#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2q0h n GLN 0 N 0.00 0.00 0.04 3.23 7.27 -1.26 -4.92 117.38 121.74 2q0h n GLN 0 Ca 0.00 0.40 -0.12 0.00 0.07 0.00 0.00 57.00 57.35 2q0h n GLN 0 Cb 0.00 -0.21 -0.09 0.00 2.41 0.00 0.00 30.24 32.35 2q0h n GLN 0 CO 0.00 0.00 0.00 1.98 0.07 0.00 0.00 177.06 179.11 2q0h h MET 1 N 0.00 -0.15 -4.93 3.69 1.85 -0.93 -3.40 114.93 111.06 2q0h h MET 1 Ca 0.00 0.01 -0.63 0.00 -0.61 0.00 0.00 59.70 58.47 2q0h h MET 1 Cb 0.00 0.03 -0.35 0.00 0.43 0.00 0.00 31.60 31.72 2q0h h MET 1 CO 0.00 0.30 -0.85 0.42 -0.40 0.00 0.00 176.91 176.38 2q0h s ILE 2 N -3.97 1.76 -0.13 1.77 1.01 0.66 -0.76 121.20 121.54 2q0h s ILE 2 Ca -0.15 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 59.73 2q0h s ILE 2 Cb 0.01 -1.59 0.02 0.00 0.01 0.00 0.00 42.46 40.91 2q0h s ILE 2 CO 0.58 0.49 -0.16 -0.62 0.00 0.00 0.00 174.94 175.23 2q0h s ASP 3 N 1.00 2.67 -0.28 3.58 -1.08 -0.92 -0.32 116.67 121.33 2q0h s ASP 3 Ca -0.05 -0.49 -0.02 0.00 -0.52 0.00 0.00 52.55 51.48 2q0h s ASP 3 Cb -0.15 -1.20 0.09 0.00 -1.46 0.00 0.00 42.92 40.20 2q0h s ASP 3 CO -0.04 0.00 0.08 -0.69 0.52 0.00 0.00 175.17 175.05 2q0h s VAL 4 N 1.14 0.66 -0.18 1.11 1.01 0.11 -1.42 120.40 122.82 2q0h s VAL 4 Ca -0.02 -1.10 -0.18 0.00 0.00 0.00 0.00 61.98 60.68 2q0h s VAL 4 Cb -0.14 -1.42 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 2q0h s VAL 4 CO -0.05 -0.57 0.50 -1.00 0.00 0.00 0.00 175.10 173.98 2q0h s HIS 5 N 1.74 3.40 -0.20 5.22 3.76 -1.01 -1.32 115.29 126.89 2q0h s HIS 5 Ca 0.07 0.79 -0.03 0.00 -0.15 0.00 0.00 55.06 55.73 2q0h s HIS 5 Cb -0.17 -2.63 0.00 0.00 1.11 0.00 0.00 32.58 30.89 2q0h s HIS 5 CO -0.23 -0.03 0.13 0.00 -0.85 0.00 0.00 174.74 173.76 2q0h n GLN 6 N 4.51 -0.59 -2.50 1.40 10.64 -1.19 -2.26 117.38 127.38 2q0h n GLN 6 Ca -0.06 -0.13 -0.42 0.00 -1.83 0.00 0.00 57.00 54.57 2q0h n GLN 6 Cb 0.51 -0.09 -0.03 0.00 -0.86 0.00 0.00 30.24 29.77 2q0h n GLN 6 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 2q0h s LEU 7 N -4.01 4.34 -0.01 2.61 2.96 -0.57 -2.83 118.68 121.17 2q0h s LEU 7 Ca 0.05 1.87 0.04 0.00 -0.22 0.00 0.00 54.13 55.87 2q0h s LEU 7 Cb -0.03 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.08 2q0h s LEU 7 CO 0.19 -0.46 -0.14 -0.54 -1.32 0.00 0.00 176.35 174.07 2q0h s LYS 8 N 1.43 1.14 -0.01 1.98 1.02 -1.23 -1.45 119.74 122.63 2q0h s LYS 8 Ca 0.56 -0.49 0.01 0.00 0.02 0.00 0.00 55.97 56.06 2q0h s LYS 8 Cb -0.26 -1.09 0.00 0.00 -0.52 0.00 0.00 37.83 35.96 2q0h s LYS 8 CO 0.26 0.29 -0.02 0.21 -0.92 0.00 0.00 175.35 175.18 2q0h s LYS 9 N -0.30 0.17 -0.01 1.68 2.47 -0.67 -1.55 119.74 121.53 2q0h s LYS 9 Ca 0.05 -0.04 0.00 0.00 -1.56 0.00 0.00 55.97 54.42 2q0h s LYS 9 Cb -0.06 -0.20 0.01 0.00 -1.46 0.00 0.00 37.83 36.13 2q0h s LYS 9 CO -0.00 0.01 0.01 -1.12 0.16 0.00 0.00 175.35 174.41 2q0h s SER 10 N 0.13 0.02 -0.80 1.43 0.01 -1.26 -0.97 113.70 112.26 2q0h s SER 10 Ca -0.01 0.01 -0.09 0.00 1.31 0.00 0.00 55.95 57.18 2q0h s SER 10 Cb -0.03 -0.02 0.21 0.00 0.21 0.00 0.00 66.02 66.39 2q0h s SER 10 CO -0.00 -0.04 0.70 -0.36 0.41 0.00 0.00 173.24 173.95 2q0h s PHE 11 N 0.32 3.72 0.00 2.43 0.08 0.57 -4.92 117.98 120.19 2q0h s PHE 11 Ca -0.03 -2.41 0.00 0.00 0.12 0.00 0.00 56.93 54.61 2q0h s PHE 11 Cb -0.04 -3.56 0.00 0.00 -0.57 0.00 0.00 43.02 38.85 2q0h s PHE 11 CO -0.01 -0.91 0.00 0.41 -0.10 0.00 0.00 175.22 174.61 2q0h n GLY 12 N 3.49 1.62 1.27 4.36 0.00 -1.26 -2.90 105.19 111.76 2q0h n GLY 12 Ca 0.14 -0.67 0.04 0.00 0.00 0.00 0.00 46.02 45.53 2q0h n GLY 12 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2q0h n SER 13 N 6.65 4.13 -4.21 1.61 3.41 -1.26 -4.87 113.62 119.08 2q0h n SER 13 Ca 0.00 -3.15 -0.36 0.00 -0.26 0.00 0.00 58.87 55.10 2q0h n SER 13 Cb 0.00 -0.61 -0.13 0.00 -0.26 0.00 0.00 64.21 63.21 2q0h n SER 13 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2q0h s LEU 14 N -2.91 4.23 -0.39 1.04 2.96 -1.14 -5.08 118.68 117.38 2q0h s LEU 14 Ca 0.47 -1.32 -0.29 0.00 -0.22 0.00 0.00 54.13 52.77 2q0h s LEU 14 Cb 0.38 -1.79 0.02 0.00 0.50 0.00 0.00 46.19 45.30 2q0h s LEU 14 CO 0.09 -0.32 1.10 -0.70 -1.32 0.00 0.00 176.35 175.20 2q0h s GLU 15 N 1.30 3.90 -0.15 1.98 2.12 -1.26 -0.31 118.70 126.27 2q0h s GLU 15 Ca -0.02 0.83 -0.13 0.00 0.36 0.00 0.00 54.97 56.00 2q0h s GLU 15 Cb -0.20 -3.82 -0.10 0.00 0.26 0.00 0.00 34.13 30.27 2q0h s GLU 15 CO 0.00 -1.13 0.10 0.28 -0.54 0.00 0.00 175.26 173.98 2q0h h VAL 16 N 5.97 0.51 -3.28 3.70 2.07 -1.42 -3.43 116.25 120.36 2q0h h VAL 16 Ca -0.22 -1.51 -0.73 0.00 0.82 0.00 0.00 66.70 65.06 2q0h h VAL 16 Cb 1.06 1.09 -0.26 0.00 -1.52 0.00 0.00 31.29 31.65 2q0h h VAL 16 CO 1.08 0.17 -0.35 -0.76 0.02 0.00 0.00 177.57 177.73 2q0h s LEU 17 N -8.20 5.69 0.00 2.57 1.43 -0.95 -3.65 118.68 115.57 2q0h s LEU 17 Ca -0.16 -1.69 0.00 0.00 -1.03 0.00 0.00 54.13 51.26 2q0h s LEU 17 Cb 0.02 -2.09 0.00 0.00 0.03 0.00 0.00 46.19 44.15 2q0h s LEU 17 CO 0.34 -0.69 0.55 0.29 0.23 0.00 0.00 176.35 177.07 2q0h n LYS 18 N 5.05 0.67 -0.36 1.70 5.02 -0.21 -1.67 118.16 128.37 2q0h n LYS 18 Ca -0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 2q0h n LYS 18 Cb 0.42 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 34.20 2q0h n LYS 18 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2q0h n GLY 19 N 0.50 -0.45 3.07 0.72 0.00 -0.89 -4.92 105.19 103.21 2q0h n GLY 19 Ca 0.00 -0.80 -0.16 0.00 0.00 0.00 0.00 46.02 45.06 2q0h n GLY 19 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2q0h s ILE 20 N 0.00 0.72 -0.11 -0.61 -4.36 -0.53 -4.77 121.20 111.55 2q0h s ILE 20 Ca 0.00 -0.88 0.03 0.00 -0.26 0.00 0.00 60.65 59.54 2q0h s ILE 20 Cb 0.00 -0.70 -0.00 0.00 1.25 0.00 0.00 42.46 43.00 2q0h s ILE 20 CO 0.00 -0.14 -0.21 0.20 0.24 0.00 0.00 174.94 175.03 2q0h s ASN 21 N -1.13 3.33 -0.10 4.36 0.01 -1.26 -1.51 114.94 118.65 2q0h s ASN 21 Ca -0.03 -0.50 -0.10 0.00 -0.71 0.00 0.00 52.86 51.53 2q0h s ASN 21 Cb -0.08 -1.43 0.03 0.00 0.41 0.00 0.00 41.25 40.18 2q0h s ASN 21 CO 0.01 0.17 0.27 -0.69 -1.51 0.00 0.00 177.10 175.35 2q0h s VAL 22 N 0.31 0.00 -0.12 1.60 1.01 -0.43 -5.00 120.40 117.76 2q0h s VAL 22 Ca -0.16 -0.01 -0.03 0.00 0.00 0.00 0.00 61.98 61.78 2q0h s VAL 22 Cb -0.17 -0.39 0.04 0.00 0.00 0.00 0.00 36.38 35.86 2q0h s VAL 22 CO 0.08 -0.00 0.05 -1.00 0.00 0.00 0.00 175.10 174.22 2q0h s HIS 23 N 0.13 0.45 -0.15 5.22 3.76 -1.26 0.05 115.29 123.49 2q0h s HIS 23 Ca -0.00 -0.25 0.02 0.00 -0.15 0.00 0.00 55.06 54.68 2q0h s HIS 23 Cb -0.02 -0.74 0.01 0.00 1.11 0.00 0.00 32.58 32.95 2q0h s HIS 23 CO 0.00 -0.41 -0.21 0.42 -0.85 0.00 0.00 174.74 173.69 2q0h s ILE 24 N 2.05 2.10 0.26 0.60 1.01 0.57 -4.98 121.20 122.80 2q0h s ILE 24 Ca 0.03 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 59.75 2q0h s ILE 24 Cb -0.14 -1.85 -0.03 0.00 0.01 0.00 0.00 42.46 40.45 2q0h s ILE 24 CO -0.06 0.55 0.41 0.00 0.00 0.00 0.00 174.94 175.83 2q0h s ARG 25 N 0.90 3.46 -0.15 2.79 1.70 -1.26 -0.25 118.95 126.14 2q0h s ARG 25 Ca -0.05 -0.57 -0.40 0.00 -0.47 0.00 0.00 55.73 54.25 2q0h s ARG 25 Cb -0.15 -2.82 -0.17 0.00 -0.57 0.00 0.00 34.95 31.23 2q0h s ARG 25 CO -0.04 0.35 1.51 -1.91 -1.08 0.00 0.00 175.30 174.13 2q0h n GLU 26 N -1.34 0.87 -0.00 3.89 0.00 -1.26 -1.23 120.64 121.56 2q0h n GLU 26 Ca -0.07 0.32 0.00 0.00 0.00 0.00 0.00 57.16 57.41 2q0h n GLU 26 Cb 0.56 -1.94 0.00 0.00 0.00 0.00 0.00 31.44 30.06 2q0h n GLU 26 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2q0h n GLY 27 N 3.27 0.25 3.78 8.31 0.00 -1.26 -5.01 105.19 114.53 2q0h n GLY 27 Ca 0.23 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 2q0h n GLY 27 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2q0h s GLU 28 N -0.92 4.53 -0.34 1.61 2.02 -0.36 -4.69 118.70 120.53 2q0h s GLU 28 Ca 0.00 1.33 0.03 0.00 0.02 0.00 0.00 54.97 56.35 2q0h s GLU 28 Cb 0.00 -2.74 0.10 0.00 0.10 0.00 0.00 34.13 31.59 2q0h s GLU 28 CO 0.00 0.22 0.06 0.08 0.02 0.00 0.00 175.26 175.64 2q0h s VAL 29 N -1.66 2.40 -0.23 2.63 1.01 -1.26 -0.47 120.40 122.82 2q0h s VAL 29 Ca 0.52 -2.26 -0.08 0.00 0.00 0.00 0.00 61.98 60.15 2q0h s VAL 29 Cb -0.18 -2.73 -0.03 0.00 0.00 0.00 0.00 36.38 33.43 2q0h s VAL 29 CO 0.23 -0.57 0.08 -0.69 0.00 0.00 0.00 175.10 174.15 2q0h s VAL 30 N 0.94 4.57 -0.10 2.92 1.01 -0.18 -0.61 120.40 128.95 2q0h s VAL 30 Ca 0.09 -0.09 -0.14 0.00 0.00 0.00 0.00 61.98 61.85 2q0h s VAL 30 Cb -0.20 -3.