#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qr0 s VAL 2 N 0.00 4.79 -0.14 6.31 1.01 -1.26 -4.11 120.40 127.00 2qr0 s VAL 2 Ca 0.00 1.45 -0.24 0.00 0.00 0.00 0.00 61.98 63.19 2qr0 s VAL 2 Cb 0.00 -4.03 0.06 0.00 0.00 0.00 0.00 36.38 32.41 2qr0 s VAL 2 CO 0.00 0.40 0.59 0.00 0.00 0.00 0.00 175.10 176.09 2qr0 s GLN 3 N -0.20 0.82 -0.07 2.72 -2.07 -0.30 -5.01 119.66 115.55 2qr0 s GLN 3 Ca 0.35 0.50 0.01 0.00 -1.82 0.00 0.00 55.36 54.40 2qr0 s GLN 3 Cb -0.20 0.39 -0.03 0.00 -1.09 0.00 0.00 33.01 32.09 2qr0 s GLN 3 CO 0.20 -0.18 -0.08 -0.51 -1.32 0.00 0.00 175.29 173.40 2qr0 s LEU 4 N -0.42 3.11 -0.07 2.60 1.02 -1.26 -1.71 118.68 121.95 2qr0 s LEU 4 Ca -0.06 -0.05 0.01 0.00 0.02 0.00 0.00 54.13 54.05 2qr0 s LEU 4 Cb -0.03 -1.68 0.02 0.00 0.02 0.00 0.00 46.19 44.53 2qr0 s LEU 4 CO 0.04 0.35 -0.07 -0.69 0.02 0.00 0.00 176.35 176.00 2qr0 s VAL 5 N -0.73 0.81 0.24 -1.59 1.01 -0.99 -4.11 120.40 115.04 2qr0 s VAL 5 Ca 0.11 -0.24 0.07 0.00 0.00 0.00 0.00 61.98 61.92 2qr0 s VAL 5 Cb -0.11 -0.81 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 2qr0 s VAL 5 CO 0.01 0.30 0.15 -1.61 0.00 0.00 0.00 175.10 173.96 2qr0 s GLU 6 N 1.14 2.83 0.20 2.72 2.02 -1.26 0.83 118.70 127.18 2qr0 s GLU 6 Ca -0.07 -1.07 -0.23 0.00 0.02 0.00 0.00 54.97 53.63 2qr0 s GLU 6 Cb -0.14 -2.52 0.05 0.00 0.10 0.00 0.00 34.13 31.62 2qr0 s GLU 6 CO -0.01 0.41 0.69 -1.54 0.02 0.00 0.00 175.26 174.83 2qr0 s SER 7 N -3.66 -0.40 0.00 -0.19 1.04 -0.53 -4.88 113.70 105.07 2qr0 s SER 7 Ca 0.32 -0.28 0.00 0.00 0.48 0.00 0.00 55.95 56.47 2qr0 s SER 7 Cb -0.08 0.64 0.00 0.00 0.10 0.00 0.00 66.02 66.68 2qr0 s SER 7 CO 0.24 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 173.96 2qr0 n GLY 8 N -0.41 0.57 3.78 7.32 0.00 -1.26 -1.98 105.19 113.21 2qr0 n GLY 8 Ca -0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.61 2qr0 n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qr0 s GLY 9 N -1.31 1.66 0.00 -0.02 0.00 -1.26 -4.61 107.32 101.78 2qr0 s GLY 9 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 44.72 44.84 2qr0 s GLY 9 CO 0.00 0.47 0.00 0.61 0.00 0.00 0.00 173.10 174.18 2qr0 n GLY 10 N -1.57 -0.54 3.75 0.20 0.00 -0.94 -4.89 105.19 101.20 2qr0 n GLY 10 Ca 0.08 -0.74 -0.38 0.00 0.00 0.00 0.00 46.02 44.98 2qr0 n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qr0 s LEU 11 N 0.00 4.33 -0.07 0.99 0.20 -1.26 -1.25 118.68 121.61 2qr0 s LEU 11 Ca 0.00 0.83 -0.06 0.00 0.69 0.00 0.00 54.13 55.59 2qr0 s LEU 11 Cb 0.00 -2.64 0.02 0.00 -0.43 0.00 0.00 46.19 43.14 2qr0 s LEU 11 CO 0.00 0.10 0.19 0.68 -0.29 0.00 0.00 176.35 177.03 2qr0 s VAL 12 N 0.14 -0.00 0.33 1.68 -7.23 -1.09 -5.00 120.40 109.22 2qr0 s VAL 12 Ca 0.24 0.01 -0.29 0.00 -1.81 0.00 0.00 61.98 60.14 2qr0 s VAL 12 Cb -0.15 -0.28 -0.10 0.00 0.56 0.00 0.00 36.38 36.41 2qr0 s VAL 12 CO 0.11 0.00 1.26 -1.10 -0.31 0.00 0.00 175.10 175.06 2qr0 s GLN 13 N 0.18 4.38 0.42 4.82 -1.52 -1.25 -1.87 119.66 124.82 2qr0 s GLN 13 Ca -0.01 2.11 -0.23 0.00 -1.95 0.00 0.00 55.36 55.29 2qr0 s GLN 13 Cb -0.02 -3.06 -0.12 0.00 -0.22 0.00 0.00 33.01 29.60 2qr0 s GLN 13 CO -0.00 -0.13 0.73 -2.30 -0.25 0.00 0.00 175.29 173.34 2qr0 n PRO 14 N 0.80 0.85 -0.85 2.91 -0.02 -1.26 -0.99 135.00 136.43 2qr0 n PRO 14 Ca 0.00 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 2qr0 n PRO 14 Cb 0.43 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 2qr0 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qr0 n GLY 15 N 1.56 0.99 3.94 -1.23 0.00 0.21 -4.91 105.19 105.75 2qr0 n GLY 15 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 2qr0 n GLY 15 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qr0 s GLY 16 N -2.00 1.72 0.30 -0.02 0.00 -0.17 -4.01 107.32 103.16 2qr0 s GLY 16 Ca 0.00 -1.04 0.07 0.00 0.00 0.00 0.00 44.72 43.76 2qr0 s GLY 16 CO 0.00 -0.66 0.26 -0.56 0.00 0.00 0.00 173.10 172.14 2qr0 s SER 17 N -4.50 5.39 -0.29 1.64 0.01 -1.26 -1.90 113.70 112.80 2qr0 s SER 17 Ca 0.60 -0.39 -0.19 0.00 1.31 0.00 0.00 55.95 57.27 2qr0 s SER 17 Cb -0.11 -1.15 0.14 0.00 0.21 0.00 0.00 66.02 65.11 2qr0 s SER 17 CO 0.43 -0.23 0.99 -0.22 0.41 0.00 0.00 173.24 174.62 2qr0 s LEU 18 N -3.94 -0.50 -0.12 2.44 1.98 0.13 -4.99 118.68 113.69 2qr0 s LEU 18 Ca 0.38 0.85 0.03 0.00 -2.89 0.00 0.00 54.13 52.50 2qr0 s LEU 18 Cb -0.07 1.80 0.01 0.00 0.66 0.00 0.00 46.19 48.59 2qr0 s LEU 18 CO 0.26 -0.14 -0.23 -0.60 -1.89 0.00 0.00 176.35 173.76 2qr0 s ARG 19 N 0.96 3.01 -0.05 1.98 3.52 -1.26 -0.22 118.95 126.89 2qr0 s ARG 19 Ca -0.05 -0.86 -0.00 0.00 -0.13 0.00 0.00 55.73 54.69 2qr0 s ARG 19 Cb -0.04 -2.37 -0.03 0.00 -1.56 0.00 0.00 34.95 30.94 2qr0 s ARG 19 CO -0.12 0.05 0.00 -0.51 -0.81 0.00 0.00 175.30 173.91 2qr0 s LEU 20 N 0.65 3.55 -0.11 -0.88 1.43 0.75 -4.58 118.68 119.50 2qr0 s LEU 20 Ca -0.11 0.08 0.02 0.00 -1.03 0.00 0.00 54.13 53.09 2qr0 s LEU 20 Cb -0.16 -1.91 0.01 0.00 0.03 0.00 0.00 46.19 44.16 2qr0 s LEU 20 CO 0.02 0.34 -0.16 -0.44 0.23 0.00 0.00 176.35 176.33 2qr0 s SER 21 N -1.17 2.53 -0.32 2.29 0.01 -0.84 -0.25 113.70 115.95 2qr0 s SER 21 Ca 0.16 -0.45 -0.02 0.00 1.31 0.00 0.00 55.95 56.95 2qr0 s SER 21 Cb -0.11 -1.14 0.06 0.00 0.21 0.00 0.00 66.02 65.03 2qr0 s SER 21 CO 0.06 0.03 0.03 0.00 0.41 0.00 0.00 173.24 173.77 2qr0 s ALA 23 N 1.24 3.43 0.41 0.00 0.00 0.24 -0.68 121.76 126.41 2qr0 s ALA 23 Ca -0.03 -1.97 -0.22 0.00 0.00 0.00 0.00 51.96 49.75 2qr0 s ALA 23 Cb -0.20 -2.85 -0.11 0.00 0.00 0.00 0.00 23.12 19.96 2qr0 s ALA 23 CO -0.01 -1.59 0.94 0.00 0.00 0.00 0.00 175.76 175.09 2qr0 s ALA 24 N 1.58 3.08 -0.16 0.00 0.00 -0.53 -2.35 121.76 123.38 2qr0 s ALA 24 Ca 0.04 0.40 -0.07 0.00 0.00 0.00 0.00 51.96 52.32 2qr0 s ALA 24 Cb -0.22 -3.14 0.06 0.00 0.00 0.00 0.00 23.12 19.82 2qr0 s ALA 24 CO 0.06 0.15 0.36 -1.12 0.00 0.00 0.00 175.76 175.21 2qr0 s SER 25 N -2.10 -0.32 0.00 0.00 0.01 -0.69 -4.87 113.70 105.74 2qr0 s SER 25 Ca 0.60 0.81 0.00 0.00 1.31 0.00 0.00 55.95 58.66 2qr0 s SER 25 Cb -0.11 0.80 0.00 0.00 0.21 0.00 0.00 66.02 66.93 2qr0 s SER 25 CO 0.15 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.21 2qr0 n GLY 26 N 4.60 0.94 3.50 3.44 0.00 -1.26 -1.15 105.19 115.26 2qr0 n GLY 26 Ca -0.19 -0.03 -0.16 0.00 0.00 0.00 0.00 46.02 45.65 2qr0 n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qr0 s PHE 27 N -2.00 -0.61 -0.62 1.61 -0.71 -1.26 -4.60 117.98 109.80 2qr0 s PHE 27 Ca 0.00 0.87 -0.27 0.00 -1.04 0.00 0.00 56.93 56.49 2qr0 s PHE 27 Cb 0.00 0.46 -0.01 0.00 -1.21 0.00 0.00 43.02 42.25 2qr0 s PHE 27 CO 0.00 -0.66 1.78 -0.80 -1.34 0.00 0.00 175.22 174.20 2qr0 s ASN 28 N -1.64 5.41 0.54 1.98 -0.87 -1.26 -4.82 114.94 114.29 2qr0 s ASN 28 Ca -0.07 0.28 0.36 0.00 -1.57 0.00 0.00 52.86 51.86 2qr0 s ASN 28 Cb -0.00 -2.53 1.84 0.00 -0.02 0.00 0.00 41.25 40.53 2qr0 s ASN 28 CO 0.03 -2.28 2.09 0.15 -2.57 0.00 0.00 177.10 174.52 2qr0 h PHE 29 N 14.25 0.00 -0.19 2.20 3.57 -1.92 -1.48 116.94 133.38 2qr0 h PHE 29 Ca -0.26 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.18 2qr0 h PHE 29 Cb 1.15 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.88 2qr0 h PHE 29 CO 1.05 0.00 -0.11 0.66 -2.23 0.00 0.00 178.31 177.68 2qr0 h SER 30 N 0.00 0.42 -0.50 0.41 4.64 -1.87 -3.30 113.55 113.34 2qr0 