#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 4.74 -0.13 6.31 1.01 -1.26 -4.15 120.40 126.93 2qr0 s VAL 2 Ca 0.00 1.49 -0.24 0.00 0.00 0.00 0.00 61.98 63.23 2qr0 s VAL 2 Cb 0.00 -4.04 0.06 0.00 0.00 0.00 0.00 36.38 32.39 2qr0 s VAL 2 CO 0.00 0.42 0.60 0.00 0.00 0.00 0.00 175.10 176.11 2qr0 s GLN 3 N -0.31 0.85 -0.07 2.72 -2.07 -0.38 -5.01 119.66 115.38 2qr0 s GLN 3 Ca 0.35 0.46 0.01 0.00 -1.82 0.00 0.00 55.36 54.36 2qr0 s GLN 3 Cb -0.20 0.40 -0.03 0.00 -1.09 0.00 0.00 33.01 32.09 2qr0 s GLN 3 CO 0.21 -0.20 -0.08 -0.51 -1.32 0.00 0.00 175.29 173.40 2qr0 s LEU 4 N -0.52 3.11 -0.07 2.60 1.02 -1.26 -1.74 118.68 121.82 2qr0 s LEU 4 Ca -0.06 -0.06 0.01 0.00 0.02 0.00 0.00 54.13 54.04 2qr0 s LEU 4 Cb -0.03 -1.68 0.02 0.00 0.02 0.00 0.00 46.19 44.52 2qr0 s LEU 4 CO 0.05 0.34 -0.08 -0.69 0.02 0.00 0.00 176.35 175.99 2qr0 s VAL 5 N -0.68 0.86 0.24 -1.59 1.01 -1.00 -4.08 120.40 115.16 2qr0 s VAL 5 Ca 0.10 -0.27 0.07 0.00 0.00 0.00 0.00 61.98 61.88 2qr0 s VAL 5 Cb -0.11 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 2qr0 s VAL 5 CO 0.02 0.31 0.17 -1.61 0.00 0.00 0.00 175.10 173.98 2qr0 s GLU 6 N 1.15 2.85 0.19 2.72 2.02 -1.26 0.73 118.70 127.09 2qr0 s GLU 6 Ca -0.06 -1.07 -0.23 0.00 0.02 0.00 0.00 54.97 53.62 2qr0 s GLU 6 Cb -0.14 -2.53 0.05 0.00 0.10 0.00 0.00 34.13 31.62 2qr0 s GLU 6 CO -0.01 0.41 0.70 -1.54 0.02 0.00 0.00 175.26 174.84 2qr0 s SER 7 N -3.73 -0.40 0.00 -0.19 1.04 -0.60 -4.88 113.70 104.93 2qr0 s SER 7 Ca 0.32 -0.25 0.00 0.00 0.48 0.00 0.00 55.95 56.50 2qr0 s SER 7 Cb -0.08 0.62 0.00 0.00 0.10 0.00 0.00 66.02 66.66 2qr0 s SER 7 CO 0.24 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 174.00 2qr0 n GLY 8 N -0.40 0.51 3.79 7.32 0.00 -1.26 -1.99 105.19 113.15 2qr0 n GLY 8 Ca -0.11 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 -1.32 1.67 0.00 -0.02 0.00 -1.26 -4.61 107.32 101.78 2qr0 s GLY 9 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.87 2qr0 s GLY 9 CO 0.00 0.50 0.00 0.61 0.00 0.00 0.00 173.10 174.21 2qr0 n GLY 10 N -1.55 -0.54 3.76 0.20 0.00 -0.96 -4.89 105.19 101.22 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 4.36 -0.08 0.99 0.20 -1.26 -1.28 118.68 121.61 2qr0 s LEU 11 Ca 0.00 0.89 -0.07 0.00 0.69 0.00 0.00 54.13 55.63 2qr0 s LEU 11 Cb 0.00 -2.66 0.02 0.00 -0.43 0.00 0.00 46.19 43.12 2qr0 s LEU 11 CO 0.00 0.13 0.21 0.68 -0.29 0.00 0.00 176.35 177.08 2qr0 s VAL 12 N -0.06 -0.00 0.34 1.68 -7.23 -1.06 -5.00 120.40 109.06 2qr0 s VAL 12 Ca 0.25 0.01 -0.28 0.00 -1.81 0.00 0.00 61.98 60.15 2qr0 s VAL 12 Cb -0.16 -0.30 -0.10 0.00 0.56 0.00 0.00 36.38 36.38 2qr0 s VAL 12 CO 0.12 0.00 1.23 -1.10 -0.31 0.00 0.00 175.10 175.04 2qr0 s GLN 13 N 0.17 4.35 0.43 4.82 -1.52 -1.25 -1.87 119.66 124.79 2qr0 s GLN 13 Ca -0.00 2.05 -0.23 0.00 -1.95 0.00 0.00 55.36 55.22 2qr0 s GLN 13 Cb -0.02 -3.01 -0.11 0.00 -0.22 0.00 0.00 33.01 29.65 2qr0 s GLN 13 CO -0.00 -0.13 0.72 -2.30 -0.25 0.00 0.00 175.29 173.33 2qr0 n PRO 14 N 0.72 0.84 -0.86 2.91 -0.02 -1.26 -0.88 135.00 136.45 2qr0 n PRO 14 Ca 0.01 0.30 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 2qr0 n PRO 14 Cb 0.43 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 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 0.89 3.94 -1.23 0.00 -0.02 -4.92 105.19 105.41 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 0.32 -0.02 0.00 -0.06 -4.04 107.32 103.25 2qr0 s GLY 16 Ca 0.00 -1.04 0.07 0.00 0.00 0.00 0.00 44.72 43.75 2qr0 s GLY 16 CO 0.00 -0.66 0.29 -0.56 0.00 0.00 0.00 173.10 172.17 2qr0 s SER 17 N -4.50 5.41 -0.29 1.64 0.01 -1.26 -2.04 113.70 112.67 2qr0 s SER 17 Ca 0.60 -0.41 -0.19 0.00 1.31 0.00 0.00 55.95 57.25 2qr0 s SER 17 Cb -0.10 -1.10 0.14 0.00 0.21 0.00 0.00 66.02 65.16 2qr0 s SER 17 CO 0.43 -0.28 1.00 -0.22 0.41 0.00 0.00 173.24 174.57 2qr0 s LEU 18 N -3.97 -0.49 -0.12 2.44 1.98 0.16 -4.99 118.68 113.69 2qr0 s LEU 18 Ca 0.39 0.84 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 0.27 -0.14 -0.22 -0.60 -1.89 0.00 0.00 176.35 173.77 2qr0 s ARG 19 N 0.93 2.95 -0.07 1.98 3.52 -1.26 -0.16 118.95 126.83 2qr0 s ARG 19 Ca -0.04 -0.83 -0.01 0.00 -0.13 0.00 0.00 55.73 54.71 2qr0 s ARG 19 Cb -0.04 -2.33 -0.03 0.00 -1.56 0.00 0.00 34.95 30.98 2qr0 s ARG 19 CO -0.12 0.05 -0.01 -0.51 -0.81 0.00 0.00 175.30 173.89 2qr0 s LEU 20 N 0.67 3.49 -0.11 -0.88 1.43 0.56 -4.57 118.68 119.26 2qr0 s LEU 20 Ca -0.11 0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.11 2qr0 s LEU 20 Cb -0.16 -1.82 0.01 0.00 0.03 0.00 0.00 46.19 44.25 2qr0 s LEU 20 CO 0.02 0.36 -0.19 -0.44 0.23 0.00 0.00 176.35 176.34 2qr0 s SER 21 N -0.95 2.72 -0.32 2.29 0.01 -0.84 -0.25 113.70 116.36 2qr0 s SER 21 Ca 0.14 -0.50 -0.02 0.00 1.31 0.00 0.00 55.95 56.88 2qr0 s SER 21 Cb -0.11 -1.24 0.06 0.00 0.21 0.00 0.00 66.02 64.94 2qr0 s SER 21 CO 0.03 0.06 0.04 0.00 0.41 0.00 0.00 173.24 173.78 2qr0 s ALA 23 N 1.22 3.47 0.41 0.00 0.00 0.22 -0.79 121.76 126.30 2qr0 s ALA 23 Ca -0.02 -1.94 -0.21 0.00 0.00 0.00 0.00 51.96 49.78 2qr0 s ALA 23 Cb -0.20 -2.91 -0.11 0.00 0.00 0.00 0.00 23.12 19.90 2qr0 s ALA 23 CO -0.02 -1.59 0.93 0.00 0.00 0.00 0.00 175.76 175.08 2qr0 s ALA 24 N 1.62 3.08 -0.15 0.00 0.00 -0.47 -2.38 121.76 123.45 2qr0 s ALA 24 Ca 0.04 0.39 -0.07 0.00 0.00 0.00 0.00 51.96 52.31 2qr0 s ALA 24 Cb -0.22 -3.13 0.06 0.00 0.00 0.00 0.00 23.12 19.83 2qr0 s ALA 24 CO 0.07 0.15 0.35 -1.12 0.00 0.00 0.00 175.76 175.21 2qr0 s SER 25 N -2.13 -0.32 0.00 0.00 0.01 -0.71 -4.87 113.70 105.68 2qr0 s SER 25 Ca 0.60 0.77 0.00 0.00 1.31 0.00 0.00 55.95 58.64 2qr0 s SER 25 Cb -0.10 0.74 0.00 0.00 0.21 0.00 0.00 66.02 66.87 2qr0 s SER 25 CO 0.14 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.21 2qr0 n GLY 26 N 4.52 0.95 3.48 3.44 0.00 -1.26 -1.25 105.19 115.07 2qr0 n GLY 26 Ca -0.20 -0.02 -0.15 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 -4.61 117.98 109.79 2qr0 s PHE 27 Ca 0.00 0.80 -0.27 0.00 -1.04 0.00 0.00 56.93 56.43 2qr0 s PHE 27 Cb 0.00 0.47 -0.01 0.00 -1.21 0.00 0.00 43.02 42.27 2qr0 s PHE 27 CO 0.00 -0.70 1.77 -0.80 -1.34 0.00 0.00 175.22 174.15 2qr0 s ASN 28 N -1.81 5.43 0.64 1.98 -0.87 -1.26 -4.81 114.94 114.23 2qr0 s ASN 28 Ca -0.06 0.27 0.42 0.00 -1.57 0.00 0.00 52.86 51.91 2qr0 s ASN 28 Cb -0.00 -2.53 2.20 0.00 -0.02 0.00 0.00 41.25 40.89 2qr0 s ASN 28 CO 0.01 -2.27 2.30 0.15 -2.57 0.00 0.00 177.10 174.72 2qr0 h PHE 29 N 14.14 0.00 -0.21 2.20 3.57 -1.92 -1.43 116.94 133.28 2qr0 h PHE 29 Ca -0.26 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.19 2qr0 h PHE 29 Cb 1.15 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.88 2qr0 h PHE 29 CO 1.05 0.00 -0.06 0.66 -2.23 0.00 0.00 178.31 177.74 2qr0 h SER 30 N 0.00 0.42 -0.51 0.41 4.64 -1.87 -3.27 113.55 113.38 2qr0 h SER 30 Ca -0.00 -0.37 -0.26 0.00 -0.47 0.00 0.00 61.79 60.69 2qr0 