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.02 2q0h s VAL 30 CO -0.07 0.36 0.33 -0.69 0.00 0.00 0.00 175.10 175.03 2q0h s VAL 31 N 1.28 5.23 -0.23 2.92 1.01 -0.52 -0.69 120.40 129.39 2q0h s VAL 31 Ca 0.05 0.65 -0.01 0.00 0.00 0.00 0.00 61.98 62.67 2q0h s VAL 31 Cb -0.15 -3.65 0.02 0.00 0.00 0.00 0.00 36.38 32.61 2q0h s VAL 31 CO 0.04 0.47 -0.09 -0.69 0.00 0.00 0.00 175.10 174.83 2q0h s VAL 32 N -0.19 2.69 0.33 2.92 1.01 0.48 -0.29 120.40 127.35 2q0h s VAL 32 Ca 0.20 -1.00 0.10 0.00 0.00 0.00 0.00 61.98 61.28 2q0h s VAL 32 Cb -0.14 -2.32 -0.06 0.00 0.00 0.00 0.00 36.38 33.86 2q0h s VAL 32 CO 0.08 0.28 -0.09 0.27 0.00 0.00 0.00 175.10 175.64 2q0h s ILE 33 N 1.32 2.39 0.00 2.22 -4.36 -0.25 -2.64 121.20 119.89 2q0h s ILE 33 Ca 0.01 -2.18 0.00 0.00 -0.26 0.00 0.00 60.65 58.22 2q0h s ILE 33 Cb -0.16 -2.62 0.00 0.00 1.25 0.00 0.00 42.46 40.93 2q0h s ILE 33 CO -0.06 -0.24 0.00 0.61 0.24 0.00 0.00 174.94 175.49 2q0h n GLY 34 N -0.80 3.58 3.69 6.27 0.00 -1.26 -0.62 105.19 116.04 2q0h n GLY 34 Ca -0.05 -1.06 -0.31 0.00 0.00 0.00 0.00 46.02 44.60 2q0h n GLY 34 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2q0h s PRO 35 N -2.33 1.24 0.43 1.61 0.04 -1.25 -4.95 135.00 129.80 2q0h s PRO 35 Ca 0.00 1.39 -0.25 0.00 0.04 0.00 0.00 61.00 62.18 2q0h s PRO 35 Cb 0.00 -1.76 -0.08 0.00 0.04 0.00 0.00 34.50 32.70 2q0h s PRO 35 CO 0.00 -2.42 1.26 -1.54 0.04 0.00 0.00 177.00 174.34 2q0h s SER 36 N -2.88 6.17 -0.16 6.66 1.04 -1.26 -3.52 113.70 119.75 2q0h s SER 36 Ca 0.65 2.55 -0.00 0.00 0.48 0.00 0.00 55.95 59.63 2q0h s SER 36 Cb -0.21 -2.63 -0.00 0.00 0.10 0.00 0.00 66.02 63.28 2q0h s SER 36 CO 0.58 -0.94 0.13 0.61 0.98 0.00 0.00 173.24 174.60 2q0h n GLY 37 N 0.62 0.36 0.00 7.32 0.00 -1.26 -4.96 105.19 107.27 2q0h n GLY 37 Ca 0.05 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.69 2q0h n GLY 37 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2q0h n SER 38 N -1.32 0.30 0.00 1.61 7.64 -1.23 -4.33 113.62 116.28 2q0h n SER 38 Ca -0.04 -0.68 0.00 0.00 1.01 0.00 0.00 58.87 59.16 2q0h n SER 38 Cb 0.52 0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.95 2q0h n SER 38 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2q0h n GLY 39 N 0.23 0.81 0.21 0.23 0.00 -1.26 -1.99 105.19 103.42 2q0h n GLY 39 Ca 0.00 -0.11 -0.15 0.00 0.00 0.00 0.00 46.02 45.77 2q0h n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2q0h h LYS 40 N 2.14 -0.43 -0.32 1.61 1.57 -1.95 -0.88 116.57 118.32 2q0h h LYS 40 Ca 0.00 0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 2q0h h LYS 40 Cb 0.00 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 2q0h h LYS 40 CO 0.00 -0.28 0.13 0.77 -0.57 0.00 0.00 179.45 179.49 2q0h h SER 41 N -0.44 0.44 -0.64 0.86 0.02 -2.00 -2.36 113.55 109.43 2q0h h SER 41 Ca -0.04 -0.17 0.10 0.00 -0.84 0.00 0.00 61.79 60.85 2q0h h SER 41 Cb 0.35 -0.11 -0.08 0.00 0.14 0.00 0.00 62.40 62.70 2q0h h SER 41 CO 0.06 0.49 0.24 0.74 -1.14 0.00 0.00 176.83 177.21 2q0h h THR 42 N 0.37 0.74 -0.40 -2.27 2.02 -1.96 -0.78 112.91 110.63 2q0h h THR 42 Ca 0.11 -0.14 0.04 0.00 0.77 0.00 0.00 66.41 67.19 2q0h h THR 42 Cb 0.19 0.29 -0.04 0.00 -1.74 0.00 0.00 68.15 66.84 2q0h h THR 42 CO -0.01 0.08 0.15 0.15 0.37 0.00 0.00 175.52 176.26 2q0h h PHE 43 N 0.41 0.28 -0.59 3.16 3.57 -0.86 -1.56 116.94 121.36 2q0h h PHE 43 Ca 0.33 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.82 2q0h h PHE 43 Cb 0.43 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 2q0h h PHE 43 CO -0.17 0.12 0.25 -0.07 -2.23 0.00 0.00 178.31 176.21 2q0h h LEU 44 N 0.33 0.79 -1.81 0.59 3.38 -0.75 -2.38 115.31 115.46 2q0h h LEU 44 Ca 0.18 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2q0h h LEU 44 Cb 0.14 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 2q0h h LEU 44 CO -0.17 0.73 -0.06 0.03 0.09 0.00 0.00 178.44 179.06 2q0h h ARG 45 N 0.81 0.04 -0.17 1.13 3.08 -0.79 -1.30 114.38 117.18 2q0h h ARG 45 Ca 0.20 -0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.19 2q0h h ARG 45 Cb 0.17 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.21 2q0h h ARG 45 CO -0.02 0.11 -0.09 0.00 -1.07 0.00 0.00 179.97 178.89 2q0h h LEU 47 N 0.03 0.00 -3.67 0.00 3.38 -1.01 -2.29 115.31 111.76 2q0h h LEU 47 Ca 0.04 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.84 2q0h h LEU 47 Cb 0.58 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.23 2q0h h LEU 47 CO 0.03 0.11 0.20 -3.20 0.09 0.00 0.00 178.44 175.67 2q0h n ASN 48 N -3.98 4.85 0.00 -0.43 4.05 -0.55 -4.91 115.26 114.29 2q0h n ASN 48 Ca -0.02 -3.19 0.00 0.00 0.45 0.00 0.00 54.58 51.82 2q0h n ASN 48 Cb 0.20 -0.72 0.00 0.00 1.23 0.00 0.00 39.78 40.48 2q0h n ASN 48 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 2q0h n LEU 49 N -0.10 0.74 0.26 1.20 4.77 -0.86 -4.76 117.00 118.26 2q0h n LEU 49 Ca 0.38 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.50 2q0h n LEU 49 Cb 1.32 -1.80 0.60 0.00 -2.33 0.00 0.00 43.42 41.22 2q0h n LEU 49 CO 0.40 -0.66 0.92 -0.07 -1.33 0.00 0.00 177.39 176.65 2q0h h LEU 50 N 0.00 0.00 -8.02 2.23 3.38 -0.66 -3.45 115.31 108.79 2q0h h LEU 50 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2q0h h LEU 50 Cb 0.58 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.19 2q0h h LEU 50 CO 0.00 0.09 -0.50 -0.70 0.09 0.00 0.00 178.44 177.42 2q0h s GLU 51 N -3.69 0.78 0.02 1.13 2.12 -0.78 -4.96 118.70 113.32 2q0h s GLU 51 Ca 0.01 -1.10 -0.04 0.00 0.36 0.00 0.00 54.97 54.20 2q0h s GLU 51 Cb 0.10 0.29 -0.04 0.00 0.26 0.00 0.00 34.13 34.73 2q0h s GLU 51 CO 0.58 -0.21 0.24 0.34 -0.54 0.00 0.00 175.26 175.67 2q0h s ASP 52 N -2.90 6.43 0.07 -1.70 -1.08 -1.26 -4.43 116.67 111.80 2q0h s ASP 52 Ca 0.07 0.45 0.07 0.00 -0.52 0.00 0.00 52.55 52.63 2q0h s ASP 52 Cb 0.06 -2.04 -0.04 0.00 -1.46 0.00 0.00 42.92 39.44 2q0h s ASP 52 CO -0.09 0.23 -0.17 0.72 0.52 0.00 0.00 175.17 176.38 2q0h s PHE 53 N -1.37 2.58 -0.02 -5.34 -0.12 -1.26 -4.90 117.98 107.56 2q0h s PHE 53 Ca 0.30 -0.24 -0.03 0.00 -0.05 0.00 0.00 56.93 56.91 2q0h s PHE 53 Cb -0.13 -1.43 -0.02 0.00 -0.63 0.00 0.00 43.02 40.81 2q0h s PHE 53 CO 0.19 0.31 0.29 -0.44 -0.05 0.00 0.00 175.22 175.52 2q0h h ASP 54 N 4.23 -0.09 -3.86 1.98 3.32 -1.66 -3.49 116.42 116.84 2q0h h ASP 54 Ca -0.48 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.49 2q0h h ASP 54 Cb 1.16 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 2q0h h ASP 54 CO 0.48 0.06 -0.04 -0.62 -1.72 0.00 0.00 179.24 177.40 2q0h n GLU 55 N -2.99 1.36 -1.06 3.56 1.02 -1.08 -4.98 120.64 116.46 2q0h n GLU 55 Ca -0.01 -0.48 0.14 0.00 -0.02 0.00 0.00 57.16 56.79 2q0h n GLU 55 Cb 0.04 0.05 -0.04 0.00 -0.02 0.00 0.00 31.44 31.47 2q0h n GLU 55 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2q0h n GLY 56 N 4.07 -1.95 3.31 0.62 0.00 -1.13 -3.47 105.19 106.65 2q0h n GLY 56 Ca -0.00 -1.23 -0.16 0.00 0.00 0.00 0.00 46.02 44.62 2q0h n GLY 56 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2q0h s GLU 57 N -1.85 1.28 -0.09 1.61 -1.05 -0.96 -4.93 118.70 112.72 2q0h s GLU 57 Ca 0.00 -1.63 -0.05 0.00 -0.15 0.00 0.00 54.97 53.14 2q0h s GLU 57 Cb 0.00 -0.62 0.04 0.00 -0.44 0.00 0.00 34.13 33.10 2q0h s GLU 57 CO 0.00 -0.06 0.21 0.42 0.95 0.00 0.00 175.26 176.78 2q0h s ILE 58 N -3.39 -0.03 -0.17 1.83 1.01 -1.26 -2.40 121.20 116.79 2q0h s ILE 58 Ca 0.26 0.12 -0.02 0.00 0.00 0.00 0.00 60.65 61.00 2q0h s ILE 58 Cb 0.05 -0.32 0.05 0.00 0.01 0.00 0.00 42.46 42.25 2q0h s ILE 58 CO 0.07 0.05 0.01 -0.63 0.00 0.00 0.00 174.94 174.44 2q0h s ILE 59 N 0.92 0.60 -0.46 2.92 1.09 -0.51 -1.01 121.20 124.76 2q0h s ILE 59 Ca -0.07 -0.44 -0.16 0.00 -1.10 0.00 0.00 60.65 58.88 2q0h s ILE 59 Cb -0.08 -0.98 0.06 0.00 -1.06 0.00 0.00 42.46 40.39 2q0h s ILE 59 CO -0.06 -0.06 0.39 -0.63 -0.10 0.00 0.00 174.94 174.49 2q0h s ILE 60 N 1.84 5.21 -0.82 2.92 -1.09 0.12 -2.17 121.20 127.21 2q0h s ILE 60 Ca 0.00 -0.92 -0.02 0.00 -2.23 0.00 0.00 60.65 57.48 2q0h s ILE 60 Cb -0.16 -4.10 -0.00 0.00 -1.58 0.00 0.00 42.46 36.62 2q0h s ILE 60 CO -0.07 -0.54 0.68 -0.67 -1.23 0.00 0.00 174.94 173.12 2q0h n ASP 61 N 5.28 -6.55 0.00 3.58 -0.08 0.06 -2.50 116.55 116.35 2q0h n ASP 61 Ca -0.12 -0.48 0.00 0.00 -1.51 0.00 0.00 54.79 52.68 2q0h n ASP 61 Cb 0.45 -3.92 0.00 0.00 2.34 0.00 0.00 41.12 39.99 2q0h n ASP 61 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2q0h n GLY 62 N -1.70 1.12 3.70 