#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qr0 s ILE 2 N 0.00 4.98 -0.30 0.53 1.09 -1.26 -5.04 121.20 121.20 2qr0 s ILE 2 Ca 0.00 1.38 -0.13 0.00 -1.10 0.00 0.00 60.65 60.81 2qr0 s ILE 2 Cb 0.00 -4.03 -0.04 0.00 -1.06 0.00 0.00 42.46 37.34 2qr0 s ILE 2 CO 0.00 0.11 0.25 -1.58 -0.10 0.00 0.00 174.94 173.62 2qr0 s GLN 3 N 1.80 3.83 -0.22 2.79 2.00 -1.26 -4.84 119.66 123.76 2qr0 s GLN 3 Ca 0.33 -0.33 -0.14 0.00 -2.00 0.00 0.00 55.36 53.22 2qr0 s GLN 3 Cb -0.16 -3.71 -0.04 0.00 0.80 0.00 0.00 33.01 29.90 2qr0 s GLN 3 CO 0.12 -0.29 0.33 -1.64 -0.50 0.00 0.00 175.29 173.31 2qr0 s MET 4 N 1.84 4.13 -0.30 1.67 -1.94 -1.26 -2.40 119.30 121.04 2qr0 s MET 4 Ca 0.09 0.06 0.03 0.00 -1.71 0.00 0.00 55.69 54.15 2qr0 s MET 4 Cb -0.16 -3.55 0.08 0.00 2.01 0.00 0.00 34.83 33.20 2qr0 s MET 4 CO 0.11 -0.03 -0.03 0.99 -0.01 0.00 0.00 175.02 176.05 2qr0 s THR 5 N 1.31 2.35 0.12 2.05 2.01 -0.59 -4.61 115.64 118.28 2qr0 s THR 5 Ca 0.15 -1.89 -0.20 0.00 0.31 0.00 0.00 61.69 60.07 2qr0 s THR 5 Cb -0.14 -2.52 -0.07 0.00 0.01 0.00 0.00 72.50 69.77 2qr0 s THR 5 CO 0.07 -0.27 0.63 -1.10 -0.69 0.00 0.00 174.62 173.26 2qr0 s GLN 6 N 1.05 4.26 -0.01 4.92 -0.21 -1.26 -1.15 119.66 127.26 2qr0 s GLN 6 Ca -0.01 0.82 0.01 0.00 0.02 0.00 0.00 55.36 56.20 2qr0 s GLN 6 Cb -0.20 -3.16 0.01 0.00 1.00 0.00 0.00 33.01 30.66 2qr0 s GLN 6 CO -0.06 0.57 -0.02 0.45 -2.12 0.00 0.00 175.29 174.12 2qr0 s SER 7 N -1.26 0.33 1.00 5.90 0.15 -0.41 -4.62 113.70 114.80 2qr0 s SER 7 Ca 0.33 -0.04 -0.05 0.00 0.70 0.00 0.00 55.95 56.89 2qr0 s SER 7 Cb -0.19 -0.10 0.07 0.00 -1.71 0.00 0.00 66.02 64.09 2qr0 s SER 7 CO 0.21 -0.02 0.42 -2.65 1.20 0.00 0.00 173.24 172.40 2qr0 n PRO 8 N 3.42 -0.49 -0.09 5.44 -0.02 -1.26 -1.52 135.00 140.49 2qr0 n PRO 8 Ca -0.18 -0.64 -0.14 0.00 -2.02 0.00 0.00 63.50 60.52 2qr0 n PRO 8 Cb 0.56 -0.44 -0.08 0.00 -0.02 0.00 0.00 33.50 33.52 2qr0 n PRO 8 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2qr0 h SER 9 N -0.61 0.00 -0.97 2.55 0.02 -1.87 -3.43 113.55 109.24 2qr0 h SER 9 Ca -0.14 -0.41 -0.65 0.00 -0.84 0.00 0.00 61.79 59.76 2qr0 h SER 9 Cb 0.38 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.78 2qr0 h SER 9 CO 0.10 1.14 -0.53 -0.94 -1.14 0.00 0.00 176.83 175.45 2qr0 s SER 10 N -6.35 3.89 -0.30 3.07 1.04 -1.26 -2.52 113.70 111.26 2qr0 s SER 10 Ca -0.21 -1.60 -0.16 0.00 0.48 0.00 0.00 55.95 54.45 2qr0 s SER 10 Cb 0.03 0.36 0.21 0.00 0.10 0.00 0.00 66.02 66.71 2qr0 s SER 10 CO 0.46 -0.79 1.25 -0.22 0.98 0.00 0.00 173.24 174.92 2qr0 s LEU 11 N -3.81 -0.09 -0.02 2.42 2.96 -0.93 -4.84 118.68 114.37 2qr0 s LEU 11 Ca 0.13 0.14 0.06 0.00 -0.22 0.00 0.00 54.13 54.25 2qr0 s LEU 11 Cb 0.03 1.13 -0.01 0.00 0.50 0.00 0.00 46.19 47.84 2qr0 s LEU 11 CO 0.07 -0.02 -0.21 -0.94 -1.32 0.00 0.00 176.35 173.92 2qr0 s SER 12 N 1.01 2.54 0.09 3.68 1.04 -1.26 -0.89 113.70 119.90 2qr0 s SER 12 Ca -0.07 -0.40 -0.04 0.00 0.48 0.00 0.00 55.95 55.92 2qr0 s SER 12 Cb -0.02 -0.36 -0.02 0.00 0.10 0.00 0.00 66.02 65.71 2qr0 s SER 12 CO -0.10 0.25 0.09 0.00 0.98 0.00 0.00 173.24 174.46 2qr0 s ALA 13 N -0.43 0.27 0.79 5.32 0.00 -1.23 -4.93 121.76 121.55 2qr0 s ALA 13 Ca 0.06 -1.02 -0.10 0.00 0.00 0.00 0.00 51.96 50.90 2qr0 s ALA 13 Cb -0.09 0.49 0.08 0.00 0.00 0.00 0.00 23.12 23.60 2qr0 s ALA 13 CO -0.00 -0.46 1.14 -1.12 0.00 0.00 0.00 175.76 175.31 2qr0 s SER 14 N -2.92 4.51 -0.05 0.00 0.01 -1.26 -0.65 113.70 113.33 2qr0 s SER 14 Ca 0.10 0.63 -0.30 0.00 1.31 0.00 0.00 55.95 57.69 2qr0 s SER 14 Cb 0.06 -1.14 -0.05 0.00 0.21 0.00 0.00 66.02 65.10 2qr0 s SER 14 CO -0.08 -1.86 1.48 -0.69 0.41 0.00 0.00 173.24 172.50 2qr0 s VAL 15 N -3.49 3.73 0.00 3.43 1.01 -1.25 -2.74 120.40 121.09 2qr0 s VAL 15 Ca 0.62 1.00 0.00 0.00 0.00 0.00 0.00 61.98 63.60 2qr0 s VAL 15 Cb -0.10 -3.64 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2qr0 s VAL 15 CO 0.48 -0.05 0.00 0.61 0.00 0.00 0.00 175.10 176.14 2qr0 n GLY 16 N 3.83 1.00 3.75 4.51 0.00 0.79 -4.98 105.19 114.10 2qr0 n GLY 16 Ca 0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.87 2qr0 n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2qr0 s ASP 17 N -1.93 3.98 -0.17 1.61 1.11 -1.11 -4.37 116.67 115.79 2qr0 s ASP 17 Ca 0.00 1.47 -0.15 0.00 0.18 0.00 0.00 52.55 54.05 2qr0 s ASP 17 Cb 0.00 -2.18 -0.04 0.00 1.07 0.00 0.00 42.92 41.77 2qr0 s ASP 17 CO 0.00 -2.31 0.36 -0.60 1.18 0.00 0.00 175.17 173.79 2qr0 s ARG 18 N -5.01 4.24 -0.06 8.23 3.52 -1.26 -1.68 118.95 126.93 2qr0 s ARG 18 Ca 0.62 0.18 0.04 0.00 -0.13 0.00 0.00 55.73 56.45 2qr0 s ARG 18 Cb -0.17 -3.47 -0.02 0.00 -1.56 0.00 0.00 34.95 29.74 2qr0 s ARG 18 CO 0.56 0.12 -0.19 0.08 -0.81 0.00 0.00 175.30 175.06 2qr0 s VAL 19 N 0.81 2.59 -0.17 7.11 1.01 -0.07 -5.00 120.40 126.68 2qr0 s VAL 19 Ca 0.19 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.28 2qr0 s VAL 19 Cb -0.14 -1.99 0.04 0.00 0.00 0.00 0.00 36.38 34.29 2qr0 s VAL 19 CO 0.06 0.57 -0.04 -0.89 0.00 0.00 0.00 175.10 174.80 2qr0 s THR 20 N -0.34 1.04 -0.18 3.92 2.01 -1.26 -0.91 115.64 119.92 2qr0 s THR 20 Ca 0.02 -0.61 -0.03 0.00 0.31 0.00 0.00 61.69 61.38 2qr0 s THR 20 Cb -0.12 -1.25 -0.02 0.00 0.01 0.00 0.00 72.50 71.12 2qr0 s THR 20 CO 0.02 0.09 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.36 2qr0 s ILE 21 N 1.66 3.54 0.10 1.82 1.01 -0.02 -4.77 121.20 124.54 2qr0 s ILE 21 Ca 0.00 -0.47 0.04 0.00 0.00 0.00 0.00 60.65 60.23 2qr0 s ILE 21 Cb -0.15 -2.56 -0.04 0.00 0.01 0.00 0.00 42.46 39.71 2qr0 s ILE 21 CO -0.08 0.47 0.04 0.42 0.00 0.00 0.00 174.94 175.79 2qr0 s THR 22 N 0.79 4.23 -0.15 2.92 -4.23 -0.57 -0.53 115.64 118.10 2qr0 s THR 22 Ca -0.02 -0.93 -0.04 0.00 -1.18 0.00 0.00 61.69 59.52 2qr0 s THR 22 Cb -0.15 -3.04 0.07 0.00 1.34 0.00 0.00 72.50 70.72 2qr0 s THR 22 CO 0.02 0.09 0.18 0.00 -0.54 0.00 0.00 174.62 174.37 2qr0 s ARG 24 N 2.29 3.80 0.19 0.00 3.52 -0.30 -1.35 118.95 127.10 2qr0 s ARG 24 Ca 0.04 -0.40 -0.15 0.00 -0.13 0.00 0.00 55.73 55.09 2qr0 s ARG 24 Cb -0.14 -3.44 -0.07 0.00 -1.56 0.00 0.00 34.95 29.73 2qr0 s ARG 24 CO -0.09 -0.14 0.60 0.00 -0.81 0.00 0.00 175.30 174.86 2qr0 s ALA 25 N 1.55 3.52 0.03 6.12 0.00 -0.82 -1.54 121.76 130.63 2qr0 s ALA 25 Ca 0.06 -0.08 -0.22 0.00 0.00 0.00 0.00 51.96 51.73 2qr0 s ALA 25 Cb -0.15 -2.59 -0.15 0.00 0.00 0.00 0.00 23.12 20.22 2qr0 s ALA 25 CO 0.06 0.43 1.34 0.66 0.00 0.00 0.00 175.76 178.25 2qr0 h SER 26 N 3.22 0.29 -4.53 0.00 4.64 -1.82 -3.46 113.55 111.88 2qr0 h SER 26 Ca -0.48 -0.47 -0.24 0.00 -0.47 0.00 0.00 61.79 60.14 2qr0 h SER 26 Cb 1.19 -0.08 -0.15 0.00 -0.31 0.00 0.00 62.40 63.05 2qr0 h SER 26 CO 0.66 0.69 -0.70 0.00 -0.87 0.00 0.00 176.83 176.62 2qr0 s GLN 27 N -4.35 0.86 0.01 4.77 -2.07 -1.26 -5.05 119.66 112.57 2qr0 s GLN 27 Ca -0.15 -1.34 -0.38 0.00 -1.82 0.00 0.00 55.36 51.68 2qr0 s GLN 27 Cb 0.04 -0.25 -0.17 0.00 -1.09 0.00 0.00 33.01 31.54 2qr0 s GLN 27 CO 0.73 -0.01 1.41 -1.13 -1.32 0.00 0.00 175.29 174.98 2qr0 n SER 28 N -0.04 1.73 -0.16 12.60 3.41 -1.26 -4.86 113.62 125.04 2qr0 n SER 28 Ca -0.12 1.11 0.07 0.00 -0.26 0.00 0.00 58.87 59.68 2qr0 n SER 28 Cb 0.61 -1.17 -0.05 0.00 -0.26 0.00 0.00 64.21 63.34 2qr0 n SER 28 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2qr0 n VAL 29 N 2.89 0.00 -4.51 -3.33 0.31 -1.26 -5.10 118.33 107.33 2qr0 n VAL 29 Ca 0.20 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 2qr0 n VAL 29 Cb 0.17 1.08 0.00 0.00 -0.91 0.00 0.00 33.84 34.19 2qr0 n VAL 29 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2qr0 n SER 30 N -0.80 -1.46 -2.86 4.52 3.41 -1.26 -3.88 113.62 111.28 2qr0 n SER 30 Ca 0.05 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.32 2qr0 n SER 30 Cb 0.28 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.22 2qr0 n SER 30 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2qr0 n SER 31 N -1.50 7.09 -3.15 4.04 3.41 -1.26 -4.76 113.62 117.48 2qr0 n SER 31 Ca 0.00 -3.43 -0.28 0.00 -0.26 0.00 0.00 58.87 54.90 2qr0 n SER 31 Cb 0.00 -1.20 -0.05 0.00 -0.26 0.00 0.00 64.21 62.70 2qr0 n SER 31 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qr0 n ALA 32 N 0.48 4.49 -2.77 7.33 0.00 -1.25 -3.77 120.51 125.02 2qr0 n ALA 32 Ca 0.52 -4.74 -0.16 0.00 0.00 0.00 0.00 53.44 49.07 2qr0 n ALA 32 Cb 0.39 -0.85 -0.13 0.00 0.00 0.00 0.00 19.45 18.86 2qr0 n ALA 32 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2qr0 s VAL 33 N -3.69 0.63 0.08 0.00 1.01 -1.26 -1.43 120.40 115.75 2qr0 s VAL 33 Ca 0.45 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.75 2qr0 s VAL 33 Cb 0.22 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.97 2qr0 s VAL 33 CO -0.09 -0.09 -0.13 0.00 0.00 0.00 0.00 175.10 174.79 2qr0 s ALA 34 N -0.77 1.19 -0.06 5.51 0.00 0.13 0.28 121.76 128.04 2qr0 s ALA 34 Ca -0.03 -1.08 0.05 0.00 0.00 0.00 0.00 51.96 50.91 2qr0 s ALA 34 Cb -0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.98 2qr0 s ALA 34 CO 0.00 0.11 -0.21 -1.58 0.00 0.00 0.00 175.76 174.08 2qr0 s TRP 35 N -1.66 2.54 0.24 0.00 0.52 -0.58 -0.31 118.94 119.70 2qr0 s TRP 35 Ca 0.01 -0.56 0.09 0.00 0.02 0.00 0.00 56.10 55.66 2qr0 s TRP 35 Cb -0.08 -1.63 -0.05 0.00 -1.15 0.00 0.00 33.47 30.56 2qr0 s TRP 35 CO 0.02 -0.11 -0.15 0.71 0.02 0.00 0.00 176.95 177.43 2qr0 s TYR 36 N -0.26 1.97 -0.21 -1.98 2.02 0.99 -0.87 117.35 119.01 2qr0 s TYR 36 Ca -0.00 -0.50 -0.02 0.00 -0.37 0.00 0.00 57.07 56.18 2qr0 s TYR 36 Cb -0.13 -0.92 0.06 0.00 -0.40 0.00 0.00 41.96 40.58 2qr0 s TYR 36 CO 0.03 0.49 0.03 -1.14 -1.57 0.00 0.00 175.55 173.39 2qr0 s GLN 37 N -3.60 0.74 -0.35 -0.62 0.74 -0.03 -1.66 119.66 114.88 2qr0 s GLN 37 Ca 0.26 -0.52 -0.09 0.00 0.05 0.00 0.00 55.36 55.06 2qr0 s GLN 37 Cb -0.02 -2.14 0.03 0.00 1.10 0.00 0.00 33.01 31.98 2qr0 s GLN 37 CO 0.11 -0.67 0.15 -1.14 -0.55 0.00 0.00 175.29 173.19 2qr0 s GLN 38 N 1.80 2.85 0.90 1.67 0.74 0.01 -1.72 119.66 125.92 2qr0 s GLN 38 Ca -0.01 -1.04 -0.12 0.00 0.05 0.00 0.00 55.36 54.24 2qr0 s GLN 38 Cb -0.17 -3.59 0.13 0.00 1.10 0.00 0.00 33.01 30.48 2qr0 s GLN 38 CO -0.09 -0.63 1.09 0.15 -0.55 0.00 0.00 175.29 175.26 2qr0 s LYS 39 N 1.51 1.21 0.14 1.67 3.01 -1.26 -1.37 119.74 124.64 2qr0 s LYS 39 Ca 0.01 0.78 -0.31 0.00 -1.01 0.00 0.00 55.97 55.44 2qr0 s LYS 39 Cb -0.19 -1.81 -0.08 0.00 -1.01 0.00 0.00 37.83 34.74 2qr0 s LYS 39 CO 0.05 -2.27 1.38 -2.14 0.51 0.00 0.00 175.35 172.88 2qr0 s PRO 40 N -4.95 4.33 -0.65 -1.68 0.02 -1.26 -3.09 135.00 127.72 2qr0 s PRO 40 Ca 0.63 2.09 0.00 0.00 0.02 0.00 0.00 61.00 63.74 2qr0 s PRO 40 Cb -0.18 -3.23 0.00 0.00 0.02 0.00 0.00 34.50 31.11 2qr0 s PRO 40 CO 0.57 -0.41 0.00 0.41 -0.33 0.00 0.00 177.00 177.24 2qr0 n GLY 41 N 3.24 0.84 3.30 0.52 0.00 -1.26 -5.01 105.19 106.83 2qr0 n GLY 41 Ca 0.10 -0.54 -0.16 0.00 0.00 0.00 0.00 46.02 45.43 2qr0 n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qr0 s LYS 42 N -2.24 1.36 0.49 1.61 1.02 -1.18 -5.16 119.74 115.64 2qr0 s LYS 42 Ca 0.00 -1.73 -0.10 0.00 0.02 0.00 0.00 55.97 54.16 2qr0 s LYS 42 Cb 0.00 -0.24 -0.05 0.00 -0.52 0.00 0.00 37.83 37.02 2qr0 s LYS 42 CO 0.00 -0.28 0.86 0.00 -0.92 0.00 0.00 175.35 175.01 2qr0 s ALA 43 N -3.76 3.27 0.52 5.17 0.00 -1.26 -4.60 121.76 121.09 2qr0 s ALA 43 Ca 0.36 -0.20 -0.22 0.00 0.00 0.00 0.00 51.96 51.90 2qr0 s ALA 43 Cb 0.08 -2.82 -0.07 0.00 0.00 0.00 0.00 23.12 20.31 2qr0 s ALA 43 CO 0.12 -0.28 1.21 -2.30 0.00 0.00 0.00 175.76 174.52 2qr0 n PRO 44 N -1.89 1.53 -5.01 0.00 -0.02 -1.26 -4.64 135.00 123.71 2qr0 n PRO 44 Ca 0.03 0.56 -0.32 0.00 -2.02 0.00 0.00 63.50 61.75 2qr0 n PRO 44 Cb 0.54 -2.38 -0.15 0.00 -0.02 0.00 0.00 33.50 31.49 2qr0 n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2qr0 s LYS 45 N -2.61 2.72 0.06 -0.52 2.20 -0.70 -4.92 119.74 115.97 2qr0 s LYS 45 Ca 0.69 -0.77 -0.30 0.00 -0.36 0.00 0.00 55.97 55.23 2qr0 s LYS 45 Cb -0.45 -2.35 -0.04 0.00 -1.51 0.00 0.00 37.83 33.47 2qr0 s LYS 45 CO 0.52 0.44 0.98 -1.17 -0.36 0.00 0.00 175.35 175.76 2qr0 s LEU 46 N -0.27 4.43 -0.14 5.43 2.96 -1.26 -0.85 118.68 128.98 2qr0 s LEU 46 Ca 0.01 1.74 -0.08 0.00 -0.22 0.00 0.00 54.13 55.58 2qr0 s LEU 46 Cb -0.13 -3.58 -0.06 0.00 0.50 0.00 0.00 46.19 42.92 2qr0 s LEU 46 CO 0.03 -0.18 -0.20 0.18 -1.32 0.00 0.00 176.35 174.86 2qr0 n LEU 47 N 3.37 1.20 -4.16 -0.68 4.77 -0.05 -4.83 117.00 116.61 2qr0 n LEU 47 Ca 0.04 0.20 -0.20 0.00 -0.03 0.00 0.00 56.01 56.03 2qr0 n LEU 47 Cb 0.50 -0.48 -0.13 0.00 -2.33 0.00 0.00 43.42 40.98 2qr0 n LEU 47 CO 0.52 0.15 -0.47 -0.63 -1.33 0.00 0.00 177.39 175.63 2qr0 s ILE 48 N -2.33 1.16 0.32 -0.08 1.09 -1.11 -1.50 121.20 118.75 2qr0 s ILE 48 Ca -0.21 -1.15 0.04 0.00 -1.10 0.00 0.00 60.65 58.23 2qr0 s ILE 48 Cb 0.07 -1.07 -0.04 0.00 -1.06 0.00 0.00 42.46 40.36 2qr0 s ILE 48 CO 0.27 -0.08 0.16 -0.72 -0.10 0.00 0.00 174.94 174.46 2qr0 s TYR 49 N -1.02 1.66 -1.62 3.97 1.13 -0.64 -1.52 117.35 119.30 2qr0 s TYR 49 Ca 0.01 -1.35 -0.18 0.00 -1.41 0.00 0.00 57.07 54.14 2qr0 s TYR 49 Cb -0.09 -0.92 0.18 0.00 -1.10 0.00 0.00 41.96 40.03 2qr0 s TYR 49 CO 0.02 -0.48 0.44 0.43 -2.51 0.00 0.00 175.55 173.45 2qr0 n SER 50 N -1.01 -1.21 0.00 -0.18 7.64 -1.04 -2.19 113.62 115.63 2qr0 n SER 50 Ca 0.00 -1.11 0.00 0.00 1.01 0.00 0.00 58.87 58.77 2qr0 n SER 50 Cb 0.65 -1.42 0.00 0.00 -1.01 0.00 0.00 64.21 62.43 2qr0 n SER 50 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qr0 n ALA 51 N -3.74 0.00 0.00 -0.43 0.00 0.14 -4.18 120.51 112.30 2qr0 n ALA 51 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2qr0 n ALA 51 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.89 2qr0 n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2qr0 n SER 52 N 0.92 1.75 -4.77 0.00 3.41 -1.06 -2.69 113.62 111.19 2qr0 n SER 52 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.22 2qr0 n SER 52 Cb 0.00 0.17 -0.05 0.00 -0.26 0.00 0.00 64.21 64.07 2qr0 n SER 52 