1xpu s GLN 172 Cb 0.00 -2.18 0.15 0.00 -0.22 0.00 0.00 33.01 30.76 1xpu s GLN 172 CO 0.00 -0.32 0.35 0.50 -0.25 0.00 0.00 175.29 175.57 1xpu s ARG 173 N -4.44 1.80 -0.00 2.91 3.52 -1.26 -0.38 118.95 121.11 1xpu s ARG 173 Ca 0.56 -2.64 -0.04 0.00 -0.13 0.00 0.00 55.73 53.48 1xpu s ARG 173 Cb -0.10 -2.80 -0.04 0.00 -1.56 0.00 0.00 34.95 30.44 1xpu s ARG 173 CO 0.40 -1.23 0.21 0.20 -0.81 0.00 0.00 175.30 174.07 1xpu s GLY 174 N -0.48 2.20 -0.36 8.12 0.00 -0.25 -1.15 107.32 115.39 1xpu s GLY 174 Ca 0.22 -0.71 0.04 0.00 0.00 0.00 0.00 44.72 44.28 1xpu s GLY 174 CO -0.09 -0.57 0.08 -2.27 0.00 0.00 0.00 173.10 170.25 1xpu s LEU 175 N -1.90 4.60 -0.61 0.66 2.96 -0.49 -1.82 118.68 122.09 1xpu s LEU 175 Ca 0.28 -2.25 -0.27 0.00 -0.22 0.00 0.00 54.13 51.67 1xpu s LEU 175 Cb -0.13 -1.60 0.01 0.00 0.50 0.00 0.00 46.19 44.97 1xpu s LEU 175 CO 0.18 -0.36 1.51 -0.63 -1.32 0.00 0.00 176.35 175.73 1xpu s ILE 176 N 0.78 3.64 -0.12 6.68 1.01 0.35 -2.67 121.20 130.87 1xpu s ILE 176 Ca 0.12 0.47 -0.27 0.00 0.00 0.00 0.00 60.65 60.97 1xpu s ILE 176 Cb -0.20 -4.40 -0.02 0.00 0.01 0.00 0.00 42.46 37.85 1xpu s ILE 176 CO -0.08 -1.25 0.89 -0.69 0.00 0.00 0.00 174.94 173.82 1xpu s VAL 177 N 6.81 4.86 -0.13 2.92 1.01 0.35 0.98 120.40 137.21 1xpu s VAL 177 Ca 0.53 1.79 -0.06 0.00 0.00 0.00 0.00 61.98 64.25 1xpu s VAL 177 Cb -0.11 -4.20 0.06 0.00 0.00 0.00 0.00 36.38 32.13 1xpu s VAL 177 CO 0.22 0.05 0.28 0.00 0.00 0.00 0.00 175.10 175.65 1xpu s ALA 178 N 1.87 -0.65 0.84 5.51 0.00 -0.91 -0.28 121.76 128.14 1xpu s ALA 178 Ca 0.43 1.06 -0.12 0.00 0.00 0.00 0.00 51.96 53.33 1xpu s ALA 178 Cb -0.18 -0.89 0.09 0.00 0.00 0.00 0.00 23.12 22.15 1xpu s ALA 178 CO 0.16 -0.45 1.10 -1.25 0.00 0.00 0.00 175.76 175.32 1xpu s PRO 179 N 1.91 1.75 0.30 0.00 0.04 -1.26 -1.87 135.00 135.87 1xpu s PRO 179 Ca -0.04 0.62 -0.30 0.00 0.04 0.00 0.00 61.00 61.32 1xpu s PRO 179 Cb -0.11 -1.88 -0.11 0.00 0.04 0.00 0.00 34.50 32.43 1xpu s PRO 179 CO -0.09 -1.85 1.59 -2.14 0.04 0.00 0.00 177.00 174.55 1xpu s PRO 180 N -5.13 4.12 -0.57 0.56 0.02 -1.25 -3.97 135.00 128.78 1xpu s PRO 180 Ca 0.62 2.58 -0.15 0.00 0.02 0.00 0.00 61.00 64.07 1xpu s PRO 180 Cb -0.15 -3.02 0.02 0.00 0.02 0.00 0.00 34.50 31.37 1xpu s PRO 180 CO 0.55 -0.63 0.64 1.63 -0.33 0.00 0.00 177.00 178.86 1xpu n LYS 181 N 2.06 -1.91 -0.05 5.54 5.02 -1.26 -4.97 118.16 122.59 1xpu n LYS 181 Ca 0.08 1.63 0.00 0.00 -2.02 0.00 0.00 58.31 58.00 1xpu n LYS 181 Cb 0.37 -4.45 0.00 0.00 -0.02 0.00 0.00 35.03 30.94 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 -0.97 1.10 -1.38 7.82 0.00 -1.25 -4.95 120.51 120.88 1xpu n ALA 182 Ca -0.02 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1xpu n ALA 182 Cb 0.55 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 0.66 0.12 0.00 0.00 -1.26 -4.58 105.19 100.12 1xpu n GLY 183 Ca 0.00 -0.35 -0.21 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.37 1.61 3.64 -1.96 -3.15 116.57 116.48 1xpu h LYS 184 Ca 0.00 -0.23 -0.05 0.00 -1.27 0.00 0.00 60.65 59.09 1xpu h LYS 184 Cb 0.63 0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.52 1xpu h LYS 184 CO 0.00 1.11 0.02 1.15 -2.27 0.00 0.00 179.45 179.46 1xpu h THR 185 N -0.55 1.25 -0.09 1.00 2.02 -2.00 -2.69 112.91 111.85 1xpu h THR 185 Ca -0.33 -0.95 -0.09 0.00 0.77 0.00 0.00 66.41 65.81 1xpu h THR 185 Cb 1.59 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 69.13 1xpu h THR 185 CO -0.05 0.32 -0.37 0.24 0.37 0.00 0.00 175.52 176.03 1xpu h MET 186 N 0.46 0.19 -0.54 6.66 2.86 -1.99 -2.25 114.93 120.32 1xpu h MET 186 Ca 0.11 -0.08 -0.04 0.00 -2.06 0.00 0.00 59.70 57.63 1xpu h MET 186 Cb 0.44 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 1xpu h MET 186 CO 0.02 0.53 0.19 1.25 1.06 0.00 0.00 176.91 179.96 1xpu h LEU 187 N 0.16 0.77 -0.56 1.22 5.85 -1.49 -0.65 115.31 120.60 1xpu h LEU 187 Ca 0.02 -0.19 -0.12 0.00 0.84 0.00 0.00 57.88 58.43 1xpu h LEU 187 Cb 0.73 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.54 1xpu h LEU 187 CO 0.05 0.75 -0.17 -0.07 -0.34 0.00 0.00 178.44 178.66 1xpu h LEU 188 N 0.74 0.99 -1.11 2.25 3.38 -1.30 -1.90 115.31 118.36 1xpu h LEU 188 Ca 0.18 -0.35 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 1xpu h LEU 188 Cb 0.24 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1xpu h LEU 188 CO -0.01 1.13 -0.10 1.56 0.09 0.00 0.00 178.44 181.11 1xpu h GLN 189 N 0.85 0.51 -0.45 1.13 4.20 -1.30 0.13 115.11 120.18 1xpu h GLN 189 Ca 0.12 -0.14 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1xpu h GLN 189 Cb 0.73 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 1xpu h GLN 189 CO 0.06 0.61 0.21 -0.97 -0.67 0.00 0.00 178.83 178.07 1xpu h ASN 190 N 0.48 0.60 -0.60 1.46 -0.73 -0.87 -2.37 115.58 113.55 1xpu h ASN 190 Ca 0.09 -0.13 -0.09 0.00 1.87 0.00 0.00 56.30 58.04 1xpu h ASN 190 Cb 0.46 -0.15 -0.02 0.00 0.27 0.00 0.00 38.32 38.88 1xpu h ASN 190 CO 0.03 0.56 0.05 0.40 -0.37 0.00 0.00 177.43 178.10 1xpu h ILE 191 N 0.59 1.26 -0.54 2.57 1.08 -0.91 -1.24 117.51 120.32 1xpu h ILE 191 Ca 0.15 -1.08 0.09 0.00 -0.39 0.00 0.00 64.86 63.63 1xpu h ILE 191 Cb 0.13 0.73 -0.07 0.00 -3.07 0.00 0.00 36.82 34.54 1xpu h ILE 191 CO -0.02 0.40 0.16 0.00 -0.69 0.00 0.00 178.15 178.00 1xpu h ALA 192 N 1.07 0.66 0.11 1.87 0.00 -0.50 0.43 119.26 122.91 1xpu h ALA 192 Ca 0.18 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.18 1xpu h ALA 192 Cb 0.49 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1xpu h ALA 192 CO 0.02 -0.25 -0.05 1.96 0.00 0.00 0.00 179.25 180.92 1xpu h GLN 193 N 0.32 -0.15 0.00 0.00 4.20 -1.34 -0.56 115.11 117.58 1xpu h GLN 193 Ca 0.27 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.99 1xpu h GLN 193 Cb 0.35 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1xpu h GLN 193 CO -0.31 0.14 0.00 0.45 -0.67 0.00 0.00 178.83 178.44 1xpu n SER 194 N -5.03 0.50 -0.10 1.46 2.88 -0.48 0.12 113.62 112.97 1xpu n SER 194 Ca -0.09 0.70 -0.12 0.00 -1.33 0.00 0.00 58.87 58.04 1xpu n SER 194 Cb 0.19 -0.78 -0.15 0.00 -0.75 0.00 0.00 64.21 62.72 1xpu n SER 194 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1xpu n ILE 195 N -2.14 1.44 0.06 2.46 2.08 0.15 -3.63 119.36 119.78 1xpu n ILE 195 Ca -0.00 -0.79 -0.20 0.00 0.56 0.00 0.00 62.75 62.31 1xpu n ILE 195 Cb 0.07 -0.74 -0.15 0.00 -0.75 0.00 0.00 39.64 38.07 1xpu n ILE 195 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1xpu h ALA 196 N 0.77 -0.10 0.19 -1.39 0.00 0.66 -2.51 119.26 116.88 1xpu h ALA 196 Ca -0.53 -0.72 -0.01 0.00 0.00 0.00 0.00 54.91 53.66 1xpu h ALA 196 Cb 2.15 0.11 0.00 0.00 0.00 0.00 0.00 17.79 20.05 1xpu h ALA 196 CO 0.01 0.41 -0.09 -0.92 0.00 0.00 0.00 179.25 178.66 1xpu h TYR 197 N -0.33 -0.23 0.18 0.00 3.20 0.68 -3.33 116.97 117.14 1xpu h TYR 197 Ca -0.15 -0.01 -0.31 0.00 3.14 0.00 0.00 58.73 61.40 1xpu h TYR 197 Cb 1.69 0.08 0.03 0.00 1.54 0.00 0.00 36.73 40.07 1xpu h TYR 197 CO 0.19 0.18 -1.34 -0.91 -1.64 0.00 0.00 178.16 174.63 1xpu h ASN 198 N -0.87 0.80 -2.15 -2.11 4.21 -1.68 -3.40 115.58 110.37 1xpu h ASN 198 Ca -0.03 -0.80 -0.57 0.00 1.21 0.00 0.00 56.30 56.12 1xpu h ASN 198 Cb 0.51 -0.26 -0.41 0.00 -1.12 0.00 0.00 38.32 37.05 1xpu h ASN 198 CO 0.04 1.61 -0.81 1.41 -1.29 0.00 0.00 177.43 178.40 1xpu n HIS 199 N -3.72 2.42 1.58 1.19 8.25 -0.95 -4.90 115.22 119.09 1xpu n HIS 199 Ca -0.14 -3.94 0.10 0.00 -0.26 0.00 0.00 57.72 53.48 1xpu n HIS 199 Cb 1.04 -0.48 0.60 0.00 1.12 0.00 0.00 29.99 32.28 1xpu n HIS 199 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1xpu n PRO 200 N 0.54 0.79 0.09 -0.41 -0.04 -1.22 -2.92 135.00 131.82 1xpu n PRO 200 Ca 0.28 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.57 1xpu n PRO 200 Cb 0.47 -1.40 -0.09 0.00 -0.04 0.00 0.00 33.50 32.43 1xpu n PRO 200 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 1xpu h ASP 201 N 0.00 0.59 -4.05 3.54 2.03 -1.90 -3.46 116.42 113.17 1xpu h ASP 201 Ca 0.00 -0.53 -0.46 0.00 -0.73 0.00 0.00 57.03 55.31 1xpu h ASP 201 Cb 0.00 -0.18 0.00 0.00 -0.83 0.00 0.00 39.33 38.32 1xpu h ASP 201 CO 0.00 1.36 0.36 0.00 -1.03 0.00 0.00 179.24 179.93 1xpu s VAL 203 N -2.04 4.92 -0.22 0.00 1.01 0.00 -4.94 120.40 119.13 1xpu s VAL 203 Ca 0.63 1.65 -0.09 0.00 0.00 0.00 0.00 61.98 64.17 1xpu s VAL 203 Cb -0.13 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.06 1xpu s VAL 203 CO 0.17 0.10 0.12 -0.22 0.00 0.00 