0.27 0.00 -1.26 -4.93 105.19 102.38 2q0h n GLY 62 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 2q0h n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2q0h s ILE 63 N 0.00 2.78 -0.61 -0.61 1.01 -1.04 -4.94 121.20 117.79 2q0h s ILE 63 Ca 0.00 0.35 -0.21 0.00 0.00 0.00 0.00 60.65 60.79 2q0h s ILE 63 Cb 0.00 -3.23 0.08 0.00 0.01 0.00 0.00 42.46 39.33 2q0h s ILE 63 CO 0.00 0.01 0.82 0.21 0.00 0.00 0.00 174.94 175.98 2q0h s ASN 64 N 2.15 6.19 0.27 3.58 3.84 -1.26 0.11 114.94 129.81 2q0h s ASN 64 Ca 0.75 -1.15 0.22 0.00 0.21 0.00 0.00 52.86 52.89 2q0h s ASN 64 Cb -0.43 -2.36 0.89 0.00 -0.55 0.00 0.00 41.25 38.81 2q0h s ASN 64 CO 0.33 -1.24 0.89 0.18 -2.79 0.00 0.00 177.10 174.46 2q0h n LEU 65 N 6.97 0.08 -2.26 3.21 4.77 -0.18 -0.23 117.00 129.37 2q0h n LEU 65 Ca -0.06 0.72 -0.26 0.00 -0.03 0.00 0.00 56.01 56.38 2q0h n LEU 65 Cb 0.44 -0.36 0.01 0.00 -2.33 0.00 0.00 43.42 41.19 2q0h n LEU 65 CO 0.61 -0.77 0.28 2.29 -1.33 0.00 0.00 177.39 178.46 2q0h n LYS 66 N -3.60 3.48 -3.47 3.23 2.85 -1.26 -4.90 118.16 114.49 2q0h n LYS 66 Ca 0.24 -4.26 -0.39 0.00 -1.05 0.00 0.00 58.31 52.85 2q0h n LYS 66 Cb 0.97 -2.27 -0.10 0.00 -0.65 0.00 0.00 35.03 32.98 2q0h n LYS 66 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2q0h s ALA 67 N -3.60 3.54 0.00 0.58 0.00 0.68 -5.04 121.76 117.92 2q0h s ALA 67 Ca 0.50 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.45 2q0h s ALA 67 Cb 0.41 -2.64 0.00 0.00 0.00 0.00 0.00 23.12 20.89 2q0h s ALA 67 CO -0.07 -0.71 0.00 1.63 0.00 0.00 0.00 175.76 176.61 2q0h n LYS 68 N 5.23 0.00 -0.99 0.00 4.01 -1.26 -2.46 118.16 122.69 2q0h n LYS 68 Ca -0.11 0.00 -0.40 0.00 -0.51 0.00 0.00 58.31 57.29 2q0h n LYS 68 Cb 0.51 0.00 -0.06 0.00 -0.51 0.00 0.00 35.03 34.97 2q0h n LYS 68 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2q0h n ASP 69 N 0.00 2.51 -0.28 4.39 -0.08 -1.26 -4.86 116.55 116.97 2q0h n ASP 69 Ca 0.00 -2.60 -0.03 0.00 -1.51 0.00 0.00 54.79 50.65 2q0h n ASP 69 Cb 0.00 -1.01 -0.00 0.00 2.34 0.00 0.00 41.12 42.44 2q0h n ASP 69 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 2q0h n THR 70 N 5.91 0.10 -1.94 5.18 -1.04 -1.03 -4.92 114.28 116.54 2q0h n THR 70 Ca 0.47 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.46 2q0h n THR 70 Cb 0.37 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.88 2q0h n THR 70 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 2q0h n ASN 71 N 0.12 0.04 -4.30 8.00 4.13 -1.26 -4.99 115.26 116.99 2q0h n ASN 71 Ca 0.01 -1.98 -0.45 0.00 1.68 0.00 0.00 54.58 53.85 2q0h n ASN 71 Cb 0.01 -0.20 0.00 0.00 -1.54 0.00 0.00 39.78 38.06 2q0h n ASN 71 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2q0h n LEU 72 N -0.02 5.64 0.00 3.41 -0.00 -1.26 -3.43 117.00 121.33 2q0h n LEU 72 Ca 0.00 -5.02 0.00 0.00 -0.00 0.00 0.00 56.01 50.99 2q0h n LEU 72 Cb 0.69 -1.46 0.00 0.00 -0.00 0.00 0.00 43.42 42.65 2q0h n LEU 72 CO 0.00 1.35 0.00 0.59 -0.00 0.00 0.00 177.39 179.33 2q0h n ASN 73 N 2.70 0.00 -0.00 1.45 3.02 -1.26 -4.75 115.26 116.43 2q0h n ASN 73 Ca 0.25 -0.02 0.03 0.00 -0.03 0.00 0.00 54.58 54.81 2q0h n ASN 73 Cb 0.38 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.52 2q0h n ASN 73 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2q0h n LYS 74 N 0.00 4.70 -0.05 3.52 5.02 -1.22 -4.09 118.16 126.03 2q0h n LYS 74 Ca 0.00 -0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.08 2q0h n LYS 74 Cb 0.01 -0.80 -0.13 0.00 -0.02 0.00 0.00 35.03 34.09 2q0h n LYS 74 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2q0h h VAL 75 N 0.00 1.11 -0.94 -0.18 2.07 -1.86 -3.20 116.25 113.26 2q0h h VAL 75 Ca 0.00 -2.30 0.19 0.00 0.82 0.00 0.00 66.70 65.41 2q0h h VAL 75 Cb 0.15 2.64 -0.11 0.00 -1.52 0.00 0.00 31.29 32.45 2q0h h VAL 75 CO 0.00 0.54 0.52 -0.09 0.02 0.00 0.00 177.57 178.55 2q0h h ARG 76 N -0.70 0.61 0.00 1.57 2.43 -1.87 0.65 114.38 117.08 2q0h h ARG 76 Ca -0.27 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 2q0h h ARG 76 Cb 1.45 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.86 2q0h h ARG 76 CO -0.06 0.41 0.00 0.93 -1.51 0.00 0.00 179.97 179.74 2q0h h GLU 77 N 0.63 0.00 0.00 0.20 5.08 -1.71 -3.14 114.58 115.64 2q0h h GLU 77 Ca 0.55 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.74 2q0h h GLU 77 Cb 0.89 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.11 2q0h h GLU 77 CO -0.41 0.00 -1.77 0.39 -1.00 0.00 0.00 179.01 176.21 2q0h n GLU 78 N -2.58 0.65 -3.55 2.33 1.02 0.13 -4.24 120.64 114.40 2q0h n GLU 78 Ca 0.04 0.06 -0.41 0.00 -0.02 0.00 0.00 57.16 56.83 2q0h n GLU 78 Cb 0.40 -1.67 -0.11 0.00 -0.02 0.00 0.00 31.44 30.05 2q0h n GLU 78 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2q0h s VAL 79 N -2.98 5.08 0.02 2.62 1.01 0.18 0.28 120.40 126.61 2q0h s VAL 79 Ca -0.06 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.53 2q0h s VAL 79 Cb 0.09 -3.67 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 2q0h s VAL 79 CO 0.84 -0.08 0.07 -0.83 0.00 0.00 0.00 175.10 175.10 2q0h s GLY 80 N 1.68 1.99 -0.03 4.51 0.00 0.34 -4.79 107.32 111.02 2q0h s GLY 80 Ca 0.05 -0.93 -0.03 0.00 0.00 0.00 0.00 44.72 43.81 2q0h s GLY 80 CO 0.09 -0.84 0.09 -0.29 0.00 0.00 0.00 173.10 172.15 2q0h s MET 81 N -1.92 0.16 -0.07 2.90 1.75 -1.26 0.04 119.30 120.91 2q0h s MET 81 Ca 0.24 0.01 0.05 0.00 -1.25 0.00 0.00 55.69 54.74 2q0h s MET 81 Cb -0.12 0.07 -0.01 0.00 2.84 0.00 0.00 34.83 37.62 2q0h s MET 81 CO 0.16 -0.03 -0.24 0.08 -0.65 0.00 0.00 175.02 174.34 2q0h s VAL 82 N -0.23 1.98 0.56 10.11 1.01 -0.07 -4.87 120.40 128.89 2q0h s VAL 82 Ca -0.03 -1.01 0.09 0.00 0.00 0.00 0.00 61.98 61.04 2q0h s VAL 82 Cb -0.02 -1.69 0.08 0.00 0.00 0.00 0.00 36.38 34.75 2q0h s VAL 82 CO 0.00 0.55 0.75 -0.36 0.00 0.00 0.00 175.10 176.04 2q0h s PHE 83 N 0.03 1.50 0.08 5.22 0.08 -1.26 -1.28 117.98 122.35 2q0h s PHE 83 Ca -0.09 -0.71 -0.16 0.00 0.12 0.00 0.00 56.93 56.08 2q0h s PHE 83 Cb -0.15 -2.20 -0.12 0.00 -0.57 0.00 0.00 43.02 39.98 2q0h s PHE 83 CO 0.05 -1.07 1.36 0.37 -0.10 0.00 0.00 175.22 175.83 2q0h h GLN 84 N 0.24 0.60 -4.84 0.44 4.15 -1.63 -3.40 115.11 110.67 2q0h h GLN 84 Ca -0.31 -0.36 -0.41 0.00 0.77 0.00 0.00 58.65 58.34 2q0h h GLN 84 Cb 1.29 0.03 -0.14 0.00 0.21 0.00 0.00 27.48 28.87 2q0h h GLN 84 CO 0.42 0.97 -0.54 1.03 -1.93 0.00 0.00 178.83 178.78 2q0h s ARG 85 N -4.17 1.60 -1.39 1.69 0.52 -1.26 -4.73 118.95 111.21 2q0h s ARG 85 Ca -0.13 -1.91 -0.09 0.00 -0.52 0.00 0.00 55.73 53.08 2q0h s ARG 85 Cb 0.07 0.12 0.03 0.00 0.52 0.00 0.00 34.95 35.69 2q0h s ARG 85 CO 0.82 -0.52 1.13 1.19 0.02 0.00 0.00 175.30 177.93 2q0h n PHE 86 N -0.55 -2.71 0.27 -0.53 3.72 -1.26 -4.94 117.46 111.46 2q0h n PHE 86 Ca 0.03 0.99 0.12 0.00 -0.05 0.00 0.00 57.45 58.54 2q0h n PHE 86 Cb 0.64 -4.80 0.15 0.00 -0.94 0.00 0.00 39.48 34.53 2q0h n PHE 86 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 176.76 175.80 2q0h h ASN 87 N -2.52 0.00 -3.18 4.37 -0.26 -1.92 -3.48 115.58 108.59 2q0h h ASN 87 Ca -0.57 -0.02 -0.57 0.00 -0.56 0.00 0.00 56.30 54.57 2q0h h ASN 87 Cb 1.37 0.00 -0.17 0.00 -1.06 0.00 0.00 38.32 38.46 2q0h h ASN 87 CO 0.58 0.01 -0.79 -0.76 -1.06 0.00 0.00 177.43 175.42 2q0h s LEU 88 N -5.56 2.47 -0.22 1.61 1.43 -1.26 -4.90 118.68 112.25 2q0h s LEU 88 Ca 0.05 -0.91 -0.23 0.00 -1.03 0.00 0.00 54.13 52.01 2q0h s LEU 88 Cb 0.08 -0.97 -0.01 0.00 0.03 0.00 0.00 46.19 45.32 2q0h s LEU 88 CO 0.70 0.02 0.77 -0.36 0.23 0.00 0.00 176.35 177.70 2q0h s PHE 89 N -2.09 3.34 -0.47 0.29 0.08 -1.26 -4.93 117.98 112.94 2q0h s PHE 89 Ca 0.20 1.08 0.26 0.00 0.12 0.00 0.00 56.93 58.59 2q0h s PHE 89 Cb -0.06 -2.97 0.72 0.00 -0.57 0.00 0.00 43.02 40.14 2q0h s PHE 89 CO 0.09 -0.32 1.73 -1.00 -0.10 0.00 0.00 175.22 175.63 2q0h h PRO 90 N 7.60 0.00 -0.07 0.24 0.13 -1.98 -3.21 132.00 134.71 2q0h h PRO 90 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2q0h h PRO 90 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 2q0h h PRO 90 CO 0.83 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.21 2q0h n HIS 91 N -2.71 0.10 -3.95 1.56 1.44 -1.26 -4.59 115.22 105.80 2q0h n HIS 91 Ca 0.04 -0.05 -0.09 0.00 -2.01 0.00 0.00 57.72 55.61 2q0h n HIS 91 Cb 0.43 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.46 2q0h n HIS 91 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2q0h s MET 92 N -1.90 0.88 1.01 -1.40 0.23 -1.21 -5.16 119.30 111.75 2q0h