#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qpu s GLN 2 N 0.00 0.29 -0.04 1.57 0.74 -1.26 -4.97 119.66 115.99 2qpu s GLN 2 Ca 0.00 0.94 -0.02 0.00 0.05 0.00 0.00 55.36 56.33 2qpu s GLN 2 Cb 0.00 0.20 0.03 0.00 1.10 0.00 0.00 33.01 34.34 2qpu s GLN 2 CO 0.00 -0.29 0.06 0.08 -0.55 0.00 0.00 175.29 174.59 2qpu s VAL 3 N 2.57 -0.10 0.44 1.34 1.01 -1.26 -4.46 120.40 119.94 2qpu s VAL 3 Ca -0.00 0.41 -0.03 0.00 0.00 0.00 0.00 61.98 62.36 2qpu s VAL 3 Cb -0.12 -0.15 -0.03 0.00 0.00 0.00 0.00 36.38 36.08 2qpu s VAL 3 CO -0.12 0.17 0.70 -0.76 0.00 0.00 0.00 175.10 175.09 2qpu s LEU 4 N 2.08 3.74 -0.11 3.92 1.02 0.21 -0.80 118.68 128.74 2qpu s LEU 4 Ca 0.04 0.67 -0.04 0.00 0.02 0.00 0.00 54.13 54.82 2qpu s LEU 4 Cb -0.12 -3.57 0.06 0.00 0.02 0.00 0.00 46.19 42.57 2qpu s LEU 4 CO -0.03 -0.52 0.23 0.12 0.02 0.00 0.00 176.35 176.16 2qpu s PHE 5 N -2.59 -0.34 -0.55 0.29 2.19 -0.35 -0.68 117.98 115.96 2qpu s PHE 5 Ca 0.45 0.84 -0.27 0.00 0.33 0.00 0.00 56.93 58.28 2qpu s PHE 5 Cb -0.10 -0.10 0.03 0.00 -1.31 0.00 0.00 43.02 41.54 2qpu s PHE 5 CO 0.41 -0.32 1.11 -1.14 1.83 0.00 0.00 175.22 177.11 2qpu s GLN 6 N 2.27 3.51 -0.18 10.12 0.74 0.78 -0.35 119.66 136.56 2qpu s GLN 6 Ca 0.01 0.19 -0.03 0.00 0.05 0.00 0.00 55.36 55.58 2qpu s GLN 6 Cb -0.12 -4.00 0.01 0.00 1.10 0.00 0.00 33.01 30.00 2qpu s GLN 6 CO -0.08 -1.55 2.56 0.41 -0.55 0.00 0.00 175.29 176.08 2qpu n GLY 7 N 5.03 3.44 3.60 2.59 0.00 0.39 -1.88 105.19 118.36 2qpu n GLY 7 Ca 0.07 -0.98 0.01 0.00 0.00 0.00 0.00 46.02 45.12 2qpu n GLY 7 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qpu s PHE 8 N -0.61 -0.02 0.24 1.61 -0.71 -1.26 -4.81 117.98 112.42 2qpu s PHE 8 Ca 0.37 -0.00 0.05 0.00 -1.04 0.00 0.00 56.93 56.30 2qpu s PHE 8 Cb 0.22 0.51 -0.02 0.00 -1.21 0.00 0.00 43.02 42.52 2qpu s PHE 8 CO -0.05 -0.05 0.16 0.27 -1.34 0.00 0.00 175.22 174.22 2qpu n ASN 9 N -0.30 -0.04 0.10 1.98 0.23 -1.26 -4.63 115.26 111.33 2qpu n ASN 9 Ca -0.04 -2.47 0.10 0.00 -0.53 0.00 0.00 54.58 51.65 2qpu n ASN 9 Cb 0.61 1.01 0.44 0.00 -2.08 0.00 0.00 39.78 39.76 2qpu n ASN 9 CO 0.00 0.00 0.00 1.87 -0.93 0.00 0.00 177.26 178.20 2qpu n TRP 10 N -0.48 0.59 0.81 -2.53 -0.00 -1.26 -2.69 117.44 111.87 2qpu n TRP 10 Ca 0.03 0.23 0.08 0.00 -0.00 0.00 0.00 57.50 57.84 2qpu n TRP 10 Cb 0.41 -0.87 -0.06 0.00 -0.00 0.00 0.00 31.31 30.78 2qpu n TRP 10 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 177.69 178.08 2qpu n GLU 11 N -2.04 1.42 -0.33 5.87 -0.58 -1.26 -4.67 120.64 119.06 2qpu n GLU 11 Ca 0.02 -0.35 0.24 0.00 -0.42 0.00 0.00 57.16 56.65 2qpu n GLU 11 Cb 0.21 -1.32 0.52 0.00 -0.57 0.00 0.00 31.44 30.28 2qpu n GLU 11 CO 0.00 0.00 0.00 0.77 -0.48 0.00 0.00 177.13 177.42 2qpu h SER 12 N 0.81 0.43 0.15 1.62 0.02 -1.91 -1.20 113.55 113.47 2qpu h SER 12 Ca 0.00 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2qpu h SER 12 Cb 0.49 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.05 2qpu h SER 12 CO 0.00 0.06 -0.00 4.11 -1.14 0.00 0.00 176.83 179.85 2qpu h TRP 13 N 0.36 0.00 0.00 3.45 5.08 -1.83 -1.70 115.95 121.32 2qpu h TRP 13 Ca 0.62 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.59 2qpu h TRP 13 Cb 1.61 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.77 2qpu h TRP 13 CO -0.00 0.00 -0.23 1.63 -1.28 0.00 0.00 178.44 178.56 2qpu n LYS 14 N -3.15 0.03 -1.70 0.12 5.02 -0.45 -4.71 118.16 113.32 2qpu n LYS 14 Ca -0.02 0.01 -0.57 0.00 -2.02 0.00 0.00 58.31 55.71 2qpu n LYS 14 Cb 0.11 -1.52 -0.07 0.00 -0.02 0.00 0.00 35.03 33.52 2qpu n LYS 14 CO 0.00 0.00 0.00 0.94 -0.52 0.00 0.00 177.40 177.82 2qpu n GLN 15 N -1.56 1.13 -1.69 1.97 -0.06 -0.64 -4.87 117.38 111.66 2qpu n GLN 15 Ca 0.06 0.41 -0.44 0.00 -2.00 0.00 0.00 57.00 55.04 2qpu n GLN 15 Cb 0.35 -2.09 -0.04 0.00 -4.06 0.00 0.00 30.24 24.40 2qpu n GLN 15 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 2qpu n SER 16 N 5.09 3.65 0.00 1.69 2.88 -1.26 -1.20 113.62 124.48 2qpu n SER 16 Ca 0.26 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.85 2qpu n SER 16 Cb 0.13 -1.51 0.00 0.00 -0.75 0.00 0.00 64.21 62.09 2qpu n SER 16 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2qpu n GLY 17 N 3.84 1.57 0.00 0.46 0.00 -1.26 -4.83 105.19 104.97 2qpu n GLY 17 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2qpu n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qpu n GLY 18 N -2.00 1.97 0.14 -0.02 0.00 -0.34 -4.63 105.19 100.32 2qpu n GLY 18 Ca 0.00 -1.46 -0.10 0.00 0.00 0.00 0.00 46.02 44.46 2qpu n GLY 18 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2qpu h TRP 19 N 0.00 0.40 -0.67 1.61 2.91 -1.65 -1.78 115.95 116.78 2qpu h TRP 19 Ca 0.00 -0.04 0.00 0.00 1.13 0.00 0.00 58.89 59.99 2qpu h TRP 19 Cb 0.00 -0.12 -0.03 0.00 -0.51 0.00 0.00 29.16 28.50 2qpu h TRP 19 CO 0.00 0.44 0.43 1.88 -1.03 0.00 0.00 178.44 180.16 2qpu h TYR 20 N 0.24 0.85 -0.82 2.65 0.05 -1.87 0.05 116.97 118.12 2qpu h TYR 20 Ca 0.08 0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.88 2qpu h TYR 20 Cb 0.23 -0.29 -0.04 0.00 1.01 0.00 0.00 36.73 37.64 2qpu h TYR 20 CO 0.00 0.55 0.53 -0.91 -1.05 0.00 0.00 178.16 177.28 2qpu h ASN 21 N 0.91 0.94 -0.52 3.88 2.35 -1.78 -1.23 115.58 120.12 2qpu h ASN 21 Ca 0.24 -0.03 -0.09 0.00 -0.55 0.00 0.00 56.30 55.87 2qpu h ASN 21 Cb -0.09 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.03 2qpu h ASN 21 CO -0.05 0.69 -0.04 -0.03 -1.65 0.00 0.00 177.43 176.34 2qpu h MET 22 N 1.11 0.95 0.00 0.81 4.05 -0.47 -2.82 114.93 118.56 2qpu h MET 22 Ca 0.30 -0.33 -0.04 0.00 -0.28 0.00 0.00 59.70 59.35 2qpu h MET 22 Cb -0.12 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.60 2qpu h MET 22 CO -0.06 0.99 -0.19 0.52 0.23 0.00 0.00 176.91 178.40 2qpu h MET 23 N 0.82 0.00 -0.95 0.39 2.86 -0.16 -2.48 114.93 115.41 2qpu h MET 23 Ca 0.14 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 57.94 2qpu h MET 23 Cb 0.59 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.16 2qpu h MET 23 CO 0.04 0.19 0.60 0.52 1.06 0.00 0.00 176.91 179.32 2qpu h MET 24 N 0.00 0.75 0.00 1.72 2.07 -0.99 0.20 114.93 118.69 2qpu h MET 24 Ca -0.00 -0.05 0.00 0.00 -2.07 0.00 0.00 59.70 57.58 2qpu h MET 24 Cb 0.37 -0.17 0.00 0.00 -1.87 0.00 0.00 31.60 29.93 2qpu h MET 24 CO 0.02 0.50 0.00 0.41 1.07 0.00 0.00 176.91 178.91 2qpu n GLY 25 N -1.39 -1.08 0.00 8.32 0.00 -0.93 -3.26 105.19 106.85 2qpu n GLY 25 Ca 0.19 -0.18 0.07 0.00 0.00 0.00 0.00 46.02 46.10 2qpu n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qpu n LYS 26 N -1.09 1.92 -0.16 1.61 4.76 0.66 -4.67 118.16 121.20 2qpu n LYS 26 Ca 0.21 -0.03 -0.02 0.00 -2.87 0.00 0.00 58.31 55.60 2qpu n LYS 26 Cb 0.15 -1.20 0.07 0.00 -1.84 0.00 0.00 35.03 32.21 2qpu n LYS 26 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2qpu h VAL 27 N 0.00 0.65 -0.38 -0.18 2.07 -1.40 -0.81 116.25 116.20 2qpu h VAL 27 Ca 0.00 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.49 2qpu h VAL 27 Cb 0.41 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 2qpu h VAL 27 CO 0.00 0.03 0.17 0.44 0.02 0.00 0.00 177.57 178.24 2qpu h ASP 28 N 0.18 0.24 -0.50 0.57 3.45 -1.83 -0.24 116.42 118.29 2qpu h ASP 28 Ca 0.26 0.02 -0.05 0.00 0.43 0.00 0.00 57.03 57.69 2qpu h ASP 28 Cb 0.38 -0.02 -0.02 0.00 -0.56 0.00 0.00 39.33 39.11 2qpu h ASP 28 CO -0.38 0.18 0.11 0.44 -1.57 0.00 0.00 179.24 178.02 2qpu h ASP 29 N 0.36 0.77 -0.13 6.45 3.32 -1.76 -0.73 116.42 124.69 2qpu h ASP 29 Ca 0.16 -0.24 0.01 0.00 0.02 0.00 0.00 57.03 56.98 2qpu h ASP 29 Cb 0.09 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2qpu h ASP 29 CO -0.13 0.81 0.06 0.40 -1.72 0.00 0.00 179.24 178.67 2qpu h ILE 30 N 0.69 1.00 -0.18 0.35 2.04 -0.84 -0.94 117.51 119.63 2qpu h ILE 30 Ca 0.16 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 65.96 2qpu h ILE 30 Cb 0.35 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 2qpu h ILE 30 CO 0.00 0.03 0.07 0.00 0.00 0.00 0.00 178.15 178.25 2qpu h ALA 31 N 1.07 0.23 0.00 1.87 0.00 -0.95 -2.71 119.26 118.76 2qpu h ALA 31 Ca 0.05 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2qpu h ALA 31 Cb 0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 2qpu h ALA 31 CO -0.04 -0.17 -0.02 0.00 0.00 0.00 0.00 179.25 179.02 2qpu h ALA 32 N 0.90 1.88 0.00 0.00 0.00 -1.01 -1.30 119.26 119.72 2qpu h ALA 32 Ca 0.06 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2qpu h ALA 32 Cb 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2qpu h ALA 32 CO -0.00 0.03 0.00 0.00 0.00 0.00 0.00 179.25 179.28 2qpu h ALA 33 N 1.98 1.00 0.00 0.00 0.00 -0.85 -3.46 119.26 117.92 2qpu h ALA 33 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qpu h ALA 33 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 2qpu h ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2qpu n GLY 34 N 0.07 1.03 3.75 0.00 0.00 -0.49 -4.51 105.19 105.03 2qpu n GLY 34 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2qpu n GLY 34 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qpu s VAL 35 N -2.00 3.49 -0.06 1.61 1.01 -1.14 -4.58 120.40 118.73 2qpu s VAL 35 Ca 0.00 1.37 0.12 0.00 0.00 0.00 0.00 61.98 63.47 2qpu s VAL 35 Cb 0.00 -3.87 -0.18 0.00 0.00 0.00 0.00 36.38 32.32 2qpu s VAL 35 CO 0.00 0.28 0.19 0.35 0.00 0.00 0.00 175.10 175.92 2qpu n THR 36 N 1.80 0.32 -3.80 3.92 -2.24 0.02 -4.72 114.28 109.58 2qpu n THR 36 Ca 0.02 -0.38 -0.13 0.00 -2.27 0.00 0.00 64.05 61.28 2qpu n THR 36 Cb 0.45 -0.14 -0.15 0.00 -2.10 0.00 0.00 70.33 68.39 2qpu n THR 36 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2qpu s HIS 37 N -2.67 -0.04 -0.18 4.78 3.76 -1.12 -0.91 115.29 118.91 2qpu s HIS 37 Ca -0.05 0.19 -0.01 0.00 -0.15 0.00 0.00 55.06 55.04 2qpu s HIS 37 Cb 0.07 -0.10 -0.00 0.00 1.11 0.00 0.00 32.58 33.66 2qpu s HIS 37 CO 0.53 -0.07 -0.12 0.08 -0.85 0.00 0.00 174.74 174.30 2qpu s VAL 38 N 0.63 2.86 -0.28 -0.90 1.01 -0.08 -1.21 120.40 122.42 2qpu s VAL 38 Ca -0.05 -0.69 -0.23 0.00 0.00 0.00 0.00 61.98 61.02 2qpu s VAL 38 Cb -0.07 -2.24 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 2qpu s VAL 38 CO -0.02 0.49 0.75 0.86 0.00 0.00 0.00 175.10 177.18 2qpu s TRP 39 N 1.07 3.24 0.18 5.22 -0.00 0.53 -0.46 118.94 128.72 2qpu s TRP 39 Ca -0.00 0.86 0.05 0.00 -0.00 0.00 0.00 56.10 57.01 2qpu s TRP 39 Cb -0.15 -3.08 -0.04 0.00 -0.00 0.00 0.00 33.47 30.20 2qpu s TRP 39 CO -0.03 -0.48 0.16 -0.51 -0.00 0.00 0.00 176.95 176.09 2qpu s LEU 40 N 2.81 3.83 0.95 5.86 1.43 0.56 -0.46 118.68 133.66 2qpu s LEU 40 Ca 0.31 -0.14 -0.12 0.00 -1.03 0.00 0.00 54.13 53.15 2qpu s LEU 40 Cb -0.15 -2.42 0.16 0.00 0.03 0.00 0.00 46.19 43.81 2qpu s LEU 40 CO 0.11 0.04 1.09 -2.16 0.23 0.00 0.00 176.35 175.66 2qpu s PRO 41 N -3.28 0.85 -0.09 1.29 0.04 -1.26 -2.01 135.00 130.54 2qpu s PRO 41 Ca 0.31 0.68 -0.36 0.00 0.04 0.00 0.00 61.00 61.67 2qpu s PRO 41 Cb -0.10 -1.77 -0.13 0.00 0.04 0.00 0.00 34.50 32.54 2qpu s PRO 41 CO 0.24 -2.48 1.77 -2.30 0.04 0.00 0.00 177.00 174.27 2qpu n PRO 42 N -4.03 1.84 0.00 0.56 -0.02 -1.26 -4.22 135.00 127.87 2qpu n PRO 42 Ca 0.06 0.67 0.13 0.00 -2.02 0.00 0.00 63.50 62.34 2qpu n PRO 42 Cb 0.56 -2.45 0.44 0.00 -0.02 0.00 0.00 33.50 32.03 2qpu n PRO 42 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2qpu n PRO 43 N 5.62 0.02 -2.66 0.52 -0.04 -1.26 -4.80 135.00 132.40 2qpu n PRO 43 Ca 0.23 -0.01 -0.23 0.00 -0.04 0.00 0.00 63.50 63.44 2qpu n PRO 43 Cb 0.24 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 32.23 2qpu n PRO 43 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2qpu s SER 44 N -2.98 5.49 0.34 3.54 0.01 -1.26 -4.44 113.70 114.40 2qpu s SER 44 Ca 0.13 0.30 -0.27 0.00 1.31 0.00 0.00 55.95 57.42 2qpu s SER 44 Cb 0.18 -1.32 -0.13 0.00 0.21 0.00 0.00 66.02 64.97 2qpu s SER 44 CO 0.61 -1.02 1.11 1.57 0.41 0.00 0.00 173.24 175.92 2qpu n HIS 45 N -2.36 1.61 -3.80 2.43 -0.00 -0.61 -4.55 115.22 107.94 2qpu n HIS 45 Ca 0.05 0.62 -0.12 0.00 -0.00 0.00 0.00 57.72 58.26 2qpu n HIS 45 Cb 0.59 -2.30 -0.10 0.00 -0.00 0.00 0.00 29.99 28.17 2qpu n HIS 45 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 2qpu s SER 46 N -0.51 -0.17 0.29 0.26 0.15 -1.26 -1.88 113.70 110.57 2qpu s SER 46 Ca 0.58 0.22 0.01 0.00 0.70 0.00 0.00 55.95 57.47 2qpu s SER 46 Cb -0.62 0.39 0.43 0.00 -1.71 0.00 0.00 66.02 64.50 2qpu s SER 46 CO 0.60 -0.25 1.76 0.58 1.20 0.00 0.00 173.24 177.14 2qpu h VAL 47 N 4.41 1.24 -2.99 4.45 2.07 -1.35 -3.42 116.25 120.66 2qpu h VAL 47 Ca -0.28 -1.08 -0.61 0.00 0.82 0.00 0.00 66.70 65.55 2qpu h VAL 47 Cb 1.19 1.13 -0.05 0.00 -1.52 0.00 0.00 31.29 32.03 2qpu h VAL 47 CO 0.38 0.36 -0.29 -0.94 0.02 0.00 0.00 177.57 177.09 2qpu s SER 48 N -6.75 6.63 0.39 0.57 1.04 -1.26 -5.01 113.70 109.31 2qpu s SER 48 Ca -0.08 0.75 0.08 0.00 0.48 0.00 0.00 55.95 57.18 2qpu s SER 48 Cb 0.14 -2.16 0.83 0.00 0.10 0.00 0.00 66.02 64.93 2qpu s SER 48 CO 0.79 0.25 1.98 0.78 0.98 0.00 0.00 173.24 178.03 2qpu h ASN 49 N 4.14 0.56 0.94 7.02 2.35 -1.99 -2.18 115.58 126.43 2qpu h ASN 49 Ca -0.50 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.25 2qpu h ASN 49 Cb 1.20 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.45 2qpu h ASN 49 CO 0.64 0.37 0.00 -0.62 -1.65 0.00 0.00 177.43 176.17 2qpu n GLU 50 N -4.48 0.23 -0.11 0.81 4.71 -1.26 -4.59 120.64 115.94 2qpu n GLU 50 Ca 0.09 0.38 0.00 0.00 -0.01 0.00 0.00 57.16 57.62 2qpu n GLU 50 Cb 0.23 -1.88 0.00 0.00 -1.01 0.00 0.00 31.44 28.78 2qpu n GLU 50 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2qpu n GLY 51 N 0.34 0.55 0.42 0.62 0.00 -0.82 -4.59 105.19 101.71 2qpu n GLY 51 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.07 2qpu n GLY 51 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2qpu n TYR 52 N -2.00 0.27 -3.12 1.61 4.01 -1.26 -3.79 117.16 112.88 2qpu n TYR 52 Ca 0.00 -0.12 -0.21 0.00 -0.16 0.00 0.00 57.90 57.41 2qpu n TYR 52 Cb 0.00 -0.05 -0.04 0.00 -0.31 0.00 0.00 