#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 0.14 -0.10 1.57 0.74 -1.26 -4.95 119.66 115.80 2qpu s GLN 2 Ca 0.00 0.62 -0.04 0.00 0.05 0.00 0.00 55.36 55.99 2qpu s GLN 2 Cb 0.00 -0.11 0.05 0.00 1.10 0.00 0.00 33.01 34.05 2qpu s GLN 2 CO 0.00 -0.24 0.20 0.08 -0.55 0.00 0.00 175.29 174.77 2qpu s VAL 3 N 1.95 -0.24 0.37 1.34 1.01 -1.26 -4.47 120.40 119.10 2qpu s VAL 3 Ca -0.02 0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.24 2qpu s VAL 3 Cb -0.11 -0.33 -0.02 0.00 0.00 0.00 0.00 36.38 35.91 2qpu s VAL 3 CO -0.08 0.12 0.57 -0.76 0.00 0.00 0.00 175.10 174.95 2qpu s LEU 4 N 1.99 3.92 -0.11 3.92 1.02 0.08 -0.80 118.68 128.70 2qpu s LEU 4 Ca -0.01 0.37 -0.04 0.00 0.02 0.00 0.00 54.13 54.47 2qpu s LEU 4 Cb -0.12 -3.24 0.06 0.00 0.02 0.00 0.00 46.19 42.90 2qpu s LEU 4 CO -0.07 -0.40 0.23 0.12 0.02 0.00 0.00 176.35 176.25 2qpu s PHE 5 N -2.37 -0.34 -0.43 0.29 2.19 -0.37 -0.66 117.98 116.30 2qpu s PHE 5 Ca 0.42 0.83 -0.26 0.00 0.33 0.00 0.00 56.93 58.25 2qpu s PHE 5 Cb -0.10 -0.07 0.02 0.00 -1.31 0.00 0.00 43.02 41.57 2qpu s PHE 5 CO 0.36 -0.30 0.97 -1.14 1.83 0.00 0.00 175.22 176.95 2qpu s GLN 6 N 2.07 3.70 -0.44 10.12 0.74 0.59 -0.22 119.66 136.22 2qpu s GLN 6 Ca -0.01 0.42 -0.02 0.00 0.05 0.00 0.00 55.36 55.79 2qpu s GLN 6 Cb -0.12 -3.87 0.19 0.00 1.10 0.00 0.00 33.01 30.31 2qpu s GLN 6 CO -0.08 -1.15 2.33 0.41 -0.55 0.00 0.00 175.29 176.25 2qpu n GLY 7 N 4.69 4.50 3.61 2.59 0.00 0.08 -1.91 105.19 118.74 2qpu n GLY 7 Ca 0.08 -1.64 -0.02 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.15 -0.09 0.15 1.61 -0.71 -1.26 -4.86 117.98 110.68 2qpu s PHE 8 Ca 0.47 0.01 0.03 0.00 -1.04 0.00 0.00 56.93 56.40 2qpu s PHE 8 Cb 0.34 0.53 -0.01 0.00 -1.21 0.00 0.00 43.02 42.67 2qpu s PHE 8 CO -0.12 -0.25 0.09 0.27 -1.34 0.00 0.00 175.22 173.88 2qpu n ASN 9 N -0.27 0.31 0.19 1.98 0.23 -1.26 -4.65 115.26 111.79 2qpu n ASN 9 Ca -0.04 -1.92 0.14 0.00 -0.53 0.00 0.00 54.58 52.24 2qpu n ASN 9 Cb 0.60 0.58 0.59 0.00 -2.08 0.00 0.00 39.78 39.48 2qpu n ASN 9 CO 0.00 0.00 0.00 -0.25 -0.93 0.00 0.00 177.26 176.08 2qpu h TRP 10 N 1.37 0.00 -0.01 -2.53 -0.00 -1.95 -2.87 115.95 109.96 2qpu h TRP 10 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.78 2qpu h TRP 10 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.67 2qpu h TRP 10 CO 0.00 0.00 -0.58 0.39 -0.00 0.00 0.00 178.44 178.25 2qpu n GLU 11 N -2.58 1.03 -0.25 2.65 -0.58 -1.26 -4.59 120.64 115.05 2qpu n GLU 11 Ca 0.01 -0.74 0.20 0.00 -0.42 0.00 0.00 57.16 56.22 2qpu n GLU 11 Cb 0.24 -1.45 0.52 0.00 -0.57 0.00 0.00 31.44 30.18 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 1.78 0.39 0.19 1.62 0.02 -1.91 -1.60 113.55 114.04 2qpu h SER 12 Ca 0.00 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.00 2qpu h SER 12 Cb 0.67 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.18 2qpu h SER 12 CO 0.00 0.15 0.00 4.11 -1.14 0.00 0.00 176.83 179.95 2qpu h TRP 13 N 0.39 0.00 -0.00 3.45 5.08 -1.82 -2.28 115.95 120.76 2qpu h TRP 13 Ca 0.48 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.45 2qpu h TRP 13 Cb 1.24 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.40 2qpu h TRP 13 CO -0.00 0.00 -0.36 1.63 -1.28 0.00 0.00 178.44 178.43 2qpu n LYS 14 N -2.93 0.06 -1.67 0.12 5.02 -0.60 -4.68 118.16 113.49 2qpu n LYS 14 Ca -0.02 -0.03 -0.53 0.00 -2.02 0.00 0.00 58.31 55.71 2qpu n LYS 14 Cb 0.11 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.56 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 -1.44 1.45 -1.79 1.97 -0.06 -0.86 -4.88 117.38 111.78 2qpu n GLN 15 Ca 0.06 0.53 -0.42 0.00 -2.00 0.00 0.00 57.00 55.17 2qpu n GLN 15 Cb 0.33 -2.24 -0.03 0.00 -4.06 0.00 0.00 30.24 24.24 2qpu n GLN 15 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 2qpu s SER 16 N 2.48 6.45 0.00 1.69 0.15 -1.26 -1.35 113.70 121.86 2qpu s SER 16 Ca 0.91 2.76 0.00 0.00 0.70 0.00 0.00 55.95 60.32 2qpu s SER 16 Cb -0.92 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 60.80 2qpu s SER 16 CO 0.55 -0.94 0.00 0.61 1.20 0.00 0.00 173.24 174.66 2qpu n GLY 17 N 3.97 1.84 0.00 9.45 0.00 -1.26 -4.84 105.19 114.35 2qpu n GLY 17 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 2.28 0.19 -0.02 0.00 -0.46 -4.67 105.19 100.52 2qpu n GLY 18 Ca 0.00 -1.51 -0.10 0.00 0.00 0.00 0.00 46.02 44.41 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 0.62 -0.58 1.61 2.91 -1.58 -2.53 115.95 116.40 2qpu h TRP 19 Ca 0.00 -0.07 0.00 0.00 1.13 0.00 0.00 58.89 59.95 2qpu h TRP 19 Cb 0.00 -0.18 -0.03 0.00 -0.51 0.00 0.00 29.16 28.44 2qpu h TRP 19 CO 0.00 0.61 0.38 1.88 -1.03 0.00 0.00 178.44 180.27 2qpu h TYR 20 N 0.46 0.74 -0.72 2.65 0.05 -1.87 -0.30 116.97 117.96 2qpu h TYR 20 Ca 0.12 0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.94 2qpu h TYR 20 Cb 0.29 -0.25 -0.05 0.00 1.01 0.00 0.00 36.73 37.74 2qpu h TYR 20 CO 0.02 0.48 0.45 -0.91 -1.05 0.00 0.00 178.16 177.14 2qpu h ASN 21 N 0.78 0.74 -0.68 3.88 2.35 -1.81 -1.75 115.58 119.10 2qpu h ASN 21 Ca 0.21 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.91 2qpu h ASN 21 Cb -0.07 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.11 2qpu h ASN 21 CO -0.04 0.51 0.21 -0.03 -1.65 0.00 0.00 177.43 176.43 2qpu h MET 22 N 0.88 1.05 0.00 0.81 4.05 -1.00 -2.75 114.93 117.97 2qpu h MET 22 Ca 0.29 -0.23 -0.00 0.00 -0.28 0.00 0.00 59.70 59.49 2qpu h MET 22 Cb 0.03 -0.15 -0.00 0.00 -0.80 0.00 0.00 31.60 30.68 2qpu h MET 22 CO -0.11 0.91 -0.00 0.52 0.23 0.00 0.00 176.91 178.45 2qpu h MET 23 N 0.99 0.00 -0.60 0.39 2.86 -0.17 -2.58 114.93 115.82 2qpu h MET 23 Ca 0.22 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.91 2qpu h MET 23 Cb 0.30 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.92 2qpu h MET 23 CO -0.01 0.00 0.40 0.52 1.06 0.00 0.00 176.91 178.89 2qpu h MET 24 N 0.00 0.63 -0.00 1.72 2.07 -1.15 0.11 114.93 118.31 2qpu h MET 24 Ca -0.00 -0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.59 2qpu h MET 24 Cb 0.14 -0.14 0.00 0.00 -1.87 0.00 0.00 31.60 29.72 2qpu h MET 24 CO 0.00 0.42 0.00 0.41 1.07 0.00 0.00 176.91 178.81 2qpu n GLY 25 N -1.47 -0.89 0.00 8.32 0.00 -0.97 -3.36 105.19 106.83 2qpu n GLY 25 Ca 0.08 -0.21 0.06 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.84 1.55 -0.15 1.61 4.76 -0.02 -4.70 118.16 120.37 2qpu n LYS 26 Ca 0.22 -0.06 -0.03 0.00 -2.87 0.00 0.00 58.31 55.57 2qpu n LYS 26 Cb 0.13 -1.18 0.04 0.00 -1.84 0.00 0.00 35.03 32.18 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 0.55 -0.68 -0.18 2.07 -1.46 -2.25 116.25 114.30 2qpu h VAL 27 Ca 0.00 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.53 2qpu h VAL 27 Cb 0.42 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.67 2qpu h VAL 27 CO 0.00 0.01 0.44 0.44 0.02 0.00 0.00 177.57 178.48 2qpu h ASP 28 N 0.04 0.74 -0.50 0.57 3.32 -1.84 -1.63 116.42 117.12 2qpu h ASP 28 Ca 0.24 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.18 2qpu h ASP 28 Cb 0.36 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 2qpu h ASP 28 CO -0.47 0.53 -0.06 0.44 -1.72 0.00 0.00 179.24 177.96 2qpu h ASP 29 N 0.88 0.95 0.01 6.45 3.32 -1.80 -0.32 116.42 125.93 2qpu h ASP 29 Ca 0.26 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 2qpu h ASP 29 Cb -0.04 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.25 2qpu h ASP 29 CO -0.08 1.04 -0.01 0.40 -1.72 0.00 0.00 179.24 178.87 2qpu h ILE 30 N 0.87 1.04 -0.52 0.35 2.04 -1.09 -1.71 117.51 118.50 2qpu h ILE 30 Ca 0.15 -0.17 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 2qpu h ILE 30 Cb 0.59 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 2qpu h ILE 30 CO 0.04 0.04 0.24 0.00 0.00 0.00 0.00 178.15 178.47 2qpu h ALA 31 N 0.89 0.68 0.00 1.87 0.00 -1.21 -2.39 119.26 119.10 2qpu h ALA 31 Ca -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2qpu h ALA 31 Cb 0.09 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2qpu h ALA 31 CO 0.00 0.26 -0.06 0.00 0.00 0.00 0.00 179.25 179.45 2qpu h ALA 32 N 1.08 1.41 0.00 0.00 0.00 -0.91 -1.59 119.26 119.25 2qpu h ALA 32 Ca 0.18 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2qpu h ALA 32 Cb 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2qpu h ALA 32 CO -0.02 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.31 2qpu n ALA 33 N -2.31 2.44 -0.31 0.00 0.00 -0.65 -4.91 120.51 114.78 2qpu n ALA 33 Ca -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2qpu n ALA 33 Cb 0.16 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.13 2qpu n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qpu n GLY 34 N 1.26 0.84 3.75 0.00 0.00 -0.60 -4.62 105.19 105.82 2qpu n GLY 34 Ca 0.13 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 3.46 -0.03 1.61 1.01 -1.16 -4.61 120.40 118.67 2qpu s VAL 35 Ca 0.00 1.35 0.14 0.00 0.00 0.00 0.00 61.98 63.47 2qpu s VAL 35 Cb 0.00 -3.86 -0.21 0.00 0.00 0.00 0.00 36.38 32.31 2qpu s VAL 35 CO 0.00 0.27 0.27 0.35 0.00 0.00 0.00 175.10 175.99 2qpu n THR 36 N 1.77 0.11 -3.78 3.92 -2.24 0.02 -4.72 114.28 109.36 2qpu n THR 36 Ca 0.01 -0.34 -0.13 0.00 -2.27 0.00 0.00 64.05 61.32 2qpu n THR 36 Cb 0.44 0.08 -0.13 0.00 -2.10 0.00 0.00 70.33 68.62 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 -2.88 -0.17 -0.15 4.78 3.76 -1.09 -0.77 115.29 118.76 2qpu s HIS 37 Ca -0.05 0.46 -0.01 0.00 -0.15 0.00 0.00 55.06 55.31 2qpu s HIS 37 Cb 0.08 -0.00 -0.01 0.00 1.11 0.00 0.00 32.58 33.76 2qpu s HIS 37 CO 0.57 -0.13 -0.12 0.08 -0.85 0.00 0.00 174.74 174.29 2qpu s VAL 38 N 0.63 2.99 -0.29 -0.90 1.01 0.19 -1.23 120.40 122.79 2qpu s VAL 38 Ca -0.05 -0.66 -0.21 0.00 0.00 0.00 0.00 61.98 61.06 2qpu s VAL 38 Cb -0.06 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 2qpu s VAL 38 CO -0.03 0.50 0.65 0.86 0.00 0.00 0.00 175.10 177.08 2qpu s TRP 39 N 0.70 3.23 0.14 5.22 -0.00 0.70 -0.22 118.94 128.70 2qpu s TRP 39 Ca -0.06 0.66 0.04 0.00 -0.00 0.00 0.00 56.10 56.74 2qpu s TRP 39 Cb -0.15 -2.99 -0.04 0.00 -0.00 0.00 0.00 33.47 30.29 2qpu s TRP 39 CO 0.02 -0.46 0.14 -0.51 -0.00 0.00 0.00 176.95 176.15 2qpu s LEU 40 N 2.63 3.89 1.09 5.86 1.43 0.31 -0.74 118.68 133.15 2qpu s LEU 40 Ca 0.26 -0.05 -0.14 0.00 -1.03 0.00 0.00 54.13 53.18 2qpu s LEU 40 Cb -0.15 -2.51 0.24 0.00 0.03 0.00 0.00 46.19 43.80 2qpu s LEU 40 CO 0.11 0.09 1.07 -2.16 0.23 0.00 0.00 176.35 175.69 2qpu s PRO 41 N -2.93 -0.33 0.04 1.29 0.04 -1.26 -2.01 135.00 129.84 2qpu s PRO 41 Ca 0.31 0.51 -0.32 0.00 0.04 0.00 0.00 61.00 61.54 2qpu s PRO 41 Cb -0.11 -1.65 -0.11 0.00 0.04 0.00 0.00 34.50 32.67 2qpu s PRO 41 CO 0.24 -3.24 1.87 -2.30 0.04 0.00 0.00 177.00 173.60 2qpu n PRO 42 N -4.53 2.56 0.08 0.56 -0.02 -1.26 -4.14 135.00 128.25 2qpu n PRO 42 Ca 0.05 0.94 0.13 0.00 -2.02 0.00 0.00 63.50 62.59 2qpu n PRO 42 Cb 0.57 -2.82 0.36 0.00 -0.02 0.00 0.00 33.50 31.58 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 6.28 0.23 -2.55 0.52 -0.04 -1.26 -4.81 135.00 133.38 2qpu n PRO 43 Ca 0.20 0.15 -0.23 0.00 -0.04 0.00 0.00 63.50 63.58 2qpu n PRO 43 Cb 0.35 -1.73 0.04 0.00 -0.04 0.00 0.00 33.50 32.12 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 -4.24 5.21 0.32 3.54 0.01 -1.26 -4.48 113.70 112.81 2qpu s SER 44 Ca 0.10 0.15 -0.28 0.00 1.31 0.00 0.00 55.95 57.22 2qpu s SER 44 Cb 0.13 -1.00 -0.13 0.00 0.21 0.00 0.00 66.02 65.23 2qpu s SER 44 CO 0.63 -1.22 1.22 1.57 0.41 0.00 0.00 173.24 175.85 2qpu n HIS 45 N -2.48 2.03 -3.79 2.43 -0.00 -0.77 -4.54 115.22 108.09 2qpu n HIS 45 Ca 0.07 0.59 -0.13 0.00 -0.00 0.00 0.00 57.72 58.25 2qpu n HIS 45 Cb 0.60 -2.38 -0.12 0.00 -0.00 0.00 0.00 29.99 28.09 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 -0.35 -0.24 0.40 0.26 0.15 -1.26 -1.60 113.70 111.06 2qpu s SER 46 Ca 0.57 0.46 0.10 0.00 0.70 0.00 0.00 55.95 57.78 2qpu s SER 46 Cb -0.61 0.47 0.82 0.00 -1.71 0.00 0.00 66.02 64.99 2qpu s SER 46 CO 0.61 -0.08 1.94 0.58 1.20 0.00 0.00 173.24 177.49 2qpu h VAL 47 N 4.80 1.16 -3.02 4.45 2.07 -1.53 -3.41 116.25 120.78 2qpu h VAL 47 Ca -0.26 -0.70 -0.61 0.00 0.82 0.00 0.00 66.70 65.95 2qpu h VAL 47 Cb 1.19 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 32.08 2qpu h VAL 47 CO 0.36 0.22 -0.30 -0.94 0.02 0.00 0.00 177.57 176.93 2qpu s SER 48 N -6.88 6.58 0.34 0.57 1.04 -1.26 -5.01 113.70 109.09 2qpu s SER 48 Ca -0.05 0.70 0.03 0.00 0.48 0.00 0.00 55.95 57.11 2qpu s SER 48 Cb 0.16 -2.14 0.66 0.00 0.10 0.00 0.00 66.02 64.79 2qpu s SER 48 CO 0.73 0.21 1.97 0.78 0.98 0.00 0.00 173.24 177.90 2qpu h ASN 49 N 3.85 0.74 0.90 7.02 2.35 -1.99 -2.45 115.58 125.99 2qpu h ASN 49 Ca -0.49 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.25 2qpu h ASN 49 Cb 1.20 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 39.40 2qpu h ASN 49 CO 0.66 0.50 0.00 -0.33 -1.65 0.00 0.00 177.43 176.61 2qpu h GLU 50 N 0.86 0.00 0.00 0.81 3.07 -1.93 -3.42 114.58 113.96 2qpu h GLU 50 Ca 0.30 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.16 2qpu h GLU 50 Cb 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.04 2qpu h GLU 50 CO -0.09 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 177.93 2qpu n GLY 51 N 0.18 0.68 1.11 -3.84 0.00 -0.92 -4.60 105.19 97.80 2qpu n GLY 51 Ca 0.02 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.08 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 -2.04 0.96 -3.11 1.61 4.01 -1.26 -3.97 117.16 113.35 2qpu n TYR 52 Ca 0.00 -0.35 -0.19 0.00 -0.16 0.00 0.00 57.90 57.20 2qpu n TYR 52 Cb 0.00 -0.25 -0.03 0.00 -0.31 0.00 0.00 39.34 38.76 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 0.39 1.35 -1.66 -0.72 2.81 -1.26 -5.02 117.12 113.02 2qpu n MET 53 Ca 0.14 -3.61 -0.41 0.00 -1.81 0.00 0.00 57.70 52.02 2qpu n MET 53 Cb 0.65 -1.76 0.02 0.00 -0.71 0.00 0.00 33.22 31.41 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 0.17 1.58 0.00 0.03 -0.04 -1.25 -1.31 135.00 134.17 2qpu n PRO 54 Ca 0.25 0.57 0.00 0.00 -0.04 0.00 0.00 63.50 64.28 2qpu n PRO 54 Cb 0.63 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.86 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 1.01 0.41 3.53 0.55 0.00 -0.63 -0.43 105.19 109.62 2qpu n GLY 55 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 3.53 0.39 1.61 0.52 -1.24 -4.75 118.95 119.00 2qpu s ARG 56 Ca 0.00 -1.18 0.09 0.00 -0.52 0.00 0.00 55.73 54.12 2qpu s ARG 56 Cb 0.00 -5.08 0.85 0.00 0.52 0.00 0.00 34.95 31.24 2qpu s ARG 56 CO 0.00 -2.08 1.96 -0.07 0.02 0.00 0.00 175.30 175.13 2qpu h LEU 57 N 12.17 0.56 0.00 2.53 3.38 -1.71 -1.39 115.31 130.84 2qpu h LEU 57 Ca 0.12 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.10 2qpu h LEU 57 Cb 1.02 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.66 2qpu h LEU 57 CO 1.32 0.34 -0.10 -1.22 0.09 0.00 0.00 178.44 178.88 2qpu n TYR 58 N -4.49 0.48 -2.49 1.13 4.01 0.13 -4.51 117.16 111.42 2qpu n TYR 58 Ca 0.11 0.14 -0.43 0.00 -0.16 0.00 0.00 57.90 57.56 2qpu n TYR 58 Cb 0.30 -0.70 0.00 0.00 -0.31 0.00 0.00 39.34 38.64 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 -1.91 4.84 0.09 7.72 -0.08 -0.53 -4.73 116.55 121.96 2qpu n ASP 59 Ca 0.06 -2.95 -0.05 0.00 -1.51 0.00 0.00 54.79 50.34 2qpu n ASP 59 Cb 0.39 -1.65 0.12 0.00 2.34 0.00 0.00 41.12 42.32 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 4.78 1.40 0.00 5.18 1.08 -1.79 -2.03 117.51 126.13 2qpu h ILE 60 Ca 0.43 -2.05 0.00 0.00 -0.39 0.00 0.00 64.86 62.85 2qpu h ILE 60 Cb 0.80 2.06 0.00 0.00 -3.07 0.00 0.00 36.82 36.60 2qpu h ILE 60 CO 1.50 0.60 0.00 0.47 -0.69 0.00 0.00 178.15 180.03 2qpu n ASP 61 N -3.85 0.03 0.05 1.72 8.00 -1.26 -2.20 116.55 119.05 2qpu n ASP 61 Ca -0.02 0.51 0.12 0.00 0.71 0.00 0.00 54.79 56.11 2qpu n ASP 61 Cb 0.63 -0.52 0.17 0.00 -0.02 0.00 0.00 41.12 41.38 2qpu n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2qpu n ALA 62 N -1.51 3.02 -1.75 2.24 0.00 -1.17 -4.71 120.51 116.63 2qpu n ALA 62 Ca 0.02 -0.27 -0.38 0.00 0.00 0.00 0.00 53.44 52.81 2qpu n ALA 62 Cb 0.11 -1.15 0.05 0.00 0.00 0.00 0.00 19.45 18.46 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 -4.09 5.15 0.23 0.00 0.15 -0.93 -4.79 113.70 109.41 2qpu s SER 63 Ca 0.06 2.78 0.26 0.00 0.70 0.00 0.00 55.95 59.75 2qpu s SER 63 Cb 0.14 -2.64 0.83 0.00 -1.71 0.00 0.00 66.02 62.64 2qpu s SER 63 CO 0.73 -1.65 1.76 0.29 1.20 0.00 0.00 173.24 175.57 2qpu n LYS 64 N -1.14 0.26 0.07 5.44 4.76 -1.26 -3.37 118.16 122.92 2qpu n LYS 64 Ca 0.11 0.26 -0.08 0.00 -2.87 0.00 0.00 58.31 55.72 2qpu n LYS 64 Cb 0.45 -1.83 -0.12 0.00 -1.84 0.00 0.00 35.03 31.70 2qpu n LYS 64 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 2qpu h TYR 65 N 0.00 0.08 0.00 2.13 0.05 -1.89 -3.42 116.97 113.92 2qpu h TYR 65 Ca 0.00 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.72 2qpu h TYR 65 Cb 0.68 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.42 2qpu h TYR 65 CO 0.00 1.04 0.00 0.41 -1.05 0.00 0.00 178.16 178.56 2qpu n GLY 66 N 1.35 2.77 3.30 3.88 0.00 -1.22 -1.95 105.19 113.33 2qpu n GLY 66 Ca -0.01 -1.26 -0.21 0.00 0.00 0.00 0.00 46.02 44.53 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 0.86 -0.31 1.61 0.23 -1.26 -4.41 115.26 111.98 2qpu n ASN 67 Ca 0.00 -1.82 -0.02 0.00 -0.53 0.00 0.00 54.58 52.21 2qpu n ASN 67 Cb 0.00 -0.64 0.11 0.00 -2.08 0.00 0.00 39.78 37.17 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 -0.92 1.11 -0.26 -2.53 0.00 -1.92 -1.19 119.26 113.55 2qpu h ALA 68 Ca -0.30 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2qpu h ALA 68 Cb 1.03 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2qpu h ALA 68 CO 0.29 0.39 0.14 0.00 0.00 0.00 0.00 179.25 180.07 2qpu h ALA 69 N 1.35 0.33 -0.43 0.00 0.00 -1.97 0.85 119.26 119.39 2qpu h ALA 69 Ca 0.34 -0.08 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 2qpu h ALA 69 Cb -0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2qpu h ALA 69 CO -0.11 -0.12 -0.08 0.93 0.00 0.00 0.00 179.25 179.87 2qpu h GLU 70 N 0.30 0.75 -0.25 0.00 5.08 -1.87 -1.26 114.58 117.32 2qpu h GLU 70 Ca 0.09 -0.23 -0.11 0.00 -1.00 0.00 0.00 59.36 58.11 2qpu h GLU 70 Cb 0.09 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 2qpu h GLU 70 CO -0.01 0.81 -0.29 1.25 -1.00 0.00 0.00 179.01 179.77 2qpu h LEU 71 N 0.69 0.69 -1.32 1.33 5.85 -1.02 -1.99 115.31 119.53 2qpu h LEU 71 Ca 0.12 -0.49 -0.02 0.00 0.84 0.00 0.00 57.88 58.33 2qpu h LEU 71 Cb 0.54 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 2qpu h LEU 71 CO 0.03 1.04 0.19 0.11 -0.34 0.00 0.00 178.44 179.48 2qpu h LYS 72 N 0.36 0.66 -0.41 1.25 1.57 -0.65 -0.74 116.57 118.61 2qpu h LYS 72 Ca 0.04 -0.09 -0.15 0.00 -1.87 0.00 0.00 60.65 58.58 2qpu h LYS 72 Cb 0.86 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 2qpu h LYS 72 CO 0.07 0.54 -0.32 0.77 -0.57 0.00 0.00 179.45 179.94 2qpu h SER 73 N 0.65 0.96 -0.18 0.86 0.02 -1.08 -1.24 113.55 113.55 2qpu h SER 73 Ca 0.16 -0.41 -0.05 0.00 -0.84 0.00 0.00 61.79 60.65 2qpu h SER 73 Cb 0.12 -0.27 -0.00 0.00 0.14 0.00 0.00 62.40 62.39 2qpu h SER 73 CO -0.02 1.19 -0.09 0.25 -1.14 0.00 0.00 176.83 177.02 2qpu h LEU 74 N 0.77 0.39 -1.02 5.07 5.85 -0.87 -1.28 115.31 124.22 2qpu h LEU 74 Ca 0.08 -0.41 -0.03 0.00 0.84 0.00 0.00 57.88 58.36 2qpu h LEU 74 Cb 0.89 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 2qpu h LEU 74 CO 0.08 0.72 0.31 0.40 -0.34 0.00 0.00 178.44 179.61 2qpu h ILE 75 N 0.07 1.23 -0.58 4.05 2.04 -1.15 -0.41 117.51 122.76 2qpu h ILE 75 Ca 0.04 -0.68 -0.08 0.00 1.00 0.00 0.00 64.86 65.14 2qpu h ILE 75 Cb 0.57 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 2qpu h ILE 75 CO 0.03 0.28 0.05 1.23 0.00 0.00 0.00 178.15 179.74 2qpu h GLY 76 N 1.07 1.03 0.92 5.37 0.00 -1.10 0.39 103.07 110.75 2qpu h GLY 76 Ca 0.24 -0.69 -0.05 0.00 0.00 0.00 0.00 47.33 46.83 2qpu h GLY 76 CO -0.03 0.64 0.05 0.00 0.00 0.00 0.00 176.54 177.21 2qpu h ALA 77 N 1.15 0.50 -0.19 3.60 0.00 -0.59 -0.51 119.26 123.22 2qpu h ALA 77 Ca 0.17 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2qpu h ALA 77 Cb 0.46 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2qpu h ALA 77 CO 0.02 0.21 0.12 -0.07 0.00 0.00 0.00 179.25 179.53 2qpu h LEU 78 N 0.46 0.21 -1.62 0.00 3.38 -0.81 -2.21 115.31 114.72 2qpu h LEU 78 Ca 0.11 -0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.09 2qpu h LEU 78 Cb 0.38 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 2qpu h LEU 78 CO 0.01 0.15 0.27 0.45 0.09 0.00 0.00 178.44 179.41 2qpu h HIS 79 N 0.25 0.48 0.00 1.13 3.86 -0.72 -0.46 115.15 119.69 2qpu h HIS 79 Ca 0.07 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.29 2qpu h HIS 79 Cb -0.03 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.28 2qpu h HIS 79 CO -0.07 0.29 -0.01 0.78 0.86 0.00 0.00 177.93 179.79 2qpu h GLY 80 N 0.51 0.00 -1.92 2.45 0.00 -0.45 -0.98 103.07 102.68 2qpu h GLY 80 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.49 2qpu h GLY 80 CO -0.04 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.78 2qpu n LYS 81 N -3.13 3.14 -1.06 4.80 4.76 -0.33 -4.95 118.16 121.39 2qpu n LYS 81 Ca -0.02 -2.54 -0.02 0.00 -2.87 0.00 0.00 58.31 52.86 2qpu n LYS 81 Cb 0.16 -1.63 -0.01 0.00 -1.84 0.00 0.00 35.03 31.72 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 0.42 0.54 3.77 0.72 0.00 -0.37 -4.95 105.19 105.31 2qpu n GLY 82 Ca 0.19 -0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.93 5.39 0.56 1.61 1.01 -0.36 -4.93 120.40 121.76 2qpu s VAL 83 Ca 0.00 0.31 -0.06 0.00 0.00 0.00 0.00 61.98 62.22 2qpu s VAL 83 Cb 0.00 -3.50 -0.01 0.00 0.00 0.00 0.00 36.38 32.87 2qpu s VAL 83 CO 0.00 0.48 0.88 -1.10 0.00 0.00 0.00 175.10 175.35 2qpu s GLN 84 N -0.01 3.16 -0.12 2.72 -0.21 0.05 -3.02 119.66 122.23 2qpu s GLN 84 Ca 0.12 0.12 0.02 0.00 0.02 0.00 0.00 55.36 55.64 2qpu s GLN 84 Cb -0.12 -2.29 -0.00 0.00 1.00 0.00 0.00 33.01 31.60 2qpu s GLN 84 CO 0.01 -0.54 -0.19 0.00 -2.12 0.00 0.00 175.29 172.46 2qpu s ALA 85 N -2.93 2.37 -0.17 6.09 0.00 -1.26 -0.64 121.76 125.21 2qpu s ALA 85 Ca 0.52 -0.98 -0.05 0.00 0.00 0.00 0.00 51.96 51.45 2qpu s ALA 85 Cb -0.10 -1.02 -0.03 0.00 0.00 0.00 0.00 23.12 21.96 2qpu s ALA 85 CO 0.46 0.18 -0.00 0.42 0.00 0.00 0.00 175.76 176.82 2qpu s ILE 86 N 0.49 4.15 -0.08 0.00 1.01 0.69 -1.00 121.20 126.47 2qpu s ILE 86 Ca -0.13 -0.26 -0.12 0.00 0.00 0.00 0.00 60.65 60.15 2qpu s ILE 86 Cb -0.17 -2.85 -0.05 0.00 0.01 0.00 0.00 42.46 39.41 2qpu s ILE 86 CO 0.05 0.47 0.28 0.00 0.00 0.00 0.00 174.94 175.74 2qpu s ALA 87 N 0.53 3.75 -0.47 9.38 0.00 -0.34 -0.53 121.76 134.08 2qpu s ALA 87 Ca -0.01 -0.43 -0.29 0.00 0.00 0.00 0.00 51.96 51.23 2qpu s ALA 87 Cb -0.14 -2.22 0.03 0.00 0.00 0.00 0.00 23.12 20.79 2qpu s ALA 87 CO 0.02 0.46 1.13 0.34 0.00 0.00 0.00 175.76 177.71 2qpu s ASP 88 N -0.75 6.64 -0.34 0.00 -1.08 -0.85 -1.15 116.67 119.15 2qpu s ASP 88 Ca 0.19 0.48 -0.15 0.00 -0.52 0.00 0.00 52.55 52.56 2qpu s ASP 88 Cb -0.14 -2.55 -0.01 0.00 -1.46 0.00 0.00 42.92 38.76 2qpu s ASP 88 CO 0.08 -1.23 0.33 -0.63 0.52 0.00 0.00 175.17 174.24 2qpu s ILE 89 N 4.40 5.20 -0.43 4.11 -1.09 0.65 -4.08 121.20 129.96 2qpu s ILE 89 Ca 0.48 -0.02 -0.05 0.00 -2.23 0.00 0.00 60.65 58.83 2qpu s ILE 89 Cb -0.07 -3.79 0.11 0.00 -1.58 0.00 0.00 42.46 37.12 2qpu s ILE 89 CO 0.31 -0.07 0.24 -0.69 -1.23 0.00 0.00 174.94 173.50 2qpu s VAL 90 N 1.94 3.56 0.00 2.92 1.01 -1.26 -0.87 120.40 127.70 2qpu s VAL 90 Ca 0.10 -1.97 0.00 0.00 0.00 0.00 0.00 61.98 60.12 2qpu s VAL 90 Cb -0.17 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.81 2qpu s VAL 90 CO 0.11 -0.71 0.47 2.30 0.00 0.00 0.00 175.10 177.27 2qpu n ILE 91 N 4.69 0.21 -0.21 2.22 -5.35 -1.26 -4.77 119.36 114.89 2qpu n ILE 91 Ca -0.04 -0.39 -0.08 0.00 -0.27 0.00 0.00 62.75 61.97 2qpu n ILE 91 Cb 0.41 1.17 0.02 0.00 -1.74 0.00 0.00 39.64 39.51 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 0.90 -4.05 7.28 -1.24 -1.88 -3.43 115.58 113.17 2qpu h ASN 92 Ca 0.00 -0.25 -0.39 0.00 0.71 0.00 0.00 56.30 56.37 2qpu h ASN 92 Cb 0.40 -0.24 -0.14 0.00 0.73 0.00 0.00 38.32 39.06 2qpu h ASN 92 CO 0.00 0.92 -0.62 -1.38 -1.29 0.00 0.00 177.43 175.07 2qpu s HIS 93 N -5.24 1.68 -0.20 0.67 -3.43 -1.26 -1.22 115.29 106.28 2qpu s HIS 93 Ca -0.12 -1.09 -0.27 0.00 -0.80 0.00 0.00 55.06 52.77 2qpu s HIS 93 Cb 0.13 -1.02 0.09 0.00 -1.43 0.00 0.00 32.58 30.34 2qpu s HIS 93 CO 0.82 -0.20 0.81 0.50 -2.00 0.00 0.00 174.74 174.67 2qpu s ARG 94 N -3.98 0.79 -0.02 -0.38 3.52 -0.67 -4.74 118.95 113.49 2qpu s ARG 94 Ca 0.37 0.62 -0.17 0.00 -0.13 0.00 0.00 55.73 56.42 2qpu s ARG 94 Cb 0.08 0.38 -0.06 0.00 -1.56 0.00 0.00 34.95 33.80 2qpu s ARG 94 CO 0.14 -0.16 0.46 0.00 -0.81 0.00 0.00 175.30 174.92 2qpu s ALA 96 N -0.65 3.54 0.24 0.00 0.00 -1.26 -4.43 121.76 119.20 2qpu s ALA 96 Ca 0.25 -0.44 -0.01 0.00 0.00 0.00 0.00 51.96 51.77 2qpu s ALA 96 Cb -0.17 -2.61 0.26 0.00 0.00 0.00 0.00 23.12 20.60 2qpu s ALA 96 CO 0.14 -0.19 1.63 -0.44 0.00 0.00 0.00 175.76 176.90 2qpu h ASP 97 N 7.14 0.58 -1.98 0.00 3.45 -1.87 -3.44 116.42 120.31 2qpu h ASP 97 Ca -0.38 -0.24 -0.58 0.00 0.43 0.00 0.00 57.03 56.26 2qpu h ASP 97 Cb 1.16 -0.16 -0.11 0.00 -0.56 0.00 0.00 39.33 39.66 2qpu h ASP 97 CO 0.73 0.89 -0.63 -0.31 -1.57 0.00 0.00 179.24 178.35 2qpu s TYR 98 N -4.33 2.54 0.06 4.55 2.02 -0.34 -5.02 117.35 116.83 2qpu s TYR 98 Ca -0.07 -0.41 -0.05 0.00 -0.37 0.00 0.00 57.07 56.17 2qpu s TYR 98 Cb 0.13 -1.41 -0.05 0.00 -0.40 0.00 0.00 41.96 40.23 2qpu s TYR 98 CO 0.82 0.52 0.30 0.15 -1.57 0.00 0.00 175.55 175.76 2qpu s LYS 99 N -3.69 3.58 0.32 -0.62 1.02 -1.26 -1.93 119.74 117.15 2qpu s LYS 99 Ca 0.34 -0.13 0.03 0.00 0.02 0.00 0.00 55.97 56.23 2qpu s LYS 99 Cb -0.01 -3.00 0.06 0.00 -0.52 0.00 0.00 37.83 34.36 2qpu s LYS 99 CO 0.19 0.58 0.44 -0.40 -0.92 0.00 0.00 175.35 175.24 2qpu n ASP 100 N 0.66 0.97 0.26 2.83 5.75 -0.55 -4.84 116.55 121.63 2qpu n ASP 100 Ca -0.07 -1.73 0.18 0.00 -0.01 0.00 0.00 54.79 53.15 2qpu n ASP 100 Cb 0.52 -0.25 0.94 0.00 -1.03 0.00 0.00 41.12 41.30 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 -0.05 0.00 0.54 -1.12 4.64 -2.00 0.11 113.55 115.67 2qpu h SER 101 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 2qpu h SER 101 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 2qpu h SER 101 CO 0.19 0.00 -0.26 0.54 -0.87 0.00 0.00 176.83 176.43 2qpu n ARG 102 N -2.72 0.28 -0.88 4.77 1.74 -1.26 -4.91 116.66 113.69 2qpu n ARG 102 Ca -0.02 -0.13 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 2qpu n ARG 102 Cb 0.06 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 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 1.42 0.52 3.87 -0.13 0.00 0.39 -5.04 105.19 106.22 2qpu n GLY 103 Ca 0.09 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 