0.00 175.10 175.26 1xpu s LEU 204 N 1.68 3.92 -0.22 3.92 2.96 -1.26 0.34 118.68 130.02 1xpu s LEU 204 Ca 0.40 0.06 0.01 0.00 -0.22 0.00 0.00 54.13 54.37 1xpu s LEU 204 Cb -0.17 -2.03 0.06 0.00 0.50 0.00 0.00 46.19 44.54 1xpu s LEU 204 CO 0.16 0.09 -0.06 -0.04 -1.32 0.00 0.00 176.35 175.17 1xpu s MET 205 N 0.92 1.66 -0.27 1.98 -1.94 0.28 -1.75 119.30 120.17 1xpu s MET 205 Ca 0.06 -0.92 -0.13 0.00 -1.71 0.00 0.00 55.69 52.99 1xpu s MET 205 Cb -0.13 -2.51 -0.04 0.00 2.01 0.00 0.00 34.83 34.16 1xpu s MET 205 CO 0.03 -0.56 0.29 0.08 -0.01 0.00 0.00 175.02 174.85 1xpu s VAL 206 N 1.42 5.24 -0.28 -6.03 1.01 1.00 -0.43 120.40 122.33 1xpu s VAL 206 Ca -0.05 0.39 -0.03 0.00 0.00 0.00 0.00 61.98 62.29 1xpu s VAL 206 Cb -0.18 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.61 1xpu s VAL 206 CO -0.07 0.21 -0.01 -0.22 0.00 0.00 0.00 175.10 175.01 1xpu s LEU 207 N 1.89 3.58 -0.35 3.92 2.96 0.76 0.11 118.68 131.54 1xpu s LEU 207 Ca 0.11 -1.00 -0.08 0.00 -0.22 0.00 0.00 54.13 52.95 1xpu s LEU 207 Cb -0.16 -1.72 0.04 0.00 0.50 0.00 0.00 46.19 44.85 1xpu s LEU 207 CO 0.10 -0.19 0.14 -0.76 -1.32 0.00 0.00 176.35 174.32 1xpu s LEU 208 N 1.33 4.47 0.01 -0.68 1.43 0.43 -0.05 118.68 125.61 1xpu s LEU 208 Ca -0.01 -1.09 -0.04 0.00 -1.03 0.00 0.00 54.13 51.95 1xpu s LEU 208 Cb -0.18 -1.92 -0.28 0.00 0.03 0.00 0.00 46.19 43.83 1xpu s LEU 208 CO -0.02 -0.35 0.87 0.40 0.23 0.00 0.00 176.35 177.48 1xpu h ILE 209 N 6.07 1.17 0.00 -0.59 1.08 -1.79 -0.78 117.51 122.67 1xpu h ILE 209 Ca -0.24 -2.79 -0.12 0.00 -0.39 0.00 0.00 64.86 61.32 1xpu h ILE 209 Cb 1.09 2.79 -0.27 0.00 -3.07 0.00 0.00 36.82 37.36 1xpu h ILE 209 CO 0.63 0.83 -0.86 -0.67 -0.69 0.00 0.00 178.15 177.39 1xpu n ASP 210 N -3.48 0.87 -4.75 1.72 4.64 -1.18 -4.30 116.55 110.05 1xpu n ASP 210 Ca -0.16 -2.17 -0.32 0.00 -1.38 0.00 0.00 54.79 50.76 1xpu n ASP 210 Cb 1.05 -0.30 0.09 0.00 -1.04 0.00 0.00 41.12 40.92 1xpu n ASP 210 CO 0.00 0.00 0.00 -1.61 -0.82 0.00 0.00 177.20 174.77 1xpu s GLU 211 N -0.31 2.22 0.18 -0.67 0.41 -1.04 -3.69 118.70 115.80 1xpu s GLU 211 Ca 0.27 1.30 -0.30 0.00 -0.41 0.00 0.00 54.97 55.82 1xpu s GLU 211 Cb 0.30 -1.88 -0.08 0.00 -1.78 0.00 0.00 34.13 30.69 1xpu s GLU 211 CO -0.12 -1.69 1.11 1.03 -0.49 0.00 0.00 175.26 175.10 1xpu s ARG 212 N -4.64 4.58 0.49 1.61 0.52 -1.26 -1.98 118.95 118.27 1xpu s ARG 212 Ca 0.64 1.75 0.30 0.00 -0.52 0.00 0.00 55.73 57.90 1xpu s ARG 212 Cb -0.19 -3.27 1.40 0.00 0.52 0.00 0.00 34.95 33.41 1xpu s ARG 212 CO 0.52 0.06 1.78 -1.35 0.02 0.00 0.00 175.30 176.34 1xpu h PRO 213 N 5.04 0.13 0.11 3.54 0.11 -1.97 0.12 132.00 139.09 1xpu h PRO 213 Ca -0.44 -0.01 -0.27 0.00 0.11 0.00 0.00 66.00 65.39 1xpu h PRO 213 Cb 1.21 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1xpu h PRO 213 CO 0.72 0.09 -1.20 1.05 -0.21 0.00 0.00 178.00 178.45 1xpu h GLU 214 N 0.14 0.28 0.00 1.05 9.09 -2.01 -3.13 114.58 120.01 1xpu h GLU 214 Ca 0.59 -0.45 0.00 0.00 0.05 0.00 0.00 59.36 59.55 1xpu h GLU 214 Cb 2.03 0.16 0.00 0.00 -1.65 0.00 0.00 28.75 29.29 1xpu h GLU 214 CO -0.13 1.20 0.00 1.49 0.05 0.00 0.00 179.01 181.62 1xpu h GLU 215 N 0.09 0.00 0.23 1.06 4.57 -1.17 -2.81 114.58 116.55 1xpu h GLU 215 Ca -0.12 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.04 1xpu h GLU 215 Cb 1.91 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.51 1xpu h GLU 215 CO 0.20 0.00 -0.11 0.28 -1.18 0.00 0.00 179.01 178.20 1xpu h VAL 216 N 0.00 0.30 0.00 0.32 2.07 -1.35 -3.08 116.25 114.51 1xpu h VAL 216 Ca 0.00 -0.91 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 1xpu h VAL 216 Cb 0.34 0.52 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1xpu h VAL 216 CO 0.00 0.08 -0.10 0.71 0.02 0.00 0.00 177.57 178.28 1xpu h THR 217 N -1.03 0.58 -0.06 2.57 1.35 -1.53 0.54 112.91 115.33 1xpu h THR 217 Ca -0.03 -0.45 -0.01 0.00 -0.55 0.00 0.00 66.41 65.36 1xpu h THR 217 Cb 0.38 1.29 -0.00 0.00 -1.73 0.00 0.00 68.15 68.08 1xpu h THR 217 CO 0.05 0.10 -0.01 -0.08 -0.25 0.00 0.00 175.52 175.33 1xpu h GLU 218 N 0.00 0.12 -0.36 4.72 4.81 -1.63 -3.06 114.58 119.18 1xpu h GLU 218 Ca -0.00 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.05 1xpu h GLU 218 Cb 0.28 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1xpu h GLU 218 CO 0.01 0.45 -0.31 1.98 -0.73 0.00 0.00 179.01 180.42 1xpu h MET 219 N -0.22 0.78 0.00 1.92 4.05 -1.20 -2.58 114.93 117.69 1xpu h MET 219 Ca 0.02 -0.36 0.00 0.00 -0.28 0.00 0.00 59.70 59.08 1xpu h MET 219 Cb 0.41 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.19 1xpu h MET 219 CO 0.01 0.99 0.00 0.37 0.23 0.00 0.00 176.91 178.50 1xpu h GLN 220 N 0.66 0.00 0.00 0.39 4.15 0.01 -2.92 115.11 117.41 1xpu h GLN 220 Ca 0.07 0.00 -0.42 0.00 0.77 0.00 0.00 58.65 59.08 1xpu h GLN 220 Cb 0.84 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 28.47 1xpu h GLN 220 CO 0.07 0.00 -2.44 0.54 -1.93 0.00 0.00 178.83 175.08 1xpu n ARG 221 N -2.64 0.57 0.00 1.69 1.74 -1.10 -4.55 116.66 112.37 1xpu n ARG 221 Ca -0.02 0.21 0.07 0.00 -0.77 0.00 0.00 57.85 57.34 1xpu n ARG 221 Cb 0.05 -1.44 0.42 0.00 -1.02 0.00 0.00 32.46 30.47 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 -3.88 0.00 -4.20 0.55 4.77 -0.99 -4.71 117.00 108.54 1xpu n LEU 222 Ca -0.49 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.16 1xpu n LEU 222 Cb 0.89 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.83 1xpu n LEU 222 CO 0.09 0.00 -0.49 -0.69 -1.33 0.00 0.00 177.39 174.97 1xpu s VAL 223 N -2.00 2.46 -1.07 4.08 1.01 -1.11 -4.74 120.40 119.02 1xpu s VAL 223 Ca 0.21 -0.82 -0.16 0.00 0.00 0.00 0.00 61.98 61.22 1xpu s VAL 223 Cb 0.10 -2.05 0.16 0.00 0.00 0.00 0.00 36.38 34.59 1xpu s VAL 223 CO 0.16 0.51 1.27 -0.75 0.00 0.00 0.00 175.10 176.30 1xpu s LYS 224 N 1.09 3.87 0.00 2.72 2.20 -1.26 -4.86 119.74 123.50 1xpu s LYS 224 Ca -0.00 -2.24 0.00 0.00 -0.36 0.00 0.00 55.97 53.37 1xpu s LYS 224 Cb -0.14 -4.97 0.00 0.00 -1.51 0.00 0.00 37.83 31.21 1xpu s LYS 224 CO -0.06 -1.74 0.00 0.41 -0.36 0.00 0.00 175.35 173.60 1xpu n GLY 225 N 4.68 -0.61 3.40 5.54 0.00 -1.26 -4.82 105.19 112.11 1xpu n GLY 225 Ca 0.30 -0.63 -0.40 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.72 2.92 -0.44 1.61 2.12 -0.72 -5.01 118.70 118.47 1xpu s GLU 226 Ca 0.00 -1.02 -0.16 0.00 0.36 0.00 0.00 54.97 54.16 1xpu s GLU 226 Cb 0.00 -3.73 0.04 0.00 0.26 0.00 0.00 34.13 30.69 1xpu s GLU 226 CO 0.00 -0.66 0.38 0.08 -0.54 0.00 0.00 175.26 174.52 1xpu s VAL 227 N 1.58 5.19 -0.18 3.70 1.01 -1.26 -0.00 120.40 130.44 1xpu s VAL 227 Ca 0.03 -0.69 -0.04 0.00 0.00 0.00 0.00 61.98 61.27 1xpu s VAL 227 Cb -0.19 -4.03 -0.03 0.00 0.00 0.00 0.00 36.38 32.13 1xpu s VAL 227 CO 0.07 -0.44 -0.02 -0.69 0.00 0.00 0.00 175.10 174.02 1xpu s VAL 228 N 1.83 3.91 -0.07 2.92 1.01 0.12 -4.88 120.40 125.24 1xpu s VAL 228 Ca 0.07 -0.34 -0.06 0.00 0.00 0.00 0.00 61.98 61.65 1xpu s VAL 228 Cb -0.20 -2.74 0.02 0.00 0.00 0.00 0.00 36.38 33.46 1xpu s VAL 228 CO 0.10 0.46 0.18 0.00 0.00 0.00 0.00 175.10 175.85 1xpu s ALA 229 N 0.68 -0.45 -0.12 5.51 0.00 -1.26 -0.43 121.76 125.70 1xpu s ALA 229 Ca -0.01 0.56 0.01 0.00 0.00 0.00 0.00 51.96 52.52 1xpu s ALA 229 Cb -0.14 -0.33 -0.01 0.00 0.00 0.00 0.00 23.12 22.63 1xpu s ALA 229 CO 0.02 -0.10 -0.17 -1.54 0.00 0.00 0.00 175.76 173.98 1xpu s SER 230 N 0.25 3.71 0.62 0.00 1.04 -0.30 -4.79 113.70 114.24 1xpu s SER 230 Ca -0.01 -0.40 -0.09 0.00 0.48 0.00 0.00 55.95 55.93 1xpu s SER 230 Cb -0.03 -1.50 -0.01 0.00 0.10 0.00 0.00 66.02 64.58 1xpu s SER 230 CO -0.01 0.17 0.98 0.42 0.98 0.00 0.00 173.24 175.79 1xpu s THR 231 N 0.29 4.00 0.33 2.02 -4.23 -1.26 -2.51 115.64 114.28 1xpu s THR 231 Ca -0.12 0.39 0.31 0.00 -1.18 0.00 0.00 61.69 61.09 1xpu s THR 231 Cb -0.16 -3.61 0.34 0.00 1.34 0.00 0.00 72.50 70.40 1xpu s THR 231 CO 0.06 -0.73 2.06 2.19 -0.54 0.00 0.00 174.62 177.67 1xpu h PHE 232 N -0.32 0.00 -0.28 3.99 -5.15 -1.47 -2.63 116.94 111.07 1xpu h PHE 232 Ca -0.45 0.00 -0.05 0.00 -0.20 0.00 0.00 57.97 57.27 1xpu h PHE 232 Cb 1.23 0.00 -0.03 0.00 0.22 0.00 0.00 35.95 37.37 1xpu h PHE 232 CO 0.54 0.08 0.07 -0.40 -2.00 0.00 0.00 178.31 176.60 1xpu n ASP 233 N -3.36 3.07 -4.58 -0.68 3.85 -1.26 -4.85 116.55 108.74 1xpu n ASP 233 Ca -0.01 -2.46 -0.27 0.00 -0.71 0.00 0.00 54.79 51.34 1xpu n ASP 233 Cb 0.26 -0.59 -0.09 0.00 -1.35 0.00 0.00 41.12 39.34 1xpu n ASP 233 CO 0.00 0.00 0.00 -1.61 -1.01 0.00 0.00 177.20 174.58 1xpu s GLU 234 N -1.65 2.10 0.91 0.11 2.02 -0.99 -5.12 118.70 116.07 1xpu s GLU 234 Ca 0.23 -1.24 -0.10 0.00 0.02 0.00 0.00 54.97 53.88 1xpu s GLU 234 Cb 0.18 -2.19 0.14 0.00 0.10 0.00 0.00 34.13 32.36 1xpu s GLU 234 CO 0.06 0.44 1.15 -1.25 0.02 0.00 0.00 175.26 175.68 1xpu s PRO 235 N -2.82 1.06 0.45 0.39 0.04 -1.26 -4.91 135.00 127.96 1xpu s PRO 235 Ca 0.25 1.55 0.17 0.00 0.04 0.00 0.00 61.00 63.02 1xpu s PRO 235 Cb -0.09 -1.73 1.04 0.00 0.04 0.00 0.00 34.50 33.76 1xpu s PRO 235 CO 0.15 -2.60 1.97 0.00 0.04 0.00 0.00 177.00 176.56 1xpu h ALA 236 N -1.82 1.50 -0.47 8.56 0.00 -1.97 -2.33 119.26 122.73 1xpu h ALA 236 Ca -0.43 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.27 1xpu h ALA 236 Cb 1.27 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1xpu h ALA 236 CO 0.42 0.27 0.22 0.66 0.00 0.00 0.00 179.25 180.82 1xpu h SER 237 N 0.00 0.58 -0.04 0.00 4.64 -1.91 -2.82 113.55 114.00 1xpu h SER 237 Ca -0.00 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 1xpu h SER 237 Cb 0.42 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1xpu h SER 237 CO 0.03 0.50 -0.01 -0.09 -0.87 0.00 0.00 176.83 176.39 1xpu h ARG 238 N 0.65 0.08 -0.53 4.77 9.65 -1.77 -1.26 114.38 125.97 1xpu h ARG 238 Ca 0.16 -0.03 0.10 0.00 -1.10 0.00 0.00 59.98 59.11 1xpu h ARG 238 Cb 0.08 -0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 28.57 1xpu h ARG 238 CO -0.02 0.41 0.08 0.45 2.80 0.00 0.00 179.97 183.69 1xpu h HIS 239 N -0.25 0.12 0.18 2.20 3.86 -1.53 0.49 115.15 120.22 1xpu h HIS 239 Ca 0.01 0.03 0.01 0.00 -1.16 0.00 0.00 60.37 59.27 1xpu h HIS 239 Cb 0.38 0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.85 1xpu h HIS 239 CO 0.05 -0.04 -0.24 0.28 0.86 0.00 0.00 177.93 178.83 1xpu h VAL 240 N 0.21 0.47 0.06 2.45 2.07 -1.46 -2.63 116.25 117.42 1xpu h VAL 240 Ca 0.27 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.82 1xpu h VAL 240 Cb 0.39 0.47 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1xpu h VAL 240 CO -0.38 0.00 -0.23 -0.61 0.02 0.00 0.00 177.57 176.37 1xpu h GLN 241 N -0.48 -0.38 -0.61 1.57 4.15 -0.30 -1.58 115.11 117.49 1xpu h GLN 241 Ca 0.01 0.03 0.12 0.00 0.77 0.00 0.00 58.65 59.58 1xpu h GLN 241 Cb 0.47 0.09 -0.09 0.00 0.21 0.00 0.00 27.48 28.16 1xpu h GLN 241 CO -0.10 -0.25 0.13 0.28 -1.93 0.00 0.00 178.83 176.96 1xpu h VAL 242 N -0.40 0.63 -0.70 2.39 2.07 -0.94 0.16 116.25 119.46 1xpu h VAL 242 Ca 0.04 -0.09 -0.06 0.00 0.82 0.00 0.00 66.70 67.41 1xpu h VAL 242 Cb 0.45 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1xpu h VAL 242 CO -0.17 0.05 0.19 0.00 0.02 0.00 0.00 177.57 177.66 1xpu h ALA 243 N 1.49 0.92 -0.10 1.67 0.00 -1.10 -2.74 119.26 119.41 1xpu h ALA 243 Ca 0.32 -0.23 -0.18 0.00 0.00 0.00 0.00 54.91 54.82 1xpu h ALA 243 Cb 0.49 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1xpu h ALA 243 CO -0.41 0.62 -0.69 0.93 0.00 0.00 0.00 179.25 179.70 1xpu h GLU 244 N 1.04 0.42 -0.17 0.00 5.08 -0.45 -2.53 114.58 117.97 1xpu h GLU 244 Ca 0.22 -0.32 -0.07 0.00 -1.00 0.00 0.00 59.36 58.19 1xpu h GLU 244 Cb 0.34 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.64 1xpu h GLU 244 CO -0.00 0.95 -0.21 1.98 -1.00 0.00 0.00 179.01 180.73 1xpu h MET 245 N 0.29 0.30 0.15 2.33 4.05 -0.92 -2.43 114.93 118.70 1xpu h MET 245 Ca -0.02 -0.09 -0.01 0.00 -0.28 0.00 0.00 59.70 59.30 1xpu h MET 245 Cb 1.25 -0.03 0.00 0.00 -0.80 0.00 0.00 31.60 32.02 1xpu h MET 245 CO 0.12 0.50 -0.07 0.28 0.23 0.00 0.00 176.91 177.96 1xpu h VAL 246 N 0.27 0.85 -0.08 -5.77 2.07 -1.38 -2.51 116.25 109.70 1xpu h VAL 246 Ca 0.05 -1.17 -0.03 0.00 0.82 0.00 0.00 66.70 66.37 1xpu h VAL 246 Cb 0.52 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1xpu h VAL 246 CO 0.03 0.23 -0.08 -0.29 0.02 0.00 0.00 177.57 177.48 1xpu h ILE 247 N -0.87 1.11 -0.01 4.57 6.09 -1.47 0.40 117.51 127.34 1xpu h ILE 247 Ca -0.02 -0.49 -0.13 0.00 -1.37 0.00 0.00 64.86 62.85 1xpu h ILE 247 Cb 0.53 1.14 0.01 0.00 0.47 0.00 0.00 36.82 38.97 1xpu h ILE 247 CO 0.03 0.15 -0.51 -0.33 -3.07 0.00 0.00 178.15 174.43 1xpu h GLU 248 N 0.12 0.36 -0.42 2.19 4.39 -1.55 0.57 114.58 120.26 1xpu h GLU 248 Ca 0.03 -0.38 0.01 0.00 0.34 0.00 0.00 59.36 59.37 1xpu h GLU 248 Cb 0.23 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 1xpu h GLU 248 CO 0.01 1.05 0.28 -0.22 -1.16 0.00 0.00 179.01 178.97 1xpu h LYS 249 N -0.18 0.50 -0.32 2.33 3.64 -1.02 -1.83 116.57 119.70 1xpu h LYS 249 Ca -0.06 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.13 1xpu h LYS 249 Cb 1.23 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 1xpu h LYS 249 CO 0.10 0.33 -0.45 0.00 -2.27 0.00 0.00 179.45 177.17 1xpu h ALA 250 N 1.75 0.60 -0.55 5.00 0.00 -0.12 -3.01 119.26 122.94 1xpu h ALA 250 Ca 0.16 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1xpu h ALA 250 Cb 0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1xpu h ALA 250 CO -0.04 0.68 0.21 0.87 0.00 0.00 0.00 179.25 180.97 1xpu h LYS 251 N 0.66 0.83 0.00 0.00 1.57 -0.19 -2.72 116.57 116.72 1xpu h LYS 251 Ca 0.04 -0.16 -0.08 0.00 -1.87 0.00 0.00 60.65 58.59 1xpu h LYS 251 Cb 1.03 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 1xpu h LYS 251 CO 0.10 0.73 -0.36 0.00 -0.57 0.00 0.00 179.45 179.35 1xpu h ARG 252 N 0.75 0.00 0.06 3.15 2.47 -1.39 -1.92 114.38 117.51 1xpu h ARG 252 Ca 0.18 0.00 -0.27 0.00 -1.26 0.00 0.00 59.98 58.63 1xpu h ARG 252 Cb 0.22 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.56 1xpu h ARG 252 CO -0.01 0.36 -1.12 -0.07 0.56 0.00 0.00 179.97 179.69 1xpu h LEU 253 N 0.00 0.70 -1.28 3.04 3.38 -1.40 -3.04 115.31 116.72 1xpu h LEU 253 Ca -0.00 -0.62 -0.02 0.00 0.09 0.00 0.00 57.88 57.32 1xpu h LEU 253 Cb 0.72 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1xpu h LEU 253 CO 0.05 1.44 -0.11 0.58 0.09 0.00 0.00 178.44 180.49 1xpu h VAL 254 N 0.25 0.27 0.00 1.22 2.07 -1.37 -1.54 116.25 117.15 1xpu h VAL 254 Ca -0.14 -0.80 0.00 0.00 0.82 0.00 0.00 66.70 66.58 1xpu h VAL 254 Cb 1.78 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 33.19 1xpu h VAL 254 CO 0.20 0.11 0.00 -0.33 0.02 0.00 0.00 177.57 177.57 1xpu h GLU 255 N 0.00 0.00 -0.64 1.57 5.08 -1.23 -1.38 114.58 117.97 1xpu h GLU 255 Ca -0.00 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.07 1xpu h GLU 255 Cb 0.63 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.71 1xpu h GLU 255 CO 0.01 0.00 0.25 0.72 -1.00 0.00 0.00 179.01 179.00 1xpu n HIS 256 N -2.44 2.04 -1.35 4.33 8.25 -0.61 -4.72 115.22 120.72 1xpu n HIS 256 Ca 0.01 -1.54 -0.12 0.00 -0.26 0.00 0.00 57.72 55.81 1xpu n HIS 256 Cb 0.19 -0.67 -0.05 0.00 1.12 0.00 0.00 29.99 30.58 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 -0.88 -1.35 -2.26 -0.41 4.01 -0.52 -4.99 118.16 111.76 1xpu n LYS 257 Ca 0.43 0.90 -0.31 0.00 -0.51 0.00 0.00 58.31 58.82 1xpu n LYS 257 Cb 1.32 -5.13 -0.01 0.00 -0.51 0.00 0.00 35.03 30.69 1xpu n LYS 257 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 1xpu s LYS 258 N -2.91 3.72 -0.33 1.97 1.02 -1.04 -3.29 119.74 118.88 1xpu s LYS 258 Ca 0.00 0.71 -0.11 0.00 0.02 0.00 0.00 55.97 56.58 1xpu s LYS 258 Cb 0.00 -2.18 -0.01 0.00 -0.52 0.00 0.00 37.83 35.12 1xpu s LYS 258 CO 0.00 -0.36 0.20 -0.51 -0.92 0.00 0.00 175.35 173.76 1xpu s ASP 259 N -3.69 5.84 -0.11 2.83 1.01 -1.26 -2.45 116.67 118.83 1xpu s ASP 259 Ca 0.55 -0.51 0.01 0.00 0.71 0.00 0.00 52.55 53.30 1xpu s ASP 259 Cb -0.10 -2.08 -0.02 0.00 1.01 0.00 0.00 42.92 41.73 1xpu s ASP 259 CO 0.43 -0.23 -0.14 -0.69 0.21 0.00 0.00 175.17 174.74 1xpu s VAL 260 N 1.67 2.99 -0.17 -1.27 1.01 -0.33 -0.82 120.40 123.48 1xpu s VAL 260 Ca 0.05 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 1xpu s VAL 260 Cb -0.17 -2.23 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 1xpu s VAL 260 CO 0.09 0.54 -0.09 -0.63 0.00 0.00 0.00 175.10 175.01 1xpu s ILE 261 N 0.15 3.29 -0.23 2.22 1.01 0.15 -1.11 121.20 126.69 1xpu s ILE 261 Ca -0.07 -0.56 -0.03 0.00 0.00 0.00 0.00 60.65 59.99 1xpu s ILE 261 Cb -0.15 -2.43 0.00 0.00 0.01 0.00 0.00 42.46 39.89 1xpu s ILE 261 CO 0.05 0.49 -0.05 -0.63 0.00 0.00 0.00 174.94 174.80 1xpu s ILE 262 N 0.74 3.23 -0.54 2.92 1.01 0.96 0.98 121.20 130.49 1xpu s ILE 262 Ca -0.04 -0.63 -0.16 0.00 0.00 0.00 0.00 60.65 59.82 1xpu s ILE 262 Cb -0.15 -2.50 0.13 0.00 0.01 0.00 0.00 42.46 39.95 1xpu s ILE 262 CO 0.02 0.37 