h SER 30 Ca 0.00 -0.42 -0.26 0.00 -0.47 0.00 0.00 61.79 60.64 2qr0 h SER 30 Cb 0.14 -0.12 -0.15 0.00 -0.31 0.00 0.00 62.40 61.96 2qr0 h SER 30 CO 0.00 0.75 0.33 -1.54 -0.87 0.00 0.00 176.83 175.50 2qr0 n SER 31 N -4.56 3.38 -0.68 4.97 3.41 -0.56 -3.87 113.62 115.72 2qr0 n SER 31 Ca -0.05 -2.81 0.00 0.00 -0.26 0.00 0.00 58.87 55.75 2qr0 n SER 31 Cb 0.33 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 2qr0 n SER 31 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2qr0 n SER 32 N -0.32 0.00 -3.74 4.04 3.41 -1.21 -4.99 113.62 110.81 2qr0 n SER 32 Ca 0.30 -0.68 -0.10 0.00 -0.26 0.00 0.00 58.87 58.14 2qr0 n SER 32 Cb 1.09 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.98 2qr0 n SER 32 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2qr0 s SER 33 N -0.13 -0.07 -0.03 4.04 1.04 -1.26 -4.26 113.70 113.03 2qr0 s SER 33 Ca 0.00 -0.46 0.04 0.00 0.48 0.00 0.00 55.95 56.00 2qr0 s SER 33 Cb 0.00 0.41 -0.00 0.00 0.10 0.00 0.00 66.02 66.53 2qr0 s SER 33 CO 0.00 -0.79 -0.13 -0.63 0.98 0.00 0.00 173.24 172.67 2qr0 s ILE 34 N -3.78 1.10 0.10 -1.02 -1.09 -0.80 -1.99 121.20 113.72 2qr0 s ILE 34 Ca 0.03 -0.55 0.03 0.00 -2.23 0.00 0.00 60.65 57.93 2qr0 s ILE 34 Cb 0.03 -0.95 -0.04 0.00 -1.58 0.00 0.00 42.46 39.92 2qr0 s ILE 34 CO -0.11 0.32 0.14 -1.00 -1.23 0.00 0.00 174.94 173.06 2qr0 s HIS 35 N 0.02 3.29 -0.12 3.97 3.76 0.24 -1.75 115.29 124.69 2qr0 s HIS 35 Ca -0.02 0.11 -0.01 0.00 -0.15 0.00 0.00 55.06 54.99 2qr0 s HIS 35 Cb -0.09 -1.64 -0.02 0.00 1.11 0.00 0.00 32.58 31.94 2qr0 s HIS 35 CO 0.01 0.54 -0.08 -1.58 -0.85 0.00 0.00 174.74 172.77 2qr0 s TRP 36 N -1.51 2.91 -0.01 1.40 0.52 0.70 -1.14 118.94 121.81 2qr0 s TRP 36 Ca 0.31 -0.36 0.03 0.00 0.02 0.00 0.00 56.10 56.10 2qr0 s TRP 36 Cb -0.12 -1.85 -0.00 0.00 -1.15 0.00 0.00 33.47 30.35 2qr0 s TRP 36 CO 0.24 -0.02 -0.08 0.08 0.02 0.00 0.00 176.95 177.19 2qr0 s VAL 37 N 0.08 0.67 0.20 4.03 1.01 0.16 -1.78 120.40 124.77 2qr0 s VAL 37 Ca -0.03 -0.35 0.10 0.00 0.00 0.00 0.00 61.98 61.70 2qr0 s VAL 37 Cb -0.14 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.63 2qr0 s VAL 37 CO 0.04 0.19 -0.20 0.00 0.00 0.00 0.00 175.10 175.13 2qr0 s ARG 38 N -0.14 1.43 -0.19 2.72 1.70 -0.10 0.79 118.95 125.15 2qr0 s ARG 38 Ca 0.02 -1.53 -0.04 0.00 -0.47 0.00 0.00 55.73 53.71 2qr0 s ARG 38 Cb -0.04 -1.54 0.08 0.00 -0.57 0.00 0.00 34.95 32.87 2qr0 s ARG 38 CO -0.00 0.31 0.14 -1.14 -1.08 0.00 0.00 175.30 173.53 2qr0 s GLN 39 N -2.99 0.12 0.51 3.89 0.74 0.29 -1.13 119.66 121.09 2qr0 s GLN 39 Ca 0.21 -0.03 -0.20 0.00 0.05 0.00 0.00 55.36 55.38 2qr0 s GLN 39 Cb -0.06 -1.55 -0.07 0.00 1.10 0.00 0.00 33.01 32.43 2qr0 s GLN 39 CO 0.09 -0.71 1.10 0.00 -0.55 0.00 0.00 175.29 175.23 2qr0 s ALA 40 N 2.20 2.79 -0.20 1.58 0.00 -1.26 -1.01 121.76 125.87 2qr0 s ALA 40 Ca 0.04 0.76 -0.38 0.00 0.00 0.00 0.00 51.96 52.38 2qr0 s ALA 40 Cb -0.16 -3.32 -0.15 0.00 0.00 0.00 0.00 23.12 19.49 2qr0 s ALA 40 CO -0.13 -0.59 1.75 -2.30 0.00 0.00 0.00 175.76 174.49 2qr0 n PRO 41 N -1.07 1.42 0.00 0.00 -0.02 -1.26 -1.50 135.00 132.57 2qr0 n PRO 41 Ca 0.10 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2qr0 n PRO 41 Cb 0.51 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 2qr0 n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qr0 n GLY 42 N 4.11 1.76 3.65 -1.23 0.00 -1.26 -4.99 105.19 107.23 2qr0 n GLY 42 Ca 0.25 -0.25 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 2qr0 n GLY 42 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2qr0 s LYS 43 N 0.00 0.46 0.00 1.61 2.47 -0.56 -5.08 119.74 118.64 2qr0 s LYS 43 Ca 0.00 0.77 0.00 0.00 -1.56 0.00 0.00 55.97 55.18 2qr0 s LYS 43 Cb 0.00 -1.72 0.00 0.00 -1.46 0.00 0.00 37.83 34.65 2qr0 s LYS 43 CO 0.00 -2.77 0.00 0.41 0.16 0.00 0.00 175.35 173.15 2qr0 n GLY 44 N -0.59 -0.14 3.81 5.54 0.00 -1.26 -4.43 105.19 108.12 2qr0 n GLY 44 Ca 0.06 -1.76 -0.38 0.00 0.00 0.00 0.00 46.02 43.93 2qr0 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qr0 s LEU 45 N 0.00 4.51 -0.02 0.99 1.43 -1.26 -4.08 118.68 120.26 2qr0 s LEU 45 Ca 0.00 1.35 0.00 0.00 -1.03 0.00 0.00 54.13 54.45 2qr0 s LEU 45 Cb 0.00 -3.08 0.02 0.00 0.03 0.00 0.00 46.19 43.16 2qr0 s LEU 45 CO 0.00 0.22 0.02 -0.70 0.23 0.00 0.00 176.35 176.12 2qr0 s GLU 46 N -1.27 0.03 0.18 1.70 2.12 -0.28 -5.01 118.70 116.17 2qr0 s GLU 46 Ca 0.32 0.13 -0.30 0.00 0.36 0.00 0.00 54.97 55.48 2qr0 s GLU 46 Cb -0.20 -0.24 -0.08 0.00 0.26 0.00 0.00 34.13 33.87 2qr0 s GLU 46 CO 0.21 -0.13 1.23 -0.46 -0.54 0.00 0.00 175.26 175.58 2qr0 s TRP 47 N 0.84 3.37 -0.06 5.30 -0.00 -1.26 -0.93 118.94 126.20 2qr0 s TRP 47 Ca -0.07 1.35 -0.07 0.00 -0.00 0.00 0.00 56.10 57.30 2qr0 s TRP 47 Cb -0.10 -3.48 -0.02 0.00 -0.00 0.00 0.00 33.47 29.86 2qr0 s TRP 47 CO -0.02 -1.43 -0.14 0.28 -0.00 0.00 0.00 176.95 175.64 2qr0 n VAL 48 N 2.67 0.70 -3.71 5.86 0.31 -0.73 -4.71 118.33 118.72 2qr0 n VAL 48 Ca 0.05 0.30 -0.08 0.00 -0.01 0.00 0.00 64.34 64.61 2qr0 n VAL 48 Cb 0.44 -1.79 -0.02 0.00 -0.91 0.00 0.00 33.84 31.56 2qr0 n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qr0 s ALA 49 N -2.78 -1.43 0.00 3.52 0.00 -1.17 -0.24 121.76 119.65 2qr0 s ALA 49 Ca -0.11 0.06 -0.02 0.00 0.00 0.00 0.00 51.96 51.89 2qr0 s ALA 49 Cb 0.02 0.79 -0.01 0.00 0.00 0.00 0.00 23.12 23.92 2qr0 s ALA 49 CO 0.17 -0.95 0.02 -0.47 0.00 0.00 0.00 175.76 174.54 2qr0 s TYR 50 N -3.71 0.08 0.01 0.00 5.04 0.47 -0.22 117.35 119.03 2qr0 s TYR 50 Ca 0.08 -0.15 0.01 0.00 -2.44 0.00 0.00 57.07 54.56 2qr0 s TYR 50 Cb -0.04 -0.07 -0.01 0.00 0.35 0.00 0.00 41.96 42.19 2qr0 s TYR 50 CO 0.00 -0.11 -0.03 -1.50 -1.34 0.00 0.00 175.55 172.57 2qr0 s ILE 51 N -0.68 0.19 -0.47 3.14 2.07 -0.72 -1.37 121.20 123.37 2qr0 s ILE 51 Ca -0.07 -0.57 0.03 0.00 -1.41 0.00 0.00 60.65 58.63 2qr0 s ILE 51 Cb -0.05 -0.25 0.16 0.00 0.13 0.00 0.00 42.46 42.45 2qr0 s ILE 51 CO -0.00 -0.25 0.33 -0.47 -1.91 0.00 0.00 174.94 172.64 2qr0 s TYR 52 N -0.82 1.73 0.38 3.50 6.14 -0.55 -1.90 117.35 125.82 2qr0 s TYR 52 Ca -0.08 -2.44 0.14 0.00 0.64 0.00 0.00 57.07 55.33 2qr0 s TYR 52 Cb -0.06 -1.50 0.97 0.00 0.42 0.00 0.00 41.96 41.80 2qr0 s TYR 52 CO -0.00 -0.76 1.83 -1.35 0.64 0.00 0.00 175.55 175.90 2qr0 h PRO 52 N 6.07 0.51 -0.90 4.97 0.11 -1.82 -2.17 132.00 138.77 2qr0 h PRO 52 Ca 0.15 -0.03 0.13 0.00 0.11 0.00 0.00 66.00 66.35 2qr0 h PRO 52 Cb 0.89 -0.11 -0.09 0.00 0.11 0.00 0.00 31.00 31.80 2qr0 h PRO 52 CO 0.45 0.34 0.51 1.03 -0.21 0.00 0.00 178.00 180.12 2qr0 h SER 53 N 0.52 0.70 -0.35 -2.05 0.87 -1.83 -2.19 113.55 109.23 2qr0 h SER 53 Ca 0.50 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 61.13 2qr0 h SER 53 Cb 1.09 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.99 2qr0 h SER 53 CO -0.24 0.35 0.00 -1.22 -0.53 0.00 0.00 176.83 175.19 2qr0 n TYR 54 N -4.76 1.18 -4.09 2.24 4.02 -0.83 -4.97 117.16 109.95 2qr0 n TYR 54 Ca 0.17 -0.81 -0.30 0.00 -0.01 0.00 0.00 57.90 56.95 2qr0 n TYR 54 Cb 0.38 -0.33 -0.08 0.00 -0.02 0.00 0.00 39.34 39.28 2qr0 n TYR 54 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 2qr0 n SER 55 N -0.12 0.00 -4.86 7.72 3.41 -0.82 -4.92 113.62 114.02 2qr0 n SER 55 Ca 0.22 -1.10 -0.37 0.00 -0.26 0.00 0.00 58.87 57.37 2qr0 n SER 55 Cb 0.93 -1.38 -0.06 0.00 -0.26 0.00 0.00 64.21 63.44 2qr0 n SER 55 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2qr0 s TYR 56 N -3.77 3.58 -0.05 7.33 5.04 -1.20 -5.01 117.35 123.27 2qr0 s TYR 56 Ca 0.25 0.51 -0.08 0.00 -2.44 0.00 0.00 57.07 55.30 2qr0 s TYR 56 Cb -0.15 -1.96 0.02 0.00 0.35 0.00 0.00 41.96 40.22 2qr0 s TYR 56 CO 0.87 0.69 0.20 -0.08 -1.34 0.00 0.00 175.55 175.90 2qr0 s THR 57 N -0.88 0.03 -0.04 4.34 -1.32 -1.26 -1.48 115.64 115.03 2qr0 s THR 57 Ca 0.14 -0.27 -0.09 0.00 -1.21 0.00 0.00 61.69 60.26 2qr0 s THR 57 Cb -0.12 -0.38 0.01 0.00 -1.51 0.00 0.00 72.50 70.50 2qr0 s THR 57 CO 0.03 -0.15 0.20 -0.94 -2.21 0.00 0.00 174.62 171.56 2qr0 s SER 58 N -0.52 -0.12 0.18 8.08 1.04 -0.47 -5.01 113.70 116.88 2qr0 s SER 58 Ca -0.06 0.12 0.08 0.00 0.48 0.00 0.00 55.95 56.57 2qr0 s SER 58 Cb -0.04 0.33 -0.04 0.00 0.10 0.00 0.00 66.02 66.37 2qr0 s SER 58 CO 0.01 -0.26 -0.17 -0.31 0.98 0.00 0.00 173.24 173.49 2qr0 s TYR 59 N -0.75 1.78 0.30 5.02 1.51 -1.26 -0.40 117.35 123.56 2qr0 s TYR 59 Ca -0.08 -0.49 -0.26 0.00 -1.01 0.00 0.00 57.07 55.22 2qr0 s TYR 59 Cb -0.05 -0.87 -0.10 0.00 -0.11 0.00 0.00 41.96 40.84 2qr0 s TYR 59 CO 0.02 0.34 0.93 0.00 -1.11 0.00 0.00 175.55 175.73 2qr0 s ALA 60 N -2.30 3.24 0.21 3.71 0.00 0.67 -4.80 121.76 122.48 2qr0 s ALA 60 Ca 0.18 0.52 -0.14 0.00 0.00 0.00 0.00 51.96 52.51 2qr0 s ALA 60 Cb -0.04 -3.17 0.24 0.00 0.00 0.00 0.00 23.12 20.15 2qr0 s ALA 60 CO 0.07 0.19 1.61 -0.44 0.00 0.00 0.00 175.76 177.19 2qr0 h ASP 61 N 3.34 -0.74 0.00 0.00 3.45 -1.94 0.27 116.42 120.81 2qr0 h ASP 61 Ca -0.47 0.21 0.00 0.00 0.43 0.00 0.00 57.03 57.21 2qr0 h ASP 61 Cb 1.19 0.45 0.00 0.00 -0.56 0.00 0.00 39.33 40.42 2qr0 h ASP 61 CO 0.65 -0.24 0.07 0.77 -1.57 0.00 0.00 179.24 178.93 2qr0 h SER 62 N -0.03 0.00 0.00 6.45 4.64 -1.96 -2.52 113.55 120.13 2qr0 h SER 62 Ca 0.31 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.54 2qr0 h SER 62 Cb 0.51 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 2qr0 h SER 62 CO -0.70 0.00 -1.38 0.52 -0.87 0.00 0.00 176.83 174.40 2qr0 n VAL 63 N -2.32 0.36 -1.57 0.95 0.31 0.42 -5.01 118.33 111.47 2qr0 n VAL 63 Ca -0.01 -0.23 -0.53 0.00 -0.01 0.00 0.00 64.34 63.56 2qr0 n VAL 63 Cb 0.11 -0.76 -0.06 0.00 -0.91 0.00 0.00 33.84 32.22 2qr0 n VAL 63 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2qr0 n LYS 64 N -2.17 0.95 0.00 5.55 4.81 0.65 -1.18 118.16 126.77 2qr0 n LYS 64 Ca -0.09 0.34 0.00 0.00 -0.87 0.00 0.00 58.31 57.69 2qr0 n LYS 64 Cb 0.64 -1.93 0.00 0.00 0.02 0.00 0.00 35.03 33.76 2qr0 n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qr0 n GLY 65 N 2.28 3.05 0.13 3.14 0.00 -1.26 -4.83 105.19 107.70 2qr0 n GLY 65 Ca 0.18 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.03 2qr0 n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qr0 n ARG 66 N -0.53 0.57 -2.97 1.61 1.74 -0.33 -5.00 116.66 111.75 2qr0 n ARG 66 Ca 0.00 0.14 -0.21 0.00 -0.77 0.00 0.00 57.85 57.01 2qr0 n ARG 66 Cb 0.00 -1.45 0.02 0.00 -1.02 0.00 0.00 32.46 30.00 2qr0 n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2qr0 s PHE 67 N -2.46 3.07 -0.23 -1.55 0.40 -1.15 -2.34 117.98 113.71 2qr0 s PHE 67 Ca -0.31 0.04 -0.03 0.00 -0.60 0.00 0.00 56.93 56.02 2qr0 s PHE 67 Cb 0.08 -2.39 0.12 0.00 0.51 0.00 0.00 43.02 41.35 2qr0 s PHE 67 CO 0.52 -0.45 0.38 0.99 0.70 0.00 0.00 175.22 177.36 2qr0 s THR 68 N -2.53 -0.60 0.06 0.64 2.01 0.23 -4.93 115.64 110.51 2qr0 s THR 68 Ca 0.51 -0.02 -0.26 0.00 0.31 0.00 0.00 61.69 62.23 2qr0 s THR 68 Cb -0.10 -0.78 -0.06 0.00 0.01 0.00 0.00 72.50 71.58 2qr0 s THR 68 CO 0.36 -0.08 0.81 -0.63 -0.69 0.00 0.00 174.62 174.39 2qr0 s ILE 69 N 2.55 4.68 0.31 1.82 1.01 -1.26 -1.15 121.20 129.15 2qr0 s ILE 69 Ca 0.10 1.72 0.03 0.00 0.00 0.00 0.00 60.65 62.50 2qr0 s ILE 69 Cb -0.15 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.13 2qr0 s ILE 69 CO -0.15 0.36 0.15 -0.94 0.00 0.00 0.00 174.94 174.36 2qr0 s SER 70 N -0.07 1.58 -0.22 3.58 1.04 -0.47 -5.01 113.70 114.13 2qr0 s SER 70 Ca 0.40 -1.55 -0.10 0.00 0.48 0.00 0.00 55.95 55.18 2qr0 s SER 70 Cb -0.21 0.37 0.08 0.00 0.10 0.00 0.00 66.02 66.36 2qr0 s SER 70 CO 0.24 -0.88 0.51 0.00 0.98 0.00 0.00 173.24 174.10 2qr0 s ALA 71 N -3.59 -1.41 -0.72 5.32 0.00 -1.26 -0.79 121.76 119.30 2qr0 s ALA 71 Ca 0.35 1.85 -0.16 0.00 0.00 0.00 0.00 51.96 54.00 2qr0 s ALA 71 Cb 0.05 -1.27 0.16 0.00 0.00 0.00 0.00 23.12 22.06 2qr0 s ALA 71 CO 0.17 -0.52 0.74 0.34 0.00 0.00 0.00 175.76 176.50 2qr0 s ASP 72 N 2.00 6.47 0.36 0.00 -1.08 -0.27 -4.92 116.67 119.23 2qr0 s ASP 72 Ca -0.07 -2.09 0.07 0.00 -0.52 0.00 0.00 52.55 49.95 2qr0 s ASP 72 Cb -0.09 -2.26 0.78 0.00 -1.46 0.00 0.00 42.92 39.89 2qr0 s ASP 72 CO -0.15 -0.84 1.91 0.74 0.52 0.00 0.00 175.17 177.35 2qr0 h THR 73 N 5.46 0.93 0.02 1.71 2.02 -1.97 -1.22 112.91 119.86 2qr0 h THR 73 Ca -0.08 -0.25 0.03 0.00 0.77 0.00 0.00 66.41 66.88 2qr0 h THR 73 Cb 1.06 0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 67.57 2qr0 h THR 73 CO 0.95 0.13 -0.25 -1.28 0.37 0.00 0.00 175.52 175.45 2qr0 h SER 74 N 0.73 -0.73 0.78 4.18 0.87 -1.94 -2.54 113.55 114.89 2qr0 h SER 74 Ca 0.38 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 61.04 2qr0 h SER 74 Cb 0.50 0.29 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 2qr0 h SER 74 CO -0.15 -0.32 0.00 0.29 -0.53 0.00 0.00 176.83 176.12 2qr0 n LYS 75 N -5.37 0.02 -3.21 2.24 4.01 -0.70 -4.90 118.16 110.26 2qr0 n LYS 75 Ca -0.05 0.15 -0.16 0.00 -0.51 0.00 0.00 58.31 57.74 2qr0 n LYS 75 Cb 0.28 -1.54 0.06 0.00 -0.51 0.00 0.00 35.03 33.32 2qr0 n LYS 75 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 2qr0 n ASN 76 N -1.58 -4.28 -3.88 4.39 4.05 -0.55 -4.85 115.26 108.56 2qr0 n ASN 76 Ca 0.05 -0.40 -0.12 0.00 0.45 0.00 0.00 54.58 54.56 2qr0 n ASN 76 Cb 0.26 -3.75 -0.14 0.00 1.23 0.00 0.00 39.78 37.38 2qr0 n ASN 76 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 2qr0 s THR 77 N -3.24 0.04 0.09 -0.44 2.01 -1.07 -1.46 115.64 111.57 2qr0 s THR 77 Ca 0.30 -0.01 0.04 0.00 0.31 0.00 0.00 61.69 62.33 2qr0 s THR 77 Cb -0.13 -0.04 -0.04 0.00 0.01 0.00 0.00 72.50 72.29 2qr0 s THR 77 CO 0.52 0.01 0.02 0.00 -0.69 0.00 0.00 174.62 174.48 2qr0 s ALA 78 N 0.02 3.36 0.01 7.40 0.00 0.15 -1.11 121.76 131.59 2qr0 s ALA 78 Ca -0.00 -1.10 0.04 0.00 0.00 0.00 0.00 51.96 50.91 2qr0 s ALA 78 Cb -0.01 -1.25 -0.01 0.00 0.00 0.00 0.00 23.12 21.85 2qr0 s ALA 78 CO -0.00 0.71 -0.13 0.71 0.00 0.00 0.00 175.76 177.05 2qr0 s TYR 79 N -1.34 1.14 -0.24 0.00 2.02 0.03 0.45 117.35 119.41 2qr0 s TYR 79 Ca 0.27 -0.27 0.02 0.00 -0.37 0.00 0.00 57.07 56.72 2qr0 s TYR 79 Cb -0.12 -0.71 0.05 0.00 -0.40 0.00 0.00 41.96 40.79 2qr0 s TYR 79 CO 0.19 0.00 -0.12 -1.17 -1.57 0.00 0.00 175.55 172.89 2qr0 s LEU 80 N -0.67 3.15 -0.32 -1.29 2.96 0.65 -1.37 118.68 121.79 2qr0 s LEU 80 Ca 0.03 -1.25 -0.17 0.00 -0.22 0.00 0.00 54.13 52.52 2qr0 s LEU 80 Cb -0.06 -1.51 -0.01 0.00 0.50 0.00 0.00 46.19 45.11 2qr0 s LEU 80 CO 0.00 -0.16 0.48 -1.58 -1.32 0.00 0.00 176.35 173.77 2qr0 s GLN 81 N 1.16 3.77 -0.31 1.98 2.00 -0.30 -0.17 119.66 127.78 2qr0 s GLN 81 Ca -0.06 -0.05 -0.04 0.00 -2.00 0.00 0.00 55.36 53.20 2qr0 s GLN 81 Cb -0.19 -3.75 0.04 0.00 0.80 0.00 0.00 33.01 