h SER 30 Cb 0.10 -0.12 -0.15 0.00 -0.31 0.00 0.00 62.40 61.92 2qr0 h SER 30 CO 0.00 0.70 0.33 -1.54 -0.87 0.00 0.00 176.83 175.45 2qr0 n SER 31 N -4.59 3.39 -0.83 4.97 3.41 -0.54 -3.85 113.62 115.57 2qr0 n SER 31 Ca -0.04 -2.81 0.00 0.00 -0.26 0.00 0.00 58.87 55.75 2qr0 n SER 31 Cb 0.29 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.57 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 -3.77 4.04 3.41 -1.21 -4.99 113.62 110.78 2qr0 n SER 32 Ca 0.30 -0.83 -0.09 0.00 -0.26 0.00 0.00 58.87 57.99 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 -0.54 -0.02 -0.02 4.04 1.04 -1.26 -4.24 113.70 112.70 2qr0 s SER 33 Ca 0.00 -0.52 0.04 0.00 0.48 0.00 0.00 55.95 55.94 2qr0 s SER 33 Cb 0.00 0.39 -0.01 0.00 0.10 0.00 0.00 66.02 66.51 2qr0 s SER 33 CO 0.00 -0.78 -0.13 -0.63 0.98 0.00 0.00 173.24 172.68 2qr0 s ILE 34 N -3.84 1.04 0.11 -1.02 -1.09 -0.87 -2.00 121.20 113.54 2qr0 s ILE 34 Ca 0.04 -0.54 0.03 0.00 -2.23 0.00 0.00 60.65 57.96 2qr0 s ILE 34 Cb 0.04 -0.89 -0.04 0.00 -1.58 0.00 0.00 42.46 39.99 2qr0 s ILE 34 CO -0.11 0.30 0.12 -1.00 -1.23 0.00 0.00 174.94 173.02 2qr0 s HIS 35 N -0.12 3.22 -0.13 3.97 3.76 0.15 -1.89 115.29 124.24 2qr0 s HIS 35 Ca 0.01 0.06 -0.01 0.00 -0.15 0.00 0.00 55.06 54.97 2qr0 s HIS 35 Cb -0.07 -1.60 -0.02 0.00 1.11 0.00 0.00 32.58 32.00 2qr0 s HIS 35 CO 0.00 0.53 -0.09 -1.58 -0.85 0.00 0.00 174.74 172.74 2qr0 s TRP 36 N -1.54 2.89 -0.01 1.40 0.52 0.69 -1.27 118.94 121.62 2qr0 s TRP 36 Ca 0.31 -0.47 0.03 0.00 0.02 0.00 0.00 56.10 55.99 2qr0 s TRP 36 Cb -0.11 -1.87 -0.01 0.00 -1.15 0.00 0.00 33.47 30.33 2qr0 s TRP 36 CO 0.23 -0.10 -0.11 0.08 0.02 0.00 0.00 176.95 177.07 2qr0 s VAL 37 N 0.25 0.86 0.20 4.03 1.01 0.15 -1.67 120.40 125.25 2qr0 s VAL 37 Ca -0.07 -0.48 0.10 0.00 0.00 0.00 0.00 61.98 61.54 2qr0 s VAL 37 Cb -0.15 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 2qr0 s VAL 37 CO 0.04 0.24 -0.20 0.00 0.00 0.00 0.00 175.10 175.18 2qr0 s ARG 38 N -0.28 1.44 -0.21 2.72 1.70 0.02 0.61 118.95 124.96 2qr0 s ARG 38 Ca 0.04 -1.55 -0.04 0.00 -0.47 0.00 0.00 55.73 53.71 2qr0 s ARG 38 Cb -0.04 -1.53 0.08 0.00 -0.57 0.00 0.00 34.95 32.88 2qr0 s ARG 38 CO -0.00 0.30 0.14 -1.14 -1.08 0.00 0.00 175.30 173.52 2qr0 s GLN 39 N -3.05 0.13 0.55 3.89 0.74 0.26 -0.93 119.66 121.24 2qr0 s GLN 39 Ca 0.21 -0.11 -0.19 0.00 0.05 0.00 0.00 55.36 55.32 2qr0 s GLN 39 Cb -0.05 -1.49 -0.06 0.00 1.10 0.00 0.00 33.01 32.51 2qr0 s GLN 39 CO 0.09 -0.76 1.13 0.00 -0.55 0.00 0.00 175.29 175.20 2qr0 s ALA 40 N 2.19 2.69 -0.20 1.58 0.00 -1.26 -1.19 121.76 125.57 2qr0 s ALA 40 Ca 0.05 0.81 -0.38 0.00 0.00 0.00 0.00 51.96 52.43 2qr0 s ALA 40 Cb -0.16 -3.36 -0.15 0.00 0.00 0.00 0.00 23.12 19.46 2qr0 s ALA 40 CO -0.17 -0.78 1.77 -2.30 0.00 0.00 0.00 175.76 174.28 2qr0 n PRO 41 N -1.34 1.47 0.00 0.00 -0.02 -1.26 -1.66 135.00 132.19 2qr0 n PRO 41 Ca 0.11 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 2qr0 n PRO 41 Cb 0.51 -2.27 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 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 4.18 1.80 3.64 -1.23 0.00 -1.26 -4.99 105.19 107.32 2qr0 n GLY 42 Ca 0.25 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 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 0.34 0.00 1.61 2.47 -0.66 -5.08 119.74 118.42 2qr0 s LYS 43 Ca 0.00 0.79 0.00 0.00 -1.56 0.00 0.00 55.97 55.20 2qr0 s LYS 43 Cb 0.00 -1.70 0.00 0.00 -1.46 0.00 0.00 37.83 34.67 2qr0 s LYS 43 CO 0.00 -2.86 0.00 0.41 0.16 0.00 0.00 175.35 173.06 2qr0 n GLY 44 N -0.45 -0.15 3.80 5.54 0.00 -1.26 -4.45 105.19 108.22 2qr0 n GLY 44 Ca 0.06 -1.77 -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 4.50 -0.01 0.99 1.43 -1.26 -4.10 118.68 120.23 2qr0 s LEU 45 Ca 0.00 1.47 0.00 0.00 -1.03 0.00 0.00 54.13 54.57 2qr0 s LEU 45 Cb 0.00 -3.28 0.02 0.00 0.03 0.00 0.00 46.19 42.96 2qr0 s LEU 45 CO 0.00 0.17 0.02 -0.70 0.23 0.00 0.00 176.35 176.07 2qr0 s GLU 46 N -1.40 0.02 0.16 1.70 2.12 -0.11 -5.01 118.70 116.19 2qr0 s GLU 46 Ca 0.36 0.11 -0.30 0.00 0.36 0.00 0.00 54.97 55.50 2qr0 s GLU 46 Cb -0.20 -0.20 -0.08 0.00 0.26 0.00 0.00 34.13 33.91 2qr0 s GLU 46 CO 0.23 -0.11 1.21 -0.46 -0.54 0.00 0.00 175.26 175.59 2qr0 s TRP 47 N 0.71 3.42 -0.07 5.30 -0.00 -1.26 -0.80 118.94 126.25 2qr0 s TRP 47 Ca -0.06 1.38 -0.07 0.00 -0.00 0.00 0.00 56.10 57.34 2qr0 s TRP 47 Cb -0.09 -3.44 -0.02 0.00 -0.00 0.00 0.00 33.47 29.91 2qr0 s TRP 47 CO -0.02 -1.28 -0.15 0.28 -0.00 0.00 0.00 176.95 175.79 2qr0 n VAL 48 N 2.81 0.72 -3.70 5.86 0.31 -0.67 -4.70 118.33 118.97 2qr0 n VAL 48 Ca 0.05 0.30 -0.07 0.00 -0.01 0.00 0.00 64.34 64.62 2qr0 n VAL 48 Cb 0.45 -1.82 -0.02 0.00 -0.91 0.00 0.00 33.84 31.54 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 -2.80 -1.52 -0.00 3.52 0.00 -1.14 -0.20 121.76 119.61 2qr0 s ALA 49 Ca -0.12 0.17 -0.02 0.00 0.00 0.00 0.00 51.96 51.99 2qr0 s ALA 49 Cb 0.02 0.72 -0.00 0.00 0.00 0.00 0.00 23.12 23.85 2qr0 s ALA 49 CO 0.18 -0.94 0.05 -0.47 0.00 0.00 0.00 175.76 174.57 2qr0 s TYR 50 N -3.55 0.06 0.01 0.00 5.04 0.66 -0.22 117.35 119.35 2qr0 s TYR 50 Ca 0.09 -0.12 0.00 0.00 -2.44 0.00 0.00 57.07 54.61 2qr0 s TYR 50 Cb -0.03 -0.06 -0.01 0.00 0.35 0.00 0.00 41.96 42.21 2qr0 s TYR 50 CO -0.00 -0.13 -0.03 -1.50 -1.34 0.00 0.00 175.55 172.54 2qr0 s ILE 51 N -0.73 0.16 -0.47 3.14 2.07 -0.79 -1.33 121.20 123.24 2qr0 s ILE 51 Ca -0.08 -0.47 0.03 0.00 -1.41 0.00 0.00 60.65 58.71 2qr0 s ILE 51 Cb -0.05 -0.21 0.15 0.00 0.13 0.00 0.00 42.46 42.48 2qr0 s ILE 51 CO 0.00 -0.20 0.31 -0.47 -1.91 0.00 0.00 174.94 172.67 2qr0 s TYR 52 N -0.69 1.88 0.34 3.50 6.14 -0.42 -2.05 117.35 126.06 2qr0 s TYR 52 Ca -0.06 -2.48 0.10 0.00 0.64 0.00 0.00 57.07 55.26 2qr0 s TYR 52 Cb -0.05 -1.65 0.85 0.00 0.42 0.00 0.00 41.96 41.53 2qr0 s TYR 52 CO -0.00 -0.76 1.81 -1.35 0.64 0.00 0.00 175.55 175.90 2qr0 h PRO 52 N 6.19 0.64 -0.98 4.97 0.11 -1.82 -2.31 132.00 138.80 2qr0 h PRO 52 Ca 0.11 -0.04 0.15 0.00 0.11 0.00 0.00 66.00 66.33 2qr0 h PRO 52 Cb 0.89 -0.14 -0.10 0.00 0.11 0.00 0.00 31.00 31.76 2qr0 h PRO 52 CO 0.47 0.42 0.60 1.03 -0.21 0.00 0.00 178.00 180.31 2qr0 h SER 53 N 0.66 0.81 -0.32 -2.05 0.87 -1.82 -1.85 113.55 109.85 2qr0 h SER 53 Ca 0.53 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 61.16 2qr0 h SER 53 Cb 0.95 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 2qr0 h SER 53 CO -0.29 0.36 0.00 -1.22 -0.53 0.00 0.00 176.83 175.15 2qr0 n TYR 54 N -4.72 1.13 -4.03 2.24 4.02 -0.88 -4.97 117.16 109.94 2qr0 n TYR 54 Ca 0.21 -0.85 -0.30 0.00 -0.01 0.00 0.00 57.90 56.95 2qr0 n TYR 54 Cb 0.46 -0.34 -0.08 0.00 -0.02 0.00 0.00 39.34 39.36 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 -0.30 -0.07 -4.87 7.72 3.41 -0.70 -4.92 113.62 113.89 2qr0 n SER 55 Ca 0.22 -1.06 -0.37 0.00 -0.26 0.00 0.00 58.87 57.40 2qr0 n SER 55 Cb 0.94 -1.33 -0.06 0.00 -0.26 0.00 0.00 64.21 63.49 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 -3.68 3.59 -0.04 7.33 5.04 -1.19 -5.00 117.35 123.41 2qr0 s TYR 56 Ca 0.26 0.53 -0.07 0.00 -2.44 0.00 0.00 57.07 55.36 2qr0 s TYR 56 Cb -0.15 -1.97 0.01 0.00 0.35 0.00 0.00 41.96 40.20 2qr0 s TYR 56 CO 0.85 0.71 0.17 -0.08 -1.34 0.00 0.00 175.55 175.85 2qr0 s THR 57 N -0.95 0.04 -0.04 4.34 -1.32 -1.26 -1.30 115.64 115.14 2qr0 s THR 57 Ca 0.15 -0.30 -0.08 0.00 -1.21 0.00 0.00 61.69 60.24 2qr0 s THR 57 Cb -0.12 -0.34 0.01 0.00 -1.51 0.00 0.00 72.50 70.54 2qr0 s THR 57 CO 0.04 -0.17 0.19 -0.94 -2.21 0.00 0.00 174.62 171.53 2qr0 s SER 58 N -0.57 -0.11 0.18 8.08 1.04 -0.44 -5.01 113.70 116.87 2qr0 s SER 58 Ca -0.07 0.12 0.08 0.00 0.48 0.00 0.00 55.95 56.57 2qr0 s SER 58 Cb -0.04 0.32 -0.04 0.00 0.10 0.00 0.00 66.02 66.36 2qr0 s SER 58 CO 0.01 -0.24 -0.17 -0.31 0.98 0.00 0.00 173.24 173.51 2qr0 s TYR 59 N -0.67 1.80 0.30 5.02 1.51 -1.26 -0.24 117.35 123.80 2qr0 s TYR 59 Ca -0.08 -0.49 -0.26 0.00 -1.01 0.00 0.00 57.07 55.24 2qr0 s TYR 59 Cb -0.04 -0.88 -0.10 0.00 -0.11 0.00 0.00 41.96 40.83 2qr0 s TYR 59 CO 0.01 0.35 0.92 0.00 -1.11 0.00 0.00 175.55 175.72 2qr0 s ALA 60 N -2.25 3.25 0.22 3.71 0.00 0.72 -4.80 121.76 122.60 2qr0 s ALA 60 Ca 0.17 0.51 -0.13 0.00 0.00 0.00 0.00 51.96 52.51 2qr0 s ALA 60 Cb -0.05 -3.16 0.27 0.00 0.00 0.00 0.00 23.12 20.18 2qr0 s ALA 60 CO 0.07 0.19 1.62 -0.44 0.00 0.00 0.00 175.76 177.20 2qr0 h ASP 61 N 3.37 -0.60 0.00 0.00 3.45 -1.93 0.26 116.42 120.96 2qr0 h ASP 61 Ca -0.47 0.20 0.00 0.00 0.43 0.00 0.00 57.03 57.19 2qr0 h ASP 61 Cb 1.19 0.41 0.00 0.00 -0.56 0.00 0.00 39.33 40.37 2qr0 h ASP 61 CO 0.65 -0.22 0.05 -1.54 -1.57 0.00 0.00 179.24 176.61 2qr0 n SER 62 N -5.44 0.52 -0.03 6.45 3.41 -1.26 -2.30 113.62 114.97 2qr0 n SER 62 Ca 0.09 0.73 -0.03 0.00 -0.26 0.00 0.00 58.87 59.39 2qr0 n SER 62 Cb 0.35 -0.78 -0.04 0.00 -0.26 0.00 0.00 64.21 63.48 2qr0 n SER 62 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2qr0 n VAL 63 N -2.21 0.38 -1.56 -3.33 0.31 0.37 -5.02 118.33 107.27 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 0.08 -0.85 -0.06 0.00 -0.91 0.00 0.00 33.84 32.10 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 -2.22 0.87 0.00 5.55 4.81 0.63 -1.13 118.16 126.68 2qr0 n LYS 64 Ca -0.09 0.31 0.00 0.00 -0.87 0.00 0.00 58.31 57.66 2qr0 n LYS 64 Cb 0.68 -1.88 0.00 0.00 0.02 0.00 0.00 35.03 33.85 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 2.19 3.07 0.13 3.14 0.00 -1.26 -4.82 105.19 107.64 2qr0 n GLY 65 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.58 0.58 -2.95 1.61 1.74 -0.28 -5.00 116.66 111.77 2qr0 n ARG 66 Ca 0.00 0.15 -0.21 0.00 -0.77 0.00 0.00 57.85 57.02 2qr0 n ARG 66 Cb 0.00 -1.46 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 -2.47 3.05 -0.23 -1.55 0.40 -1.16 -2.42 117.98 113.60 2qr0 s PHE 67 Ca -0.32 0.02 -0.04 0.00 -0.60 0.00 0.00 56.93 55.99 2qr0 s PHE 67 Cb 0.09 -2.41 0.12 0.00 0.51 0.00 0.00 43.02 41.33 2qr0 s PHE 67 CO 0.53 -0.47 0.38 0.99 0.70 0.00 0.00 175.22 177.34 2qr0 s THR 68 N -2.54 -0.60 0.06 0.64 2.01 0.14 -4.93 115.64 110.42 2qr0 s THR 68 Ca 0.51 -0.00 -0.26 0.00 0.31 0.00 0.00 61.69 62.25 2qr0 s THR 68 Cb -0.10 -0.76 -0.06 0.00 0.01 0.00 0.00 72.50 71.59 2qr0 s THR 68 CO 0.36 -0.07 0.80 -0.63 -0.69 0.00 0.00 174.62 174.39 2qr0 s ILE 69 N 2.55 4.67 0.30 1.82 1.01 -1.26 -1.13 121.20 129.16 2qr0 s ILE 69 Ca 0.09 1.70 0.03 0.00 0.00 0.00 0.00 60.65 62.47 2qr0 s ILE 69 Cb -0.15 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.14 2qr0 s ILE 69 CO -0.15 0.37 0.14 -0.94 0.00 0.00 0.00 174.94 174.36 2qr0 s SER 70 N -0.11 1.52 -0.22 3.58 1.04 -0.64 -5.01 113.70 113.86 2qr0 s SER 70 Ca 0.40 -1.52 -0.11 0.00 0.48 0.00 0.00 55.95 55.20 2qr0 s SER 70 Cb -0.21 0.34 0.08 0.00 0.10 0.00 0.00 66.02 66.33 2qr0 s SER 70 CO 0.24 -0.85 0.51 0.00 0.98 0.00 0.00 173.24 174.12 2qr0 s ALA 71 N -3.62 -1.39 -0.71 5.32 0.00 -1.26 -0.80 121.76 119.29 2qr0 s ALA 71 Ca 0.36 1.84 -0.16 0.00 0.00 0.00 0.00 51.96 54.00 2qr0 s ALA 71 Cb 0.05 -1.24 0.16 0.00 0.00 0.00 0.00 23.12 22.10 2qr0 s ALA 71 CO 0.17 -0.47 0.72 0.34 0.00 0.00 0.00 175.76 176.51 2qr0 s ASP 72 N 1.89 6.48 0.37 0.00 -1.08 -0.32 -4.92 116.67 119.08 2qr0 s ASP 72 Ca -0.08 -2.13 0.08 0.00 -0.52 0.00 0.00 52.55 49.90 2qr0 s ASP 72 Cb -0.09 -2.25 0.81 0.00 -1.46 0.00 0.00 42.92 39.94 2qr0 s ASP 72 CO -0.15 -0.81 1.92 0.74 0.52 0.00 0.00 175.17 177.39 2qr0 h THR 73 N 5.42 0.92 0.01 1.71 2.02 -1.97 -1.28 112.91 119.74 2qr0 h THR 73 Ca -0.08 -0.23 0.03 0.00 0.77 0.00 0.00 66.41 66.90 2qr0 h THR 73 Cb 1.06 0.17 -0.04 0.00 -1.74 0.00 0.00 68.15 67.61 2qr0 h THR 73 CO 0.94 0.12 -0.23 -1.28 0.37 0.00 0.00 175.52 175.45 2qr0 h SER 74 N 0.68 -0.66 0.79 4.18 0.87 -1.94 -2.61 113.55 114.85 2qr0 h SER 74 Ca 0.37 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 61.03 2qr0 h SER 74 Cb 0.52 0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 2qr0 h SER 74 CO -0.15 -0.30 0.00 0.29 -0.53 0.00 0.00 176.83 176.15 2qr0 n LYS 75 N -5.35 0.01 -3.20 2.24 4.01 -0.68 -4.90 118.16 110.29 2qr0 n LYS 75 Ca -0.05 0.13 -0.16 0.00 -0.51 0.00 0.00 58.31 57.72 2qr0 n LYS 75 Cb 0.26 -1.52 0.06 0.00 -0.51 0.00 0.00 35.03 33.33 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 -1.54 -4.24 -3.87 4.39 4.05 -0.57 -4.85 115.26 108.63 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 0.27 -3.72 -0.14 0.00 1.23 0.00 0.00 39.78 37.41 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 -3.23 0.01 0.07 -0.44 2.01 -1.08 -1.36 115.64 111.61 2qr0 s THR 77 Ca 0.30 -0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.34 2qr0 s THR 77 Cb -0.13 -0.02 -0.04 0.00 0.01 0.00 0.00 72.50 72.32 2qr0 s THR 77 CO 0.52 0.01 -0.02 0.00 -0.69 0.00 0.00 174.62 174.43 2qr0 s ALA 78 N 0.03 3.21 0.02 7.40 0.00 0.03 -1.18 121.76 131.26 2qr0 s ALA 78 Ca -0.00 -1.10 0.05 0.00 0.00 0.00 0.00 51.96 50.91 2qr0 s ALA 78 Cb -0.00 -1.16 -0.02 0.00 0.00 0.00 0.00 23.12 21.93 2qr0 s ALA 78 CO -0.00 0.67 -0.16 0.71 0.00 0.00 0.00 175.76 176.98 2qr0 s TYR 79 N -1.22 1.40 -0.24 0.00 2.02 0.02 0.72 117.35 120.05 2qr0 s TYR 79 Ca 0.23 -0.32 0.02 0.00 -0.37 0.00 0.00 57.07 56.63 2qr0 s TYR 79 Cb -0.11 -0.85 0.05 0.00 -0.40 0.00 0.00 41.96 40.65 2qr0 s TYR 79 CO 0.15 0.03 -0.10 -1.17 -1.57 0.00 0.00 175.55 172.89 2qr0 s LEU 80 N -0.87 2.96 -0.32 -1.29 2.96 0.66 -1.62 118.68 121.16 2qr0 s LEU 80 Ca 0.04 -1.22 -0.18 0.00 -0.22 0.00 0.00 54.13 52.56 2qr0 s LEU 80 Cb -0.07 -1.41 -0.01 0.00 0.50 0.00 0.00 46.19 45.20 2qr0 s LEU 80 CO 0.01 -0.18 0.52 -1.58 -1.32 0.00 0.00 176.35 173.79 2qr0 s GLN 81 N 1.23 3.78 -0.32 1.98 2.00 -0.28 -0.32 119.66 127.73 2qr0 s GLN 81 Ca -0.06 0.01 -0.05 0.00 -2.00 0.00 0.00 55.36 53.26 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 -0.54 0.06 -1.64 -0.50 0.00 0.00 175.29 172.60 2qr0 s MET 82 N 2.38 2.62 0.09 1.67 -1.94 0.77 -0.68 119.30 124.20 2qr0 s MET 82 Ca 0.20 -1.16 0.04 0.00 -1.71 0.00 0.00 55.69 53.06 2qr0 s MET 82 Cb -0.15 -3.34 -0.04 0.00 2.01 0.00 0.00 34.83 33.30 2qr0 s MET 82 CO 0.12 -0.62 0.02 -0.80 -0.01 0.00 0.00 175.02 173.74 2qr0 s ASN 82 N 1.36 5.16 -0.95 3.03 0.01 -1.02 -0.66 114.94 121.88 2qr0 s ASN 82 Ca -0.02 -0.14 -0.00 0.00 -0.71 0.00 0.00 52.86 51.99 2qr0 s ASN 82 Cb -0.19 -1.27 0.00 0.00 0.41 0.00 0.00 41.25 40.19 2qr0 s ASN 82 CO 0.01 0.17 0.79 -0.24 -1.51 0.00 0.00 177.10 176.32 2qr0 n SER 82 N 0.50 -2.22 -4.77 -1.22 2.88 -0.86 -4.61 113.62 103.32 2qr0 n SER 82 Ca -0.10 -0.48 -0.39 0.00 -1.33 0.00 0.00 58.87 56.57 2qr0 n SER 82 Cb 0.52 -4.13 -0.02 0.00 -0.75 0.00 0.00 64.21 59.84 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 -5.45 4.24 0.50 2.46 1.43 -0.89 -4.59 118.68 116.38 2qr0 s LEU 82 Ca 0.03 2.47 0.04 0.00 -1.03 0.00 0.00 54.13 55.64 2qr0 s LEU 82 Cb -0.01 -3.93 -0.01 0.00 0.03 0.00 0.00 46.19 42.27 2qr0 s LEU 82 CO 0.57 -0.69 0.17 -0.13 0.23 0.00 0.00 176.35 176.50 2qr0 s ARG 83 N -2.18 2.20 0.22 1.70 0.52 -1.26 -0.84 118.95 119.31 2qr0 s ARG 83 Ca 0.55 -2.15 -0.07 0.00 -0.52 0.00 0.00 55.73 53.54 2qr0 s ARG 83 Cb -0.34 -1.81 0.18 0.00 0.52 0.00 0.00 34.95 33.50 2qr0 s ARG 83 CO 0.43 -0.37 1.77 0.00 0.02 0.00 0.00 175.30 177.15 2qr0 h ALA 84 N 1.20 1.04 0.00 2.13 0.00 -1.97 -2.60 119.26 119.06 2qr0 h ALA 84 Ca -0.41 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 2qr0 h ALA 84 Cb 1.29 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 2qr0 h ALA 84 CO 0.68 0.66 -0.11 1.05 0.00 0.00 0.00 179.25 181.53 2qr0 h GLU 85 N 1.11 0.00 0.00 0.00 9.09 -1.96 -2.52 114.58 120.29 2qr0 h GLU 85 Ca 0.25 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.66 2qr0 h GLU 85 Cb 0.27 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.37 2qr0 h GLU 85 CO -0.01 0.11 0.00 -0.25 0.05 0.00 0.00 179.01 178.91 2qr0 n ASP 86 N -3.58 0.00 -4.66 3.06 8.00 -0.98 -4.68 116.55 113.70 2qr0 n ASP 86 Ca -0.02 0.45 -0.42 0.00 0.71 0.00 0.00 54.79 55.51 2qr0 n ASP 86 Cb 0.24 -0.47 -0.03 0.00 -0.02 0.00 0.00 41.12 40.84 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 -2.95 3.05 0.12 -3.53 2.01 -0.95 -4.85 115.64 108.54 2qr0 s THR 87 Ca 0.08 0.12 -0.24 0.00 0.31 0.00 0.00 61.69 61.96 2qr0 s THR 87 Cb 0.10 -3.08 0.08 0.00 0.01 0.00 0.00 72.50 69.61 2qr0 s THR 87 CO 0.26 -0.01 1.12 0.00 -0.69 0.00 0.00 174.62 175.31 2qr0 s ALA 88 N 4.23 -1.89 -0.23 7.40 0.00 -0.45 -4.65 121.76 126.16 2qr0 s ALA 88 Ca 0.86 -0.26 -0.10 0.00 0.00 0.00 0.00 51.96 52.46 2qr0 s ALA 88 Cb -0.42 0.83 -0.05 0.00 0.00 0.00 0.00 23.12 23.49 2qr0 s ALA 88 CO 0.39 -1.10 0.13 0.08 0.00 0.00 0.00 175.76 175.27 2qr0 s VAL 89 N -2.05 5.11 -0.30 0.00 1.01 -0.33 -1.29 120.40 122.55 2qr0 s VAL 89 Ca 0.25 0.09 -0.10 0.00 0.00 0.00 0.00 61.98 62.23 2qr0 s VAL 89 Cb -0.02 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 2qr0 s VAL 89 CO 0.04 0.36 0.15 -0.31 0.00 0.00 0.00 175.10 175.33 2qr0 s TYR 90 N 1.07 3.17 -0.10 5.22 1.51 0.10 -0.58 117.35 127.74 2qr0 s TYR 90 Ca 0.06 -0.40 -0.02 0.00 -1.01 0.00 0.00 57.07 55.70 2qr0 s TYR 90 Cb -0.14 -2.34 -0.03 0.00 -0.11 0.00 0.00 41.96 39.34 2qr0 s TYR 90 CO 0.04 -0.38 -0.01 0.71 -1.11 0.00 0.00 175.55 174.81 2qr0 s TYR 91 N 1.65 3.13 -0.07 2.71 1.51 0.20 -1.90 117.35 124.58 2qr0 s TYR 91 Ca 0.05 0.10 -0.03 0.00 -1.01 0.00 0.00 57.07 56.19 2qr0 s TYR 91 Cb -0.16 -1.83 -0.04 0.00 -0.11 0.00 0.00 41.96 39.82 2qr0 s TYR 91 CO 0.07 0.36 0.06 0.00 -1.11 0.00 0.00 175.55 174.94 2qr0 s ALA 93 N -1.03 -0.40 0.49 0.00 0.00 -0.40 -0.78 121.76 119.64 2qr0 s ALA 93 Ca 0.17 0.61 -0.13 0.00 0.00 0.00 0.00 51.96 52.61 2qr0 s ALA 93 Cb -0.12 -0.38 -0.07 0.00 0.00 0.00 0.00 23.12 22.56 2qr0 s ALA 93 CO 0.07 -0.12 0.91 -0.98 0.00 0.00 0.00 175.76 175.64 2qr0 s ARG 94 N 0.53 3.82 -0.16 0.00 1.04 -0.44 -0.68 118.95 123.06 2qr0 s ARG 94 Ca -0.04 0.72 -0.12 0.00 -1.04 0.00 0.00 55.73 55.25 2qr0 s ARG 94 Cb -0.05 -2.23 -0.05 0.00 -2.04 0.00 0.00 34.95 30.58 2qr0 s ARG 94 CO -0.03 -0.23 0.24 -0.47 -0.04 0.00 0.00 175.30 174.77 2qr0 s TYR 95 N -2.63 3.46 0.33 5.89 5.04 -0.85 -2.64 117.35 125.95 2qr0 s TYR 95 Ca 0.55 0.52 0.05 0.00 -2.44 0.00 0.00 57.07 55.75 2qr0 s TYR 95 Cb -0.10 -2.26 0.06 0.00 0.35 0.00 0.00 41.96 40.01 2qr0 s TYR 95 CO 0.35 0.30 0.45 0.98 -1.34 0.00 0.00 175.55 176.30 2qr0 n TYR 96 N 3.39 -2.68 -1.68 4.97 9.36 0.20 -4.84 117.16 125.89 2qr0 n TYR 96 Ca -0.14 -1.14 -0.50 0.00 3.32 0.00 0.00 57.90 59.45 2qr0 n TYR 96 Cb 0.52 -0.31 -0.05 0.00 -0.63 0.00 0.00 39.34 38.87 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 1.08 1.28 2.29 2.98 0.00 -1.26 -2.37 105.19 109.19 2qr0 n GLY 97 Ca 0.09 0.84 -0.17 0.00 0.00 0.00 0.00 46.02 46.79 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 4.74 -0.11 0.00 2.61 5.66 -1.26 -4.59 114.28 121.33 2qr0 n THR 98 Ca 0.22 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.22 2qr0 n THR 98 Cb 0.26 -1.69 0.00 0.00 -1.55 0.00 0.00 70.33 67.35 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 -0.39 0.71 0.91 1.09 0.00 -1.00 -5.17 105.19 101.35 2qr0 n GLY 99 Ca -0.17 -2.15 0.08 0.00 0.00 0.00 0.00 46.02 43.77 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 -2.08 -3.54 4.61 0.00 -1.26 -3.31 120.51 113.93 2qr0 n ALA 100 Ca 0.00 0.50 -0.26 0.00 0.00 0.00 0.00 53.44 53.68 2qr0 n ALA 100 Cb 0.00 -1.02 -0.17 0.00 0.00 0.00 0.00 19.45 18.27 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 -4.12 1.90 -0.27 0.00 1.00 -1.26 0.62 119.30 117.17 2qr0 s MET 100 Ca 0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 55.69 55.19 2qr0 s MET 100 Cb 0.00 -1.60 -0.15 0.00 0.00 0.00 0.00 34.83 33.07 2qr0 s MET 100 CO 0.00 -0.02 -0.27 -0.40 0.00 0.00 0.00 175.02 174.33 2qr0 n ASP 101 N 4.01 1.98 -4.33 3.03 5.75 -1.08 -4.90 116.55 121.01 2qr0 n ASP 101 Ca -0.21 0.02 -0.34 0.00 -0.01 0.00 0.00 54.79 54.25 2qr0 n ASP 101 Cb 0.51 -0.54 -0.14 0.00 -1.03 0.00 0.00 41.12 39.92 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 -2.51 2.91 0.12 2.11 1.51 -1.26 -5.02 117.35 115.21 2qr0 s TYR 102 Ca -0.36 -0.85 0.08 0.00 -1.01 0.00 0.00 57.07 54.92 2qr0 s TYR 102 Cb 0.11 -2.01 -0.04 0.00 -0.11 0.00 0.00 41.96 39.91 2qr0 s TYR 102 CO 0.56 -0.43 -0.09 -1.58 -1.11 0.00 0.00 175.55 172.90 2qr0 s TRP 103 N 1.06 2.72 0.72 2.71 0.52 -1.26 -1.32 118.94 124.09 2qr0 s TRP 103 Ca 0.00 -0.17 -0.11 0.00 0.02 0.00 0.00 56.10 55.84 2qr0 s TRP 103 Cb -0.15 -1.40 0.02 0.00 -1.15 0.00 0.00 33.47 30.80 2qr0 s TRP 103 CO -0.01 0.45 1.08 0.20 0.02 0.00 0.00 176.95 178.69 2qr0 s GLY 104 N -2.38 1.64 0.52 0.98 0.00 0.04 -4.59 107.32 103.52 2qr0 s GLY 104 Ca 0.22 -0.16 0.17 0.00 0.00 0.00 0.00 44.72 