39.34 38.95 2qpu n TYR 52 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 2qpu n MET 53 N 0.01 1.71 -1.72 -0.72 2.81 -1.26 -5.02 117.12 112.92 2qpu n MET 53 Ca 0.05 -3.87 -0.39 0.00 -1.81 0.00 0.00 57.70 51.69 2qpu n MET 53 Cb 0.21 -1.86 0.04 0.00 -0.71 0.00 0.00 33.22 30.90 2qpu n MET 53 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 2qpu n PRO 54 N 0.18 1.57 0.00 0.03 -0.04 -1.25 -0.92 135.00 134.57 2qpu n PRO 54 Ca 0.27 0.58 0.00 0.00 -0.04 0.00 0.00 63.50 64.31 2qpu n PRO 54 Cb 0.56 -2.49 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 2qpu n PRO 54 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qpu n GLY 55 N 0.85 0.27 3.53 0.55 0.00 -0.79 0.21 105.19 109.81 2qpu n GLY 55 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2qpu n GLY 55 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qpu s ARG 56 N 0.00 3.57 0.40 1.61 0.52 -1.25 -4.78 118.95 119.03 2qpu s ARG 56 Ca 0.00 -1.26 0.13 0.00 -0.52 0.00 0.00 55.73 54.08 2qpu s ARG 56 Cb 0.00 -5.19 0.96 0.00 0.52 0.00 0.00 34.95 31.24 2qpu s ARG 56 CO 0.00 -2.08 1.91 -0.07 0.02 0.00 0.00 175.30 175.07 2qpu h LEU 57 N 12.14 0.49 0.00 2.53 3.38 -1.74 -0.96 115.31 131.15 2qpu h LEU 57 Ca 0.17 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2qpu h LEU 57 Cb 1.02 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2qpu h LEU 57 CO 1.33 0.26 -0.14 -1.22 0.09 0.00 0.00 178.44 178.77 2qpu n TYR 58 N -4.50 0.41 -2.47 1.13 4.01 0.00 -4.50 117.16 111.24 2qpu n TYR 58 Ca 0.15 0.12 -0.43 0.00 -0.16 0.00 0.00 57.90 57.58 2qpu n TYR 58 Cb 0.49 -0.65 0.00 0.00 -0.31 0.00 0.00 39.34 38.86 2qpu n TYR 58 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2qpu n ASP 59 N -1.86 4.81 0.10 7.72 -0.08 -0.37 -4.71 116.55 122.16 2qpu n ASP 59 Ca 0.06 -2.94 -0.05 0.00 -1.51 0.00 0.00 54.79 50.35 2qpu n ASP 59 Cb 0.39 -1.66 0.12 0.00 2.34 0.00 0.00 41.12 42.31 2qpu n ASP 59 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 2qpu h ILE 60 N 4.80 1.41 0.00 5.18 1.08 -1.79 -1.61 117.51 126.59 2qpu h ILE 60 Ca 0.44 -2.08 0.00 0.00 -0.39 0.00 0.00 64.86 62.82 2qpu h ILE 60 Cb 0.79 2.08 0.00 0.00 -3.07 0.00 0.00 36.82 36.63 2qpu h ILE 60 CO 1.52 0.61 0.00 0.44 -0.69 0.00 0.00 178.15 180.03 2qpu h ASP 61 N 0.13 0.00 0.79 1.72 3.32 -1.84 -2.17 116.42 118.36 2qpu h ASP 61 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2qpu h ASP 61 Cb 1.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.70 2qpu h ASP 61 CO 0.10 0.00 -0.19 0.00 -1.72 0.00 0.00 179.24 177.42 2qpu n ALA 62 N -2.08 2.80 -1.77 3.45 0.00 -1.17 -4.53 120.51 117.21 2qpu n ALA 62 Ca -0.02 -0.20 -0.40 0.00 0.00 0.00 0.00 53.44 52.82 2qpu n ALA 62 Cb 0.11 -1.33 0.01 0.00 0.00 0.00 0.00 19.45 18.23 2qpu n ALA 62 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2qpu s SER 63 N -2.98 6.12 0.51 0.00 0.15 -0.82 -4.75 113.70 111.94 2qpu s SER 63 Ca 0.13 2.89 0.30 0.00 0.70 0.00 0.00 55.95 59.97 2qpu s SER 63 Cb 0.18 -2.65 1.22 0.00 -1.71 0.00 0.00 66.02 63.06 2qpu s SER 63 CO 0.59 -1.00 1.94 0.11 1.20 0.00 0.00 173.24 176.08 2qpu h LYS 64 N 2.62 0.00 0.00 5.44 1.79 -1.90 -3.03 116.57 121.49 2qpu h LYS 64 Ca -0.50 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 57.87 2qpu h LYS 64 Cb 1.25 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.89 2qpu h LYS 64 CO 0.62 0.09 -0.43 1.88 -1.08 0.00 0.00 179.45 180.53 2qpu h TYR 65 N 0.00 0.00 0.00 -1.35 0.05 -1.87 -3.44 116.97 110.36 2qpu h TYR 65 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2qpu h TYR 65 Cb 0.58 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.32 2qpu h TYR 65 CO 0.00 0.43 0.00 0.41 -1.05 0.00 0.00 178.16 177.95 2qpu n GLY 66 N 0.35 2.86 2.47 3.88 0.00 -1.14 -2.38 105.19 111.22 2qpu n GLY 66 Ca -0.00 -1.41 -0.16 0.00 0.00 0.00 0.00 46.02 44.45 2qpu n GLY 66 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2qpu n ASN 67 N 0.00 0.63 -0.36 1.61 0.23 -1.26 -4.31 115.26 111.80 2qpu n ASN 67 Ca 0.00 -1.60 -0.03 0.00 -0.53 0.00 0.00 54.58 52.42 2qpu n ASN 67 Cb 0.00 -0.48 0.10 0.00 -2.08 0.00 0.00 39.78 37.32 2qpu n ASN 67 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2qpu h ALA 68 N -0.93 1.21 -0.26 -2.53 0.00 -1.89 -1.17 119.26 113.69 2qpu h ALA 68 Ca -0.23 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2qpu h ALA 68 Cb 0.77 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2qpu h ALA 68 CO 0.22 0.62 0.17 0.00 0.00 0.00 0.00 179.25 180.26 2qpu h ALA 69 N 1.34 0.33 -0.14 0.00 0.00 -1.96 0.37 119.26 119.20 2qpu h ALA 69 Ca 0.35 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.13 2qpu h ALA 69 Cb -0.13 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2qpu h ALA 69 CO -0.07 -0.20 -0.40 0.93 0.00 0.00 0.00 179.25 179.51 2qpu h GLU 70 N 0.35 0.30 -0.22 0.00 5.08 -1.86 -1.59 114.58 116.64 2qpu h GLU 70 Ca 0.09 -0.14 -0.11 0.00 -1.00 0.00 0.00 59.36 58.20 2qpu h GLU 70 Cb -0.04 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 2qpu h GLU 70 CO -0.02 0.65 -0.29 1.25 -1.00 0.00 0.00 179.01 179.60 2qpu h LEU 71 N 0.25 0.63 -1.14 1.33 5.85 -0.89 -2.10 115.31 119.25 2qpu h LEU 71 Ca 0.02 -0.51 -0.05 0.00 0.84 0.00 0.00 57.88 58.18 2qpu h LEU 71 Cb 0.82 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 2qpu h LEU 71 CO 0.06 1.02 0.03 0.11 -0.34 0.00 0.00 178.44 179.32 2qpu h LYS 72 N 0.26 0.63 -0.53 1.25 1.57 -0.82 0.01 116.57 118.95 2qpu h LYS 72 Ca 0.02 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.62 2qpu h LYS 72 Cb 0.87 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 2qpu h LYS 72 CO 0.07 0.63 0.14 0.77 -0.57 0.00 0.00 179.45 180.49 2qpu h SER 73 N 0.61 0.79 -0.20 0.86 0.02 -1.18 0.45 113.55 114.90 2qpu h SER 73 Ca 0.13 -0.22 -0.03 0.00 -0.84 0.00 0.00 61.79 60.83 2qpu h SER 73 Cb 0.34 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 2qpu h SER 73 CO 0.01 0.81 0.01 0.25 -1.14 0.00 0.00 176.83 176.77 2qpu h LEU 74 N 0.74 0.33 -1.02 5.07 5.85 -0.78 -1.46 115.31 124.04 2qpu h LEU 74 Ca 0.17 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 2qpu h LEU 74 Cb 0.32 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 2qpu h LEU 74 CO -0.00 0.55 0.20 0.40 -0.34 0.00 0.00 178.44 179.24 2qpu h ILE 75 N 0.11 1.23 -0.44 4.05 2.04 -0.93 -1.17 117.51 122.40 2qpu h ILE 75 Ca 0.06 -0.77 -0.08 0.00 1.00 0.00 0.00 64.86 65.07 2qpu h ILE 75 Cb 0.37 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 2qpu h ILE 75 CO 0.01 0.30 -0.06 1.23 0.00 0.00 0.00 178.15 179.62 2qpu h GLY 76 N 1.00 0.81 1.07 5.37 0.00 -0.75 -0.98 103.07 109.60 2qpu h GLY 76 Ca 0.20 -0.58 -0.12 0.00 0.00 0.00 0.00 47.33 46.84 2qpu h GLY 76 CO -0.01 0.53 -0.17 0.00 0.00 0.00 0.00 176.54 176.89 2qpu h ALA 77 N 1.24 0.65 -0.13 3.60 0.00 -0.74 -1.05 119.26 122.83 2qpu h ALA 77 Ca 0.13 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 2qpu h ALA 77 Cb 0.52 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2qpu h ALA 77 CO 0.03 0.60 0.06 -0.07 0.00 0.00 0.00 179.25 179.87 2qpu h LEU 78 N 0.78 0.17 -1.41 0.00 3.38 -0.92 -2.61 115.31 114.71 2qpu h LEU 78 Ca 0.11 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2qpu h LEU 78 Cb 0.73 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 2qpu h LEU 78 CO 0.06 0.24 0.42 0.45 0.09 0.00 0.00 178.44 179.69 2qpu h HIS 79 N 0.08 0.75 0.00 1.13 3.86 -1.08 0.20 115.15 120.10 2qpu h HIS 79 Ca 0.04 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.26 2qpu h HIS 79 Cb 0.11 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.33 2qpu h HIS 79 CO -0.03 0.45 -0.08 0.78 0.86 0.00 0.00 177.93 179.92 2qpu h GLY 80 N 0.79 0.00 -2.44 2.45 0.00 -0.81 -1.01 103.07 102.05 2qpu h GLY 80 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 2qpu h GLY 80 CO -0.06 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.76 2qpu n LYS 81 N -3.70 2.65 -1.06 4.80 4.76 -0.29 -4.95 118.16 120.38 2qpu n LYS 81 Ca -0.02 -2.49 -0.02 0.00 -2.87 0.00 0.00 58.31 52.91 2qpu n LYS 81 Cb 0.18 -1.52 -0.01 0.00 -1.84 0.00 0.00 35.03 31.84 2qpu n LYS 81 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qpu n GLY 82 N 1.49 0.54 3.66 0.72 0.00 -0.38 -4.98 105.19 106.24 2qpu n GLY 82 Ca 0.22 -0.96 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 2qpu n GLY 82 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qpu s VAL 83 N -2.07 4.64 0.58 1.61 1.01 -0.10 -4.94 120.40 121.14 2qpu s VAL 83 Ca 0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 61.98 61.82 2qpu s VAL 83 Cb 0.00 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.35 2qpu s VAL 83 CO 0.00 0.53 0.90 -1.10 0.00 0.00 0.00 175.10 175.42 2qpu s GLN 84 N -0.17 2.98 -0.11 2.72 -0.21 -0.09 -3.01 119.66 121.77 2qpu s GLN 84 Ca 0.07 0.03 0.03 0.00 0.02 0.00 0.00 55.36 55.50 2qpu s GLN 84 Cb -0.12 -2.27 0.01 0.00 1.00 0.00 0.00 33.01 31.62 2qpu s GLN 84 CO 0.02 -0.66 -0.22 0.00 -2.12 0.00 0.00 175.29 172.30 2qpu s ALA 85 N -2.98 2.15 -0.17 6.09 0.00 -1.26 -0.90 121.76 124.68 2qpu s ALA 85 Ca 0.53 -0.99 -0.05 0.00 0.00 0.00 0.00 51.96 51.45 2qpu s ALA 85 Cb -0.11 -0.88 -0.03 0.00 0.00 0.00 0.00 23.12 22.11 2qpu s ALA 85 CO 0.45 0.14 0.00 0.42 0.00 0.00 0.00 175.76 176.78 2qpu s ILE 86 N 0.57 4.21 -0.11 0.00 1.01 0.39 -0.81 121.20 126.47 2qpu s ILE 86 Ca -0.14 -0.24 -0.09 0.00 0.00 0.00 0.00 60.65 60.18 2qpu s ILE 86 Cb -0.17 -2.88 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 2qpu s ILE 86 CO 0.04 0.47 0.20 0.00 0.00 0.00 0.00 174.94 175.65 2qpu s ALA 87 N 0.46 3.80 -0.47 9.38 0.00 -0.28 -0.32 121.76 134.33 2qpu s ALA 87 Ca -0.01 -0.55 -0.29 0.00 0.00 0.00 0.00 51.96 51.11 2qpu s ALA 87 Cb -0.14 -2.11 0.03 0.00 0.00 0.00 0.00 23.12 20.90 2qpu s ALA 87 CO 0.02 0.50 1.18 0.34 0.00 0.00 0.00 175.76 177.80 2qpu s ASP 88 N -0.75 6.58 -0.39 0.00 -1.08 -0.85 -1.27 116.67 118.91 2qpu s ASP 88 Ca 0.16 0.51 -0.17 0.00 -0.52 0.00 0.00 52.55 52.53 2qpu s ASP 88 Cb -0.13 -2.55 0.01 0.00 -1.46 0.00 0.00 42.92 38.79 2qpu s ASP 88 CO 0.05 -1.29 0.42 -0.63 0.52 0.00 0.00 175.17 174.24 2qpu s ILE 89 N 4.63 5.10 -0.50 4.11 -1.09 0.35 -4.01 121.20 129.80 2qpu s ILE 89 Ca 0.50 -0.16 -0.07 0.00 -2.23 0.00 0.00 60.65 58.69 2qpu s ILE 89 Cb -0.08 -3.96 0.13 0.00 -1.58 0.00 0.00 42.46 36.96 2qpu s ILE 89 CO 0.32 -0.30 0.35 -0.69 -1.23 0.00 0.00 174.94 173.39 2qpu s VAL 90 N 2.13 4.02 0.00 2.92 1.01 -1.26 -1.35 120.40 127.86 2qpu s VAL 90 Ca 0.13 -2.03 0.00 0.00 0.00 0.00 0.00 61.98 60.08 2qpu s VAL 90 Cb -0.17 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.56 2qpu s VAL 90 CO 0.13 -0.78 0.63 2.30 0.00 0.00 0.00 175.10 177.38 2qpu n ILE 91 N 4.62 0.40 -0.16 2.22 -5.35 -1.26 -4.75 119.36 115.08 2qpu n ILE 91 Ca -0.04 -0.49 -0.11 0.00 -0.27 0.00 0.00 62.75 61.84 2qpu n ILE 91 Cb 0.41 0.93 -0.00 0.00 -1.74 0.00 0.00 39.64 39.24 2qpu n ILE 91 CO 0.00 0.00 0.00 -1.13 -1.76 0.00 0.00 176.55 173.66 2qpu h ASN 92 N 0.00 0.94 -4.14 7.28 -1.24 -1.88 -3.43 115.58 113.11 2qpu h ASN 92 Ca 0.00 -0.37 -0.38 0.00 0.71 0.00 0.00 56.30 56.26 2qpu h ASN 92 Cb 0.55 -0.26 -0.14 0.00 0.73 0.00 0.00 38.32 39.20 2qpu h ASN 92 CO 0.00 1.10 -0.62 -1.38 -1.29 0.00 0.00 177.43 175.24 2qpu s HIS 93 N -4.76 1.63 -0.17 0.67 -3.43 -1.26 -1.02 115.29 106.94 2qpu s HIS 93 Ca -0.12 -1.09 -0.28 0.00 -0.80 0.00 0.00 55.06 52.77 2qpu s HIS 93 Cb 0.12 -0.98 0.08 0.00 -1.43 0.00 0.00 32.58 30.37 2qpu s HIS 93 CO 0.85 -0.22 0.78 0.50 -2.00 0.00 0.00 174.74 174.66 2qpu s ARG 94 N -3.98 0.85 -0.06 -0.38 3.52 -0.58 -4.76 118.95 113.57 2qpu s ARG 94 Ca 0.36 0.54 -0.13 0.00 -0.13 0.00 0.00 55.73 56.36 2qpu s ARG 94 Cb 0.08 0.41 -0.05 0.00 -1.56 0.00 0.00 34.95 33.82 2qpu s ARG 94 CO 0.13 -0.20 0.33 0.00 -0.81 0.00 0.00 175.30 174.75 2qpu s ALA 96 N -0.69 3.60 0.31 0.00 0.00 -1.26 -4.32 121.76 119.40 2qpu s ALA 96 Ca 0.21 -0.32 0.14 0.00 0.00 0.00 0.00 51.96 51.99 2qpu s ALA 96 Cb -0.15 -2.44 0.67 0.00 0.00 0.00 0.00 23.12 21.19 2qpu s ALA 96 CO 0.09 0.20 1.77 -0.44 0.00 0.00 0.00 175.76 177.38 2qpu h ASP 97 N 6.06 0.00 -2.99 0.00 5.19 -1.83 -3.44 116.42 119.41 2qpu h ASP 97 Ca -0.45 0.00 -0.50 0.00 -0.62 0.00 0.00 57.03 55.46 2qpu h ASP 97 Cb 1.19 0.00 -0.15 0.00 0.18 0.00 0.00 39.33 40.55 2qpu h ASP 97 CO 0.71 0.42 -0.75 -0.31 -3.12 0.00 0.00 179.24 176.19 2qpu s TYR 98 N -3.91 1.89 0.22 4.55 2.02 -0.38 -5.02 117.35 116.70 2qpu s TYR 98 Ca -0.02 -0.49 -0.08 0.00 -0.37 0.00 0.00 57.07 56.11 2qpu s TYR 98 Cb 0.13 -0.87 -0.07 0.00 -0.40 0.00 0.00 41.96 40.76 2qpu s TYR 98 CO 0.72 0.45 0.52 0.15 -1.57 0.00 0.00 175.55 175.82 2qpu s LYS 99 N -3.47 3.75 0.00 -0.62 1.02 -1.26 -1.93 119.74 117.23 2qpu s LYS 99 Ca 0.23 0.18 0.00 0.00 0.02 0.00 0.00 55.97 56.41 2qpu s LYS 99 Cb -0.03 -2.69 0.00 0.00 -0.52 0.00 0.00 37.83 34.60 2qpu s LYS 99 CO 0.09 0.34 0.00 -0.40 -0.92 0.00 0.00 175.35 174.46 2qpu n ASP 100 N -0.16 0.03 0.19 2.83 5.75 -0.02 -4.84 116.55 120.32 2qpu n ASP 100 Ca -0.00 -0.93 0.14 0.00 -0.01 0.00 0.00 54.79 53.98 2qpu n ASP 100 Cb 0.52 0.00 0.65 0.00 -1.03 0.00 0.00 41.12 41.26 2qpu n ASP 100 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 2qpu h SER 101 N 0.00 0.00 0.91 -1.12 4.64 -2.00 -1.70 113.55 114.29 2qpu h SER 101 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qpu h SER 101 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2qpu h SER 101 CO 0.00 0.00 -0.44 0.54 -0.87 0.00 0.00 176.83 176.06 2qpu n ARG 102 N -2.47 0.21 -0.42 4.77 1.74 -1.26 -4.92 116.66 114.31 2qpu n ARG 102 Ca -0.00 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.16 2qpu n ARG 102 Cb 0.15 -1.66 0.00 0.00 -1.02 0.00 0.00 32.46 29.93 2qpu n ARG 102 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qpu n GLY 103 N 1.38 0.75 3.71 -0.13 0.00 -0.64 -5.07 105.19 105.19 2qpu n GLY 103 Ca 0.04 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 2qpu n GLY 103 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qpu