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2qr0 s SER 53 N -1.77 7.22 -0.09 4.04 1.04 -0.93 -4.15 113.70 119.05 2qr0 s SER 53 Ca 0.00 2.09 -0.18 0.00 0.48 0.00 0.00 55.95 58.34 2qr0 s SER 53 Cb 0.00 -2.61 -0.05 0.00 0.10 0.00 0.00 66.02 63.47 2qr0 s SER 53 CO 0.00 -0.17 0.47 -0.22 0.98 0.00 0.00 173.24 174.31 2qr0 s LEU 54 N -1.80 4.31 0.54 2.42 2.96 -1.26 -1.62 118.68 124.23 2qr0 s LEU 54 Ca 0.48 0.85 -0.20 0.00 -0.22 0.00 0.00 54.13 55.05 2qr0 s LEU 54 Cb -0.26 -2.69 -0.06 0.00 0.50 0.00 0.00 46.19 43.68 2qr0 s LEU 54 CO 0.33 0.06 1.13 -0.47 -1.32 0.00 0.00 176.35 176.08 2qr0 s TYR 55 N 0.32 2.67 0.06 5.38 5.04 -0.56 -4.92 117.35 125.35 2qr0 s TYR 55 Ca 0.26 1.54 -0.30 0.00 -2.44 0.00 0.00 57.07 56.13 2qr0 s TYR 55 Cb -0.16 -3.30 -0.09 0.00 0.35 0.00 0.00 41.96 38.76 2qr0 s TYR 55 CO 0.11 -1.59 1.86 0.45 -1.34 0.00 0.00 175.55 175.04 2qr0 s SER 56 N -1.74 6.48 0.00 4.32 0.15 -1.26 -2.37 113.70 119.27 2qr0 s SER 56 Ca 0.72 2.64 0.00 0.00 0.70 0.00 0.00 55.95 60.02 2qr0 s SER 56 Cb -0.24 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.52 2qr0 s SER 56 CO 0.28 -1.01 0.00 0.61 1.20 0.00 0.00 173.24 174.32 2qr0 n GLY 57 N 4.34 0.62 3.74 9.45 0.00 -1.26 -5.06 105.19 117.02 2qr0 n GLY 57 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 2qr0 n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qr0 s VAL 58 N -2.44 4.92 0.71 1.61 1.01 -1.00 -5.05 120.40 120.17 2qr0 s VAL 58 Ca 0.00 1.40 -0.15 0.00 0.00 0.00 0.00 61.98 63.23 2qr0 s VAL 58 Cb 0.00 -4.01 0.03 0.00 0.00 0.00 0.00 36.38 32.40 2qr0 s VAL 58 CO 0.00 0.34 1.21 -2.16 0.00 0.00 0.00 175.10 174.49 2qr0 s PRO 59 N 0.23 2.24 0.54 2.72 0.04 -1.26 -4.91 135.00 134.59 2qr0 s PRO 59 Ca 0.35 1.79 0.32 0.00 0.04 0.00 0.00 61.00 63.50 2qr0 s PRO 59 Cb -0.18 -1.84 1.40 0.00 0.04 0.00 0.00 34.50 33.91 2qr0 s PRO 59 CO 0.19 -1.77 2.00 0.66 0.04 0.00 0.00 177.00 178.12 2qr0 h SER 60 N -0.14 0.00 -0.42 6.66 4.64 -1.99 -2.93 113.55 119.37 2qr0 h SER 60 Ca -0.48 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.85 2qr0 h SER 60 Cb 1.30 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.37 2qr0 h SER 60 CO 0.50 0.06 0.28 0.08 -0.87 0.00 0.00 176.83 176.89 2qr0 h ARG 61 N 0.00 0.52 -6.47 4.77 0.11 -1.93 -3.40 114.38 107.97 2qr0 h ARG 61 Ca -0.00 -0.03 -0.53 0.00 0.10 0.00 0.00 59.98 59.51 2qr0 h ARG 61 Cb 0.49 -0.12 0.01 0.00 1.11 0.00 0.00 29.97 31.46 2qr0 h ARG 61 CO 0.01 0.34 0.77 -0.06 0.10 0.00 0.00 179.97 181.13 2qr0 s PHE 62 N -5.48 3.06 -0.20 4.08 0.08 -1.11 -2.08 117.98 116.34 2qr0 s PHE 62 Ca -0.08 0.89 -0.08 0.00 0.12 0.00 0.00 56.93 57.78 2qr0 s PHE 62 Cb 0.18 -3.67 0.09 0.00 -0.57 0.00 0.00 43.02 39.04 2qr0 s PHE 62 CO 0.73 -2.42 0.44 -1.54 -0.10 0.00 0.00 175.22 172.33 2qr0 s SER 63 N 1.47 -0.38 0.21 1.36 1.04 -0.86 -4.98 113.70 111.56 2qr0 s SER 63 Ca 0.64 1.02 -0.06 0.00 0.48 0.00 0.00 55.95 58.03 2qr0 s SER 63 Cb -0.34 1.28 -0.06 0.00 0.10 0.00 0.00 66.02 67.00 2qr0 s SER 63 CO 0.29 -0.22 0.48 -0.83 0.98 0.00 0.00 173.24 173.94 2qr0 s GLY 64 N 2.34 2.13 0.20 7.32 0.00 -1.26 -1.06 107.32 116.99 2qr0 s GLY 64 Ca -0.04 -0.47 -0.15 0.00 0.00 0.00 0.00 44.72 44.06 2qr0 s GLY 64 CO -0.13 -0.37 0.46 -1.35 0.00 0.00 0.00 173.10 171.71 2qr0 s SER 65 N -2.63 -0.16 0.04 1.64 1.04 -0.70 -4.40 113.70 108.54 2qr0 s SER 65 Ca 0.44 -0.65 0.01 0.00 0.48 0.00 0.00 55.95 56.24 2qr0 s SER 65 Cb -0.11 0.55 -0.03 0.00 0.10 0.00 0.00 66.02 66.53 2qr0 s SER 65 CO 0.25 -1.03 -0.06 -0.60 0.98 0.00 0.00 173.24 172.77 2qr0 s ARG 66 N -3.92 0.52 -0.39 4.02 3.52 -1.26 -1.40 118.95 120.05 2qr0 s ARG 66 Ca 0.13 -0.83 0.11 0.00 -0.13 0.00 0.00 55.73 55.01 2qr0 s ARG 66 Cb -0.00 -0.15 0.35 0.00 -1.56 0.00 0.00 34.95 33.58 2qr0 s ARG 66 CO -0.00 0.01 0.81 0.45 -0.81 0.00 0.00 175.30 175.76 2qr0 n SER 67 N 1.21 0.20 -1.99 -2.12 2.88 -0.04 -5.00 113.62 108.76 2qr0 n SER 67 Ca -0.21 -3.14 -0.16 0.00 -1.33 0.00 0.00 58.87 54.02 2qr0 n SER 67 Cb 0.56 -0.11 -0.04 0.00 -0.75 0.00 0.00 64.21 63.87 2qr0 n SER 67 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2qr0 n GLY 68 N 0.29 0.42 0.00 0.46 0.00 -1.26 -3.27 105.19 101.82 2qr0 n GLY 68 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2qr0 n GLY 68 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2qr0 n THR 69 N -2.94 0.00 -3.14 2.61 -2.24 -1.26 -4.90 114.28 102.41 2qr0 n THR 69 Ca -0.18 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.17 2qr0 n THR 69 Cb 0.59 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.75 2qr0 n THR 69 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2qr0 s ASP 70 N 0.00 6.32 0.04 3.42 1.11 -1.20 -1.93 116.67 124.42 2qr0 s ASP 70 Ca 0.00 -0.33 -0.00 0.00 0.18 0.00 0.00 52.55 52.39 2qr0 s ASP 70 Cb 0.00 -2.31 -0.04 0.00 1.07 0.00 0.00 42.92 41.64 2qr0 s ASP 70 CO 0.00 -0.74 0.16 -0.36 1.18 0.00 0.00 175.17 175.42 2qr0 s PHE 71 N 2.73 3.44 -0.20 4.23 0.40 -0.46 -0.86 117.98 127.26 2qr0 s PHE 71 Ca 0.21 0.24 -0.04 0.00 -0.60 0.00 0.00 56.93 56.74 2qr0 s PHE 71 Cb -0.14 -1.75 0.09 0.00 0.51 0.00 0.00 43.02 41.73 2qr0 s PHE 71 CO 0.18 0.59 0.21 0.99 0.70 0.00 0.00 175.22 177.89 2qr0 s THR 72 N -1.41 -0.31 0.03 0.64 2.01 -0.49 0.22 115.64 116.33 2qr0 s THR 72 Ca 0.31 -0.10 -0.26 0.00 0.31 0.00 0.00 61.69 61.94 2qr0 s THR 72 Cb -0.13 -0.66 -0.05 0.00 0.01 0.00 0.00 72.50 71.68 2qr0 s THR 72 CO 0.23 -0.20 0.82 -0.22 -0.69 0.00 0.00 174.62 174.57 2qr0 s LEU 73 N 2.31 4.42 -0.12 4.42 0.20 0.31 -1.71 118.68 128.51 2qr0 s LEU 73 Ca 0.06 1.49 -0.00 0.00 0.69 0.00 0.00 54.13 56.38 2qr0 s LEU 73 Cb -0.16 -3.32 0.02 0.00 -0.43 0.00 0.00 46.19 42.30 2qr0 s LEU 73 CO -0.12 -0.07 -0.09 -0.89 -0.29 0.00 0.00 176.35 174.89 2qr0 s THR 74 N 0.30 1.13 -0.46 3.68 2.01 -0.23 -0.84 115.64 121.23 2qr0 s THR 74 Ca 0.42 -0.35 -0.17 0.00 0.31 0.00 0.00 61.69 61.90 2qr0 s THR 74 Cb -0.21 -1.12 0.05 0.00 0.01 0.00 0.00 72.50 71.23 2qr0 s THR 74 CO 0.24 0.38 0.47 -0.63 -0.69 0.00 0.00 174.62 174.40 2qr0 s ILE 75 N 1.64 5.08 0.19 1.82 1.01 -0.08 -2.03 121.20 128.83 2qr0 s ILE 75 Ca 0.04 -0.65 0.13 0.00 0.00 0.00 0.00 60.65 60.17 2qr0 s ILE 75 Cb -0.13 -4.14 -0.00 0.00 0.01 0.00 0.00 42.46 38.20 2qr0 s ILE 75 CO -0.08 -0.58 1.59 0.77 0.00 0.00 0.00 174.94 176.63 2qr0 h SER 76 N 8.81 0.00 -1.89 3.58 4.64 -1.68 -0.17 113.55 126.84 2qr0 h SER 76 Ca -0.27 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.52 2qr0 h SER 76 Cb 1.11 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.83 2qr0 h SER 76 CO 0.87 0.60 -1.02 -0.24 -0.87 0.00 0.00 176.83 176.16 2qr0 n SER 77 N -3.62 -0.28 -4.49 4.97 2.88 -1.26 -4.25 113.62 107.57 2qr0 n SER 77 Ca -0.00 -2.68 -0.46 0.00 -1.33 0.00 0.00 58.87 54.39 2qr0 n SER 77 Cb 0.64 -0.38 -0.02 0.00 -0.75 0.00 0.00 64.21 63.70 2qr0 n SER 77 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2qr0 n LEU 78 N 1.74 0.28 -3.97 2.46 7.94 -0.67 -4.56 117.00 120.21 2qr0 n