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 5.43 -1.13 -0.61 1.01 -1.26 -4.81 121.20 117.83 2qpu s ILE 104 Ca 0.00 0.18 -0.21 0.00 0.00 0.00 0.00 60.65 60.62 2qpu s ILE 104 Cb 0.00 -3.36 0.03 0.00 0.01 0.00 0.00 42.46 39.14 2qpu s ILE 104 CO 0.00 0.62 1.66 -0.31 0.00 0.00 0.00 174.94 176.91 2qpu s TYR 105 N -1.02 2.50 -0.00 3.97 2.02 -1.26 -1.49 117.35 122.07 2qpu s TYR 105 Ca 0.15 -0.88 0.00 0.00 -0.37 0.00 0.00 57.07 55.97 2qpu s TYR 105 Cb -0.12 -4.59 0.00 0.00 -0.40 0.00 0.00 41.96 36.85 2qpu s TYR 105 CO 0.04 -1.80 0.61 0.00 -1.57 0.00 0.00 175.55 172.83 2qpu s ILE 107 N -0.21 4.58 0.42 0.00 -1.09 -0.82 -2.75 121.20 121.34 2qpu s ILE 107 Ca 0.00 -0.65 -0.04 0.00 -2.23 0.00 0.00 60.65 57.72 2qpu s ILE 107 Cb 0.00 -3.45 -0.04 0.00 -1.58 0.00 0.00 42.46 37.39 2qpu s ILE 107 CO 0.00 -0.09 0.70 -0.36 -1.23 0.00 0.00 174.94 173.96 2qpu s PHE 108 N 1.58 3.53 -0.11 3.97 0.40 -0.33 -1.19 117.98 125.83 2qpu s PHE 108 Ca 0.03 0.71 -0.00 0.00 -0.60 0.00 0.00 56.93 57.07 2qpu s PHE 108 Cb -0.18 -2.20 0.02 0.00 0.51 0.00 0.00 43.02 41.17 2qpu s PHE 108 CO 0.06 -0.12 -0.08 -2.00 0.70 0.00 0.00 175.22 173.78 2qpu s GLU 109 N -4.44 1.58 0.29 0.44 2.56 -1.26 -3.90 118.70 113.98 2qpu s GLU 109 Ca 0.46 -0.28 0.12 0.00 0.00 0.00 0.00 54.97 55.27 2qpu s GLU 109 Cb -0.10 -1.60 0.38 0.00 2.00 0.00 0.00 34.13 34.82 2qpu s GLU 109 CO 0.40 -0.24 1.61 0.78 -0.56 0.00 0.00 175.26 177.25 2qpu h GLY 110 N 8.06 0.00 0.00 -1.50 0.00 -1.64 -3.29 103.07 104.70 2qpu h GLY 110 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.03 2qpu h GLY 110 CO 0.42 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.57 2qpu n GLY 111 N 0.35 0.87 3.72 4.60 0.00 -1.26 -0.69 105.19 112.78 2qpu n GLY 111 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 1.75 0.03 2.61 -4.23 -1.26 -4.61 115.64 107.93 2qpu s THR 112 Ca 0.00 -1.89 -0.24 0.00 -1.18 0.00 0.00 61.69 58.38 2qpu s THR 112 Cb 0.00 -2.64 -0.17 0.00 1.34 0.00 0.00 72.50 71.02 2qpu s THR 112 CO 0.00 0.00 1.49 0.28 -0.54 0.00 0.00 174.62 175.85 2qpu h SER 113 N 1.46 0.02 -0.85 3.99 0.02 -1.99 -3.45 113.55 112.75 2qpu h SER 113 Ca -0.43 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.26 2qpu h SER 113 Cb 1.27 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 2qpu h SER 113 CO 0.74 0.27 0.00 -0.90 -1.14 0.00 0.00 176.83 175.80 2qpu n ASP 114 N -4.95 -0.51 -0.86 3.07 3.85 -1.26 -4.95 116.55 110.94 2qpu n ASP 114 Ca -0.08 -0.30 0.07 0.00 -0.71 0.00 0.00 54.79 53.78 2qpu n ASP 114 Cb 0.15 0.00 0.20 0.00 -1.35 0.00 0.00 41.12 40.12 2qpu n ASP 114 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2qpu n GLY 115 N 2.69 1.17 3.67 6.12 0.00 -1.26 -4.88 105.19 112.70 2qpu n GLY 115 Ca 0.00 -0.49 -0.49 0.00 0.00 0.00 0.00 46.02 45.04 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 0.77 1.94 -1.02 1.61 1.74 -1.26 -0.55 116.66 119.88 2qpu n ARG 116 Ca 0.15 0.71 -0.01 0.00 -0.77 0.00 0.00 57.85 57.93 2qpu n ARG 116 Cb 0.41 -2.49 -0.00 0.00 -1.02 0.00 0.00 32.46 29.36 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 5.03 0.70 -3.64 0.55 4.77 -1.26 -3.49 117.00 119.65 2qpu n LEU 117 Ca 0.21 0.02 -0.41 0.00 -0.03 0.00 0.00 56.01 55.79 2qpu n LEU 117 Cb 0.26 -2.06 -0.01 0.00 -2.33 0.00 0.00 43.42 39.29 2qpu n LEU 117 CO 0.70 -0.78 2.62 0.47 -1.33 0.00 0.00 177.39 179.07 2qpu n ASP 118 N -0.77 5.74 -4.21 -1.43 9.92 0.29 -3.75 116.55 122.35 2qpu n ASP 118 Ca -0.01 -2.89 -0.30 0.00 -0.53 0.00 0.00 54.79 51.07 2qpu n ASP 118 Cb 0.39 -1.55 0.18 0.00 -0.64 0.00 0.00 41.12 39.50 2qpu n ASP 118 CO 0.00 0.00 0.00 0.26 0.13 0.00 0.00 177.20 177.59 2qpu s TRP 119 N 1.71 1.59 0.12 1.24 0.51 -1.25 -4.77 118.94 118.08 2qpu s TRP 119 Ca 0.51 0.46 0.02 0.00 -2.12 0.00 0.00 56.10 54.97 2qpu s TRP 119 Cb 0.14 -3.82 -0.01 0.00 -0.81 0.00 0.00 33.47 28.98 2qpu s TRP 119 CO -0.06 -2.81 0.06 0.41 -0.51 0.00 0.00 176.95 174.04 2qpu n GLY 120 N -2.90 3.78 0.19 0.98 0.00 -1.26 -1.19 105.19 104.80 2qpu n GLY 120 Ca 0.13 -1.89 0.13 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.83 -1.52 132.00 130.39 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 0.38 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.51 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 -0.38 1.56 -0.00 -1.94 -2.39 115.15 112.00 2qpu h HIS 122 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2qpu h HIS 122 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.41 2qpu h HIS 122 CO 0.00 0.00 0.00 -1.33 -0.00 0.00 0.00 177.93 176.60 2qpu n MET 123 N -2.94 2.31 -3.85 5.26 2.81 -0.57 -4.18 117.12 115.95 2qpu n MET 123 Ca 0.00 -1.98 -0.35 0.00 -1.81 0.00 0.00 57.70 53.56 2qpu n MET 123 Cb 0.26 -1.48 -0.10 0.00 -0.71 0.00 0.00 33.22 31.20 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 -1.50 4.95 -0.09 2.02 1.01 -0.90 -0.64 121.20 126.04 2qpu s ILE 124 Ca 0.37 0.03 -0.41 0.00 0.00 0.00 0.00 60.65 60.65 2qpu s ILE 124 Cb 0.21 -3.27 -0.19 0.00 0.01 0.00 0.00 42.46 39.23 2qpu s ILE 124 CO 0.29 0.41 1.27 0.00 0.00 0.00 0.00 174.94 176.92 2qpu h ARG 126 N 4.01 0.00 -0.04 0.00 0.11 -1.40 -0.73 114.38 116.34 2qpu h ARG 126 Ca -0.49 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.59 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 0.76 0.00 0.00 -0.40 0.10 0.00 0.00 179.97 180.43 2qpu n ASP 127 N -4.01 0.44 -3.97 0.08 5.75 -1.26 -3.83 116.55 109.74 2qpu n ASP 127 Ca 0.00 -1.45 -0.43 0.00 -0.01 0.00 0.00 54.79 52.91 2qpu n ASP 127 Cb 0.24 -0.02 0.01 0.00 -1.03 0.00 0.00 41.12 40.31 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 -0.52 6.46 0.25 -1.12 -0.08 -0.28 -4.86 116.55 116.39 2qpu n ASP 128 Ca 0.16 -3.42 0.17 0.00 -1.51 0.00 0.00 54.79 50.18 2qpu n ASP 128 Cb 0.14 -1.27 0.79 0.00 2.34 0.00 0.00 41.12 43.12 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 3.35 0.15 -0.20 5.18 1.35 -1.81 -1.78 112.91 119.16 2qpu h THR 129 Ca 0.23 0.00 -0.08 0.00 -0.55 0.00 0.00 66.41 66.02 2qpu h THR 129 Cb 0.59 0.66 -0.01 0.00 -1.73 0.00 0.00 68.15 67.66 2qpu h THR 129 CO 1.34 0.00 -0.21 0.50 -0.25 0.00 0.00 175.52 176.90 2qpu h LYS 130 N 0.00 0.35 0.00 4.72 3.64 -1.93 -3.36 116.57 119.99 2qpu h LYS 130 Ca 0.07 -0.11 -0.07 0.00 -1.27 0.00 0.00 60.65 59.27 2qpu h LYS 130 Cb 0.82 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.59 2qpu h LYS 130 CO -0.00 0.55 -1.28 0.66 -2.27 0.00 0.00 179.45 177.11 2qpu n TYR 131 N -4.17 0.00 -0.88 1.91 4.01 -0.91 -4.96 117.16 112.16 2qpu n TYR 131 Ca -0.00 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.44 2qpu n TYR 131 Cb 0.35 -0.20 0.19 0.00 -0.31 0.00 0.00 39.34 39.37 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 -3.56 2.43 0.00 7.72 1.04 -0.72 -4.81 113.70 115.81 2qpu s SER 132 Ca -0.02 1.61 0.08 0.00 0.48 0.00 0.00 55.95 58.10 2qpu s SER 132 Cb 0.01 -2.27 0.23 0.00 0.10 0.00 0.00 66.02 64.09 2qpu s SER 132 CO 0.16 -3.31 1.18 -0.90 0.98 0.00 0.00 173.24 171.35 2qpu n ASP 133 N -4.33 2.68 0.00 7.02 5.75 -1.24 -4.93 116.55 121.49 2qpu n ASP 133 Ca 0.06 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.86 2qpu n ASP 133 Cb 0.54 -0.17 0.00 0.00 -1.03 0.00 0.00 41.12 40.46 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 0.61 0.04 6.12 0.00 -1.26 -4.87 105.19 106.10 2qpu n GLY 134 Ca 0.09 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.22 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 -2.23 0.21 -1.89 2.61 -2.24 -1.26 -4.92 114.28 104.56 2qpu n THR 135 Ca 0.00 -0.23 -0.30 0.00 -2.27 0.00 0.00 64.05 61.25 2qpu n THR 135 Cb 0.04 0.13 0.15 0.00 -2.10 0.00 0.00 70.33 68.56 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 -3.17 2.33 0.83 6.98 0.00 -1.26 -5.01 121.76 122.46 2qpu s ALA 136 Ca 0.05 -1.00 -0.12 0.00 0.00 0.00 0.00 51.96 50.89 2qpu s ALA 136 Cb 0.14 -2.85 0.09 0.00 0.00 0.00 0.00 23.12 20.51 2qpu s ALA 136 CO 0.77 -2.21 1.19 -0.80 0.00 0.00 0.00 175.76 174.71 2qpu s ASN 137 N -4.75 4.31 0.48 0.00 0.01 -1.26 -4.17 114.94 109.57 2qpu s ASN 137 Ca 0.70 0.76 -0.18 0.00 -0.71 0.00 0.00 52.86 53.43 2qpu s ASN 137 Cb -0.07 -1.23 -0.09 0.00 0.41 0.00 0.00 41.25 40.27 2qpu s ASN 137 CO 0.52 -2.03 0.97 -0.76 -1.51 0.00 0.00 177.10 174.29 2qpu s LEU 138 N -5.65 3.75 0.27 0.60 1.43 -1.26 -1.41 118.68 116.42 2qpu s LEU 138 Ca 0.63 1.62 -0.30 0.00 -1.03 0.00 0.00 54.13 55.05 2qpu s LEU 138 Cb -0.11 -4.52 -0.13 0.00 0.03 0.00 0.00 46.19 41.46 2qpu s LEU 138 CO 0.50 -0.50 1.38 -0.67 0.23 0.00 0.00 176.35 177.29 2qpu n ASP 139 N -1.20 2.80 -0.10 2.29 -0.08 -1.26 -4.86 116.55 114.15 2qpu n ASP 139 Ca 0.07 1.16 0.14 0.00 -1.51 0.00 0.00 54.79 54.64 2qpu n ASP 139 Cb 0.54 -1.45 0.56 0.00 2.34 0.00 0.00 41.12 43.11 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 1.52 0.00 -2.26 5.18 -2.24 -1.26 -4.93 114.28 110.29 2qpu n THR 140 Ca 0.10 -0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 2qpu n THR 140 Cb 0.33 -0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 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 1.33 4.24 3.75 3.38 0.00 -1.13 -3.14 105.19 113.61 2qpu n GLY 141 Ca 0.12 -1.03 -0.31 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.53 2.02 0.13 4.61 0.00 -0.02 -4.78 121.76 122.20 2qpu s ALA 142 Ca 0.00 0.18 0.02 0.00 0.00 0.00 0.00 51.96 52.16 2qpu s ALA 142 Cb 0.00 -3.25 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 2qpu s ALA 142 CO 0.00 -1.97 0.25 0.34 0.00 0.00 0.00 175.76 174.38 2qpu s ASP 143 N -3.38 6.23 -0.33 0.00 -1.08 -1.26 -4.40 116.67 112.45 2qpu s ASP 143 Ca 0.62 0.15 -0.03 0.00 -0.52 0.00 0.00 52.55 52.77 2qpu s ASP 143 Cb -0.18 -1.86 0.05 0.00 -1.46 0.00 0.00 42.92 39.48 2qpu s ASP 143 CO 0.56 0.08 0.06 0.12 0.52 0.00 0.00 175.17 176.51 2qpu s PHE 144 N -1.69 3.30 0.27 -5.34 5.36 -1.26 -5.02 117.98 113.59 2qpu s PHE 144 Ca 0.34 -1.79 -0.00 0.00 -0.96 0.00 0.00 56.93 54.52 2qpu s PHE 144 Cb -0.11 -2.30 0.53 0.00 -0.34 0.00 0.00 43.02 40.80 2qpu s PHE 144 CO 0.28 -0.80 1.79 0.00 -1.46 0.00 0.00 175.22 175.03 2qpu h ALA 145 N 8.08 1.36 0.00 11.12 0.00 -2.00 -3.06 119.26 134.75 2qpu h ALA 145 Ca -0.21 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2qpu h ALA 145 Cb 1.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2qpu h ALA 145 CO 0.58 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.87 2qpu n ALA 146 N -2.38 1.88 -3.13 0.00 0.00 -1.26 -4.88 120.51 110.73 2qpu n ALA 146 Ca 0.17 -0.07 -0.09 0.00 0.00 0.00 0.00 53.44 53.45 2qpu n ALA 146 Cb 0.39 -1.30 -0.05 0.00 0.00 0.00 0.00 19.45 18.49 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 -2.93 -0.63 0.24 0.00 0.00 -1.16 -5.07 121.76 112.22 2qpu s ALA 147 Ca 0.11 -0.45 -0.31 0.00 0.00 0.00 0.00 51.96 51.31 2qpu s ALA 147 Cb 0.12 0.86 -0.11 0.00 0.00 0.00 0.00 23.12 23.99 2qpu s ALA 147 CO 0.33 -0.76 1.63 -2.14 0.00 0.00 0.00 175.76 174.82 2qpu s PRO 148 N -3.91 4.14 -0.02 0.00 0.02 -1.23 -4.67 135.00 129.34 2qpu s PRO 148 Ca 0.12 2.54 -0.20 0.00 0.02 0.00 0.00 61.00 63.48 2qpu s PRO 148 Cb 0.00 -3.07 -0.05 0.00 0.02 0.00 0.00 34.50 31.41 2qpu s PRO 148 CO -0.01 -0.66 0.58 -0.51 -0.33 0.00 0.00 177.00 176.06 2qpu s ASP 149 N 0.83 6.94 0.19 2.53 1.01 -1.26 -1.67 116.67 125.24 2qpu s ASP 149 Ca 0.68 1.12 -0.26 0.00 0.71 0.00 0.00 52.55 54.80 2qpu s ASP 149 Cb -0.48 -2.35 -0.08 0.00 1.01 0.00 0.00 42.92 41.02 2qpu s ASP 149 CO 0.39 0.09 0.82 -0.63 0.21 0.00 0.00 175.17 176.05 2qpu s ILE 150 N -0.11 4.30 -0.81 0.77 -1.09 -0.36 -1.52 121.20 122.37 2qpu s ILE 150 Ca 0.30 1.78 -0.22 0.00 -2.23 0.00 0.00 60.65 60.28 2qpu s ILE 150 Cb -0.18 -4.16 0.08 0.00 -1.58 0.00 0.00 42.46 36.62 2qpu s ILE 150 CO 0.16 0.49 1.13 -0.62 -1.23 0.00 0.00 174.94 174.88 2qpu s ASP 151 N -1.19 6.37 0.00 3.58 2.15 0.18 -4.62 116.67 123.14 2qpu s ASP 151 Ca 0.38 -1.34 0.17 0.00 0.43 0.00 0.00 52.55 52.18 2qpu s ASP 151 Cb -0.23 -2.45 0.83 0.00 -0.30 0.00 0.00 42.92 40.76 2qpu s ASP 151 CO 0.27 -1.38 1.52 1.41 -0.17 0.00 0.00 175.17 176.83 2qpu n HIS 152 N 7.72 0.00 0.85 -5.34 8.25 -1.26 -1.94 115.22 123.50 2qpu n HIS 152 Ca 0.12 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.71 2qpu n HIS 152 Cb 0.48 -0.35 0.44 0.00 1.12 0.00 0.00 29.99 31.68 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 -1.35 0.39 -4.70 2.41 4.77 -1.26 -4.62 117.00 112.63 2qpu n LEU 153 Ca 0.07 0.40 -0.42 0.00 -0.03 0.00 0.00 56.01 56.03 2qpu n LEU 153 Cb 0.16 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 40.85 2qpu n LEU 153 CO 0.14 -0.03 1.03 0.21 -1.33 0.00 0.00 177.39 177.41 2qpu s ASN 154 N -3.56 6.91 0.19 -1.43 3.84 -0.82 -4.94 114.94 115.14 2qpu s ASN 154 Ca 0.12 2.14 -0.12 0.00 0.21 0.00 0.00 52.86 55.21 2qpu s ASN 154 Cb 0.16 -2.57 0.13 0.00 -0.55 0.00 0.00 41.25 38.42 2qpu s ASN 154 CO 0.60 -0.63 1.84 -0.78 -2.79 0.00 0.00 177.10 175.35 2qpu h ASP 155 N 7.20 0.65 -0.62 -4.21 3.58 -1.89 -2.05 116.42 119.08 2qpu h ASP 155 Ca -0.40 -0.01 -0.08 0.00 0.42 0.00 0.00 57.03 56.97 2qpu h ASP 155 Cb 1.20 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 42.07 2qpu h ASP 155 CO 0.87 0.46 0.09 -0.09 -2.88 0.00 0.00 179.24 177.69 2qpu h ARG 156 N 0.78 1.05 0.00 0.28 2.43 -1.96 -0.90 114.38 116.06 2qpu h ARG 156 Ca 0.24 -0.28 0.01 0.00 -0.81 0.00 0.00 59.98 59.14 2qpu h ARG 156 Cb -0.02 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.40 