s MET 92 Ca 0.21 -1.10 -0.12 0.00 -1.03 0.00 0.00 55.69 53.65 2q0h s MET 92 Cb 0.10 0.32 0.19 0.00 -1.53 0.00 0.00 34.83 33.91 2q0h s MET 92 CO 0.16 -0.27 1.08 0.95 -2.03 0.00 0.00 175.02 174.91 2q0h s THR 93 N -3.91 2.22 0.08 3.16 -4.23 -1.26 -4.35 115.64 107.34 2q0h s THR 93 Ca 0.10 0.07 -0.36 0.00 -1.18 0.00 0.00 61.69 60.32 2q0h s THR 93 Cb 0.05 -2.42 -0.18 0.00 1.34 0.00 0.00 72.50 71.29 2q0h s THR 93 CO -0.07 -0.09 1.57 0.58 -0.54 0.00 0.00 174.62 176.07 2q0h h VAL 94 N -1.99 0.05 -0.85 2.29 2.07 -1.22 -1.40 116.25 115.19 2q0h h VAL 94 Ca -0.54 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.15 2q0h h VAL 94 Cb 1.31 0.05 -0.10 0.00 -1.52 0.00 0.00 31.29 31.02 2q0h h VAL 94 CO 0.54 0.00 0.40 0.25 0.02 0.00 0.00 177.57 178.78 2q0h h LEU 95 N -1.07 0.42 -1.18 2.57 5.85 -1.31 0.08 115.31 120.66 2q0h h LEU 95 Ca -0.08 0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 2q0h h LEU 95 Cb 0.90 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.98 2q0h h LEU 95 CO 0.02 0.12 -0.27 0.78 -0.34 0.00 0.00 178.44 178.76 2q0h h ASN 96 N 0.52 0.00 -0.22 1.25 -0.26 -1.75 -2.59 115.58 112.53 2q0h h ASN 96 Ca 0.49 0.00 -0.05 0.00 -0.56 0.00 0.00 56.30 56.18 2q0h h ASN 96 Cb 0.79 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.05 2q0h h ASN 96 CO -0.43 0.27 -0.05 0.78 -1.06 0.00 0.00 177.43 176.94 2q0h h ASN 97 N 0.00 0.42 -0.21 5.81 4.21 0.14 -2.65 115.58 123.30 2q0h h ASN 97 Ca -0.00 -0.36 -0.10 0.00 1.21 0.00 0.00 56.30 57.05 2q0h h ASN 97 Cb 0.73 -0.12 -0.02 0.00 -1.12 0.00 0.00 38.32 37.80 2q0h h ASN 97 CO 0.03 0.69 -0.20 0.40 -1.29 0.00 0.00 177.43 177.06 2q0h h ILE 98 N 0.15 1.26 0.00 2.81 2.04 -1.32 -3.22 117.51 119.24 2q0h h ILE 98 Ca 0.06 -1.25 0.00 0.00 1.00 0.00 0.00 64.86 64.67 2q0h h ILE 98 Cb 0.50 1.21 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 2q0h h ILE 98 CO 0.02 0.41 -0.43 0.35 0.00 0.00 0.00 178.15 178.50 2q0h n THR 99 N -4.13 0.02 -0.11 -0.27 -2.24 -0.99 -4.43 114.28 102.13 2q0h n THR 99 Ca 0.00 -0.01 -0.05 0.00 -2.27 0.00 0.00 64.05 61.72 2q0h n THR 99 Cb 0.40 0.12 0.01 0.00 -2.10 0.00 0.00 70.33 68.76 2q0h n THR 99 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2q0h h LEU 100 N 0.00 -0.34 0.00 3.22 5.85 -1.48 -2.54 115.31 120.03 2q0h h LEU 100 Ca 0.00 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 2q0h h LEU 100 Cb 0.51 0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.77 2q0h h LEU 100 CO 0.00 -0.12 -0.08 0.00 -0.34 0.00 0.00 178.44 177.90 2q0h h ALA 101 N 1.37 0.01 -0.46 1.25 0.00 -1.80 -2.46 119.26 117.17 2q0h h ALA 101 Ca 0.18 -0.43 0.09 0.00 0.00 0.00 0.00 54.91 54.75 2q0h h ALA 101 Cb 0.28 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 17.98 2q0h h ALA 101 CO -0.38 -0.04 -0.13 -1.35 0.00 0.00 0.00 179.25 177.35 2q0h h PRO 102 N -0.74 -0.02 -0.02 0.00 0.11 -1.79 0.82 132.00 130.36 2q0h h PRO 102 Ca -0.01 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 2q0h h PRO 102 Cb 0.89 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.00 2q0h h PRO 102 CO 0.02 -0.02 0.01 0.52 -0.21 0.00 0.00 178.00 178.32 2q0h h MET 103 N -0.02 0.03 0.59 1.05 2.86 -1.58 0.83 114.93 118.68 2q0h h MET 103 Ca 0.22 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.83 2q0h h MET 103 Cb 0.36 -0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.02 2q0h h MET 103 CO -0.49 0.16 -0.28 -0.22 1.06 0.00 0.00 176.91 177.14 2q0h h LYS 104 N -0.11 -0.76 -0.27 1.72 1.63 -0.91 -1.69 116.57 116.16 2q0h h LYS 104 Ca 0.01 0.05 -0.14 0.00 -0.85 0.00 0.00 60.65 59.72 2q0h h LYS 104 Cb 0.15 0.17 -0.00 0.00 -0.60 0.00 0.00 32.23 31.95 2q0h h LYS 104 CO -0.00 -0.51 -0.38 0.28 -3.45 0.00 0.00 179.45 175.39 2q0h h VAL 105 N -1.13 1.30 -0.35 2.00 2.07 0.53 -3.33 116.25 117.34 2q0h h VAL 105 Ca -0.08 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 65.87 2q0h h VAL 105 Cb 0.61 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 2q0h h VAL 105 CO 0.13 0.50 0.00 0.54 0.02 0.00 0.00 177.57 178.76 2q0h n ARG 106 N -4.19 2.29 -1.90 1.57 1.74 0.24 -4.98 116.66 111.43 2q0h n ARG 106 Ca -0.04 -2.05 -0.20 0.00 -0.77 0.00 0.00 57.85 54.79 2q0h n ARG 106 Cb 0.53 -1.38 -0.06 0.00 -1.02 0.00 0.00 32.46 30.53 2q0h n ARG 106 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2q0h n LYS 107 N 1.03 -1.48 -1.92 5.56 4.76 -0.64 -4.92 118.16 120.55 2q0h n LYS 107 Ca 0.15 1.12 -0.40 0.00 -2.87 0.00 0.00 58.31 56.31 2q0h n LYS 107 Cb 0.49 -5.58 0.00 0.00 -1.84 0.00 0.00 35.03 28.10 2q0h n LYS 107 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 2q0h s TRP 108 N -2.85 2.66 0.16 2.13 0.52 -1.11 -4.94 118.94 115.50 2q0h s TRP 108 Ca 0.00 1.31 -0.30 0.00 0.02 0.00 0.00 56.10 57.13 2q0h s TRP 108 Cb 0.00 -3.83 -0.07 0.00 -1.15 0.00 0.00 33.47 28.42 2q0h s TRP 108 CO 0.00 -2.56 1.12 -2.14 0.02 0.00 0.00 176.95 173.39 2q0h s PRO 109 N -2.26 4.56 0.24 4.98 0.02 -1.26 -4.45 135.00 136.83 2q0h s PRO 109 Ca 0.57 1.72 0.02 0.00 0.02 0.00 0.00 61.00 63.34 2q0h s PRO 109 Cb -0.42 -3.29 0.60 0.00 0.02 0.00 0.00 34.50 31.41 2q0h s PRO 109 CO 0.55 0.01 1.18 -2.13 -0.33 0.00 0.00 177.00 176.28 2q0h n ARG 110 N 2.64 -0.06 0.03 5.54 0.63 -1.26 0.62 116.66 124.80 2q0h n ARG 110 Ca 0.04 1.12 -0.12 0.00 -0.92 0.00 0.00 57.85 57.97 2q0h n ARG 110 Cb 0.46 -1.80 -0.07 0.00 0.45 0.00 0.00 32.46 31.51 2q0h n ARG 110 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 2q0h h GLU 111 N 0.00 0.01 0.72 -0.14 3.07 -1.99 -1.71 114.58 114.54 2q0h h GLU 111 Ca 0.47 -0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.29 2q0h h GLU 111 Cb 0.98 -0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.89 2q0h h GLU 111 CO -0.70 0.01 -0.34 -0.22 -1.40 0.00 0.00 179.01 176.35 2q0h h LYS 112 N 0.01 -0.93 -0.45 2.33 3.64 -0.19 -2.24 116.57 118.75 2q0h h LYS 112 Ca 0.01 0.06 0.09 0.00 -1.27 0.00 0.00 60.65 59.54 2q0h h LYS 112 Cb 0.00 0.21 -0.09 0.00 -0.41 0.00 0.00 32.23 31.94 2q0h h LYS 112 CO -0.01 -0.61 -0.20 0.00 -2.27 0.00 0.00 179.45 176.36 2q0h h ALA 113 N -0.70 0.13 0.00 5.00 0.00 -1.13 -0.51 119.26 122.05 2q0h h ALA 113 Ca -0.10 0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2q0h h ALA 113 Cb 0.74 0.50 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 2q0h h ALA 113 CO 0.16 -0.55 -0.15 0.93 0.00 0.00 0.00 179.25 179.64 2q0h h GLU 114 N -0.11 0.00 0.36 0.00 5.08 -1.31 -2.10 114.58 116.51 2q0h h GLU 114 Ca 0.21 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 2q0h h GLU 114 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2q0h h GLU 114 CO -0.52 0.15 -0.17 0.00 -1.00 0.00 0.00 179.01 177.46 2q0h h ALA 115 N 1.85 -0.49 -0.13 3.43 0.00 -0.47 -2.00 119.26 121.46 2q0h h ALA 115 Ca -0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 2q0h h ALA 115 Cb 0.47 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2q0h h ALA 115 CO 0.02 -0.58 -0.16 1.57 0.00 0.00 0.00 179.25 180.10 2q0h h LYS 116 N -0.89 0.20 -0.54 0.00 5.09 -1.40 -2.67 116.57 116.36 2q0h h LYS 116 Ca -0.05 -0.05 -0.02 0.00 0.09 0.00 0.00 60.65 60.62 2q0h h LYS 116 Cb 0.54 -0.03 -0.02 0.00 0.10 0.00 0.00 32.23 32.82 2q0h h LYS 116 CO 0.08 0.37 0.27 0.00 -2.09 0.00 0.00 179.45 178.08 2q0h h ALA 117 N 1.65 0.70 -0.64 0.07 0.00 -1.35 -0.88 119.26 118.81 2q0h h ALA 117 Ca 0.04 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2q0h h ALA 117 Cb 0.41 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2q0h h ALA 117 CO 0.03 0.26 0.19 0.52 0.00 0.00 0.00 179.25 180.24 2q0h h MET 118 N 0.73 0.98 -0.30 0.00 2.86 -1.03 -0.98 114.93 117.20 2q0h h MET 118 Ca 0.19 -0.20 -0.04 0.00 -2.06 0.00 0.00 59.70 57.59 2q0h h MET 118 Cb 0.11 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.61 2q0h h MET 118 CO -0.02 0.85 0.03 1.49 1.06 0.00 0.00 176.91 180.31 2q0h h GLU 119 N 0.95 0.51 -0.61 1.72 4.81 -1.23 -1.18 114.58 119.55 2q0h h GLU 119 Ca 0.21 -0.15 0.02 0.00 -0.13 0.00 0.00 59.36 59.31 2q0h h GLU 119 Cb 0.28 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 2q0h h GLU 119 CO -0.01 0.63 0.39 -0.07 -0.73 0.00 0.00 179.01 179.22 2q0h h LEU 120 N 0.31 0.66 -0.93 1.64 3.38 -0.87 0.40 115.31 119.91 2q0h h LEU 120 Ca 0.09 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.10 2q0h h LEU 120 Cb 0.38 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 2q0h h LEU 120 CO 0.01 0.47 0.59 -0.07 0.09 0.00 0.00 178.44 179.53 2q0h