s ILE 104 N -2.00 4.73 -0.91 -0.61 1.01 -1.26 -4.83 121.20 117.34 2qpu s ILE 104 Ca 0.00 -0.08 -0.24 0.00 0.00 0.00 0.00 60.65 60.33 2qpu s ILE 104 Cb 0.00 -3.05 0.02 0.00 0.01 0.00 0.00 42.46 39.44 2qpu s ILE 104 CO 0.00 0.56 1.54 -0.31 0.00 0.00 0.00 174.94 176.73 2qpu s TYR 105 N -0.50 2.28 0.00 3.97 2.02 -1.26 -0.84 117.35 123.01 2qpu s TYR 105 Ca 0.10 -0.28 0.00 0.00 -0.37 0.00 0.00 57.07 56.52 2qpu s TYR 105 Cb -0.12 -4.51 0.00 0.00 -0.40 0.00 0.00 41.96 36.93 2qpu s TYR 105 CO 0.02 -1.96 0.51 0.00 -1.57 0.00 0.00 175.55 172.55 2qpu s ILE 107 N 0.00 3.80 0.40 0.00 1.01 -0.86 -2.23 121.20 123.32 2qpu s ILE 107 Ca 0.00 -0.59 -0.00 0.00 0.00 0.00 0.00 60.65 60.05 2qpu s ILE 107 Cb 0.00 -2.88 -0.02 0.00 0.01 0.00 0.00 42.46 39.57 2qpu s ILE 107 CO 0.00 0.21 0.62 -0.36 0.00 0.00 0.00 174.94 175.41 2qpu s PHE 108 N 1.50 3.42 -0.05 3.97 0.40 0.09 -1.25 117.98 126.05 2qpu s PHE 108 Ca 0.04 0.38 -0.00 0.00 -0.60 0.00 0.00 56.93 56.74 2qpu s PHE 108 Cb -0.16 -2.09 0.03 0.00 0.51 0.00 0.00 43.02 41.31 2qpu s PHE 108 CO 0.01 -0.09 -0.01 -2.00 0.70 0.00 0.00 175.22 173.83 2qpu s GLU 109 N -4.46 0.58 0.31 0.44 2.56 -1.26 -3.88 118.70 113.01 2qpu s GLU 109 Ca 0.44 0.05 0.16 0.00 0.00 0.00 0.00 54.97 55.62 2qpu s GLU 109 Cb -0.10 -0.82 0.34 0.00 2.00 0.00 0.00 34.13 35.55 2qpu s GLU 109 CO 0.38 -0.21 1.57 0.78 -0.56 0.00 0.00 175.26 177.22 2qpu h GLY 110 N 7.81 0.00 0.00 -1.50 0.00 -1.61 -3.32 103.07 104.46 2qpu h GLY 110 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 2qpu h GLY 110 CO 0.35 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.50 2qpu n GLY 111 N 0.77 1.05 3.44 4.60 0.00 -1.26 -0.82 105.19 112.96 2qpu n GLY 111 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 2qpu n GLY 111 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qpu s THR 112 N -2.00 1.99 0.45 2.61 -4.23 -1.26 -4.57 115.64 108.63 2qpu s THR 112 Ca 0.00 -2.23 0.22 0.00 -1.18 0.00 0.00 61.69 58.49 2qpu s THR 112 Cb 0.00 -2.34 0.25 0.00 1.34 0.00 0.00 72.50 71.75 2qpu s THR 112 CO 0.00 -0.38 2.06 0.77 -0.54 0.00 0.00 174.62 176.52 2qpu h SER 113 N 2.30 0.00 -2.15 3.99 4.64 -1.99 -3.44 113.55 116.90 2qpu h SER 113 Ca -0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 2qpu h SER 113 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2qpu h SER 113 CO 0.65 0.13 0.00 -0.90 -0.87 0.00 0.00 176.83 175.84 2qpu n ASP 114 N -3.99 0.00 -0.51 4.97 5.68 -1.26 -5.00 116.55 116.44 2qpu n ASP 114 Ca -0.02 -0.71 0.08 0.00 -0.50 0.00 0.00 54.79 53.64 2qpu n ASP 114 Cb 0.22 0.00 0.30 0.00 -1.14 0.00 0.00 41.12 40.50 2qpu n ASP 114 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qpu n GLY 115 N 5.00 0.23 3.68 6.12 0.00 -1.26 -4.86 105.19 114.09 2qpu n GLY 115 Ca 0.00 -0.36 -0.46 0.00 0.00 0.00 0.00 46.02 45.20 2qpu n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qpu n ARG 116 N 0.25 2.34 -1.16 1.61 1.74 -1.26 -1.14 116.66 119.04 2qpu n ARG 116 Ca 0.14 0.85 -0.05 0.00 -0.77 0.00 0.00 57.85 58.01 2qpu n ARG 116 Cb 0.28 -2.68 -0.02 0.00 -1.02 0.00 0.00 32.46 29.02 2qpu n ARG 116 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2qpu n LEU 117 N 5.17 0.14 -3.74 0.55 4.77 -1.26 -3.58 117.00 119.04 2qpu n LEU 117 Ca 0.19 0.13 -0.42 0.00 -0.03 0.00 0.00 56.01 55.89 2qpu n LEU 117 Cb 0.31 -2.16 0.00 0.00 -2.33 0.00 0.00 43.42 39.25 2qpu n LEU 117 CO 0.68 -0.81 2.29 0.47 -1.33 0.00 0.00 177.39 178.69 2qpu n ASP 118 N -0.74 5.42 -4.18 -1.43 8.00 -0.29 -3.49 116.55 119.84 2qpu n ASP 118 Ca -0.05 -3.02 -0.29 0.00 0.71 0.00 0.00 54.79 52.14 2qpu n ASP 118 Cb 0.44 -1.51 0.18 0.00 -0.02 0.00 0.00 41.12 40.21 2qpu n ASP 118 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2qpu s TRP 119 N 0.96 1.61 0.13 1.24 0.51 -1.25 -4.80 118.94 117.34 2qpu s TRP 119 Ca 0.45 0.28 0.02 0.00 -2.12 0.00 0.00 56.10 54.73 2qpu s TRP 119 Cb 0.12 -4.03 -0.01 0.00 -0.81 0.00 0.00 33.47 28.75 2qpu s TRP 119 CO -0.03 -2.57 0.07 0.41 -0.51 0.00 0.00 176.95 174.32 2qpu n GLY 120 N -3.69 3.72 0.18 0.98 0.00 -1.26 -0.73 105.19 104.39 2qpu n GLY 120 Ca 0.15 -1.86 0.12 0.00 0.00 0.00 0.00 46.02 44.43 2qpu n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qpu h PRO 121 N 0.00 0.00 0.00 1.61 0.13 -1.79 -1.17 132.00 130.79 2qpu h PRO 121 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 2qpu h PRO 121 Cb 0.42 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.55 2qpu h PRO 121 CO 0.14 0.00 0.00 1.25 -0.23 0.00 0.00 178.00 179.16 2qpu h HIS 122 N 0.00 0.00 -0.58 1.56 2.76 -1.95 -2.07 115.15 114.86 2qpu h HIS 122 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2qpu h HIS 122 Cb 0.07 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.03 2qpu h HIS 122 CO 0.00 0.00 0.00 -1.33 -1.30 0.00 0.00 177.93 175.30 2qpu n MET 123 N -3.02 2.46 -3.91 5.26 2.81 -0.44 -4.20 117.12 116.08 2qpu n MET 123 Ca -0.01 -2.26 -0.35 0.00 -1.81 0.00 0.00 57.70 53.27 2qpu n MET 123 Cb 0.21 -1.50 -0.11 0.00 -0.71 0.00 0.00 33.22 31.11 2qpu n MET 123 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2qpu s ILE 124 N -1.22 4.60 -0.22 2.02 1.01 -0.78 -0.91 121.20 125.69 2qpu s ILE 124 Ca 0.42 -0.09 -0.43 0.00 0.00 0.00 0.00 60.65 60.55 2qpu s ILE 124 Cb 0.22 -3.11 -0.19 0.00 0.01 0.00 0.00 42.46 39.39 2qpu s ILE 124 CO 0.30 0.40 1.37 0.00 0.00 0.00 0.00 174.94 177.01 2qpu h ARG 126 N 4.35 0.00 0.00 0.00 0.11 -1.56 -1.15 114.38 116.13 2qpu h ARG 126 Ca -0.47 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.61 2qpu h ARG 126 Cb 1.39 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.47 2qpu h ARG 126 CO 0.82 0.03 0.00 -0.40 0.10 0.00 0.00 179.97 180.53 2qpu n ASP 127 N -4.35 0.00 -3.88 0.08 5.75 -1.26 -3.58 116.55 109.32 2qpu n ASP 127 Ca -0.03 -0.53 -0.42 0.00 -0.01 0.00 0.00 54.79 53.80 2qpu n ASP 127 Cb 0.12 -0.12 0.01 0.00 -1.03 0.00 0.00 41.12 40.10 2qpu n ASP 127 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2qpu n ASP 128 N -1.12 5.87 0.33 -1.12 -0.08 -0.44 -4.82 116.55 115.17 2qpu n ASP 128 Ca 0.17 -3.25 0.19 0.00 -1.51 0.00 0.00 54.79 50.39 2qpu n ASP 128 Cb 0.14 -1.38 1.01 0.00 2.34 0.00 0.00 41.12 43.22 2qpu n ASP 128 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 2qpu h THR 129 N 3.48 0.01 0.00 5.18 1.35 -1.80 -1.16 112.91 119.97 2qpu h THR 129 Ca 0.35 0.00 -0.04 0.00 -0.55 0.00 0.00 66.41 66.17 2qpu h THR 129 Cb 0.59 0.82 -0.01 0.00 -1.73 0.00 0.00 68.15 67.83 2qpu h THR 129 CO 1.50 0.00 -0.19 0.50 -0.25 0.00 0.00 175.52 177.07 2qpu h LYS 130 N 0.00 0.00 0.00 4.72 3.64 -1.92 -3.35 116.57 119.66 2qpu h LYS 130 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2qpu h LYS 130 Cb 0.36 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 2qpu h LYS 130 CO -0.00 0.19 -0.95 0.66 -2.27 0.00 0.00 179.45 177.08 2qpu n TYR 131 N -4.16 0.00 -0.90 1.91 4.01 -0.82 -4.99 117.16 112.20 2qpu n TYR 131 Ca -0.02 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.42 2qpu n TYR 131 Cb 0.26 0.00 0.17 0.00 -0.31 0.00 0.00 39.34 39.46 2qpu n TYR 131 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 2qpu s SER 132 N -3.01 2.81 -0.12 7.72 1.04 -0.50 -4.87 113.70 116.76 2qpu s SER 132 Ca 0.00 1.75 0.15 0.00 0.48 0.00 0.00 55.95 58.32 2qpu s SER 132 Cb 0.00 -2.36 0.44 0.00 0.10 0.00 0.00 66.02 64.19 2qpu s SER 132 CO 0.00 -3.10 1.35 -0.90 0.98 0.00 0.00 173.24 171.57 2qpu n ASP 133 N -4.20 3.47 -0.01 7.02 5.75 -1.26 -4.90 116.55 122.41 2qpu n ASP 133 Ca 0.08 -2.70 -0.00 0.00 -0.01 0.00 0.00 54.79 52.15 2qpu n ASP 133 Cb 0.54 -0.43 -0.00 0.00 -1.03 0.00 0.00 41.12 40.19 2qpu n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qpu n GLY 134 N -0.28 0.25 0.02 6.12 0.00 -1.26 -4.89 105.19 105.14 2qpu n GLY 134 Ca 0.18 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.30 2qpu n GLY 134 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qpu n THR 135 N -2.46 0.08 -2.00 2.61 -2.24 -1.26 -4.95 114.28 104.06 2qpu n THR 135 Ca -0.00 -0.38 -0.29 0.00 -2.27 0.00 0.00 64.05 61.10 2qpu n THR 135 Cb 0.27 0.17 0.19 0.00 -2.10 0.00 0.00 70.33 68.86 2qpu n THR 135 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qpu s ALA 136 N -3.37 2.35 0.87 6.98 0.00 -1.26 -5.01 121.76 122.32 2qpu s ALA 136 Ca -0.03 -1.30 -0.12 0.00 0.00 0.00 0.00 51.96 50.51 2qpu s ALA 136 Cb 0.14 -2.68 0.11 0.00 0.00 0.00 0.00 23.12 20.69 2qpu s ALA 136 CO 0.88 -2.40 1.16 -0.80 0.00 0.00 0.00 175.76 174.60 2qpu s ASN 137 N -4.90 3.96 0.52 0.00 0.01 -1.26 -4.23 114.94 109.04 2qpu s ASN 137 Ca 0.74 0.86 -0.16 0.00 -0.71 0.00 0.00 52.86 53.59 2qpu s ASN 137 Cb -0.03 -1.38 -0.08 0.00 0.41 0.00 0.00 41.25 40.17 2qpu s ASN 137 CO 0.52 -2.26 0.99 -0.76 -1.51 0.00 0.00 177.10 174.08 2qpu s LEU 138 N -5.82 3.61 0.33 0.60 1.43 -1.26 -1.94 118.68 115.63 2qpu s LEU 138 Ca 0.63 1.57 -0.29 0.00 -1.03 0.00 0.00 54.13 55.02 2qpu s LEU 138 Cb -0.13 -4.51 -0.12 0.00 0.03 0.00 0.00 46.19 41.47 2qpu s LEU 138 CO 0.51 -0.61 1.51 -0.67 0.23 0.00 0.00 176.35 177.32 2qpu n ASP 139 N -1.62 3.68 0.01 2.29 -0.08 -1.26 -4.89 116.55 114.69 2qpu n ASP 139 Ca 0.07 1.19 0.13 0.00 -1.51 0.00 0.00 54.79 54.66 2qpu n ASP 139 Cb 0.54 -1.59 0.41 0.00 2.34 0.00 0.00 41.12 42.82 2qpu n ASP 139 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 2qpu n THR 140 N 1.21 0.09 -2.67 5.18 -2.24 -1.26 -4.93 114.28 109.65 2qpu n THR 140 Ca 0.05 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2qpu n THR 140 Cb 0.37 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.43 2qpu n THR 140 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qpu n GLY 141 N 1.47 4.92 3.76 3.38 0.00 -1.14 -3.21 105.19 114.37 2qpu n GLY 141 Ca 0.06 -1.27 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 2qpu n GLY 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qpu s ALA 142 N -1.86 1.84 0.10 4.61 0.00 -0.04 -4.80 121.76 121.62 2qpu s ALA 142 Ca 0.00 -0.17 0.04 0.00 0.00 0.00 0.00 51.96 51.83 2qpu s ALA 142 Cb 0.00 -3.14 -0.04 0.00 0.00 0.00 0.00 23.12 19.94 2qpu s ALA 142 CO 0.00 -2.10 0.10 0.34 0.00 0.00 0.00 175.76 174.10 2qpu s ASP 143 N -3.67 5.55 -0.34 0.00 2.15 -1.26 -4.45 116.67 114.64 2qpu s ASP 143 Ca 0.62 -0.04 -0.08 0.00 0.43 0.00 0.00 52.55 53.49 2qpu s ASP 143 Cb -0.16 -1.48 0.03 0.00 -0.30 0.00 0.00 42.92 41.01 2qpu s ASP 143 CO 0.56 0.14 0.13 0.12 -0.17 0.00 0.00 175.17 175.95 2qpu s PHE 144 N -1.49 3.24 0.26 -5.34 5.36 -1.26 -5.01 117.98 113.73 2qpu s PHE 144 Ca 0.30 -1.22 -0.02 0.00 -0.96 0.00 0.00 56.93 55.02 2qpu s PHE 144 Cb -0.12 -2.32 0.46 0.00 -0.34 0.00 0.00 43.02 40.70 2qpu s PHE 144 CO 0.22 -0.68 1.82 0.00 -1.46 0.00 0.00 175.22 175.12 2qpu h ALA 145 N 8.28 1.30 0.00 11.12 0.00 -2.00 -3.05 119.26 134.91 2qpu h ALA 145 Ca -0.25 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2qpu h ALA 145 Cb 1.09 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2qpu h ALA 145 CO 0.62 0.15 0.00 0.00 0.00 0.00 0.00 179.25 180.02 2qpu n ALA 146 N -2.37 2.38 -3.22 0.00 0.00 -1.26 -4.88 120.51 111.17 2qpu n ALA 146 Ca 0.16 -0.14 -0.12 0.00 0.00 0.00 0.00 53.44 53.33 2qpu n ALA 146 Cb 0.31 -1.41 -0.04 0.00 0.00 0.00 0.00 19.45 18.30 2qpu n ALA 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qpu s ALA 147 N -2.22 -1.26 0.15 0.00 0.00 -1.15 -5.08 121.76 112.20 2qpu s ALA 147 Ca 0.33 0.31 -0.33 0.00 0.00 0.00 0.00 51.96 52.27 2qpu s ALA 147 Cb 0.17 0.67 -0.13 0.00 0.00 0.00 0.00 23.12 23.84 2qpu s ALA 147 CO 0.33 -0.65 1.68 -2.30 0.00 0.00 0.00 175.76 174.83 2qpu n PRO 148 N -0.10 2.44 -3.10 0.00 -0.02 -1.24 -4.64 135.00 128.33 2qpu n PRO 148 Ca -0.17 0.88 -0.39 0.00 -2.02 0.00 0.00 63.50 61.80 2qpu n PRO 148 Cb 0.63 -2.70 -0.06 0.00 -0.02 0.00 0.00 33.50 31.36 2qpu n PRO 148 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2qpu s ASP 149 N 1.48 7.14 0.06 2.55 1.11 -1.26 -1.52 116.67 126.23 2qpu s ASP 149 Ca 0.79 1.36 -0.22 0.00 0.18 0.00 0.00 52.55 54.66 2qpu s ASP 149 Cb -0.60 -2.42 -0.06 0.00 1.07 0.00 0.00 42.92 40.91 2qpu s ASP 149 CO 0.37 0.12 0.67 -0.63 1.18 0.00 0.00 175.17 176.88 2qpu s ILE 150 N -0.48 4.72 -0.91 0.77 -1.09 -0.19 -1.32 121.20 122.70 2qpu s ILE 150 Ca 0.34 1.43 -0.23 0.00 -2.23 0.00 0.00 60.65 59.96 2qpu s ILE 150 Cb -0.20 -4.01 0.07 0.00 -1.58 0.00 0.00 42.46 36.73 2qpu s ILE 150 CO 0.21 0.46 1.29 -0.62 -1.23 0.00 0.00 174.94 175.05 2qpu s ASP 151 N -0.56 6.43 0.00 3.58 2.15 -0.09 -4.64 116.67 123.54 2qpu s ASP 151 Ca 0.33 -1.34 0.14 0.00 0.43 0.00 0.00 52.55 52.11 2qpu s ASP 151 Cb -0.20 -2.51 0.72 0.00 -0.30 0.00 0.00 42.92 40.63 2qpu s ASP 151 CO 0.21 -1.47 1.40 1.41 -0.17 0.00 0.00 175.17 176.55 2qpu n HIS 152 N 8.33 0.00 1.09 -5.34 8.25 -1.26 -1.74 115.22 124.55 2qpu n HIS 152 Ca 0.21 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.81 2qpu n HIS 152 Cb 0.50 -0.30 0.47 0.00 1.12 0.00 0.00 29.99 31.77 2qpu n HIS 152 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2qpu n LEU 153 N -1.30 0.32 -4.70 2.41 4.77 -1.26 -4.61 117.00 112.63 2qpu n LEU 153 Ca 0.07 0.18 -0.42 0.00 -0.03 0.00 0.00 56.01 55.81 2qpu n LEU 153 Cb 0.12 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 40.85 2qpu n LEU 153 CO 0.11 0.07 0.88 0.21 -1.33 0.00 0.00 177.39 177.33 2qpu s ASN 154 N -2.88 7.11 0.21 -1.43 3.84 -0.71 -4.95 114.94 116.13 2qpu s ASN 154 Ca 0.16 1.91 -0.09 0.00 0.21 0.00 0.00 52.86 55.05 2qpu s ASN 154 Cb 0.19 -2.57 0.22 0.00 -0.55 0.00 0.00 41.25 38.53 2qpu s ASN 154 CO 0.59 -0.48 1.85 -0.78 -2.79 0.00 0.00 177.10 175.49 2qpu h ASP 155 N 7.00 0.74 -0.69 -4.21 3.58 -1.89 -2.46 116.42 118.50 2qpu h ASP 155 Ca -0.39 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 56.99 2qpu h ASP 155 Cb 1.20 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 42.07 2qpu h ASP 155 CO 0.82 0.51 0.16 -0.09 -2.88 0.00 0.00 179.24 177.76 2qpu h ARG 156 N 0.88 1.12 -0.00 0.28 2.43 -1.96 -1.63 114.38 115.49 2qpu