29.91 2qr0 s GLN 81 CO -0.06 -0.51 0.05 -1.64 -0.50 0.00 0.00 175.29 172.62 2qr0 s MET 82 N 2.29 2.64 0.11 1.67 -1.94 0.69 -0.60 119.30 124.16 2qr0 s MET 82 Ca 0.18 -1.14 0.05 0.00 -1.71 0.00 0.00 55.69 53.07 2qr0 s MET 82 Cb -0.16 -3.30 -0.04 0.00 2.01 0.00 0.00 34.83 33.35 2qr0 s MET 82 CO 0.12 -0.59 0.03 -0.80 -0.01 0.00 0.00 175.02 173.77 2qr0 s ASN 82 N 1.35 5.13 -0.99 3.03 0.01 -0.99 -0.69 114.94 121.80 2qr0 s ASN 82 Ca -0.02 -0.18 -0.00 0.00 -0.71 0.00 0.00 52.86 51.95 2qr0 s ASN 82 Cb -0.19 -1.25 -0.00 0.00 0.41 0.00 0.00 41.25 40.22 2qr0 s ASN 82 CO 0.01 0.14 0.83 -0.24 -1.51 0.00 0.00 177.10 176.33 2qr0 n SER 82 N 0.30 -2.06 -4.77 -1.22 2.88 -0.80 -4.61 113.62 103.35 2qr0 n SER 82 Ca -0.10 -0.51 -0.39 0.00 -1.33 0.00 0.00 58.87 56.54 2qr0 n SER 82 Cb 0.53 -4.33 -0.02 0.00 -0.75 0.00 0.00 64.21 59.64 2qr0 n SER 82 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 2qr0 s LEU 82 N -5.60 4.27 0.49 2.46 1.43 -0.84 -4.59 118.68 116.30 2qr0 s LEU 82 Ca 0.00 2.43 0.04 0.00 -1.03 0.00 0.00 54.13 55.58 2qr0 s LEU 82 Cb -0.00 -3.90 -0.01 0.00 0.03 0.00 0.00 46.19 42.30 2qr0 s LEU 82 CO 0.60 -0.62 0.16 -0.13 0.23 0.00 0.00 176.35 176.59 2qr0 s ARG 83 N -2.12 2.20 0.24 1.70 0.52 -1.26 -0.62 118.95 119.61 2qr0 s ARG 83 Ca 0.54 -2.15 -0.04 0.00 -0.52 0.00 0.00 55.73 53.57 2qr0 s ARG 83 Cb -0.33 -1.81 0.27 0.00 0.52 0.00 0.00 34.95 33.61 2qr0 s ARG 83 CO 0.42 -0.36 1.77 0.00 0.02 0.00 0.00 175.30 177.15 2qr0 h ALA 84 N 1.22 1.08 0.00 2.13 0.00 -1.97 -2.57 119.26 119.15 2qr0 h ALA 84 Ca -0.42 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.23 2qr0 h ALA 84 Cb 1.29 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2qr0 h ALA 84 CO 0.69 0.60 -0.14 1.05 0.00 0.00 0.00 179.25 181.45 2qr0 h GLU 85 N 0.89 0.00 0.00 0.00 9.09 -1.96 -2.70 114.58 119.90 2qr0 h GLU 85 Ca 0.19 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.60 2qr0 h GLU 85 Cb 0.37 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.47 2qr0 h GLU 85 CO 0.01 0.14 0.00 -0.25 0.05 0.00 0.00 179.01 178.96 2qr0 n ASP 86 N -3.55 0.00 -4.67 3.06 8.00 -0.97 -4.68 116.55 113.74 2qr0 n ASP 86 Ca -0.01 0.38 -0.42 0.00 0.71 0.00 0.00 54.79 55.45 2qr0 n ASP 86 Cb 0.28 -0.44 -0.03 0.00 -0.02 0.00 0.00 41.12 40.91 2qr0 n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2qr0 s THR 87 N -2.88 3.08 0.09 -3.53 2.01 -1.02 -4.84 115.64 108.55 2qr0 s THR 87 Ca 0.09 0.23 -0.25 0.00 0.31 0.00 0.00 61.69 62.07 2qr0 s THR 87 Cb 0.09 -3.15 0.09 0.00 0.01 0.00 0.00 72.50 69.54 2qr0 s THR 87 CO 0.25 -0.02 1.16 0.00 -0.69 0.00 0.00 174.62 175.32 2qr0 s ALA 88 N 3.94 -2.01 -0.23 7.40 0.00 -0.43 -4.64 121.76 125.78 2qr0 s ALA 88 Ca 0.82 -0.18 -0.10 0.00 0.00 0.00 0.00 51.96 52.51 2qr0 s ALA 88 Cb -0.41 0.83 -0.05 0.00 0.00 0.00 0.00 23.12 23.50 2qr0 s ALA 88 CO 0.37 -1.11 0.14 0.08 0.00 0.00 0.00 175.76 175.24 2qr0 s VAL 89 N -2.07 5.16 -0.29 0.00 1.01 -0.18 -1.32 120.40 122.70 2qr0 s VAL 89 Ca 0.26 0.11 -0.09 0.00 0.00 0.00 0.00 61.98 62.25 2qr0 s VAL 89 Cb -0.02 -3.40 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 2qr0 s VAL 89 CO 0.03 0.36 0.14 -0.31 0.00 0.00 0.00 175.10 175.32 2qr0 s TYR 90 N 1.01 3.16 -0.09 5.22 1.51 0.11 -0.54 117.35 127.74 2qr0 s TYR 90 Ca 0.07 -0.40 -0.01 0.00 -1.01 0.00 0.00 57.07 55.71 2qr0 s TYR 90 Cb -0.14 -2.34 -0.03 0.00 -0.11 0.00 0.00 41.96 39.35 2qr0 s TYR 90 CO 0.04 -0.38 -0.02 0.71 -1.11 0.00 0.00 175.55 174.79 2qr0 s TYR 91 N 1.64 3.08 -0.07 2.71 1.51 0.24 -1.90 117.35 124.56 2qr0 s TYR 91 Ca 0.06 0.10 -0.02 0.00 -1.01 0.00 0.00 57.07 56.19 2qr0 s TYR 91 Cb -0.16 -1.79 -0.04 0.00 -0.11 0.00 0.00 41.96 39.86 2qr0 s TYR 91 CO 0.07 0.38 0.03 0.00 -1.11 0.00 0.00 175.55 174.92 2qr0 s ALA 93 N -0.98 -0.43 0.49 0.00 0.00 -0.29 -0.89 121.76 119.66 2qr0 s ALA 93 Ca 0.16 0.62 -0.12 0.00 0.00 0.00 0.00 51.96 52.62 2qr0 s ALA 93 Cb -0.12 -0.38 -0.06 0.00 0.00 0.00 0.00 23.12 22.56 2qr0 s ALA 93 CO 0.06 -0.12 0.90 -0.98 0.00 0.00 0.00 175.76 175.62 2qr0 s ARG 94 N 0.49 3.77 -0.15 0.00 1.04 -0.46 -0.60 118.95 123.04 2qr0 s ARG 94 Ca -0.03 0.66 -0.12 0.00 -1.04 0.00 0.00 55.73 55.19 2qr0 s ARG 94 Cb -0.05 -2.24 -0.05 0.00 -2.04 0.00 0.00 34.95 30.58 2qr0 s ARG 94 CO -0.02 -0.24 0.25 -0.47 -0.04 0.00 0.00 175.30 174.77 2qr0 s TYR 95 N -2.67 3.48 0.21 5.89 5.04 -0.84 -2.77 117.35 125.70 2qr0 s TYR 95 Ca 0.54 0.55 0.03 0.00 -2.44 0.00 0.00 57.07 55.76 2qr0 s TYR 95 Cb -0.10 -2.25 0.04 0.00 0.35 0.00 0.00 41.96 39.99 2qr0 s TYR 95 CO 0.38 0.34 0.30 0.98 -1.34 0.00 0.00 175.55 176.20 2qr0 n TYR 96 N 3.26 -2.79 -1.68 4.97 9.36 0.13 -4.84 117.16 125.57 2qr0 n TYR 96 Ca -0.14 -0.75 -0.47 0.00 3.32 0.00 0.00 57.90 59.86 2qr0 n TYR 96 Cb 0.52 -0.20 -0.04 0.00 -0.63 0.00 0.00 39.34 38.98 2qr0 n TYR 96 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2qr0 n GLY 97 N 2.43 1.48 2.30 2.98 0.00 -1.26 -2.61 105.19 110.51 2qr0 n GLY 97 Ca 0.06 0.82 -0.17 0.00 0.00 0.00 0.00 46.02 46.73 2qr0 n GLY 97 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2qr0 n THR 98 N 4.92 -0.13 0.00 2.61 5.66 -1.26 -4.59 114.28 121.49 2qr0 n THR 98 Ca 0.21 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.21 2qr0 n THR 98 Cb 0.31 -1.72 0.00 0.00 -1.55 0.00 0.00 70.33 67.37 2qr0 n THR 98 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2qr0 n GLY 99 N -0.41 0.68 0.82 1.09 0.00 -1.07 -5.17 105.19 101.13 2qr0 n GLY 99 Ca -0.17 -2.17 0.07 0.00 0.00 0.00 0.00 46.02 43.75 2qr0 n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qr0 n ALA 100 N -1.00 -1.90 -3.48 4.61 0.00 -1.26 -3.38 120.51 114.10 2qr0 n ALA 100 Ca 0.00 0.46 -0.26 0.00 0.00 0.00 0.00 53.44 53.64 2qr0 n ALA 100 Cb 0.00 -0.92 -0.17 0.00 0.00 0.00 0.00 19.45 18.36 2qr0 n ALA 100 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2qr0 s MET 100 N -4.01 1.83 -0.25 0.00 1.00 -1.26 0.21 119.30 116.82 2qr0 s MET 100 Ca 0.00 -0.45 -0.04 0.00 0.00 0.00 0.00 55.69 55.20 2qr0 s MET 100 Cb 0.00 -1.52 -0.14 0.00 0.00 0.00 0.00 34.83 33.18 2qr0 s MET 100 CO 0.00 0.02 -0.26 -0.40 0.00 0.00 0.00 175.02 174.38 2qr0 n ASP 101 N 3.87 2.01 -4.36 3.03 5.75 -1.11 -4.89 116.55 120.84 2qr0 n ASP 101 Ca -0.22 0.05 -0.34 0.00 -0.01 0.00 0.00 54.79 54.26 2qr0 n ASP 101 Cb 0.52 -0.53 -0.14 0.00 -1.03 0.00 0.00 41.12 39.94 2qr0 n ASP 101 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 2qr0 s TYR 102 N -2.48 2.95 0.12 2.11 1.51 -1.26 -5.02 117.35 115.28 2qr0 s TYR 102 Ca -0.34 -0.76 0.08 0.00 -1.01 0.00 0.00 57.07 55.04 2qr0 s TYR 102 Cb 0.10 -2.04 -0.04 0.00 -0.11 0.00 0.00 41.96 39.88 2qr0 s TYR 102 CO 0.51 -0.39 -0.11 -1.58 -1.11 0.00 0.00 175.55 172.86 2qr0 s TRP 103 N 1.09 2.68 0.75 2.71 0.52 -1.26 -1.35 118.94 124.08 2qr0 s TRP 103 Ca 0.01 -0.19 -0.11 0.00 0.02 0.00 0.00 56.10 55.83 2qr0 s TRP 103 Cb -0.15 -1.39 0.04 0.00 -1.15 0.00 0.00 33.47 30.83 2qr0 s TRP 103 CO -0.00 0.43 1.09 0.20 0.02 0.00 0.00 176.95 178.69 2qr0 s GLY 104 N -2.31 1.63 0.50 0.98 0.00 -0.07 -4.60 107.32 103.45 2qr0 s GLY 104 Ca 0.21 -0.24 0.15 0.00 0.00 0.00 0.00 44.72 44.85 2qr0 s GLY 104 CO 0.13 0.15 2.12 0.06 0.00 0.00 0.00 173.10 175.57 2qr0 h GLN 105 N -0.88 0.03 0.00 2.90 -0.00 -1.91 -3.45 115.11 111.80 2qr0 h GLN 