h LEU 121 N 0.78 0.95 -0.70 1.67 3.38 -1.01 0.10 115.31 120.50 2q0h h LEU 121 Ca 0.23 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 2q0h h LEU 121 Cb -0.04 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 2q0h h LEU 121 CO -0.07 0.62 0.27 -0.78 0.09 0.00 0.00 178.44 178.57 2q0h h ASP 122 N 1.10 0.97 -0.05 -0.43 3.58 0.09 0.39 116.42 122.08 2q0h h ASP 122 Ca 0.39 -0.18 0.01 0.00 0.42 0.00 0.00 57.03 57.68 2q0h h ASP 122 Cb 0.12 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 40.91 2q0h h ASP 122 CO -0.16 0.89 0.05 0.50 -2.88 0.00 0.00 179.24 177.64 2q0h h LYS 123 N 1.00 0.00 -0.41 0.28 3.64 0.22 -0.72 116.57 120.59 2q0h h LYS 123 Ca 0.23 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 2q0h h LYS 123 Cb 0.22 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2q0h h LYS 123 CO -0.02 0.00 0.00 1.33 -2.27 0.00 0.00 179.45 178.49 2q0h n VAL 124 N -3.88 1.35 -3.04 2.00 0.24 -0.56 -4.97 118.33 109.47 2q0h n VAL 124 Ca -0.02 -1.19 -0.13 0.00 -2.04 0.00 0.00 64.34 60.96 2q0h n VAL 124 Cb 0.14 0.31 0.04 0.00 -1.47 0.00 0.00 33.84 32.86 2q0h n VAL 124 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2q0h n GLY 125 N 0.51 0.13 2.48 7.63 0.00 -0.28 -4.99 105.19 110.68 2q0h n GLY 125 Ca 0.16 -0.19 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 2q0h n GLY 125 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2q0h n LEU 126 N -2.86 -0.83 0.06 0.99 4.77 0.13 -4.94 117.00 114.31 2q0h n LEU 126 Ca -0.00 -4.30 -0.00 0.00 -0.03 0.00 0.00 56.01 51.67 2q0h n LEU 126 Cb 0.54 0.82 -0.06 0.00 -2.33 0.00 0.00 43.42 42.38 2q0h n LEU 126 CO 0.34 2.16 -0.08 0.50 -1.33 0.00 0.00 177.39 178.98 2q0h h LYS 127 N 2.98 0.00 0.00 3.23 3.64 -1.87 -3.29 116.57 121.26 2q0h h LYS 127 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2q0h h LYS 127 Cb 1.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 2q0h h LYS 127 CO 0.30 0.41 0.00 -0.40 -2.27 0.00 0.00 179.45 177.49 2q0h n ASP 128 N -3.02 0.00 -0.87 4.20 5.75 -1.26 -2.68 116.55 118.67 2q0h n ASP 128 Ca -0.06 0.11 0.12 0.00 -0.01 0.00 0.00 54.79 54.95 2q0h n ASP 128 Cb 0.83 -0.36 0.26 0.00 -1.03 0.00 0.00 41.12 40.82 2q0h n ASP 128 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2q0h n LYS 129 N -1.36 2.17 -0.32 0.11 4.76 -1.24 -4.46 118.16 117.81 2q0h n LYS 129 Ca 0.11 -1.73 0.21 0.00 -2.87 0.00 0.00 58.31 54.03 2q0h n LYS 129 Cb 0.25 -1.47 0.48 0.00 -1.84 0.00 0.00 35.03 32.46 2q0h n LYS 129 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2q0h h ALA 130 N 4.46 2.15 -0.45 7.82 0.00 -1.68 -0.56 119.26 130.99 2q0h h ALA 130 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2q0h h ALA 130 Cb 0.81 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2q0h h ALA 130 CO 0.00 -0.55 0.00 0.72 0.00 0.00 0.00 179.25 179.42 2q0h n HIS 131 N -4.66 1.19 -3.00 0.00 8.25 -1.26 -0.96 115.22 114.77 2q0h n HIS 131 Ca 0.25 -0.70 -0.22 0.00 -0.26 0.00 0.00 57.72 56.79 2q0h n HIS 131 Cb 0.84 -0.26 0.01 0.00 1.12 0.00 0.00 29.99 31.69 2q0h n HIS 131 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2q0h s ALA 132 N -2.15 3.84 0.13 -1.41 0.00 -0.22 -4.86 121.76 117.09 2q0h s ALA 132 Ca 0.43 -1.15 0.02 0.00 0.00 0.00 0.00 51.96 51.27 2q0h s ALA 132 Cb 0.31 -2.07 -0.04 0.00 0.00 0.00 0.00 23.12 21.32 2q0h s ALA 132 CO 0.16 -0.38 0.24 0.71 0.00 0.00 0.00 175.76 176.49 2q0h s TYR 133 N -2.53 3.43 0.51 0.00 2.02 -1.26 -1.16 117.35 118.36 2q0h s TYR 133 Ca 0.49 0.13 0.21 0.00 -0.37 0.00 0.00 57.07 57.53 2q0h s TYR 133 Cb -0.10 -1.66 1.31 0.00 -0.40 0.00 0.00 41.96 41.11 2q0h s TYR 133 CO 0.37 0.53 2.04 -1.35 -1.57 0.00 0.00 175.55 175.57 2q0h h PRO 134 N 2.44 0.05 -0.21 -1.71 0.11 -1.81 -2.13 132.00 128.73 2q0h h PRO 134 Ca -0.48 -0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.69 2q0h h PRO 134 Cb 1.19 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 2q0h h PRO 134 CO 0.69 0.04 0.23 0.38 -0.21 0.00 0.00 178.00 179.13 2q0h h ASP 135 N 0.05 0.00 0.20 -2.05 3.04 -1.95 -2.33 116.42 113.38 2q0h h ASP 135 Ca 0.19 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.98 2q0h h ASP 135 Cb 0.67 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.96 2q0h h ASP 135 CO -0.01 0.00 -0.79 -1.54 -2.04 0.00 0.00 179.24 174.85 2q0h n SER 136 N -3.81 0.81 -4.91 4.15 3.41 -0.80 -4.98 113.62 107.49 2q0h n SER 136 Ca 0.02 -0.70 -0.28 0.00 -0.26 0.00 0.00 58.87 57.66 2q0h n SER 136 Cb 0.36 0.69 0.01 0.00 -0.26 0.00 0.00 64.21 65.01 2q0h n SER 136 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2q0h s LEU 137 N -3.00 3.50 0.51 1.04 1.43 -0.88 -5.06 118.68 116.22 2q0h s LEU 137 Ca 0.09 0.93 -0.03 0.00 -1.03 0.00 0.00 54.13 54.09 2q0h s LEU 137 Cb 0.17 -3.87 -0.00 0.00 0.03 0.00 0.00 46.19 42.52 2q0h s LEU 137 CO 0.80 -0.71 0.78 -0.94 0.23 0.00 0.00 176.35 176.50 2q0h s SER 138 N -4.16 5.78 0.15 2.29 1.04 -1.26 -4.82 113.70 112.73 2q0h s SER 138 Ca 0.50 0.53 -0.19 0.00 0.48 0.00 0.00 55.95 57.27 2q0h s SER 138 Cb -0.10 -1.69 0.04 0.00 0.10 0.00 0.00 66.02 64.37 2q0h s SER 138 CO 0.46 -0.83 1.68 1.23 0.98 0.00 0.00 173.24 176.75 2q0h h GLY 139 N 0.15 0.19 0.43 7.32 0.00 -1.98 0.38 103.07 109.55 2q0h h GLY 139 Ca -0.46 0.12 0.10 0.00 0.00 0.00 0.00 47.33 47.09 2q0h h GLY 139 CO 0.59 -0.13 0.35 -1.33 0.00 0.00 0.00 176.54 176.02 2q0h h GLY 140 N -0.03 1.08 0.63 4.60 0.00 -1.95 0.28 103.07 107.69 2q0h h GLY 140 Ca 0.15 -0.21 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 2q0h h GLY 140 CO -0.33 0.04 -0.07 1.46 0.00 0.00 0.00 176.54 177.64 2q0h h GLN 141 N 0.58 0.18 -0.91 4.80 4.20 -1.67 -2.13 115.11 120.16 2q0h h GLN 141 Ca 0.36 -0.09 0.11 0.00 0.06 0.00 0.00 58.65 59.08 2q0h h GLN 141 Cb 0.41 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 28.12 2q0h h GLN 141 CO -0.29 0.61 0.58 0.00 -0.67 0.00 0.00 178.83 179.06 2q0h h ALA 142 N 0.57 1.65 0.00 3.87 0.00 0.06 0.62 119.26 126.02 2q0h h ALA 142 Ca 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 2q0h h ALA 142 Cb 0.57 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2q0h h ALA 142 CO 0.02 0.15 -0.68 0.37 0.00 0.00 0.00 179.25 179.11 2q0h h GLN 143 N 0.88 0.00 -0.02 0.00 5.75 -0.89 -1.20 115.11 119.62 2q0h h GLN 143 Ca 0.43 0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 58.77 2q0h h GLN 143 Cb 0.46 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.00 2q0h h GLN 143 CO -0.19 0.68 -0.72 0.00 -2.65 0.00 0.00 178.83 175.95 2q0h h ARG 144 N 0.00 0.11 -0.08 1.69 3.08 -0.51 -2.54 114.38 116.14 2q0h h ARG 144 Ca -0.01 -0.10 -0.22 0.00 0.07 0.00 0.00 59.98 59.72 2q0h h ARG 144 Cb 1.42 0.02 0.01 0.00 0.08 0.00 0.00 29.97 31.50 2q0h h ARG 144 CO 0.09 0.78 -0.84 0.28 -1.07 0.00 0.00 179.97 179.21 2q0h h VAL 145 N 0.08 1.33 -0.94 2.04 2.07 -0.82 -1.88 116.25 118.13 2q0h h VAL 145 Ca -0.02 -2.16 0.02 0.00 0.82 0.00 0.00 66.70 65.36 2q0h h VAL 145 Cb 1.27 2.17 -0.05 0.00 -1.52 0.00 0.00 31.29 33.16 2q0h h VAL 145 CO 0.10 0.66 0.62 0.00 0.02 0.00 0.00 177.57 178.98 2q0h h ALA 146 N 0.68 1.35 -0.06 1.67 0.00 -1.13 0.16 119.26 121.93 2q0h h ALA 146 Ca -0.06 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2q0h h ALA 146 Cb 1.46 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2q0h h ALA 146 CO 0.16 0.58 0.00 0.82 0.00 0.00 0.00 179.25 180.81 2q0h h ILE 147 N 1.24 1.25 -0.89 0.00 2.04 -1.35 -2.13 117.51 117.67 2q0h h ILE 147 Ca 0.36 -0.77 0.09 0.00 1.00 0.00 0.00 64.86 65.54 2q0h h ILE 147 Cb -0.09 1.64 -0.06 0.00 -0.74 0.00 0.00 36.82 37.57 2q0h h ILE 147 CO -0.09 0.21 0.57 0.00 0.00 0.00 0.00 178.15 178.85 2q0h h ALA 148 N 0.72 1.62 0.33 1.87 0.00 -0.70 -1.03 119.26 122.08 2q0h h ALA 148 Ca 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 2q0h h ALA 148 Cb 0.33 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2q0h h ALA 148 CO 0.00 0.20 -0.16 -0.09 0.00 0.00 0.00 179.25 179.20 2q0h h ARG 149 N 0.90 -0.43 -0.42 0.00 2.43 -0.39 -1.64 114.38 114.83 2q0h h ARG 149 Ca 0.41 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.61 2q0h h ARG 149 Cb 0.38 0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 2q0h h ARG 149 CO -0.17 -0.26 0.27 0.00 -1.51 0.00 0.00 179.97 178.29 2q0h h ALA 150 N 0.18 1.69 0.00 2.80 0.00 -0.74 -1.40 119.26 121.79 2q0h h ALA 150 Ca -0.05 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2q0h h ALA 150 Cb 0.37 