44.95 2qr0 s GLY 104 CO 0.14 0.19 2.12 0.06 0.00 0.00 0.00 173.10 175.62 2qr0 h GLN 105 N -0.75 0.03 0.00 2.90 -0.00 -1.91 -3.45 115.11 111.93 2qr0 h GLN 105 Ca -0.45 -0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.20 2qr0 h GLN 105 Cb 1.24 -0.01 0.00 0.00 -0.00 0.00 0.00 27.48 28.71 2qr0 h GLN 105 CO 0.61 0.02 0.00 0.41 -0.00 0.00 0.00 178.83 179.86 2qr0 n GLY 106 N -1.55 0.43 3.71 0.06 0.00 -1.26 -5.04 105.19 101.54 2qr0 n GLY 106 Ca -0.01 -1.31 -0.31 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.44 4.23 -0.39 2.61 -4.23 -0.80 -4.88 115.64 111.74 2qr0 s THR 107 Ca 0.00 -0.77 -0.15 0.00 -1.18 0.00 0.00 61.69 59.58 2qr0 s THR 107 Cb 0.00 -2.98 0.01 0.00 1.34 0.00 0.00 72.50 70.87 2qr0 s THR 107 CO 0.00 0.22 0.35 -0.22 -0.54 0.00 0.00 174.62 174.42 2qr0 s LEU 108 N -2.05 4.84 -0.28 4.79 1.98 -1.26 0.02 118.68 126.71 2qr0 s LEU 108 Ca 0.24 -0.65 -0.10 0.00 -2.89 0.00 0.00 54.13 50.73 2qr0 s LEU 108 Cb -0.12 -2.26 -0.04 0.00 0.66 0.00 0.00 46.19 44.43 2qr0 s LEU 108 CO 0.16 -0.44 0.17 -0.69 -1.89 0.00 0.00 176.35 173.66 2qr0 s VAL 109 N 1.89 5.07 -0.27 1.68 1.01 -0.41 -2.26 120.40 127.11 2qr0 s VAL 109 Ca 0.08 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.10 2qr0 s VAL 109 Cb -0.18 -3.45 0.07 0.00 0.00 0.00 0.00 36.38 32.83 2qr0 s VAL 109 CO 0.11 0.22 -0.04 0.28 0.00 0.00 0.00 175.10 175.68 2qr0 s THR 110 N 1.72 1.90 -0.35 3.92 -1.32 -0.40 -1.34 115.64 119.76 2qr0 s THR 110 Ca 0.07 -1.65 -0.23 0.00 -1.21 0.00 0.00 61.69 58.67 2qr0 s THR 110 Cb -0.16 -2.17 0.01 0.00 -1.51 0.00 0.00 72.50 68.66 2qr0 s THR 110 CO 0.09 -0.23 0.75 -0.69 -2.21 0.00 0.00 174.62 172.33 2qr0 s VAL 111 N 1.19 4.78 -0.02 5.08 1.01 -1.26 -2.58 120.40 128.59 2qr0 s VAL 111 Ca -0.02 0.87 -0.29 0.00 0.00 0.00 0.00 61.98 62.53 2qr0 s VAL 111 Cb -0.19 -4.16 0.08 0.00 0.00 0.00 0.00 36.38 32.10 2qr0 s VAL 111 CO -0.07 -0.37 0.70 -0.55 0.00 0.00 0.00 175.10 174.81 2qr0 s SER 112 N 1.79 -0.61 0.00 3.32 0.15 -0.78 -4.74 113.70 112.82 2qr0 s SER 112 Ca 0.30 0.54 0.29 0.00 0.70 0.00 0.00 55.95 57.78 2qr0 s SER 112 Cb -0.14 0.52 1.17 0.00 -1.71 0.00 0.00 66.02 65.86 2qr0 s SER 112 CO 0.16 -0.64 1.85 -1.54 1.20 0.00 0.00 173.24 174.26 2qr0 n SER 113 N 0.64 0.22 -4.70 5.45 3.41 -1.26 -3.87 113.62 113.51 2qr0 n SER 113 Ca -0.17 -0.06 -0.30 0.00 -0.26 0.00 0.00 58.87 58.08 2qr0 n SER 113 Cb 0.59 -0.21 0.15 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 -2.77 1.41 0.71 7.33 0.00 -1.26 -5.01 121.76 122.18 2qr0 s ALA 114 Ca 0.21 0.03 -0.11 0.00 0.00 0.00 0.00 51.96 52.08 2qr0 s ALA 114 Cb 0.19 -3.23 0.02 0.00 0.00 0.00 0.00 23.12 20.10 2qr0 s ALA 114 CO 0.53 -2.48 1.10 -1.12 0.00 0.00 0.00 175.76 173.79 2qr0 s SER 115 N -3.26 5.38 -0.16 0.00 0.01 -1.26 -5.03 113.70 109.38 2qr0 s SER 115 Ca 0.64 1.12 -0.15 0.00 1.31 0.00 0.00 55.95 58.87 2qr0 s SER 115 Cb -0.19 -1.90 -0.04 0.00 0.21 0.00 0.00 66.02 64.10 2qr0 s SER 115 CO 0.58 -1.38 0.35 -0.89 0.41 0.00 0.00 173.24 172.31 2qr0 s THR 116 N -3.37 5.26 -0.06 1.44 2.01 -1.26 -4.75 115.64 114.90 2qr0 s THR 116 Ca 0.58 0.66 0.03 0.00 0.31 0.00 0.00 61.69 63.27 2qr0 s THR 116 Cb -0.11 -3.69 0.01 0.00 0.01 0.00 0.00 72.50 68.72 2qr0 s THR 116 CO 0.52 0.34 -0.14 -0.54 -0.69 0.00 0.00 174.62 174.10 2qr0 s LYS 117 N 0.73 1.84 0.42 4.92 -0.14 -0.78 -4.97 119.74 121.76 2qr0 s LYS 117 Ca 0.19 -0.50 -0.16 0.00 -1.36 0.00 0.00 55.97 54.14 2qr0 s LYS 117 Cb -0.14 -1.51 -0.09 0.00 -1.68 0.00 0.00 37.83 34.41 2qr0 s LYS 117 CO 0.06 0.08 0.88 0.20 -0.76 0.00 0.00 175.35 175.81 2qr0 s GLY 118 N 0.50 2.21 0.45 -3.33 0.00 -1.26 -1.60 107.32 104.29 2qr0 s GLY 118 Ca -0.13 0.15 -0.20 0.00 0.00 0.00 0.00 44.72 44.54 2qr0 s GLY 118 CO 0.04 0.39 0.96 2.56 0.00 0.00 0.00 173.10 177.05 2qr0 s PRO 119 N -3.50 4.14 -0.03 2.90 0.04 -1.26 -4.62 135.00 132.67 2qr0 s PRO 119 Ca 0.57 1.11 -0.15 0.00 0.04 0.00 0.00 61.00 62.57 2qr0 s PRO 119 Cb -0.10 -2.16 -0.05 0.00 0.04 0.00 0.00 34.50 32.22 2qr0 s PRO 119 CO 0.22 -0.11 0.40 -1.12 0.04 0.00 0.00 177.00 176.43 2qr0 s SER 120 N -2.33 6.75 -0.21 6.66 0.01 -0.63 -4.95 113.70 119.00 2qr0 s SER 120 Ca 0.62 0.89 -0.00 0.00 1.31 0.00 0.00 55.95 58.76 2qr0 s SER 120 Cb -0.10 -2.25 0.02 0.00 0.21 0.00 0.00 66.02 63.91 2qr0 s SER 120 CO 0.17 0.26 -0.13 -0.69 0.41 0.00 0.00 173.24 173.26 2qr0 s VAL 121 N -0.69 2.53 -0.04 3.43 1.01 -1.26 -1.06 120.40 124.32 2qr0 s VAL 121 Ca 0.23 -0.93 0.06 0.00 0.00 0.00 0.00 61.98 61.35 2qr0 s VAL 121 Cb -0.16 -2.17 -0.02 0.00 0.00 0.00 0.00 36.38 34.03 2qr0 s VAL 121 CO 0.12 0.39 -0.23 -0.36 0.00 0.00 0.00 175.10 175.02 2qr0 s PHE 122 N 1.32 2.45 0.20 5.22 0.08 -0.08 -4.97 117.98 122.21 2qr0 s PHE 122 Ca 0.03 -0.47 -0.30 0.00 0.12 0.00 0.00 56.93 56.31 2qr0 s PHE 122 Cb -0.15 -1.57 -0.08 0.00 -0.57 0.00 0.00 43.02 40.65 2qr0 s PHE 122 CO -0.08 -0.05 0.96 -1.25 -0.10 0.00 0.00 175.22 174.70 2qr0 s PRO 123 N -0.47 4.79 -0.76 0.24 0.04 -1.26 0.19 135.00 137.77 2qr0 s PRO 123 Ca 0.06 1.51 -0.17 0.00 0.04 0.00 0.00 61.00 62.44 2qr0 s PRO 123 Cb -0.11 -3.30 0.16 0.00 0.04 0.00 0.00 34.50 31.29 2qr0 s PRO 123 CO 0.01 0.40 0.80 -0.51 0.04 0.00 0.00 177.00 177.74 2qr0 s LEU 124 N -0.84 5.97 0.25 -3.56 1.43 0.11 -4.85 118.68 117.20 2qr0 s LEU 124 Ca 0.43 -2.13 -0.30 0.00 -1.03 0.00 0.00 54.13 51.11 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 -0.85 0.98 0.00 0.23 0.00 0.00 176.35 177.03 2qr0 s ALA 125 N 1.53 3.35 0.84 4.21 0.00 -1.26 -1.38 121.76 129.04 2qr0 s ALA 125 Ca 0.18 0.68 -0.12 0.00 0.00 0.00 0.00 51.96 52.70 2qr0 s ALA 125 Cb -0.15 -3.24 0.09 0.00 0.00 0.00 0.00 23.12 19.83 2qr0 s ALA 125 CO -0.04 0.12 1.10 -1.25 0.00 0.00 0.00 175.76 175.69 2qr0 s PRO 126 N -1.28 1.76 0.00 0.00 0.04 -1.26 -4.96 135.00 129.31 2qr0 s PRO 126 Ca 0.42 0.62 0.00 0.00 0.04 0.00 0.00 61.00 62.08 2qr0 s PRO 126 Cb -0.27 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.39 2qr0 s PRO 126 CO 0.34 -1.84 0.00 0.45 0.04 0.00 0.00 177.00 175.99 2qr0 n SER 127 N -3.58 0.00 -4.50 6.66 2.88 -1.26 -4.72 113.62 109.10 2qr0 n SER 127 Ca 0.07 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.29 2qr0 n SER 127 Cb 0.57 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.91 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 0.38 4.09 0.00 -3.46 0.01 -1.26 -5.07 113.70 108.39 2qr0 s SER 128 Ca 0.00 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 56.95 2qr0 s SER 128 Cb 0.00 -0.79 0.00 0.00 0.21 0.00 0.00 66.02 65.44 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 1.65 0.00 3.16 3.44 0.00 -1.26 -5.02 105.19 107.15 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 1.77 -0.05 2.61 2.01 -1.26 -3.34 115.64 117.37 2qr0 s THR 135 Ca 0.00 -0.85 -0.00 0.00 0.31 0.00 0.00 61.69 61.15 2qr0 s THR 135 Cb 0.00 -1.55 -0.03 0.00 0.01 0.00 0.00 72.50 70.93 2qr0 s