LEU 78 Ca 0.22 1.15 -0.09 0.00 -1.11 0.00 0.00 56.01 56.18 2qr0 n LEU 78 Cb 0.53 -1.12 -0.11 0.00 0.53 0.00 0.00 43.42 43.25 2qr0 n LEU 78 CO 0.15 -2.19 -0.34 -1.10 -1.11 0.00 0.00 177.39 172.79 2qr0 s GLN 79 N -1.27 0.34 0.57 1.96 -0.21 -1.26 -0.15 119.66 119.64 2qr0 s GLN 79 Ca 0.61 -0.61 0.28 0.00 0.02 0.00 0.00 55.36 55.67 2qr0 s GLN 79 Cb -0.82 0.12 1.50 0.00 1.00 0.00 0.00 33.01 34.82 2qr0 s GLN 79 CO 0.58 -0.06 1.96 -1.00 -2.12 0.00 0.00 175.29 174.65 2qr0 h PRO 80 N 4.56 0.00 -0.21 2.91 0.13 -1.88 1.36 132.00 138.87 2qr0 h PRO 80 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2qr0 h PRO 80 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2qr0 h PRO 80 CO 0.42 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.34 2qr0 n GLU 81 N -3.90 1.52 0.00 0.86 0.00 -1.05 -3.25 120.64 114.82 2qr0 n GLU 81 Ca 0.08 -0.80 0.13 0.00 0.00 0.00 0.00 57.16 56.56 2qr0 n GLU 81 Cb 0.60 -1.21 0.34 0.00 0.00 0.00 0.00 31.44 31.18 2qr0 n GLU 81 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 2qr0 n ASP 82 N 0.13 1.39 -4.55 -1.84 8.00 0.46 -4.89 116.55 115.25 2qr0 n ASP 82 Ca 0.09 -1.18 -0.50 0.00 0.71 0.00 0.00 54.79 53.90 2qr0 n ASP 82 Cb 0.20 0.14 -0.06 0.00 -0.02 0.00 0.00 41.12 41.38 2qr0 n ASP 82 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2qr0 n PHE 83 N -0.26 1.87 -3.86 1.24 7.35 -1.20 -4.84 117.46 117.75 2qr0 n PHE 83 Ca 0.13 0.21 -0.01 0.00 -0.76 0.00 0.00 57.45 57.03 2qr0 n PHE 83 Cb 0.38 -2.57 0.01 0.00 0.35 0.00 0.00 39.48 37.65 2qr0 n PHE 83 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2qr0 s ALA 84 N 6.14 -1.99 -0.17 3.13 0.00 -1.07 -4.82 121.76 122.98 2qr0 s ALA 84 Ca 1.03 -0.01 -0.07 0.00 0.00 0.00 0.00 51.96 52.92 2qr0 s ALA 84 Cb -0.80 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 2qr0 s ALA 84 CO 0.51 -1.09 0.07 0.99 0.00 0.00 0.00 175.76 176.24 2qr0 s THR 85 N -2.27 4.86 -0.18 0.00 2.01 -0.47 -0.07 115.64 119.52 2qr0 s THR 85 Ca 0.22 -0.01 -0.03 0.00 0.31 0.00 0.00 61.69 62.18 2qr0 s THR 85 Cb -0.01 -3.17 -0.02 0.00 0.01 0.00 0.00 72.50 69.31 2qr0 s THR 85 CO 0.02 0.48 -0.06 -0.31 -0.69 0.00 0.00 174.62 174.06 2qr0 s TYR 86 N 0.17 2.94 -0.13 4.92 1.51 0.24 -0.81 117.35 126.20 2qr0 s TYR 86 Ca 0.05 -0.65 -0.00 0.00 -1.01 0.00 0.00 57.07 55.45 2qr0 s TYR 86 Cb -0.12 -2.00 -0.02 0.00 -0.11 0.00 0.00 41.96 39.72 2qr0 s TYR 86 CO 0.00 -0.30 -0.13 0.71 -1.11 0.00 0.00 175.55 174.73 2qr0 s TYR 87 N 0.85 2.82 0.58 2.71 2.02 -0.66 -0.87 117.35 124.80 2qr0 s TYR 87 Ca -0.02 -0.60 -0.07 0.00 -0.37 0.00 0.00 57.07 56.01 2qr0 s TYR 87 Cb -0.15 -1.84 -0.01 0.00 -0.40 0.00 0.00 41.96 39.57 2qr0 s TYR 87 CO 0.01 -0.18 0.91 0.00 -1.57 0.00 0.00 175.55 174.72 2qr0 s GLN 89 N -5.00 0.49 -0.08 0.00 0.74 0.58 -2.60 119.66 113.79 2qr0 s GLN 89 Ca 0.53 1.16 -0.04 0.00 0.05 0.00 0.00 55.36 57.05 2qr0 s GLN 89 Cb -0.11 0.40 -0.04 0.00 1.10 0.00 0.00 33.01 34.36 2qr0 s GLN 89 CO 0.47 -0.20 0.11 -1.14 -0.55 0.00 0.00 175.29 173.97 2qr0 s GLN 90 N 2.30 3.28 0.00 1.67 -0.44 -1.05 0.19 119.66 125.61 2qr0 s GLN 90 Ca -0.06 -0.27 0.00 0.00 -2.50 0.00 0.00 55.36 52.53 2qr0 s GLN 90 Cb -0.10 -3.04 0.00 0.00 -1.64 0.00 0.00 33.01 28.23 2qr0 s GLN 90 CO -0.16 0.73 0.00 2.48 0.50 0.00 0.00 175.29 178.84 2qr0 n TYR 91 N 1.75 0.00 -2.96 1.67 0.18 -0.51 -2.79 117.16 114.50 2qr0 n TYR 91 Ca -0.17 0.00 -0.00 0.00 1.88 0.00 0.00 57.90 59.61 2qr0 n TYR 91 Cb 0.54 0.00 -0.00 0.00 -0.38 0.00 0.00 39.34 39.50 2qr0 n TYR 91 CO 0.00 0.00 0.00 -1.13 -2.08 0.00 0.00 176.86 173.65 2qr0 n SER 92 N 0.00 -7.26 -4.55 9.48 3.41 -1.26 -4.70 113.62 108.74 2qr0 n SER 92 Ca 0.00 0.91 -0.50 0.00 -0.26 0.00 0.00 58.87 59.03 2qr0 n SER 92 Cb 0.00 -3.42 -0.04 0.00 -0.26 0.00 0.00 64.21 60.49 2qr0 n SER 92 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qr0 n TYR 93 N 1.02 1.03 0.00 7.33 9.36 -1.26 -4.89 117.16 129.75 2qr0 n TYR 93 Ca -0.00 0.75 0.00 0.00 3.32 0.00 0.00 57.90 61.97 2qr0 n TYR 93 Cb 0.26 -2.22 0.00 0.00 -0.63 0.00 0.00 39.34 36.75 2qr0 n TYR 93 CO 0.00 0.00 0.00 0.66 0.22 0.00 0.00 176.86 177.74 2qr0 n TYR 94 N 1.26 0.00 0.24 2.98 0.53 -1.26 -5.13 117.16 115.79 2qr0 n TYR 94 Ca 0.16 0.00 0.13 0.00 -1.02 0.00 0.00 57.90 57.17 2qr0 n TYR 94 Cb 0.23 0.00 0.51 0.00 -1.03 0.00 0.00 39.34 39.05 2qr0 n TYR 94 CO 0.00 0.00 0.00 -1.00 -1.02 0.00 0.00 176.86 174.84 2qr0 h PRO 95 N 0.00 0.00 -1.30 -0.72 0.13 -1.93 -3.47 132.00 124.71 2qr0 h PRO 95 Ca 0.00 0.00 0.25 0.00 -0.87 0.00 0.00 66.00 65.38 2qr0 h PRO 95 Cb 0.00 0.00 -0.22 0.00 0.13 0.00 0.00 31.00 30.91 2qr0 h PRO 95 CO 0.00 0.10 0.86 -0.59 -0.23 0.00 0.00 178.00 178.14 2qr0 s PHE 96 N -3.58 -0.10 0.22 1.56 -0.12 -1.26 -4.44 117.98 110.25 2qr0 s PHE 96 Ca 0.02 0.11 0.09 0.00 -0.05 0.00 0.00 56.93 57.09 2qr0 s PHE 96 Cb 0.09 0.50 -0.05 0.00 -0.63 0.00 0.00 43.02 42.93 2qr0 s PHE 96 CO 0.60 -0.14 -0.16 0.95 -0.05 0.00 0.00 175.22 176.43 2qr0 s THR 97 N -1.86 1.90 0.29 -4.49 -4.23 -1.12 -5.02 115.64 101.11 2qr0 s THR 97 Ca 0.09 -2.22 0.03 0.00 -1.18 0.00 0.00 61.69 58.41 2qr0 s THR 97 Cb -0.01 -2.07 0.03 0.00 1.34 0.00 0.00 72.50 71.78 2qr0 s THR 97 CO -0.05 -0.52 0.23 0.49 -0.54 0.00 0.00 174.62 174.23 2qr0 n PHE 98 N -0.35 -1.19 -3.48 3.99 3.01 -1.26 -2.53 117.46 115.64 2qr0 n PHE 98 Ca -0.08 -1.20 -0.13 0.00 1.01 0.00 0.00 57.45 57.05 2qr0 n PHE 98 Cb 0.60 -0.24 0.01 0.00 -0.01 0.00 0.00 39.48 39.84 2qr0 n PHE 98 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qr0 n GLY 99 N 1.53 2.57 0.20 1.37 0.00 -1.07 -4.48 105.19 105.32 2qr0 n GLY 99 Ca -0.00 -2.22 0.12 0.00 0.00 0.00 0.00 46.02 43.92 2qr0 n GLY 99 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2qr0 h GLN 100 N 0.00 0.00 0.00 1.61 7.50 -1.93 -3.47 115.11 118.82 2qr0 h GLN 100 Ca -0.18 0.00 0.00 0.00 0.50 0.00 0.00 58.65 58.97 2qr0 h GLN 100 Cb 0.69 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.22 2qr0 h GLN 100 CO 0.27 0.00 0.00 0.41 -1.50 0.00 0.00 178.83 178.01 2qr0 n GLY 101 N 1.12 0.90 3.23 3.46 0.00 -1.26 -5.02 105.19 107.62 2qr0 n GLY 101 Ca 0.04 -1.56 -0.34 0.00 0.00 0.00 0.00 46.02 44.15 2qr0 n GLY 101 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qr0 s THR 102 N -1.97 2.95 -0.76 2.61 2.01 -0.05 -4.81 115.64 115.63 2qr0 s THR 102 Ca 0.00 -0.80 -0.24 0.00 0.31 0.00 0.00 61.69 60.97 2qr0 s THR 102 Cb 0.00 -2.40 0.06 0.00 0.01 0.00 0.00 72.50 70.17 2qr0 s THR 102 CO 0.00 0.34 1.14 -0.54 -0.69 0.00 0.00 174.62 174.87 2qr0 s LYS 103 N 1.38 3.25 -0.04 4.92 1.02 -1.05 -0.59 119.74 128.64 2qr0 s LYS 103 Ca 0.03 -0.80 -0.30 0.00 0.02 0.00 0.00 55.97 54.92 2qr0 s LYS 103 Cb -0.15 -4.43 -0.03 0.00 -0.52 0.00 0.00 37.83 32.70 2qr0 s LYS 103 CO -0.05 -1.96 1.01 0.08 -0.92 0.00 0.00 175.35 173.50 2qr0 s VAL 104 N 4.52 4.78 0.44 3.17 1.01 0.90 -2.19 120.40 133.03 2qr0 s VAL 104 Ca 0.30 2.01 0.07 0.00 0.00 0.00 0.00 61.98 64.36 2qr0 s VAL 104 Cb -0.11 -4.29 