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2q0h h ALA 150 CO 0.07 0.28 0.00 -0.07 0.00 0.00 0.00 179.25 179.54 2q0h h LEU 151 N 0.57 0.00 -1.96 0.00 3.38 -0.96 -3.09 115.31 113.25 2q0h h LEU 151 Ca 0.15 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.16 2q0h h LEU 151 Cb -0.05 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2q0h h LEU 151 CO -0.03 0.00 0.12 0.00 0.09 0.00 0.00 178.44 178.62 2q0h h ALA 152 N 2.05 2.10 -0.06 1.53 0.00 -0.27 0.55 119.26 125.16 2q0h h ALA 152 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2q0h h ALA 152 Cb 0.67 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2q0h h ALA 152 CO 0.00 -0.14 0.00 -1.33 0.00 0.00 0.00 179.25 177.78 2q0h n MET 153 N -4.50 1.18 -3.84 0.00 2.81 -1.17 -4.84 117.12 106.77 2q0h n MET 153 Ca 0.01 -0.28 -0.35 0.00 -1.81 0.00 0.00 57.70 55.27 2q0h n MET 153 Cb 0.22 -1.22 0.02 0.00 -0.71 0.00 0.00 33.22 31.53 2q0h n MET 153 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2q0h n GLU 154 N -0.42 -0.87 -1.87 0.03 1.02 0.18 -4.83 120.64 113.88 2q0h n GLU 154 Ca 0.10 0.42 -0.30 0.00 -0.02 0.00 0.00 57.16 57.35 2q0h n GLU 154 Cb 0.11 -3.12 0.04 0.00 -0.02 0.00 0.00 31.44 28.44 2q0h n GLU 154 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2q0h s PRO 155 N -6.21 3.04 -0.07 3.49 0.04 -1.26 -4.86 135.00 129.17 2q0h s PRO 155 Ca 0.35 0.55 0.07 0.00 0.04 0.00 0.00 61.00 62.01 2q0h s PRO 155 Cb -0.17 -2.03 -0.24 0.00 0.04 0.00 0.00 34.50 32.10 2q0h s PRO 155 CO 0.91 -0.93 0.56 1.63 0.04 0.00 0.00 177.00 179.21 2q0h n LYS 156 N -2.95 0.67 -5.01 4.56 4.76 0.14 -4.91 118.16 115.43 2q0h n LYS 156 Ca 0.07 0.28 -0.28 0.00 -2.87 0.00 0.00 58.31 55.51 2q0h n LYS 156 Cb 0.56 -1.76 -0.16 0.00 -1.84 0.00 0.00 35.03 31.83 2q0h n LYS 156 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2q0h s ILE 157 N -2.58 1.66 -0.20 -0.18 1.01 -0.52 -3.82 121.20 116.57 2q0h s ILE 157 Ca -0.10 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.68 2q0h s ILE 157 Cb 0.07 -1.40 0.02 0.00 0.01 0.00 0.00 42.46 41.16 2q0h s ILE 157 CO 0.81 0.47 -0.15 -0.04 0.00 0.00 0.00 174.94 176.02 2q0h s MET 158 N -0.20 2.99 -0.16 2.79 -1.94 -0.48 -0.50 119.30 121.80 2q0h s MET 158 Ca 0.01 -0.84 -0.07 0.00 -1.71 0.00 0.00 55.69 53.07 2q0h s MET 158 Cb -0.11 -2.71 -0.04 0.00 2.01 0.00 0.00 34.83 33.99 2q0h s MET 158 CO 0.01 -0.25 0.09 -0.51 -0.01 0.00 0.00 175.02 174.35 2q0h s LEU 159 N 1.31 4.02 -0.17 -0.03 1.43 0.11 -2.11 118.68 123.23 2q0h s LEU 159 Ca 0.04 0.21 0.00 0.00 -1.03 0.00 0.00 54.13 53.36 2q0h s LEU 159 Cb -0.14 -2.00 0.04 0.00 0.03 0.00 0.00 46.19 44.11 2q0h s LEU 159 CO -0.10 0.25 -0.10 -0.36 0.23 0.00 0.00 176.35 176.27 2q0h s PHE 160 N -0.09 2.15 -0.78 0.29 0.08 -0.47 -0.89 117.98 118.27 2q0h s PHE 160 Ca 0.08 -1.34 -0.10 0.00 0.12 0.00 0.00 56.93 55.69 2q0h s PHE 160 Cb -0.12 -1.54 0.20 0.00 -0.57 0.00 0.00 43.02 41.00 2q0h s PHE 160 CO 0.01 -0.68 0.68 0.34 -0.10 0.00 0.00 175.22 175.46 2q0h s ASP 161 N 1.49 6.27 -1.30 1.36 -1.08 -0.40 -0.63 116.67 122.37 2q0h s ASP 161 Ca 0.01 -2.83 -0.07 0.00 -0.52 0.00 0.00 52.55 49.14 2q0h s ASP 161 Cb -0.15 -2.09 -0.00 0.00 -1.46 0.00 0.00 42.92 39.22 2q0h s ASP 161 CO -0.09 -0.48 0.58 -0.62 0.52 0.00 0.00 175.17 175.08 2q0h n GLU 162 N 3.69 -2.81 0.26 4.34 1.02 0.15 -2.31 120.64 124.97 2q0h n GLU 162 Ca 0.13 0.45 0.14 0.00 -0.02 0.00 0.00 57.16 57.86 2q0h n GLU 162 Cb 0.43 -4.46 0.76 0.00 -0.02 0.00 0.00 31.44 28.16 2q0h n GLU 162 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2q0h h PRO 163 N -1.87 0.00 -0.00 3.49 0.13 -1.78 -2.84 132.00 129.13 2q0h h PRO 163 Ca -0.64 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 2q0h h PRO 163 Cb 1.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2q0h h PRO 163 CO 0.57 0.00 -0.05 0.25 -0.23 0.00 0.00 178.00 178.54 2q0h n THR 164 N -2.59 0.00 0.19 1.56 -2.24 -1.26 -4.72 114.28 105.22 2q0h n THR 164 Ca -0.02 -0.48 0.18 0.00 -2.27 0.00 0.00 64.05 61.47 2q0h n THR 164 Cb 0.20 1.02 0.78 0.00 -2.10 0.00 0.00 70.33 70.23 2q0h n THR 164 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2q0h h SER 165 N 0.19 0.00 -0.60 3.42 0.02 -1.85 0.59 113.55 115.31 2q0h h SER 165 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2q0h h SER 165 Cb 0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.60 2q0h h SER 165 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 2q0h n ALA 166 N -2.17 2.33 -2.92 3.77 0.00 -1.26 -4.99 120.51 115.26 2q0h n ALA 166 Ca 0.03 -1.23 -0.30 0.00 0.00 0.00 0.00 53.44 51.95 2q0h n ALA 166 Cb 0.51 -0.79 -0.04 0.00 0.00 0.00 0.00 19.45 19.13 2q0h n ALA 166 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2q0h s LEU 167 N -1.03 4.35 0.60 0.00 1.43 0.20 -5.08 118.68 119.14 2q0h s LEU 167 Ca 0.41 0.25 -0.19 0.00 -1.03 0.00 0.00 54.13 53.57 2q0h s LEU 167 Cb 0.22 -2.95 -0.03 0.00 0.03 0.00 0.00 46.19 43.45 2q0h s LEU 167 CO 0.28 0.14 1.22 -1.81 0.23 0.00 0.00 176.35 176.41 2q0h s ASP 168 N -2.69 5.13 0.35 2.29 1.01 -1.26 -4.81 116.67 116.69 2q0h s ASP 168 Ca 0.35 2.42 0.15 0.00 0.71 0.00 0.00 52.55 56.18 2q0h s ASP 168 Cb -0.13 -2.60 1.03 0.00 1.01 0.00 0.00 42.92 42.23 2q0h s ASP 168 CO 0.28 -1.64 1.72 -0.65 0.21 0.00 0.00 175.17 175.09 2q0h h PRO 169 N 0.86 0.42 -0.63 8.23 0.11 -1.98 -0.94 132.00 138.07 2q0h h PRO 169 Ca -0.51 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.57 2q0h h PRO 169 Cb 1.30 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 2q0h h PRO 169 CO 0.55 0.28 0.35 0.93 -0.21 0.00 0.00 178.00 179.89 2q0h h GLU 170 N 0.43 0.87 -0.02 1.05 3.07 -2.03 -2.97 114.58 114.99 2q0h h GLU 170 Ca 0.67 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 59.44 2q0h h GLU 170 Cb 1.51 -0.18 0.00 0.00 -0.84 0.00 0.00 28.75 29.24 2q0h h GLU 170 CO -0.46 0.63 -0.05 -1.33 -1.40 0.00 0.00 179.01 176.41 2q0h n MET 171 N -4.38 1.81 -0.11 2.33 2.81 -0.38 -4.21 117.12 114.99 2q0h n MET 171 Ca 0.06 -1.28 -0.09 0.00 -1.81 0.00 0.00 57.70 54.57 2q0h n MET 171 Cb 0.10 -1.47 -0.02 0.00 -0.71 0.00 0.00 33.22 31.12 2q0h n MET 171 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2q0h h VAL 172 N 3.13 1.17 -0.57 2.03 2.07 -1.34 -3.30 116.25 119.45 2q0h h VAL 172 Ca 0.00 -0.50 0.10 0.00 0.82 0.00 0.00 66.70 67.12 2q0h h VAL 172 Cb 0.70 0.87 -0.08 0.00 -1.52 0.00 0.00 31.29 31.26 2q0h h VAL 172 CO 0.00 0.18 0.14 1.23 0.02 0.00 0.00 177.57 179.14 2q0h h GLY 173 N 0.41 0.73 1.91 2.17 0.00 -1.74 -2.27 103.07 104.28 2q0h h GLY 173 Ca 0.12 -0.04 -0.03 0.00 0.00 0.00 0.00 47.33 47.37 2q0h h GLY 173 CO -0.01 -0.08 -0.08 1.05 0.00 0.00 0.00 176.54 177.41 2q0h h GLU 174 N 0.28 0.11 0.01 4.80 4.11 -1.83 -0.41 114.58 121.66 2q0h h GLU 174 Ca 0.29 -0.02 -0.03 0.00 0.07 0.00 0.00 59.36 59.67 2q0h h GLU 174 Cb 0.41 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.64 2q0h h GLU 174 CO -0.36 0.21 -0.13 0.28 0.07 0.00 0.00 179.01 179.08 2q0h h VAL 175 N 0.11 1.66 -0.69 -1.06 2.07 -1.61 -2.86 116.25 113.88 2q0h h VAL 175 Ca 0.03 -2.12 0.07 0.00 0.82 0.00 0.00 66.70 65.49 2q0h h VAL 175 Cb 0.22 3.08 -0.04 0.00 -1.52 0.00 0.00 31.29 33.03 2q0h h VAL 175 CO 0.01 0.56 0.46 -0.07 0.02 0.00 0.00 177.57 178.55 2q0h h LEU 176 N -0.76 0.60 -0.80 2.57 3.38 -1.24 -0.70 115.31 118.35 2q0h h LEU 176 Ca -0.02 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 2q0h h LEU 176 Cb 0.99 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 2q0h h LEU 176 CO 0.03 0.39 0.41 -1.28 0.09 0.00 0.00 178.44 178.07 2q0h h SER 177 N 0.68 1.03 0.10 -0.43 0.87 -1.10 0.57 113.55 115.27 2q0h h SER 177 Ca 0.30 -0.12 -0.09 0.00 -1.23 0.00 0.00 61.79 60.65 2q0h h SER 177 Cb 0.30 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 2q0h h SER 177 CO -0.10 0.86 -0.30 0.58 -0.53 0.00 0.00 176.83 177.33 2q0h h VAL 178 N 1.13 1.27 -0.00 2.23 2.07 -0.92 -1.66 116.25 120.36 2q0h h VAL 178 Ca 0.28 -1.30 -0.20 0.00 0.82 0.00 0.00 66.70 66.31 2q0h h VAL 178 Cb 0.08 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 2q0h h VAL 178 CO -0.04 0.40 -0.87 0.24 0.02 0.00 0.00 177.57 177.32 2q0h h MET 179 N 0.28 0.23 -0.46 1.57 2.07 -0.52 -2.40 114.93 115.69 2q0h h MET 179 Ca 0.04 -0.25 0.01 0.00 -2.07 0.00 0.00 59.70 57.43 2q0h h MET 179 Cb 0.68 0.07 -0.02 0.00 -1.87 0.00 0.00 31.60 30.46 2q0h h MET 179 CO 0.05 0.96 0.30 -0.22 1.07 0.00 0.00 176.91 179.08 2q0h h LYS 180 N 0.13 0.60 -0.10 1.72 1.63 