2qpu h ARG 156 CO -0.08 0.97 -0.04 0.28 -1.51 0.00 0.00 179.97 179.59 2qpu h VAL 157 N 0.98 0.91 -0.21 0.20 2.07 -1.79 0.71 116.25 119.11 2qpu h VAL 157 Ca 0.19 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.72 2qpu h VAL 157 Cb 0.44 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.10 2qpu h VAL 157 CO 0.01 0.00 0.12 1.56 0.02 0.00 0.00 177.57 179.28 2qpu h GLN 158 N -0.06 0.24 0.09 1.57 4.20 -1.20 -0.52 115.11 119.43 2qpu h GLN 158 Ca 0.01 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.72 2qpu h GLN 158 Cb 0.08 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.79 2qpu h GLN 158 CO -0.04 0.16 -0.16 -0.09 -0.67 0.00 0.00 178.83 178.04 2qpu h ARG 159 N 0.25 -0.29 -0.02 1.46 2.43 -0.95 -2.22 114.38 115.04 2qpu h ARG 159 Ca 0.08 0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.14 2qpu h ARG 159 Cb 0.00 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 2qpu h ARG 159 CO -0.05 -0.20 -0.62 0.93 -1.51 0.00 0.00 179.97 178.52 2qpu h GLU 160 N -0.30 0.06 -0.15 0.20 5.08 -0.75 -2.35 114.58 116.36 2qpu h GLU 160 Ca 0.02 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.17 2qpu h GLU 160 Cb 0.32 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 2qpu h GLU 160 CO -0.09 0.66 -0.62 -0.07 -1.00 0.00 0.00 179.01 177.90 2qpu h LEU 161 N 0.04 0.61 -0.65 1.33 3.38 -1.05 -1.32 115.31 117.66 2qpu h LEU 161 Ca -0.01 -0.35 -0.10 0.00 0.09 0.00 0.00 57.88 57.51 2qpu h LEU 161 Cb 1.11 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.66 2qpu h LEU 161 CO 0.09 1.08 -0.02 0.11 0.09 0.00 0.00 178.44 179.79 2qpu h LYS 162 N 0.40 1.04 -0.53 1.13 1.57 -1.34 0.13 116.57 118.96 2qpu h LYS 162 Ca -0.01 -0.33 -0.01 0.00 -1.87 0.00 0.00 60.65 58.43 2qpu h LYS 162 Cb 1.18 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.37 2qpu h LYS 162 CO 0.11 1.02 0.29 1.49 -0.57 0.00 0.00 179.45 181.79 2qpu h GLU 163 N 0.95 0.74 -0.54 3.15 4.81 -1.27 0.27 114.58 122.69 2qpu h GLU 163 Ca 0.17 -0.09 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 2qpu h GLU 163 Cb 0.57 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 2qpu h GLU 163 CO 0.03 0.58 0.13 2.35 -0.73 0.00 0.00 179.01 181.37 2qpu h TRP 164 N 0.71 0.92 -0.74 0.92 7.01 -0.92 -1.50 115.95 122.34 2qpu h TRP 164 Ca 0.19 -0.11 -0.04 0.00 2.11 0.00 0.00 58.89 61.03 2qpu h TRP 164 Cb 0.06 -0.26 -0.03 0.00 -2.10 0.00 0.00 29.16 26.83 2qpu h TRP 164 CO -0.01 0.80 0.30 -0.07 -2.79 0.00 0.00 178.44 176.67 2qpu h LEU 165 N 0.77 1.01 -1.27 0.65 3.38 -0.36 -1.07 115.31 118.42 2qpu h LEU 165 Ca 0.17 -0.17 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2qpu h LEU 165 Cb 0.35 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2qpu h LEU 165 CO 0.00 0.90 -0.25 -0.07 0.09 0.00 0.00 178.44 179.12 2qpu h LEU 166 N 1.06 0.18 -0.59 1.67 3.38 -0.71 -2.32 115.31 117.98 2qpu h LEU 166 Ca 0.25 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 58.04 2qpu h LEU 166 Cb 0.20 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2qpu h LEU 166 CO -0.02 0.44 -0.25 -0.25 0.09 0.00 0.00 178.44 178.45 2qpu h TRP 167 N 0.17 0.98 -0.80 1.13 7.01 -0.62 -0.84 115.95 122.97 2qpu h TRP 167 Ca 0.03 -0.24 0.05 0.00 2.11 0.00 0.00 58.89 60.84 2qpu h TRP 167 Cb 0.53 -0.23 -0.05 0.00 -2.10 0.00 0.00 29.16 27.32 2qpu h TRP 167 CO 0.01 1.01 0.53 -0.07 -2.79 0.00 0.00 178.44 177.12 2qpu h LEU 168 N 0.73 0.82 0.02 0.65 3.38 -0.65 0.23 115.31 120.49 2qpu h LEU 168 Ca 0.09 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2qpu h LEU 168 Cb 0.79 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2qpu h LEU 168 CO 0.07 0.55 -0.01 0.11 0.09 0.00 0.00 178.44 179.24 2qpu h LYS 169 N 0.94 -0.03 -0.26 1.13 1.57 -1.27 -2.29 116.57 116.36 2qpu h LYS 169 Ca 0.33 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.94 2qpu h LYS 169 Cb 0.13 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.44 2qpu h LYS 169 CO -0.11 0.64 -0.53 0.66 -0.57 0.00 0.00 179.45 179.54 2qpu h SER 170 N -0.76 0.86 0.36 0.86 4.64 -0.99 -1.47 113.55 117.04 2qpu h SER 170 Ca -0.00 -0.45 -0.31 0.00 -0.47 0.00 0.00 61.79 60.55 2qpu h SER 170 Cb 0.69 -0.24 -0.05 0.00 -0.31 0.00 0.00 62.40 62.48 2qpu h SER 170 CO 0.01 1.22 -1.88 -0.67 -0.87 0.00 0.00 176.83 174.64 2qpu n ASP 171 N -4.00 0.78 -0.07 4.97 -0.08 0.79 -4.55 116.55 114.40 2qpu n ASP 171 Ca -0.04 0.31 -0.07 0.00 -1.51 0.00 0.00 54.79 53.48 2qpu n ASP 171 Cb 0.61 0.11 -0.12 0.00 2.34 0.00 0.00 41.12 44.06 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 -3.01 0.00 0.00 -2.67 4.77 -0.92 -4.99 117.00 110.18 2qpu n LEU 172 Ca -0.21 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 2qpu n LEU 172 Cb 1.07 0.36 0.00 0.00 -2.33 0.00 0.00 43.42 42.52 2qpu n LEU 172 CO 0.44 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 2qpu n GLY 173 N 2.04 0.86 3.76 -0.72 0.00 -0.55 -4.60 105.19 105.98 2qpu n GLY 173 Ca -0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 2qpu n GLY 173 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qpu n PHE 174 N -1.53 2.66 -0.08 1.61 3.72 -1.10 -4.78 117.46 117.96 2qpu n PHE 174 Ca 0.00 0.44 -0.10 0.00 -0.05 0.00 0.00 57.45 57.74 2qpu n PHE 174 Cb 0.00 -2.45 -0.09 0.00 -0.94 0.00 0.00 39.48 36.00 2qpu n PHE 174 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2qpu n ASP 175 N -0.28 2.19 -3.67 4.37 8.00 -0.17 -4.28 116.55 122.71 2qpu n ASP 175 Ca 0.06 -0.05 -0.16 0.00 0.71 0.00 0.00 54.79 55.35 2qpu n ASP 175 Cb 0.42 0.22 -0.08 0.00 -0.02 0.00 0.00 41.12 41.65 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 -2.34 1.46 0.17 2.24 0.00 -0.98 -1.94 121.76 120.36 2qpu s ALA 176 Ca -0.16 -1.86 0.09 0.00 0.00 0.00 0.00 51.96 50.03 2qpu s ALA 176 Cb 0.05 1.41 -0.04 0.00 0.00 0.00 0.00 23.12 24.54 2qpu s ALA 176 CO 0.47 -0.65 -0.19 -1.58 0.00 0.00 0.00 175.76 173.80 2qpu s TRP 177 N -3.68 1.92 -0.23 0.00 0.23 -0.75 -1.20 118.94 115.23 2qpu s TRP 177 Ca 0.39 -0.44 0.01 0.00 -2.03 0.00 0.00 56.10 54.02 2qpu s TRP 177 Cb 0.04 -0.95 0.06 0.00 0.03 0.00 0.00 33.47 32.64 2qpu s TRP 177 CO 0.21 0.36 -0.06 0.50 0.96 0.00 0.00 176.95 178.92 2qpu s ARG 178 N -2.76 1.71 -0.56 4.98 3.00 -0.30 -1.42 118.95 123.61 2qpu s ARG 178 Ca 0.17 -0.95 -0.26 0.00 -1.00 0.00 0.00 55.73 53.69 2qpu s ARG 178 Cb -0.06 -2.54 0.04 0.00 0.00 0.00 0.00 34.95 32.38 2qpu s ARG 178 CO 0.07 -0.56 1.03 -0.51 0.00 0.00 0.00 175.30 175.33 2qpu s LEU 179 N 1.40 3.88 0.31 -0.88 1.43 -0.18 -0.25 118.68 124.38 2qpu s LEU 179 Ca -0.05 -0.18 -0.29 0.00 -1.03 0.00 0.00 54.13 52.58 2qpu s LEU 179 Cb -0.18 -2.96 -0.10 0.00 0.03 0.00 0.00 46.19 42.98 2qpu s LEU 179 CO -0.07 -1.31 1.27 -0.62 0.23 0.00 0.00 176.35 175.86 2qpu s ASP 180 N 2.86 6.88 -1.21 2.29 2.15 -0.05 -0.95 116.67 128.64 2qpu s ASP 180 Ca 0.35 2.58 -0.34 0.00 0.43 0.00 0.00 52.55 55.57 2qpu s ASP 180 Cb -0.11 -2.64 0.04 0.00 -0.30 0.00 0.00 42.92 39.92 2qpu s ASP 180 CO 0.22 -0.46 0.69 0.33 -0.17 0.00 0.00 175.17 175.77 2qpu n PHE 181 N 1.10 -1.41 0.39 -5.34 7.35 -1.26 -4.67 117.46 113.63 2qpu n PHE 181 Ca 0.01 0.08 0.06 0.00 -0.76 0.00 0.00 57.45 56.83 2qpu n PHE 181 Cb 0.42 -2.80 0.25 0.00 0.35 0.00 0.00 39.48 37.70 2qpu n PHE 181 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2qpu n ALA 182 N -5.02 1.52 0.70 3.13 0.00 -0.23 -1.22 120.51 119.39 2qpu n ALA 182 Ca -0.11 -0.03 0.13 0.00 0.00 0.00 0.00 53.44 53.42 2qpu n ALA 182 Cb 0.56 -1.19 0.48 0.00 0.00 0.00 0.00 19.45 19.30 2qpu n ALA 182 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qpu n ARG 183 N -1.53 0.14 0.24 0.00 5.12 -1.26 -3.15 116.66 116.22 2qpu n ARG 183 Ca 0.03 0.18 0.16 0.00 -1.93 0.00 0.00 57.85 56.28 2qpu n ARG 183 Cb 0.13 -1.69 0.65 0.00 -1.16 0.00 0.00 32.46 30.40 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 4.14 0.00 -3.03 -0.13 0.00 -1.37 -0.01 103.07 102.67 2qpu h GLY 184 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 2qpu h GLY 184 CO 0.00 0.00 -0.38 -2.52 0.00 0.00 0.00 176.54 173.64 2qpu s TYR 185 N -3.58 0.27 0.67 5.60 1.13 -1.19 -2.86 117.35 117.39 2qpu s TYR 185 Ca 0.02 -0.68 -0.15 0.00 -1.41 0.00 0.00 57.07 54.85 2qpu s TYR 185 Cb 0.09 -0.09 0.01 0.00 -1.10 0.00 0.00 41.96 40.87 2qpu s TYR 185 CO 0.49 -0.58 1.13 -1.54 -2.51 0.00 0.00 175.55 172.53 2qpu s SER 186 N -2.90 4.93 0.49 -0.18 1.04 -1.19 -4.72 113.70 111.18 2qpu s SER 186 Ca 0.09 2.06 0.25 0.00 0.48 0.00 0.00 55.95 58.83 2qpu s SER 186 Cb 0.05 -2.56 1.29 0.00 0.10 0.00 0.00 66.02 64.90 2qpu s SER 186 CO -0.07 -1.75 2.02 1.55 0.98 0.00 0.00 173.24 175.96 2qpu h PRO 187 N -0.05 0.00 -0.18 4.02 0.13 -1.90 -1.43 132.00 132.59 2qpu h PRO 187 Ca -0.47 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.59 2qpu h PRO 187 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2qpu h PRO 187 CO 0.53 0.16 -0.19 0.93 -0.23 0.00 0.00 178.00 179.20 2qpu h GLU 188 N 0.00 0.31 0.07 0.86 3.07 -1.92 0.44 114.58 117.41 2qpu h GLU 188 Ca -0.00 -0.09 -0.26 0.00 -0.50 0.00 0.00 59.36 58.51 2qpu h GLU 188 Cb 0.40 -0.03 0.01 0.00 -0.84 0.00 0.00 28.75 28.29 2qpu h GLU 188 CO 0.02 0.50 -1.10 0.52 -1.40 0.00 0.00 179.01 177.55 2qpu h MET 189 N 0.29 0.39 -0.36 2.33 2.86 -1.65 -3.02 114.93 115.76 2qpu h MET 189 Ca 0.05 -0.51 -0.05 0.00 -2.06 0.00 0.00 59.70 57.13 2qpu h MET 189 Cb 0.51 0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.32 2qpu h MET 189 CO 0.03 1.19 0.01 0.00 1.06 0.00 0.00 176.91 179.21 2qpu h ALA 190 N 0.61 1.35 -0.80 6.32 0.00 -0.95 -2.02 119.26 123.77 2qpu h ALA 190 Ca -0.12 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2qpu h ALA 190 Cb 1.78 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.37 2qpu h ALA 190 CO 0.19 0.45 0.50 -0.22 0.00 0.00 0.00 179.25 180.17 2qpu h LYS 191 N 0.54 1.07 -0.23 0.00 3.64 -0.84 -0.40 116.57 120.35 2qpu h LYS 191 Ca 0.12 -0.08 0.03 0.00 -1.27 0.00 0.00 60.65 59.45 2qpu h LYS 191 Cb 0.33 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 2qpu h LYS 191 CO 0.01 0.73 0.04 0.28 -2.27 0.00 0.00 179.45 178.23 2qpu h VAL 192 N 1.09 0.89 -0.20 2.00 2.07 -1.24 -0.11 116.25 120.75 2qpu h VAL 192 Ca 0.29 -0.04 -0.19 0.00 0.82 0.00 0.00 66.70 67.57 2qpu h VAL 192 Cb -0.08 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 2qpu h VAL 192 CO -0.06 0.02 -0.65 1.88 0.02 0.00 0.00 177.57 178.78 2qpu h TYR 193 N 0.12 0.96 0.44 1.57 0.05 -1.37 -1.72 116.97 117.02 2qpu h TYR 193 Ca 0.10 -0.38 -0.02 0.00 0.05 0.00 0.00 58.73 58.48 2qpu h TYR 193 Cb 0.11 -0.17 0.00 0.00 1.01 0.00 0.00 36.73 37.68 2qpu h TYR 193 CO -0.16 1.19 -0.21 0.82 -1.05 0.00 0.00 178.16 178.75 2qpu h ILE 194 N 0.54 0.46 -0.77 -2.88 2.04 -0.96 -2.30 117.51 113.64 2qpu h ILE 194 Ca -0.01 -0.47 0.04 0.00 1.00 0.00 0.00 64.86 65.41 2qpu h ILE 194 Cb 1.25 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 37.93 2qpu h ILE 194 CO 0.13 0.07 0.51 0.44 0.00 0.00 0.00 178.15 179.30 2qpu h ASP 195 N -0.91 0.81 0.79 1.72 5.19 -1.11 -2.43 116.42 120.48 2qpu h ASP 195 Ca -0.06 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 2qpu h ASP 195 Cb 0.57 -0.19 0.00 0.00 0.18 0.00 0.00 39.33 39.89 2qpu h ASP 195 CO 0.10 0.55 0.00 0.61 -3.12 0.00 0.00 179.24 177.38 2qpu n GLY 196 N -1.42 -1.40 0.00 2.75 0.00 -0.65 -3.94 105.19 100.53 2qpu n GLY 196 Ca 0.10 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.40 0.00 -4.02 2.61 -2.24 -0.87 -5.00 114.28 103.36 2qpu n THR 197 Ca 0.11 -0.43 -0.37 0.00 -2.27 0.00 0.00 64.05 61.08 2qpu n THR 197 Cb 0.29 1.13 -0.00 0.00 -2.10 0.00 0.00 70.33 69.65 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 -0.07 -2.83 -4.81 3.42 7.64 -0.95 -4.95 113.62 111.08 2qpu n SER 198 Ca 0.00 -1.19 -0.33 0.00 1.01 0.00 0.00 58.87 58.36 2qpu n SER 198 Cb 0.03 -2.24 -0.01 0.00 -1.01 0.00 0.00 64.21 60.99 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 -6.98 3.55 0.49 1.43 0.04 -1.26 -4.90 135.00 127.36 2qpu s PRO 199 Ca 0.32 1.18 0.19 0.00 0.04 0.00 0.00 61.00 62.74 2qpu s PRO 199 Cb -0.16 -2.07 1.23 0.00 0.04 0.00 0.00 34.50 33.55 2qpu s PRO 199 CO 0.94 -0.62 2.06 0.66 0.04 0.00 0.00 177.00 180.09 2qpu h SER 200 N 0.77 0.00 -4.66 6.66 4.64 -1.76 -3.44 113.55 115.76 2qpu h SER 200 Ca -0.47 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 60.88 2qpu h SER 200 Cb 1.21 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.13 2qpu h SER 200 CO 0.59 0.12 0.38 -1.48 -0.87 0.00 0.00 176.83 175.57 2qpu s LEU 201 N -8.29 -0.48 -0.32 5.97 0.05 -1.26 -4.94 118.68 109.41 2qpu s LEU 201 Ca -0.04 0.28 -0.02 0.00 0.05 0.00 0.00 54.13 54.40 2qpu s LEU 201 Cb 0.15 2.22 0.11 0.00 -2.05 0.00 0.00 46.19 46.63 2qpu s LEU 201 CO 0.65 -0.61 0.16 0.00 -0.55 0.00 0.00 176.35 176.00 2qpu s ALA 202 N -2.23 0.89 -0.29 1.48 0.00 -0.52 -1.81 121.76 119.28 2qpu s ALA 202 Ca -0.02 -1.47 -0.19 0.00 0.00 0.00 0.00 51.96 50.28 2qpu s ALA 202 Cb -0.01 -1.51 -0.02 0.00 0.00 0.00 0.00 23.12 21.59 2qpu s ALA 202 CO -0.02 -1.82 0.57 0.54 0.00 0.00 0.00 175.76 175.03 2qpu s VAL 203 N 1.63 5.00 -0.01 0.00 0.11 -0.51 -1.03 120.40 125.60 2qpu s VAL 203 Ca 0.12 0.79 -0.10 0.00 -2.93 0.00 0.00 61.98 59.87 2qpu s VAL 203 Cb -0.19 -3.93 -0.05 0.00 -1.53 0.00 0.00 36.38 30.68 2qpu s VAL 203 CO -0.22 -0.06 0.31 0.00 -3.33 0.00 0.00 175.10 171.79 2qpu s ALA 204 N 2.46 3.79 -0.73 1.54 0.00 -0.04 -1.01 121.76 127.77 2qpu