105 Ca -0.46 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.19 2qr0 h GLN 105 Cb 1.26 -0.01 0.00 0.00 -0.00 0.00 0.00 27.48 28.73 2qr0 h GLN 105 CO 0.61 0.04 0.00 0.41 -0.00 0.00 0.00 178.83 179.89 2qr0 n GLY 106 N -1.46 0.35 3.71 0.06 0.00 -1.26 -5.04 105.19 101.54 2qr0 n GLY 106 Ca -0.03 -1.30 -0.31 0.00 0.00 0.00 0.00 46.02 44.38 2qr0 n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qr0 s THR 107 N -0.46 4.21 -0.39 2.61 -4.23 -0.80 -4.88 115.64 111.70 2qr0 s THR 107 Ca 0.00 -0.76 -0.16 0.00 -1.18 0.00 0.00 61.69 59.60 2qr0 s THR 107 Cb 0.00 -2.96 0.01 0.00 1.34 0.00 0.00 72.50 70.89 2qr0 s THR 107 CO 0.00 0.24 0.35 -0.22 -0.54 0.00 0.00 174.62 174.45 2qr0 s LEU 108 N -1.99 4.81 -0.29 4.79 1.98 -1.26 0.09 118.68 126.80 2qr0 s LEU 108 Ca 0.24 -0.62 -0.11 0.00 -2.89 0.00 0.00 54.13 50.75 2qr0 s LEU 108 Cb -0.12 -2.27 -0.03 0.00 0.66 0.00 0.00 46.19 44.43 2qr0 s LEU 108 CO 0.16 -0.44 0.18 -0.69 -1.89 0.00 0.00 176.35 173.66 2qr0 s VAL 109 N 1.92 5.02 -0.28 1.68 1.01 -0.44 -2.20 120.40 127.10 2qr0 s VAL 109 Ca 0.09 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.01 2qr0 s VAL 109 Cb -0.18 -3.46 0.08 0.00 0.00 0.00 0.00 36.38 32.82 2qr0 s VAL 109 CO 0.12 0.17 -0.03 0.28 0.00 0.00 0.00 175.10 175.64 2qr0 s THR 110 N 1.70 1.91 -0.36 3.92 -1.32 -0.38 -1.32 115.64 119.79 2qr0 s THR 110 Ca 0.06 -1.72 -0.23 0.00 -1.21 0.00 0.00 61.69 58.59 2qr0 s THR 110 Cb -0.16 -2.21 0.01 0.00 -1.51 0.00 0.00 72.50 68.62 2qr0 s THR 110 CO 0.09 -0.29 0.77 -0.69 -2.21 0.00 0.00 174.62 172.30 2qr0 s VAL 111 N 1.17 4.74 -0.01 5.08 1.01 -1.26 -2.68 120.40 128.45 2qr0 s VAL 111 Ca -0.00 0.87 -0.29 0.00 0.00 0.00 0.00 61.98 62.55 2qr0 s VAL 111 Cb -0.19 -4.20 0.07 0.00 0.00 0.00 0.00 36.38 32.06 2qr0 s VAL 111 CO -0.08 -0.42 0.68 -0.55 0.00 0.00 0.00 175.10 174.73 2qr0 s SER 112 N 1.83 -0.62 0.00 3.32 0.15 -0.78 -4.74 113.70 112.86 2qr0 s SER 112 Ca 0.31 0.54 0.28 0.00 0.70 0.00 0.00 55.95 57.78 2qr0 s SER 112 Cb -0.13 0.54 1.13 0.00 -1.71 0.00 0.00 66.02 65.84 2qr0 s SER 112 CO 0.17 -0.67 1.83 -1.54 1.20 0.00 0.00 173.24 174.23 2qr0 n SER 113 N 0.62 0.20 -4.68 5.45 3.41 -1.26 -3.86 113.62 113.50 2qr0 n SER 113 Ca -0.18 0.04 -0.30 0.00 -0.26 0.00 0.00 58.87 58.18 2qr0 n SER 113 Cb 0.59 -0.23 0.16 0.00 -0.26 0.00 0.00 64.21 64.47 2qr0 n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qr0 s ALA 114 N -2.83 1.22 0.71 7.33 0.00 -1.26 -5.01 121.76 121.92 2qr0 s ALA 114 Ca 0.18 0.03 -0.11 0.00 0.00 0.00 0.00 51.96 52.06 2qr0 s ALA 114 Cb 0.19 -3.24 0.02 0.00 0.00 0.00 0.00 23.12 20.09 2qr0 s ALA 114 CO 0.54 -2.65 1.10 -1.12 0.00 0.00 0.00 175.76 173.64 2qr0 s SER 115 N -3.16 5.35 -0.18 0.00 0.01 -1.26 -5.03 113.70 109.43 2qr0 s SER 115 Ca 0.65 1.09 -0.14 0.00 1.31 0.00 0.00 55.95 58.85 2qr0 s SER 115 Cb -0.20 -1.86 -0.04 0.00 0.21 0.00 0.00 66.02 64.13 2qr0 s SER 115 CO 0.58 -1.39 0.31 -0.89 0.41 0.00 0.00 173.24 172.26 2qr0 s THR 116 N -3.38 5.29 -0.06 1.44 2.01 -1.26 -4.75 115.64 114.93 2qr0 s THR 116 Ca 0.58 0.56 0.03 0.00 0.31 0.00 0.00 61.69 63.17 2qr0 s THR 116 Cb -0.11 -3.64 0.01 0.00 0.01 0.00 0.00 72.50 68.76 2qr0 s THR 116 CO 0.51 0.36 -0.14 -0.54 -0.69 0.00 0.00 174.62 174.11 2qr0 s LYS 117 N 0.70 1.83 0.43 4.92 -0.14 -0.74 -4.97 119.74 121.77 2qr0 s LYS 117 Ca 0.16 -0.50 -0.16 0.00 -1.36 0.00 0.00 55.97 54.11 2qr0 s LYS 117 Cb -0.13 -1.51 -0.09 0.00 -1.68 0.00 0.00 37.83 34.42 2qr0 s LYS 117 CO 0.05 0.10 0.88 0.20 -0.76 0.00 0.00 175.35 175.81 2qr0 s GLY 118 N 0.46 2.17 0.41 -3.33 0.00 -1.26 -1.64 107.32 104.13 2qr0 s GLY 118 Ca -0.12 0.12 -0.22 0.00 0.00 0.00 0.00 44.72 44.50 2qr0 s GLY 118 CO 0.04 0.36 0.95 2.56 0.00 0.00 0.00 173.10 177.01 2qr0 s PRO 119 N -3.59 4.28 -0.01 2.90 0.04 -1.26 -4.62 135.00 132.75 2qr0 s PRO 119 Ca 0.57 1.15 -0.17 0.00 0.04 0.00 0.00 61.00 62.59 2qr0 s PRO 119 Cb -0.10 -2.27 -0.06 0.00 0.04 0.00 0.00 34.50 32.11 2qr0 s PRO 119 CO 0.24 0.02 0.47 -1.12 0.04 0.00 0.00 177.00 176.65 2qr0 s SER 120 N -2.10 6.84 -0.21 6.66 0.01 -0.69 -4.95 113.70 119.27 2qr0 s SER 120 Ca 0.60 1.00 -0.00 0.00 1.31 0.00 0.00 55.95 58.86 2qr0 s SER 120 Cb -0.10 -2.29 0.02 0.00 0.21 0.00 0.00 66.02 63.86 2qr0 s SER 120 CO 0.15 0.23 -0.13 -0.69 0.41 0.00 0.00 173.24 173.20 2qr0 s VAL 121 N -0.63 2.53 -0.04 3.43 1.01 -1.26 -1.27 120.40 124.17 2qr0 s VAL 121 Ca 0.26 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.40 2qr0 s VAL 121 Cb -0.17 -2.16 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 2qr0 s VAL 121 CO 0.14 0.41 -0.22 -0.36 0.00 0.00 0.00 175.10 175.07 2qr0 s PHE 122 N 1.33 2.47 0.20 5.22 0.08 -0.12 -4.97 117.98 122.19 2qr0 s PHE 122 Ca 0.03 -0.46 -0.30 0.00 0.12 0.00 0.00 56.93 56.33 2qr0 s PHE 122 Cb -0.14 -1.57 -0.08 0.00 -0.57 0.00 0.00 43.02 40.65 2qr0 s PHE 122 CO -0.09 -0.04 0.96 -1.25 -0.10 0.00 0.00 175.22 174.71 2qr0 s PRO 123 N -0.47 4.79 -0.76 0.24 0.04 -1.26 0.19 135.00 137.76 2qr0 s PRO 123 Ca 0.06 1.50 -0.17 0.00 0.04 0.00 0.00 61.00 62.43 2qr0 s PRO 123 Cb -0.11 -3.31 0.16 0.00 0.04 0.00 0.00 34.50 31.28 2qr0 s PRO 123 CO 0.01 0.39 0.81 -0.51 0.04 0.00 0.00 177.00 177.74 2qr0 s LEU 124 N -0.78 5.93 0.25 -3.56 1.43 0.11 -4.85 118.68 117.20 2qr0 s LEU 124 Ca 0.43 -2.11 -0.30 0.00 -1.03 0.00 0.00 54.13 51.13 2qr0 s LEU 124 Cb -0.26 -2.28 -0.09 0.00 0.03 0.00 0.00 46.19 43.59 2qr0 s LEU 124 CO 0.32 -0.87 0.99 0.00 0.23 0.00 0.00 176.35 177.02 2qr0 s ALA 125 N 1.59 3.36 0.81 4.21 0.00 -1.26 -1.40 121.76 129.07 2qr0 s ALA 125 Ca 0.18 0.71 -0.11 0.00 0.00 0.00 0.00 51.96 52.73 2qr0 s ALA 125 Cb -0.15 -3.25 0.08 0.00 0.00 0.00 0.00 23.12 19.80 2qr0 s ALA 125 CO -0.04 0.09 1.10 -1.25 0.00 0.00 0.00 175.76 175.66 2qr0 s PRO 126 N -1.24 1.97 0.00 0.00 0.04 -1.26 -4.96 135.00 129.55 2qr0 s PRO 126 Ca 0.42 0.68 0.00 0.00 0.04 0.00 0.00 61.00 62.14 2qr0 s PRO 126 Cb -0.28 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.36 2qr0 s PRO 126 CO 0.35 -1.71 0.00 0.45 0.04 0.00 0.00 177.00 176.13 2qr0 n SER 127 N -3.50 0.00 -4.49 6.66 2.88 -1.26 -4.72 113.62 109.19 2qr0 n SER 127 Ca 0.07 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.30 2qr0 n SER 127 Cb 0.56 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.90 2qr0 n SER 127 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2qr0 s SER 128 N 0.37 4.04 0.00 -3.46 0.01 -1.26 -5.07 113.70 108.32 2qr0 s SER 128 Ca 0.00 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 56.94 2qr0 s SER 128 Cb 0.00 -0.76 0.00 0.00 0.21 0.00 0.00 66.02 65.47 2qr0 s SER 128 CO 0.00 0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.54 2qr0 n GLY 134 N 1.67 0.00 3.17 3.44 0.00 -1.26 -5.02 105.19 107.19 2qr0 n GLY 134 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 2qr0 n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qr0 s THR 135 N 0.00 1.84 -0.07 2.61 2.01 -1.26 -3.27 115.64 117.50 2qr0 s THR 135 Ca 0.00 -0.88 -0.01 0.00 0.31 0.00 0.00 61.69 61.11 2qr0 s THR 135 Cb 0.00 -1.61 -0.03 0.00 0.01 0.00 0.00 72.50 70.87 2qr0 s THR 135 CO 0.00 0.51 0.00 0.00 -0.69 0.00 0.00 174.62 174.44 2qr0 s ALA 136 N 0.48 3.30 0.05 7.40 0.00 0.07 -4.89 121.76 128.17 2qr0 s ALA 136 Ca -0.16 -0.84 0.06 0.00 0.00 0.00 0.00 51.96 51.02 