0.50 -0.76 0.00 0.00 0.00 174.94 175.07 1xpu s LEU 263 N 1.44 6.19 -0.18 2.97 1.43 0.43 -1.49 118.68 129.47 1xpu s LEU 263 Ca 0.05 -1.81 -0.11 0.00 -1.03 0.00 0.00 54.13 51.22 1xpu s LEU 263 Cb -0.15 -2.20 -0.05 0.00 0.03 0.00 0.00 46.19 43.82 1xpu s LEU 263 CO -0.04 -0.85 0.19 -0.22 0.23 0.00 0.00 176.35 175.66 1xpu s LEU 264 N 1.56 4.23 -0.37 1.79 2.96 -1.11 -0.17 118.68 127.57 1xpu s LEU 264 Ca 0.03 0.34 -0.18 0.00 -0.22 0.00 0.00 54.13 54.10 1xpu s LEU 264 Cb -0.29 -2.20 0.00 0.00 0.50 0.00 0.00 46.19 44.20 1xpu s LEU 264 CO 0.03 0.16 0.52 -0.62 -1.32 0.00 0.00 176.35 175.11 1xpu s ASP 265 N 0.36 6.30 -0.22 3.68 -1.08 0.93 -1.69 116.67 124.93 1xpu s ASP 265 Ca 0.11 -0.17 -0.06 0.00 -0.52 0.00 0.00 52.55 51.91 1xpu s ASP 265 Cb -0.12 -2.27 0.02 0.00 -1.46 0.00 0.00 42.92 39.10 1xpu s ASP 265 CO 0.00 -0.54 0.11 -1.54 0.52 0.00 0.00 175.17 173.73 1xpu n SER 266 N 5.80 -4.55 0.24 -0.34 3.41 -1.13 -3.54 113.62 113.52 1xpu n SER 266 Ca -0.05 1.33 0.11 0.00 -0.26 0.00 0.00 58.87 60.00 1xpu n SER 266 Cb 0.48 -4.93 0.56 0.00 -0.26 0.00 0.00 64.21 60.07 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 3.67 0.53 -0.47 -1.33 6.09 -1.77 -2.70 117.51 121.53 1xpu h ILE 267 Ca -0.26 -0.90 -0.08 0.00 -1.37 0.00 0.00 64.86 62.25 1xpu h ILE 267 Cb 0.63 1.61 -0.02 0.00 0.47 0.00 0.00 36.82 39.52 1xpu h ILE 267 CO 0.05 0.18 -0.02 0.00 -3.07 0.00 0.00 178.15 175.29 1xpu h THR 268 N 0.00 1.26 0.00 2.19 1.03 -1.91 0.16 112.91 115.64 1xpu h THR 268 Ca -0.00 -1.10 -0.08 0.00 -0.01 0.00 0.00 66.41 65.22 1xpu h THR 268 Cb 0.60 1.03 -0.01 0.00 -1.07 0.00 0.00 68.15 68.70 1xpu h THR 268 CO 0.02 0.38 -0.37 0.03 -0.01 0.00 0.00 175.52 175.58 1xpu h ARG 269 N 0.70 0.00 -0.21 0.00 2.47 -1.85 -0.64 114.38 114.86 1xpu h ARG 269 Ca 0.13 0.00 -0.14 0.00 -1.26 0.00 0.00 59.98 58.71 1xpu h ARG 269 Cb 0.54 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.85 1xpu h ARG 269 CO 0.03 0.37 -0.47 1.25 0.56 0.00 0.00 179.97 181.71 1xpu h LEU 270 N 0.00 0.59 -0.93 3.04 5.85 -1.18 -2.92 115.31 119.77 1xpu h LEU 270 Ca -0.00 -0.29 -0.11 0.00 0.84 0.00 0.00 57.88 58.32 1xpu h LEU 270 Cb 0.69 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 1xpu h LEU 270 CO 0.05 0.97 -0.50 0.00 -0.34 0.00 0.00 178.44 178.62 1xpu h ALA 271 N 1.05 1.10 -0.85 1.25 0.00 -0.13 -2.74 119.26 118.95 1xpu h ALA 271 Ca 0.02 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1xpu h ALA 271 Cb 0.99 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1xpu h ALA 271 CO 0.09 0.64 0.48 0.00 0.00 0.00 0.00 179.25 180.45 1xpu h ARG 272 N 0.07 1.18 0.48 0.00 2.47 -1.02 -2.28 114.38 115.28 1xpu h ARG 272 Ca 0.00 -0.13 -0.02 0.00 -1.26 0.00 0.00 59.98 58.57 1xpu h ARG 272 Cb 0.91 -0.24 0.00 0.00 -1.65 0.00 0.00 29.97 29.00 1xpu h ARG 272 CO 0.07 0.85 -0.23 0.00 0.56 0.00 0.00 179.97 181.23 1xpu h ALA 273 N 1.34 -0.64 -0.69 0.04 0.00 -1.31 -2.95 119.26 115.05 1xpu h ALA 273 Ca 0.30 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 55.14 1xpu h ALA 273 Cb 0.01 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1xpu h ALA 273 CO -0.05 -0.69 0.46 1.88 0.00 0.00 0.00 179.25 180.85 1xpu h TYR 274 N -0.97 0.50 -0.56 0.00 0.05 -1.55 -0.69 116.97 113.75 1xpu h TYR 274 Ca -0.07 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.73 1xpu h TYR 274 Cb 0.59 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 38.14 1xpu h TYR 274 CO 0.01 0.22 0.37 -0.97 -1.05 0.00 0.00 178.16 176.74 1xpu h ASN 275 N 0.45 0.65 0.99 3.88 -1.24 -1.33 0.26 115.58 119.24 1xpu h ASN 275 Ca 0.33 -0.02 -0.20 0.00 0.71 0.00 0.00 56.30 57.11 1xpu h ASN 275 Cb 0.66 -0.16 -0.03 0.00 0.73 0.00 0.00 38.32 39.52 1xpu h ASN 275 CO -0.10 0.48 -1.05 0.71 -1.29 0.00 0.00 177.43 176.17 1xpu h THR 276 N 0.76 1.34 0.01 -3.57 1.35 -1.25 -3.36 112.91 108.19 1xpu h THR 276 Ca 0.21 -3.00 -0.13 0.00 -0.55 0.00 0.00 66.41 62.94 1xpu h THR 276 Cb -0.08 2.65 0.01 0.00 -1.73 0.00 0.00 68.15 69.00 1xpu h THR 276 CO -0.04 0.76 -0.50 0.58 -0.25 0.00 0.00 175.52 176.07 1xpu h VAL 277 N 0.00 1.47 -3.33 6.82 2.07 -0.93 -3.46 116.25 118.89 1xpu h VAL 277 Ca -0.06 -2.07 -0.52 0.00 0.82 0.00 0.00 66.70 64.86 1xpu h VAL 277 Cb 1.73 2.69 0.04 0.00 -1.52 0.00 0.00 31.29 34.23 1xpu h VAL 277 CO 0.10 0.59 0.72 0.54 0.02 0.00 0.00 177.57 179.54 1xpu s VAL 278 N -3.13 2.94 0.36 2.57 0.11 0.91 -4.98 120.40 119.18 1xpu s VAL 278 Ca -0.14 0.76 -0.28 0.00 -2.93 0.00 0.00 61.98 59.39 1xpu s VAL 278 Cb 0.03 -3.49 -0.12 0.00 -1.53 0.00 0.00 36.38 31.27 1xpu s VAL 278 CO 0.80 0.11 1.41 -0.81 -3.33 0.00 0.00 175.10 173.28 1xpu n PRO 279 N 2.66 2.46 -0.62 1.54 -0.04 -1.26 -4.94 135.00 134.80 1xpu n PRO 279 Ca 0.07 0.86 -0.29 0.00 -0.04 0.00 0.00 63.50 64.11 1xpu n PRO 279 Cb 0.41 -2.54 0.23 0.00 -0.04 0.00 0.00 33.50 31.56 1xpu n PRO 279 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xpu s ALA 280 N -1.08 0.05 -0.06 0.55 0.00 -1.26 -4.94 121.76 115.02 1xpu s ALA 280 Ca 0.54 0.02 -0.31 0.00 0.00 0.00 0.00 51.96 52.22 1xpu s ALA 280 Cb -0.51 -3.28 0.08 0.00 0.00 0.00 0.00 23.12 19.40 1xpu s ALA 280 CO 0.63 -3.54 0.73 -0.51 0.00 0.00 0.00 175.76 173.07 1xpu s LEU 285 N -7.03 -0.61 -0.16 0.00 1.43 -1.26 -4.89 118.68 106.16 1xpu s LEU 285 Ca 0.68 0.63 -0.00 0.00 -1.03 0.00 0.00 54.13 54.40 1xpu s LEU 285 Cb -0.24 2.43 -0.10 0.00 0.03 0.00 0.00 46.19 48.31 1xpu s LEU 285 CO 0.63 -0.58 -0.15 0.35 0.23 0.00 0.00 176.35 176.82 1xpu n THR 286 N 0.81 0.91 -2.72 5.49 -2.24 -0.34 -4.82 114.28 111.37 1xpu n THR 286 Ca -0.17 -0.33 -0.01 0.00 -2.27 0.00 0.00 64.05 61.27 1xpu n THR 286 Cb 0.58 -1.17 0.09 0.00 -2.10 0.00 0.00 70.33 67.72 1xpu n THR 286 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xpu n GLY 287 N 2.62 1.87 0.00 3.38 0.00 -1.26 -4.90 105.19 106.89 1xpu n GLY 287 Ca -0.29 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.05 0.11 3.36 -0.02 0.00 -1.26 -4.01 105.19 102.33 1xpu n GLY 288 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.01 3.06 0.50 1.61 0.11 -1.26 -5.05 120.40 117.36 1xpu s VAL 289 Ca 0.00 -0.65 -0.23 0.00 -2.93 0.00 0.00 61.98 58.17 1xpu s VAL 289 Cb 0.00 -2.29 -0.06 0.00 -1.53 0.00 0.00 36.38 32.49 1xpu s VAL 289 CO 0.00 0.52 1.36 -0.62 -3.33 0.00 0.00 175.10 173.03 1xpu s ASP 290 N 0.45 5.58 0.14 3.54 -1.08 -1.26 -1.20 116.67 122.83 1xpu s ASP 290 Ca -0.09 2.77 -0.09 0.00 -0.52 0.00 0.00 52.55 54.62 1xpu s ASP 290 Cb -0.16 -2.64 -0.06 0.00 -1.46 0.00 0.00 42.92 38.61 1xpu s ASP 290 CO 0.05 -1.36 1.38 0.00 0.52 0.00 0.00 175.17 175.75 1xpu h ALA 291 N 1.83 0.46 0.00 3.66 0.00 -1.94 -3.13 119.26 120.14 1xpu h ALA 291 Ca -0.51 -0.57 0.00 0.00 0.00 0.00 0.00 54.91 53.83 1xpu h ALA 291 Cb 1.28 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1xpu h ALA 291 CO 0.59 0.70 0.00 -1.71 0.00 0.00 0.00 179.25 178.83 1xpu n ASN 292 N -3.93 0.39 -0.03 0.00 4.05 -1.26 -3.93 115.26 110.55 1xpu n ASN 292 Ca -0.06 0.55 -0.13 0.00 0.45 0.00 0.00 54.58 55.40 1xpu n ASN 292 Cb 0.70 -0.65 -0.09 0.00 1.23 0.00 0.00 39.78 40.97 1xpu n ASN 292 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1xpu h ALA 293 N 2.64 0.08 0.00 5.20 0.00 -1.91 -3.27 119.26 122.00 1xpu h ALA 293 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1xpu h ALA 293 Cb 0.52 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1xpu h ALA 293 CO 0.00 -0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.41 1xpu n LEU 294 N -4.74 0.00 -0.21 0.00 4.77 -1.25 -3.13 117.00 112.44 1xpu n LEU 294 Ca -0.08 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.83 1xpu n LEU 294 Cb 0.30 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.41 1xpu n LEU 294 CO 0.36 0.00 0.96 -0.74 -1.33 0.00 0.00 177.39 176.64 1xpu h HIS 295 N 0.00 0.92 -0.17 -1.77 2.76 -1.80 -2.83 115.15 112.26 1xpu h HIS 295 Ca 0.00 -0.08 -0.05 0.00 -2.20 0.00 0.00 60.37 58.04 1xpu h HIS 295 Cb 0.00 -0.27 -0.00 0.00 1.55 0.00 0.00 27.41 28.69 1xpu h HIS 295 CO 0.00 0.75 -0.10 0.00 -1.30 0.00 0.00 177.93 177.29 1xpu h ARG 296 N 0.82 0.37 -0.89 5.26 2.47 -1.82 -2.67 114.38 117.91 1xpu h ARG 296 Ca 0.19 -0.17 0.03 0.00 -1.26 0.00 0.00 59.98 58.77 1xpu h ARG 296 Cb 0.25 -0.01 -0.05 0.00 -1.65 0.00 0.00 29.97 28.51 1xpu h ARG 296 CO -0.01 0.69 0.58 -1.35 0.56 0.00 0.00 179.97 180.44 1xpu h PRO 297 N 0.04 1.11 -0.01 0.04 0.11 -1.79 -2.21 132.00 129.29 1xpu h PRO 297 Ca 0.04 -0.07 -0.05 