s ALA 204 Ca 0.23 -0.45 -0.20 0.00 0.00 0.00 0.00 51.96 51.54 2qpu s ALA 204 Cb -0.15 -2.17 0.11 0.00 0.00 0.00 0.00 23.12 20.90 2qpu s ALA 204 CO 0.11 0.58 0.92 -2.00 0.00 0.00 0.00 175.76 175.37 2qpu s GLU 205 N -1.45 3.27 -0.45 0.00 2.12 -0.13 -2.33 118.70 119.73 2qpu s GLU 205 Ca 0.25 -1.38 -0.05 0.00 0.36 0.00 0.00 54.97 54.15 2qpu s GLU 205 Cb -0.14 -4.46 0.12 0.00 0.26 0.00 0.00 34.13 29.91 2qpu s GLU 205 CO 0.13 -1.68 0.27 0.08 -0.54 0.00 0.00 175.26 173.52 2qpu s VAL 206 N 2.95 3.60 -0.34 3.70 1.01 -1.26 -1.07 120.40 128.99 2qpu s VAL 206 Ca 0.22 -2.10 -0.02 0.00 0.00 0.00 0.00 61.98 60.07 2qpu s VAL 206 Cb -0.15 -3.42 0.07 0.00 0.00 0.00 0.00 36.38 32.88 2qpu s VAL 206 CO 0.02 -0.74 0.08 0.86 0.00 0.00 0.00 175.10 175.32 2qpu s TRP 207 N 1.04 3.40 0.15 5.22 -0.11 -1.26 -4.84 118.94 122.54 2qpu s TRP 207 Ca 0.09 -2.07 0.05 0.00 1.22 0.00 0.00 56.10 55.39 2qpu s TRP 207 Cb -0.23 -2.53 -0.04 0.00 -1.50 0.00 0.00 33.47 29.17 2qpu s TRP 207 CO -0.03 -0.86 0.09 -0.51 -4.62 0.00 0.00 176.95 171.02 2qpu s ASP 208 N 1.44 5.34 0.50 5.86 1.01 -1.26 -5.01 116.67 124.55 2qpu s ASP 208 Ca 0.00 -0.17 -0.23 0.00 0.71 0.00 0.00 52.55 52.87 2qpu s ASP 208 Cb -0.21 -1.35 -0.06 0.00 1.01 0.00 0.00 42.92 42.32 2qpu s ASP 208 CO -0.02 0.09 1.29 0.20 0.21 0.00 0.00 175.17 176.94 2qpu s ASN 209 N -2.92 5.69 -0.24 0.27 -0.87 -1.26 -5.00 114.94 110.62 2qpu s ASN 209 Ca 0.30 2.60 -0.10 0.00 -1.57 0.00 0.00 52.86 54.09 2qpu s ASN 209 Cb -0.10 -2.62 -0.05 0.00 -0.02 0.00 0.00 41.25 38.46 2qpu s ASN 209 CO 0.22 -1.27 0.14 -0.32 -2.57 0.00 0.00 177.10 173.30 2qpu s MET 210 N -2.76 4.00 0.28 -0.60 1.75 -1.26 -4.99 119.30 115.72 2qpu s MET 210 Ca 0.67 -0.31 -0.30 0.00 -1.25 0.00 0.00 55.69 54.51 2qpu s MET 210 Cb -0.36 -3.49 -0.11 0.00 2.84 0.00 0.00 34.83 33.72 2qpu s MET 210 CO 0.44 0.04 1.50 0.00 -0.65 0.00 0.00 175.02 176.35 2qpu s ALA 211 N 1.09 3.67 0.37 4.11 0.00 -1.26 -4.95 121.76 124.79 2qpu s ALA 211 Ca 0.07 1.45 0.08 0.00 0.00 0.00 0.00 51.96 53.55 2qpu s ALA 211 Cb -0.14 -3.60 -0.07 0.00 0.00 0.00 0.00 23.12 19.31 2qpu s ALA 211 CO 0.04 -0.87 -0.03 0.95 0.00 0.00 0.00 175.76 175.85 2qpu s THR 212 N -0.13 2.04 0.00 0.00 -4.23 -1.26 -1.74 115.64 110.32 2qpu s THR 212 Ca 0.60 -2.09 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 2qpu s THR 212 Cb -0.45 -2.81 0.00 0.00 1.34 0.00 0.00 72.50 70.58 2qpu s THR 212 CO 0.47 -0.10 0.00 0.61 -0.54 0.00 0.00 174.62 175.06 2qpu n GLY 213 N -0.86 2.21 0.27 3.99 0.00 0.45 -4.76 105.19 106.49 2qpu n GLY 213 Ca -0.05 -2.12 0.10 0.00 0.00 0.00 0.00 46.02 43.95 2qpu n GLY 213 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2qpu h GLY 214 N 0.00 0.00 -0.35 -0.02 0.00 -2.00 -1.09 103.07 99.61 2qpu h GLY 214 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2qpu h GLY 214 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.63 2qpu n ASP 215 N -4.26 1.11 0.00 0.19 5.68 -1.26 -4.90 116.55 113.11 2qpu n ASP 215 Ca -0.03 -1.61 0.00 0.00 -0.50 0.00 0.00 54.79 52.65 2qpu n ASP 215 Cb 0.10 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.01 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 1.02 1.85 3.89 6.12 0.00 -0.41 -5.02 105.19 112.64 2qpu n GLY 216 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.08 3.68 0.64 1.61 1.02 -1.26 -4.72 119.74 120.63 2qpu s LYS 217 Ca 0.00 0.23 -0.17 0.00 0.02 0.00 0.00 55.97 56.05 2qpu s LYS 217 Cb 0.00 -2.49 -0.01 0.00 -0.52 0.00 0.00 37.83 34.81 2qpu s LYS 217 CO 0.00 0.03 1.19 -1.25 -0.92 0.00 0.00 175.35 174.40 2qpu s PRO 218 N -3.91 2.72 0.57 -1.68 0.04 -1.26 -0.41 135.00 131.07 2qpu s PRO 218 Ca 0.48 1.72 -0.19 0.00 0.04 0.00 0.00 61.00 63.05 2qpu s PRO 218 Cb -0.10 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 2qpu s PRO 218 CO 0.33 -1.38 1.14 -0.80 0.04 0.00 0.00 177.00 176.33 2qpu s ASN 219 N -1.89 5.55 0.13 6.66 0.01 -0.71 -4.68 114.94 120.01 2qpu s ASN 219 Ca 0.75 2.18 -0.16 0.00 -0.71 0.00 0.00 52.86 54.91 2qpu s ASN 219 Cb -0.28 -2.58 -0.01 0.00 0.41 0.00 0.00 41.25 38.79 2qpu s ASN 219 CO 0.38 -1.33 1.70 0.22 -1.51 0.00 0.00 177.10 176.55 2qpu h TYR 220 N 0.97 0.56 -2.80 2.20 3.20 -1.93 -3.38 116.97 115.80 2qpu h TYR 220 Ca -0.50 -0.03 -0.58 0.00 3.14 0.00 0.00 58.73 60.77 2qpu h TYR 220 Cb 1.26 -0.17 -0.10 0.00 1.54 0.00 0.00 36.73 39.26 2qpu h TYR 220 CO 0.51 0.48 0.83 0.34 -1.64 0.00 0.00 178.16 178.69 2qpu s ASP 221 N -5.77 6.27 -0.25 -2.11 -1.08 -1.26 -4.85 116.67 107.61 2qpu s ASP 221 Ca -0.13 -0.40 0.13 0.00 -0.52 0.00 0.00 52.55 51.63 2qpu s ASP 221 Cb 0.10 -2.50 0.62 0.00 -1.46 0.00 0.00 42.92 39.67 2qpu s ASP 221 CO 0.74 -1.54 1.58 0.00 0.52 0.00 0.00 175.17 176.47 2qpu n GLN 222 N 8.42 3.08 -0.27 4.34 1.13 -1.26 -4.69 117.38 128.12 2qpu n GLN 222 Ca 0.03 -3.01 0.07 0.00 -1.94 0.00 0.00 57.00 52.15 2qpu n GLN 222 Cb 0.48 -1.99 0.31 0.00 0.11 0.00 0.00 30.24 29.15 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 2.04 0.78 -0.54 1.08 5.19 -1.89 -1.29 116.42 121.80 2qpu h ASP 223 Ca 0.14 0.02 -0.04 0.00 -0.62 0.00 0.00 57.03 56.52 2qpu h ASP 223 Cb 1.83 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 41.17 2qpu h ASP 223 CO 0.45 0.46 0.18 0.00 -3.12 0.00 0.00 179.24 177.21 2qpu h ALA 224 N 1.56 1.23 0.01 3.45 0.00 -1.99 0.18 119.26 123.70 2qpu h ALA 224 Ca 0.41 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2qpu h ALA 224 Cb 0.41 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2qpu h ALA 224 CO -0.17 0.55 -0.01 1.25 0.00 0.00 0.00 179.25 180.87 2qpu h HIS 225 N 0.85 -0.02 0.00 0.00 -0.00 -1.62 -2.71 115.15 111.65 2qpu h HIS 225 Ca 0.19 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.55 2qpu h HIS 225 Cb 0.24 0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 27.66 2qpu h HIS 225 CO 0.02 0.38 -0.04 0.07 -0.00 0.00 0.00 177.93 178.35 2qpu h ARG 226 N -0.42 0.00 -0.51 5.26 0.11 -1.28 -2.86 114.38 114.68 2qpu h ARG 226 Ca -0.00 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.99 2qpu h ARG 226 Cb 0.41 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.47 2qpu h ARG 226 CO 0.00 0.04 -0.01 0.37 0.10 0.00 0.00 179.97 180.48 2qpu h GLN 227 N 0.00 0.91 -0.95 0.08 5.75 -0.54 -0.59 115.11 119.77 2qpu h GLN 227 Ca -0.00 -0.30 0.01 0.00 -0.15 0.00 0.00 58.65 58.22 2qpu h GLN 227 Cb 0.67 -0.08 -0.05 0.00 1.07 0.00 0.00 27.48 29.09 2qpu h GLN 227 CO 0.01 0.94 0.63 -0.91 -2.65 0.00 0.00 178.83 176.84 2qpu h ASN 228 N 0.78 1.08 -0.19 -0.69 -0.26 -1.25 0.37 115.58 115.42 2qpu h ASN 228 Ca 0.14 -0.03 -0.05 0.00 -0.56 0.00 0.00 56.30 55.80 2qpu h ASN 228 Cb 0.54 -0.27 -0.00 0.00 -1.06 0.00 0.00 38.32 37.53 2qpu h ASN 228 CO 0.03 0.77 -0.10 -0.07 -1.06 0.00 0.00 177.43 177.01 2qpu h LEU 229 N 1.27 0.41 -1.12 1.61 3.38 -1.39 -2.05 115.31 117.43 2qpu h LEU 229 Ca 0.35 -0.42 -0.08 0.00 0.09 0.00 0.00 57.88 57.83 2qpu h LEU 229 Cb -0.13 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 2qpu h LEU 229 CO -0.08 0.74 -0.21 -0.37 0.09 0.00 0.00 178.44 178.61 2qpu h VAL 230 N 0.09 1.24 -0.62 1.22 -1.51 -0.92 -2.30 116.25 113.44 2qpu h VAL 230 Ca 0.04 -1.10 -0.05 0.00 -1.23 0.00 0.00 66.70 64.36 2qpu h VAL 230 Cb 0.58 1.31 -0.03 0.00 -2.13 0.00 0.00 31.29 31.03 2qpu h VAL 230 CO 0.03 0.35 0.20 0.78 -1.23 0.00 0.00 177.57 177.70 2qpu h ASN 231 N 0.33 0.87 -0.27 4.19 2.35 -0.79 0.08 115.58 122.34 2qpu h ASN 231 Ca 0.06 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.65 2qpu h ASN 231 Cb 0.56 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 2qpu h ASN 231 CO 0.04 0.81 0.11 -0.25 -1.65 0.00 0.00 177.43 176.49 2qpu h TRP 232 N 0.91 0.41 -0.76 1.19 7.01 -0.85 -1.57 115.95 122.30 2qpu h TRP 232 Ca 0.21 -0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.15 2qpu h TRP 232 Cb 0.25 -0.12 -0.03 0.00 -2.10 0.00 0.00 29.16 27.15 2qpu h TRP 232 CO 0.02 0.41 0.36 0.28 -2.79 0.00 0.00 178.44 176.72 2qpu h VAL 233 N 0.29 1.24 -0.35 2.65 2.07 -0.97 -1.57 116.25 119.62 2qpu h VAL 233 Ca 0.09 -0.69 0.01 0.00 0.82 0.00 0.00 66.70 66.93 2qpu h VAL 233 Cb 0.17 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 2qpu h VAL 233 CO -0.01 0.29 0.22 0.44 0.02 0.00 0.00 177.57 178.54 2qpu h ASP 234 N 1.07 0.39 0.74 0.57 3.32 -0.77 0.16 116.42 121.90 2qpu h ASP 234 Ca 0.26 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 2qpu h ASP 234 Cb 0.12 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 2qpu h ASP 234 CO -0.03 0.28 -0.07 0.11 -1.72 0.00 0.00 179.24 177.80 2qpu h LYS 235 N 0.46 0.00 0.00 3.56 1.57 -0.95 -2.35 116.57 118.86 2qpu h LYS 235 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2qpu h LYS 235 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.27 2qpu h LYS 235 CO -0.03 0.07 -0.28 1.55 -0.57 0.00 0.00 179.45 180.19 2qpu n VAL 236 N -3.26 0.06 0.00 0.50 3.14 -0.62 -4.41 118.33 113.73 2qpu n VAL 236 Ca -0.00 -0.04 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 2qpu n VAL 236 Cb 0.29 -0.12 0.00 0.00 -1.06 0.00 0.00 33.84 32.95 2qpu n VAL 236 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2qpu n GLY 237 N 1.48 0.81 7.00 7.55 0.00 -0.89 -4.71 105.19 116.44 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 3.27 0.25 -0.02 0.00 0.51 -1.92 105.19 107.28 2qpu n GLY 238 Ca 0.00 -0.24 0.17 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.99 1.00 -0.23 4.61 0.00 -1.94 -0.75 119.26 120.96 2qpu h ALA 239 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 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 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.25 2qpu n ALA 240 N -1.96 2.49 -2.46 0.00 0.00 -0.81 -4.87 120.51 112.90 2qpu n ALA 240 Ca -0.01 -0.51 -0.25 0.00 0.00 0.00 0.00 53.44 52.67 2qpu n ALA 240 Cb 0.12 -1.05 -0.12 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.29 2.91 0.00 0.00 0.15 -0.29 -4.99 113.70 110.20 2qpu s SER 241 Ca 0.26 -0.79 0.30 0.00 0.70 0.00 0.00 55.95 56.42 2qpu s SER 241 Cb 0.14 -0.18 1.42 0.00 -1.71 0.00 0.00 66.02 65.68 2qpu s SER 241 CO 0.20 0.06 1.96 0.00 1.20 0.00 0.00 173.24 176.67 2qpu n ALA 242 N 0.63 2.69 -1.79 5.45 0.00 -1.26 -4.86 120.51 121.36 2qpu n ALA 242 Ca -0.16 -0.27 -0.35 0.00 0.00 0.00 0.00 53.44 52.67 2qpu n ALA 242 Cb 0.55 -1.37 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 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 -2.26 2.57 0.37 0.00 0.00 -1.26 -1.44 107.32 105.30 2qpu s GLY 243 Ca 0.36 0.66 -0.11 0.00 0.00 0.00 0.00 44.72 45.63 2qpu s GLY 243 CO 0.42 1.01 0.68 -3.16 0.00 0.00 0.00 173.10 172.05 2qpu s MET 244 N -3.09 2.11 0.08 2.90 0.23 -0.20 -4.88 119.30 116.44 2qpu s MET 244 Ca 0.66 -1.53 0.03 0.00 -1.03 0.00 0.00 55.69 53.83 2qpu s MET 244 Cb -0.19 0.56 -0.03 0.00 -1.53 0.00 0.00 34.83 33.65 2qpu s MET 244 CO 0.22 -0.95 -0.09 0.14 -2.03 0.00 0.00 175.02 172.31 2qpu s VAL 245 N -2.64 0.81 0.15 5.16 -7.23 -0.62 -0.86 120.40 115.17 2qpu s VAL 245 Ca 0.20 -1.47 -0.30 0.00 -1.81 0.00 0.00 61.98 58.60 2qpu s VAL 245 Cb -0.04 -1.15 -0.07 0.00 0.56 0.00 0.00 36.38 35.69 2qpu s VAL 245 CO 0.14 -0.51 1.18 -0.36 -0.31 0.00 0.00 175.10 175.25 2qpu s PHE 246 N -2.14 3.46 -1.34 2.82 0.08 -0.98 -0.89 117.98 118.98 2qpu s PHE 246 Ca 0.01 1.42 -0.17 0.00 0.12 0.00 0.00 56.93 58.31 2qpu s PHE 246 Cb -0.05 -3.40 0.06 0.00 -0.57 0.00 0.00 43.02 39.06 2qpu s PHE 246 CO -0.00 -1.13 1.87 -3.47 -0.10 0.00 0.00 175.22 172.39 2qpu n ASP 247 N 2.83 4.64 0.27 1.36 -0.08 0.77 -4.72 116.55 121.62 2qpu n ASP 247 Ca 0.05 -2.90 0.15 0.00 -1.51 0.00 0.00 54.79 50.58 2qpu n ASP 247 Cb 0.45 -1.72 0.67 0.00 2.34 0.00 0.00 41.12 42.87 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 7.11 0.00 0.02 -0.67 0.04 -1.88 -2.31 116.94 119.24 2qpu h PHE 248 Ca 0.48 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.25 2qpu h PHE 248 Cb 0.80 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.95 2qpu h PHE 248 CO 1.43 0.08 -0.01 1.15 -0.60 0.00 0.00 178.31 180.36 2qpu h THR 249 N 0.00 1.21 -0.57 -1.55 2.02 -1.93 0.08 112.91 112.17 2qpu h THR 249 Ca -0.00 -0.71 -0.04 0.00 0.77 0.00 0.00 66.41 66.43 2qpu h THR 249 Cb 0.51 1.69 -0.03 0.00 -1.74 0.00 0.00 68.15 68.58 2qpu h THR 249 CO 0.01 0.18 0.18 0.74 0.37 0.00 0.00 175.52 177.00 2qpu h THR 250 N -0.33 1.22 -0.18 3.16 2.02 -1.85 -1.17 112.91 115.78 2qpu h THR 250 Ca -0.00 -0.76 -0.00 0.00 0.77 0.00 0.00 66.41 66.42 2qpu h THR 250 Cb 0.32 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 2qpu h THR 250 CO 0.00 0.29 0.10 0.50 0.37 0.00 0.00 175.52 176.78 2qpu h LYS 251 N 0.83 0.25 -0.47 6.66 1.63 -1.21 0.13 116.57 124.40 2qpu h LYS 251 Ca 0.19 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.93 2qpu h LYS 251 Cb 0.24 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.80 2qpu h LYS 251 CO -0.01 0.26 0.19 0.78 -3.45 0.00 0.00 179.45 177.22 2qpu h GLY 252 N 0.18 0.75 0.71 5.01 0.00 -0.62 -1.80 103.07 107.30 2qpu h GLY 252 Ca 0.06 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 46.97 2qpu h GLY 252 CO -0.01 0.38 -0.02 -2.22 0.00 0.00 0.00 176.54 174.67 2qpu h ILE 253 N 0.61 1.29 -0.96 2.60 2.04 -1.10 -3.15 117.51 118.85 2qpu h ILE 253 Ca 0.16 -0.93 0.04 0.00 1.00 0.00 0.00 64.86 65.13 2qpu h ILE 253 Cb 0.19 1.74 -0.06 0.00 -0.74 0.00 0.00 36.82 37.95 2qpu h ILE 253 CO -0.01 0.26 0.63 0.25 0.00 0.00 0.00 178.15 179.28 