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 2qr0 s VAL 104 CO 0.07 0.10 0.20 -1.61 0.00 0.00 0.00 175.10 173.85 2qr0 s GLU 105 N 1.40 2.23 -0.04 2.72 0.41 -0.07 -2.60 118.70 122.75 2qr0 s GLU 105 Ca 0.51 -1.92 0.06 0.00 -0.41 0.00 0.00 54.97 53.22 2qr0 s GLU 105 Cb -0.21 -1.96 -0.02 0.00 -1.78 0.00 0.00 34.13 30.17 2qr0 s GLU 105 CO 0.24 -0.21 -0.23 0.42 -0.49 0.00 0.00 175.26 175.00 2qr0 s ILE 106 N -2.65 2.33 -0.20 -1.63 -1.09 -1.26 -3.56 121.20 113.14 2qr0 s ILE 106 Ca 0.37 -1.00 -0.09 0.00 -2.23 0.00 0.00 60.65 57.71 2qr0 s ILE 106 Cb 0.03 -1.85 -0.05 0.00 -1.58 0.00 0.00 42.46 39.02 2qr0 s ILE 106 CO 0.21 0.58 0.10 -0.54 -1.23 0.00 0.00 174.94 174.06 2qr0 s LYS 107 N -0.54 4.08 0.28 2.79 1.02 0.17 -4.84 119.74 122.69 2qr0 s LYS 107 Ca 0.08 -0.28 0.06 0.00 0.02 0.00 0.00 55.97 55.85 2qr0 s LYS 107 Cb -0.11 -3.34 -0.02 0.00 -0.52 0.00 0.00 37.83 33.84 2qr0 s LYS 107 CO 0.00 0.26 0.24 2.89 -0.92 0.00 0.00 175.35 177.83 2qr0 n ARG 108 N 3.62 0.35 -1.73 1.68 -4.01 -1.26 -3.80 116.66 111.50 2qr0 n ARG 108 Ca -0.16 -2.79 -0.34 0.00 -1.04 0.00 0.00 57.85 53.52 2qr0 n ARG 108 Cb 0.52 2.31 0.05 0.00 -3.04 0.00 0.00 32.46 32.30 2qr0 n ARG 108 CO 0.00 0.00 0.00 0.95 -3.04 0.00 0.00 177.63 175.54 2qr0 s THR 109 N -3.13 2.99 0.19 8.89 -4.23 -1.26 -4.94 115.64 114.15 2qr0 s THR 109 Ca 0.33 0.49 -0.31 0.00 -1.18 0.00 0.00 61.69 61.02 2qr0 s THR 109 Cb 0.02 -3.03 -0.10 0.00 1.34 0.00 0.00 72.50 70.73 2qr0 s THR 109 CO 0.24 -0.26 1.56 -0.69 -0.54 0.00 0.00 174.62 174.93 2qr0 s VAL 110 N -2.18 2.54 -0.03 2.29 1.01 -1.26 -4.80 120.40 117.97 2qr0 s VAL 110 Ca 0.70 0.40 0.02 0.00 0.00 0.00 0.00 61.98 63.10 2qr0 s VAL 110 Cb -0.23 -3.26 0.01 0.00 0.00 0.00 0.00 36.38 32.90 2qr0 s VAL 110 CO 0.41 0.04 -0.08 0.00 0.00 0.00 0.00 175.10 175.47 2qr0 s ALA 111 N 0.89 0.82 0.09 5.51 0.00 -0.69 -4.95 121.76 123.44 2qr0 s ALA 111 Ca 0.68 -0.26 -0.14 0.00 0.00 0.00 0.00 51.96 52.25 2qr0 s ALA 111 Cb -0.44 -0.35 -0.06 0.00 0.00 0.00 0.00 23.12 22.26 2qr0 s ALA 111 CO 0.34 0.10 0.48 0.00 0.00 0.00 0.00 175.76 176.68 2qr0 s ALA 112 N 0.40 3.64 0.32 0.00 0.00 -1.26 -1.14 121.76 123.73 2qr0 s ALA 112 Ca -0.06 -0.20 -0.28 0.00 0.00 0.00 0.00 51.96 51.42 2qr0 s ALA 112 Cb -0.10 -2.44 -0.09 0.00 0.00 0.00 0.00 23.12 20.48 2qr0 s ALA 112 CO 0.01 0.49 1.12 -1.25 0.00 0.00 0.00 175.76 176.12 2qr0 s PRO 113 N -1.70 4.44 -0.13 0.00 0.04 -1.26 -4.63 135.00 131.76 2qr0 s PRO 113 Ca 0.33 1.80 -0.28 0.00 0.04 0.00 0.00 61.00 62.89 2qr0 s PRO 113 Cb -0.15 -2.99 -0.01 0.00 0.04 0.00 0.00 34.50 31.39 2qr0 s PRO 113 CO 0.18 0.03 0.92 -1.12 0.04 0.00 0.00 177.00 177.05 2qr0 s SER 114 N -1.00 7.12 -0.13 6.66 0.01 -0.94 -4.86 113.70 120.56 2qr0 s SER 114 Ca 0.49 1.37 -0.04 0.00 1.31 0.00 0.00 55.95 59.09 2qr0 s SER 114 Cb -0.31 -2.51 -0.03 0.00 0.21 0.00 0.00 66.02 63.38 2qr0 s SER 114 CO 0.39 -0.41 0.02 -0.69 0.41 0.00 0.00 173.24 172.96 2qr0 s VAL 115 N 1.98 4.40 0.09 3.43 1.01 -1.26 -1.57 120.40 128.49 2qr0 s VAL 115 Ca 0.44 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.26 2qr0 s VAL 115 Cb -0.18 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 2qr0 s VAL 115 CO 0.16 0.54 -0.09 -0.36 0.00 0.00 0.00 175.10 175.35 2qr0 s PHE 116 N -0.29 0.99 -0.01 5.22 0.08 -0.21 -5.00 117.98 118.76 2qr0 s PHE 116 Ca 0.07 -0.67 0.02 0.00 0.12 0.00 0.00 56.93 56.47 2qr0 s PHE 116 Cb -0.12 -0.55 -0.00 0.00 -0.57 0.00 0.00 43.02 41.77 2qr0 s PHE 116 CO 0.02 -0.03 -0.05 -1.50 -0.10 0.00 0.00 175.22 173.56 2qr0 s ILE 117 N -2.44 0.45 -0.12 0.64 2.07 -1.26 -0.24 121.20 120.30 2qr0 s ILE 117 Ca 0.04 -0.22 0.03 0.00 -1.41 0.00 0.00 60.65 59.09 2qr0 s ILE 117 Cb -0.03 -0.40 0.01 0.00 0.13 0.00 0.00 42.46 42.17 2qr0 s ILE 117 CO -0.01 0.14 -0.20 -0.36 -1.91 0.00 0.00 174.94 172.61 2qr0 s PHE 118 N 0.02 2.35 0.69 3.50 0.08 0.82 -5.00 117.98 120.44 2qr0 s PHE 118 Ca 0.00 -1.11 -0.11 0.00 0.12 0.00 0.00 56.93 55.83 2qr0 s PHE 118 Cb -0.04 -1.63 0.00 0.00 -0.57 0.00 0.00 43.02 40.79 2qr0 s PHE 118 CO -0.00 -0.51 1.07 -1.25 -0.10 0.00 0.00 175.22 174.42 2qr0 s PRO 119 N 0.77 3.01 0.56 0.24 0.04 -1.26 -1.83 135.00 136.54 2qr0 s PRO 119 Ca -0.10 0.67 -0.20 0.00 0.04 0.00 0.00 61.00 61.42 2qr0 s PRO 119 Cb -0.16 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.32 2qr0 s PRO 119 CO 0.01 -0.97 1.23 -2.14 0.04 0.00 0.00 177.00 175.16 2qr0 s PRO 120 N -5.21 3.13 0.41 0.56 0.02 -1.23 -4.86 135.00 127.82 2qr0 s PRO 120 Ca 0.57 1.91 -0.25 0.00 0.02 0.00 0.00 61.00 63.25 2qr0 s PRO 120 Cb -0.12 -2.07 -0.08 0.00 0.02 0.00 0.00 34.50 32.25 2qr0 s PRO 120 CO 0.53 -1.10 1.16 0.45 -0.33 0.00 0.00 177.00 177.72 2qr0 s SER 121 N -1.42 6.45 0.47 2.53 0.15 -1.26 -4.93 113.70 115.69 2qr0 s SER 121 Ca 0.74 2.32 0.14 0.00 0.70 0.00 0.00 55.95 59.84 2qr0 s SER 121 Cb -0.32 -2.61 1.10 0.00 -1.71 0.00 0.00 66.02 62.47 2qr0 s SER 121 CO 0.36 -0.73 2.08 0.44 1.20 0.00 0.00 173.24 176.59 2qr0 h ASP 122 N 2.48 0.09 0.04 5.45 3.45 -2.00 -1.15 116.42 124.79 2qr0 h ASP 122 Ca -0.49 -0.01 -0.09 0.00 0.43 0.00 0.00 57.03 56.87 2qr0 h ASP 122 Cb 1.24 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.97 2qr0 h ASP 122 CO 0.62 0.13 -0.28 -0.08 -1.57 0.00 0.00 179.24 178.07 2qr0 h GLU 123 N 0.11 0.37 -0.25 3.56 4.81 -2.01 -3.07 114.58 118.09 2qr0 h GLU 123 Ca 0.03 -0.14 -0.19 0.00 -0.13 0.00 0.00 59.36 58.92 2qr0 h GLU 123 Cb 0.10 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.46 2qr0 h GLU 123 CO 0.00 0.62 -0.60 0.37 -0.73 0.00 0.00 179.01 178.67 2qr0 h GLN 124 N 0.33 0.83 -0.06 1.92 4.15 -1.58 -3.18 115.11 117.52 2qr0 h GLN 124 Ca 0.05 -0.56 0.02 0.00 0.77 0.00 0.00 58.65 58.93 2qr0 h GLN 124 Cb 0.66 0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.43 2qr0 h GLN 124 CO 0.05 1.19 0.05 -0.07 -1.93 0.00 0.00 178.83 178.11 2qr0 h LEU 125 N 0.62 0.00 -0.71 -2.39 4.07 -1.26 -1.69 115.31 113.96 2qr0 h LEU 125 Ca -0.00 0.00 0.03 0.00 0.08 0.00 0.00 57.88 57.99 2qr0 h LEU 125 Cb 1.21 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.91 2qr0 h LEU 125 CO 0.13 0.00 0.45 0.11 -1.08 0.00 0.00 178.44 178.05 2qr0 h LYS 126 N 0.00 0.86 0.00 1.13 1.79 -1.52 -2.97 116.57 115.87 2qr0 h LYS 126 Ca 0.03 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 2qr0 h LYS 126 Cb 0.12 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.58 2qr0 h LYS 126 CO -0.00 0.57 0.00 0.66 -1.08 0.00 0.00 179.45 179.60 2qr0 h SER 127 N 0.89 0.00 0.00 0.86 4.64 -1.43 -3.47 113.55 115.05 2qr0 h SER 127 Ca 0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.60 2qr0 h SER 127 Cb -0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2qr0 h SER 127 CO -0.10 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.47 2qr0 n GLY 128 N 0.42 0.74 3.72 -0.77 0.00 -1.12 -5.09 105.19 103.09 2qr0 n GLY 128 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 2qr0 n GLY 128 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qr0 