0.00 0.11 0.00 0.00 66.00 66.03 1xpu h PRO 297 Cb 0.59 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.44 1xpu h PRO 297 CO 0.03 0.73 -0.25 0.87 -0.21 0.00 0.00 178.00 179.17 1xpu h LYS 298 N 1.14 0.02 -0.12 1.05 1.57 -1.50 -1.22 116.57 117.50 1xpu h LYS 298 Ca 0.35 -0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.11 1xpu h LYS 298 Cb -0.03 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1xpu h LYS 298 CO -0.11 0.26 0.03 0.00 -0.57 0.00 0.00 179.45 179.07 1xpu h ARG 299 N 0.02 0.20 0.27 3.15 3.08 -1.10 0.18 114.38 120.16 1xpu h ARG 299 Ca 0.00 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1xpu h ARG 299 Cb 0.45 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1xpu h ARG 299 CO 0.03 0.35 -0.22 0.35 -1.07 0.00 0.00 179.97 179.41 1xpu h PHE 300 N 0.01 -0.58 0.22 3.04 3.57 -0.88 -2.29 116.94 120.03 1xpu h PHE 300 Ca 0.04 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1xpu h PHE 300 Cb 0.24 0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.20 1xpu h PHE 300 CO 0.00 -0.33 -0.11 0.35 -2.23 0.00 0.00 178.31 176.00 1xpu h PHE 301 N -0.50 -0.28 0.00 0.41 -0.00 -1.31 -3.03 116.94 112.24 1xpu h PHE 301 Ca -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.95 1xpu h PHE 301 Cb 0.45 0.09 0.00 0.00 -0.00 0.00 0.00 35.95 36.49 1xpu h PHE 301 CO -0.13 -0.10 0.08 0.78 -0.00 0.00 0.00 178.31 178.93 1xpu h GLY 302 N -0.40 0.00 2.00 2.40 0.00 -0.89 -1.90 103.07 104.29 1xpu h GLY 302 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1xpu h GLY 302 CO 0.05 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.59 1xpu h ALA 303 N 1.82 1.00 -2.30 3.60 0.00 -1.28 -3.43 119.26 118.67 1xpu h ALA 303 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 1xpu h ALA 303 Cb 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1xpu h ALA 303 CO 0.00 0.00 1.06 0.00 0.00 0.00 0.00 179.25 180.31 1xpu s ALA 304 N -3.66 3.62 -0.08 0.00 0.00 -0.72 -4.81 121.76 116.12 1xpu s ALA 304 Ca 0.00 0.99 -0.31 0.00 0.00 0.00 0.00 51.96 52.65 1xpu s ALA 304 Cb 0.09 -3.73 0.09 0.00 0.00 0.00 0.00 23.12 19.57 1xpu s ALA 304 CO 0.43 -1.32 0.79 -0.98 0.00 0.00 0.00 175.76 174.67 1xpu s ARG 305 N 3.72 0.90 0.24 0.00 1.70 0.12 -4.75 118.95 120.89 1xpu s ARG 305 Ca 0.73 0.20 -0.28 0.00 -0.47 0.00 0.00 55.73 55.91 1xpu s ARG 305 Cb -0.35 0.43 -0.09 0.00 -0.57 0.00 0.00 34.95 34.37 1xpu s ARG 305 CO 0.30 -0.29 0.90 1.21 -1.08 0.00 0.00 175.30 176.35 1xpu s ASN 306 N -1.21 7.52 -0.28 -2.89 3.84 -1.21 0.18 114.94 120.89 1xpu s ASN 306 Ca -0.07 1.85 -0.07 0.00 0.21 0.00 0.00 52.86 54.78 1xpu s ASN 306 Cb -0.00 -2.58 -0.00 0.00 -0.55 0.00 0.00 41.25 38.12 1xpu s ASN 306 CO 0.06 0.12 0.08 -0.69 -2.79 0.00 0.00 177.10 173.89 1xpu s VAL 307 N -1.28 4.11 0.40 -5.21 1.01 -0.15 -3.68 120.40 115.60 1xpu s VAL 307 Ca 0.42 -0.53 0.08 0.00 0.00 0.00 0.00 61.98 61.95 1xpu s VAL 307 Cb -0.24 -3.06 0.21 0.00 0.00 0.00 0.00 36.38 33.30 1xpu s VAL 307 CO 0.29 0.15 1.99 -0.08 0.00 0.00 0.00 175.10 177.45 1xpu h GLU 308 N 8.25 0.41 -0.93 2.72 4.81 -1.81 -1.93 114.58 126.09 1xpu h GLU 308 Ca -0.34 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 58.77 1xpu h GLU 308 Cb 1.14 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.40 1xpu h GLU 308 CO 0.60 0.37 0.09 -0.85 -0.73 0.00 0.00 179.01 178.49 1xpu n GLU 309 N -4.39 1.82 0.00 1.92 0.28 -1.26 -4.91 120.64 114.11 1xpu n GLU 309 Ca 0.01 -0.93 0.00 0.00 -0.16 0.00 0.00 57.16 56.08 1xpu n GLU 309 Cb 0.16 -1.56 0.00 0.00 1.43 0.00 0.00 31.44 31.46 1xpu n GLU 309 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1xpu n GLY 310 N 0.11 1.82 0.92 -1.84 0.00 -0.73 -4.89 105.19 100.57 1xpu n GLY 310 Ca 0.13 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 2.55 -2.52 3.62 -0.02 0.00 -1.21 -4.26 105.19 103.36 1xpu n GLY 311 Ca 0.00 -1.96 -0.04 0.00 0.00 0.00 0.00 46.02 44.02 1xpu n GLY 311 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xpu s SER 312 N -2.78 -0.12 -0.20 1.61 1.04 -1.03 -0.98 113.70 111.25 1xpu s SER 312 Ca 0.00 0.11 0.00 0.00 0.48 0.00 0.00 55.95 56.54 1xpu s SER 312 Cb 0.00 0.10 0.02 0.00 0.10 0.00 0.00 66.02 66.24 1xpu s SER 312 CO 0.00 -0.13 -0.15 -0.22 0.98 0.00 0.00 173.24 173.73 1xpu s LEU 313 N -1.25 2.53 -0.13 2.42 2.96 0.13 -1.19 118.68 124.15 1xpu s LEU 313 Ca 0.07 -0.72 -0.01 0.00 -0.22 0.00 0.00 54.13 53.25 1xpu s LEU 313 Cb -0.01 -1.55 -0.02 0.00 0.50 0.00 0.00 46.19 45.11 1xpu s LEU 313 CO -0.05 -0.04 -0.11 0.28 -1.32 0.00 0.00 176.35 175.11 1xpu s THR 314 N 1.30 3.23 -0.15 3.68 -1.32 -0.27 0.13 115.64 122.25 1xpu s THR 314 Ca 0.03 -0.60 0.01 0.00 -1.21 0.00 0.00 61.69 59.92 1xpu s THR 314 Cb -0.14 -2.37 0.02 0.00 -1.51 0.00 0.00 72.50 68.50 1xpu s THR 314 CO -0.09 0.52 -0.15 -0.63 -2.21 0.00 0.00 174.62 172.06 1xpu s ILE 315 N 0.28 1.62 -0.47 5.08 1.01 0.49 -0.03 121.20 129.18 1xpu s ILE 315 Ca -0.08 -0.67 0.00 0.00 0.00 0.00 0.00 60.65 59.90 1xpu s ILE 315 Cb -0.15 -1.51 0.13 0.00 0.01 0.00 0.00 42.46 40.93 1xpu s ILE 315 CO 0.05 0.47 0.24 -0.63 0.00 0.00 0.00 174.94 175.07 1xpu s ILE 316 N 1.42 3.02 0.06 2.92 1.09 -0.55 -1.09 121.20 128.07 1xpu s ILE 316 Ca 0.04 -2.63 0.01 0.00 -1.10 0.00 0.00 60.65 56.97 1xpu s ILE 316 Cb -0.13 -3.07 -0.04 0.00 -1.06 0.00 0.00 42.46 38.16 1xpu s ILE 316 CO -0.10 -0.74 0.15 0.00 -0.10 0.00 0.00 174.94 174.14 1xpu s ALA 317 N 0.47 3.79 -0.17 9.38 0.00 -0.75 -2.73 121.76 131.75 1xpu s ALA 317 Ca 0.13 -0.91 -0.21 0.00 0.00 0.00 0.00 51.96 50.97 1xpu s ALA 317 Cb -0.22 -1.65 -0.03 0.00 0.00 0.00 0.00 23.12 21.22 1xpu s ALA 317 CO -0.04 0.78 0.61 0.95 0.00 0.00 0.00 175.76 178.06 1xpu s THR 318 N -1.43 5.06 -0.62 0.00 -4.23 -0.68 -0.50 115.64 113.24 1xpu s THR 318 Ca 0.31 1.17 -0.18 0.00 -1.18 0.00 0.00 61.69 61.81 1xpu s THR 318 Cb -0.13 -3.93 0.11 0.00 1.34 0.00 0.00 72.50 69.90 1xpu s THR 318 CO 0.24 0.17 0.72 0.00 -0.54 0.00 0.00 174.62 175.21 1xpu s ALA 319 N 1.53 3.46 0.13 3.99 0.00 0.27 -2.53 121.76 128.61 1xpu s ALA 319 Ca 0.29 -2.34 -0.31 0.00 0.00 0.00 0.00 51.96 49.60 1xpu s ALA 319 Cb -0.16 -3.54 -0.09 0.00 0.00 0.00 0.00 23.12 19.33 1xpu s ALA 319 CO 0.11 -2.37 1.51 -0.51 0.00 0.00 0.00 175.76 174.51 1xpu s LEU 320 N 2.50 4.37 0.08 0.00 1.43 -1.26 -2.13 118.68 123.65 1xpu s LEU 320 Ca 0.12 2.48 0.02 0.00 -1.03 0.00 0.00 54.13 55.72 1xpu s LEU 320 Cb -0.23 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.37 1xpu s LEU 320 CO 0.04 -0.77 -0.08 -0.51 0.23 0.00 0.00 176.35 175.26 1xpu s ILE 321 N 1.41 0.70 -1.60 -0.59 -1.16 -0.78 -4.79 121.20 114.38 1xpu s ILE 321 Ca 0.68 -1.55 -0.04 0.00 -0.51 0.00 0.00 60.65 59.24 1xpu s ILE 321 Cb -0.40 -1.21 0.01 0.00 0.61 0.00 0.00 42.46 41.46 1xpu s ILE 321 CO 0.31 -0.61 0.49 0.47 -2.81 0.00 0.00 174.94 172.79 1xpu n ASP 322 N 0.66 -6.08 0.17 4.50 9.92 -1.26 -3.96 116.55 120.49 1xpu n ASP 322 Ca -0.17 -0.24 0.02 0.00 -0.53 0.00 0.00 54.79 53.87 1xpu n ASP 322 Cb 0.58 -4.94 0.28 0.00 -0.64 0.00 0.00 41.12 36.40 1xpu n ASP 322 CO 0.00 0.00 0.00 0.74 0.13 0.00 0.00 177.20 178.07 1xpu h THR 323 N -1.13 1.24 0.00 -3.53 2.02 -1.94 -3.42 112.91 106.15 1xpu h THR 323 Ca -0.53 -1.68 0.00 0.00 0.77 0.00 0.00 66.41 64.97 1xpu h THR 323 Cb 1.37 1.93 0.00 0.00 -1.74 0.00 0.00 68.15 69.71 1xpu h THR 323 CO 0.57 0.47 0.00 0.61 0.37 0.00 0.00 175.52 177.54 1xpu n GLY 324 N -0.01 0.53 3.69 2.16 0.00 -1.26 -5.08 105.19 105.22 1xpu n GLY 324 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.39 6.08 0.28 1.61 0.15 -1.26 -4.99 113.70 113.18 1xpu s SER 325 Ca 0.00 0.17 -0.03 0.00 0.70 0.00 0.00 55.95 56.78 1xpu s SER 325 Cb 0.00 -2.07 0.38 0.00 -1.71 0.00 0.00 66.02 62.62 1xpu s SER 325 CO 0.00 0.14 1.94 0.11 1.20 0.00 0.00 173.24 176.63 1xpu h LYS 326 N 6.95 1.18 -0.14 5.44 6.56 -1.98 -2.78 116.57 131.80 1xpu h LYS 326 Ca -0.39 -0.07 -0.15 0.00 -1.06 0.00 0.00 60.65 58.98 1xpu h LYS 326 Cb 1.16 -0.27 -0.01 0.00 -0.57 0.00 0.00 32.23 32.54 1xpu h LYS 326 CO 0.72 0.78 -0.55 0.00 -2.06 0.00 0.00 179.45 178.34 1xpu h MET 327 N 1.21 0.41 -0.39 3.15 -0.00 -1.95 0.19 114.93 117.56 1xpu h MET 327 Ca 0.35 -0.26 -0.03 0.00 -0.00 0.00 0.00 59.70 59.76 1xpu h MET 327 Cb -0.08 0.03 -0.02 0.00 -0.00 0.00 0.00 31.60 31.53 1xpu h MET 327 CO -0.09 0.85 0.12 -0.44 -0.00 0.00 0.00 176.91 177.35 1xpu h ASP 328 N 0.32 0.51 -0.06 -0.10 3.32 -1.90 -0.54 116.42 117.96 1xpu h ASP 328 Ca 0.01 -0.06 -0.19 0.00 0.02 0.00 0.00 57.03 56.80 1xpu h ASP 328 Cb 1.06 -0.13 0.01 0.00 0.22 0.00 0.00 39.33 40.50 1xpu h ASP 328 CO 0.10 0.49 -0.71 -0.33 -1.72 0.00 0.00 179.24 177.07 1xpu h GLU 329 N 0.55 0.58 -0.49 3.56 4.39 -1.14 -2.90 114.58 119.14 1xpu h GLU 329 Ca 0.13 -0.55 -0.06 0.00 0.34 0.00 0.00 59.36 59.22 1xpu h GLU 329 Cb 0.17 0.14 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1xpu h GLU 329 CO -0.01 1.17 0.05 0.28 -1.16 0.00 0.00 179.01 179.35 1xpu h VAL 330 N 0.19 1.23 -0.65 3.13 2.07 -0.44 -2.24 116.25 119.54 1xpu h VAL 330 Ca -0.07 -0.90 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1xpu h VAL 330 Cb 1.37 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 1xpu h VAL 330 CO 0.14 0.32 0.41 0.40 0.02 0.00 0.00 177.57 178.87 1xpu h ILE 331 N 0.74 1.18 -0.73 4.57 2.04 -1.16 -3.10 117.51 121.05 1xpu h ILE 331 Ca 0.15 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 1xpu h ILE 331 Cb 0.37 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 1xpu h ILE 331 CO 0.01 0.18 0.39 0.22 0.00 0.00 0.00 178.15 178.95 1xpu h TYR 332 N 0.89 1.02 -0.81 1.37 3.20 -1.20 -2.68 116.97 118.77 1xpu h TYR 332 Ca 0.24 -0.03 0.06 0.00 3.14 0.00 0.00 58.73 62.13 1xpu h TYR 332 Cb -0.06 -0.32 -0.06 0.00 1.54 0.00 0.00 36.73 37.83 1xpu h TYR 332 CO -0.02 0.73 0.50 0.93 -1.64 0.00 0.00 178.16 178.66 1xpu h GLU 333 N 1.02 0.88 0.00 1.82 4.39 -1.38 -1.77 114.58 119.53 1xpu h GLU 333 Ca 0.26 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.83 1xpu h GLU 333 Cb 0.06 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.50 1xpu h GLU 333 CO -0.04 0.58 -0.33 0.93 -1.16 0.00 0.00 179.01 179.00 1xpu h GLU 334 N 0.91 0.00 -0.02 2.33 4.39 -1.45 -2.90 114.58 117.84 1xpu h GLU 334 Ca 0.36 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.06 1xpu h GLU 334 Cb 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1xpu h GLU 334 CO -0.17 0.33 -0.04 1.19 -1.16 0.00 0.00 179.01 179.15 1xpu n PHE 335 N -3.54 0.00 -2.16 4.33 3.72 -0.82 -4.80 117.46 114.19 1xpu n PHE 335 Ca -0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.97 1xpu n PHE 335 Cb 0.47 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.97 1xpu n PHE 335 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 1xpu s LYS 336 N -2.06 4.28 0.00 -1.08 1.02 -0.73 -3.18 119.74 117.99 1xpu s LYS 336 Ca 0.33 2.05 0.00 0.00 0.02 0.00 0.00 55.97 58.37 1xpu s LYS 336 Cb 0.20 -3.49 0.00 0.00 -0.52 0.00 0.00 37.83 34.03 1xpu s LYS 336 CO 0.35 -0.56 0.00 0.41 -0.92 0.00 0.00 175.35 174.63 1xpu n GLY 337 N 3.65 3.22 0.08 -3.33 0.00 -1.26 -4.85 105.19 102.70 1xpu n GLY 337 Ca 0.13 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.24 1xpu n GLY 337 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xpu n THR 338 N -1.93 1.06 -3.84 2.61 -2.24 -1.19 -4.75 114.28 103.99 1xpu n THR 338 Ca 0.00 0.34 -0.21 0.00 -2.27 0.00 0.00 64.05 61.92 1xpu n THR 338 Cb 0.00 -1.23 -0.02 0.00 -2.10 0.00 0.00 70.33 66.97 1xpu n THR 338 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1xpu s GLY 339 N -3.31 1.45 0.00 3.38 0.00 -1.26 -4.93 107.32 102.65 1xpu s GLY 339 Ca 0.04 -1.40 0.13 0.00 0.00 0.00 0.00 44.72 43.48 1xpu s GLY 339 CO 0.27 -1.38 1.25 1.16 0.00 0.00 0.00 173.10 174.40 1xpu n ASN 340 N -1.41 2.95 -3.69 1.64 0.23 -0.30 -4.95 115.26 109.72 1xpu n ASN 340 Ca -0.05 -1.93 -0.13 0.00 -0.53 0.00 0.00 54.58 51.93 1xpu n ASN 340 Cb 0.58 -0.23 -0.09 0.00 -2.08 0.00 0.00 39.78 37.96 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 -1.02 0.62 0.12 -3.83 0.00 -1.19 -0.04 119.30 113.96 1xpu s MET 341 Ca 0.26 0.75 0.11 0.00 0.00 0.00 0.00 55.69 56.80 1xpu s MET 341 Cb 0.14 0.29 -0.04 0.00 0.00 0.00 0.00 34.83 35.22 1xpu s MET 341 CO 0.18 -0.08 -0.26 -1.21 0.00 0.00 0.00 175.02 173.65 1xpu s GLU 342 N 0.32 1.40 -0.35 4.11 2.02 0.43 -1.40 118.70 125.24 1xpu s GLU 342 Ca -0.00 -1.32 0.03 0.00 0.02 0.00 0.00 54.97 53.69 1xpu s GLU 342 Cb -0.04 -1.86 0.15 0.00 0.10 0.00 0.00 34.13 32.48 1xpu s GLU 342 CO 0.00 0.44 0.37 -1.17 0.02 0.00 0.00 175.26 174.93 1xpu s LEU 343 N -2.00 -0.21 0.16 1.80 2.96 -1.09 -2.11 118.68 118.19 1xpu s LEU 343 Ca 0.13 -1.30 -0.19 0.00 -0.22 0.00 0.00 54.13 52.55 1xpu s LEU 343 Cb -0.10 0.65 -0.08 0.00 0.50 0.00 0.00 46.19 47.16 1xpu s LEU 343 CO 0.06 -0.29 0.66 -1.00 -1.32 0.00 0.00 176.35 174.46 1xpu s HIS 344 N 1.71 3.73 0.16 5.38 3.76 -1.26 -0.49 115.29 128.28 1xpu s HIS 344 Ca 0.15 1.34 0.09 0.00 -0.15 0.00 0.00 55.06 56.49 1xpu s HIS 344 Cb -0.14 -2.56 -0.04 0.00 1.11 0.00 0.00 32.58 30.94 1xpu s HIS 344 CO -0.11 0.46 -0.15 -0.51 -0.85 0.00 0.00 174.74 173.57 1xpu s LEU 345 N -1.59 2.79 0.04 0.89 1.43 0.62 -1.74 118.68 121.12 1xpu s LEU 345 Ca 0.37 -0.62 0.08 0.00 -1.03 0.00 0.00 54.13 52.93 1xpu s LEU 345 Cb -0.18 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.47 1xpu s LEU 345 CO 0.21 0.13 -0.22 -0.55 0.23 0.00 0.00 176.35 176.16 1xpu s SER 346 N -2.55 2.60 0.42 2.29 0.15 -1.26 -4.46 113.70 110.88 1xpu s SER 346 Ca 0.22 -0.52 0.22 0.00 0.70 0.00 0.00 55.95 56.57 1xpu s SER 346 Cb -0.09 -0.23 0.82 0.00 -1.71 0.00 0.00 66.02 64.81 1xpu s SER 346 CO 0.12 0.19 1.79 -0.09 1.20 0.00 0.00 173.24 176.45 1xpu h ARG 347 N 4.96 0.00 -0.52 5.44 2.43 -1.93 -3.12 114.38 121.64 1xpu h ARG 347 Ca -0.43 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 58.84 1xpu h ARG 347 Cb 1.15 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.63 1xpu h ARG 347 CO 0.44 0.28 0.07 0.87 -1.51 0.00 0.00 179.97 180.12 1xpu h LYS 348 N 0.00 0.19 -0.19 0.20 1.57 -1.97 0.52 116.57 116.89 1xpu h LYS 348 Ca -0.00 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.66 1xpu h LYS 348 Cb 0.81 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 1xpu h LYS 348 CO 0.04 0.13 -0.32 0.82 -0.57 0.00 0.00 179.45 179.54 1xpu h ILE 349 N 0.20 1.28 0.00 1.86 1.08 -1.83 -2.42 117.51 117.67 1xpu h ILE 349 Ca 0.26 -1.37 -0.03 0.00 -0.39 0.00 0.00 64.86 63.33 1xpu h ILE 349 Cb 0.38 1.49 -0.00 0.00 -3.07 0.00 0.00 36.82 35.61 1xpu h ILE 349 CO -0.37 0.42 -0.15 0.00 -0.69 0.00 0.00 178.15 177.36 1xpu h ALA 350 N 1.32 0.95 0.81 1.87 0.00 -1.26 -1.37 119.26 121.59 1xpu h ALA 350 Ca 0.04 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1xpu h ALA 350 Cb 0.74 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.51 1xpu h ALA 350 CO 0.06 0.19 -0.39 0.93 0.00 0.00 0.00 179.25 180.04 1xpu h GLU 351 N 0.00 -1.05 -0.49 0.00 4.39 0.51 -2.96 114.58 114.98 1xpu h GLU 351 Ca -0.00 0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1xpu h GLU 351 Cb 0.86 0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.75 1xpu h GLU 351 CO 0.02 -0.70 0.00 1.63 -1.16 0.00 0.00 179.01 178.80 1xpu n LYS 352 N -5.28 0.57 -3.15 2.33 5.02 -1.21 -4.73 118.16 111.71 1xpu n LYS 352 Ca -0.14 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 55.93 1xpu n LYS 352 Cb 0.43 -1.24 0.02 0.00 -0.02 0.00 0.00 35.03 34.22 1xpu n LYS 352 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1xpu n ARG 353 N 0.11 -4.35 -3.20 1.97 5.12 -1.12 -4.93 116.66 110.27 1xpu n ARG 353 Ca 0.00 0.74 -0.39 0.00 -1.93 0.00 0.00 57.85 56.27 1xpu n ARG 353 Cb 0.12 -5.55 -0.06 0.00 -1.16 0.00 0.00 32.46 25.82 1xpu n ARG 353 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1xpu s VAL 354 N -3.08 5.12 0.40 1.55 1.01 -0.52 -5.03 120.40 119.85 1xpu s VAL 354 Ca 0.34 1.15 0.08 0.00 0.00 0.00 0.00 61.98 63.54 1xpu s VAL 354 Cb -0.16 -3.