h ARG 156 Ca 0.30 -0.28 0.01 0.00 -0.81 0.00 0.00 59.98 59.21 2qpu h ARG 156 Cb 0.05 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.44 2qpu h ARG 156 CO -0.12 1.00 -0.06 0.28 -1.51 0.00 0.00 179.97 179.55 2qpu h VAL 157 N 1.05 0.83 -0.29 0.20 2.07 -1.79 0.62 116.25 118.94 2qpu h VAL 157 Ca 0.22 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.75 2qpu h VAL 157 Cb 0.39 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2qpu h VAL 157 CO 0.01 0.00 0.15 1.56 0.02 0.00 0.00 177.57 179.31 2qpu h GLN 158 N -0.11 0.31 0.12 1.57 4.20 -1.31 -0.07 115.11 119.82 2qpu h GLN 158 Ca 0.03 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2qpu h GLN 158 Cb 0.15 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.86 2qpu h GLN 158 CO -0.07 0.20 -0.06 -0.09 -0.67 0.00 0.00 178.83 178.15 2qpu h ARG 159 N 0.32 -0.15 0.00 1.46 2.43 -1.06 -1.83 114.38 115.54 2qpu h ARG 159 Ca 0.12 0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.18 2qpu h ARG 159 Cb 0.02 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 2qpu h ARG 159 CO -0.07 -0.07 -0.55 0.93 -1.51 0.00 0.00 179.97 178.70 2qpu h GLU 160 N -0.19 0.00 -0.11 0.20 5.08 -0.80 -1.98 114.58 116.77 2qpu h GLU 160 Ca -0.02 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.13 2qpu h GLU 160 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2qpu h GLU 160 CO 0.03 0.55 -0.77 -0.07 -1.00 0.00 0.00 179.01 177.74 2qpu h LEU 161 N 0.00 0.73 -0.88 1.33 3.38 -0.96 -1.20 115.31 117.72 2qpu h LEU 161 Ca -0.01 -0.49 -0.09 0.00 0.09 0.00 0.00 57.88 57.38 2qpu h LEU 161 Cb 1.06 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 2qpu h LEU 161 CO 0.07 1.26 -0.17 0.11 0.09 0.00 0.00 178.44 179.80 2qpu h LYS 162 N 0.41 0.64 -0.45 1.13 1.57 -1.26 0.11 116.57 118.73 2qpu h LYS 162 Ca -0.05 -0.22 -0.03 0.00 -1.87 0.00 0.00 60.65 58.48 2qpu h LYS 162 Cb 1.38 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.62 2qpu h LYS 162 CO 0.15 0.78 0.16 1.49 -0.57 0.00 0.00 179.45 181.45 2qpu h GLU 163 N 0.58 0.69 -0.44 3.15 4.81 -1.20 -0.47 114.58 121.70 2qpu h GLU 163 Ca 0.09 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 2qpu h GLU 163 Cb 0.62 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 2qpu h GLU 163 CO 0.04 0.65 0.17 2.35 -0.73 0.00 0.00 179.01 181.49 2qpu h TRP 164 N 0.59 0.67 -0.69 0.92 7.01 -0.85 -1.79 115.95 121.80 2qpu h TRP 164 Ca 0.15 -0.05 -0.01 0.00 2.11 0.00 0.00 58.89 61.09 2qpu h TRP 164 Cb 0.24 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 27.06 2qpu h TRP 164 CO 0.01 0.59 0.40 -0.07 -2.79 0.00 0.00 178.44 176.58 2qpu h LEU 165 N 0.56 0.84 -1.36 0.65 3.38 -0.75 -0.87 115.31 117.76 2qpu h LEU 165 Ca 0.14 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 2qpu h LEU 165 Cb 0.21 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2qpu h LEU 165 CO -0.01 0.67 -0.11 -0.07 0.09 0.00 0.00 178.44 179.00 2qpu h LEU 166 N 0.94 0.27 -0.62 1.67 3.38 -0.87 -2.14 115.31 117.95 2qpu h LEU 166 Ca 0.25 -0.06 -0.13 0.00 0.09 0.00 0.00 57.88 58.03 2qpu h LEU 166 Cb -0.01 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2qpu h LEU 166 CO -0.04 0.42 -0.34 -0.25 0.09 0.00 0.00 178.44 178.32 2qpu h TRP 167 N 0.28 0.84 -0.60 1.13 7.01 -0.55 -0.44 115.95 123.61 2qpu h TRP 167 Ca 0.06 -0.23 0.03 0.00 2.11 0.00 0.00 58.89 60.86 2qpu h TRP 167 Cb 0.37 -0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 27.21 2qpu h TRP 167 CO 0.01 0.96 0.40 -0.07 -2.79 0.00 0.00 178.44 176.94 2qpu h LEU 168 N 0.60 0.62 0.09 0.65 3.38 -0.52 0.25 115.31 120.39 2qpu h LEU 168 Ca 0.06 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2qpu h LEU 168 Cb 0.87 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2qpu h LEU 168 CO 0.08 0.43 -0.04 0.11 0.09 0.00 0.00 178.44 179.10 2qpu h LYS 169 N 0.72 -0.12 -0.38 1.13 1.57 -1.19 -1.97 116.57 116.33 2qpu h LYS 169 Ca 0.24 0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.87 2qpu h LYS 169 Cb 0.05 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2qpu h LYS 169 CO -0.06 0.40 -0.35 0.66 -0.57 0.00 0.00 179.45 179.52 2qpu h SER 170 N -0.88 0.96 0.26 0.86 4.64 -0.93 -1.67 113.55 116.79 2qpu h SER 170 Ca -0.01 -0.46 -0.34 0.00 -0.47 0.00 0.00 61.79 60.51 2qpu h SER 170 Cb 0.57 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 62.36 2qpu h SER 170 CO 0.02 1.22 -1.90 -0.67 -0.87 0.00 0.00 176.83 174.64 2qpu n ASP 171 N -4.10 1.66 -0.09 4.97 -0.08 0.88 -4.50 116.55 115.29 2qpu n ASP 171 Ca -0.02 0.28 -0.10 0.00 -1.51 0.00 0.00 54.79 53.44 2qpu n ASP 171 Cb 0.53 -0.56 -0.16 0.00 2.34 0.00 0.00 41.12 43.27 2qpu n ASP 171 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2qpu n LEU 172 N -3.32 0.27 0.00 -2.67 4.77 -1.02 -5.02 117.00 110.02 2qpu n LEU 172 Ca -0.26 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 2qpu n LEU 172 Cb 1.05 0.38 0.00 0.00 -2.33 0.00 0.00 43.42 42.52 2qpu n LEU 172 CO 0.44 0.50 0.00 0.61 -1.33 0.00 0.00 177.39 177.60 2qpu n GLY 173 N 1.74 1.03 3.75 -0.72 0.00 -0.63 -4.64 105.19 105.72 2qpu n GLY 173 Ca -0.31 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.33 2qpu n GLY 173 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qpu s PHE 174 N -2.00 2.34 -0.12 1.61 0.08 -1.00 -4.78 117.98 114.11 2qpu s PHE 174 Ca 0.00 1.39 0.11 0.00 0.12 0.00 0.00 56.93 58.54 2qpu s PHE 174 Cb 0.00 -3.77 -0.15 0.00 -0.57 0.00 0.00 43.02 38.54 2qpu s PHE 174 CO 0.00 -2.78 0.05 -0.25 -0.10 0.00 0.00 175.22 172.14 2qpu n ASP 175 N -0.96 2.05 -3.65 1.36 8.00 0.01 -4.34 116.55 119.03 2qpu n ASP 175 Ca 0.10 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.48 2qpu n ASP 175 Cb 0.45 0.81 -0.05 0.00 -0.02 0.00 0.00 41.12 42.30 2qpu n ASP 175 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qpu s ALA 176 N -2.30 0.51 0.21 2.24 0.00 -1.02 -1.32 121.76 120.07 2qpu s ALA 176 Ca -0.06 -1.34 0.10 0.00 0.00 0.00 0.00 51.96 50.66 2qpu s ALA 176 Cb 0.04 1.17 -0.04 0.00 0.00 0.00 0.00 23.12 24.28 2qpu s ALA 176 CO 0.49 -0.78 -0.20 -1.58 0.00 0.00 0.00 175.76 173.69 2qpu s TRP 177 N -3.55 2.07 -0.22 0.00 0.23 -0.55 -1.12 118.94 115.80 2qpu s TRP 177 Ca 0.29 -0.41 0.00 0.00 -2.03 0.00 0.00 56.10 53.95 2qpu s TRP 177 Cb 0.01 -0.99 0.05 0.00 0.03 0.00 0.00 33.47 32.57 2qpu s TRP 177 CO 0.15 0.48 -0.06 0.50 0.96 0.00 0.00 176.95 178.98 2qpu s ARG 178 N -3.01 1.61 -0.52 4.98 3.00 -0.39 -1.47 118.95 123.14 2qpu s ARG 178 Ca 0.21 -0.87 -0.25 0.00 -1.00 0.00 0.00 55.73 53.83 2qpu s ARG 178 Cb -0.06 -2.45 0.04 0.00 0.00 0.00 0.00 34.95 32.47 2qpu s ARG 178 CO 0.10 -0.55 0.97 -0.51 0.00 0.00 0.00 175.30 175.30 2qpu s LEU 179 N 1.45 3.99 0.32 -0.88 1.43 0.06 -0.50 118.68 124.56 2qpu s LEU 179 Ca -0.04 -0.14 -0.29 0.00 -1.03 0.00 0.00 54.13 52.64 2qpu s LEU 179 Cb -0.18 -3.00 -0.10 0.00 0.03 0.00 0.00 46.19 42.94 2qpu s LEU 179 CO -0.07 -1.20 1.28 -0.62 0.23 0.00 0.00 176.35 175.97 2qpu s ASP 180 N 2.66 6.85 -1.26 2.29 2.15 -0.46 -1.04 116.67 127.86 2qpu s ASP 180 Ca 0.34 2.62 -0.26 0.00 0.43 0.00 0.00 52.55 55.68 2qpu s ASP 180 Cb -0.11 -2.64 0.04 0.00 -0.30 0.00 0.00 42.92 39.90 2qpu s ASP 180 CO 0.22 -0.48 0.50 0.33 -0.17 0.00 0.00 175.17 175.57 2qpu n PHE 181 N 0.92 -1.29 0.28 -5.34 7.35 -1.26 -4.67 117.46 113.45 2qpu n PHE 181 Ca 0.00 0.17 0.18 0.00 -0.76 0.00 0.00 57.45 57.04 2qpu n PHE 181 Cb 0.42 -2.67 0.89 0.00 0.35 0.00 0.00 39.48 38.47 2qpu n PHE 181 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2qpu h ALA 182 N 1.52 1.00 0.00 3.13 0.00 -1.45 0.34 119.26 123.81 2qpu h ALA 182 Ca -0.68 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2qpu h ALA 182 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 2qpu h ALA 182 CO 0.55 0.00 0.00 0.54 0.00 0.00 0.00 179.25 180.34 2qpu n ARG 183 N -2.75 0.19 0.22 0.00 5.12 -1.26 -2.89 116.66 115.29 2qpu n ARG 183 Ca -0.02 0.10 0.15 0.00 -1.93 0.00 0.00 57.85 56.15 2qpu n ARG 183 Cb 0.10 -1.50 0.53 0.00 -1.16 0.00 0.00 32.46 30.44 2qpu n ARG 183 CO 0.00 0.00 0.00 0.78 -1.93 0.00 0.00 177.63 176.48 2qpu h GLY 184 N 3.67 0.00 -3.15 -0.13 0.00 -1.14 -0.07 103.07 102.26 2qpu h GLY 184 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 2qpu h GLY 184 CO 0.00 0.00 -0.43 -2.52 0.00 0.00 0.00 176.54 173.59 2qpu s TYR 185 N -3.46 0.24 0.76 5.60 1.13 -1.14 -2.86 117.35 117.62 2qpu s TYR 185 Ca 0.04 -0.69 -0.13 0.00 -1.41 0.00 0.00 57.07 54.88 2qpu s TYR 185 Cb 0.09 -0.12 0.06 0.00 -1.10 0.00 0.00 41.96 40.88 2qpu s TYR 185 CO 0.53 -0.52 1.13 -1.54 -2.51 0.00 0.00 175.55 172.64 2qpu s SER 186 N -2.88 4.25 0.49 -0.18 1.04 -1.20 -4.71 113.70 110.51 2qpu s SER 186 Ca 0.06 2.07 0.25 0.00 0.48 0.00 0.00 55.95 58.81 2qpu s SER 186 Cb 0.05 -2.55 1.28 0.00 0.10 0.00 0.00 66.02 64.90 2qpu s SER 186 CO -0.10 -2.21 2.00 1.55 0.98 0.00 0.00 173.24 175.45 2qpu h PRO 187 N -0.80 0.00 -0.74 4.02 0.13 -1.92 -1.41 132.00 131.28 2qpu h PRO 187 Ca -0.45 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.64 2qpu h PRO 187 Cb 1.26 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.35 2qpu h PRO 187 CO 0.50 0.16 0.31 0.93 -0.23 0.00 0.00 178.00 179.66 2qpu h GLU 188 N 0.00 1.09 -0.18 0.86 3.07 -1.91 0.61 114.58 118.12 2qpu h GLU 188 Ca -0.00 -0.18 -0.20 0.00 -0.50 0.00 0.00 59.36 58.47 2qpu h GLU 188 Cb 0.45 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 28.18 2qpu h GLU 188 CO 0.02 0.87 -0.69 0.52 -1.40 0.00 0.00 179.01 178.33 2qpu h MET 189 N 1.07 0.75 -0.80 2.33 2.86 -1.64 -2.78 114.93 116.71 2qpu h MET 189 Ca 0.25 -0.56 0.00 0.00 -2.06 0.00 0.00 59.70 57.33 2qpu h MET 189 Cb 0.18 0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.90 2qpu h MET 189 CO -0.02 1.18 0.51 0.00 1.06 0.00 0.00 176.91 179.63 2qpu h ALA 190 N 0.68 1.39 -0.86 6.32 0.00 -0.90 -1.84 119.26 124.05 2qpu h ALA 190 Ca -0.03 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 2qpu h ALA 190 Cb 1.30 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.72 2qpu h ALA 190 CO 0.14 0.55 0.53 -0.22 0.00 0.00 0.00 179.25 180.25 2qpu h LYS 191 N 1.09 1.16 -0.53 0.00 3.64 -0.70 -0.21 116.57 121.02 2qpu h LYS 191 Ca 0.29 -0.09 0.06 0.00 -1.27 0.00 0.00 60.65 59.64 2qpu h LYS 191 Cb -0.09 -0.25 -0.06 0.00 -0.41 0.00 0.00 32.23 31.43 2qpu h LYS 191 CO -0.06 0.80 0.22 0.28 -2.27 0.00 0.00 179.45 178.43 2qpu h VAL 192 N 1.18 0.87 0.06 2.00 2.07 -1.06 -0.34 116.25 121.02 2qpu h VAL 192 Ca 0.31 -0.15 -0.27 0.00 0.82 0.00 0.00 66.70 67.41 2qpu h VAL 192 Cb -0.07 0.40 0.02 0.00 -1.52 0.00 0.00 31.29 30.12 2qpu h VAL 192 CO -0.06 0.08 -1.11 1.88 0.02 0.00 0.00 177.57 178.37 2qpu h TYR 193 N 0.43 0.90 0.43 1.57 0.05 -1.28 -2.09 116.97 116.98 2qpu h TYR 193 Ca 0.25 -0.53 -0.02 0.00 0.05 0.00 0.00 58.73 58.48 2qpu h TYR 193 Cb 0.24 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 37.89 2qpu h TYR 193 CO -0.14 1.37 -0.21 0.82 -1.05 0.00 0.00 178.16 178.95 2qpu h ILE 194 N 0.29 0.51 -0.00 -2.88 2.04 -0.90 -2.41 117.51 114.16 2qpu h ILE 194 Ca -0.14 -0.44 -0.03 0.00 1.00 0.00 0.00 64.86 65.26 2qpu h ILE 194 Cb 1.77 0.69 -0.00 0.00 -0.74 0.00 0.00 36.82 38.54 2qpu h ILE 194 CO 0.21 0.07 -0.13 0.44 0.00 0.00 0.00 178.15 178.74 2qpu h ASP 195 N -0.86 0.00 0.78 1.72 5.19 -1.19 -2.48 116.42 119.59 2qpu h ASP 195 Ca -0.06 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 2qpu h ASP 195 Cb 0.56 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.07 2qpu h ASP 195 CO 0.10 0.13 -0.10 0.61 -3.12 0.00 0.00 179.24 176.85 2qpu n GLY 196 N -1.17 -1.37 0.00 2.75 0.00 -0.78 -4.08 105.19 100.54 2qpu n GLY 196 Ca -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2qpu n GLY 196 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qpu n THR 197 N -1.41 0.00 -3.91 2.61 -2.24 -0.91 -4.99 114.28 103.42 2qpu n THR 197 Ca 0.09 -0.40 -0.35 0.00 -2.27 0.00 0.00 64.05 61.12 2qpu n THR 197 Cb 0.32 1.14 0.01 0.00 -2.10 0.00 0.00 70.33 69.70 2qpu n THR 197 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2qpu n SER 198 N -0.26 -3.27 -4.82 3.42 7.64 -0.96 -4.95 113.62 110.41 2qpu n SER 198 Ca 0.00 -1.12 -0.32 0.00 1.01 0.00 0.00 58.87 58.43 2qpu n SER 198 Cb 0.04 -2.65 -0.01 0.00 -1.01 0.00 0.00 64.21 60.57 2qpu n SER 198 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 2qpu s PRO 199 N -6.66 3.60 0.45 1.43 0.04 -1.26 -4.92 135.00 127.68 2qpu s PRO 199 Ca 0.33 1.10 0.16 0.00 0.04 0.00 0.00 61.00 62.62 2qpu s PRO 199 Cb -0.15 -2.08 1.04 0.00 0.04 0.00 0.00 34.50 33.36 2qpu s PRO 199 CO 0.91 -0.57 2.00 0.66 0.04 0.00 0.00 177.00 180.04 2qpu h SER 200 N 0.66 0.00 -4.81 6.66 4.64 -1.57 -3.45 113.55 115.68 2qpu h SER 200 Ca -0.47 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 60.87 2qpu h SER 200 Cb 1.20 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.14 2qpu h SER 200 CO 0.59 0.18 0.32 -1.48 -0.87 0.00 0.00 176.83 175.57 2qpu s LEU 201 N -8.51 -0.51 -0.32 5.97 0.05 -1.26 -4.94 118.68 109.15 2qpu s LEU 201 Ca -0.04 0.20 -0.02 0.00 0.05 0.00 0.00 54.13 54.32 2qpu s LEU 201 Cb 0.15 2.35 0.12 0.00 -2.05 0.00 0.00 46.19 46.77 2qpu s LEU 201 CO 0.69 -0.73 0.18 0.00 -0.55 0.00 0.00 176.35 175.93 2qpu s ALA 202 N -2.75 0.73 -0.28 1.48 0.00 -0.56 -1.48 121.76 118.91 2qpu s ALA 202 Ca -0.01 -1.45 -0.22 0.00 0.00 0.00 0.00 51.96 50.28 2qpu s ALA 202 Cb -0.01 -1.51 -0.01 0.00 0.00 0.00 0.00 23.12 21.59 2qpu s ALA 202 CO -0.05 -1.89 0.70 0.54 0.00 0.00 0.00 175.76 175.06 2qpu s VAL 203 N 1.59 4.91 -0.02 0.00 0.11 -0.54 -1.08 120.40 125.36 2qpu s VAL 203 Ca 0.14 1.15 -0.08 0.00 -2.93 0.00 0.00 61.98 60.25 2qpu s VAL 203 Cb -0.19 -4.03 -0.05 0.00 -1.53 0.00 0.00 36.38 30.58 2qpu s VAL 203 CO -0.18 -0.09 0.27 0.00 -3.33 0.00 0.00 175.10 171.77 2qpu s ALA 204 N 2.68 3.82 -0.86 1.54 0.00 0.24 -0.76 121.76 128.43 2qpu s ALA 204 Ca 0.29 -0.51 -0.19 0.00 0.00 0.00 0.00 51.96 51.55 2qpu s ALA 204 Cb -0.15 -2.11 0.13 0.00 0.00 0.00 0.00 23.12 20.99 2qpu s ALA 