THR 135 CO 0.00 0.50 -0.01 0.00 -0.69 0.00 0.00 174.62 174.42 2qr0 s ALA 136 N 0.47 3.25 0.05 7.40 0.00 0.14 -4.89 121.76 128.19 2qr0 s ALA 136 Ca -0.17 -0.87 0.06 0.00 0.00 0.00 0.00 51.96 50.99 2qr0 s ALA 136 Cb -0.17 -1.40 -0.03 0.00 0.00 0.00 0.00 23.12 21.51 2qr0 s ALA 136 CO 0.07 0.61 -0.14 0.00 0.00 0.00 0.00 175.76 176.30 2qr0 s ALA 137 N -0.95 2.78 0.24 0.00 0.00 -1.26 -0.47 121.76 122.09 2qr0 s ALA 137 Ca 0.16 -1.18 -0.17 0.00 0.00 0.00 0.00 51.96 50.77 2qr0 s ALA 137 Cb -0.11 -0.86 0.01 0.00 0.00 0.00 0.00 23.12 22.17 2qr0 s ALA 137 CO 0.05 0.60 0.57 -0.48 0.00 0.00 0.00 175.76 176.50 2qr0 s LEU 138 N -1.65 0.05 0.00 0.00 0.05 -0.28 -4.06 118.68 112.79 2qr0 s LEU 138 Ca 0.17 -0.67 -0.03 0.00 0.05 0.00 0.00 54.13 53.66 2qr0 s LEU 138 Cb -0.11 2.20 0.01 0.00 -2.05 0.00 0.00 46.19 46.24 2qr0 s LEU 138 CO 0.08 -1.17 0.12 0.61 -0.55 0.00 0.00 176.35 175.44 2qr0 n GLY 139 N -0.39 0.87 3.19 -3.48 0.00 -0.48 0.73 105.19 105.64 2qr0 n GLY 139 Ca -0.05 -0.89 -0.27 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.27 3.69 -0.65 0.00 2.96 0.13 -0.27 118.68 124.27 2qr0 s LEU 141 Ca 0.03 -0.12 -0.05 0.00 -0.22 0.00 0.00 54.13 53.77 2qr0 s LEU 141 Cb -0.10 -2.01 0.17 0.00 0.50 0.00 0.00 46.19 44.76 2qr0 s LEU 141 CO 0.01 -0.03 0.49 -0.69 -1.32 0.00 0.00 176.35 174.81 2qr0 s VAL 142 N 1.64 4.09 -0.01 1.68 1.01 0.20 -0.90 120.40 128.11 2qr0 s VAL 142 Ca 0.07 -2.79 -0.01 0.00 0.00 0.00 0.00 61.98 59.24 2qr0 s VAL 142 Cb -0.15 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 2qr0 s VAL 142 CO 0.07 -0.90 0.09 -0.75 0.00 0.00 0.00 175.10 173.60 2qr0 s LYS 143 N 0.07 3.10 -0.48 2.72 2.20 -0.22 -1.66 119.74 125.46 2qr0 s LYS 143 Ca 0.16 -0.46 -0.14 0.00 -0.36 0.00 0.00 55.97 55.17 2qr0 s LYS 143 Cb -0.19 -2.88 0.02 0.00 -1.51 0.00 0.00 37.83 33.27 2qr0 s LYS 143 CO -0.04 0.65 0.62 -0.25 -0.36 0.00 0.00 175.35 175.97 2qr0 n ASP 144 N 1.22 -7.89 -4.11 1.43 8.00 -0.76 -1.60 116.55 112.83 2qr0 n ASP 144 Ca -0.13 0.42 -0.08 0.00 0.71 0.00 0.00 54.79 55.71 2qr0 n ASP 144 Cb 0.53 -5.32 -0.10 0.00 -0.02 0.00 0.00 41.12 36.21 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 -2.66 0.64 -0.22 1.24 1.13 0.08 -4.04 117.35 113.53 2qr0 s TYR 145 Ca 0.21 -1.12 -0.27 0.00 -1.41 0.00 0.00 57.07 54.48 2qr0 s TYR 145 Cb -0.06 -0.42 0.09 0.00 -1.10 0.00 0.00 41.96 40.47 2qr0 s TYR 145 CO 0.77 -0.43 0.83 0.12 -2.51 0.00 0.00 175.55 174.32 2qr0 s PHE 146 N -3.97 -0.63 0.00 -3.49 2.19 -0.62 0.39 117.98 111.84 2qr0 s PHE 146 Ca 0.13 1.43 0.00 0.00 0.33 0.00 0.00 56.93 58.82 2qr0 s PHE 146 Cb 0.08 0.34 0.00 0.00 -1.31 0.00 0.00 43.02 42.13 2qr0 s PHE 146 CO -0.06 -0.38 0.00 -0.35 1.83 0.00 0.00 175.22 176.27 2qr0 n PRO 147 N 2.02 0.72 -1.29 10.12 -0.04 -1.26 -1.87 135.00 143.41 2qr0 n PRO 147 Ca -0.14 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.00 2qr0 n PRO 147 Cb 0.56 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.12 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 -2.05 2.09 0.38 0.54 0.41 -1.26 -4.76 118.70 114.06 2qr0 s GLU 148 Ca 0.00 1.42 0.08 0.00 -0.41 0.00 0.00 54.97 56.05 2qr0 s GLU 148 Cb 0.00 -1.86 -0.02 0.00 -1.78 0.00 0.00 34.13 30.46 2qr0 s GLU 148 CO 0.00 -1.80 0.33 -1.25 -0.49 0.00 0.00 175.26 172.05 2qr0 s PRO 149 N -4.47 2.59 -0.06 0.39 0.04 -1.26 -4.98 135.00 127.25 2qr0 s PRO 149 Ca 0.66 -1.45 0.06 0.00 0.04 0.00 0.00 61.00 60.31 2qr0 s PRO 149 Cb -0.21 -2.40 -0.01 0.00 0.04 0.00 0.00 34.50 31.92 2qr0 s PRO 149 CO 0.51 -0.06 -0.24 0.08 0.04 0.00 0.00 177.00 177.33 2qr0 s VAL 150 N -2.41 2.15 -0.10 -0.36 1.01 -1.26 -4.47 120.40 114.97 2qr0 s VAL 150 Ca 0.45 -1.03 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 2qr0 s VAL 150 Cb -0.04 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.52 2qr0 s VAL 150 CO 0.27 0.57 -0.04 0.42 0.00 0.00 0.00 175.10 176.32 2qr0 s THR 151 N -0.13 3.94 -0.03 3.92 -4.23 -0.90 -5.00 115.64 113.21 2qr0 s THR 151 Ca -0.04 -0.38 0.04 0.00 -1.18 0.00 0.00 61.69 60.13 2qr0 s THR 151 Cb -0.14 -2.65 -0.01 0.00 1.34 0.00 0.00 72.50 71.04 2qr0 s THR 151 CO 0.04 0.57 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.85 2qr0 s VAL 152 N -0.53 1.26 0.03 2.29 1.01 -1.26 -1.49 120.40 121.71 2qr0 s VAL 152 Ca 0.08 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.39 2qr0 s VAL 152 Cb -0.12 -1.07 -0.02 0.00 0.00 0.00 0.00 36.38 35.17 2qr0 s VAL 152 CO 0.02 0.36 0.03 -0.94 0.00 0.00 0.00 175.10 174.57 2qr0 s SER 153 N -0.14 0.26 -0.13 3.32 1.04 -0.71 -5.00 113.70 112.35 2qr0 s SER 153 Ca 0.01 -0.62 -0.02 0.00 0.48 0.00 0.00 55.95 55.80 2qr0 s SER 153 Cb -0.09 0.18 -0.03 0.00 0.10 0.00 0.00 66.02 66.19 2qr0 s SER 153 CO 0.01 -0.46 -0.04 0.26 0.98 0.00 0.00 173.24 173.98 2qr0 s TRP 154 N -2.49 3.01 -1.53 5.02 0.52 -1.26 0.53 118.94 122.74 2qr0 s TRP 154 Ca -0.06 -0.20 -0.09 0.00 0.02 0.00 0.00 56.10 55.76 2qr0 s TRP 154 Cb -0.02 -1.89 0.07 0.00 -1.15 0.00 0.00 33.47 30.48 2qr0 s TRP 154 CO -0.04 0.08 0.68 0.09 0.02 0.00 0.00 176.95 177.77 2qr0 n ASN 155 N 3.15 -2.31 -1.31 2.95 3.02 -0.51 -2.27 115.26 117.97 2qr0 n ASN 155 Ca -0.18 -0.95 -0.16 0.00 -0.03 0.00 0.00 54.58 53.26 2qr0 n ASN 155 Cb 0.53 -3.20 -0.07 0.00 -0.61 0.00 0.00 39.78 36.43 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 -2.85 -4.98 0.00 6.41 7.64 -1.26 -1.86 113.62 116.72 2qr0 n SER 156 Ca -0.11 0.37 0.00 0.00 1.01 0.00 0.00 58.87 60.15 2qr0 n SER 156 Cb 0.59 -3.95 0.00 0.00 -1.01 0.00 0.00 64.21 59.84 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 -0.96 0.56 0.00 0.23 0.00 -0.96 -4.98 105.19 99.09 2qr0 n GLY 157 Ca -0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.98 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 2.42 -3.71 4.61 0.00 -0.78 -4.66 120.51 117.07 2qr0 n ALA 158 Ca 0.00 -0.15 -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 -2.19 0.50 0.00 0.00 2.96 -1.17 -5.00 118.68 113.78 2qr0 s LEU 159 Ca 0.35 0.05 0.00 0.00 -0.22 0.00 0.00 54.13 54.31 2qr0 s LEU 159 Cb 0.18 -0.15 0.00 0.00 0.50 0.00 0.00 46.19 46.72 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 4.91 0.00 -2.28 3.68 -2.24 -1.26 -4.41 114.28 112.67 2qr0 n THR 160 Ca -0.12 -0.04 -0.43 0.00 -2.27 0.00 0.00 64.05 61.20 2qr0 n THR 160 Cb 0.50 0.36 -0.02 0.00 -2.10 0.00 0.00 70.33 69.06 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 6.86 -0.46 3.42 0.15 -1.26 -3.17 113.70 118.72 2qr0 s SER 161 Ca 0.00 1.91 0.00 0.00 0.70 0.00 0.00 55.95 58.56 2qr0 s SER 161 Cb 0.00 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 2qr0 s SER 161 CO 0.00 -0.78 0.00 0.61 1.20 0.00 0.00 173.24 174.27 2qr0 n GLY 162 N 3.73 0.32 3.66 9.45 0.00 -1.26 -4.74 105.19 116.35 2qr0 n GLY 162 Ca 0.14 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.24 4.78 -0.12 1.61 1.01 -1.19 -1.14 120.40 123.11 2qr0 s VAL 163 