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 1xpu s VAL 354 CO 0.42 0.27 0.45 -0.36 0.00 0.00 0.00 175.10 175.88 1xpu s PHE 355 N 0.87 2.80 0.00 5.22 0.08 -1.26 -4.19 117.98 121.50 1xpu s PHE 355 Ca 0.30 -0.42 0.00 0.00 0.12 0.00 0.00 56.93 56.93 1xpu s PHE 355 Cb -0.16 -2.19 0.00 0.00 -0.57 0.00 0.00 43.02 40.10 1xpu s PHE 355 CO 0.13 -0.19 0.00 -2.30 -0.10 0.00 0.00 175.22 172.76 1xpu n PRO 356 N -1.65 0.00 -0.03 0.24 -0.01 -1.26 -4.88 135.00 127.41 1xpu n PRO 356 Ca 0.04 0.00 -0.15 0.00 -0.01 0.00 0.00 63.50 63.39 1xpu n PRO 356 Cb 0.60 0.00 -0.11 0.00 -0.01 0.00 0.00 33.50 33.99 1xpu n PRO 356 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1xpu h ALA 357 N 0.00 0.06 0.00 3.55 0.00 -1.81 -3.48 119.26 117.58 1xpu h ALA 357 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1xpu h ALA 357 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1xpu h ALA 357 CO 0.00 0.05 0.00 -0.89 0.00 0.00 0.00 179.25 178.41 1xpu n ILE 358 N -4.55 0.00 -3.09 0.00 5.41 -1.26 -4.51 119.36 111.37 1xpu n ILE 358 Ca -0.09 0.00 -0.45 0.00 1.00 0.00 0.00 62.75 63.21 1xpu n ILE 358 Cb 0.46 0.00 -0.01 0.00 -0.71 0.00 0.00 39.64 39.37 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 0.00 6.88 0.34 4.38 2.15 -0.71 -4.80 116.67 124.91 1xpu s ASP 359 Ca 0.00 -2.68 0.10 0.00 0.43 0.00 0.00 52.55 50.40 1xpu s ASP 359 Cb 0.00 -2.33 0.87 0.00 -0.30 0.00 0.00 42.92 41.17 1xpu s ASP 359 CO 0.00 -0.75 1.77 0.22 -0.17 0.00 0.00 175.17 176.25 1xpu h TYR 360 N 7.82 0.93 0.00 -5.34 3.20 -1.88 0.12 116.97 121.82 1xpu h TYR 360 Ca 0.19 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.09 1xpu h TYR 360 Cb 0.97 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.96 1xpu h TYR 360 CO 1.06 0.16 0.00 0.09 -1.64 0.00 0.00 178.16 177.83 1xpu n ASN 361 N -4.74 0.00 -0.00 -2.11 3.02 -1.26 -3.37 115.26 106.80 1xpu n ASN 361 Ca 0.24 -0.08 0.01 0.00 -0.03 0.00 0.00 54.58 54.72 1xpu n ASN 361 Cb 0.68 -0.29 -0.02 0.00 -0.61 0.00 0.00 39.78 39.54 1xpu n ASN 361 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1xpu n ARG 362 N -1.29 1.00 -1.62 3.52 0.63 0.24 -5.05 116.66 114.10 1xpu n ARG 362 Ca 0.12 -0.02 -0.29 0.00 -0.92 0.00 0.00 57.85 56.74 1xpu n ARG 362 Cb 0.20 -1.07 0.21 0.00 0.45 0.00 0.00 32.46 32.26 1xpu n ARG 362 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1xpu n SER 363 N -1.73 -0.50 0.00 6.15 7.64 -0.25 -4.72 113.62 120.22 1xpu n SER 363 Ca -0.02 -1.38 0.00 0.00 1.01 0.00 0.00 58.87 58.49 1xpu n SER 363 Cb 0.21 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 62.42 1xpu n SER 363 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xpu n GLY 364 N -3.74 3.76 3.75 0.23 0.00 -0.90 -4.92 105.19 103.37 1xpu n GLY 364 Ca 0.16 -1.69 -0.23 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.34 3.42 0.21 2.61 -1.32 -1.26 -0.43 115.64 116.52 1xpu s THR 365 Ca 0.00 -1.64 -0.10 0.00 -1.21 0.00 0.00 61.69 58.74 1xpu s THR 365 Cb 0.00 -3.05 -0.07 0.00 -1.51 0.00 0.00 72.50 67.87 1xpu s THR 365 CO 0.00 -0.25 0.53 -0.60 -2.21 0.00 0.00 174.62 172.10 1xpu s ARG 366 N -3.84 3.81 -1.31 7.08 3.52 0.94 -4.38 118.95 124.77 1xpu s ARG 366 Ca 0.36 0.28 -0.03 0.00 -0.13 0.00 0.00 55.73 56.21 1xpu s ARG 366 Cb -0.05 -2.71 -0.00 0.00 -1.56 0.00 0.00 34.95 30.63 1xpu s ARG 366 CO 0.23 0.36 0.62 1.63 -0.81 0.00 0.00 175.30 177.33 1xpu n LYS 367 N 0.04 -3.86 0.20 5.12 4.76 -1.26 -4.86 118.16 118.30 1xpu n LYS 367 Ca -0.01 0.53 0.12 0.00 -2.87 0.00 0.00 58.31 56.08 1xpu n LYS 367 Cb 0.52 -4.85 0.68 0.00 -1.84 0.00 0.00 35.03 29.54 1xpu n LYS 367 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1xpu h GLU 368 N -1.84 0.00 -0.97 1.97 5.08 -1.97 -3.12 114.58 113.72 1xpu h GLU 368 Ca -0.62 0.00 0.20 0.00 -1.00 0.00 0.00 59.36 57.93 1xpu h GLU 368 Cb 1.36 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.50 1xpu h GLU 368 CO 0.57 0.00 0.57 1.05 -1.00 0.00 0.00 179.01 180.20 1xpu h GLU 369 N 0.00 0.66 0.00 2.33 4.11 -1.89 -1.87 114.58 117.93 1xpu h GLU 369 Ca 0.06 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.45 1xpu h GLU 369 Cb 0.26 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.36 1xpu h GLU 369 CO -0.00 0.44 0.00 -0.07 0.07 0.00 0.00 179.01 179.45 1xpu h LEU 370 N 0.68 0.00 -3.65 3.06 4.07 -1.77 -3.21 115.31 114.50 1xpu h LEU 370 Ca 0.57 0.00 -0.31 0.00 0.08 0.00 0.00 57.88 58.22 1xpu h LEU 370 Cb 0.94 0.00 -0.19 0.00 1.08 0.00 0.00 40.66 42.49 1xpu h LEU 370 CO -0.41 0.00 0.26 0.18 -1.08 0.00 0.00 178.44 177.39 1xpu n LEU 371 N -2.92 5.38 -3.64 1.67 4.32 -0.71 -4.11 117.00 117.00 1xpu n LEU 371 Ca 0.04 -3.62 -0.05 0.00 -0.02 0.00 0.00 56.01 52.36 1xpu n LEU 371 Cb 0.49 -0.73 -0.07 0.00 -1.62 0.00 0.00 43.42 41.50 1xpu n LEU 371 CO 0.33 1.10 0.61 -0.89 -1.22 0.00 0.00 177.39 177.32 1xpu s THR 372 N -3.22 0.00 0.26 -5.08 2.01 -1.19 -4.74 115.64 103.68 1xpu s THR 372 Ca 0.51 0.00 -0.30 0.00 0.31 0.00 0.00 61.69 62.21 1xpu s THR 372 Cb 0.44 -1.00 -0.09 0.00 0.01 0.00 0.00 72.50 71.85 1xpu s THR 372 CO 0.06 0.00 1.28 0.42 -0.69 0.00 0.00 174.62 175.69 1xpu s THR 373 N 1.14 3.08 0.34 -0.82 -4.23 -1.26 -4.78 115.64 109.11 1xpu s THR 373 Ca -0.06 0.97 0.13 0.00 -1.18 0.00 0.00 61.69 61.55 1xpu s THR 373 Cb -0.04 -3.62 0.33 0.00 1.34 0.00 0.00 72.50 70.51 1xpu s THR 373 CO -0.14 0.19 1.65 0.06 -0.54 0.00 0.00 174.62 175.84 1xpu h GLN 374 N 4.47 0.27 -0.52 3.99 3.07 -1.99 0.25 115.11 124.66 1xpu h GLN 374 Ca -0.46 -0.02 0.10 0.00 0.09 0.00 0.00 58.65 58.36 1xpu h GLN 374 Cb 1.22 -0.06 -0.08 0.00 0.08 0.00 0.00 27.48 28.63 1xpu h GLN 374 CO 0.72 0.18 0.01 0.93 0.09 0.00 0.00 178.83 180.76 1xpu h GLU 375 N 0.28 0.13 -0.22 0.06 3.07 -2.01 -1.75 114.58 114.13 1xpu h GLU 375 Ca 0.72 -0.01 -0.15 0.00 -0.50 0.00 0.00 59.36 59.42 1xpu h GLU 375 Cb 1.65 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 29.52 1xpu h GLU 375 CO -0.63 0.08 -0.48 1.49 -1.40 0.00 0.00 179.01 178.08 1xpu h GLU 376 N 0.13 0.58 0.08 2.33 4.81 -0.92 -3.22 114.58 118.38 1xpu h GLU 376 Ca 0.26 -0.33 0.01 0.00 -0.13 0.00 0.00 59.36 59.17 1xpu h GLU 376 Cb 0.40 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 1xpu h GLU 376 CO -0.42 0.93 -0.12 1.25 -0.73 0.00 0.00 179.01 179.92 1xpu h LEU 377 N 0.46 -0.32 -0.73 1.64 5.85 -0.41 -1.46 115.31 120.34 1xpu h LEU 377 Ca 0.03 0.04 -0.04 0.00 0.84 0.00 0.00 57.88 58.75 1xpu h LEU 377 Cb 1.00 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 1xpu h LEU 377 CO 0.09 -0.18 0.32 1.56 -0.34 0.00 0.00 178.44 179.89 1xpu h GLN 378 N -0.24 1.07 -0.37 1.25 4.20 -1.54 -0.74 115.11 118.74 1xpu h GLN 378 Ca 0.02 -0.18 0.07 0.00 0.06 0.00 0.00 58.65 58.62 1xpu h GLN 378 Cb 0.25 -0.18 -0.07 0.00 0.30 0.00 0.00 27.48 27.78 1xpu h GLN 378 CO -0.06 0.87 -0.09 -0.22 -0.67 0.00 0.00 178.83 178.65 1xpu h LYS 379 N 1.04 0.00 -0.08 1.46 3.11 -1.49 -0.52 116.57 120.09 1xpu h LYS 379 Ca 0.25 -0.00 -0.08 0.00 -2.81 0.00 0.00 60.65 58.01 1xpu h LYS 379 Cb 0.17 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.39 1xpu h LYS 379 CO -0.02 0.00 -0.31 0.52 -2.81 0.00 0.00 179.45 176.83 1xpu h MET 380 N 0.00 0.15 -0.05 1.90 2.86 -0.89 -2.09 114.93 116.81 1xpu h MET 380 Ca 0.18 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.65 1xpu h MET 380 Cb 0.27 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1xpu h MET 380 CO -0.39 0.45 -0.49 -1.49 1.06 0.00 0.00 176.91 176.06 1xpu h TRP 381 N 0.14 0.16 -0.01 -0.22 4.06 -0.06 -0.89 115.95 119.12 1xpu h TRP 381 Ca 0.02 -0.05 -0.10 0.00 2.06 0.00 0.00 58.89 60.82 1xpu h TRP 381 Cb 0.61 -0.03 0.01 0.00 -1.00 0.00 0.00 29.16 28.75 1xpu h TRP 381 CO 0.01 0.59 -0.40 0.82 -3.56 0.00 0.00 178.44 175.90 1xpu h ILE 382 N 0.10 1.48 -0.95 1.49 2.04 -0.92 -2.48 117.51 118.27 1xpu h ILE 382 Ca 0.00 -1.95 0.13 0.00 1.00 0.00 0.00 64.86 64.04 1xpu h ILE 382 Cb 0.90 2.62 -0.09 0.00 -0.74 0.00 0.00 36.82 39.51 1xpu h ILE 382 CO 0.07 0.55 0.58 0.25 0.00 0.00 0.00 178.15 179.60 1xpu h LEU 383 N -0.28 0.81 -0.76 1.44 6.46 -1.32 -0.30 115.31 121.37 1xpu h LEU 383 Ca -0.05 0.06 -0.12 0.00 -0.12 0.00 0.00 57.88 57.66 1xpu h LEU 383 Cb 1.12 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 40.94 1xpu h LEU 383 CO 0.08 0.41 -0.34 -0.09 -0.62 0.00 0.00 178.44 177.87 1xpu h ARG 384 N 0.88 0.55 -0.03 1.25 2.43 -1.20 -1.76 114.38 116.49 1xpu h ARG 384 Ca 0.49 -0.25 -0.10 0.00 -0.81 0.00 0.00 59.98 59.31 1xpu h ARG 384 Cb 0.55 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1xpu h ARG 384 CO -0.29 0.82 -0.44 0.87 -1.51 0.00 0.00 179.97 179.42 1xpu h LYS 385 N 0.47 0.08 0.06 0.20 1.57 -0.62 -0.53 116.57 117.79 1xpu h LYS 385 Ca 0.05 -0.04 -0.28 0.00 -1.87 0.00 0.00 60.65 58.51 1xpu h LYS 385 Cb 0.82 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.10 1xpu h LYS 385 CO 0.07 0.50 -1.48 -0.84 -0.57 0.00 0.00 179.45 177.13 1xpu h ILE 386 N 0.06 1.18 0.00 1.86 3.07 -1.07 -3.34 117.51 119.27 1xpu h ILE 386 Ca 0.00 -2.89 -0.01 0.00 1.55 0.00 0.00 64.86 63.51 1xpu h ILE 386 Cb 0.80 2.68 -0.00 0.00 -0.27 0.00 0.00 36.82 40.03 1xpu h ILE 386 CO 0.06 0.77 -0.24 0.40 -1.05 0.00 0.00 178.15 178.09 1xpu h ILE 387 N 0.04 0.08 -0.19 0.16 2.04 -1.30 -3.39 117.51 114.95 1xpu h ILE 387 Ca -0.21 -1.12 0.04 0.00 1.00 0.00 0.00 64.86 64.57 1xpu h ILE 387 Cb 1.96 1.95 -0.07 0.00 -0.74 0.00 0.00 