2qpu h LEU 254 N -0.16 1.03 -0.72 1.44 5.85 -0.71 0.35 115.31 122.38 2qpu h LEU 254 Ca 0.02 -0.01 0.13 0.00 0.84 0.00 0.00 57.88 58.87 2qpu h LEU 254 Cb 0.42 -0.23 -0.09 0.00 0.37 0.00 0.00 40.66 41.13 2qpu h LEU 254 CO 0.01 0.69 0.28 0.78 -0.34 0.00 0.00 178.44 179.86 2qpu h ASN 255 N 1.18 0.25 0.39 1.25 4.21 -1.28 -2.61 115.58 118.97 2qpu h ASN 255 Ca 0.39 0.10 -0.32 0.00 1.21 0.00 0.00 56.30 57.69 2qpu h ASN 255 Cb 0.06 0.09 0.00 0.00 -1.12 0.00 0.00 38.32 37.34 2qpu h ASN 255 CO -0.13 0.10 -1.55 0.00 -1.29 0.00 0.00 177.43 174.57 2qpu h ALA 256 N 1.52 0.19 -0.66 -0.83 0.00 -1.30 -3.38 119.26 114.79 2qpu h ALA 256 Ca 0.39 -1.07 0.06 0.00 0.00 0.00 0.00 54.91 54.30 2qpu h ALA 256 Cb 0.58 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.59 2qpu h ALA 256 CO -0.39 1.05 0.36 0.00 0.00 0.00 0.00 179.25 180.27 2qpu h ALA 257 N 0.38 0.89 0.00 0.00 0.00 0.01 -2.30 119.26 118.25 2qpu h ALA 257 Ca -0.26 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2qpu h ALA 257 Cb 2.05 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.73 2qpu h ALA 257 CO 0.18 0.02 0.00 1.33 0.00 0.00 0.00 179.25 180.78 2qpu n VAL 258 N -4.81 1.34 -1.76 0.00 0.24 -1.03 -1.04 118.33 111.28 2qpu n VAL 258 Ca 0.09 0.36 -0.34 0.00 -2.04 0.00 0.00 64.34 62.41 2qpu n VAL 258 Cb 0.19 -1.23 -0.03 0.00 -1.47 0.00 0.00 33.84 31.30 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 -1.61 3.60 -1.15 7.34 -0.58 -0.87 -4.67 120.64 122.70 2qpu n GLU 259 Ca 0.02 -2.94 -0.05 0.00 -0.42 0.00 0.00 57.16 53.77 2qpu n GLU 259 Cb 0.11 -2.41 -0.02 0.00 -0.57 0.00 0.00 31.44 28.55 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 1.36 0.76 2.56 0.62 0.00 -1.22 -4.93 105.19 104.33 2qpu n GLY 260 Ca 0.56 -0.47 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.38 1.83 0.00 1.61 1.02 -0.20 -4.48 120.64 118.04 2qpu n GLU 261 Ca -0.05 -3.71 0.06 0.00 -0.02 0.00 0.00 57.16 53.44 2qpu n GLU 261 Cb 0.23 -1.65 0.32 0.00 -0.02 0.00 0.00 31.44 30.32 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 -0.11 0.00 0.01 -4.62 4.77 -0.75 -1.90 117.00 114.40 2qpu n LEU 262 Ca 0.21 0.27 0.07 0.00 -0.03 0.00 0.00 56.01 56.53 2qpu n LEU 262 Cb 0.72 -0.27 0.32 0.00 -2.33 0.00 0.00 43.42 41.87 2qpu n LEU 262 CO 0.28 -0.16 0.74 -2.67 -1.33 0.00 0.00 177.39 174.25 2qpu n TRP 263 N -1.27 0.08 0.42 -1.77 4.27 -1.22 -1.94 117.44 116.01 2qpu n TRP 263 Ca 0.06 0.03 0.13 0.00 -3.89 0.00 0.00 57.50 53.83 2qpu n TRP 263 Cb 0.10 -0.55 0.41 0.00 -1.36 0.00 0.00 31.31 29.90 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 -0.98 -2.67 3.08 -1.69 -3.34 114.38 108.78 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 0.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.31 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 -2.60 1.62 -3.69 3.04 4.77 -0.82 -4.72 117.00 114.60 2qpu n LEU 265 Ca 0.04 -0.81 -0.13 0.00 -0.03 0.00 0.00 56.01 55.08 2qpu n LEU 265 Cb 0.39 -0.47 -0.09 0.00 -2.33 0.00 0.00 43.42 40.93 2qpu n LEU 265 CO 0.29 0.32 0.20 -0.51 -1.33 0.00 0.00 177.39 176.35 2qpu s ILE 266 N -0.61 -0.00 0.70 -0.08 2.07 -1.26 -4.41 121.20 117.60 2qpu s ILE 266 Ca 0.00 0.01 -0.03 0.00 -1.41 0.00 0.00 60.65 59.22 2qpu s ILE 266 Cb 0.00 -0.73 0.10 0.00 0.13 0.00 0.00 42.46 41.96 2qpu s ILE 266 CO 0.00 0.00 0.97 1.51 -1.91 0.00 0.00 174.94 175.52 2qpu s ASP 267 N 0.50 4.55 0.66 4.50 1.47 0.33 -4.79 116.67 123.90 2qpu s ASP 267 Ca -0.02 -0.06 0.44 0.00 1.18 0.00 0.00 52.55 54.09 2qpu s ASP 267 Cb -0.04 -0.46 2.40 0.00 -0.34 0.00 0.00 42.92 44.48 2qpu s ASP 267 CO -0.02 -1.71 2.37 -0.65 0.68 0.00 0.00 175.17 175.83 2qpu h PRO 268 N -0.50 0.00 -0.51 2.11 0.11 -1.99 -1.82 132.00 129.41 2qpu h PRO 268 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2qpu h PRO 268 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2qpu h PRO 268 CO 0.47 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.30 2qpu n GLN 269 N -3.12 2.30 -0.88 1.05 3.00 -1.26 -4.94 117.38 113.53 2qpu n GLN 269 Ca -0.03 -2.01 0.00 0.00 -0.01 0.00 0.00 57.00 54.95 2qpu n GLN 269 Cb 0.07 -1.45 0.00 0.00 0.00 0.00 0.00 30.24 28.86 2qpu n GLN 269 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2qpu n GLY 270 N 1.40 0.57 3.96 1.08 0.00 -0.68 -5.05 105.19 106.46 2qpu n GLY 270 Ca 0.19 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.12 2.92 0.40 1.61 -0.14 -1.26 -4.74 119.74 118.42 2qpu s LYS 271 Ca 0.00 -1.17 -0.27 0.00 -1.36 0.00 0.00 55.97 53.17 2qpu s LYS 271 Cb 0.00 -2.69 -0.09 0.00 -1.68 0.00 0.00 37.83 33.36 2qpu s LYS 271 CO 0.00 -0.03 1.38 0.00 -0.76 0.00 0.00 175.35 175.94 2qpu s ALA 272 N -2.27 3.35 -0.59 5.17 0.00 -1.26 -0.51 121.76 125.64 2qpu s ALA 272 Ca 0.47 1.38 0.24 0.00 0.00 0.00 0.00 51.96 54.04 2qpu s ALA 272 Cb -0.08 -3.54 0.92 0.00 0.00 0.00 0.00 23.12 20.42 2qpu s ALA 272 CO 0.30 -0.97 1.72 -0.35 0.00 0.00 0.00 175.76 176.47 2qpu n PRO 273 N 0.18 0.19 -0.43 0.00 -0.04 -1.26 -3.35 135.00 130.29 2qpu n PRO 273 Ca 0.03 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.84 2qpu n PRO 273 Cb 0.42 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 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 0.38 1.37 0.32 0.55 0.00 -1.26 -4.80 105.19 101.76 2qpu n GLY 274 Ca 0.03 -2.00 0.10 0.00 0.00 0.00 0.00 46.02 44.15 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 0.96 -0.99 1.61 2.07 -1.91 -1.05 116.25 116.84 2qpu h VAL 275 Ca 0.00 -0.09 0.24 0.00 0.82 0.00 0.00 66.70 67.67 2qpu h VAL 275 Cb 0.00 0.67 -0.08 0.00 -1.52 0.00 0.00 31.29 30.36 2qpu h VAL 275 CO 0.00 0.05 0.65 -0.03 0.02 0.00 0.00 177.57 178.25 2qpu h MET 276 N 0.26 0.38 0.00 1.57 1.85 -1.88 0.11 114.93 117.23 2qpu h MET 276 Ca 0.16 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.22 2qpu h MET 276 Cb 0.29 -0.09 0.00 0.00 0.43 0.00 0.00 31.60 32.24 2qpu h MET 276 CO -0.03 0.25 0.00 0.78 -0.40 0.00 0.00 176.91 177.51 2qpu h GLY 277 N 0.40 0.00 0.00 1.39 0.00 -1.19 -3.19 103.07 100.48 2qpu h GLY 277 Ca 0.54 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.62 2qpu h GLY 277 CO -0.23 0.00 -1.91 0.79 0.00 0.00 0.00 176.54 175.19 2qpu n TRP 278 N -3.03 0.00 -3.13 5.60 8.01 -0.16 -4.65 117.44 120.08 2qpu n TRP 278 Ca 0.03 0.00 -0.22 0.00 -1.31 0.00 0.00 57.50 56.00 2qpu n TRP 278 Cb 0.45 -0.61 -0.05 0.00 -2.01 0.00 0.00 31.31 29.09 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 -3.13 -0.80 0.09 -5.99 -0.00 0.20 -4.99 117.44 102.82 2qpu n TRP 279 Ca -0.29 -3.30 0.14 0.00 -0.00 0.00 0.00 57.50 54.04 2qpu n TRP 279 Cb 0.78 -0.07 0.64 0.00 -0.00 0.00 0.00 31.31 32.66 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 4.03 0.07 0.00 5.87 0.13 -1.64 -1.15 132.00 139.31 2qpu h PRO 280 Ca 0.04 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 2qpu h PRO 280 Cb 0.90 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.02 2qpu h PRO 280 CO 0.44 0.05 0.00 0.00 -0.23 0.00 0.00 178.00 178.26 2qpu h ALA 281 N 1.84 1.00 -0.26 -0.56 0.00 -1.91 -2.73 119.26 116.63 2qpu h ALA 281 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2qpu h ALA 281 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2qpu h ALA 281 CO -0.01 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.87 2qpu n LYS 282 N -3.02 2.84 -3.88 0.00 4.76 -0.44 -4.93 118.16 113.49 2qpu n LYS 282 Ca -0.01 -2.13 -0.35 0.00 -2.87 0.00 0.00 58.31 52.95 2qpu n LYS 282 Cb 0.19 -1.34 -0.14 0.00 -1.84 0.00 0.00 35.03 31.90 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 -1.40 2.87 -0.41 7.82 0.00 -1.03 -1.59 121.76 128.01 2qpu s ALA 283 Ca 0.23 -1.26 -0.15 0.00 0.00 0.00 0.00 51.96 50.78 2qpu s ALA 283 Cb 0.15 -1.82 0.02 0.00 0.00 0.00 0.00 23.12 21.48 2qpu s ALA 283 CO 0.12 -0.59 0.30 0.08 0.00 0.00 0.00 175.76 175.67 2qpu s VAL 284 N 1.47 5.25 0.39 0.00 1.01 -0.07 -0.20 120.40 128.25 2qpu s VAL 284 Ca 0.04 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.25 2qpu s VAL 284 Cb -0.15 -3.94 -0.06 0.00 0.00 0.00 0.00 36.38 32.23 2qpu s VAL 284 CO -0.02 -0.33 0.72 0.42 0.00 0.00 0.00 175.10 175.90 2qpu s THR 285 N 1.68 4.85 0.14 3.92 -4.23 -0.03 -0.16 115.64 121.80 2qpu s THR 285 Ca 0.05 0.45 -0.24 0.00 -1.18 0.00 0.00 61.69 60.77 2qpu s THR 285 Cb -0.19 -3.75 0.07 0.00 1.34 0.00 0.00 72.50 69.97 2qpu s THR 285 CO 0.10 -0.51 0.62 0.72 -0.54 0.00 0.00 174.62 175.01 2qpu s PHE 286 N -2.34 -0.54 -0.17 3.99 -0.71 -1.26 -0.41 117.98 116.53 2qpu s PHE 286 Ca 0.49 0.37 -0.06 0.00 -1.04 0.00 0.00 56.93 56.69 2qpu s PHE 286 Cb -0.10 0.55 -0.22 0.00 -1.21 0.00 0.00 43.02 42.03 2qpu s PHE 286 CO 0.32 -0.82 0.16 0.28 -1.34 0.00 0.00 175.22 173.82 2qpu n VAL 287 N -0.29 1.67 -3.48 -2.49 0.31 -1.26 -4.69 118.33 108.09 2qpu n VAL 287 Ca -0.17 -0.56 -0.10 0.00 -0.01 0.00 0.00 64.34 63.50 2qpu n VAL 287 Cb 0.64 -1.69 -0.03 0.00 -0.91 0.00 0.00 33.84 31.86 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 -6.91 -0.45 0.11 4.52 1.01 -1.26 -4.41 116.67 109.27 2qpu s ASP 288 Ca -0.27 0.08 0.02 0.00 0.71 0.00 0.00 52.55 53.09 2qpu s ASP 288 Cb 0.08 0.46 -0.01 0.00 1.01 0.00 0.00 42.92 44.46 2qpu s ASP 288 CO 0.69 -0.71 0.06 -0.46 0.21 0.00 0.00 175.17 174.96 2qpu n ASN 289 N -0.13 0.43 0.24 0.27 0.23 -1.26 -4.57 115.26 110.48 2qpu n ASN 289 Ca -0.12 -1.62 0.17 0.00 -0.53 0.00 0.00 54.58 52.47 2qpu n ASN 289 Cb 0.62 0.38 0.83 0.00 -2.08 0.00 0.00 39.78 39.54 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 1.25 0.00 0.00 -2.53 2.07 -1.86 -0.69 115.15 113.38 2qpu h HIS 290 Ca -0.08 0.00 -0.27 0.00 -2.85 0.00 0.00 60.37 57.17 2qpu h HIS 290 Cb 0.35 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.28 2qpu h HIS 290 CO 0.00 0.00 -1.65 -0.25 -3.07 0.00 0.00 177.93 172.96 2qpu n ASP 291 N -2.70 1.90 0.09 3.10 8.00 -1.26 -4.33 116.55 121.35 2qpu n ASP 291 Ca -0.01 0.41 -0.03 0.00 0.71 0.00 0.00 54.79 55.87 2qpu n ASP 291 Cb 0.12 -0.87 0.20 0.00 -0.02 0.00 0.00 41.12 40.54 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 1.33 -0.04 -3.53 1.35 -1.87 -0.90 112.91 108.25 2qpu h THR 292 Ca -0.41 -1.63 0.00 0.00 -0.55 0.00 0.00 66.41 63.82 2qpu h THR 292 Cb 1.30 1.76 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 2qpu h THR 292 CO -0.25 0.48 0.00 0.61 -0.25 0.00 0.00 175.52 176.11 2qpu n GLY 293 N -0.08 5.23 7.00 5.82 0.00 -0.27 -0.59 105.19 122.30 2qpu n GLY 293 Ca -0.02 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.43 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 0.20 1.61 2.88 -1.25 -1.01 113.62 116.04 2qpu n SER 294 Ca 0.00 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.66 2qpu n SER 294 Cb 0.00 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 63.63 2qpu n SER 294 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 2qpu h THR 295 N 0.00 0.00 0.06 2.46 1.35 -1.94 -3.30 112.91 111.54 2qpu h THR 295 Ca 0.00 -0.96 -0.25 0.00 -0.55 0.00 0.00 66.41 64.66 2qpu h THR 295 Cb 0.00 1.90 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 2qpu h THR 295 CO 0.00 0.00 -1.07 1.56 -0.25 0.00 0.00 175.52 175.76 2qpu h GLN 296 N 0.00 0.35 -6.90 4.72 4.20 -1.71 -3.48 115.11 112.29 2qpu h GLN 296 Ca 0.00 -0.46 -0.58 0.00 0.06 0.00 0.00 58.65 57.67 2qpu h GLN 296 Cb 0.98 0.15 -0.11 0.00 0.30 0.00 0.00 27.48 28.80 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 -2.54 -2.24 0.20 3.87 0.00 -0.18 -4.87 120.51 114.75 2qpu n ALA 297 Ca -0.08 -0.44 0.08 0.00 0.00 0.00 0.00 53.44 53.01 2qpu n ALA 297 Cb 0.91 -1.70 0.27 0.00 0.00 0.00 0.00 19.45 18.93 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 -2.08 0.00 0.00 0.00 2.86 -0.84 -3.40 114.93 111.47 2qpu h MET 298 Ca -0.67 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 56.79 2qpu h MET 298 Cb 1.40 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 32.93 2qpu h MET 298 CO 0.62 0.26 -0.19 1.87 1.06 0.00 0.00 176.91 180.54 2qpu n TRP 299 N -3.26 -1.73 -1.88 -0.22 -0.00 -0.62 -4.96 117.44 104.77 2qpu n TRP 299 Ca 0.02 -1.48 -0.39 0.00 -0.00 0.00 0.00 57.50 55.64 2qpu n TRP 299 Cb 0.55 1.43 0.01 0.00 -0.00 0.00 0.00 31.31 33.30 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 0.16 3.66 0.32 5.87 0.04 0.24 -4.69 135.00 140.60 2qpu s PRO 300 Ca 0.20 2.29 -0.28 0.00 0.04 0.00 0.00 61.00 63.24 2qpu s PRO 300 Cb 0.28 -2.60 -0.09 0.00 0.04 0.00 0.00 34.50 32.13 2qpu s PRO 300 CO -0.11 -0.79 1.10 0.12 0.04 0.00 0.00 177.00 177.36 2qpu s PHE 301 N -1.25 3.46 -0.29 0.56 5.36 -1.26 -4.87 117.98 119.68 2qpu s PHE 301 Ca 0.62 1.67 -0.37 0.00 -0.96 0.00 0.00 56.93 57.89 2qpu s PHE 301 Cb -0.41 -3.27 -0.13 0.00 -0.34 0.00 0.00 43.02 38.87 2qpu s PHE 301 CO 0.52 -0.65 1.99 -2.30 -1.46 0.00 0.00 175.22 173.32 2qpu n PRO 302 N 0.82 1.22 -0.23 10.12 -0.02 -1.26 -4.79 135.00 140.85 2qpu n PRO 302 Ca 0.01 0.40 0.21 0.00 -2.02 0.00 0.00 63.50 62.10 2qpu n PRO 302 Cb 0.46 -2.33 0.56 0.00 -0.02 0.00 0.00 33.50 32.17 2qpu n PRO 302 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2qpu h SER 303 N 10.03 0.32 0.81 2.55 4.64 -2.02 -0.08 113.55 129.80 2qpu h SER 303 Ca -0.36 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 2qpu h SER 303 Cb 1.32 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 2qpu h SER 303 CO 0.99 0.12 0.00 -0.90 -0.87 0.00 0.00 176.83 176.18 2qpu n ASP 304 N -4.47 0.00 -0.09 4.97 3.85 -1.26 -3.60 116.55 115.94 2qpu n ASP 304 Ca 0.19 0.39 