204 CO 0.10 0.60 1.03 -2.00 0.00 0.00 0.00 175.76 175.50 2qpu s GLU 205 N -1.43 3.50 -0.56 0.00 2.12 -0.20 -2.37 118.70 119.75 2qpu s GLU 205 Ca 0.24 -1.70 -0.08 0.00 0.36 0.00 0.00 54.97 53.79 2qpu s GLU 205 Cb -0.14 -4.73 0.15 0.00 0.26 0.00 0.00 34.13 29.67 2qpu s GLU 205 CO 0.12 -1.70 0.42 0.08 -0.54 0.00 0.00 175.26 173.64 2qpu s VAL 206 N 2.55 4.20 -0.41 3.70 1.01 -1.26 -1.78 120.40 128.41 2qpu s VAL 206 Ca 0.28 -2.24 -0.06 0.00 0.00 0.00 0.00 61.98 59.96 2qpu s VAL 206 Cb -0.08 -3.74 0.09 0.00 0.00 0.00 0.00 36.38 32.65 2qpu s VAL 206 CO -0.06 -0.83 0.23 0.86 0.00 0.00 0.00 175.10 175.29 2qpu s TRP 207 N 0.77 3.43 0.00 5.22 -0.11 -1.26 -4.85 118.94 122.14 2qpu s TRP 207 Ca 0.11 -1.91 -0.02 0.00 1.22 0.00 0.00 56.10 55.50 2qpu s TRP 207 Cb -0.22 -3.03 -0.04 0.00 -1.50 0.00 0.00 33.47 28.68 2qpu s TRP 207 CO -0.03 -0.91 0.16 -0.51 -4.62 0.00 0.00 176.95 171.04 2qpu s ASP 208 N 2.01 6.18 0.31 5.86 1.01 -1.26 -5.01 116.67 125.77 2qpu s ASP 208 Ca 0.04 0.28 -0.29 0.00 0.71 0.00 0.00 52.55 53.29 2qpu s ASP 208 Cb -0.23 -1.89 -0.11 0.00 1.01 0.00 0.00 42.92 41.70 2qpu s ASP 208 CO -0.01 0.25 1.45 0.21 0.21 0.00 0.00 175.17 177.28 2qpu s ASN 209 N -1.98 6.56 -0.46 0.27 2.47 -1.26 -4.97 114.94 115.55 2qpu s ASN 209 Ca 0.27 2.82 -0.14 0.00 0.42 0.00 0.00 52.86 56.23 2qpu s ASN 209 Cb -0.12 -2.64 0.08 0.00 -1.45 0.00 0.00 41.25 37.11 2qpu s ASN 209 CO 0.19 -0.74 0.37 -0.32 -3.72 0.00 0.00 177.10 172.88 2qpu s MET 210 N -1.14 2.89 0.54 0.43 -2.45 -1.26 -5.06 119.30 113.26 2qpu s MET 210 Ca 0.56 -1.40 -0.21 0.00 -1.25 0.00 0.00 55.69 53.38 2qpu s MET 210 Cb -0.44 -4.06 -0.06 0.00 1.25 0.00 0.00 34.83 31.53 2qpu s MET 210 CO 0.51 -1.03 1.24 0.00 1.05 0.00 0.00 175.02 176.79 2qpu n ALA 211 N 5.14 1.15 -2.49 4.11 0.00 -1.26 -4.92 120.51 122.23 2qpu n ALA 211 Ca -0.12 0.12 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 2qpu n ALA 211 Cb 0.43 -2.28 -0.12 0.00 0.00 0.00 0.00 19.45 17.48 2qpu n ALA 211 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2qpu s THR 212 N -1.33 3.07 0.00 0.00 -4.23 -1.26 -4.00 115.64 107.88 2qpu s THR 212 Ca 0.71 -0.91 0.00 0.00 -1.18 0.00 0.00 61.69 60.32 2qpu s THR 212 Cb -0.43 -2.26 0.00 0.00 1.34 0.00 0.00 72.50 71.15 2qpu s THR 212 CO 0.50 0.46 0.00 0.61 -0.54 0.00 0.00 174.62 175.65 2qpu n GLY 213 N 1.88 0.11 0.00 3.99 0.00 -0.10 -4.81 105.19 106.27 2qpu n GLY 213 Ca -0.16 -1.78 0.02 0.00 0.00 0.00 0.00 46.02 44.10 2qpu n GLY 213 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qpu n GLY 214 N 5.00 -0.66 0.88 -0.02 0.00 -1.26 -0.69 105.19 108.45 2qpu n GLY 214 Ca 0.00 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.10 2qpu n GLY 214 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2qpu n ASP 215 N -1.49 2.96 0.00 1.61 5.68 -1.26 -4.95 116.55 119.09 2qpu n ASP 215 Ca 0.01 -1.87 0.00 0.00 -0.50 0.00 0.00 54.79 52.43 2qpu n ASP 215 Cb 0.05 -0.15 0.00 0.00 -1.14 0.00 0.00 41.12 39.88 2qpu n ASP 215 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2qpu n GLY 216 N 1.13 0.48 3.62 6.12 0.00 0.13 -5.00 105.19 111.66 2qpu n GLY 216 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 2qpu n GLY 216 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qpu s LYS 217 N -0.48 2.22 0.66 1.61 1.02 -1.26 -4.77 119.74 118.74 2qpu s LYS 217 Ca 0.00 -1.44 -0.17 0.00 0.02 0.00 0.00 55.97 54.39 2qpu s LYS 217 Cb 0.00 -2.13 0.00 0.00 -0.52 0.00 0.00 37.83 35.18 2qpu s LYS 217 CO 0.00 0.37 1.19 -1.25 -0.92 0.00 0.00 175.35 174.74 2qpu s PRO 218 N -3.59 2.61 0.55 -1.68 0.04 -1.26 -0.92 135.00 130.74 2qpu s PRO 218 Ca 0.31 1.73 -0.19 0.00 0.04 0.00 0.00 61.00 62.89 2qpu s PRO 218 Cb -0.06 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.53 2qpu s PRO 218 CO 0.19 -1.46 1.11 -0.80 0.04 0.00 0.00 177.00 176.07 2qpu s ASN 219 N -1.94 5.76 0.32 6.66 0.01 -1.26 -4.80 114.94 119.70 2qpu s ASN 219 Ca 0.74 2.09 0.00 0.00 -0.71 0.00 0.00 52.86 54.98 2qpu s ASN 219 Cb -0.28 -2.57 0.54 0.00 0.41 0.00 0.00 41.25 39.34 2qpu s ASN 219 CO 0.39 -1.19 1.97 0.22 -1.51 0.00 0.00 177.10 176.99 2qpu h TYR 220 N 1.07 0.95 -3.51 2.20 3.20 -1.99 -3.38 116.97 115.51 2qpu h TYR 220 Ca -0.49 0.02 -0.63 0.00 3.14 0.00 0.00 58.73 60.77 2qpu h TYR 220 Cb 1.25 -0.32 -0.13 0.00 1.54 0.00 0.00 36.73 39.07 2qpu h TYR 220 CO 0.53 0.57 0.38 0.34 -1.64 0.00 0.00 178.16 178.34 2qpu s ASP 221 N -6.30 6.38 -0.20 -2.11 -1.08 -1.26 -4.88 116.67 107.23 2qpu s ASP 221 Ca -0.11 -0.22 0.15 0.00 -0.52 0.00 0.00 52.55 51.85 2qpu s ASP 221 Cb 0.18 -2.39 0.45 0.00 -1.46 0.00 0.00 42.92 39.70 2qpu s ASP 221 CO 0.78 -0.98 1.34 0.00 0.52 0.00 0.00 175.17 176.83 2qpu n GLN 222 N 6.84 2.04 -0.35 4.34 1.13 -1.26 -4.76 117.38 125.36 2qpu n GLN 222 Ca 0.02 -2.91 0.05 0.00 -1.94 0.00 0.00 57.00 52.21 2qpu n GLN 222 Cb 0.48 -1.72 0.22 0.00 0.11 0.00 0.00 30.24 29.33 2qpu n GLN 222 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 2qpu h ASP 223 N 1.01 0.96 -0.16 1.08 3.32 -1.90 -1.39 116.42 119.34 2qpu h ASP 223 Ca 0.06 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.07 2qpu h ASP 223 Cb 1.33 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.68 2qpu h ASP 223 CO 0.18 0.58 -0.06 0.00 -1.72 0.00 0.00 179.24 178.22 2qpu h ALA 224 N 1.50 1.34 -0.09 3.45 0.00 -1.99 0.19 119.26 123.67 2qpu h ALA 224 Ca 0.44 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 55.07 2qpu h ALA 224 Cb 0.28 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2qpu h ALA 224 CO -0.19 0.45 -0.14 1.25 0.00 0.00 0.00 179.25 180.62 2qpu h HIS 225 N 0.45 0.31 0.00 0.00 -0.00 -1.64 -2.45 115.15 111.81 2qpu h HIS 225 Ca 0.09 -0.10 -0.06 0.00 -0.00 0.00 0.00 60.37 60.30 2qpu h HIS 225 Cb 0.39 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 27.73 2qpu h HIS 225 CO 0.01 0.73 -0.29 0.07 -0.00 0.00 0.00 177.93 178.45 2qpu h ARG 226 N -0.20 0.00 -0.59 5.26 0.11 -1.27 -2.90 114.38 114.78 2qpu h ARG 226 Ca 0.01 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.00 2qpu h ARG 226 Cb 0.70 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.75 2qpu h ARG 226 CO 0.03 0.29 0.04 0.37 0.10 0.00 0.00 179.97 180.79 2qpu h GLN 227 N 0.00 1.01 -0.83 0.08 5.75 -0.54 -0.36 115.11 120.21 2qpu h GLN 227 Ca -0.00 -0.29 0.02 0.00 -0.15 0.00 0.00 58.65 58.23 2qpu h GLN 227 Cb 0.97 -0.11 -0.04 0.00 1.07 0.00 0.00 27.48 29.37 2qpu h GLN 227 CO 0.04 0.97 0.54 -0.91 -2.65 0.00 0.00 178.83 176.82 2qpu h ASN 228 N 0.93 0.93 -0.27 -0.69 -0.26 -1.24 -0.08 115.58 114.89 2qpu h ASN 228 Ca 0.18 -0.02 -0.09 0.00 -0.56 0.00 0.00 56.30 55.81 2qpu h ASN 228 Cb 0.49 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.52 2qpu h ASN 228 CO 0.02 0.66 -0.18 -0.07 -1.06 0.00 0.00 177.43 176.80 2qpu h LEU 229 N 1.09 0.63 -1.17 1.61 3.38 -1.32 -2.30 115.31 117.22 2qpu h LEU 229 Ca 0.31 -0.43 -0.07 0.00 0.09 0.00 0.00 57.88 57.78 2qpu h LEU 229 Cb -0.08 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 2qpu h LEU 229 CO -0.08 0.93 -0.18 -0.37 0.09 0.00 0.00 178.44 178.83 2qpu h VAL 230 N 0.33 1.23 -0.62 1.22 -1.51 -0.86 -2.25 116.25 113.79 2qpu h VAL 230 Ca 0.05 -1.02 -0.05 0.00 -1.23 0.00 0.00 66.70 64.45 2qpu h VAL 230 Cb 0.71 1.26 -0.03 0.00 -2.13 0.00 0.00 31.29 31.11 2qpu h VAL 230 CO 0.05 0.32 0.17 0.78 -1.23 0.00 0.00 177.57 177.66 2qpu h ASN 231 N 0.33 0.90 -0.40 4.19 2.35 -0.85 -0.51 115.58 121.59 2qpu h ASN 231 Ca 0.06 -0.17 -0.04 0.00 -0.55 0.00 0.00 56.30 55.60 2qpu h ASN 231 Cb 0.51 -0.23 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 2qpu h ASN 231 CO 0.03 0.86 0.09 -0.25 -1.65 0.00 0.00 177.43 176.51 2qpu h TRP 232 N 0.92 0.68 -0.76 1.19 7.01 -0.94 -1.02 115.95 123.03 2qpu h TRP 232 Ca 0.20 -0.09 -0.02 0.00 2.11 0.00 0.00 58.89 61.10 2qpu h TRP 232 Cb 0.30 -0.19 -0.04 0.00 -2.10 0.00 0.00 29.16 27.14 2qpu h TRP 232 CO 0.02 0.66 0.42 0.28 -2.79 0.00 0.00 178.44 177.02 2qpu h VAL 233 N 0.50 1.23 -0.58 2.65 2.07 -1.01 -2.12 116.25 119.00 2qpu h VAL 233 Ca 0.12 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 2qpu h VAL 233 Cb 0.33 0.22 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 2qpu h VAL 233 CO 0.00 0.25 0.27 0.44 0.02 0.00 0.00 177.57 178.55 2qpu h ASP 234 N 1.05 0.76 -0.28 0.57 3.32 -0.85 0.76 116.42 121.76 2qpu h ASP 234 Ca 0.27 -0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 2qpu h ASP 234 Cb 0.04 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 2qpu h ASP 234 CO -0.04 0.69 0.12 0.11 -1.72 0.00 0.00 179.24 178.40 2qpu h LYS 235 N 0.78 0.47 0.00 3.56 1.79 -0.69 -2.23 116.57 120.26 2qpu h LYS 235 Ca 0.20 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 2qpu h LYS 235 Cb 0.14 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.70 2qpu h LYS 235 CO -0.02 0.40 -0.08 1.33 -1.08 0.00 0.00 179.45 180.00 2qpu n VAL 236 N -4.39 0.33 0.00 0.50 0.24 -0.84 -4.69 118.33 109.48 2qpu n VAL 236 Ca 0.02 -0.17 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 2qpu n VAL 236 Cb 0.14 -0.47 0.00 0.00 -1.47 0.00 0.00 33.84 32.05 2qpu n VAL 236 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2qpu n GLY 237 N 1.39 -0.25 7.00 7.63 0.00 -0.84 -4.74 105.19 115.38 2qpu n GLY 237 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2qpu n GLY 237 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qpu n GLY 238 N 0.00 3.10 0.29 -0.02 0.00 0.24 -2.12 105.19 106.68 2qpu n GLY 238 Ca 0.00 -0.26 0.14 0.00 0.00 0.00 0.00 46.02 45.91 2qpu n GLY 238 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qpu h ALA 239 N -0.91 1.47 0.00 4.61 0.00 -1.94 -1.22 119.26 121.27 2qpu h ALA 239 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2qpu h ALA 239 Cb 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2qpu h ALA 239 CO 0.00 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.29 2qpu n ALA 240 N -2.31 2.28 -2.77 0.00 0.00 -0.90 -4.81 120.51 111.99 2qpu n ALA 240 Ca -0.03 -0.11 -0.27 0.00 0.00 0.00 0.00 53.44 53.04 2qpu n ALA 240 Cb 0.12 -1.44 -0.06 0.00 0.00 0.00 0.00 19.45 18.07 2qpu n ALA 240 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2qpu s SER 241 N -2.83 5.38 0.00 0.00 0.15 -0.46 -4.99 113.70 110.95 2qpu s SER 241 Ca 0.18 -0.16 0.29 0.00 0.70 0.00 0.00 55.95 56.96 2qpu s SER 241 Cb 0.18 -1.37 1.24 0.00 -1.71 0.00 0.00 66.02 64.36 2qpu s SER 241 CO 0.46 0.08 1.87 0.00 1.20 0.00 0.00 173.24 176.85 2qpu n ALA 242 N -0.21 2.74 -1.78 5.45 0.00 -1.26 -4.85 120.51 120.60 2qpu n ALA 242 Ca -0.09 -0.25 -0.37 0.00 0.00 0.00 0.00 53.44 52.74 2qpu n ALA 242 Cb 0.54 -1.35 -0.02 0.00 0.00 0.00 0.00 19.45 18.62 2qpu n ALA 242 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2qpu s GLY 243 N -2.52 2.76 0.33 0.00 0.00 -1.26 -1.50 107.32 105.13 2qpu s GLY 243 Ca 0.28 0.84 -0.09 0.00 0.00 0.00 0.00 44.72 45.75 2qpu s GLY 243 CO 0.48 1.29 0.56 -3.16 0.00 0.00 0.00 173.10 172.28 2qpu s MET 244 N -2.60 1.90 0.09 2.90 0.23 -0.24 -4.88 119.30 116.69 2qpu s MET 244 Ca 0.61 -1.52 0.03 0.00 -1.03 0.00 0.00 55.69 53.78 2qpu s MET 244 Cb -0.26 0.50 -0.04 0.00 -1.53 0.00 0.00 34.83 33.51 2qpu s MET 244 CO 0.32 -0.82 -0.09 0.14 -2.03 0.00 0.00 175.02 172.54 2qpu s VAL 245 N -3.15 0.80 0.22 5.16 -7.23 -0.70 -0.59 120.40 114.92 2qpu s VAL 245 Ca 0.24 -1.63 -0.30 0.00 -1.81 0.00 0.00 61.98 58.49 2qpu s VAL 245 Cb -0.02 -1.32 -0.09 0.00 0.56 0.00 0.00 36.38 35.52 2qpu s VAL 245 CO 0.15 -0.62 1.13 -0.36 -0.31 0.00 0.00 175.10 175.09 2qpu s PHE 246 N -2.59 3.53 -1.33 2.82 0.08 -1.00 -1.19 117.98 118.30 2qpu s PHE 246 Ca 0.05 1.59 -0.15 0.00 0.12 0.00 0.00 56.93 58.53 2qpu s PHE 246 Cb -0.02 -3.33 0.09 0.00 -0.57 0.00 0.00 43.02 39.19 2qpu s PHE 246 CO -0.01 -0.77 1.84 -3.47 -0.10 0.00 0.00 175.22 172.71 2qpu n ASP 247 N 1.92 4.71 0.25 1.36 -0.08 0.57 -4.72 116.55 120.57 2qpu n ASP 247 Ca 0.02 -2.93 0.13 0.00 -1.51 0.00 0.00 54.79 50.50 2qpu n ASP 247 Cb 0.45 -1.66 0.64 0.00 2.34 0.00 0.00 41.12 42.89 2qpu n ASP 247 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 2qpu h PHE 248 N 6.85 0.00 -0.06 -0.67 0.04 -1.88 -2.33 116.94 118.89 2qpu h PHE 248 Ca 0.45 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.22 2qpu h PHE 248 Cb 0.78 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.93 2qpu h PHE 248 CO 1.36 0.13 0.01 1.15 -0.60 0.00 0.00 178.31 180.36 2qpu h THR 249 N 0.00 1.21 -0.48 -1.55 2.02 -1.93 -1.27 112.91 110.91 2qpu h THR 249 Ca -0.00 -0.64 -0.05 0.00 0.77 0.00 0.00 66.41 66.48 2qpu h THR 249 Cb 0.52 1.54 -0.02 0.00 -1.74 0.00 0.00 68.15 68.45 2qpu h THR 249 CO 0.02 0.18 0.08 0.74 0.37 0.00 0.00 175.52 176.91 2qpu h THR 250 N -0.15 1.22 -0.18 3.16 2.02 -1.84 -1.96 112.91 115.18 2qpu h THR 250 Ca 0.02 -0.83 -0.00 0.00 0.77 0.00 0.00 66.41 66.37 2qpu h THR 250 Cb 0.27 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 2qpu h THR 250 CO 0.00 0.30 0.10 0.50 0.37 0.00 0.00 175.52 176.79 2qpu h LYS 251 N 0.72 0.24 -0.50 6.66 1.63 -1.20 0.82 116.57 124.94 2qpu h LYS 251 Ca 0.16 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 59.89 2qpu h LYS 251 Cb 0.32 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.88 2qpu h LYS 251 CO 0.00 0.22 0.14 0.78 -3.45 0.00 0.00 179.45 177.15 2qpu h GLY 252 N 0.20 0.85 0.73 5.01 0.00 -1.02 -1.23 103.07 107.60 2qpu h GLY 252 Ca 0.06 -0.52 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 2qpu h GLY 252 CO -0.01 0.48 -0.01 -2.22 0.00 0.00 0.00 176.54 174.79 2qpu h ILE 253 N 0.68 1.26 -0.67 2.60 2.04 -1.25 -3.03 117.51 119.15 2qpu h ILE 253 Ca 0.16 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 2qpu h ILE 253 Cb 0.30 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 2qpu h ILE 253 CO -0.00 0.23 0.38 0.25 0.00 0.00 0.00 178.15 179.01 2qpu h LEU 254 N -0.15 0.81 -0.82 1.44 5.85 -0.80 0.45 115.31 122.09 2qpu h LEU 254 Ca 0.02 -0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.78 2qpu h LEU 254 Cb 0.37 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.12 2qpu h LEU 254 CO 0.01 0.65 0.46 0.78 -0.34 0.00 0.00 178.44 180.00 2qpu h ASN 255 N 0.93 0.66 0.52 1.25 4.21 -1.15 -2.55 115.58 119.45 2qpu h ASN 255 Ca 0.24 0.05 -0.29 0.00 1.21 0.00 0.00 56.30 57.51 2qpu h ASN 255 Cb 0.01 -0.07 -0.01 0.00 -1.12 0.00 0.00 38.32 37.12 2qpu h ASN 255 CO -0.04 0.37 -1.49 0.00 -1.29 0.00 0.00 177.43 174.98 2qpu h ALA 256 N 1.46 0.34 -0.72 -0.83 0.00 -1.22 -3.38 119.26 114.90 2qpu h ALA 256 Ca 0.40 -1.