0.52 -1.59 116.57 119.48 2q0h h LYS 180 Ca -0.05 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.71 2q0h h LYS 180 Cb 1.49 -0.14 -0.00 0.00 -0.60 0.00 0.00 32.23 32.98 2q0h h LYS 180 CO 0.14 0.40 0.05 0.37 -3.45 0.00 0.00 179.45 176.95 2q0h h GLN 181 N 0.62 0.15 -0.86 1.90 4.15 -1.24 -2.24 115.11 117.58 2q0h h GLN 181 Ca 0.17 -0.02 0.10 0.00 0.77 0.00 0.00 58.65 59.67 2q0h h GLN 181 Cb -0.06 -0.03 -0.07 0.00 0.21 0.00 0.00 27.48 27.53 2q0h h GLN 181 CO -0.05 0.22 0.51 -0.07 -1.93 0.00 0.00 178.83 177.51 2q0h h LEU 182 N 0.04 0.73 -0.03 -2.39 4.07 -1.15 -2.36 115.31 114.21 2q0h h LEU 182 Ca 0.04 0.05 0.00 0.00 0.08 0.00 0.00 57.88 58.04 2q0h h LEU 182 Cb 0.12 -0.10 -0.00 0.00 1.08 0.00 0.00 40.66 41.76 2q0h h LEU 182 CO -0.00 0.42 0.02 0.00 -1.08 0.00 0.00 178.44 177.79 2q0h h ALA 183 N 1.47 0.04 -0.59 1.53 0.00 -1.01 -2.71 119.26 117.99 2q0h h ALA 183 Ca 0.42 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.44 2q0h h ALA 183 Cb 0.37 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2q0h h ALA 183 CO -0.25 -0.46 0.40 -0.91 0.00 0.00 0.00 179.25 178.03 2q0h h ASN 184 N 0.04 0.29 0.00 0.00 2.35 -0.90 -0.58 115.58 116.78 2q0h h ASN 184 Ca 0.01 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2q0h h ASN 184 Cb -0.00 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.32 2q0h h ASN 184 CO -0.00 0.17 0.00 -0.62 -1.65 0.00 0.00 177.43 175.32 2q0h n GLU 185 N -4.46 0.93 -0.84 0.81 1.02 -1.01 -4.90 120.64 112.20 2q0h n GLU 185 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 2q0h n GLU 185 Cb 0.43 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.51 2q0h n GLU 185 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2q0h n GLY 186 N 0.74 0.50 3.72 0.62 0.00 -0.23 -5.03 105.19 105.51 2q0h n GLY 186 Ca 0.16 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 45.01 2q0h n GLY 186 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2q0h s MET 187 N -1.39 4.42 -0.09 1.61 0.00 -1.12 -4.06 119.30 118.68 2q0h s MET 187 Ca 0.00 1.87 -0.30 0.00 0.00 0.00 0.00 55.69 57.26 2q0h s MET 187 Cb 0.00 -3.29 -0.03 0.00 0.00 0.00 0.00 34.83 31.50 2q0h s MET 187 CO 0.00 -0.25 1.36 0.99 0.00 0.00 0.00 175.02 177.12 2q0h s THR 188 N 0.74 4.01 0.04 10.11 2.01 -1.25 -4.61 115.64 126.69 2q0h s THR 188 Ca 0.58 1.29 0.04 0.00 0.31 0.00 0.00 61.69 63.91 2q0h s THR 188 Cb -0.32 -3.83 -0.02 0.00 0.01 0.00 0.00 72.50 68.34 2q0h s THR 188 CO 0.32 -0.07 -0.11 -0.04 -0.69 0.00 0.00 174.62 174.03 2q0h s MET 189 N 3.10 0.70 -0.16 4.92 -1.94 0.38 -1.38 119.30 124.92 2q0h s MET 189 Ca 0.61 -0.74 -0.00 0.00 -1.71 0.00 0.00 55.69 53.84 2q0h s MET 189 Cb -0.27 -0.61 0.04 0.00 2.01 0.00 0.00 34.83 36.00 2q0h s MET 189 CO 0.21 0.14 -0.08 0.08 -0.01 0.00 0.00 175.02 175.36 2q0h s VAL 190 N -1.07 1.29 -0.21 -6.03 1.01 -0.90 -1.01 120.40 113.48 2q0h s VAL 190 Ca -0.04 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.30 2q0h s VAL 190 Cb -0.09 -1.37 0.05 0.00 0.00 0.00 0.00 36.38 34.97 2q0h s VAL 190 CO 0.01 0.23 -0.09 -0.69 0.00 0.00 0.00 175.10 174.56 2q0h s VAL 191 N 1.57 1.66 -0.28 2.92 1.01 0.13 -1.37 120.40 126.04 2q0h s VAL 191 Ca 0.02 -1.11 -0.22 0.00 0.00 0.00 0.00 61.98 60.67 2q0h s VAL 191 Cb -0.15 -1.78 -0.01 0.00 0.00 0.00 0.00 36.38 34.44 2q0h s VAL 191 CO -0.08 0.09 0.71 -0.69 0.00 0.00 0.00 175.10 175.13 2q0h s VAL 192 N 1.37 4.89 0.28 2.92 1.01 0.20 -0.39 120.40 130.69 2q0h s VAL 192 Ca -0.03 1.18 -0.14 0.00 0.00 0.00 0.00 61.98 62.99 2q0h s VAL 192 Cb -0.17 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.18 2q0h s VAL 192 CO -0.07 -0.10 0.58 0.28 0.00 0.00 0.00 175.10 175.78 2q0h s THR 193 N 2.71 0.00 -0.02 3.92 -1.32 -1.08 0.31 115.64 120.17 2q0h s THR 193 Ca 0.29 -1.28 0.02 0.00 -1.21 0.00 0.00 61.69 59.52 2q0h s THR 193 Cb -0.15 -2.27 0.04 0.00 -1.51 0.00 0.00 72.50 68.61 2q0h s THR 193 CO 0.10 0.00 0.86 0.00 -2.21 0.00 0.00 174.62 173.37 2q0h n HIS 194 N -0.44 0.00 -3.07 9.09 1.44 -1.26 -4.51 115.22 116.47 2q0h n HIS 194 Ca -0.03 -0.36 -0.44 0.00 -2.01 0.00 0.00 57.72 54.87 2q0h n HIS 194 Cb 0.61 -0.05 -0.00 0.00 0.12 0.00 0.00 29.99 30.67 2q0h n HIS 194 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 2q0h s GLU 195 N -0.84 4.05 0.49 -1.40 0.41 -1.26 -4.88 118.70 115.27 2q0h s GLU 195 Ca 0.04 -2.66 0.20 0.00 -0.41 0.00 0.00 54.97 52.14 2q0h s GLU 195 Cb 0.04 -4.88 1.24 0.00 -1.78 0.00 0.00 34.13 28.74 2q0h s GLU 195 CO 0.00 -1.60 2.00 0.52 -0.49 0.00 0.00 175.26 175.69 2q0h h MET 196 N 7.23 0.16 -0.45 1.61 2.86 -2.00 -2.02 114.93 122.31 2q0h h MET 196 Ca 0.25 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.92 2q0h h MET 196 Cb 0.90 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.48 2q0h h MET 196 CO 1.14 0.11 0.24 0.78 1.06 0.00 0.00 176.91 180.24 2q0h h GLY 197 N 0.17 0.63 0.80 8.32 0.00 -2.00 -1.29 103.07 109.68 2q0h h GLY 197 Ca 0.24 -0.17 0.02 0.00 0.00 0.00 0.00 47.33 47.43 2q0h h GLY 197 CO -0.04 0.12 -0.03 -2.75 0.00 0.00 0.00 176.54 173.85 2q0h h PHE 198 N 0.48 -0.06 -0.29 5.60 3.57 -1.79 -2.14 116.94 122.31 2q0h h PHE 198 Ca 0.19 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.77 2q0h h PHE 198 Cb 0.08 0.04 -0.07 0.00 2.79 0.00 0.00 35.95 38.79 2q0h h PHE 198 CO -0.09 -0.05 -0.20 0.00 -2.23 0.00 0.00 178.31 175.74 2q0h h ALA 199 N 1.09 -0.02 0.13 2.41 0.00 -1.34 0.40 119.26 121.94 2q0h h ALA 199 Ca 0.05 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2q0h h ALA 199 Cb 0.08 0.45 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2q0h h ALA 199 CO -0.10 -0.61 -0.24 -0.09 0.00 0.00 0.00 179.25 178.21 2q0h h ARG 200 N -0.18 -0.43 -0.37 0.00 2.43 -1.08 1.19 114.38 115.93 2q0h h ARG 200 Ca 0.15 0.03 -0.06 0.00 -0.81 0.00 0.00 59.98 59.29 2q0h h ARG 200 Cb 0.42 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.05 2q0h h ARG 200 CO -0.40 -0.29 0.01 0.93 -1.51 0.00 0.00 179.97 178.71 2q0h h GLU 201 N -0.45 0.65 0.00 0.20 5.08 -1.05 -3.38 114.58 115.63 2q0h h GLU 201 Ca 0.02 -0.20 -0.14 0.00 -1.00 0.00 0.00 59.36 58.04 2q0h h GLU 201 Cb 0.47 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.63 2q0h h GLU 201 CO -0.13 0.75 -1.77 0.28 -1.00 0.00 0.00 179.01 177.15 2q0h n VAL 202 N -4.49 0.51 -2.09 3.13 0.31 0.14 -5.01 118.33 110.83 2q0h n VAL 202 Ca -0.01 -0.44 -0.42 0.00 -0.01 0.00 0.00 64.34 63.45 2q0h n VAL 202 Cb 0.27 -0.31 -0.03 0.00 -0.91 0.00 0.00 33.84 32.86 2q0h n VAL 202 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 2q0h s GLY 203 N -4.15 1.80 0.05 2.92 0.00 0.41 -4.79 107.32 103.56 2q0h s GLY 203 Ca -0.06 1.13 0.00 0.00 0.00 0.00 0.00 44.72 45.79 2q0h s GLY 203 CO 0.54 2.53 1.03 -0.55 0.00 0.00 0.00 173.10 176.65 2q0h h ASP 204 N 7.30 0.28 -5.05 1.64 3.32 -1.12 -3.43 116.42 119.37 2q0h h ASP 204 Ca -0.41 -0.34 -0.10 0.00 0.02 0.00 0.00 57.03 56.19 2q0h h ASP 204 Cb 1.20 -0.09 -0.18 0.00 0.22 0.00 0.00 39.33 40.48 2q0h h ASP 204 CO 0.89 1.28 -0.30 -0.60 -1.72 0.00 0.00 179.24 178.80 2q0h s ARG 205 N -2.65 0.75 -0.05 3.56 3.52 -1.17 -4.58 118.95 118.32 2q0h s ARG 205 Ca -0.05 -0.49 0.02 0.00 -0.13 0.00 0.00 55.73 55.09 2q0h s ARG 205 Cb 0.08 0.32 0.01 0.00 -1.56 0.00 0.00 34.95 33.80 2q0h s ARG 205 CO 0.85 -0.23 -0.12 0.08 -0.81 0.00 0.00 175.30 175.08 2q0h s VAL 206 N -2.34 1.07 -0.22 7.11 1.01 -0.79 -1.44 120.40 124.80 2q0h s VAL 206 Ca -0.07 -0.47 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 2q0h s VAL 206 Cb -0.02 -0.97 0.01 0.00 0.00 0.00 0.00 36.38 35.40 2q0h s VAL 206 CO -0.02 0.33 -0.07 -0.76 0.00 0.00 0.00 175.10 174.58 2q0h s LEU 207 N 0.51 2.88 -0.44 3.92 1.43 0.60 -2.96 118.68 124.62 2q0h s LEU 207 Ca -0.11 -0.57 -0.19 0.00 -1.03 0.00 0.00 54.13 52.24 2q0h s LEU 207 Cb -0.14 -1.68 0.03 0.00 0.03 0.00 0.00 46.19 44.43 2q0h s LEU 207 CO 0.03 -0.05 0.55 0.12 0.23 0.00 0.00 176.35 177.23 2q0h s PHE 208 N 1.41 3.11 -0.07 0.29 5.36 0.23 -1.09 117.98 127.22 2q0h s PHE 208 Ca 0.04 -0.28 -0.10 0.00 -0.96 0.00 0.00 56.93 55.63 2q0h s PHE 208 Cb -0.15 -3.20 -0.05 0.00 -0.34 0.00 0.00 43.02 39.29 2q0h s PHE 208 CO -0.05 -0.83 0.26 -1.64 -1.46 0.00 0.00 175.22 171.50 2q0h s MET 209 N 2.50 3.65 -0.25 10.12 -1.94 0.20 -0.63 119.30 132.95 2q0h s MET 209 Ca 0.17 0.11 -0.03 0.00 -1.71 0.00 0.00 55.69 54.23 2q0h s MET 209 Cb -0.16 -3.20 0.14 0.00 2.01 0.00 0.00 34.83 33.61 2q0h s MET 209 CO 0.15 0.74 0.42 0.34 -0.01 