36.82 39.92 1xpu h ILE 387 CO 0.13 0.05 -0.52 -0.74 0.00 0.00 0.00 178.15 177.07 1xpu h HIS 388 N 0.00 -1.55 0.00 1.37 2.76 -1.21 -2.28 115.15 114.24 1xpu h HIS 388 Ca -0.00 0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 1xpu h HIS 388 Cb 1.04 0.70 0.00 0.00 1.55 0.00 0.00 27.41 30.71 1xpu h HIS 388 CO 0.00 -0.53 0.00 -1.35 -1.30 0.00 0.00 177.93 174.75 1xpu h PRO 389 N -0.53 0.00 -6.79 5.26 0.11 -1.80 -3.44 132.00 124.80 1xpu h PRO 389 Ca 0.05 0.00 -0.52 0.00 0.11 0.00 0.00 66.00 65.64 1xpu h PRO 389 Cb 0.66 0.00 0.05 0.00 0.11 0.00 0.00 31.00 31.82 1xpu h PRO 389 CO -0.46 0.00 0.66 -1.64 -0.21 0.00 0.00 178.00 176.35 1xpu s MET 390 N -3.56 4.36 0.85 1.05 -1.94 -0.86 -5.01 119.30 114.20 1xpu s MET 390 Ca 0.02 2.17 -0.10 0.00 -1.71 0.00 0.00 55.69 56.06 1xpu s MET 390 Cb 0.09 -3.12 0.11 0.00 2.01 0.00 0.00 34.83 33.92 1xpu s MET 390 CO 0.46 -0.24 1.11 0.20 -0.01 0.00 0.00 175.02 176.55 1xpu s GLY 391 N -0.09 1.67 0.20 -0.03 0.00 -1.26 -4.60 107.32 103.21 1xpu s GLY 391 Ca 0.53 0.36 -0.20 0.00 0.00 0.00 0.00 44.72 45.41 1xpu s GLY 391 CO 0.46 0.76 1.58 0.83 0.00 0.00 0.00 173.10 176.73 1xpu h GLU 392 N -1.52 -0.12 -0.39 2.90 5.08 -1.96 0.11 114.58 118.69 1xpu h GLU 392 Ca -0.44 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 57.87 1xpu h GLU 392 Cb 1.25 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 1xpu h GLU 392 CO 0.48 -0.08 0.02 0.82 -1.00 0.00 0.00 179.01 179.25 1xpu h ILE 393 N -0.13 1.25 0.52 3.13 2.04 -1.93 -3.16 117.51 119.23 1xpu h ILE 393 Ca 0.26 -0.95 -0.03 0.00 1.00 0.00 0.00 64.86 65.15 1xpu h ILE 393 Cb 0.56 1.11 0.01 0.00 -0.74 0.00 0.00 36.82 37.75 1xpu h ILE 393 CO -0.73 0.32 -0.25 0.44 0.00 0.00 0.00 178.15 177.93 1xpu h ASP 394 N 0.50 -0.59 -0.88 1.72 3.32 -1.76 -3.12 116.42 115.62 1xpu h ASP 394 Ca 0.11 -0.04 0.23 0.00 0.02 0.00 0.00 57.03 57.35 1xpu h ASP 394 Cb 0.43 0.15 -0.13 0.00 0.22 0.00 0.00 39.33 40.00 1xpu h ASP 394 CO 0.02 -0.32 0.29 0.00 -1.72 0.00 0.00 179.24 177.51 1xpu h ALA 395 N -0.43 1.32 0.38 3.45 0.00 -0.81 0.94 119.26 124.12 1xpu h ALA 395 Ca -0.07 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1xpu h ALA 395 Cb 0.59 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1xpu h ALA 395 CO 0.12 -0.42 -0.18 0.52 0.00 0.00 0.00 179.25 179.28 1xpu h MET 396 N 0.27 -0.50 -0.32 0.00 2.86 -1.62 -2.60 114.93 113.03 1xpu h MET 396 Ca 0.55 0.03 0.09 0.00 -2.06 0.00 0.00 59.70 58.32 1xpu h MET 396 Cb 1.09 0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.85 1xpu h MET 396 CO -0.60 -0.20 0.30 0.93 1.06 0.00 0.00 176.91 178.39 1xpu h GLU 397 N -1.01 0.00 -0.11 1.72 5.08 -1.35 0.37 114.58 119.28 1xpu h GLU 397 Ca -0.05 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.15 1xpu h GLU 397 Cb 0.52 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1xpu h GLU 397 CO 0.09 0.00 -0.61 0.35 -1.00 0.00 0.00 179.01 177.83 1xpu h PHE 398 N 0.00 0.49 0.00 4.33 3.57 -0.83 -3.05 116.94 121.44 1xpu h PHE 398 Ca 0.15 -0.19 -0.01 0.00 3.53 0.00 0.00 57.97 61.45 1xpu h PHE 398 Cb 0.75 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.40 1xpu h PHE 398 CO 0.00 0.90 -0.09 1.25 -2.23 0.00 0.00 178.31 178.13 1xpu h LEU 399 N 0.28 0.00 -1.81 0.59 6.46 0.08 -3.05 115.31 117.86 1xpu h LEU 399 Ca -0.01 -0.66 0.13 0.00 -0.12 0.00 0.00 57.88 57.23 1xpu h LEU 399 Cb 1.15 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.05 1xpu h LEU 399 CO 0.10 0.88 0.39 0.40 -0.62 0.00 0.00 178.44 179.60 1xpu h ILE 400 N -1.00 0.80 0.40 4.05 2.04 -1.35 0.06 117.51 122.52 1xpu h ILE 400 Ca -0.02 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 1xpu h ILE 400 Cb 0.72 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1xpu h ILE 400 CO -0.01 0.04 -0.22 -1.13 0.00 0.00 0.00 178.15 176.83 1xpu h ASN 401 N 0.20 -0.53 0.53 1.72 -1.24 -1.60 -2.34 115.58 112.32 1xpu h ASN 401 Ca 0.27 0.03 -0.19 0.00 0.71 0.00 0.00 56.30 57.12 1xpu h ASN 401 Cb 0.80 0.15 -0.01 0.00 0.73 0.00 0.00 38.32 39.98 1xpu h ASN 401 CO -0.05 -0.36 -0.83 0.11 -1.29 0.00 0.00 177.43 175.01 1xpu h LYS 402 N -0.57 0.21 -0.34 6.67 1.79 -1.23 -3.30 116.57 119.80 1xpu h LYS 402 Ca -0.05 -0.22 -0.06 0.00 -2.18 0.00 0.00 60.65 58.14 1xpu h LYS 402 Cb 0.46 0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.15 1xpu h LYS 402 CO 0.07 0.93 -0.04 -0.07 -1.08 0.00 0.00 179.45 179.26 1xpu h LEU 403 N 0.13 0.62 -2.00 2.94 3.38 -1.04 -3.28 115.31 116.06 1xpu h LEU 403 Ca -0.04 -0.33 0.20 0.00 0.09 0.00 0.00 57.88 57.79 1xpu h LEU 403 Cb 1.44 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 42.00 1xpu h LEU 403 CO 0.13 0.81 0.51 0.00 0.09 0.00 0.00 178.44 179.97 1xpu h ALA 404 N 0.83 2.61 0.00 1.53 0.00 -1.50 -1.33 119.26 121.41 1xpu h ALA 404 Ca 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1xpu h ALA 404 Cb 0.51 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1xpu h ALA 404 CO 0.02 -0.86 0.00 -1.33 0.00 0.00 0.00 179.25 177.09 1xpu n MET 405 N -4.24 0.13 -0.29 0.00 2.81 -1.23 -4.92 117.12 109.38 1xpu n MET 405 Ca 0.13 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 56.05 1xpu n MET 405 Cb 0.77 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.78 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 -1.43 0.00 -4.12 2.03 -2.24 -0.50 -5.11 114.28 102.91 1xpu n THR 406 Ca 0.09 0.00 -0.25 0.00 -2.27 0.00 0.00 64.05 61.62 1xpu n THR 406 Cb 0.29 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.45 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 0.43 2.23 0.23 -0.78 1.02 -1.26 -4.98 119.74 116.63 1xpu s LYS 407 Ca 0.00 -1.86 -0.07 0.00 0.02 0.00 0.00 55.97 54.05 1xpu s LYS 407 Cb 0.00 -1.98 0.39 0.00 -0.52 0.00 0.00 37.83 35.71 1xpu s LYS 407 CO 0.00 -0.15 1.69 1.79 -0.92 0.00 0.00 175.35 177.76 1xpu h THR 408 N 1.38 0.55 -0.74 2.17 1.35 -1.96 -1.51 112.91 114.15 1xpu h THR 408 Ca -0.42 -0.09 -0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1xpu h THR 408 Cb 1.26 0.28 -0.04 0.00 -1.73 0.00 0.00 68.15 67.92 1xpu h THR 408 CO 0.69 0.05 0.45 0.78 -0.25 0.00 0.00 175.52 177.24 1xpu h ASN 409 N 0.25 0.87 1.00 5.36 2.35 -2.02 -2.43 115.58 120.97 1xpu h ASN 409 Ca 0.37 -0.04 -0.21 0.00 -0.55 0.00 0.00 56.30 55.87 1xpu h ASN 409 Cb 0.60 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.73 1xpu h ASN 409 CO -0.48 0.66 -0.99 0.44 -1.65 0.00 0.00 177.43 175.42 1xpu h ASP 410 N 1.01 0.00 -1.33 5.81 3.32 -1.81 -3.33 116.42 120.09 1xpu h ASP 410 Ca 0.27 0.00 0.41 0.00 0.02 0.00 0.00 57.03 57.73 1xpu h ASP 410 Cb -0.06 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.38 1xpu h ASP 410 CO -0.05 0.99 0.89 -0.78 -1.72 0.00 0.00 179.24 178.56 1xpu h ASP 411 N 0.00 0.22 0.06 6.45 1.82 -0.77 -0.97 116.42 123.23 1xpu h ASP 411 Ca -0.01 0.09 -0.00 0.00 -0.39 0.00 0.00 57.03 56.72 1xpu h ASP 411 Cb 1.75 0.08 0.00 0.00 0.68 0.00 0.00 39.33 41.84 1xpu h ASP 411 CO 0.13 -0.09 -0.03 0.15 -1.61 0.00 0.00 179.24 177.79 1xpu h PHE 412 N 0.12 -0.07 -0.96 0.28 3.57 -1.67 -2.61 116.94 115.60 1xpu h PHE 412 Ca 0.76 -0.00 0.30 0.00 3.53 0.00 0.00 57.97 62.56 1xpu h PHE 412 Cb 2.49 0.02 -0.16 0.00 2.79 0.00 0.00 35.95 41.09 1xpu h PHE 412 CO -0.00 -0.04 0.29 0.74 -2.23 0.00 0.00 178.31 177.06 1xpu h PHE 413 N -0.23 0.41 -0.01 0.41 -1.00 -1.66 0.53 116.94 115.39 1xpu h PHE 413 Ca -0.01 0.05 -0.00 0.00 2.81 0.00 0.00 57.97 60.82 1xpu h PHE 413 Cb 0.06 -0.02 -0.00 0.00 3.61 0.00 0.00 35.95 39.59 1xpu h PHE 413 CO 0.05 -0.34 0.00 1.49 -1.61 0.00 0.00 178.31 177.90 1xpu h GLU 414 N 0.11 0.02 -0.65 1.51 4.57 -1.31 -3.06 114.58 115.77 1xpu h GLU 414 Ca 0.66 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.84 1xpu h GLU 414 Cb 1.49 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.08 1xpu h GLU 414 CO -0.76 0.19 0.00 -1.33 -1.18 0.00 0.00 179.01 175.93 1xpu n MET 415 N -4.99 3.24 0.04 1.92 2.81 0.10 -4.20 117.12 116.05 1xpu n MET 415 Ca -0.07 -2.09 -0.02 0.00 -1.81 0.00 0.00 57.70 53.70 1xpu n MET 415 Cb 0.11 -1.84 -0.01 0.00 -0.71 0.00 0.00 33.22 30.77 1xpu n MET 415 CO 0.00 0.00 0.00 1.98 1.51 0.00 0.00 175.97 179.46 1xpu h MET 416 N 2.86 -0.15 0.00 0.03 -1.53 0.06 -3.49 114.93 112.71 1xpu h MET 416 Ca 0.00 0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.27 1xpu h MET 416 Cb 1.27 0.03 0.00 0.00 -0.55 0.00 0.00 31.60 32.35 1xpu h MET 416 CO 0.24 -0.10 0.00 1.63 0.14 0.00 0.00 176.91 178.81