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.18 2qpu h ALA 256 Cb 0.38 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 2qpu h ALA 256 CO -0.25 1.21 0.45 0.00 0.00 0.00 0.00 179.25 180.65 2qpu h ALA 257 N 0.61 0.92 0.00 0.00 0.00 0.23 -2.63 119.26 118.38 2qpu h ALA 257 Ca -0.22 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2qpu h ALA 257 Cb 1.98 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.48 2qpu h ALA 257 CO 0.15 0.37 0.00 1.33 0.00 0.00 0.00 179.25 181.10 2qpu n VAL 258 N -4.55 1.16 -1.52 0.00 0.24 -0.99 -1.30 118.33 111.37 2qpu n VAL 258 Ca 0.06 0.32 -0.28 0.00 -2.04 0.00 0.00 64.34 62.41 2qpu n VAL 258 Cb 0.04 -1.16 -0.06 0.00 -1.47 0.00 0.00 33.84 31.19 2qpu n VAL 258 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2qpu n GLU 259 N -1.66 2.66 -1.13 7.34 -0.58 -0.99 -4.68 120.64 121.59 2qpu n GLU 259 Ca 0.02 -2.39 -0.04 0.00 -0.42 0.00 0.00 57.16 54.33 2qpu n GLU 259 Cb 0.14 -2.20 -0.02 0.00 -0.57 0.00 0.00 31.44 28.79 2qpu n GLU 259 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qpu n GLY 260 N 1.12 0.69 2.63 0.62 0.00 -1.23 -4.94 105.19 104.08 2qpu n GLY 260 Ca 0.50 -0.88 -0.12 0.00 0.00 0.00 0.00 46.02 45.52 2qpu n GLY 260 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qpu n GLU 261 N -2.86 1.55 0.00 1.61 1.02 -0.42 -4.54 120.64 117.00 2qpu n GLU 261 Ca -0.04 -3.47 0.04 0.00 -0.02 0.00 0.00 57.16 53.67 2qpu n GLU 261 Cb 0.14 -1.43 0.21 0.00 -0.02 0.00 0.00 31.44 30.35 2qpu n GLU 261 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2qpu n LEU 262 N -0.15 0.00 0.07 -4.62 4.77 -0.83 -1.72 117.00 114.52 2qpu n LEU 262 Ca 0.14 0.36 0.09 0.00 -0.03 0.00 0.00 56.01 56.57 2qpu n LEU 262 Cb 0.79 -0.36 0.39 0.00 -2.33 0.00 0.00 43.42 41.91 2qpu n LEU 262 CO 0.27 -0.25 0.78 -2.67 -1.33 0.00 0.00 177.39 174.19 2qpu n TRP 263 N -1.36 0.42 0.46 -1.77 4.27 -1.22 -2.02 117.44 116.22 2qpu n TRP 263 Ca 0.03 0.17 0.13 0.00 -3.89 0.00 0.00 57.50 53.94 2qpu n TRP 263 Cb 0.08 -0.77 0.47 0.00 -1.36 0.00 0.00 31.31 29.73 2qpu n TRP 263 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2qpu h ARG 264 N 0.00 0.00 -0.95 -2.67 3.08 -1.64 -3.31 114.38 108.89 2qpu h ARG 264 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2qpu h ARG 264 Cb 0.27 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.32 2qpu h ARG 264 CO 0.00 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.18 2qpu n LEU 265 N -2.30 1.22 -3.72 3.04 4.77 -0.86 -4.70 117.00 114.45 2qpu n LEU 265 Ca 0.03 -0.61 -0.12 0.00 -0.03 0.00 0.00 56.01 55.28 2qpu n LEU 265 Cb 0.30 -0.49 -0.11 0.00 -2.33 0.00 0.00 43.42 40.78 2qpu n LEU 265 CO 0.24 0.26 -0.01 -0.51 -1.33 0.00 0.00 177.39 176.04 2qpu s ILE 266 N -1.12 -0.02 0.73 -0.08 2.07 -1.25 -4.38 121.20 117.15 2qpu s ILE 266 Ca 0.03 0.09 -0.04 0.00 -1.41 0.00 0.00 60.65 59.32 2qpu s ILE 266 Cb 0.02 -0.51 0.12 0.00 0.13 0.00 0.00 42.46 42.21 2qpu s ILE 266 CO 0.01 0.04 1.02 1.51 -1.91 0.00 0.00 174.94 175.61 2qpu s ASP 267 N 1.11 4.34 0.50 4.50 1.47 -0.10 -4.86 116.67 123.63 2qpu s ASP 267 Ca -0.08 -0.11 0.32 0.00 1.18 0.00 0.00 52.55 53.86 2qpu s ASP 267 Cb -0.08 -0.32 1.72 0.00 -0.34 0.00 0.00 42.92 43.90 2qpu s ASP 267 CO -0.09 -1.87 1.96 -0.65 0.68 0.00 0.00 175.17 175.21 2qpu h PRO 268 N -0.63 0.00 -0.02 2.11 0.11 -1.99 -1.08 132.00 130.49 2qpu h PRO 268 Ca -0.39 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2qpu h PRO 268 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2qpu h PRO 268 CO 0.44 0.00 -0.01 1.04 -0.21 0.00 0.00 178.00 179.27 2qpu n GLN 269 N -2.64 2.05 -0.78 1.05 6.02 -1.26 -4.94 117.38 116.87 2qpu n GLN 269 Ca -0.02 -1.54 0.00 0.00 -0.01 0.00 0.00 57.00 55.43 2qpu n GLN 269 Cb 0.09 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 29.88 2qpu n GLN 269 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qpu n GLY 270 N 1.28 0.54 3.81 1.08 0.00 -0.41 -5.06 105.19 106.43 2qpu n GLY 270 Ca 0.16 -0.67 -0.22 0.00 0.00 0.00 0.00 46.02 45.29 2qpu n GLY 270 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qpu s LYS 271 N -1.26 2.60 0.45 1.61 1.02 -1.26 -4.71 119.74 118.19 2qpu s LYS 271 Ca 0.00 -1.38 -0.25 0.00 0.02 0.00 0.00 55.97 54.36 2qpu s LYS 271 Cb 0.00 -2.37 -0.08 0.00 -0.52 0.00 0.00 37.83 34.85 2qpu s LYS 271 CO 0.00 0.11 1.42 0.00 -0.92 0.00 0.00 175.35 175.96 2qpu s ALA 272 N -2.34 3.25 -0.88 5.17 0.00 -1.26 -0.93 121.76 124.77 2qpu s ALA 272 Ca 0.40 1.45 0.25 0.00 0.00 0.00 0.00 51.96 54.06 2qpu s ALA 272 Cb -0.05 -3.58 0.99 0.00 0.00 0.00 0.00 23.12 20.48 2qpu s ALA 272 CO 0.25 -1.16 1.78 -0.35 0.00 0.00 0.00 175.76 176.27 2qpu n PRO 273 N -0.16 0.08 -0.37 0.00 -0.04 -1.26 -3.53 135.00 129.72 2qpu n PRO 273 Ca 0.05 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 2qpu n PRO 273 Cb 0.42 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.26 2qpu n PRO 273 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qpu n GLY 274 N 0.99 1.33 0.26 0.55 0.00 -1.26 -4.77 105.19 102.30 2qpu n GLY 274 Ca 0.05 -1.99 0.10 0.00 0.00 0.00 0.00 46.02 44.18 2qpu n GLY 274 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2qpu h VAL 275 N -0.10 0.87 -0.94 1.61 2.07 -1.91 -1.63 116.25 116.23 2qpu h VAL 275 Ca 0.00 -0.14 0.24 0.00 0.82 0.00 0.00 66.70 67.62 2qpu h VAL 275 Cb 0.00 1.08 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 2qpu h VAL 275 CO 0.00 0.04 0.63 -0.03 0.02 0.00 0.00 177.57 178.23 2qpu h MET 276 N 0.00 0.25 0.00 1.57 1.85 -1.88 -0.02 114.93 116.69 2qpu h MET 276 Ca -0.00 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.07 2qpu h MET 276 Cb 0.07 -0.06 0.00 0.00 0.43 0.00 0.00 31.60 32.05 2qpu h MET 276 CO 0.00 0.17 -0.13 0.78 -0.40 0.00 0.00 176.91 177.33 2qpu h GLY 277 N 0.26 0.00 0.00 1.39 0.00 -1.34 -3.28 103.07 100.11 2qpu h GLY 277 Ca 0.48 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.61 2qpu h GLY 277 CO -0.14 0.00 -1.73 0.79 0.00 0.00 0.00 176.54 175.46 2qpu n TRP 278 N -2.37 0.00 -3.16 5.60 8.01 -0.26 -4.71 117.44 120.54 2qpu n TRP 278 Ca 0.05 0.00 -0.21 0.00 -1.31 0.00 0.00 57.50 56.02 2qpu n TRP 278 Cb 0.45 -0.48 -0.05 0.00 -2.01 0.00 0.00 31.31 29.21 2qpu n TRP 278 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 177.69 178.55 2qpu n TRP 279 N -3.18 -0.41 -0.16 -5.99 -0.00 -0.19 -4.99 117.44 102.53 2qpu n TRP 279 Ca -0.24 -3.52 0.15 0.00 -0.00 0.00 0.00 57.50 53.90 2qpu n TRP 279 Cb 0.72 -0.24 0.51 0.00 -0.00 0.00 0.00 31.31 32.30 2qpu n TRP 279 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 177.69 176.69 2qpu h PRO 280 N 3.71 0.39 0.00 5.87 0.13 -1.64 -0.96 132.00 139.50 2qpu h PRO 280 Ca 0.06 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2qpu h PRO 280 Cb 0.92 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.96 2qpu h PRO 280 CO 0.46 0.26 0.00 0.00 -0.23 0.00 0.00 178.00 178.48 2qpu n ALA 281 N -2.53 1.36 -0.11 -0.56 0.00 -1.26 -2.14 120.51 115.26 2qpu n ALA 281 Ca 0.14 0.13 0.02 0.00 0.00 0.00 0.00 53.44 53.74 2qpu n ALA 281 Cb 0.53 -1.34 0.07 0.00 0.00 0.00 0.00 19.45 18.70 2qpu n ALA 281 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2qpu n LYS 282 N -2.21 2.91 -3.96 0.00 4.76 -0.38 -4.96 118.16 114.33 2qpu n LYS 282 Ca 0.00 -1.76 -0.35 0.00 -2.87 0.00 0.00 58.31 53.34 2qpu n LYS 282 Cb 0.13 -1.13 -0.14 0.00 -1.84 0.00 0.00 35.03 32.05 2qpu n LYS 282 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qpu s ALA 283 N -1.08 2.71 -0.42 7.82 0.00 -0.91 -1.72 121.76 128.16 2qpu s ALA 283 Ca 0.10 -1.18 -0.15 0.00 0.00 0.00 0.00 51.96 50.73 2qpu s ALA 283 Cb 0.06 -1.59 0.02 0.00 0.00 0.00 0.00 23.12 21.61 2qpu s ALA 283 CO 0.06 -0.41 0.32 0.08 0.00 0.00 0.00 175.76 175.81 2qpu s VAL 284 N 1.43 5.25 0.39 0.00 1.01 -0.34 -0.18 120.40 127.97 2qpu s VAL 284 Ca 0.06 -0.67 -0.10 0.00 0.00 0.00 0.00 61.98 61.26 2qpu s VAL 284 Cb -0.14 -3.95 -0.06 0.00 0.00 0.00 0.00 36.38 32.23 2qpu s VAL 284 CO -0.05 -0.34 0.75 0.42 0.00 0.00 0.00 175.10 175.88 2qpu s THR 285 N 1.70 4.81 0.14 3.92 -4.23 0.16 -0.31 115.64 121.83 2qpu s THR 285 Ca 0.05 0.57 -0.22 0.00 -1.18 0.00 0.00 61.69 60.92 2qpu s THR 285 Cb -0.19 -3.73 0.06 0.00 1.34 0.00 0.00 72.50 69.98 2qpu s THR 285 CO 0.10 -0.50 0.56 0.72 -0.54 0.00 0.00 174.62 174.95 2qpu s PHE 286 N -2.35 -0.46 -0.19 3.99 -0.71 -1.26 -0.44 117.98 116.55 2qpu s PHE 286 Ca 0.51 0.25 -0.04 0.00 -1.04 0.00 0.00 56.93 56.61 2qpu s PHE 286 Cb -0.10 0.48 -0.21 0.00 -1.21 0.00 0.00 43.02 41.98 2qpu s PHE 286 CO 0.31 -0.81 0.06 0.28 -1.34 0.00 0.00 175.22 173.73 2qpu n VAL 287 N -0.29 1.63 -3.48 -2.49 0.31 -1.26 -4.69 118.33 108.05 2qpu n VAL 287 Ca -0.17 -0.57 -0.12 0.00 -0.01 0.00 0.00 64.34 63.47 2qpu n VAL 287 Cb 0.64 -1.63 -0.03 0.00 -0.91 0.00 0.00 33.84 31.91 2qpu n VAL 287 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2qpu s ASP 288 N -6.84 -0.52 0.01 4.52 1.01 -1.26 -4.43 116.67 109.16 2qpu s ASP 288 Ca -0.29 0.23 0.00 0.00 0.71 0.00 0.00 52.55 53.20 2qpu s ASP 288 Cb 0.08 0.50 -0.00 0.00 1.01 0.00 0.00 42.92 44.51 2qpu s ASP 288 CO 0.67 -0.72 0.01 -0.46 0.21 0.00 0.00 175.17 174.87 2qpu n ASN 289 N 0.11 0.80 0.27 0.27 0.23 -1.26 -4.58 115.26 111.10 2qpu n ASN 289 Ca -0.15 -1.07 0.18 0.00 -0.53 0.00 0.00 54.58 53.01 2qpu n ASN 289 Cb 0.61 0.04 0.87 0.00 -2.08 0.00 0.00 39.78 39.22 2qpu n ASN 289 CO 0.00 0.00 0.00 1.12 -0.93 0.00 0.00 177.26 177.45 2qpu h HIS 290 N 1.03 0.00 0.00 -2.53 2.07 -1.87 -0.62 115.15 113.23 2qpu h HIS 290 Ca -0.01 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 57.31 2qpu h HIS 290 Cb 0.04 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 29.99 2qpu h HIS 290 CO 0.00 0.00 -1.34 -0.25 -3.07 0.00 0.00 177.93 173.27 2qpu n ASP 291 N -2.87 1.88 0.07 3.10 8.00 -1.26 -4.36 116.55 121.11 2qpu n ASP 291 Ca -0.01 0.45 -0.03 0.00 0.71 0.00 0.00 54.79 55.91 2qpu n ASP 291 Cb 0.16 -0.89 0.21 0.00 -0.02 0.00 0.00 41.12 40.58 2qpu n ASP 291 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2qpu h THR 292 N -1.00 1.30 0.00 -3.53 1.35 -1.87 -0.96 112.91 108.20 2qpu h THR 292 Ca -0.31 -1.48 0.00 0.00 -0.55 0.00 0.00 66.41 64.07 2qpu h THR 292 Cb 1.15 1.62 0.00 0.00 -1.73 0.00 0.00 68.15 69.19 2qpu h THR 292 CO -0.19 0.45 0.00 0.61 -0.25 0.00 0.00 175.52 176.14 2qpu n GLY 293 N -0.20 4.29 7.00 5.82 0.00 -0.24 -0.67 105.19 121.20 2qpu n GLY 293 Ca -0.01 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.77 2qpu n GLY 293 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2qpu n SER 294 N 0.00 0.00 -0.10 1.61 2.88 -1.25 -0.56 113.62 116.19 2qpu n SER 294 Ca 0.00 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.67 2qpu n SER 294 Cb 0.00 0.00 0.45 0.00 -0.75 0.00 0.00 64.21 63.91 2qpu n SER 294 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2qpu n THR 295 N 0.00 0.00 0.05 2.46 -2.24 -1.26 -3.80 114.28 109.49 2qpu n THR 295 Ca 0.00 -0.05 -0.19 0.00 -2.27 0.00 0.00 64.05 61.54 2qpu n THR 295 Cb 0.00 0.08 -0.14 0.00 -2.10 0.00 0.00 70.33 68.17 2qpu n THR 295 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 2qpu h GLN 296 N 0.50 0.28 -6.80 -0.78 4.20 -1.70 -3.49 115.11 107.32 2qpu h GLN 296 Ca 0.00 -0.48 -0.56 0.00 0.06 0.00 0.00 58.65 57.67 2qpu h GLN 296 Cb 0.46 0.18 -0.07 0.00 0.30 0.00 0.00 27.48 28.34 2qpu h GLN 296 CO 0.00 1.15 -0.97 0.00 -0.67 0.00 0.00 178.83 178.34 2qpu n ALA 297 N -2.77 -2.30 0.19 3.87 0.00 0.27 -4.87 120.51 114.91 2qpu n ALA 297 Ca -0.21 -0.42 0.07 0.00 0.00 0.00 0.00 53.44 52.88 2qpu n ALA 297 Cb 1.06 -2.03 0.25 0.00 0.00 0.00 0.00 19.45 18.73 2qpu n ALA 297 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 2qpu h MET 298 N -2.11 0.00 0.00 0.00 2.86 -0.89 -3.39 114.93 111.40 2qpu h MET 298 Ca -0.67 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 56.78 2qpu h MET 298 Cb 1.39 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 32.92 2qpu h MET 298 CO 0.59 0.29 -0.24 1.87 1.06 0.00 0.00 176.91 180.49 2qpu n TRP 299 N -3.28 -2.00 -1.77 -0.22 -0.00 -0.79 -4.96 117.44 104.42 2qpu n TRP 299 Ca 0.01 -1.64 -0.40 0.00 -0.00 0.00 0.00 57.50 55.48 2qpu n TRP 299 Cb 0.56 1.49 0.02 0.00 -0.00 0.00 0.00 31.31 33.38 2qpu n TRP 299 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 177.69 176.44 2qpu s PRO 300 N 0.18 3.59 0.34 5.87 0.04 0.16 -4.72 135.00 140.46 2qpu s PRO 300 Ca 0.19 2.42 -0.27 0.00 0.04 0.00 0.00 61.00 63.38 2qpu s PRO 300 Cb 0.29 -2.59 -0.09 0.00 0.04 0.00 0.00 34.50 32.15 2qpu s PRO 300 CO -0.08 -0.90 1.10 0.12 0.04 0.00 0.00 177.00 177.28 2qpu s PHE 301 N -1.21 3.38 -0.28 0.56 5.36 -1.26 -4.88 117.98 119.64 2qpu s PHE 301 Ca 0.63 1.65 -0.39 0.00 -0.96 0.00 0.00 56.93 57.86 2qpu s PHE 301 Cb -0.44 -3.27 -0.15 0.00 -0.34 0.00 0.00 43.02 38.83 2qpu s PHE 301 CO 0.56 -0.75 1.86 -2.30 -1.46 0.00 0.00 175.22 173.13 2qpu n PRO 302 N 0.59 1.20 0.11 10.12 -0.02 -1.26 -4.80 135.00 140.94 2qpu n PRO 302 Ca 0.02 0.42 0.15 0.00 -2.02 0.00 0.00 63.50 62.07 2qpu n PRO 302 Cb 0.46 -2.20 0.68 0.00 -0.02 0.00 0.00 33.50 32.42 2qpu n PRO 302 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2qpu h SER 303 N 8.48 0.00 -0.16 2.55 0.02 -2.02 -1.40 113.55 121.02 2qpu h SER 303 Ca -0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.53 2qpu h SER 303 Cb 1.32 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.86 2qpu h SER 303 CO 0.98 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 175.77 