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 61.98 61.94 2qr0 s VAL 163 Cb 0.00 -3.13 0.02 0.00 0.00 0.00 0.00 36.38 33.27 2qr0 s VAL 163 CO 0.00 0.49 -0.10 -1.00 0.00 0.00 0.00 175.10 174.49 2qr0 s HIS 164 N 0.12 1.72 -0.36 5.22 3.76 0.14 -5.01 115.29 120.89 2qr0 s HIS 164 Ca 0.05 -0.90 -0.07 0.00 -0.15 0.00 0.00 55.06 53.99 2qr0 s HIS 164 Cb -0.12 -1.36 0.05 0.00 1.11 0.00 0.00 32.58 32.26 2qr0 s HIS 164 CO 0.01 -0.56 0.14 0.99 -0.85 0.00 0.00 174.74 174.46 2qr0 s THR 165 N 1.61 3.88 0.57 1.30 2.01 -1.26 -0.74 115.64 123.01 2qr0 s THR 165 Ca 0.05 -1.20 -0.18 0.00 0.31 0.00 0.00 61.69 60.67 2qr0 s THR 165 Cb -0.13 -3.24 -0.04 0.00 0.01 0.00 0.00 72.50 69.10 2qr0 s THR 165 CO -0.09 -0.26 1.09 -0.36 -0.69 0.00 0.00 174.62 174.32 2qr0 s PHE 166 N 1.40 2.79 0.64 4.92 0.40 -0.63 -5.00 117.98 122.50 2qr0 s PHE 166 Ca -0.00 1.54 -0.18 0.00 -0.60 0.00 0.00 56.93 57.69 2qr0 s PHE 166 Cb -0.20 -3.16 -0.02 0.00 0.51 0.00 0.00 43.02 40.15 2qr0 s PHE 166 CO 0.03 -1.37 1.22 -2.30 0.70 0.00 0.00 175.22 173.49 2qr0 n PRO 167 N -1.70 1.06 -2.20 0.24 -0.02 -1.26 -4.58 135.00 126.54 2qr0 n PRO 167 Ca 0.10 0.42 -0.41 0.00 -2.02 0.00 0.00 63.50 61.59 2qr0 n PRO 167 Cb 0.52 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.52 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 -1.41 3.50 -0.12 3.55 0.00 -1.26 -4.78 121.76 121.24 2qr0 s ALA 168 Ca 0.81 1.16 -0.04 0.00 0.00 0.00 0.00 51.96 53.89 2qr0 s ALA 168 Cb -0.39 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.24 2qr0 s ALA 168 CO 0.42 -0.54 0.04 0.08 0.00 0.00 0.00 175.76 175.76 2qr0 s VAL 169 N -0.65 4.65 -0.30 0.00 1.01 -0.26 -4.94 120.40 119.92 2qr0 s VAL 169 Ca 0.51 -0.11 -0.18 0.00 0.00 0.00 0.00 61.98 62.21 2qr0 s VAL 169 Cb -0.38 -3.01 -0.02 0.00 0.00 0.00 0.00 36.38 32.98 2qr0 s VAL 169 CO 0.46 0.57 0.52 -0.22 0.00 0.00 0.00 175.10 176.43 2qr0 s LEU 170 N -0.60 4.15 0.79 3.92 0.20 -1.26 -1.55 118.68 124.33 2qr0 s LEU 170 Ca 0.11 0.31 -0.10 0.00 0.69 0.00 0.00 54.13 55.14 2qr0 s LEU 170 Cb -0.12 -2.64 0.10 0.00 -0.43 0.00 0.00 46.19 43.10 2qr0 s LEU 170 CO 0.02 -0.37 1.13 -1.10 -0.29 0.00 0.00 176.35 175.75 2qr0 s GLN 171 N 2.36 1.76 0.46 1.98 -0.21 -0.82 -4.97 119.66 120.21 2qr0 s GLN 171 Ca 0.20 -0.22 0.18 0.00 0.02 0.00 0.00 55.36 55.54 2qr0 s GLN 171 Cb -0.15 -2.04 1.10 0.00 1.00 0.00 0.00 33.01 32.91 2qr0 s GLN 171 CO 0.11 -1.62 1.99 0.66 -2.12 0.00 0.00 175.29 174.31 2qr0 h SER 172 N -0.97 0.00 0.40 5.90 4.64 -1.97 -2.45 113.55 119.10 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 0.19 0.00 -1.54 -0.87 0.00 0.00 176.83 175.17 2qr0 n SER 173 N -4.10 0.00 0.00 4.97 3.41 -1.26 -4.86 113.62 111.78 2qr0 n SER 173 Ca -0.02 0.27 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 2qr0 n SER 173 Cb 0.26 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 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 0.04 0.57 3.54 5.00 0.00 -0.92 -5.05 105.19 108.37 2qr0 n GLY 174 Ca 0.06 -0.14 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 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 2.96 0.50 0.99 1.02 -1.26 -4.91 118.68 117.97 2qr0 s LEU 175 Ca 0.00 -0.21 -0.15 0.00 0.02 0.00 0.00 54.13 53.79 2qr0 s LEU 175 Cb 0.00 -1.69 -0.08 0.00 0.02 0.00 0.00 46.19 44.45 2qr0 s LEU 175 CO 0.00 0.30 0.95 -0.31 0.02 0.00 0.00 176.35 177.31 2qr0 s TYR 176 N -0.91 3.46 -0.20 0.29 2.02 0.16 -1.95 117.35 120.22 2qr0 s TYR 176 Ca 0.15 1.39 -0.15 0.00 -0.37 0.00 0.00 57.07 58.10 2qr0 s TYR 176 Cb -0.11 -2.73 0.06 0.00 -0.40 0.00 0.00 41.96 38.78 2qr0 s TYR 176 CO 0.05 -0.34 0.52 0.45 -1.57 0.00 0.00 175.55 174.66 2qr0 s SER 177 N -3.13 -0.62 0.16 2.29 0.15 -0.60 -0.74 113.70 111.23 2qr0 s SER 177 Ca 0.58 1.09 -0.01 0.00 0.70 0.00 0.00 55.95 58.31 2qr0 s SER 177 Cb -0.10 1.03 -0.04 0.00 -1.71 0.00 0.00 66.02 65.20 2qr0 s SER 177 CO 0.32 -0.20 0.08 -1.48 1.20 0.00 0.00 173.24 173.16 2qr0 s LEU 178 N 0.93 1.60 0.04 3.45 0.05 -0.66 -1.10 118.68 122.98 2qr0 s LEU 178 Ca -0.05 -1.27 0.07 0.00 0.05 0.00 0.00 54.13 52.92 2qr0 s LEU 178 Cb -0.06 0.28 -0.02 0.00 -2.05 0.00 0.00 46.19 44.34 2qr0 s LEU 178 CO -0.08 -0.75 -0.21 -0.44 -0.55 0.00 0.00 176.35 174.32 2qr0 s SER 179 N -3.11 2.46 -0.14 1.48 0.01 -1.26 -0.63 113.70 112.52 2qr0 s SER 179 Ca 0.30 -0.51 -0.00 0.00 1.31 0.00 0.00 55.95 57.05 2qr0 s SER 179 Cb 0.07 -0.21 0.03 0.00 0.21 0.00 0.00 66.02 66.12 2qr0 s SER 179 CO 0.06 0.17 -0.11 -0.55 0.41 0.00 0.00 173.24 173.22 2qr0 s SER 180 N -1.12 2.51 0.16 2.44 0.15 0.63 -1.60 113.70 116.86 2qr0 s SER 180 Ca 0.07 -0.44 0.10 0.00 0.70 0.00 0.00 55.95 56.38 2qr0 s SER 180 Cb -0.09 -1.03 -0.04 0.00 -1.71 0.00 0.00 66.02 63.15 2qr0 s SER 180 CO 0.02 -0.09 -0.21 0.54 1.20 0.00 0.00 173.24 174.69 2qr0 s VAL 181 N 1.58 2.01 -0.06 4.45 0.11 0.08 0.10 120.40 128.68 2qr0 s VAL 181 Ca 0.05 -1.88 -0.06 0.00 -2.93 0.00 0.00 61.98 57.15 2qr0 s VAL 181 Cb -0.13 -1.90 0.01 0.00 -1.53 0.00 0.00 36.38 32.84 2qr0 s VAL 181 CO -0.09 -0.18 0.17 0.54 -3.33 0.00 0.00 175.10 172.20 2qr0 s VAL 182 N -1.71 0.01 -0.11 2.04 0.11 0.22 -0.68 120.40 120.29 2qr0 s VAL 182 Ca 0.16 -0.09 -0.09 0.00 -2.93 0.00 0.00 61.98 59.03 2qr0 s VAL 182 Cb -0.07 -0.27 -0.04 0.00 -1.53 0.00 0.00 36.38 34.46 2qr0 s VAL 182 CO 0.07 -0.05 0.19 0.42 -3.33 0.00 0.00 175.10 172.40 2qr0 s THR 183 N -0.09 5.42 0.11 5.04 -4.23 -0.29 -1.13 115.64 120.46 2qr0 s THR 183 Ca -0.02 0.33 -0.07 0.00 -1.18 0.00 0.00 61.69 60.74 2qr0 s THR 183 Cb -0.02 -3.46 -0.01 0.00 1.34 0.00 0.00 72.50 70.35 2qr0 s THR 183 CO 0.00 0.59 0.18 0.68 -0.54 0.00 0.00 174.62 175.54 2qr0 s VAL 184 N -0.89 0.13 0.61 2.29 -7.23 0.38 -4.72 120.40 110.97 2qr0 s VAL 184 Ca 0.16 -1.34 -0.18 0.00 -1.81 0.00 0.00 61.98 58.81 2qr0 s VAL 184 Cb -0.13 -1.52 -0.03 0.00 0.56 0.00 0.00 36.38 35.27 2qr0 s VAL 184 CO 0.05 -0.59 1.22 -2.84 -0.31 0.00 0.00 175.10 172.63 2qr0 s PRO 185 N -3.90 2.85 0.13 4.82 0.02 -1.26 -0.69 135.00 136.96 2qr0 s PRO 185 Ca 0.09 1.85 -0.14 0.00 0.02 0.00 0.00 61.00 62.82 2qr0 s PRO 185 Cb 0.05 -1.91 -0.02 0.00 0.02 0.00 0.00 34.50 32.64 2qr0 s PRO 185 CO -0.08 -1.31 1.54 0.77 -0.33 0.00 0.00 177.00 177.60 2qr0 h SER 186 N 0.73 0.79 0.85 2.53 0.02 -1.89 -3.16 113.55 113.41 2qr0 h SER 186 Ca -0.50 -0.36 0.00 0.00 -0.84 0.00 0.00 61.79 60.09 2qr0 h SER 186 Cb 1.30 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.63 2qr0 h SER 186 CO 0.54 0.96 0.00 0.77 -1.14 0.00 0.00 176.83 177.97 2qr0 h SER 187 N 0.60 0.00 1.40 3.07 4.64 -1.93 -2.82 113.55 118.51 2qr0 h SER 187 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2qr0 h SER 187 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 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 -3.74 4.97 4.64 -1.95 -3.45 113.55 114.03 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 