0.08 0.00 -0.71 0.00 0.00 54.79 54.75 2qpu n ASP 304 Cb 0.76 -0.46 0.12 0.00 -1.35 0.00 0.00 41.12 40.19 2qpu n ASP 304 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 2qpu n LYS 305 N -1.46 1.69 -0.28 0.11 5.02 -0.05 -4.79 118.16 118.39 2qpu n LYS 305 Ca 0.07 -2.37 0.04 0.00 -2.02 0.00 0.00 58.31 54.03 2qpu n LYS 305 Cb 0.28 -1.41 0.18 0.00 -0.02 0.00 0.00 35.03 34.06 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 0.08 0.83 0.00 -0.18 2.07 -1.60 -0.99 116.25 116.46 2qpu h VAL 306 Ca 0.00 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.27 2qpu h VAL 306 Cb 0.92 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 2qpu h VAL 306 CO 0.01 0.13 -0.09 0.24 0.02 0.00 0.00 177.57 177.88 2qpu h MET 307 N 0.69 0.00 -0.24 1.57 2.86 -1.89 -0.39 114.93 117.52 2qpu h MET 307 Ca 0.41 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.89 2qpu h MET 307 Cb 0.46 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 2qpu h MET 307 CO -0.29 0.09 -0.49 1.96 1.06 0.00 0.00 176.91 179.24 2qpu h GLN 308 N 0.00 0.65 -0.76 1.72 4.20 -1.45 -0.68 115.11 118.79 2qpu h GLN 308 Ca -0.00 -0.38 -0.02 0.00 0.06 0.00 0.00 58.65 58.31 2qpu h GLN 308 Cb 0.34 0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.12 2qpu h GLN 308 CO 0.01 0.99 0.38 0.78 -0.67 0.00 0.00 178.83 180.32 2qpu h GLY 309 N 0.98 1.16 1.68 3.46 0.00 -0.82 -1.79 103.07 107.74 2qpu h GLY 309 Ca 0.03 -0.56 -0.19 0.00 0.00 0.00 0.00 47.33 46.61 2qpu h GLY 309 CO 0.10 0.53 -0.79 -0.97 0.00 0.00 0.00 176.54 175.41 2qpu h TYR 310 N 1.06 0.43 -0.75 5.60 0.05 -1.21 -1.80 116.97 120.35 2qpu h TYR 310 Ca 0.26 -0.21 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 2qpu h TYR 310 Cb 0.09 -0.06 -0.04 0.00 1.01 0.00 0.00 36.73 37.74 2qpu h TYR 310 CO 0.01 0.98 0.42 0.00 -1.05 0.00 0.00 178.16 178.51 2qpu h ALA 311 N 0.96 1.32 0.28 3.88 0.00 -0.90 0.09 119.26 124.89 2qpu h ALA 311 Ca -0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2qpu h ALA 311 Cb 1.38 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2qpu h ALA 311 CO 0.13 0.56 -0.13 -0.92 0.00 0.00 0.00 179.25 178.89 2qpu h TYR 312 N 1.05 -0.34 -0.29 0.00 3.20 -1.19 -3.21 116.97 116.19 2qpu h TYR 312 Ca 0.27 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.08 2qpu h TYR 312 Cb 0.02 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 2qpu h TYR 312 CO 0.01 -0.21 -0.05 -0.84 -1.64 0.00 0.00 178.16 175.42 2qpu h ILE 313 N -0.55 1.20 0.00 1.81 3.07 -1.31 -2.21 117.51 119.51 2qpu h ILE 313 Ca -0.04 -0.82 0.00 0.00 1.55 0.00 0.00 64.86 65.55 2qpu h ILE 313 Cb 0.28 1.04 0.00 0.00 -0.27 0.00 0.00 36.82 37.87 2qpu h ILE 313 CO 0.06 0.27 0.00 0.18 -1.05 0.00 0.00 178.15 177.62 2qpu n LEU 314 N -4.27 0.65 -0.02 0.16 4.77 0.02 -3.39 117.00 114.93 2qpu n LEU 314 Ca 0.01 0.61 0.06 0.00 -0.03 0.00 0.00 56.01 56.66 2qpu n LEU 314 Cb 0.26 -0.45 -0.12 0.00 -2.33 0.00 0.00 43.42 40.77 2qpu n LEU 314 CO 0.39 -0.34 -0.73 0.35 -1.33 0.00 0.00 177.39 175.73 2qpu n THR 315 N -2.16 0.13 -2.54 -5.08 -2.24 -1.09 -4.62 114.28 96.68 2qpu n THR 315 Ca 0.04 -0.40 -0.25 0.00 -2.27 0.00 0.00 64.05 61.17 2qpu n THR 315 Cb 0.32 0.04 0.03 0.00 -2.10 0.00 0.00 70.33 68.62 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 -3.02 3.11 1.17 4.78 3.76 -0.85 -4.88 115.29 119.36 2qpu s HIS 316 Ca -0.06 0.39 -0.15 0.00 -0.15 0.00 0.00 55.06 55.09 2qpu s HIS 316 Cb 0.10 -2.73 0.28 0.00 1.11 0.00 0.00 32.58 31.34 2qpu s HIS 316 CO 0.66 -0.83 1.04 -1.25 -0.85 0.00 0.00 174.74 173.51 2qpu s PRO 317 N -4.90 -0.97 0.00 8.40 0.04 -1.26 -4.83 135.00 131.49 2qpu s PRO 317 Ca 0.54 0.49 0.00 0.00 0.04 0.00 0.00 61.00 62.08 2qpu s PRO 317 Cb -0.10 -1.58 0.00 0.00 0.04 0.00 0.00 34.50 32.86 2qpu s PRO 317 CO 0.42 -3.66 0.00 0.41 0.04 0.00 0.00 177.00 174.21 2qpu n GLY 318 N 0.12 0.09 3.25 0.56 0.00 0.16 -4.87 105.19 104.50 2qpu n GLY 318 Ca 0.06 -1.90 -0.37 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.42 3.56 0.39 -0.61 1.01 0.72 -3.94 121.20 120.90 2qpu s ILE 319 Ca 0.00 -1.20 -0.25 0.00 0.00 0.00 0.00 60.65 59.21 2qpu s ILE 319 Cb 0.00 -3.02 -0.09 0.00 0.01 0.00 0.00 42.46 39.36 2qpu s ILE 319 CO 0.00 -0.15 1.07 -2.16 0.00 0.00 0.00 174.94 173.70 2qpu s PRO 320 N 1.36 4.18 -0.14 2.79 0.04 -1.26 -0.85 135.00 141.12 2qpu s PRO 320 Ca -0.03 1.58 0.01 0.00 0.04 0.00 0.00 61.00 62.61 2qpu s PRO 320 Cb -0.20 -2.61 0.02 0.00 0.04 0.00 0.00 34.50 31.75 2qpu s PRO 320 CO 0.02 -0.14 -0.16 0.00 0.04 0.00 0.00 177.00 176.76 2qpu s ILE 322 N 1.22 4.89 -0.12 0.00 1.01 0.16 -4.32 121.20 124.04 2qpu s ILE 322 Ca -0.01 1.13 -0.18 0.00 0.00 0.00 0.00 60.65 61.59 2qpu s ILE 322 Cb -0.14 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 2qpu s ILE 322 CO -0.07 0.50 0.49 0.12 0.00 0.00 0.00 174.94 175.98 2qpu s PHE 323 N -0.67 3.51 0.20 3.97 5.36 -1.26 -0.30 117.98 128.80 2qpu s PHE 323 Ca 0.28 0.90 -0.20 0.00 -0.96 0.00 0.00 56.93 56.96 2qpu s PHE 323 Cb -0.18 -2.57 0.16 0.00 -0.34 0.00 0.00 43.02 40.09 2qpu s PHE 323 CO 0.17 0.16 1.48 0.98 -1.46 0.00 0.00 175.22 176.55 2qpu n TYR 324 N 3.70 -0.08 -0.21 10.12 4.19 -0.80 -1.98 117.16 132.10 2qpu n TYR 324 Ca -0.07 1.19 0.00 0.00 3.31 0.00 0.00 57.90 62.33 2qpu n TYR 324 Cb 0.52 -0.79 0.11 0.00 0.49 0.00 0.00 39.34 39.67 2qpu n TYR 324 CO 0.00 0.00 0.00 -0.44 0.91 0.00 0.00 176.86 177.33 2qpu h ASP 325 N 0.00 0.20 0.06 2.98 5.19 -1.89 -1.49 116.42 121.47 2qpu h ASP 325 Ca 0.29 0.08 -0.03 0.00 -0.62 0.00 0.00 57.03 56.76 2qpu h ASP 325 Cb 0.53 0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.11 2qpu h ASP 325 CO -0.94 0.12 -0.09 0.45 -3.12 0.00 0.00 179.24 175.65 2qpu h HIS 326 N 0.39 0.08 0.09 4.55 3.86 -1.74 0.15 115.15 122.54 2qpu h HIS 326 Ca 0.31 -0.00 -0.25 0.00 -1.16 0.00 0.00 60.37 59.27 2qpu h HIS 326 Cb 0.40 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 2qpu h HIS 326 CO -0.18 0.18 -1.27 0.35 0.86 0.00 0.00 177.93 177.87 2qpu h PHE 327 N 0.08 0.34 0.00 2.45 3.57 -1.35 -3.18 116.94 118.85 2qpu h PHE 327 Ca 0.02 -0.25 -0.15 0.00 3.53 0.00 0.00 57.97 61.13 2qpu h PHE 327 Cb 0.22 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.92 2qpu h PHE 327 CO 0.00 1.50 -2.00 1.19 -2.23 0.00 0.00 178.31 176.77 2qpu n PHE 328 N -4.05 0.00 -0.11 0.41 3.72 -0.62 -3.46 117.46 113.34 2qpu n PHE 328 Ca -0.25 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 56.96 2qpu n PHE 328 Cb 0.83 -0.62 -0.06 0.00 -0.94 0.00 0.00 39.48 38.69 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 -2.37 1.95 -4.69 4.37 5.03 -0.31 -4.95 115.26 114.28 2qpu n ASN 329 Ca -0.15 0.34 -0.29 0.00 0.87 0.00 0.00 54.58 55.35 2qpu n ASN 329 Cb 0.75 -0.78 0.16 0.00 -1.02 0.00 0.00 39.78 38.89 2qpu n ASN 329 CO 0.00 0.00 0.00 0.26 -1.83 0.00 0.00 177.26 175.69 2qpu s TRP 330 N -2.71 2.18 -0.24 3.10 0.52 0.37 -4.92 118.94 117.24 2qpu s TRP 330 Ca -0.34 1.18 0.01 0.00 0.02 0.00 0.00 56.10 56.97 2qpu s TRP 330 Cb 0.09 -3.19 0.28 0.00 -1.15 0.00 0.00 33.47 29.50 2qpu s TRP 330 CO 0.46 -2.64 1.61 0.41 0.02 0.00 0.00 176.95 176.80 2qpu n GLY 331 N -0.98 3.44 1.46 0.98 0.00 -1.26 -4.44 105.19 104.38 2qpu n GLY 331 Ca 0.06 -0.68 0.09 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.07 1.28 0.10 1.61 3.72 -1.20 -4.66 117.46 118.24 2qpu n PHE 332 Ca 0.28 -0.54 -0.14 0.00 -0.05 0.00 0.00 57.45 57.01 2qpu n PHE 332 Cb 0.90 -0.17 -0.07 0.00 -0.94 0.00 0.00 39.48 39.20 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 3.92 -0.59 -0.57 -1.08 3.64 -1.72 0.24 116.57 120.40 2qpu h LYS 333 Ca 0.00 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2qpu h LYS 333 Cb 1.26 0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 33.19 2qpu h LYS 333 CO 0.16 -0.39 0.29 -0.44 -2.27 0.00 0.00 179.45 176.80 2qpu h ASP 334 N -0.61 0.74 -0.82 4.20 3.45 -1.90 -0.90 116.42 120.58 2qpu h ASP 334 Ca 0.03 -0.12 -0.04 0.00 0.43 0.00 0.00 57.03 57.33 2qpu h ASP 334 Cb 0.66 -0.19 -0.04 0.00 -0.56 0.00 0.00 39.33 39.20 2qpu h ASP 334 CO -0.26 0.65 0.36 1.56 -1.57 0.00 0.00 179.24 179.98 2qpu h GLN 335 N 0.78 1.21 -0.25 3.56 4.20 -1.82 -1.09 115.11 121.70 2qpu h GLN 335 Ca 0.20 -0.20 -0.12 0.00 0.06 0.00 0.00 58.65 58.58 2qpu h GLN 335 Cb 0.10 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.67 2qpu h GLN 335 CO -0.03 0.96 -0.32 0.82 -0.67 0.00 0.00 178.83 179.59 2qpu h ILE 336 N 1.19 1.31 -0.58 2.54 2.04 -0.76 -2.77 117.51 120.48 2qpu h ILE 336 Ca 0.28 -1.51 -0.03 0.00 1.00 0.00 0.00 64.86 64.61 2qpu h ILE 336 Cb 0.18 1.69 -0.03 0.00 -0.74 0.00 0.00 36.82 37.91 2qpu h ILE 336 CO -0.03 0.48 0.25 0.00 0.00 0.00 0.00 178.15 178.85 2qpu h ALA 337 N 0.67 1.36 -0.40 1.87 0.00 -1.00 -1.87 119.26 119.89 2qpu h ALA 337 Ca 0.03 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 2qpu h ALA 337 Cb 0.90 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2qpu h ALA 337 CO 0.08 0.49 -0.08 0.00 0.00 0.00 0.00 179.25 179.74 2qpu h ALA 338 N 1.46 1.12 -0.31 0.00 0.00 -1.12 -1.06 119.26 119.35 2qpu h ALA 338 Ca 0.20 -0.28 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 2qpu h ALA 338 Cb 0.13 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 2qpu h ALA 338 CO -0.02 0.55 -0.44 -0.07 0.00 0.00 0.00 179.25 179.27 2qpu h LEU 339 N 0.63 0.92 -1.04 0.00 3.38 -1.14 -2.49 115.31 115.56 2qpu h LEU 339 Ca 0.12 -0.51 -0.07 0.00 0.09 0.00 0.00 57.88 57.51 2qpu h LEU 339 Cb 0.51 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2qpu h LEU 339 CO 0.03 1.25 -0.09 0.58 0.09 0.00 0.00 178.44 180.29 2qpu h VAL 340 N 0.62 1.23 -0.73 1.22 2.07 -1.16 -1.80 116.25 117.70 2qpu h VAL 340 Ca 0.03 -1.01 -0.04 0.00 0.82 0.00 0.00 66.70 66.50 2qpu h VAL 340 Cb 1.04 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 2qpu h VAL 340 CO 0.10 0.34 0.31 0.00 0.02 0.00 0.00 177.57 178.34 2qpu h ALA 341 N 1.37 1.17 -0.50 1.67 0.00 -1.04 0.20 119.26 122.13 2qpu h ALA 341 Ca 0.10 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 2qpu h ALA 341 Cb 0.48 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2qpu h ALA 341 CO 0.03 0.61 0.00 0.82 0.00 0.00 0.00 179.25 180.71 2qpu h ILE 342 N 1.05 1.26 -0.18 0.00 2.04 -0.99 0.40 117.51 121.09 2qpu h ILE 342 Ca 0.25 -1.08 0.00 0.00 1.00 0.00 0.00 64.86 65.03 2qpu h ILE 342 Cb 0.17 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 2qpu h ILE 342 CO -0.03 0.38 0.12 -0.09 0.00 0.00 0.00 178.15 178.53 2qpu h ARG 343 N 0.75 0.24 -0.09 2.37 2.43 -0.68 -2.23 114.38 117.16 2qpu h ARG 343 Ca 0.14 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.27 2qpu h ARG 343 Cb 0.52 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.01 2qpu h ARG 343 CO 0.03 0.16 -0.04 -0.22 -1.51 0.00 0.00 179.97 178.39 2qpu h LYS 344 N 0.24 0.19 -0.82 0.20 3.64 -0.85 -1.30 116.57 117.88 2qpu h LYS 344 Ca 0.07 -0.08 0.11 0.00 -1.27 0.00 0.00 60.65 59.48 2qpu h LYS 344 Cb -0.02 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.73 2qpu h LYS 344 CO -0.01 0.53 0.53 -0.09 -2.27 0.00 0.00 179.45 178.14 2qpu h ARG 345 N -0.16 0.69 -0.58 1.90 2.43 -0.88 -1.44 114.38 116.34 2qpu h ARG 345 Ca 0.02 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2qpu h ARG 345 Cb 0.47 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 2qpu h ARG 345 CO 0.01 0.46 0.00 0.09 -1.51 0.00 0.00 179.97 179.02 2qpu n ASN 346 N -4.52 3.23 -2.35 -3.80 3.02 -0.85 -4.94 115.26 105.06 2qpu n ASN 346 Ca 0.14 -2.13 -0.20 0.00 -0.03 0.00 0.00 54.58 52.37 2qpu n ASN 346 Cb 0.37 -0.42 -0.01 0.00 -0.61 0.00 0.00 39.78 39.10 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 1.21 -0.33 3.72 7.41 0.00 -0.54 -4.94 105.19 111.72 2qpu n GLY 347 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.97 3.90 0.31 -0.61 1.01 -0.51 -4.98 121.20 117.35 2qpu s ILE 348 Ca 0.00 1.47 0.04 0.00 0.00 0.00 0.00 60.65 62.16 2qpu s ILE 348 Cb 0.00 -3.94 -0.02 0.00 0.01 0.00 0.00 42.46 38.51 2qpu s ILE 348 CO 0.00 0.17 0.15 0.35 0.00 0.00 0.00 174.94 175.61 2qpu n THR 349 N 3.25 0.00 -0.13 2.92 -2.24 -1.26 -4.73 114.28 112.10 2qpu n THR 349 Ca 0.06 -1.89 0.18 0.00 -2.27 0.00 0.00 64.05 60.13 2qpu n THR 349 Cb 0.46 0.76 0.56 0.00 -2.10 0.00 0.00 70.33 70.01 2qpu n THR 349 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qpu h ALA 350 N 1.62 2.26 -0.70 6.98 0.00 -1.90 -2.13 119.26 125.39 2qpu h ALA 350 Ca -0.23 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2qpu h ALA 350 Cb 0.96 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.72 2qpu h ALA 350 CO 0.36 -0.46 0.00 0.25 0.00 0.00 0.00 179.25 179.41 2qpu n THR 351 N -4.44 1.45 -1.70 0.00 -2.24 -1.26 -0.66 114.28 105.43 2qpu n THR 351 Ca 0.14 -1.10 -0.39 0.00 -2.27 0.00 0.00 64.05 60.43 2qpu n THR 351 Cb 0.58 0.30 0.03 0.00 -2.10 0.00 0.00 70.33 69.14 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 1.40 2.18 -4.76 3.42 7.64 -0.80 -4.94 113.62 117.77 2qpu n SER 352 Ca 0.26 0.99 -0.40 0.00 1.01 0.00 0.00 58.87 60.72 2qpu n SER 352 Cb 0.77 -1.50 -0.03 0.00 -1.01 0.00 0.00 64.21 62.44 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 -1.30 3.36 -0.18 -0.43 0.00 -1.26 -4.58 121.76 117.36 2qpu s ALA 353 Ca 0.69 0.98 0.01 0.00 0.00 0.00 0.00 51.96 53.64 2qpu s ALA 353 Cb -0.45 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.32 2qpu s ALA 353 CO 0.52 -0.34 -0.18 -1.17 0.00 0.00 0.00 175.76 174.58 2qpu