2qpu n ASP 304 N -4.42 1.28 -0.28 3.07 5.75 -1.26 -3.94 116.55 116.75 2qpu n ASP 304 Ca 0.05 -1.73 0.03 0.00 -0.01 0.00 0.00 54.79 53.13 2qpu n ASP 304 Cb 0.40 -0.10 0.05 0.00 -1.03 0.00 0.00 41.12 40.43 2qpu n ASP 304 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2qpu n LYS 305 N 0.10 0.61 -0.29 0.11 5.02 -0.53 -4.87 118.16 118.31 2qpu n LYS 305 Ca 0.14 -1.51 0.07 0.00 -2.02 0.00 0.00 58.31 54.99 2qpu n LYS 305 Cb 0.25 -0.86 0.22 0.00 -0.02 0.00 0.00 35.03 34.62 2qpu n LYS 305 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2qpu h VAL 306 N 3.87 0.71 0.00 -0.18 2.07 -1.67 -0.74 116.25 120.31 2qpu h VAL 306 Ca 0.00 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 2qpu h VAL 306 Cb 1.17 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2qpu h VAL 306 CO 0.00 0.11 -0.08 0.24 0.02 0.00 0.00 177.57 177.86 2qpu h MET 307 N 0.59 0.00 -0.12 1.57 2.86 -1.91 -0.63 114.93 117.30 2qpu h MET 307 Ca 0.46 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.94 2qpu h MET 307 Cb 0.66 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.31 2qpu h MET 307 CO -0.37 0.08 -0.61 1.96 1.06 0.00 0.00 176.91 179.03 2qpu h GLN 308 N 0.00 0.40 -0.76 1.72 4.20 -1.41 -0.34 115.11 118.92 2qpu h GLN 308 Ca -0.00 -0.27 -0.05 0.00 0.06 0.00 0.00 58.65 58.39 2qpu h GLN 308 Cb 0.28 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.07 2qpu h GLN 308 CO 0.01 0.89 0.29 0.78 -0.67 0.00 0.00 178.83 180.13 2qpu h GLY 309 N 1.26 1.23 1.72 3.46 0.00 -0.99 -1.84 103.07 107.92 2qpu h GLY 309 Ca -0.01 -0.68 -0.20 0.00 0.00 0.00 0.00 47.33 46.44 2qpu h GLY 309 CO 0.10 0.64 -0.88 -0.97 0.00 0.00 0.00 176.54 175.44 2qpu h TYR 310 N 1.11 0.37 -0.76 5.60 0.05 -1.26 -1.52 116.97 120.56 2qpu h TYR 310 Ca 0.25 -0.20 0.00 0.00 0.05 0.00 0.00 58.73 58.84 2qpu h TYR 310 Cb 0.23 -0.04 -0.04 0.00 1.01 0.00 0.00 36.73 37.89 2qpu h TYR 310 CO 0.02 1.01 0.49 0.00 -1.05 0.00 0.00 178.16 178.63 2qpu h ALA 311 N 0.93 1.42 0.26 3.88 0.00 -0.84 -0.74 119.26 124.17 2qpu h ALA 311 Ca -0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2qpu h ALA 311 Cb 1.51 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2qpu h ALA 311 CO 0.14 0.52 -0.13 -0.92 0.00 0.00 0.00 179.25 178.86 2qpu h TYR 312 N 1.04 -0.33 -0.07 0.00 3.20 -1.18 -3.24 116.97 116.39 2qpu h TYR 312 Ca 0.28 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 62.08 2qpu h TYR 312 Cb -0.09 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 2qpu h TYR 312 CO 0.00 -0.20 -0.22 -0.84 -1.64 0.00 0.00 178.16 175.26 2qpu h ILE 313 N -0.61 1.20 0.00 1.81 3.07 -1.27 -2.33 117.51 119.38 2qpu h ILE 313 Ca -0.04 -0.91 0.00 0.00 1.55 0.00 0.00 64.86 65.46 2qpu h ILE 313 Cb 0.27 1.39 0.00 0.00 -0.27 0.00 0.00 36.82 38.21 2qpu h ILE 313 CO 0.06 0.27 0.00 0.18 -1.05 0.00 0.00 178.15 177.61 2qpu n LEU 314 N -4.23 0.65 -0.00 0.16 4.77 -0.29 -3.35 117.00 114.71 2qpu n LEU 314 Ca -0.01 0.59 0.06 0.00 -0.03 0.00 0.00 56.01 56.62 2qpu n LEU 314 Cb 0.31 -0.42 -0.09 0.00 -2.33 0.00 0.00 43.42 40.89 2qpu n LEU 314 CO 0.38 -0.27 -0.36 0.35 -1.33 0.00 0.00 177.39 176.16 2qpu n THR 315 N -2.14 0.00 -2.98 -5.08 -2.24 -1.09 -4.59 114.28 96.15 2qpu n THR 315 Ca 0.05 -0.25 -0.21 0.00 -2.27 0.00 0.00 64.05 61.36 2qpu n THR 315 Cb 0.35 0.58 0.02 0.00 -2.10 0.00 0.00 70.33 69.18 2qpu n THR 315 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2qpu s HIS 316 N -2.59 3.07 1.27 4.78 3.76 -0.90 -4.86 115.29 119.82 2qpu s HIS 316 Ca -0.00 0.04 -0.19 0.00 -0.15 0.00 0.00 55.06 54.76 2qpu s HIS 316 Cb 0.09 -2.38 0.31 0.00 1.11 0.00 0.00 32.58 31.71 2qpu s HIS 316 CO 0.55 -0.44 1.02 -1.25 -0.85 0.00 0.00 174.74 173.77 2qpu s PRO 317 N -4.53 -1.75 0.00 8.40 0.04 -1.26 -4.83 135.00 131.07 2qpu s PRO 317 Ca 0.51 0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.76 2qpu s PRO 317 Cb -0.10 -1.51 0.00 0.00 0.04 0.00 0.00 34.50 32.93 2qpu s PRO 317 CO 0.36 -4.12 0.00 0.41 0.04 0.00 0.00 177.00 173.70 2qpu n GLY 318 N 0.29 -0.21 3.32 0.56 0.00 -0.07 -4.86 105.19 104.21 2qpu n GLY 318 Ca 0.10 -1.78 -0.39 0.00 0.00 0.00 0.00 46.02 43.95 2qpu n GLY 318 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qpu s ILE 319 N -1.81 4.14 0.37 -0.61 1.01 0.75 -3.99 121.20 121.05 2qpu s ILE 319 Ca 0.00 -0.96 -0.25 0.00 0.00 0.00 0.00 60.65 59.43 2qpu s ILE 319 Cb 0.00 -3.30 -0.09 0.00 0.01 0.00 0.00 42.46 39.08 2qpu s ILE 319 CO 0.00 -0.17 1.07 -2.16 0.00 0.00 0.00 174.94 173.68 2qpu s PRO 320 N 1.48 4.27 -0.17 2.79 0.04 -1.26 -0.67 135.00 141.48 2qpu s PRO 320 Ca 0.00 1.61 0.01 0.00 0.04 0.00 0.00 61.00 62.66 2qpu s PRO 320 Cb -0.19 -2.71 0.03 0.00 0.04 0.00 0.00 34.50 31.67 2qpu s PRO 320 CO 0.04 -0.07 -0.13 0.00 0.04 0.00 0.00 177.00 176.89 2qpu s ILE 322 N 1.44 4.82 -0.06 0.00 1.01 0.14 -4.38 121.20 124.17 2qpu s ILE 322 Ca 0.02 1.38 -0.21 0.00 0.00 0.00 0.00 60.65 61.84 2qpu s ILE 322 Cb -0.14 -3.99 -0.04 0.00 0.01 0.00 0.00 42.46 38.29 2qpu s ILE 322 CO -0.10 0.41 0.60 0.12 0.00 0.00 0.00 174.94 175.98 2qpu s PHE 323 N -0.25 3.59 0.20 3.97 5.36 -1.26 -0.16 117.98 129.44 2qpu s PHE 323 Ca 0.33 1.13 -0.23 0.00 -0.96 0.00 0.00 56.93 57.20 2qpu s PHE 323 Cb -0.19 -2.67 0.10 0.00 -0.34 0.00 0.00 43.02 39.92 2qpu s PHE 323 CO 0.19 0.20 1.55 -0.92 -1.46 0.00 0.00 175.22 174.78 2qpu h TYR 324 N 6.39 -1.41 -0.50 10.12 5.03 -1.63 -1.88 116.97 133.08 2qpu h TYR 324 Ca -0.42 0.11 0.10 0.00 2.58 0.00 0.00 58.73 61.10 2qpu h TYR 324 Cb 1.19 0.75 -0.09 0.00 1.55 0.00 0.00 36.73 40.13 2qpu h TYR 324 CO 0.64 -0.39 -0.04 -0.44 -1.32 0.00 0.00 178.16 176.61 2qpu h ASP 325 N -0.03 -0.29 -0.71 -2.11 5.19 -1.89 -1.11 116.42 115.47 2qpu h ASP 325 Ca 0.26 0.13 0.01 0.00 -0.62 0.00 0.00 57.03 56.81 2qpu h ASP 325 Cb 0.53 0.24 -0.04 0.00 0.18 0.00 0.00 39.33 40.24 2qpu h ASP 325 CO -0.94 -0.10 0.47 0.45 -3.12 0.00 0.00 179.24 176.00 2qpu h HIS 326 N 0.08 0.89 -0.00 4.55 3.86 -1.73 0.32 115.15 123.12 2qpu h HIS 326 Ca 0.25 0.02 -0.16 0.00 -1.16 0.00 0.00 60.37 59.32 2qpu h HIS 326 Cb 0.38 -0.30 0.01 0.00 1.06 0.00 0.00 27.41 28.56 2qpu h HIS 326 CO -0.35 0.56 -0.62 0.35 0.86 0.00 0.00 177.93 178.73 2qpu h PHE 327 N 0.96 0.63 0.00 2.45 3.57 -1.05 -3.37 116.94 120.13 2qpu h PHE 327 Ca 0.26 -0.34 -0.18 0.00 3.53 0.00 0.00 57.97 61.24 2qpu h PHE 327 Cb -0.11 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.52 2qpu h PHE 327 CO -0.00 1.16 -1.99 1.19 -2.23 0.00 0.00 178.31 176.44 2qpu n PHE 328 N -4.20 0.00 0.25 0.41 3.72 -0.51 -2.98 117.46 114.14 2qpu n PHE 328 Ca -0.10 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.35 2qpu n PHE 328 Cb 0.68 -0.64 0.07 0.00 -0.94 0.00 0.00 39.48 38.65 2qpu n PHE 328 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2qpu n ASN 329 N -2.41 2.13 -0.40 4.37 5.03 0.11 -4.64 115.26 119.45 2qpu n ASN 329 Ca -0.17 -1.59 0.04 0.00 0.87 0.00 0.00 54.58 53.73 2qpu n ASN 329 Cb 0.80 -0.06 0.08 0.00 -1.02 0.00 0.00 39.78 39.58 2qpu n ASN 329 CO 0.00 0.00 0.00 0.79 -1.83 0.00 0.00 177.26 176.22 2qpu n TRP 330 N 0.52 0.20 -1.48 3.10 7.02 -1.07 -4.98 117.44 120.75 2qpu n TRP 330 Ca 0.07 -0.30 -0.07 0.00 -1.02 0.00 0.00 57.50 56.18 2qpu n TRP 330 Cb 0.30 -0.02 -0.02 0.00 -2.42 0.00 0.00 31.31 29.15 2qpu n TRP 330 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2qpu n GLY 331 N 0.31 0.65 0.38 6.99 0.00 -1.26 -4.92 105.19 107.33 2qpu n GLY 331 Ca 0.07 -0.71 0.04 0.00 0.00 0.00 0.00 46.02 45.42 2qpu n GLY 331 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qpu n PHE 332 N -3.17 0.30 0.02 1.61 3.72 -1.26 -4.81 117.46 113.87 2qpu n PHE 332 Ca -0.07 -0.58 -0.11 0.00 -0.05 0.00 0.00 57.45 56.64 2qpu n PHE 332 Cb 0.32 -0.08 -0.04 0.00 -0.94 0.00 0.00 39.48 38.75 2qpu n PHE 332 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2qpu h LYS 333 N 1.08 -0.38 -0.78 -1.08 3.64 -1.74 -0.69 116.57 116.63 2qpu h LYS 333 Ca 0.00 0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 2qpu h LYS 333 Cb 0.74 0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.61 2qpu h LYS 333 CO 0.02 -0.25 0.39 -0.44 -2.27 0.00 0.00 179.45 176.91 2qpu h ASP 334 N -0.39 1.00 -0.64 4.20 3.32 -1.88 -0.88 116.42 121.15 2qpu h ASP 334 Ca 0.09 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 56.95 2qpu h ASP 334 Cb 0.52 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.79 2qpu h ASP 334 CO -0.31 0.83 0.15 1.56 -1.72 0.00 0.00 179.24 179.75 2qpu h GLN 335 N 1.09 1.03 -0.33 3.56 4.20 -1.81 -0.99 115.11 121.85 2qpu h GLN 335 Ca 0.27 -0.25 -0.15 0.00 0.06 0.00 0.00 58.65 58.57 2qpu h GLN 335 Cb 0.08 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.73 2qpu h GLN 335 CO -0.04 0.93 -0.40 0.82 -0.67 0.00 0.00 178.83 179.48 2qpu h ILE 336 N 0.95 1.28 -0.85 2.54 2.04 -0.97 -2.73 117.51 119.77 2qpu h ILE 336 Ca 0.20 -1.57 -0.01 0.00 1.00 0.00 0.00 64.86 64.48 2qpu h ILE 336 Cb 0.37 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.91 2qpu h ILE 336 CO 0.00 0.52 0.49 0.00 0.00 0.00 0.00 178.15 179.16 2qpu h ALA 337 N 0.73 1.27 -0.56 1.87 0.00 -1.00 -1.90 119.26 119.67 2qpu h ALA 337 Ca 0.04 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2qpu h ALA 337 Cb 0.99 -0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 2qpu h ALA 337 CO 0.10 0.61 0.22 0.00 0.00 0.00 0.00 179.25 180.18 2qpu h ALA 338 N 1.37 1.33 -0.38 0.00 0.00 -1.06 -1.45 119.26 119.06 2qpu h ALA 338 Ca 0.30 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 2qpu h ALA 338 Cb -0.02 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2qpu h ALA 338 CO -0.05 0.50 -0.31 -0.07 0.00 0.00 0.00 179.25 179.32 2qpu h LEU 339 N 0.81 0.94 -0.81 0.00 3.38 -1.06 -2.14 115.31 116.42 2qpu h LEU 339 Ca 0.19 -0.45 -0.07 0.00 0.09 0.00 0.00 57.88 57.65 2qpu h LEU 339 Cb 0.16 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2qpu h LEU 339 CO -0.02 1.19 0.14 0.58 0.09 0.00 0.00 178.44 180.42 2qpu h VAL 340 N 0.70 1.25 -0.76 1.22 2.07 -1.08 -1.67 116.25 117.99 2qpu h VAL 340 Ca 0.07 -0.95 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 2qpu h VAL 340 Cb 0.89 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 2qpu h VAL 340 CO 0.08 0.36 0.41 0.00 0.02 0.00 0.00 177.57 178.44 2qpu h ALA 341 N 1.17 1.29 -0.45 1.67 0.00 -1.12 0.60 119.26 122.41 2qpu h ALA 341 Ca 0.20 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2qpu h ALA 341 Cb 0.37 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2qpu h ALA 341 CO 0.00 0.57 0.04 0.82 0.00 0.00 0.00 179.25 180.68 2qpu h ILE 342 N 1.06 1.25 -0.39 0.00 2.04 -0.95 0.89 117.51 121.42 2qpu h ILE 342 Ca 0.27 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 2qpu h ILE 342 Cb 0.03 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.10 2qpu h ILE 342 CO -0.04 0.34 0.21 -0.09 0.00 0.00 0.00 178.15 178.57 2qpu h ARG 343 N 0.63 0.54 -0.09 2.37 2.43 -0.57 -2.23 114.38 117.46 2qpu h ARG 343 Ca 0.13 -0.06 -0.03 0.00 -0.81 0.00 0.00 59.98 59.22 2qpu h ARG 343 Cb 0.44 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 2qpu h ARG 343 CO 0.02 0.43 -0.05 -0.22 -1.51 0.00 0.00 179.97 178.64 2qpu h LYS 344 N 0.50 0.19 -0.01 0.20 3.64 -0.76 -1.37 116.57 118.95 2qpu h LYS 344 Ca 0.14 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2qpu h LYS 344 Cb 0.05 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.86 2qpu h LYS 344 CO -0.02 0.55 0.01 -0.09 -2.27 0.00 0.00 179.45 177.63 2qpu h ARG 345 N -0.18 0.00 -0.49 1.90 2.43 -0.79 -2.18 114.38 115.07 2qpu h ARG 345 Ca 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2qpu h ARG 345 Cb 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2qpu h ARG 345 CO 0.01 0.00 0.00 0.09 -1.51 0.00 0.00 179.97 178.56 2qpu n ASN 346 N -4.53 3.35 -1.82 -3.80 3.02 -0.84 -4.96 115.26 105.69 2qpu n ASN 346 Ca -0.03 -1.97 -0.17 0.00 -0.03 0.00 0.00 54.58 52.39 2qpu n ASN 346 Cb 0.10 -0.32 -0.02 0.00 -0.61 0.00 0.00 39.78 38.94 2qpu n ASN 346 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qpu n GLY 347 N 1.50 -0.08 3.73 7.41 0.00 -0.82 -4.97 105.19 111.97 2qpu n GLY 347 Ca 0.20 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 2qpu n GLY 347 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qpu s ILE 348 N -2.80 3.73 0.36 -0.61 -1.09 -0.53 -4.98 121.20 115.28 2qpu s ILE 348 Ca 0.00 1.44 0.06 0.00 -2.23 0.00 0.00 60.65 59.92 2qpu s ILE 348 Cb 0.00 -3.92 -0.03 0.00 -1.58 0.00 0.00 42.46 36.93 2qpu s ILE 348 CO 0.00 0.22 0.22 0.42 -1.23 0.00 0.00 174.94 174.57 2qpu s THR 349 N 0.01 0.22 0.51 2.92 -4.23 -1.26 -4.64 115.64 109.17 2qpu s THR 349 Ca 0.52 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.25 2qpu s THR 349 Cb -0.31 -2.43 0.37 0.00 1.34 0.00 0.00 72.50 71.46 2qpu s THR 349 CO 0.35 0.00 2.01 0.00 -0.54 0.00 0.00 174.62 176.44 2qpu h ALA 350 N 2.01 2.33 -0.66 3.99 0.00 -1.90 -1.85 119.26 123.18 2qpu h ALA 350 Ca -0.29 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2qpu h ALA 350 Cb 1.25 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2qpu h ALA 350 CO 0.45 -0.46 0.00 0.25 0.00 0.00 0.00 179.25 179.49 2qpu n THR 351 N -4.42 1.80 -1.68 0.00 -2.24 -1.26 -0.90 114.28 105.58 2qpu n THR 351 Ca 0.08 -1.19 -0.37 0.00 -2.27 0.00 0.00 64.05 60.30 2qpu n THR 351 Cb 0.49 0.15 0.06 0.00 -2.10 0.00 0.00 70.33 68.93 2qpu n THR 351 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2qpu n SER 352 N 1.17 1.47 -4.75 3.42 7.64 -0.70 -4.95 113.62 116.94 2qpu n SER 352 Ca 0.26 0.82 -0.40 0.00 1.01 0.00 0.00 58.87 60.56 2qpu n SER 352 Cb 0.88 -1.48 -0.05 0.00 -1.01 0.00 0.00 64.21 62.55 2qpu n SER 352 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qpu s ALA 353 N -1.44 3.35 -0.15 -0.43 0.00 -1.26 -4.62 121.76 117.20 2qpu s ALA 353 Ca 0.79 0.70 0.01 0.00 0.00 0.00 0.00 51.96 53.46 2qpu s ALA 353 Cb -0.40 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 19.47 2qpu s ALA 353 CO 0.44 0.06 -0.19 -1.17 0.00 