2qr0 s ALA 136 Cb -0.17 -1.46 -0.03 0.00 0.00 0.00 0.00 23.12 21.46 2qr0 s ALA 136 CO 0.06 0.60 -0.13 0.00 0.00 0.00 0.00 175.76 176.30 2qr0 s ALA 137 N -0.93 2.80 0.24 0.00 0.00 -1.26 -0.46 121.76 122.15 2qr0 s ALA 137 Ca 0.15 -1.16 -0.17 0.00 0.00 0.00 0.00 51.96 50.78 2qr0 s ALA 137 Cb -0.11 -0.89 0.01 0.00 0.00 0.00 0.00 23.12 22.13 2qr0 s ALA 137 CO 0.04 0.60 0.57 -0.48 0.00 0.00 0.00 175.76 176.49 2qr0 s LEU 138 N -1.63 0.06 0.00 0.00 0.05 -0.21 -4.07 118.68 112.89 2qr0 s LEU 138 Ca 0.17 -0.70 -0.03 0.00 0.05 0.00 0.00 54.13 53.63 2qr0 s LEU 138 Cb -0.11 2.19 0.01 0.00 -2.05 0.00 0.00 46.19 46.23 2qr0 s LEU 138 CO 0.08 -1.18 0.13 0.61 -0.55 0.00 0.00 176.35 175.43 2qr0 n GLY 139 N -0.40 0.85 3.20 -3.48 0.00 -0.50 0.75 105.19 105.62 2qr0 n GLY 139 Ca -0.05 -0.89 -0.27 0.00 0.00 0.00 0.00 46.02 44.81 2qr0 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qr0 s LEU 141 N -0.29 3.72 -0.64 0.00 2.96 0.13 -0.23 118.68 124.34 2qr0 s LEU 141 Ca 0.03 -0.09 -0.05 0.00 -0.22 0.00 0.00 54.13 53.80 2qr0 s LEU 141 Cb -0.10 -2.01 0.17 0.00 0.50 0.00 0.00 46.19 44.75 2qr0 s LEU 141 CO 0.01 -0.02 0.47 -0.69 -1.32 0.00 0.00 176.35 174.80 2qr0 s VAL 142 N 1.53 3.97 0.02 1.68 1.01 0.52 -0.94 120.40 128.18 2qr0 s VAL 142 Ca 0.06 -2.81 -0.00 0.00 0.00 0.00 0.00 61.98 59.23 2qr0 s VAL 142 Cb -0.15 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 2qr0 s VAL 142 CO 0.06 -0.89 0.12 -0.75 0.00 0.00 0.00 175.10 173.64 2qr0 s LYS 143 N 0.07 3.15 -0.52 2.72 2.20 -0.39 -1.46 119.74 125.51 2qr0 s LYS 143 Ca 0.16 -0.49 -0.13 0.00 -0.36 0.00 0.00 55.97 55.16 2qr0 s LYS 143 Cb -0.19 -2.90 0.02 0.00 -1.51 0.00 0.00 37.83 33.24 2qr0 s LYS 143 CO -0.04 0.63 0.63 -0.25 -0.36 0.00 0.00 175.35 175.96 2qr0 n ASP 144 N 0.88 -7.78 -4.10 1.43 8.00 -0.76 -1.70 116.55 112.53 2qr0 n ASP 144 Ca -0.11 0.33 -0.08 0.00 0.71 0.00 0.00 54.79 55.65 2qr0 n ASP 144 Cb 0.52 -5.18 -0.10 0.00 -0.02 0.00 0.00 41.12 36.35 2qr0 n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2qr0 s TYR 145 N -2.67 0.59 -0.24 1.24 1.13 0.24 -4.05 117.35 113.58 2qr0 s TYR 145 Ca 0.19 -1.09 -0.26 0.00 -1.41 0.00 0.00 57.07 54.49 2qr0 s TYR 145 Cb -0.05 -0.40 0.09 0.00 -1.10 0.00 0.00 41.96 40.50 2qr0 s TYR 145 CO 0.77 -0.42 0.84 0.12 -2.51 0.00 0.00 175.55 174.35 2qr0 s PHE 146 N -3.95 -0.64 0.00 -3.49 2.19 -0.65 0.55 117.98 111.98 2qr0 s PHE 146 Ca 0.11 1.49 0.00 0.00 0.33 0.00 0.00 56.93 58.86 2qr0 s PHE 146 Cb 0.08 0.33 0.00 0.00 -1.31 0.00 0.00 43.02 42.12 2qr0 s PHE 146 CO -0.07 -0.35 0.00 -0.35 1.83 0.00 0.00 175.22 176.27 2qr0 n PRO 147 N 2.19 0.71 -1.37 10.12 -0.04 -1.26 -1.78 135.00 143.57 2qr0 n PRO 147 Ca -0.14 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.00 2qr0 n PRO 147 Cb 0.56 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 34.11 2qr0 n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2qr0 s GLU 148 N -2.06 2.18 0.39 0.54 0.41 -1.26 -4.75 118.70 114.15 2qr0 s GLU 148 Ca 0.00 1.47 0.08 0.00 -0.41 0.00 0.00 54.97 56.10 2qr0 s GLU 148 Cb 0.00 -1.87 -0.02 0.00 -1.78 0.00 0.00 34.13 30.46 2qr0 s GLU 148 CO 0.00 -1.74 0.34 -1.25 -0.49 0.00 0.00 175.26 172.12 2qr0 s PRO 149 N -4.33 2.59 -0.05 0.39 0.04 -1.26 -4.98 135.00 127.40 2qr0 s PRO 149 Ca 0.68 -1.45 0.06 0.00 0.04 0.00 0.00 61.00 60.33 2qr0 s PRO 149 Cb -0.22 -2.41 -0.01 0.00 0.04 0.00 0.00 34.50 31.90 2qr0 s PRO 149 CO 0.49 -0.08 -0.25 0.08 0.04 0.00 0.00 177.00 177.27 2qr0 s VAL 150 N -2.41 2.05 -0.09 -0.36 1.01 -1.26 -4.47 120.40 114.86 2qr0 s VAL 150 Ca 0.45 -1.07 -0.00 0.00 0.00 0.00 0.00 61.98 61.36 2qr0 s VAL 150 Cb -0.04 -1.73 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 2qr0 s VAL 150 CO 0.27 0.57 -0.07 0.42 0.00 0.00 0.00 175.10 176.30 2qr0 s THR 151 N -0.19 3.68 -0.03 3.92 -4.23 -0.89 -5.00 115.64 112.90 2qr0 s THR 151 Ca -0.03 -0.47 0.04 0.00 -1.18 0.00 0.00 61.69 60.06 2qr0 s THR 151 Cb -0.13 -2.53 -0.01 0.00 1.34 0.00 0.00 72.50 71.17 2qr0 s THR 151 CO 0.03 0.57 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.84 2qr0 s VAL 152 N -0.45 1.28 0.03 2.29 1.01 -1.26 -1.37 120.40 121.94 2qr0 s VAL 152 Ca 0.07 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.37 2qr0 s VAL 152 Cb -0.12 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.14 2qr0 s VAL 152 CO 0.02 0.37 0.01 -0.94 0.00 0.00 0.00 175.10 174.56 2qr0 s SER 153 N -0.08 0.28 -0.13 3.32 1.04 -0.71 -5.00 113.70 112.41 2qr0 s SER 153 Ca -0.00 -0.62 -0.03 0.00 0.48 0.00 0.00 55.95 55.78 2qr0 s SER 153 Cb -0.09 0.17 -0.03 0.00 0.10 0.00 0.00 66.02 66.17 2qr0 s SER 153 CO 0.01 -0.44 -0.04 0.26 0.98 0.00 0.00 173.24 174.01 2qr0 s TRP 154 N -2.40 3.03 -1.53 5.02 0.52 -1.26 0.56 118.94 122.87 2qr0 s TRP 154 Ca -0.07 -0.18 -0.10 0.00 0.02 0.00 0.00 56.10 55.77 2qr0 s TRP 154 Cb -0.03 -1.90 0.08 0.00 -1.15 0.00 0.00 33.47 30.47 2qr0 s TRP 154 CO -0.04 0.09 0.72 0.09 0.02 0.00 0.00 176.95 177.82 2qr0 n ASN 155 N 3.14 -2.55 -1.29 2.95 3.02 -0.55 -2.26 115.26 117.72 2qr0 n ASN 155 Ca -0.18 -0.93 -0.16 0.00 -0.03 0.00 0.00 54.58 53.28 2qr0 n ASN 155 Cb 0.53 -3.27 -0.06 0.00 -0.61 0.00 0.00 39.78 36.36 2qr0 n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2qr0 n SER 156 N -2.84 -4.92 0.00 6.41 7.64 -1.26 -1.97 113.62 116.68 2qr0 n SER 156 Ca -0.09 0.36 0.00 0.00 1.01 0.00 0.00 58.87 60.15 2qr0 n SER 156 Cb 0.58 -3.86 0.00 0.00 -1.01 0.00 0.00 64.21 59.92 2qr0 n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qr0 n GLY 157 N -1.00 0.56 0.00 0.23 0.00 -0.96 -4.98 105.19 99.03 2qr0 n GLY 157 Ca -0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.99 2qr0 n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qr0 n ALA 158 N -1.33 2.45 -3.71 4.61 0.00 -0.83 -4.66 120.51 117.05 2qr0 n ALA 158 Ca 0.00 -0.16 -0.19 0.00 0.00 0.00 0.00 53.44 53.10 2qr0 n ALA 158 Cb 0.00 -1.43 -0.17 0.00 0.00 0.00 0.00 19.45 17.85 2qr0 n ALA 158 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2qr0 s LEU 159 N -2.13 0.49 0.00 0.00 2.96 -1.17 -5.00 118.68 113.84 2qr0 s LEU 159 Ca 0.37 0.05 0.00 0.00 -0.22 0.00 0.00 54.13 54.33 2qr0 s LEU 159 Cb 0.18 -0.14 0.00 0.00 0.50 0.00 0.00 46.19 46.73 2qr0 s LEU 159 CO 0.33 -0.20 0.00 0.35 -1.32 0.00 0.00 176.35 175.51 2qr0 n THR 160 N 4.90 0.00 -2.30 3.68 -2.24 -1.26 -4.40 114.28 112.65 2qr0 n THR 160 Ca -0.12 -0.03 -0.42 0.00 -2.27 0.00 0.00 64.05 61.20 2qr0 n THR 160 Cb 0.50 0.34 -0.03 0.00 -2.10 0.00 0.00 70.33 69.05 2qr0 n THR 160 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2qr0 s SER 161 N -0.52 6.89 -0.56 3.42 0.15 -1.26 -3.18 113.70 118.63 2qr0 s SER 161 Ca 0.00 1.93 0.00 0.00 0.70 0.00 0.00 55.95 58.58 2qr0 s SER 161 Cb 0.00 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2qr0 s SER 161 CO 0.00 -0.75 0.00 0.61 1.20 0.00 0.00 173.24 174.30 2qr0 n GLY 162 N 3.67 0.27 3.66 9.45 0.00 -1.26 -4.74 105.19 116.24 2qr0 n GLY 162 Ca 0.14 -0.66 -0.35 0.00 0.00 0.00 0.00 46.02 45.15 2qr0 n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qr0 s VAL 163 N -2.29 4.76 -0.12 1.61 1.01 -1.19 -1.01 120.40 123.17 2qr0 s VAL 163 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 61.98 61.93 2qr0 s VAL 163 Cb 0.00 -3.12 0.02 0.00 0.00 0.00 0.00 36.38 33.28 2qr0 s