0.42 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.58 2qr0 h SER 188 CO 0.00 0.00 0.68 -0.76 -0.87 0.00 0.00 176.83 175.88 2qr0 s LEU 189 N -5.29 4.41 0.00 5.97 1.43 -1.07 -0.95 118.68 123.18 2qr0 s LEU 189 Ca 0.07 2.70 0.00 0.00 -1.03 0.00 0.00 54.13 55.87 2qr0 s LEU 189 Cb 0.09 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.67 2qr0 s LEU 189 CO 0.57 -0.61 0.00 0.61 0.23 0.00 0.00 176.35 177.15 2qr0 n GLY 190 N 1.18 2.51 0.08 -3.19 0.00 -1.26 -4.73 105.19 99.78 2qr0 n GLY 190 Ca 0.02 -0.60 -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 0.47 -3.92 2.61 2.02 -1.82 -3.46 112.91 108.81 2qr0 h THR 191 Ca 0.00 -1.26 -0.47 0.00 0.77 0.00 0.00 66.41 65.45 2qr0 h THR 191 Cb 0.00 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 2qr0 h THR 191 CO 0.00 0.15 0.36 -1.10 0.37 0.00 0.00 175.52 175.30 2qr0 s GLN 192 N -2.05 4.47 -0.26 6.66 -1.52 -0.12 -5.05 119.66 121.79 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 -0.01 -2.69 -0.01 0.00 -0.22 0.00 0.00 33.01 30.09 2qr0 s GLN 192 CO 0.22 0.17 0.04 0.99 -0.25 0.00 0.00 175.29 176.45 2qr0 s THR 193 N -1.68 3.89 -0.41 -0.19 2.01 -1.26 -4.81 115.64 113.18 2qr0 s THR 193 Ca 0.53 -0.46 -0.09 0.00 0.31 0.00 0.00 61.69 61.97 2qr0 s THR 193 Cb -0.18 -2.87 0.07 0.00 0.01 0.00 0.00 72.50 69.53 2qr0 s THR 193 CO 0.23 0.27 0.25 -0.31 -0.69 0.00 0.00 174.62 174.38 2qr0 s TYR 194 N 1.53 3.33 -0.04 4.92 2.02 -1.26 -4.94 117.35 122.91 2qr0 s TYR 194 Ca 0.05 -1.49 0.01 0.00 -0.37 0.00 0.00 57.07 55.27 2qr0 s TYR 194 Cb -0.16 -2.91 -0.03 0.00 -0.40 0.00 0.00 41.96 38.46 2qr0 s TYR 194 CO 0.01 -0.83 -0.06 0.96 -1.57 0.00 0.00 175.55 174.06 2qr0 s ILE 195 N 1.43 3.77 -0.16 2.71 -5.25 -1.26 -0.79 121.20 121.65 2qr0 s ILE 195 Ca 0.03 -0.57 -0.03 0.00 -0.99 0.00 0.00 60.65 59.09 2qr0 s ILE 195 Cb -0.23 -2.59 -0.02 0.00 2.95 0.00 0.00 42.46 42.57 2qr0 s ILE 195 CO 0.02 0.51 -0.05 0.00 -1.79 0.00 0.00 174.94 173.64 2qr0 s ASN 197 N 0.49 6.10 -0.05 0.00 -0.87 0.19 -2.25 114.94 118.55 2qr0 s ASN 197 Ca -0.04 -1.81 -0.14 0.00 -1.57 0.00 0.00 52.86 49.30 2qr0 s ASN 197 Cb -0.15 -2.17 -0.05 0.00 -0.02 0.00 0.00 41.25 38.86 2qr0 s ASN 197 CO 0.03 -0.83 0.37 -0.69 -2.57 0.00 0.00 177.10 173.41 2qr0 s VAL 198 N 1.56 5.14 -0.09 1.60 1.01 -0.53 -1.74 120.40 127.35 2qr0 s VAL 198 Ca 0.03 0.73 -0.03 0.00 0.00 0.00 0.00 61.98 62.72 2qr0 s VAL 198 Cb -0.29 -3.67 0.04 0.00 0.00 0.00 0.00 36.38 32.45 2qr0 s VAL 198 CO 0.02 0.53 0.05 0.21 0.00 0.00 0.00 175.10 175.92 2qr0 s ASN 199 N -0.67 1.64 -0.43 3.32 3.84 -0.55 -2.23 114.94 119.85 2qr0 s ASN 199 Ca 0.22 -0.18 -0.01 0.00 0.21 0.00 0.00 52.86 53.10 2qr0 s ASN 199 Cb -0.15 -0.26 0.12 0.00 -0.55 0.00 0.00 41.25 40.41 2qr0 s ASN 199 CO 0.11 -0.27 0.21 -2.28 -2.79 0.00 0.00 177.10 172.08 2qr0 s HIS 200 N 2.10 3.57 0.16 0.43 5.65 -0.83 -2.12 115.29 124.25 2qr0 s HIS 200 Ca 0.04 -2.61 -0.15 0.00 0.25 0.00 0.00 55.06 52.59 2qr0 s HIS 200 Cb -0.13 -3.15 0.03 0.00 -1.18 0.00 0.00 32.58 28.15 2qr0 s HIS 200 CO -0.05 -0.94 1.81 0.87 -0.65 0.00 0.00 174.74 175.78 2qr0 h LYS 201 N 7.74 0.61 0.00 2.88 1.57 -1.84 -2.82 116.57 124.72 2qr0 h LYS 201 Ca -0.09 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2qr0 h LYS 201 Cb 1.02 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.20 2qr0 h LYS 201 CO 0.67 0.43 0.00 -0.35 -0.57 0.00 0.00 179.45 179.63 2qr0 n PRO 202 N -4.75 0.44 -0.59 3.15 -0.05 -1.26 -1.66 135.00 130.28 2qr0 n PRO 202 Ca 0.02 0.04 0.05 0.00 -0.05 0.00 0.00 63.50 63.55 2qr0 n PRO 202 Cb 0.04 -1.50 0.08 0.00 -0.05 0.00 0.00 33.50 32.06 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 -1.10 1.14 -4.45 3.54 3.41 -1.17 -5.01 113.62 109.97 2qr0 n SER 203 Ca 0.11 -2.61 -0.40 0.00 -0.26 0.00 0.00 58.87 55.72 2qr0 n SER 203 Cb 0.08 -0.34 -0.07 0.00 -0.26 0.00 0.00 64.21 63.62 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 -0.48 -1.61 -4.52 4.04 3.02 -0.66 -4.92 115.26 110.13 2qr0 n ASN 204 Ca 0.09 -1.21 -0.38 0.00 -0.03 0.00 0.00 54.58 53.04 2qr0 n ASN 204 Cb 0.77 -1.82 -0.11 0.00 -0.61 0.00 0.00 39.78 38.01 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 -3.45 4.97 -0.25 3.41 -4.23 -1.08 -5.04 115.64 109.99 2qr0 s THR 205 Ca 0.68 -0.11 0.01 0.00 -1.18 0.00 0.00 61.69 61.09 2qr0 s THR 205 Cb -0.39 -3.44 0.04 0.00 1.34 0.00 0.00 72.50 70.05 2qr0 s THR 205 CO 1.01 0.16 -0.11 -0.54 -0.54 0.00 0.00 174.62 174.60 2qr0 s LYS 206 N 1.69 2.51 -0.06 3.99 -0.14 -1.26 -1.97 119.74 124.51 2qr0 s LYS 206 Ca 0.06 -1.17 0.05 0.00 -1.36 0.00 0.00 55.97 53.55 2qr0 s LYS 206 Cb -0.16 -2.87 -0.01 0.00 -1.68 0.00 0.00 37.83 33.11 2qr0 s LYS 206 CO 0.09 -0.47 -0.22 0.08 -0.76 0.00 0.00 175.35 174.06 2qr0 s VAL 207 N 1.19 1.82 -0.58 3.17 1.01 -0.95 -5.05 120.40 121.02 2qr0 s VAL 207 Ca -0.04 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 61.05 2qr0 s VAL 207 Cb -0.18 -1.55 0.15 0.00 0.00 0.00 0.00 36.38 34.80 2qr0 s VAL 207 CO -0.06 0.51 0.37 -1.81 0.00 0.00 0.00 175.10 174.11 2qr0 s ASP 208 N -0.03 4.16 -0.10 3.32 1.01 -1.26 -1.45 116.67 122.31 2qr0 s ASP 208 Ca -0.05 -3.33 -0.25 0.00 0.71 0.00 0.00 52.55 49.63 2qr0 s ASP 208 Cb -0.13 -1.42 -0.03 0.00 1.01 0.00 0.00 42.92 42.35 2qr0 s ASP 208 CO 0.04 -0.17 0.79 -0.75 0.21 0.00 0.00 175.17 175.29 2qr0 s LYS 209 N -0.67 4.39 -0.04 8.23 2.47 -0.95 -4.85 119.74 128.33 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 -3.51 -0.03 0.00 -1.46 0.00 0.00 37.83 32.70 2qr0 s LYS 209 CO -0.09 -0.12 0.88 0.21 0.16 0.00 0.00 175.35 176.38 2qr0 s LYS 210 N 1.42 4.50 -0.24 4.03 2.20 -1.26 -0.85 119.74 129.53 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 32.65 2qr0 s LYS 210 CO 0.17 -0.03 0.05 0.08 -0.36 0.00 0.00 175.35 175.25 2qr0 s VAL 211 N 1.03 4.17 0.07 4.02 1.01 0.03 -4.94 120.40 125.79 2qr0 s VAL 211 Ca 0.46 -0.22 0.01 0.00 0.00 0.00 0.00 61.98 62.22 2qr0 s VAL 211 Cb -0.20 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.21 2qr0 s VAL 211 CO 0.23 0.36 -0.05 -1.83 0.00 0.00 0.00 175.10 173.81 2qr0 s GLU 212 N 1.52 0.68 0.01 2.72 -1.05 -1.26 -4.19 118.70 117.13 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 0.02 -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 -4.75 135.00 125.06 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 1.33 0.21 -0.33 0.00 0.00 177.00 177.61 2qr0 s LYS 214 N 2.22 4.35 0.00 5.54 2.20 -1.26 -4.89 119.74 127.90 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 -3.30 0.00 0.00 -1.51 0.00 0.00 37.83 32.70 2qr0 s LYS 214 CO 0.27 -0.39 0.00 -1.13 -0.36 0.00 0.00 175.35 173.73 2qr0 n SER 215 N 4.05 0.00 0.00 1.43 3.41 -1.26 -5.15 113.62 116.11 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 0.44 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.39 2qr0 n SER 215 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88