s THR 129 N -2.00 2.41 -0.14 2.61 -4.23 -1.25 -1.65 115.64 111.39 2qr0 s THR 129 Ca 0.00 -1.74 -0.04 0.00 -1.18 0.00 0.00 61.69 58.72 2qr0 s THR 129 Cb 0.00 -2.97 0.07 0.00 1.34 0.00 0.00 72.50 70.94 2qr0 s THR 129 CO 0.00 -0.04 0.25 0.00 -0.54 0.00 0.00 174.62 174.29 2qr0 s ALA 130 N -2.58 -0.49 -0.20 3.99 0.00 0.19 -3.76 121.76 118.91 2qr0 s ALA 130 Ca 0.40 0.81 -0.01 0.00 0.00 0.00 0.00 51.96 53.16 2qr0 s ALA 130 Cb 0.03 -1.05 0.01 0.00 0.00 0.00 0.00 23.12 22.11 2qr0 s ALA 130 CO 0.22 -0.72 -0.13 -1.12 0.00 0.00 0.00 175.76 174.02 2qr0 s SER 131 N 2.40 3.68 -0.12 0.00 0.01 -1.26 -0.12 113.70 118.30 2qr0 s SER 131 Ca 0.02 -0.56 -0.08 0.00 1.31 0.00 0.00 55.95 56.64 2qr0 s SER 131 Cb -0.13 -1.60 -0.04 0.00 0.21 0.00 0.00 66.02 64.47 2qr0 s SER 131 CO -0.09 -0.02 0.16 -0.69 0.41 0.00 0.00 173.24 173.02 2qr0 s VAL 132 N 1.37 5.47 -0.16 3.43 1.01 0.93 -3.48 120.40 128.97 2qr0 s VAL 132 Ca 0.05 0.26 0.01 0.00 0.00 0.00 0.00 61.98 62.29 2qr0 s VAL 132 Cb -0.14 -3.43 0.02 0.00 0.00 0.00 0.00 36.38 32.84 2qr0 s VAL 132 CO -0.09 0.60 -0.16 -0.69 0.00 0.00 0.00 175.10 174.77 2qr0 s VAL 133 N -0.93 1.71 -0.23 2.92 1.01 -0.76 0.14 120.40 124.25 2qr0 s VAL 133 Ca 0.15 -0.73 -0.09 0.00 0.00 0.00 0.00 61.98 61.31 2qr0 s VAL 133 Cb -0.12 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 2qr0 s VAL 133 CO 0.04 0.47 0.12 0.00 0.00 0.00 0.00 175.10 175.73 2qr0 s LEU 135 N 1.08 2.80 -0.20 0.00 1.98 0.67 -0.53 118.68 124.47 2qr0 s LEU 135 Ca 0.06 -0.41 -0.07 0.00 -2.89 0.00 0.00 54.13 50.82 2qr0 s LEU 135 Cb -0.14 -1.70 -0.04 0.00 0.66 0.00 0.00 46.19 44.97 2qr0 s LEU 135 CO 0.04 -0.00 0.05 -0.76 -1.89 0.00 0.00 176.35 173.79 2qr0 s LEU 136 N 1.37 3.62 -0.07 -0.68 1.02 0.16 -1.05 118.68 123.07 2qr0 s LEU 136 Ca 0.05 -0.04 0.04 0.00 0.02 0.00 0.00 54.13 54.20 2qr0 s LEU 136 Cb -0.14 -1.93 -0.00 0.00 0.02 0.00 0.00 46.19 44.14 2qr0 s LEU 136 CO -0.04 0.11 -0.20 0.21 0.02 0.00 0.00 176.35 176.45 2qr0 s ASN 137 N 0.75 2.56 -0.76 2.29 2.47 -0.61 0.42 114.94 122.06 2qr0 s ASN 137 Ca 0.03 -0.44 -0.02 0.00 0.42 0.00 0.00 52.86 52.85 2qr0 s ASN 137 Cb -0.14 -0.94 0.00 0.00 -1.45 0.00 0.00 41.25 38.72 2qr0 s ASN 137 CO 0.02 0.15 0.65 0.59 -3.72 0.00 0.00 177.10 174.79 2qr0 n ASN 138 N 3.35 -6.42 -4.12 -4.21 4.13 -0.64 -2.21 115.26 105.14 2qr0 n ASN 138 Ca -0.19 -0.46 -0.14 0.00 1.68 0.00 0.00 54.58 55.47 2qr0 n ASN 138 Cb 0.53 -3.59 -0.11 0.00 -1.54 0.00 0.00 39.78 35.07 2qr0 n ASN 138 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 2qr0 s PHE 139 N -2.94 0.90 -0.00 3.10 -0.71 0.96 -4.41 117.98 114.88 2qr0 s PHE 139 Ca 0.02 -0.58 -0.00 0.00 -1.04 0.00 0.00 56.93 55.32 2qr0 s PHE 139 Cb -0.00 -0.51 -0.00 0.00 -1.21 0.00 0.00 43.02 41.29 2qr0 s PHE 139 CO 0.82 -0.04 0.01 -0.47 -1.34 0.00 0.00 175.22 174.19 2qr0 s TYR 140 N -1.90 0.03 0.86 3.49 6.14 -0.29 -0.22 117.35 125.46 2qr0 s TYR 140 Ca -0.02 -0.06 -0.15 0.00 0.64 0.00 0.00 57.07 57.48 2qr0 s TYR 140 Cb -0.06 -0.03 0.20 0.00 0.42 0.00 0.00 41.96 42.49 2qr0 s TYR 140 CO 0.00 -0.04 1.13 -2.30 0.64 0.00 0.00 175.55 174.98 2qr0 n PRO 141 N 2.81 -1.25 -0.03 4.97 -0.02 -1.26 -1.70 135.00 138.51 2qr0 n PRO 141 Ca -0.14 -1.75 -0.02 0.00 -2.02 0.00 0.00 63.50 59.57 2qr0 n PRO 141 Cb 0.59 -1.20 0.23 0.00 -0.02 0.00 0.00 33.50 33.11 2qr0 n PRO 141 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 2qr0 h ARG 142 N 0.00 0.60 -5.37 -0.52 2.43 -1.98 -3.42 114.38 106.12 2qr0 h ARG 142 Ca -0.37 -0.16 -0.25 0.00 -0.81 0.00 0.00 59.98 58.39 2qr0 h ARG 142 Cb 1.02 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.48 2qr0 h ARG 142 CO 0.26 0.66 0.98 0.39 -1.51 0.00 0.00 179.97 180.76 2qr0 n GLU 143 N -4.22 0.63 -4.07 0.20 4.71 -1.26 -4.89 120.64 111.73 2qr0 n GLU 143 Ca 0.01 -0.38 -0.14 0.00 -0.01 0.00 0.00 57.16 56.65 2qr0 n GLU 143 Cb 0.30 -3.13 -0.13 0.00 -1.01 0.00 0.00 31.44 27.47 2qr0 n GLU 143 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2qr0 s ALA 144 N 11.83 0.37 -0.23 0.62 0.00 -1.26 -4.62 121.76 128.45 2qr0 s ALA 144 Ca 1.03 -0.37 -0.02 0.00 0.00 0.00 0.00 51.96 52.59 2qr0 s ALA 144 Cb -0.32 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 22.78 2qr0 s ALA 144 CO 0.24 0.03 -0.07 0.21 0.00 0.00 0.00 175.76 176.17 2qr0 s LYS 145 N -0.64 3.07 -0.12 0.00 2.20 -0.89 -5.03 119.74 118.34 2qr0 s LYS 145 Ca -0.03 -0.82 -0.03 0.00 -0.36 0.00 0.00 55.97 54.73 2qr0 s LYS 145 Cb -0.05 -2.96 -0.03 0.00 -1.51 0.00 0.00 37.83 33.29 2qr0 s LYS 145 CO -0.00 -0.30 -0.02 0.08 -0.36 0.00 0.00 175.35 174.75 2qr0 s VAL 146 N 1.39 4.10 -0.03 4.02 1.01 -1.26 -1.19 120.40 128.44 2qr0 s VAL 146 Ca 0.03 -0.30 0.01 0.00 0.00 0.00 0.00 61.98 61.72 2qr0 s VAL 146 Cb -0.15 -2.76 0.02 0.00 0.00 0.00 0.00 36.38 33.49 2qr0 s VAL 146 CO -0.05 0.55 -0.03 -1.58 0.00 0.00 0.00 175.10 173.99 2qr0 s GLN 147 N -0.28 0.54 0.15 2.72 0.74 -0.84 -4.97 119.66 117.72 2qr0 s GLN 147 Ca 0.05 -0.06 -0.10 0.00 0.05 0.00 0.00 55.36 55.30 2qr0 s GLN 147 Cb -0.12 -0.60 -0.07 0.00 1.10 0.00 0.00 33.01 33.32 2qr0 s GLN 147 CO 0.02 -0.05 0.49 -1.58 -0.55 0.00 0.00 175.29 173.62 2qr0 s TRP 148 N 0.69 3.53 -0.17 1.67 0.52 -1.26 0.33 118.94 124.25 2qr0 s TRP 148 Ca -0.08 0.86 -0.02 0.00 0.02 0.00 0.00 56.10 56.89 2qr0 s TRP 148 Cb -0.11 -2.23 0.05 0.00 -1.15 0.00 0.00 33.47 30.03 2qr0 s TRP 148 CO -0.01 0.41 0.00 0.15 0.02 0.00 0.00 176.95 177.52 2qr0 s LYS 149 N -2.29 0.92 -0.44 4.98 3.01 0.37 -3.49 119.74 122.80 2qr0 s LYS 149 Ca 0.40 -0.41 -0.12 0.00 -1.01 0.00 0.00 55.97 54.82 2qr0 s LYS 149 Cb -0.13 -1.95 0.07 0.00 -1.01 0.00 0.00 37.83 34.81 2qr0 s LYS 149 CO 0.20 -0.53 0.31 0.08 0.51 0.00 0.00 175.35 175.92 2qr0 s VAL 150 N 1.78 4.71 -1.22 3.17 1.01 -0.85 -0.77 120.40 128.23 2qr0 s VAL 150 Ca -0.00 -1.19 -0.07 0.00 0.00 0.00 0.00 61.98 60.72 2qr0 s VAL 150 Cb -0.16 -3.82 -0.01 0.00 0.00 0.00 0.00 36.38 32.38 2qr0 s VAL 150 CO -0.07 -0.51 0.75 0.47 0.00 0.00 0.00 175.10 175.74 2qr0 n ASP 151 N 5.05 -3.13 -2.51 3.32 8.00 -0.03 -2.37 116.55 124.88 2qr0 n ASP 151 Ca -0.11 -0.86 -0.16 0.00 0.71 0.00 0.00 54.79 54.36 2qr0 n ASP 151 Cb 0.44 -4.02 -0.00 0.00 -0.02 0.00 0.00 41.12 37.51 2qr0 n ASP 151 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2qr0 n ASN 152 N -2.98 -4.63 -4.30 -2.24 4.13 -1.26 -4.98 115.26 99.01 2qr0 n ASN 152 Ca -0.21 0.07 -0.33 0.00 1.68 0.00 0.00 54.58 55.79 2qr0 n ASN 152 Cb 0.65 -3.88 -0.15 0.00 -1.54 0.00 0.00 39.78 34.85 2qr0 n ASN 152 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qr0 s ALA 153 N -2.79 2.55 1.28 5.41 0.00 -1.00 -5.09 121.76 122.12 2qr0 s ALA 153 Ca 0.04 -1.01 -0.16 0.00 0.00 0.00 0.00 51.96 50.83 2qr0 s ALA 153 Cb -0.02 -1.25 0.33 0.00 0.00 0.00 0.00 23.12 22.18 2qr0 s ALA 153 CO 0.05 0.02 0.98 -0.48 0.00 0.00 0.00 175.76 176.33 2qr0 s LEU 154 N 0.72 -0.03 0.12 0.00 2.34 -1.26 -2.00 118.68 118.58 2qr0 s LEU 154 Ca -0.06 1.30 0.04 0.00 0.06 0.00 0.00 54.13 55.47 2qr0 s LEU 154 Cb -0.15 -3.00 -0.04 0.00 -0.56 0.00 0.00 46.19 42.44 2qr0 s LEU 154 CO 0.01 -4.77 -0.10 -1.10 -1.06 0.00 0.00 176.35 169.33 2qr0 s GLN 155 N -4.60 0.96 -0.05 1.48 -1.52 -1.23 -4.80 119.66 109.89 2qr0 s GLN 155 Ca 0.69 -1.31 0.02 0.00 -1.95 0.00 0.00 55.36 52.80 2qr0 s GLN 155 Cb -0.22 -0.57 0.02 0.00 -0.22 0.00 0.00 33.01 32.01 2qr0 s GLN 155 CO 0.63 0.08 -0.09 -1.12 -0.25 0.00 0.00 175.29 174.54 2qr0 s SER 156 N -2.83 1.41 -0.32 5.90 0.01 -1.26 -4.93 113.70 111.69 2qr0 s SER 156 Ca 0.11 -0.23 -0.04 0.00 1.31 0.00 0.00 55.95 57.11 2qr0 s SER 156 Cb 0.00 -0.64 0.04 0.00 0.21 0.00 0.00 66.02 65.64 2qr0 s SER 156 CO 0.00 0.01 0.10 0.61 0.41 0.00 0.00 173.24 174.37 2qr0 n GLY 157 N 3.82 -0.11 0.08 3.44 0.00 -1.26 -4.60 105.19 106.56 2qr0 n GLY 157 Ca -0.23 0.01 0.10 0.00 0.00 0.00 0.00 46.02 45.90 2qr0 n GLY 157 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2qr0 n ASN 158 N -0.14 2.30 -3.80 1.61 2.04 -1.26 -5.01 115.26 111.00 2qr0 n ASN 158 Ca 0.02 -3.06 -0.13 0.00 -0.44 0.00 0.00 54.58 50.97 2qr0 n ASN 158 Cb 0.12 -0.42 -0.11 0.00 -2.53 0.00 0.00 39.78 36.83 2qr0 n ASN 158 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 2qr0 s SER 159 N -2.83 -0.21 0.03 0.53 1.04 -1.26 -2.04 113.70 108.95 2qr0 s SER 159 Ca 0.31 0.39 0.06 0.00 0.48 0.00 0.00 55.95 57.19 2qr0 s SER 159 Cb 0.27 0.44 -0.02 0.00 0.10 0.00 0.00 66.02 66.81 2qr0 s SER 159 CO 0.03 -0.12 -0.18 -1.10 0.98 0.00 0.00 173.24 172.85 2qr0 s GLN 160 N -0.07 1.25 -0.08 4.02 -0.21 -1.03 -4.92 119.66 118.63 2qr0 s GLN 160 Ca -0.02 -0.79 -0.02 0.00 0.02 0.00 0.00 55.36 54.55 2qr0 s GLN 160 Cb -0.02 -1.29 -0.03 0.00 1.00 0.00 0.00 33.01 32.66 2qr0 s GLN 160 CO 0.01 0.33 0.02 -1.21 -2.12 0.00 0.00 175.29 172.32 2qr0 s GLU 161 N -0.94 3.03 -0.05 2.91 2.02 -1.26 -1.00 118.70 123.41 2qr0 s GLU 161 Ca 0.06 -0.38 0.03 0.00 0.02 0.00 0.00 54.97 54.69 2qr0 s GLU 161 Cb -0.08 -2.83 0.00 0.00 0.10 0.00 0.00 34.13 31.32 2qr0 s GLU 161 CO 0.01 0.71 -0.14 0.45 0.02 0.00 0.00 175.26 176.31 2qr0 s SER 162 N -0.94 1.85 -0.12 -0.19 0.15 -0.08 -5.00 113.70 109.36 2qr0 s SER 162 Ca 0.14 -0.30 0.03 0.00 0.70 0.00 0.00 55.95 56.51 2qr0 s SER 162 Cb -0.11 -0.61 0.00 0.00 -1.71 0.00 0.00 66.02 63.59 2qr0 s SER 162 CO 0.03 0.10 -0.21 -0.69 1.20 0.00 0.00 173.24 173.67 2qr0 s VAL 163 N 0.24 2.20 0.69 4.45 1.01 -1.26 -0.98 120.40 126.75 2qr0 s VAL 163 Ca -0.07 -0.95 -0.16 0.00 0.00 0.00 0.00 61.98 60.80 2qr0 s VAL 163 Cb -0.12 -1.87 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 2qr0 s VAL 163 CO 0.02 0.55 0.80 0.41 0.00 0.00 0.00 175.10 176.89 2qr0 n THR 164 N 3.79 2.63 -3.21 3.92 -1.04 0.62 -4.99 114.28 116.00 2qr0 n THR 164 Ca -0.19 -0.41 -0.35 0.00 -2.04 0.00 0.00 64.05 61.05 2qr0 n THR 164 Cb 0.52 -0.97 -0.06 0.00 -1.82 0.00 0.00 70.33 68.00 2qr0 n THR 164 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 2qr0 s GLU 165 N -2.99 4.11 0.11 -2.82 2.56 -1.26 -4.57 118.70 113.84 2qr0 s GLU 165 Ca 0.71 0.68 -0.36 0.00 0.00 0.00 0.00 54.97 56.01 2qr0 s GLU 165 Cb -0.36 -2.85 -0.17 0.00 2.00 0.00 0.00 34.13 32.75 2qr0 s GLU 165 CO 0.52 0.40 1.25 0.94 -0.56 0.00 0.00 175.26 177.82 2qr0 n GLN 166 N 0.63 1.06 -2.13 4.30 7.27 -1.26 -4.86 117.38 122.39 2qr0 n GLN 166 Ca -0.03 0.38 -0.38 0.00 0.07 0.00 0.00 57.00 57.05 2qr0 n GLN 166 Cb 0.52 -1.96 0.00 0.00 2.41 0.00 0.00 30.24 31.21 2qr0 n GLN 166 CO 0.00 0.00 0.00 0.34 0.07 0.00 0.00 177.06 177.47 2qr0 s ASP 167 N 0.27 5.96 0.25 1.69 2.15 -0.76 -4.94 116.67 121.29 2qr0 s ASP 167 Ca 0.81 2.44 0.13 0.00 0.43 0.00 0.00 52.55 56.36 2qr0 s ASP 167 Cb -0.94 -2.61 0.02 0.00 -0.30 0.00 0.00 42.92 39.09 2qr0 s ASP 167 CO 0.49 -1.07 1.42 0.77 -0.17 0.00 0.00 175.17 176.61 2qr0 h SER 168 N 1.95 0.00 0.00 -0.34 4.64 -1.89 -2.88 113.55 115.03 2qr0 h SER 168 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 2qr0 h SER 168 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 2qr0 h SER 168 CO 0.60 0.61 -0.13 0.11 -0.87 0.00 0.00 176.83 177.14 2qr0 h LYS 169 N 0.00 0.00 0.00 4.77 1.57 -1.93 -2.78 116.57 118.20 2qr0 h LYS 169 Ca -0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2qr0 h LYS 169 Cb 1.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.76 2qr0 h LYS 169 CO 0.08 0.00 -0.85 -0.40 -0.57 0.00 0.00 179.45 177.71 2qr0 n ASP 170 N -2.98 0.82 -0.93 0.86 5.68 -1.26 -4.82 116.55 113.92 2qr0 n ASP 170 Ca -0.02 -0.72 -0.10 0.00 -0.50 0.00 0.00 54.79 53.45 2qr0 n ASP 170 Cb 0.07 0.77 -0.03 0.00 -1.14 0.00 0.00 41.12 40.78 2qr0 n ASP 170 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2qr0 n SER 171 N -1.52 -3.96 -4.95 -1.12 7.64 -1.09 -4.99 113.62 103.63 2qr0 n SER 171 Ca 0.04 0.16 -0.24 0.00 1.01 0.00 0.00 58.87 59.85 2qr0 n SER 171 Cb 0.34 -2.67 0.04 0.00 -1.01 0.00 0.00 64.21 60.91 2qr0 n SER 171 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2qr0 s THR 172 N -2.43 3.10 0.33 0.44 -4.23 -1.26 -4.55 115.64 107.03 2qr0 s THR 172 Ca 0.00 -0.39 0.09 0.00 -1.18 0.00 0.00 61.69 60.21 2qr0 s THR 172 Cb 0.00 -3.21 -0.05 0.00 1.34 0.00 0.00 72.50 70.58 2qr0 s THR 172 CO 0.00 -0.18 0.06 -0.31 -0.54 0.00 0.00 174.62 173.66 2qr0 s TYR 173 N -2.87 2.63 0.07 3.99 1.51 0.70 -1.83 117.35 121.55 2qr0 s TYR 173 Ca 0.55 -0.39 0.01 0.00 -1.01 0.00 0.00 57.07 56.23 2qr0 s TYR 173 Cb -0.10 -1.52 -0.04 0.00 -0.11 0.00 0.00 41.96 40.19 2qr0 s TYR 173 CO 0.41 0.44 -0.06 -1.12 -1.11 0.00 0.00 175.55 174.11 2qr0 s SER 174 N -3.77 0.89 -0.17 2.29 0.01 -1.26 -0.02 113.70 111.66 2qr0 s SER 174 Ca 0.36 -0.93 -0.14 0.00 1.31 0.00 0.00 55.95 56.55 2qr0 s SER 174 Cb -0.02 0.12 0.05 0.00 0.21 0.00 0.00 66.02 66.38 2qr0 s SER 174 CO 0.21 -0.47 0.44 -0.22 0.41 0.00 0.00 173.24 173.61 2qr0 s LEU 175 N -2.77 0.17 -0.10 2.44 0.20 0.17 -0.28 118.68 118.52 2qr0 s LEU 175 Ca 0.07 0.91 0.04 0.00 0.69 0.00 0.00 54.13 55.83 2qr0 s LEU 175 Cb 0.04 1.49 -0.00 0.00 -0.43 0.00 0.00 46.19 47.29 2qr0 s LEU 175 CO -0.05 -0.17 -0.22 -0.94 -0.29 0.00 0.00 176.35 174.67 2qr0 s SER 176 N 0.58 3.23 -0.15 3.68 1.04 -0.16 0.41 113.70 122.33 2qr0 s SER 176 Ca -0.03 -0.51 -0.02 0.00 0.48 0.00 0.00 55.95 55.86 2qr0 s SER 176 Cb -0.05 -1.34 -0.02 0.00 0.10 0.00 0.00 66.02 64.71 2qr0 s SER 176 CO -0.03 0.18 -0.07 -0.55 0.98 0.00 0.00 173.24 173.74 2qr0 s SER 177 N 0.25 4.47 -0.33 7.02 0.15 0.31 -0.90 113.70 124.68 2qr0 s SER 177 Ca -0.15 -0.22 0.02 0.00 0.70 0.00 0.00 55.95 56.31 2qr0 s SER 177 Cb -0.17 -1.72 0.09 0.00 -1.71 0.00 0.00 66.02 62.51 2qr0 s SER 177 CO 0.08 0.16 0.03 -0.89 1.20 0.00 0.00 173.24 173.81 2qr0 s THR 178 N 0.42 2.44 -0.41 6.45 2.01 -0.17 -0.45 115.64 125.94 2qr0 s THR 178 Ca -0.06 -2.06 -0.24 0.00 0.31 0.00 0.00 61.69 59.63 2qr0 s THR 178 Cb -0.15 -2.67 0.02 0.00 0.01 0.00 0.00 72.50 69.71 2qr0 s THR 178 CO 0.04 -0.44 0.84 -0.22 -0.69 0.00 0.00 174.62 174.15 2qr0 s