VAL 163 CO 0.00 0.49 -0.11 -1.00 0.00 0.00 0.00 175.10 174.48 2qr0 s HIS 164 N 0.10 1.78 -0.35 5.22 3.76 0.27 -5.01 115.29 121.06 2qr0 s HIS 164 Ca 0.05 -0.90 -0.06 0.00 -0.15 0.00 0.00 55.06 54.00 2qr0 s HIS 164 Cb -0.12 -1.36 0.05 0.00 1.11 0.00 0.00 32.58 32.25 2qr0 s HIS 164 CO 0.01 -0.53 0.12 0.99 -0.85 0.00 0.00 174.74 174.48 2qr0 s THR 165 N 1.40 3.74 0.57 1.30 2.01 -1.26 -0.48 115.64 122.92 2qr0 s THR 165 Ca 0.01 -1.23 -0.18 0.00 0.31 0.00 0.00 61.69 60.60 2qr0 s THR 165 Cb -0.13 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 2qr0 s THR 165 CO -0.07 -0.24 1.10 -0.36 -0.69 0.00 0.00 174.62 174.37 2qr0 s PHE 166 N 1.38 2.75 0.63 4.92 0.40 -0.70 -5.00 117.98 122.36 2qr0 s PHE 166 Ca -0.01 1.55 -0.18 0.00 -0.60 0.00 0.00 56.93 57.69 2qr0 s PHE 166 Cb -0.20 -3.19 -0.02 0.00 0.51 0.00 0.00 43.02 40.12 2qr0 s PHE 166 CO 0.02 -1.43 1.18 -2.30 0.70 0.00 0.00 175.22 173.39 2qr0 n PRO 167 N -1.65 1.05 -2.23 0.24 -0.02 -1.26 -4.59 135.00 126.54 2qr0 n PRO 167 Ca 0.11 0.41 -0.41 0.00 -2.02 0.00 0.00 63.50 61.59 2qr0 n PRO 167 Cb 0.52 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 2qr0 n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qr0 s ALA 168 N -1.43 3.49 -0.11 3.55 0.00 -1.26 -4.77 121.76 121.23 2qr0 s ALA 168 Ca 0.80 1.13 -0.04 0.00 0.00 0.00 0.00 51.96 53.86 2qr0 s ALA 168 Cb -0.39 -3.45 -0.04 0.00 0.00 0.00 0.00 23.12 19.24 2qr0 s ALA 168 CO 0.43 -0.50 0.04 0.08 0.00 0.00 0.00 175.76 175.80 2qr0 s VAL 169 N -0.73 4.65 -0.30 0.00 1.01 -0.18 -4.94 120.40 119.90 2qr0 s VAL 169 Ca 0.50 -0.11 -0.18 0.00 0.00 0.00 0.00 61.98 62.20 2qr0 s VAL 169 Cb -0.37 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.00 2qr0 s VAL 169 CO 0.46 0.58 0.50 -0.22 0.00 0.00 0.00 175.10 176.42 2qr0 s LEU 170 N -0.69 4.16 0.79 3.92 0.20 -1.26 -1.55 118.68 124.24 2qr0 s LEU 170 Ca 0.12 0.28 -0.10 0.00 0.69 0.00 0.00 54.13 55.12 2qr0 s LEU 170 Cb -0.12 -2.61 0.10 0.00 -0.43 0.00 0.00 46.19 43.13 2qr0 s LEU 170 CO 0.02 -0.35 1.12 -1.10 -0.29 0.00 0.00 176.35 175.75 2qr0 s GLN 171 N 2.32 1.79 0.47 1.98 -0.21 -0.75 -4.97 119.66 120.29 2qr0 s GLN 171 Ca 0.20 -0.24 0.20 0.00 0.02 0.00 0.00 55.36 55.53 2qr0 s GLN 171 Cb -0.16 -2.05 1.18 0.00 1.00 0.00 0.00 33.01 32.98 2qr0 s GLN 171 CO 0.11 -1.59 2.02 0.66 -2.12 0.00 0.00 175.29 174.37 2qr0 h SER 172 N -0.93 0.00 0.36 5.90 4.64 -1.97 -2.35 113.55 119.19 2qr0 h SER 172 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2qr0 h SER 172 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2qr0 h SER 172 CO 0.56 0.17 0.00 -1.54 -0.87 0.00 0.00 176.83 175.15 2qr0 n SER 173 N -4.02 0.00 0.00 4.97 3.41 -1.26 -4.86 113.62 111.86 2qr0 n SER 173 Ca -0.02 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 2qr0 n SER 173 Cb 0.25 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 2qr0 n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qr0 n GLY 174 N 0.17 0.55 3.55 5.00 0.00 -0.89 -5.04 105.19 108.54 2qr0 n GLY 174 Ca 0.07 -0.14 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 2qr0 n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qr0 s LEU 175 N 0.00 2.99 0.46 0.99 1.02 -1.26 -4.91 118.68 117.97 2qr0 s LEU 175 Ca 0.00 -0.25 -0.14 0.00 0.02 0.00 0.00 54.13 53.76 2qr0 s LEU 175 Cb 0.00 -1.73 -0.07 0.00 0.02 0.00 0.00 46.19 44.40 2qr0 s LEU 175 CO 0.00 0.26 0.89 -0.31 0.02 0.00 0.00 176.35 177.22 2qr0 s TYR 176 N -0.99 3.45 -0.19 0.29 2.02 0.19 -1.82 117.35 120.30 2qr0 s TYR 176 Ca 0.17 1.30 -0.14 0.00 -0.37 0.00 0.00 57.07 58.03 2qr0 s TYR 176 Cb -0.11 -2.65 0.05 0.00 -0.40 0.00 0.00 41.96 38.85 2qr0 s TYR 176 CO 0.07 -0.24 0.48 0.45 -1.57 0.00 0.00 175.55 174.74 2qr0 s SER 177 N -3.05 -0.55 0.14 2.29 0.15 -0.60 -0.59 113.70 111.50 2qr0 s SER 177 Ca 0.56 1.00 -0.01 0.00 0.70 0.00 0.00 55.95 58.20 2qr0 s SER 177 Cb -0.10 0.96 -0.04 0.00 -1.71 0.00 0.00 66.02 65.13 2qr0 s SER 177 CO 0.30 -0.18 0.07 -1.48 1.20 0.00 0.00 173.24 173.15 2qr0 s LEU 178 N 0.76 1.65 0.03 3.45 0.05 -0.53 -1.02 118.68 123.07 2qr0 s LEU 178 Ca -0.04 -1.24 0.08 0.00 0.05 0.00 0.00 54.13 52.97 2qr0 s LEU 178 Cb -0.05 0.32 -0.02 0.00 -2.05 0.00 0.00 46.19 44.38 2qr0 s LEU 178 CO -0.06 -0.75 -0.22 -0.44 -0.55 0.00 0.00 176.35 174.33 2qr0 s SER 179 N -3.07 2.61 -0.16 1.48 0.01 -1.26 -0.36 113.70 112.95 2qr0 s SER 179 Ca 0.27 -0.51 0.00 0.00 1.31 0.00 0.00 55.95 57.02 2qr0 s SER 179 Cb 0.07 -0.24 0.03 0.00 0.21 0.00 0.00 66.02 66.10 2qr0 s SER 179 CO 0.04 0.20 -0.10 -0.55 0.41 0.00 0.00 173.24 173.23 2qr0 s SER 180 N -1.05 2.84 0.17 2.44 0.15 0.69 -1.72 113.70 117.21 2qr0 s SER 180 Ca 0.08 -0.60 0.10 0.00 0.70 0.00 0.00 55.95 56.23 2qr0 s SER 180 Cb -0.09 -1.10 -0.04 0.00 -1.71 0.00 0.00 66.02 63.08 2qr0 s SER 180 CO 0.01 -0.11 -0.22 0.54 1.20 0.00 0.00 173.24 174.65 2qr0 s VAL 181 N 1.52 2.14 -0.06 4.45 0.11 0.37 0.65 120.40 129.57 2qr0 s VAL 181 Ca 0.02 -1.93 -0.06 0.00 -2.93 0.00 0.00 61.98 57.09 2qr0 s VAL 181 Cb -0.14 -1.98 0.01 0.00 -1.53 0.00 0.00 36.38 32.74 2qr0 s VAL 181 CO -0.09 -0.14 0.17 0.54 -3.33 0.00 0.00 175.10 172.25 2qr0 s VAL 182 N -1.66 0.01 -0.12 2.04 0.11 0.23 -0.57 120.40 120.45 2qr0 s VAL 182 Ca 0.17 -0.10 -0.08 0.00 -2.93 0.00 0.00 61.98 59.04 2qr0 s VAL 182 Cb -0.08 -0.28 -0.04 0.00 -1.53 0.00 0.00 36.38 34.45 2qr0 s VAL 182 CO 0.08 -0.06 0.15 0.42 -3.33 0.00 0.00 175.10 172.37 2qr0 s THR 183 N -0.13 5.48 0.11 5.04 -4.23 -0.18 -1.04 115.64 120.69 2qr0 s THR 183 Ca -0.02 0.24 -0.08 0.00 -1.18 0.00 0.00 61.69 60.65 2qr0 s THR 183 Cb -0.02 -3.42 -0.01 0.00 1.34 0.00 0.00 72.50 70.39 2qr0 s THR 183 CO 0.00 0.61 0.20 0.68 -0.54 0.00 0.00 174.62 175.57 2qr0 s VAL 184 N -0.94 0.12 0.61 2.29 -7.23 0.39 -4.72 120.40 110.92 2qr0 s VAL 184 Ca 0.15 -1.34 -0.18 0.00 -1.81 0.00 0.00 61.98 58.80 2qr0 s VAL 184 Cb -0.12 -1.56 -0.03 0.00 0.56 0.00 0.00 36.38 35.23 2qr0 s VAL 184 CO 0.04 -0.55 1.21 -2.84 -0.31 0.00 0.00 175.10 172.65 2qr0 s PRO 185 N -3.91 2.89 0.13 4.82 0.02 -1.26 -0.75 135.00 136.94 2qr0 s PRO 185 Ca 0.10 1.82 -0.13 0.00 0.02 0.00 0.00 61.00 62.81 2qr0 s PRO 185 Cb 0.05 -1.92 -0.02 0.00 0.02 0.00 0.00 34.50 32.63 2qr0 s PRO 185 CO -0.07 -1.27 1.55 0.77 -0.33 0.00 0.00 177.00 177.66 2qr0 h SER 186 N 0.76 0.79 0.85 2.53 0.02 -1.89 -3.16 113.55 113.46 2qr0 h SER 186 Ca -0.50 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.10 2qr0 h SER 186 Cb 1.30 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.62 2qr0 h SER 186 CO 0.55 0.95 0.00 0.77 -1.14 0.00 0.00 176.83 177.96 2qr0 h SER 187 N 0.62 0.00 1.40 3.07 4.64 -1.93 -2.86 113.55 118.50 2qr0 h SER 187 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 2qr0 h SER 187 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.68 2qr0 h SER 187 CO 0.04 0.00 0.00 0.77 -0.87 0.00 0.00 176.83 176.77 2qr0 h SER 188 N 0.00 0.00 -3.80 4.97 4.64 -1.95 -3.44 113.55 113.97 2qr0 h SER 188 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 2qr0 h SER 188 Cb 0.43 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.59 2qr0 h SER 188 CO 0.00 0.00 0.69 -0.76 -0.87 0.00 0.00 176.83 175.89 2qr0 s LEU 189 N -5.58 4.40 0.00 5.97 1.43 -1.08 -0.93 118.68 122.88 2qr0 s LEU 189 Ca 0.06 2.76 0.00 0.00 -1.03 0.00 0.00 54.13 