0.00 0.00 175.02 176.67 2q0h s ASP 210 N -1.05 -0.11 -1.08 3.03 -1.08 -0.14 -3.92 116.67 112.32 2q0h s ASP 210 Ca 0.19 0.41 -0.03 0.00 -0.52 0.00 0.00 52.55 52.59 2q0h s ASP 210 Cb -0.14 1.34 0.00 0.00 -1.46 0.00 0.00 42.92 42.66 2q0h s ASP 210 CO 0.08 -0.29 0.45 0.61 0.52 0.00 0.00 175.17 176.54 2q0h n GLY 211 N 5.38 -0.15 1.53 2.66 0.00 -1.26 -3.13 105.19 110.22 2q0h n GLY 211 Ca -0.04 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2q0h n GLY 211 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2q0h n GLY 212 N -1.31 0.76 3.32 -0.02 0.00 -0.84 -4.69 105.19 102.41 2q0h n GLY 212 Ca -0.08 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 2q0h n GLY 212 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2q0h s TYR 213 N -2.99 1.78 -0.52 1.61 2.02 -1.18 -1.04 117.35 117.03 2q0h s TYR 213 Ca 0.00 -0.48 -0.20 0.00 -0.37 0.00 0.00 57.07 56.02 2q0h s TYR 213 Cb 0.00 -0.89 0.06 0.00 -0.40 0.00 0.00 41.96 40.73 2q0h s TYR 213 CO 0.00 0.31 0.70 0.42 -1.57 0.00 0.00 175.55 175.41 2q0h s ILE 214 N -2.06 4.77 0.11 2.71 1.01 -1.26 -0.97 121.20 125.51 2q0h s ILE 214 Ca 0.15 -0.39 -0.11 0.00 0.00 0.00 0.00 60.65 60.30 2q0h s ILE 214 Cb -0.06 -4.37 -0.17 0.00 0.01 0.00 0.00 42.46 37.87 2q0h s ILE 214 CO 0.06 -0.90 1.29 0.40 0.00 0.00 0.00 174.94 175.79 2q0h h ILE 215 N 5.90 1.30 -3.13 2.92 1.08 -1.20 -3.47 117.51 120.91 2q0h h ILE 215 Ca -0.27 -2.12 -0.12 0.00 -0.39 0.00 0.00 64.86 61.96 2q0h h ILE 215 Cb 1.09 2.15 -0.20 0.00 -3.07 0.00 0.00 36.82 36.79 2q0h h ILE 215 CO 1.00 0.66 -0.30 -0.70 -0.69 0.00 0.00 178.15 178.12 2q0h s GLU 216 N -3.56 0.66 0.06 2.37 2.12 -1.18 -4.99 118.70 114.17 2q0h s GLU 216 Ca -0.09 -0.26 0.01 0.00 0.36 0.00 0.00 54.97 54.99 2q0h s GLU 216 Cb 0.08 0.29 -0.00 0.00 0.26 0.00 0.00 34.13 34.76 2q0h s GLU 216 CO 0.90 -0.18 0.03 0.39 -0.54 0.00 0.00 175.26 175.85 2q0h n GLU 217 N 1.22 0.75 0.00 4.30 1.02 -1.26 -0.60 120.64 126.06 2q0h n GLU 217 Ca -0.21 -0.53 0.00 0.00 -0.02 0.00 0.00 57.16 56.40 2q0h n GLU 217 Cb 0.56 0.31 0.00 0.00 -0.02 0.00 0.00 31.44 32.29 2q0h n GLU 217 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2q0h n GLY 218 N 1.54 3.02 3.58 0.62 0.00 -1.15 -4.81 105.19 107.99 2q0h n GLY 218 Ca -0.01 -2.01 -0.41 0.00 0.00 0.00 0.00 46.02 43.59 2q0h n GLY 218 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2q0h n LYS 219 N -0.79 1.16 -0.11 1.61 4.76 -1.26 -1.89 118.16 121.64 2q0h n LYS 219 Ca 0.00 0.42 -0.11 0.00 -2.87 0.00 0.00 58.31 55.75 2q0h n LYS 219 Cb 0.00 -1.97 -0.06 0.00 -1.84 0.00 0.00 35.03 31.16 2q0h n LYS 219 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 2q0h h PRO 220 N 1.27 -0.37 -0.99 1.97 0.11 -1.82 -1.52 132.00 130.65 2q0h h PRO 220 Ca -0.44 0.03 0.14 0.00 0.11 0.00 0.00 66.00 65.83 2q0h h PRO 220 Cb 1.35 0.08 -0.09 0.00 0.11 0.00 0.00 31.00 32.45 2q0h h PRO 220 CO 0.55 -0.24 0.61 1.05 -0.21 0.00 0.00 178.00 179.75 2q0h h GLU 221 N -0.38 0.87 -0.16 1.05 9.09 -1.90 0.43 114.58 123.59 2q0h h GLU 221 Ca 0.11 -0.05 -0.08 0.00 0.05 0.00 0.00 59.36 59.39 2q0h h GLU 221 Cb 0.60 -0.20 -0.00 0.00 -1.65 0.00 0.00 28.75 27.50 2q0h h GLU 221 CO -0.55 0.58 -0.20 -0.44 0.05 0.00 0.00 179.01 178.44 2q0h h ASP 222 N 0.90 0.45 0.25 3.06 3.32 -1.77 -1.22 116.42 121.41 2q0h h ASP 222 Ca 0.52 -0.51 -0.17 0.00 0.02 0.00 0.00 57.03 56.89 2q0h h ASP 222 Cb 0.61 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 2q0h h ASP 222 CO -0.31 0.87 -0.65 0.25 -1.72 0.00 0.00 179.24 177.68 2q0h h LEU 223 N 0.04 0.44 0.05 1.55 6.46 -0.82 -0.84 115.31 122.19 2q0h h LEU 223 Ca 0.02 -0.26 -0.00 0.00 -0.12 0.00 0.00 57.88 57.51 2q0h h LEU 223 Cb 0.76 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.56 2q0h h LEU 223 CO 0.05 0.97 -0.03 -0.26 -0.62 0.00 0.00 178.44 178.55 2q0h h PHE 224 N 0.27 -0.07 0.02 1.25 0.04 -0.20 -3.23 116.94 115.03 2q0h h PHE 224 Ca -0.01 -0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.70 2q0h h PHE 224 Cb 1.20 0.02 0.00 0.00 2.20 0.00 0.00 35.95 39.38 2q0h h PHE 224 CO 0.04 0.55 -0.20 -0.44 -0.60 0.00 0.00 178.31 177.65 2q0h h ASP 225 N -0.84 0.15 -2.32 2.17 3.32 -1.33 -3.39 116.42 114.17 2q0h h ASP 225 Ca -0.01 -0.88 -0.64 0.00 0.02 0.00 0.00 57.03 55.52 2q0h h ASP 225 Cb 0.65 -0.05 -0.39 0.00 0.22 0.00 0.00 39.33 39.76 2q0h h ASP 225 CO 0.01 1.01 -0.30 -2.11 -1.72 0.00 0.00 179.24 176.13 2q0h n ARG 226 N -4.52 3.18 -1.80 3.56 1.85 -0.32 -5.07 116.66 113.53 2q0h n ARG 226 Ca -0.10 -4.71 -0.42 0.00 -1.00 0.00 0.00 57.85 51.63 2q0h n ARG 226 Cb 0.52 -2.31 -0.02 0.00 -1.05 0.00 0.00 32.46 29.61 2q0h n ARG 226 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 2q0h s PRO 227 N -2.88 4.14 0.08 2.89 0.04 -1.22 -4.57 135.00 133.47 2q0h s PRO 227 Ca 0.41 2.54 0.19 0.00 0.04 0.00 0.00 61.00 64.18 2q0h s PRO 227 Cb 0.17 -3.04 -0.12 0.00 0.04 0.00 0.00 34.50 31.54 2q0h s PRO 227 CO -0.03 -0.62 0.82 1.04 0.04 0.00 0.00 177.00 178.24 2q0h n GLN 228 N 2.44 0.62 -4.33 4.56 1.13 -1.26 -4.90 117.38 115.64 2q0h n GLN 228 Ca 0.09 0.15 -0.34 0.00 -1.94 0.00 0.00 57.00 54.96 2q0h n GLN 228 Cb 0.37 -1.77 -0.09 0.00 0.11 0.00 0.00 30.24 28.86 2q0h n GLN 228 CO 0.00 0.00 0.00 -1.58 -1.44 0.00 0.00 177.06 174.04 2q0h s HIS 229 N -3.07 3.14 0.14 1.08 2.46 -1.26 -5.03 115.29 112.75 2q0h s HIS 229 Ca -0.03 0.16 -0.21 0.00 0.47 0.00 0.00 55.06 55.45 2q0h s HIS 229 Cb 0.09 -1.75 0.00 0.00 -0.13 0.00 0.00 32.58 30.80 2q0h s HIS 229 CO 0.81 0.47 1.67 0.93 -2.47 0.00 0.00 174.74 176.15 2q0h h GLU 230 N 4.82 -0.14 -0.77 2.88 4.39 -1.99 -0.38 114.58 123.39 2q0h h GLU 230 Ca -0.50 0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.28 2q0h h GLU 230 Cb 1.19 0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.82 2q0h h GLU 230 CO 0.56 -0.09 0.51 0.00 -1.16 0.00 0.00 179.01 178.82 2q0h h ARG 231 N -0.14 0.79 -0.29 2.33 2.47 -1.98 0.45 114.38 118.01 2q0h h ARG 231 Ca 0.11 -0.05 -0.10 0.00 -1.26 0.00 0.00 59.98 58.69 2q0h h ARG 231 Cb 0.31 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.44 2q0h h ARG 231 CO -0.28 0.52 -0.23 1.15 0.56 0.00 0.00 179.97 181.70 2q0h h THR 232 N 0.82 1.26 -0.21 2.04 2.02 -1.71 -0.49 112.91 116.64 2q0h h THR 232 Ca 0.33 -1.25 -0.13 0.00 0.77 0.00 0.00 66.41 66.13 2q0h h THR 232 Cb 0.26 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.96 2q0h h THR 232 CO -0.12 0.40 -0.38 0.11 0.37 0.00 0.00 175.52 175.91 2q0h h LYS 233 N 0.48 0.63 -0.51 6.66 1.57 0.72 -2.20 116.57 123.93 2q0h h LYS 233 Ca 0.07 -0.40 -0.01 0.00 -1.87 0.00 0.00 60.65 58.44 2q0h h LYS 233 Cb 0.66 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 2q0h h LYS 233 CO 0.05 1.01 0.26 0.00 -0.57 0.00 0.00 179.45 180.20 2q0h h ALA 234 N 0.62 0.65 -0.23 3.86 0.00 0.07 -1.56 119.26 122.67 2q0h h ALA 234 Ca 0.01 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 2q0h h ALA 234 Cb 0.98 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2q0h h ALA 234 CO 0.09 0.19 -0.12 0.35 0.00 0.00 0.00 179.25 179.76 2q0h h PHE 235 N 0.68 0.57 0.00 0.00 3.04 -1.14 -2.81 116.94 117.27 2q0h h PHE 235 Ca 0.18 -0.14 0.00 0.00 3.98 0.00 0.00 57.97 61.99 2q0h h PHE 235 Cb 0.08 -0.13 0.00 0.00 2.56 0.00 0.00 35.95 38.46 2q0h h PHE 235 CO -0.01 0.76 0.00 1.28 -2.02 0.00 0.00 178.31 178.32 2q0h n LEU 236 N -4.50 0.00 0.04 0.59 4.77 -0.83 -2.05 117.00 115.02 2q0h n LEU 236 Ca -0.04 0.43 0.13 0.00 -0.03 0.00 0.00 56.01 56.50 2q0h n LEU 236 Cb 0.34 -0.43 0.34 0.00 -2.33 0.00 0.00 43.42 41.34 2q0h n LEU 236 CO 0.40 -0.28 0.63 -1.54 -1.33 0.00 0.00 177.39 175.28 2q0h n SER 237 N -1.43 0.52 -4.59 -1.43 3.41 -0.60 -3.92 113.62 105.57 2q0h n SER 237 Ca 0.03 0.22 -0.43 0.00 -0.26 0.00 0.00 58.87 58.44 2q0h n SER 237 Cb 0.11 -0.18 -0.02 0.00 -0.26 0.00 0.00 64.21 63.85 2q0h n SER 237 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2q0h s LYS 238 N -3.08 3.56 -0.71 4.33 -0.14 -0.87 -2.97 119.74 119.87 2q0h s LYS 238 Ca 0.10 0.65 -0.03 0.00 -1.36 0.00 0.00 55.97 55.33 2q0h s LYS 238 Cb 0.15 -4.01 0.00 0.00 -1.68 0.00 0.00 37.83 32.30 2q0h s LYS 238 CO 0.64 -1.59 0.67 1.33 -0.76 0.00 0.00 175.35 175.64 2q0h n VAL 239 N 6.93 -8.78 0.00 3.17 0.24 -1.26 -5.08 118.33 113.54 2q0h n VAL 239 Ca 0.13 -0.06 0.00 0.00 -2.04 0.00 0.00 64.34 62.38 2q0h n VAL 239 Cb 0.49 -6.11 0.00 0.00 -1.47 0.00 0.00 33.84 26.75 2q0h n VAL 239 CO 0.00 0.00 0.00 2.22 -2.14 0.00 0.00 176.83 176.91