0.00 0.00 175.76 174.89 2qpu s LEU 354 N -1.03 2.26 -0.24 0.00 2.96 -1.26 -1.32 118.68 120.04 2qpu s LEU 354 Ca 0.43 -0.56 0.02 0.00 -0.22 0.00 0.00 54.13 53.80 2qpu s LEU 354 Cb -0.27 -1.50 0.06 0.00 0.50 0.00 0.00 46.19 44.97 2qpu s LEU 354 CO 0.34 0.07 -0.08 -0.75 -1.32 0.00 0.00 176.35 174.61 2qpu s LYS 355 N 0.90 1.93 -0.21 1.98 2.20 -0.03 -4.99 119.74 121.52 2qpu s LYS 355 Ca -0.04 -1.10 -0.25 0.00 -0.36 0.00 0.00 55.97 54.22 2qpu s LYS 355 Cb -0.15 -2.68 -0.01 0.00 -1.51 0.00 0.00 37.83 33.48 2qpu s LYS 355 CO -0.03 -0.56 0.82 0.42 -0.36 0.00 0.00 175.35 175.64 2qpu s ILE 356 N 1.28 4.87 -0.12 5.43 1.01 -1.26 -0.12 121.20 132.29 2qpu s ILE 356 Ca -0.06 1.57 0.19 0.00 0.00 0.00 0.00 60.65 62.35 2qpu s ILE 356 Cb -0.19 -4.11 -0.22 0.00 0.01 0.00 0.00 42.46 37.94 2qpu s ILE 356 CO -0.06 -0.01 0.50 0.18 0.00 0.00 0.00 174.94 175.54 2qpu n LEU 357 N 5.58 0.34 -3.70 2.97 4.77 0.57 -4.96 117.00 122.58 2qpu n LEU 357 Ca 0.05 0.15 -0.12 0.00 -0.03 0.00 0.00 56.01 56.05 2qpu n LEU 357 Cb 0.48 0.18 -0.10 0.00 -2.33 0.00 0.00 43.42 41.65 2qpu n LEU 357 CO 0.47 0.20 0.14 -0.32 -1.33 0.00 0.00 177.39 176.56 2qpu s MET 358 N -2.98 0.53 -0.40 3.23 0.00 -0.81 -4.93 119.30 113.93 2qpu s MET 358 Ca -0.06 0.74 0.10 0.00 0.00 0.00 0.00 55.69 56.46 2qpu s MET 358 Cb 0.09 0.18 0.32 0.00 0.00 0.00 0.00 34.83 35.43 2qpu s MET 358 CO 0.84 -0.10 0.80 -2.39 0.00 0.00 0.00 175.02 174.18 2qpu n HIS 359 N 3.33 -0.83 -3.17 4.11 1.44 -1.24 -0.93 115.22 117.92 2qpu n HIS 359 Ca -0.17 -3.26 -0.19 0.00 -2.01 0.00 0.00 57.72 52.09 2qpu n HIS 359 Cb 0.56 0.20 0.01 0.00 0.12 0.00 0.00 29.99 30.88 2qpu n HIS 359 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2qpu s GLU 360 N -1.43 2.96 0.30 -1.40 2.02 -0.29 -3.89 118.70 116.97 2qpu s GLU 360 Ca 0.35 -0.96 0.05 0.00 0.02 0.00 0.00 54.97 54.43 2qpu s GLU 360 Cb 0.30 -2.72 0.72 0.00 0.10 0.00 0.00 34.13 32.53 2qpu s GLU 360 CO -0.09 -0.17 1.79 0.78 0.02 0.00 0.00 175.26 177.59 2qpu h GLY 361 N 0.64 1.74 -2.12 -1.39 0.00 -1.89 -2.48 103.07 97.59 2qpu h GLY 361 Ca -0.44 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.52 2qpu h GLY 361 CO 0.51 -0.02 0.00 2.09 0.00 0.00 0.00 176.54 179.12 2qpu n ASP 362 N -4.73 3.42 -3.63 0.19 5.68 -1.26 -2.12 116.55 114.09 2qpu n ASP 362 Ca 0.23 -1.96 -0.02 0.00 -0.50 0.00 0.00 54.79 52.53 2qpu n ASP 362 Cb 0.54 -0.32 -0.05 0.00 -1.14 0.00 0.00 41.12 40.15 2qpu n ASP 362 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2qpu s ALA 363 N -1.16 -2.07 -0.12 2.12 0.00 -0.93 -1.97 121.76 117.63 2qpu s ALA 363 Ca 0.37 2.34 0.02 0.00 0.00 0.00 0.00 51.96 54.69 2qpu s ALA 363 Cb 0.20 -1.71 -0.00 0.00 0.00 0.00 0.00 23.12 21.61 2qpu s ALA 363 CO 0.27 -0.78 -0.20 -0.47 0.00 0.00 0.00 175.76 174.59 2qpu s TYR 364 N 2.50 2.66 -0.03 0.00 5.04 -0.65 -1.14 117.35 125.73 2qpu s TYR 364 Ca -0.07 -0.96 0.02 0.00 -2.44 0.00 0.00 57.07 53.62 2qpu s TYR 364 Cb -0.09 -1.77 0.01 0.00 0.35 0.00 0.00 41.96 40.45 2qpu s TYR 364 CO -0.19 -0.38 -0.06 0.08 -1.34 0.00 0.00 175.55 173.66 2qpu s VAL 365 N 0.43 0.56 0.04 3.14 1.01 -0.11 -1.68 120.40 123.79 2qpu s VAL 365 Ca -0.14 -0.20 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 2qpu s VAL 365 Cb -0.17 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.64 2qpu s VAL 365 CO 0.06 0.20 0.00 0.00 0.00 0.00 0.00 175.10 175.37 2qpu s ALA 366 N 0.51 0.25 -0.10 5.51 0.00 -0.31 -0.31 121.76 127.31 2qpu s ALA 366 Ca -0.07 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.06 2qpu s ALA 366 Cb -0.10 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.25 2qpu s ALA 366 CO 0.00 -0.30 -0.24 -2.00 0.00 0.00 0.00 175.76 173.23 2qpu s GLU 367 N -2.89 3.01 -0.15 0.00 2.12 0.83 -0.59 118.70 121.03 2qpu s GLU 367 Ca -0.03 -0.87 0.00 0.00 0.36 0.00 0.00 54.97 54.44 2qpu s GLU 367 Cb 0.01 -2.29 -0.00 0.00 0.26 0.00 0.00 34.13 32.11 2qpu s GLU 367 CO -0.06 0.16 -0.15 0.42 -0.54 0.00 0.00 175.26 175.09 2qpu s ILE 368 N 0.38 2.74 -1.15 -3.70 1.09 0.69 -0.85 121.20 120.41 2qpu s ILE 368 Ca -0.18 -0.75 0.00 0.00 -1.10 0.00 0.00 60.65 58.62 2qpu s ILE 368 Cb -0.18 -2.16 0.00 0.00 -1.06 0.00 0.00 42.46 39.07 2qpu s ILE 368 CO 0.08 0.52 0.00 0.47 -0.10 0.00 0.00 174.94 175.91 2qpu n ASP 369 N 3.95 -3.20 -1.56 3.58 8.00 -0.44 -1.34 116.55 125.54 2qpu n ASP 369 Ca -0.19 0.26 -0.20 0.00 0.71 0.00 0.00 54.79 55.37 2qpu n ASP 369 Cb 0.52 -2.96 -0.09 0.00 -0.02 0.00 0.00 41.12 38.57 2qpu n ASP 369 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qpu n GLY 370 N -0.37 1.94 0.00 0.44 0.00 -1.26 -4.78 105.19 101.16 2qpu n GLY 370 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 2qpu n GLY 370 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qpu n LYS 371 N -2.29 2.58 -4.06 1.61 5.02 -0.45 -4.91 118.16 115.66 2qpu n LYS 371 Ca -0.20 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 55.93 2qpu n LYS 371 Cb 0.68 -0.73 -0.15 0.00 -0.02 0.00 0.00 35.03 34.82 2qpu n LYS 371 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qpu s VAL 372 N -1.24 0.30 -0.04 -0.18 0.11 -0.99 -2.51 120.40 115.85 2qpu s VAL 372 Ca 0.00 -0.11 0.07 0.00 -2.93 0.00 0.00 61.98 59.01 2qpu s VAL 372 Cb 0.00 -0.29 -0.01 0.00 -1.53 0.00 0.00 36.38 34.55 2qpu s VAL 372 CO 0.00 0.11 -0.24 -0.69 -3.33 0.00 0.00 175.10 170.95 2qpu s VAL 373 N 0.23 1.95 0.06 2.04 1.01 -0.75 -0.22 120.40 124.72 2qpu s VAL 373 Ca -0.02 -1.03 0.05 0.00 0.00 0.00 0.00 61.98 60.98 2qpu s VAL 373 Cb -0.05 -1.64 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 2qpu s VAL 373 CO -0.00 0.55 -0.14 0.54 0.00 0.00 0.00 175.10 176.04 2qpu s VAL 374 N -0.34 1.08 -0.00 2.92 0.11 0.24 -0.17 120.40 124.24 2qpu s VAL 374 Ca 0.02 -1.19 0.00 0.00 -2.93 0.00 0.00 61.98 57.88 2qpu s VAL 374 Cb -0.12 -1.03 0.01 0.00 -1.53 0.00 0.00 36.38 33.71 2qpu s VAL 374 CO 0.01 -0.16 0.01 -0.75 -3.33 0.00 0.00 175.10 170.88 2qpu s LYS 375 N -1.53 -0.01 0.05 1.54 2.36 -0.23 -1.16 119.74 120.76 2qpu s LYS 375 Ca -0.01 0.04 0.02 0.00 -2.55 0.00 0.00 55.97 53.46 2qpu s LYS 375 Cb -0.09 -0.05 -0.03 0.00 -1.05 0.00 0.00 37.83 36.61 2qpu s LYS 375 CO 0.02 -0.03 -0.07 0.96 1.55 0.00 0.00 175.35 177.77 2qpu s ILE 376 N 0.21 0.55 0.00 5.43 -4.36 -0.68 -1.37 121.20 120.98 2qpu s ILE 376 Ca -0.02 -1.26 0.00 0.00 -0.26 0.00 0.00 60.65 59.11 2qpu s ILE 376 Cb -0.02 -0.83 0.00 0.00 1.25 0.00 0.00 42.46 42.86 2qpu s ILE 376 CO -0.01 -0.50 0.00 0.61 0.24 0.00 0.00 174.94 175.29 2qpu n GLY 377 N 1.14 3.86 0.22 6.27 0.00 -0.23 -1.64 105.19 114.81 2qpu n GLY 377 Ca -0.21 -1.72 0.11 0.00 0.00 0.00 0.00 46.02 44.20 2qpu n GLY 377 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qpu h PRO 378 N 0.00 0.00 -6.23 1.61 0.13 -1.79 -3.42 132.00 122.30 2qpu h PRO 378 Ca 0.00 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.58 2qpu h PRO 378 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2qpu h PRO 378 CO 0.00 0.17 1.04 0.50 -0.23 0.00 0.00 178.00 179.47 2qpu s ARG 379 N -3.48 4.18 -0.02 0.86 3.52 -0.83 -4.91 118.95 118.26 2qpu s ARG 379 Ca 0.02 2.02 -0.25 0.00 -0.13 0.00 0.00 55.73 57.39 2qpu s ARG 379 Cb 0.09 -3.92 -0.19 0.00 -1.56 0.00 0.00 34.95 29.37 2qpu s ARG 379 CO 0.64 -0.82 1.18 -0.92 -0.81 0.00 0.00 175.30 174.56 2qpu h TYR 380 N 9.19 -0.12 -3.48 5.12 5.03 -1.90 -3.44 116.97 127.37 2qpu h TYR 380 Ca -0.35 -0.00 -0.59 0.00 2.58 0.00 0.00 58.73 60.36 2qpu h TYR 380 Cb 1.15 0.04 -0.09 0.00 1.55 0.00 0.00 36.73 39.38 2qpu h TYR 380 CO 0.86 0.33 0.61 0.34 -1.32 0.00 0.00 178.16 178.98 2qpu s ASP 381 N -5.52 6.69 0.00 -2.11 3.68 -1.26 -4.79 116.67 113.36 2qpu s ASP 381 Ca -0.15 0.60 0.00 0.00 2.13 0.00 0.00 52.55 55.13 2qpu s ASP 381 Cb 0.01 -2.47 0.00 0.00 -1.45 0.00 0.00 42.92 39.02 2qpu s ASP 381 CO 0.61 -0.86 0.56 1.33 0.13 0.00 0.00 175.17 176.94 2qpu n VAL 382 N 5.98 0.00 -0.29 1.11 0.24 -1.26 -4.95 118.33 119.15 2qpu n VAL 382 Ca 0.07 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.48 2qpu n VAL 382 Cb 0.48 0.84 0.25 0.00 -1.47 0.00 0.00 33.84 33.94 2qpu n VAL 382 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2qpu h GLY 383 N 0.00 1.18 2.00 7.63 0.00 -1.98 -0.85 103.07 111.05 2qpu h GLY 383 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2qpu h GLY 383 CO 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 176.54 176.18 2qpu h ALA 384 N 1.78 1.00 0.00 3.60 0.00 -2.02 -2.44 119.26 121.18 2qpu h ALA 384 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.42 2qpu h ALA 384 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2qpu h ALA 384 CO -0.69 0.00 -0.75 1.55 0.00 0.00 0.00 179.25 179.36 2qpu n VAL 385 N -2.57 0.30 -2.24 0.00 3.14 -0.33 -4.87 118.33 111.77 2qpu n VAL 385 Ca -0.00 -0.27 -0.42 0.00 -2.96 0.00 0.00 64.34 60.69 2qpu n VAL 385 Cb 0.15 -0.04 -0.03 0.00 -1.06 0.00 0.00 33.84 32.87 2qpu n VAL 385 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 2qpu s ILE 386 N -3.18 3.67 0.80 1.55 -1.09 -0.92 -4.99 121.20 117.05 2qpu s ILE 386 Ca 0.05 1.11 -0.13 0.00 -2.23 0.00 0.00 60.65 59.46 2qpu s ILE 386 Cb 0.14 -3.72 0.08 0.00 -1.58 0.00 0.00 42.46 37.38 2qpu s ILE 386 CO 0.74 0.03 1.20 -2.84 -1.23 0.00 0.00 174.94 172.85 2qpu s PRO 387 N 1.90 1.66 0.54 2.79 0.02 -1.26 -4.95 135.00 135.70 2qpu s PRO 387 Ca 0.63 1.74 -0.21 0.00 0.02 0.00 0.00 61.00 63.18 2qpu s PRO 387 Cb -0.32 -1.78 -0.05 0.00 0.02 0.00 0.00 34.50 32.37 2qpu s PRO 387 CO 0.28 -2.19 1.27 0.00 -0.33 0.00 0.00 177.00 176.02 2qpu s ALA 388 N -2.17 2.75 0.00 -1.55 0.00 -1.26 -3.38 121.76 116.15 2qpu s ALA 388 Ca 0.73 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.83 2qpu s ALA 388 Cb -0.28 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.35 2qpu s ALA 388 CO 0.50 -1.16 0.00 0.41 0.00 0.00 0.00 175.76 175.51 2qpu n GLY 389 N 0.61 0.85 3.80 0.00 0.00 -1.26 -5.06 105.19 104.13 2qpu n GLY 389 Ca 0.11 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.79 2qpu n GLY 389 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qpu s PHE 390 N -2.95 3.36 0.02 1.61 0.40 -1.22 -4.45 117.98 114.75 2qpu s PHE 390 Ca 0.00 0.28 0.03 0.00 -0.60 0.00 0.00 56.93 56.64 2qpu s PHE 390 Cb 0.00 -1.79 -0.01 0.00 0.51 0.00 0.00 43.02 41.73 2qpu s PHE 390 CO 0.00 0.59 -0.09 0.54 0.70 0.00 0.00 175.22 176.95 2qpu s VAL 391 N -1.15 0.70 0.24 -0.44 0.11 -0.91 -4.94 120.40 114.00 2qpu s VAL 391 Ca 0.21 -0.66 -0.31 0.00 -2.93 0.00 0.00 61.98 58.29 2qpu s VAL 391 Cb -0.12 -0.64 -0.13 0.00 -1.53 0.00 0.00 36.38 33.96 2qpu s VAL 391 CO 0.12 -0.00 1.55 0.41 -3.33 0.00 0.00 175.10 173.84 2qpu n THR 392 N 2.32 0.64 -0.05 5.04 -1.04 -1.26 -1.76 114.28 118.16 2qpu n THR 392 Ca -0.17 -0.16 -0.07 0.00 -2.04 0.00 0.00 64.05 61.61 2qpu n THR 392 Cb 0.56 -1.72 -0.05 0.00 -1.82 0.00 0.00 70.33 67.30 2qpu n THR 392 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2qpu n SER 393 N 2.69 3.15 -3.76 8.00 2.88 0.15 -4.85 113.62 121.88 2qpu n SER 393 Ca 0.12 -0.06 -0.13 0.00 -1.33 0.00 0.00 58.87 57.48 2qpu n SER 393 Cb 0.33 -0.13 -0.09 0.00 -0.75 0.00 0.00 64.21 63.57 2qpu n SER 393 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qpu s ALA 394 N -2.21 -0.77 0.16 -1.46 0.00 -1.05 -5.01 121.76 111.41 2qpu s ALA 394 Ca -0.14 0.31 -0.23 0.00 0.00 0.00 0.00 51.96 51.89 2qpu s ALA 394 Cb 0.04 0.08 0.07 0.00 0.00 0.00 0.00 23.12 23.31 2qpu s ALA 394 CO 0.25 -0.26 0.64 -3.38 0.00 0.00 0.00 175.76 173.01 2qpu s HIS 395 N -1.35 -0.49 0.00 0.00 -3.43 -1.26 -0.09 115.29 108.67 2qpu s HIS 395 Ca -0.14 0.27 0.00 0.00 -0.80 0.00 0.00 55.06 54.39 2qpu s HIS 395 Cb -0.05 0.57 0.00 0.00 -1.43 0.00 0.00 32.58 31.67 2qpu s HIS 395 CO 0.04 -0.86 0.00 0.41 -2.00 0.00 0.00 174.74 172.34 2qpu n GLY 396 N -0.38 2.26 3.59 -1.38 0.00 -0.50 -4.99 105.19 103.80 2qpu n GLY 396 Ca -0.15 -0.66 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 2qpu n GLY 396 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2qpu s ASN 397 N 2.00 5.37 -1.68 1.61 2.47 -1.26 -2.73 114.94 120.72 2qpu s ASN 397 Ca 0.00 1.70 -0.01 0.00 0.42 0.00 0.00 52.86 54.98 2qpu s ASN 397 Cb 0.00 -2.51 0.00 0.00 -1.45 0.00 0.00 41.25 37.29 2qpu s ASN 397 CO 0.00 -2.06 0.08 0.47 -3.72 0.00 0.00 177.10 171.88 2qpu n ASP 398 N 12.10 -5.74 -3.61 -4.21 8.00 -1.26 -4.68 116.55 117.16 2qpu n ASP 398 Ca 0.30 -0.06 -0.15 0.00 0.71 0.00 0.00 54.79 55.59 2qpu n ASP 398 Cb 0.46 -4.74 -0.06 0.00 -0.02 0.00 0.00 41.12 36.76 2qpu n ASP 398 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2qpu s TYR 399 N -3.02 -0.44 -0.04 1.24 1.13 -1.10 -1.07 117.35 114.05 2qpu s TYR 399 Ca 0.04 0.65 -0.24 0.00 -1.41 0.00 0.00 57.07 56.11 2qpu s TYR 399 Cb -0.02 0.30 0.05 0.00 -1.10 0.00 0.00 41.96 41.19 2qpu s TYR 399 CO 0.05 -0.56 0.53 0.00 -2.51 0.00 0.00 175.55 173.06 2qpu s ALA 400 N -1.70 -1.37 -0.02 9.51 0.00 -0.47 -1.42 121.76 126.30 2qpu s ALA 400 Ca -0.09 0.92 0.03 0.00 0.00 0.00 0.00 51.96 52.81 2qpu s ALA 400 Cb -0.02 0.02 -0.00 0.00 0.00 0.00 0.00 23.12 23.12 2qpu s ALA 400 CO 0.04 -0.32 -0.09 0.08 0.00 0.00 0.00 175.76 175.47 2qpu s VAL 401 N -1.23 0.71 0.15 0.00 1.01 0.87 -1.07 120.40 120.84 2qpu s VAL 401 Ca -0.12 -0.35 0.10 0.00 0.00 0.00 0.00 61.98 61.61 2qpu s VAL 401 Cb -0.02 -0.62 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 2qpu s VAL 401 CO 0.08 0.21 -0.20 0.26 0.00 0.00 0.00 175.10 175.45 2qpu s TRP 402 N 0.00 2.44 0.09 5.22 0.51 0.76 0.30 118.94 128.26 2qpu s TRP 402 Ca 0.00 -0.31 0.08 0.00 -2.12 0.00 0.00 56.10 53.75 2qpu s TRP 402 Cb -0.06 -1.26 -0.03 0.00 -0.81 0.00 0.00 33.47 31.31 2qpu s TRP 402 CO -0.00 0.43 -0.20 -1.21 -0.51 0.00 0.00 176.95 175.45 2qpu s GLU 403 N -2.37 1.14 0.00 4.98 2.02 -0.72 -1.80 118.70 121.94 2qpu s GLU 403 Ca 0.19 -1.09 0.25 0.00 0.02 0.00 0.00 54.97 54.34 2qpu s GLU 403 Cb -0.09 -1.35 0.46 0.00 0.10 0.00 0.00 34.13 33.25 2qpu s GLU 403 CO 0.10 0.32 1.41 1.17 0.02 0.00 0.00 175.26 178.28