55.92 2qr0 s LEU 189 Cb 0.08 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.65 2qr0 s LEU 189 CO 0.57 -0.64 0.00 0.61 0.23 0.00 0.00 176.35 177.13 2qr0 n GLY 190 N 1.00 2.49 0.08 -3.19 0.00 -1.26 -4.72 105.19 99.58 2qr0 n GLY 190 Ca 0.01 -0.59 -0.05 0.00 0.00 0.00 0.00 46.02 45.40 2qr0 n GLY 190 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2qr0 h THR 191 N 0.00 0.45 -3.92 2.61 2.02 -1.81 -3.46 112.91 108.79 2qr0 h THR 191 Ca 0.00 -1.25 -0.47 0.00 0.77 0.00 0.00 66.41 65.47 2qr0 h THR 191 Cb 0.00 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 2qr0 h THR 191 CO 0.00 0.14 0.36 -1.10 0.37 0.00 0.00 175.52 175.30 2qr0 s GLN 192 N -2.04 4.46 -0.26 6.66 -1.52 -0.10 -5.05 119.66 121.81 2qr0 s GLN 192 Ca -0.06 1.35 -0.06 0.00 -1.95 0.00 0.00 55.36 54.64 2qr0 s GLN 192 Cb -0.00 -2.68 -0.01 0.00 -0.22 0.00 0.00 33.01 30.10 2qr0 s GLN 192 CO 0.21 0.16 0.04 0.99 -0.25 0.00 0.00 175.29 176.43 2qr0 s THR 193 N -1.68 3.88 -0.42 -0.19 2.01 -1.26 -4.81 115.64 113.16 2qr0 s THR 193 Ca 0.53 -0.48 -0.10 0.00 0.31 0.00 0.00 61.69 61.95 2qr0 s THR 193 Cb -0.18 -2.87 0.08 0.00 0.01 0.00 0.00 72.50 69.53 2qr0 s THR 193 CO 0.24 0.26 0.27 -0.31 -0.69 0.00 0.00 174.62 174.39 2qr0 s TYR 194 N 1.53 3.33 -0.04 4.92 2.02 -1.26 -4.94 117.35 122.90 2qr0 s TYR 194 Ca 0.05 -1.46 0.01 0.00 -0.37 0.00 0.00 57.07 55.30 2qr0 s TYR 194 Cb -0.16 -2.97 -0.03 0.00 -0.40 0.00 0.00 41.96 38.40 2qr0 s TYR 194 CO 0.01 -0.84 -0.06 0.96 -1.57 0.00 0.00 175.55 174.06 2qr0 s ILE 195 N 1.45 3.78 -0.16 2.71 -5.25 -1.26 -0.74 121.20 121.73 2qr0 s ILE 195 Ca 0.03 -0.56 -0.03 0.00 -0.99 0.00 0.00 60.65 59.10 2qr0 s ILE 195 Cb -0.23 -2.59 -0.02 0.00 2.95 0.00 0.00 42.46 42.56 2qr0 s ILE 195 CO 0.03 0.52 -0.05 0.00 -1.79 0.00 0.00 174.94 173.64 2qr0 s ASN 197 N 0.48 6.09 -0.05 0.00 -0.87 0.19 -2.28 114.94 118.51 2qr0 s ASN 197 Ca -0.04 -1.83 -0.14 0.00 -1.57 0.00 0.00 52.86 49.28 2qr0 s ASN 197 Cb -0.15 -2.17 -0.05 0.00 -0.02 0.00 0.00 41.25 38.87 2qr0 s ASN 197 CO 0.03 -0.82 0.38 -0.69 -2.57 0.00 0.00 177.10 173.43 2qr0 s VAL 198 N 1.54 5.13 -0.09 1.60 1.01 -0.51 -1.75 120.40 127.33 2qr0 s VAL 198 Ca 0.04 0.76 -0.03 0.00 0.00 0.00 0.00 61.98 62.74 2qr0 s VAL 198 Cb -0.29 -3.68 0.04 0.00 0.00 0.00 0.00 36.38 32.45 2qr0 s VAL 198 CO 0.02 0.53 0.06 0.21 0.00 0.00 0.00 175.10 175.92 2qr0 s ASN 199 N -0.67 1.69 -0.43 3.32 3.84 -0.47 -2.24 114.94 119.98 2qr0 s ASN 199 Ca 0.22 -0.21 -0.01 0.00 0.21 0.00 0.00 52.86 53.07 2qr0 s ASN 199 Cb -0.16 -0.25 0.12 0.00 -0.55 0.00 0.00 41.25 40.41 2qr0 s ASN 199 CO 0.11 -0.27 0.20 -2.28 -2.79 0.00 0.00 177.10 172.07 2qr0 s HIS 200 N 2.11 3.59 0.15 0.43 5.65 -0.84 -2.10 115.29 124.28 2qr0 s HIS 200 Ca 0.04 -2.62 -0.15 0.00 0.25 0.00 0.00 55.06 52.57 2qr0 s HIS 200 Cb -0.14 -3.14 0.03 0.00 -1.18 0.00 0.00 32.58 28.15 2qr0 s HIS 200 CO -0.05 -0.94 1.78 0.87 -0.65 0.00 0.00 174.74 175.74 2qr0 h LYS 201 N 7.76 0.61 0.00 2.88 1.57 -1.84 -2.74 116.57 124.81 2qr0 h LYS 201 Ca -0.09 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2qr0 h LYS 201 Cb 1.02 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.21 2qr0 h LYS 201 CO 0.66 0.46 0.00 -0.35 -0.57 0.00 0.00 179.45 179.65 2qr0 n PRO 202 N -4.72 0.42 -0.48 3.15 -0.05 -1.26 -1.70 135.00 130.35 2qr0 n PRO 202 Ca 0.01 0.05 0.05 0.00 -0.05 0.00 0.00 63.50 63.56 2qr0 n PRO 202 Cb 0.06 -1.50 0.08 0.00 -0.05 0.00 0.00 33.50 32.09 2qr0 n PRO 202 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 175.50 174.32 2qr0 n SER 203 N -1.11 1.16 -4.42 3.54 3.41 -1.19 -5.01 113.62 110.01 2qr0 n SER 203 Ca 0.11 -2.61 -0.39 0.00 -0.26 0.00 0.00 58.87 55.72 2qr0 n SER 203 Cb 0.09 -0.33 -0.07 0.00 -0.26 0.00 0.00 64.21 63.63 2qr0 n SER 203 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2qr0 n ASN 204 N -0.58 -1.65 -4.53 4.04 3.02 -0.69 -4.92 115.26 109.95 2qr0 n ASN 204 Ca 0.09 -1.19 -0.38 0.00 -0.03 0.00 0.00 54.58 53.06 2qr0 n ASN 204 Cb 0.73 -1.92 -0.11 0.00 -0.61 0.00 0.00 39.78 37.87 2qr0 n ASN 204 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2qr0 s THR 205 N -3.47 5.01 -0.25 3.41 -4.23 -1.04 -5.04 115.64 110.03 2qr0 s THR 205 Ca 0.65 -0.06 0.02 0.00 -1.18 0.00 0.00 61.69 61.12 2qr0 s THR 205 Cb -0.37 -3.44 0.05 0.00 1.34 0.00 0.00 72.50 70.08 2qr0 s THR 205 CO 1.00 0.19 -0.11 -0.54 -0.54 0.00 0.00 174.62 174.61 2qr0 s LYS 206 N 1.70 2.46 -0.06 3.99 -0.14 -1.26 -1.98 119.74 124.45 2qr0 s LYS 206 Ca 0.06 -1.21 0.05 0.00 -1.36 0.00 0.00 55.97 53.52 2qr0 s LYS 206 Cb -0.16 -2.87 -0.01 0.00 -1.68 0.00 0.00 37.83 33.12 2qr0 s LYS 206 CO 0.09 -0.49 -0.22 0.08 -0.76 0.00 0.00 175.35 174.05 2qr0 s VAL 207 N 1.17 1.85 -0.57 3.17 1.01 -0.95 -5.05 120.40 121.03 2qr0 s VAL 207 Ca -0.05 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.02 2qr0 s VAL 207 Cb -0.18 -1.57 0.15 0.00 0.00 0.00 0.00 36.38 34.78 2qr0 s VAL 207 CO -0.06 0.52 0.36 -1.81 0.00 0.00 0.00 175.10 174.11 2qr0 s ASP 208 N -0.05 4.13 -0.10 3.32 1.01 -1.26 -1.42 116.67 122.29 2qr0 s ASP 208 Ca -0.05 -3.31 -0.25 0.00 0.71 0.00 0.00 52.55 49.65 2qr0 s ASP 208 Cb -0.13 -1.41 -0.03 0.00 1.01 0.00 0.00 42.92 42.36 2qr0 s ASP 208 CO 0.04 -0.17 0.79 -0.75 0.21 0.00 0.00 175.17 175.28 2qr0 s LYS 209 N -0.63 4.39 -0.03 8.23 2.47 -0.96 -4.85 119.74 128.35 2qr0 s LYS 209 Ca 0.22 1.00 -0.27 0.00 -1.56 0.00 0.00 55.97 55.35 2qr0 s LYS 209 Cb -0.14 -3.50 -0.03 0.00 -1.46 0.00 0.00 37.83 32.70 2qr0 s LYS 209 CO -0.09 -0.12 0.87 0.21 0.16 0.00 0.00 175.35 176.39 2qr0 s LYS 210 N 1.41 4.50 -0.24 4.03 2.20 -1.26 -0.88 119.74 129.50 2qr0 s LYS 210 Ca 0.39 1.21 -0.07 0.00 -0.36 0.00 0.00 55.97 57.15 2qr0 s LYS 210 Cb -0.18 -3.46 -0.03 0.00 -1.51 0.00 0.00 37.83 32.66 2qr0 s LYS 210 CO 0.17 -0.02 0.06 0.08 -0.36 0.00 0.00 175.35 175.27 2qr0 s VAL 211 N 1.00 4.21 0.07 4.02 1.01 0.08 -4.94 120.40 125.84 2qr0 s VAL 211 Ca 0.46 -0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.24 2qr0 s VAL 211 Cb -0.20 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 2qr0 s VAL 211 CO 0.24 0.35 -0.05 -1.83 0.00 0.00 0.00 175.10 173.81 2qr0 s GLU 212 N 1.56 0.68 0.01 2.72 -1.05 -1.26 -4.20 118.70 117.16 2qr0 s GLU 212 Ca 0.06 -1.19 -0.30 0.00 -0.15 0.00 0.00 54.97 53.39 2qr0 s GLU 212 Cb -0.15 -0.02 -0.06 0.00 -0.44 0.00 0.00 34.13 33.47 2qr0 s GLU 212 CO 0.03 -0.05 1.38 -2.14 0.95 0.00 0.00 175.26 175.43 2qr0 s PRO 213 N -3.51 4.30 0.09 -4.83 0.02 -1.26 -4.75 135.00 125.05 2qr0 s PRO 213 Ca 0.06 1.95 -0.31 0.00 0.02 0.00 0.00 61.00 62.72 2qr0 s PRO 213 Cb 0.04 -3.53 -0.07 0.00 0.02 0.00 0.00 34.50 30.96 2qr0 s PRO 213 CO -0.06 -0.54 1.34 0.21 -0.33 0.00 0.00 177.00 177.62 2qr0 s LYS 214 N 2.21 4.34 0.00 5.54 2.20 -1.26 -4.88 119.74 127.89 2qr0 s LYS 214 Ca 0.63 1.98 0.00 0.00 -0.36 0.00 0.00 55.97 58.22 2qr0 s LYS 214 Cb -0.31 -3.32 0.00 0.00 -1.51 0.00 0.00 37.83 32.69 2qr0 s LYS 214 CO 0.27 -0.41 0.00 -1.13 -0.36 0.00 0.00 175.35 173.72 2qr0 n SER 215 N 4.13 0.00 0.00 1.43 3.41 -1.26 -5.15 113.62 116.18 2qr0 n SER 215 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 2qr0 n SER 215 Cb 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.38 2qr0 n SER 215 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88