s LEU 354 N -1.80 2.21 -0.28 0.00 2.96 -1.26 -1.13 118.68 119.38 2qpu s LEU 354 Ca 0.49 -0.62 0.03 0.00 -0.22 0.00 0.00 54.13 53.80 2qpu s LEU 354 Cb -0.33 -1.51 0.06 0.00 0.50 0.00 0.00 46.19 44.92 2qpu s LEU 354 CO 0.43 0.00 -0.07 -0.75 -1.32 0.00 0.00 176.35 174.63 2qpu s LYS 355 N 1.29 2.16 -0.22 1.98 2.20 0.15 -4.99 119.74 122.31 2qpu s LYS 355 Ca 0.05 -1.42 -0.25 0.00 -0.36 0.00 0.00 55.97 53.99 2qpu s LYS 355 Cb -0.13 -2.97 -0.01 0.00 -1.51 0.00 0.00 37.83 33.21 2qpu s LYS 355 CO -0.11 -0.63 0.84 0.42 -0.36 0.00 0.00 175.35 175.51 2qpu s ILE 356 N 1.09 4.84 -0.13 5.43 1.01 -1.26 0.07 121.20 132.24 2qpu s ILE 356 Ca -0.06 1.62 0.20 0.00 0.00 0.00 0.00 60.65 62.41 2qpu s ILE 356 Cb -0.20 -4.14 -0.18 0.00 0.01 0.00 0.00 42.46 37.95 2qpu s ILE 356 CO -0.05 -0.05 0.67 0.18 0.00 0.00 0.00 174.94 175.68 2qpu n LEU 357 N 5.82 0.45 -3.66 2.97 4.77 0.90 -4.95 117.00 123.30 2qpu n LEU 357 Ca 0.06 0.19 -0.11 0.00 -0.03 0.00 0.00 56.01 56.11 2qpu n LEU 357 Cb 0.48 0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 41.55 2qpu n LEU 357 CO 0.48 0.05 0.29 -0.32 -1.33 0.00 0.00 177.39 176.56 2qpu s MET 358 N -3.19 0.68 -0.39 3.23 0.00 -0.83 -4.92 119.30 113.87 2qpu s MET 358 Ca -0.05 0.99 0.10 0.00 0.00 0.00 0.00 55.69 56.74 2qpu s MET 358 Cb 0.10 0.22 0.33 0.00 0.00 0.00 0.00 34.83 35.49 2qpu s MET 358 CO 0.84 -0.12 0.76 -2.39 0.00 0.00 0.00 175.02 174.11 2qpu n HIS 359 N 3.53 -0.45 -3.46 4.11 1.44 -1.25 -0.87 115.22 118.27 2qpu n HIS 359 Ca -0.17 -3.47 -0.19 0.00 -2.01 0.00 0.00 57.72 51.87 2qpu n HIS 359 Cb 0.57 -0.05 -0.00 0.00 0.12 0.00 0.00 29.99 30.62 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 -1.76 3.10 0.26 -1.40 2.02 0.04 -3.89 118.70 117.06 2qpu s GLU 360 Ca 0.36 -1.03 -0.02 0.00 0.02 0.00 0.00 54.97 54.31 2qpu s GLU 360 Cb 0.31 -2.81 0.55 0.00 0.10 0.00 0.00 34.13 32.28 2qpu s GLU 360 CO -0.09 0.05 1.69 0.78 0.02 0.00 0.00 175.26 177.72 2qpu h GLY 361 N 0.89 1.21 -2.48 -1.39 0.00 -1.88 -2.18 103.07 97.23 2qpu h GLY 361 Ca -0.45 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 46.79 2qpu h GLY 361 CO 0.52 -0.21 0.00 2.09 0.00 0.00 0.00 176.54 178.94 2qpu n ASP 362 N -5.10 3.66 -3.64 0.19 5.75 -1.26 -1.81 116.55 114.33 2qpu n ASP 362 Ca 0.17 -1.99 -0.06 0.00 -0.01 0.00 0.00 54.79 52.89 2qpu n ASP 362 Cb 0.52 -0.38 -0.07 0.00 -1.03 0.00 0.00 41.12 40.16 2qpu n ASP 362 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2qpu s ALA 363 N -1.24 -1.96 -0.10 2.12 0.00 -0.82 -1.86 121.76 117.89 2qpu s ALA 363 Ca 0.44 2.37 0.02 0.00 0.00 0.00 0.00 51.96 54.79 2qpu s ALA 363 Cb 0.24 -1.48 0.01 0.00 0.00 0.00 0.00 23.12 21.89 2qpu s ALA 363 CO 0.32 -0.37 -0.15 -0.47 0.00 0.00 0.00 175.76 175.09 2qpu s TYR 364 N 1.53 1.93 -0.05 0.00 5.04 -0.66 -0.78 117.35 124.35 2qpu s TYR 364 Ca -0.09 -0.88 0.01 0.00 -2.44 0.00 0.00 57.07 53.67 2qpu s TYR 364 Cb -0.05 -1.39 0.02 0.00 0.35 0.00 0.00 41.96 40.89 2qpu s TYR 364 CO -0.18 -0.45 -0.07 0.08 -1.34 0.00 0.00 175.55 173.59 2qpu s VAL 365 N 0.94 0.73 0.04 3.14 1.01 -0.05 -1.61 120.40 124.60 2qpu s VAL 365 Ca -0.08 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.67 2qpu s VAL 365 Cb -0.15 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.49 2qpu s VAL 365 CO -0.01 0.27 -0.05 0.00 0.00 0.00 0.00 175.10 175.31 2qpu s ALA 366 N 0.83 0.40 -0.12 5.51 0.00 -0.32 -0.07 121.76 127.99 2qpu s ALA 366 Ca -0.12 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.03 2qpu s ALA 366 Cb -0.15 0.14 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 2qpu s ALA 366 CO 0.01 -0.16 -0.17 -2.00 0.00 0.00 0.00 175.76 173.44 2qpu s GLU 367 N -2.14 3.24 -0.15 0.00 2.12 0.11 -0.97 118.70 120.91 2qpu s GLU 367 Ca -0.08 -0.76 -0.02 0.00 0.36 0.00 0.00 54.97 54.47 2qpu s GLU 367 Cb -0.05 -2.52 -0.02 0.00 0.26 0.00 0.00 34.13 31.80 2qpu s GLU 367 CO -0.02 0.17 -0.09 0.42 -0.54 0.00 0.00 175.26 175.19 2qpu s ILE 368 N 0.43 3.34 -1.10 -3.70 1.09 0.13 -0.67 121.20 120.71 2qpu s ILE 368 Ca -0.13 -0.55 0.00 0.00 -1.10 0.00 0.00 60.65 58.88 2qpu s ILE 368 Cb -0.17 -2.44 0.00 0.00 -1.06 0.00 0.00 42.46 38.79 2qpu s ILE 368 CO 0.06 0.50 0.00 0.47 -0.10 0.00 0.00 174.94 175.87 2qpu n ASP 369 N 3.76 -3.25 -1.84 3.58 8.00 -0.28 -0.95 116.55 125.56 2qpu n ASP 369 Ca -0.18 0.26 -0.19 0.00 0.71 0.00 0.00 54.79 55.39 2qpu n ASP 369 Cb 0.52 -2.96 -0.06 0.00 -0.02 0.00 0.00 41.12 38.60 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 -0.44 1.00 0.00 0.44 0.00 -1.26 -4.77 105.19 100.16 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 -2.49 3.05 -4.10 1.61 5.02 -0.13 -5.07 118.16 116.04 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 0.64 -0.66 -0.15 0.00 -0.02 0.00 0.00 35.03 34.84 2qpu n LYS 371 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2qpu s VAL 372 N -0.93 0.35 -0.05 -0.18 1.01 -0.85 -4.23 120.40 115.51 2qpu s VAL 372 Ca 0.00 -0.16 0.05 0.00 0.00 0.00 0.00 61.98 61.88 2qpu s VAL 372 Cb 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 36.38 36.05 2qpu s VAL 372 CO 0.00 0.11 -0.22 -0.69 0.00 0.00 0.00 175.10 174.30 2qpu s VAL 373 N 0.09 1.83 0.04 2.92 1.01 -0.90 0.21 120.40 125.61 2qpu s VAL 373 Ca -0.01 -0.94 0.05 0.00 0.00 0.00 0.00 61.98 61.08 2qpu s VAL 373 Cb -0.04 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 2qpu s VAL 373 CO -0.00 0.51 -0.14 0.54 0.00 0.00 0.00 175.10 176.01 2qpu s VAL 374 N -0.08 1.13 -0.01 2.92 0.11 -0.14 0.08 120.40 124.41 2qpu s VAL 374 Ca -0.04 -1.02 0.01 0.00 -2.93 0.00 0.00 61.98 58.00 2qpu s VAL 374 Cb -0.13 -1.03 0.01 0.00 -1.53 0.00 0.00 36.38 33.70 2qpu s VAL 374 CO 0.03 -0.00 -0.03 -0.75 -3.33 0.00 0.00 175.10 171.02 2qpu s LYS 375 N -1.17 0.33 0.06 1.54 2.36 -0.21 -1.18 119.74 121.47 2qpu s LYS 375 Ca 0.02 -0.08 0.01 0.00 -2.55 0.00 0.00 55.97 53.37 2qpu s LYS 375 Cb -0.08 -0.37 -0.03 0.00 -1.05 0.00 0.00 37.83 36.30 2qpu s LYS 375 CO 0.01 0.01 -0.06 0.96 1.55 0.00 0.00 175.35 177.83 2qpu s ILE 376 N 0.26 0.50 0.00 5.43 -4.36 -0.63 -1.46 121.20 120.93 2qpu s ILE 376 Ca -0.02 -1.49 0.00 0.00 -0.26 0.00 0.00 60.65 58.88 2qpu s ILE 376 Cb -0.05 -1.11 0.00 0.00 1.25 0.00 0.00 42.46 42.55 2qpu s ILE 376 CO -0.01 -0.67 0.00 0.61 0.24 0.00 0.00 174.94 175.11 2qpu n GLY 377 N 0.71 3.49 0.26 6.27 0.00 -0.64 -1.66 105.19 113.62 2qpu n GLY 377 Ca -0.18 -1.84 0.16 0.00 0.00 0.00 0.00 46.02 44.16 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 -6.27 1.61 0.13 -1.81 -3.42 132.00 122.23 2qpu h PRO 378 Ca 0.00 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.57 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 0.00 1.10 0.50 -0.23 0.00 0.00 178.00 179.37 2qpu s ARG 379 N -3.55 3.89 -0.00 0.86 3.52 -0.78 -4.91 118.95 117.98 2qpu s ARG 379 Ca 0.03 1.74 -0.25 0.00 -0.13 0.00 0.00 55.73 57.12 2qpu s ARG 379 Cb 0.08 -4.01 -0.19 0.00 -1.56 0.00 0.00 34.95 29.27 2qpu s ARG 379 CO 0.57 -1.18 1.33 -0.92 -0.81 0.00 0.00 175.30 174.29 2qpu h TYR 380 N 10.33 -0.02 -3.54 5.12 5.03 -1.90 -3.44 116.97 128.55 2qpu h TYR 380 Ca -0.34 -0.00 -0.62 0.00 2.58 0.00 0.00 58.73 60.35 2qpu h TYR 380 Cb 1.15 0.01 -0.13 0.00 1.55 0.00 0.00 36.73 39.31 2qpu h TYR 380 CO 0.90 0.38 0.17 0.34 -1.32 0.00 0.00 178.16 178.63 2qpu s ASP 381 N -5.58 6.48 -0.01 -2.11 2.15 -1.26 -4.83 116.67 111.51 2qpu s ASP 381 Ca -0.15 0.32 0.02 0.00 0.43 0.00 0.00 52.55 53.16 2qpu s ASP 381 Cb 0.02 -2.34 0.02 0.00 -0.30 0.00 0.00 42.92 40.33 2qpu s ASP 381 CO 0.66 -0.55 0.76 1.33 -0.17 0.00 0.00 175.17 177.21 2qpu n VAL 382 N 5.51 0.41 -0.33 1.11 0.24 -1.26 -4.87 118.33 119.13 2qpu n VAL 382 Ca -0.01 -0.44 0.25 0.00 -2.04 0.00 0.00 64.34 62.10 2qpu n VAL 382 Cb 0.49 0.69 0.54 0.00 -1.47 0.00 0.00 33.84 34.08 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 1.10 2.00 7.63 0.00 -1.97 0.50 103.07 112.34 2qpu h GLY 383 Ca 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 2qpu h GLY 383 CO 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 176.54 176.38 2qpu h ALA 384 N 1.60 1.05 -0.00 3.60 0.00 -2.02 -2.70 119.26 120.78 2qpu h ALA 384 Ca 0.60 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.50 2qpu h ALA 384 Cb 1.63 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.42 2qpu h ALA 384 CO -0.28 0.02 -0.81 1.55 0.00 0.00 0.00 179.25 179.74 2qpu n VAL 385 N -3.18 0.00 -2.58 0.00 3.14 0.16 -4.90 118.33 110.97 2qpu n VAL 385 Ca -0.02 -0.06 -0.43 0.00 -2.96 0.00 0.00 64.34 60.88 2qpu n VAL 385 Cb 0.18 0.95 -0.02 0.00 -1.06 0.00 0.00 33.84 33.88 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 -2.87 4.51 0.85 1.55 -1.09 -1.02 -5.01 121.20 118.12 2qpu s ILE 386 Ca 0.11 1.81 -0.13 0.00 -2.23 0.00 0.00 60.65 60.20 2qpu s ILE 386 Cb 0.17 -4.24 0.04 0.00 -1.58 0.00 0.00 42.46 36.85 2qpu s ILE 386 CO 0.78 -0.25 0.77 -2.65 -1.23 0.00 0.00 174.94 172.36 2qpu n PRO 387 N 6.56 -0.01 -2.09 2.79 -0.02 -1.26 -4.92 135.00 136.04 2qpu n PRO 387 Ca 0.13 0.06 -0.39 0.00 -2.02 0.00 0.00 63.50 61.27 2qpu n PRO 387 Cb 0.46 -2.09 -0.00 0.00 -0.02 0.00 0.00 33.50 31.84 2qpu n PRO 387 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qpu s ALA 388 N -2.22 3.19 0.00 3.55 0.00 -1.26 -3.36 121.76 121.67 2qpu s ALA 388 Ca 0.65 1.17 0.00 0.00 0.00 0.00 0.00 51.96 53.78 2qpu s ALA 388 Cb -0.27 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.38 2qpu s ALA 388 CO 0.59 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.96 2qpu n GLY 389 N 0.65 3.19 3.76 0.00 0.00 -1.26 -5.06 105.19 106.48 2qpu n GLY 389 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.79 3.91 -0.01 1.61 0.40 -1.21 -4.56 117.98 115.34 2qpu s PHE 390 Ca 0.00 1.72 0.05 0.00 -0.60 0.00 0.00 56.93 58.10 2qpu s PHE 390 Cb 0.00 -2.86 -0.01 0.00 0.51 0.00 0.00 43.02 40.65 2qpu s PHE 390 CO 0.00 0.45 -0.15 0.54 0.70 0.00 0.00 175.22 176.76 2qpu s VAL 391 N -0.95 1.20 0.17 -0.44 0.11 0.88 -4.90 120.40 116.47 2qpu s VAL 391 Ca 0.39 -0.69 -0.33 0.00 -2.93 0.00 0.00 61.98 58.42 2qpu s VAL 391 Cb -0.24 -1.01 -0.13 0.00 -1.53 0.00 0.00 36.38 33.47 2qpu s VAL 391 CO 0.28 0.31 1.64 0.41 -3.33 0.00 0.00 175.10 174.41 2qpu n THR 392 N 2.62 0.02 -0.06 5.04 -1.04 -1.26 -1.13 114.28 118.47 2qpu n THR 392 Ca -0.15 -0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.76 2qpu n THR 392 Cb 0.55 -1.70 -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 3.70 2.50 -3.89 8.00 2.88 0.13 -4.86 113.62 122.08 2qpu n SER 393 Ca 0.17 -0.01 -0.11 0.00 -1.33 0.00 0.00 58.87 57.59 2qpu n SER 393 Cb 0.31 -0.25 -0.10 0.00 -0.75 0.00 0.00 64.21 63.42 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 -2.25 -0.25 0.09 -1.46 0.00 -1.07 -5.01 121.76 111.81 2qpu s ALA 394 Ca -0.17 -0.17 -0.26 0.00 0.00 0.00 0.00 51.96 51.36 2qpu s ALA 394 Cb 0.05 0.09 0.07 0.00 0.00 0.00 0.00 23.12 23.33 2qpu s ALA 394 CO 0.27 -0.19 0.65 -3.38 0.00 0.00 0.00 175.76 173.12 2qpu s HIS 395 N -1.27 -0.55 0.00 0.00 -3.43 -1.26 -0.16 115.29 108.61 2qpu s HIS 395 Ca -0.14 0.53 0.00 0.00 -0.80 0.00 0.00 55.06 54.66 2qpu s HIS 395 Cb -0.07 0.52 0.00 0.00 -1.43 0.00 0.00 32.58 31.59 2qpu s HIS 395 CO 0.01 -0.75 0.00 0.41 -2.00 0.00 0.00 174.74 172.41 2qpu n GLY 396 N -0.01 2.69 3.60 -1.38 0.00 -0.54 -4.99 105.19 104.56 2qpu n GLY 396 Ca -0.17 -0.62 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 2qpu n GLY 396 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qpu s ASN 397 N 2.00 5.65 -1.56 1.61 0.01 -1.26 -2.88 114.94 118.50 2qpu s ASN 397 Ca 0.00 1.70 -0.04 0.00 -0.71 0.00 0.00 52.86 53.81 2qpu s ASN 397 Cb 0.00 -2.52 0.01 0.00 0.41 0.00 0.00 41.25 39.15 2qpu s ASN 397 CO 0.00 -1.84 0.49 0.47 -1.51 0.00 0.00 177.10 174.71 2qpu n ASP 398 N 11.05 -5.84 -3.56 -1.22 8.00 -1.26 -4.63 116.55 119.09 2qpu n ASP 398 Ca 0.27 -0.24 -0.16 0.00 0.71 0.00 0.00 54.79 55.37 2qpu n ASP 398 Cb 0.45 -4.75 -0.06 0.00 -0.02 0.00 0.00 41.12 36.74 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 -3.12 -0.52 -0.04 1.24 1.13 -1.14 -1.62 117.35 113.28 2qpu s TYR 399 Ca 0.26 0.78 -0.26 0.00 -1.41 0.00 0.00 57.07 56.45 2qpu s TYR 399 Cb -0.12 0.36 0.05 0.00 -1.10 0.00 0.00 41.96 41.16 2qpu s TYR 399 CO 0.32 -0.61 0.56 0.00 -2.51 0.00 0.00 175.55 173.31 2qpu s ALA 400 N -1.72 -1.44 -0.02 9.51 0.00 -0.54 -1.47 121.76 126.08 2qpu s ALA 400 Ca -0.09 0.98 0.02 0.00 0.00 0.00 0.00 51.96 52.87 2qpu s ALA 400 Cb -0.01 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.15 2qpu s ALA 400 CO 0.05 -0.34 -0.07 0.08 0.00 0.00 0.00 175.76 175.47 2qpu s VAL 401 N -1.27 0.65 0.17 0.00 1.01 0.77 -1.05 120.40 120.68 2qpu s VAL 401 Ca -0.12 -0.30 0.10 0.00 0.00 0.00 0.00 61.98 61.66 2qpu s VAL 401 Cb -0.02 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 2qpu s VAL 401 CO 0.08 0.21 -0.16 0.26 0.00 0.00 0.00 175.10 175.49 2qpu s TRP 402 N 0.15 2.52 0.34 5.22 0.51 0.11 0.20 118.94 127.99 2qpu s TRP 402 Ca -0.02 -0.27 0.07 0.00 -2.12 0.00 0.00 56.10 53.76 2qpu s TRP 402 Cb -0.07 -1.26 -0.03 0.00 -0.81 0.00 0.00 33.47 31.30 2qpu s TRP 402 CO 0.00 0.48 0.27 -1.21 -0.51 0.00 0.00 176.95 175.98 2qpu s GLU 403 N -2.63 1.79 0.00 4.98 2.02 -0.28 -2.11 118.70 122.46 2qpu s GLU 403 Ca 0.22 -2.04 0.22 0.00 0.02 0.00 0.00 54.97 53.39 2qpu s GLU 403 Cb -0.09 0.26 0.18 0.00 0.10 0.00 0.00 34.13 34.58 2qpu s GLU 403 CO 0.12 -0.65 1.21 1.63 0.02 0.00 0.00 175.26 177.60