LEU 179 N 1.01 4.10 -0.18 4.42 2.96 0.12 -2.45 118.68 128.67 2qr0 s LEU 179 Ca 0.05 0.24 -0.07 0.00 -0.22 0.00 0.00 54.13 54.12 2qr0 s LEU 179 Cb -0.20 -3.09 -0.04 0.00 0.50 0.00 0.00 46.19 43.36 2qr0 s LEU 179 CO -0.06 -0.87 0.05 -0.89 -1.32 0.00 0.00 176.35 173.26 2qr0 s THR 180 N 3.37 4.69 0.24 3.68 2.01 -0.87 -0.05 115.64 128.72 2qr0 s THR 180 Ca 0.34 -0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.27 2qr0 s THR 180 Cb -0.12 -3.10 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 2qr0 s THR 180 CO 0.21 0.47 0.19 -0.76 -0.69 0.00 0.00 174.62 174.04 2qr0 s LEU 181 N 0.31 1.25 0.55 4.42 1.43 0.84 -4.85 118.68 122.62 2qr0 s LEU 181 Ca 0.03 -1.46 -0.08 0.00 -1.03 0.00 0.00 54.13 51.59 2qr0 s LEU 181 Cb -0.12 0.51 -0.03 0.00 0.03 0.00 0.00 46.19 46.57 2qr0 s LEU 181 CO 0.00 -0.92 0.90 -0.94 0.23 0.00 0.00 176.35 175.63 2qr0 s SER 182 N -3.20 6.15 0.21 2.29 1.04 -1.26 -0.64 113.70 118.29 2qr0 s SER 182 Ca 0.39 1.09 -0.09 0.00 0.48 0.00 0.00 55.95 57.81 2qr0 s SER 182 Cb 0.05 -2.26 0.17 0.00 0.10 0.00 0.00 66.02 64.09 2qr0 s SER 182 CO 0.16 -0.76 1.87 0.50 0.98 0.00 0.00 173.24 175.99 2qr0 h LYS 183 N -0.05 1.06 -0.30 4.02 3.64 -1.54 -0.21 116.57 123.20 2qr0 h LYS 183 Ca -0.46 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 58.80 2qr0 h LYS 183 Cb 1.21 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 2qr0 h LYS 183 CO 0.62 0.73 0.03 0.00 -2.27 0.00 0.00 179.45 178.56 2qr0 h ALA 184 N 1.27 0.39 -0.41 5.00 0.00 -1.94 -0.09 119.26 123.49 2qr0 h ALA 184 Ca 0.29 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 2qr0 h ALA 184 Cb -0.08 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2qr0 h ALA 184 CO -0.06 0.11 -0.21 0.22 0.00 0.00 0.00 179.25 179.31 2qr0 h ASP 185 N 0.31 0.82 -0.42 0.00 3.58 -1.92 -2.79 116.42 116.00 2qr0 h ASP 185 Ca 0.09 -0.29 -0.07 0.00 0.42 0.00 0.00 57.03 57.17 2qr0 h ASP 185 Cb 0.38 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.18 2qr0 h ASP 185 CO 0.01 1.01 0.00 0.22 -2.88 0.00 0.00 179.24 177.60 2qr0 h TYR 186 N 0.70 0.87 0.00 0.28 5.03 -0.92 -3.01 116.97 119.92 2qr0 h TYR 186 Ca 0.10 -0.12 0.00 0.00 2.58 0.00 0.00 58.73 61.29 2qr0 h TYR 186 Cb 0.73 -0.24 0.00 0.00 1.55 0.00 0.00 36.73 38.77 2qr0 h TYR 186 CO 0.04 0.80 0.00 0.39 -1.32 0.00 0.00 178.16 178.06 2qr0 n GLU 187 N -4.21 0.84 -0.35 1.82 -0.58 -0.06 -3.23 120.64 114.88 2qr0 n GLU 187 Ca 0.03 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.84 2qr0 n GLU 187 Cb 0.30 -1.47 0.22 0.00 -0.57 0.00 0.00 31.44 29.93 2qr0 n GLU 187 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2qr0 n LYS 188 N -0.97 3.01 -3.92 3.49 3.00 -1.14 -4.98 118.16 116.65 2qr0 n LYS 188 Ca 0.19 -2.50 -0.10 0.00 -0.00 0.00 0.00 58.31 55.91 2qr0 n LYS 188 Cb 0.09 -1.60 -0.10 0.00 0.00 0.00 0.00 35.03 33.42 2qr0 n LYS 188 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.40 176.39 2qr0 s HIS 189 N -1.91 0.17 -0.18 5.64 3.76 -1.20 -5.10 115.29 116.47 2qr0 s HIS 189 Ca 0.35 -0.42 -0.04 0.00 -0.15 0.00 0.00 55.06 54.80 2qr0 s HIS 189 Cb 0.24 -0.13 -0.10 0.00 1.11 0.00 0.00 32.58 33.71 2qr0 s HIS 189 CO 0.14 -0.33 -0.20 0.36 -0.85 0.00 0.00 174.74 173.86 2qr0 n LYS 190 N 1.01 0.41 -3.51 1.40 2.85 -1.26 -4.88 118.16 114.18 2qr0 n LYS 190 Ca -0.20 0.14 -0.38 0.00 -1.05 0.00 0.00 58.31 56.81 2qr0 n LYS 190 Cb 0.57 -1.25 -0.10 0.00 -0.65 0.00 0.00 35.03 33.61 2qr0 n LYS 190 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2qr0 s VAL 191 N -2.34 5.26 -0.08 0.58 1.01 -1.26 -3.31 120.40 120.26 2qr0 s VAL 191 Ca -0.24 0.34 0.03 0.00 0.00 0.00 0.00 61.98 62.10 2qr0 s VAL 191 Cb 0.08 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 2qr0 s VAL 191 CO 0.36 0.22 -0.18 -0.31 0.00 0.00 0.00 175.10 175.19 2qr0 s TYR 192 N 1.83 2.64 -0.18 5.22 1.51 -0.87 -0.85 117.35 126.64 2qr0 s TYR 192 Ca 0.10 -0.52 -0.17 0.00 -1.01 0.00 0.00 57.07 55.48 2qr0 s TYR 192 Cb -0.16 -1.68 0.05 0.00 -0.11 0.00 0.00 41.96 40.06 2qr0 s TYR 192 CO 0.10 -0.08 0.49 0.00 -1.11 0.00 0.00 175.55 174.94 2qr0 s ALA 193 N -0.19 -1.21 -0.09 3.71 0.00 0.05 -1.26 121.76 122.77 2qr0 s ALA 193 Ca -0.01 1.39 0.02 0.00 0.00 0.00 0.00 51.96 53.36 2qr0 s ALA 193 Cb -0.13 -0.81 -0.02 0.00 0.00 0.00 0.00 23.12 22.16 2qr0 s ALA 193 CO 0.03 -0.23 -0.14 0.00 0.00 0.00 0.00 175.76 175.42 2qr0 s GLU 195 N -0.22 2.59 -0.18 0.00 2.12 0.15 -2.35 118.70 120.82 2qr0 s GLU 195 Ca 0.01 -1.18 -0.15 0.00 0.36 0.00 0.00 54.97 54.00 2qr0 s GLU 195 Cb -0.13 -3.32 -0.04 0.00 0.26 0.00 0.00 34.13 30.89 2qr0 s GLU 195 CO 0.03 -0.62 0.37 0.08 -0.54 0.00 0.00 175.26 174.58 2qr0 s VAL 196 N 1.35 5.24 -0.21 3.70 1.01 -0.07 -1.99 120.40 129.43 2qr0 s VAL 196 Ca -0.03 0.67 0.02 0.00 0.00 0.00 0.00 61.98 62.64 2qr0 s VAL 196 Cb -0.19 -3.70 0.04 0.00 0.00 0.00 0.00 36.38 32.52 2qr0 s VAL 196 CO 0.01 0.31 -0.16 -0.89 0.00 0.00 0.00 175.10 174.37 2qr0 s THR 197 N 0.94 2.07 0.02 3.92 2.01 -0.33 -2.46 115.64 121.81 2qr0 s THR 197 Ca 0.19 -1.20 -0.01 0.00 0.31 0.00 0.00 61.69 60.97 2qr0 s THR 197 Cb -0.14 -2.00 -0.02 0.00 0.01 0.00 0.00 72.50 70.35 2qr0 s THR 197 CO 0.07 0.30 -0.00 -2.28 -0.69 0.00 0.00 174.62 172.02 2qr0 s HIS 198 N 1.23 0.24 0.55 4.92 2.46 -1.26 -2.09 115.29 121.33 2qr0 s HIS 198 Ca -0.01 -0.50 0.23 0.00 0.47 0.00 0.00 55.06 55.25 2qr0 s HIS 198 Cb -0.16 -0.18 1.46 0.00 -0.13 0.00 0.00 32.58 33.57 2qr0 s HIS 198 CO -0.10 -0.22 2.12 0.37 -2.47 0.00 0.00 174.74 174.44 2qr0 h GLN 199 N 4.48 0.00 0.00 2.88 4.15 -1.93 -3.31 115.11 121.37 2qr0 h GLN 199 Ca -0.32 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.10 2qr0 h GLN 199 Cb 1.20 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.89 2qr0 h GLN 199 CO 0.43 0.00 0.00 0.41 -1.93 0.00 0.00 178.83 177.74 2qr0 n GLY 200 N -1.50 -1.56 3.76 2.39 0.00 -1.26 -4.81 105.19 102.20 2qr0 n GLY 200 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 2qr0 n GLY 200 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2qr0 s LEU 201 N -2.99 3.70 -0.03 0.99 -0.00 -1.25 -4.88 118.68 114.22 2qr0 s LEU 201 Ca 0.00 2.28 -0.17 0.00 -0.00 0.00 0.00 54.13 56.24 2qr0 s LEU 201 Cb 0.00 -4.59 -0.32 0.00 -0.00 0.00 0.00 46.19 41.28 2qr0 s LEU 201 CO 0.00 -1.42 0.86 0.77 -0.00 0.00 0.00 176.35 176.55 2qr0 h SER 202 N 1.01 0.62 -3.65 1.48 4.64 -1.87 -3.43 113.55 112.34 2qr0 h SER 202 Ca -0.50 -0.93 -0.69 0.00 -0.47 0.00 0.00 61.79 59.20 2qr0 h SER 202 Cb 1.28 -0.20 -0.28 0.00 -0.31 0.00 0.00 62.40 62.89 2qr0 h SER 202 CO 0.56 1.60 -0.60 -0.55 -0.87 0.00 0.00 176.83 176.96 2qr0 s SER 203 N -7.26 5.31 -0.72 4.97 0.15 -1.26 -5.03 113.70 109.87 2qr0 s SER 203 Ca -0.13 -1.05 -0.38 0.00 0.70 0.00 0.00 55.95 55.10 2qr0 s SER 203 Cb 0.03 -1.88 -0.20 0.00 -1.71 0.00 0.00 66.02 62.26 2qr0 s SER 203 CO 0.87 -0.31 2.40 -2.65 1.20 0.00 0.00 173.24 174.75 2qr0 n PRO 204 N 4.84 0.06 -2.67 5.44 -0.02 -1.26 -4.84 135.00 136.55 2qr0 n PRO 204 Ca -0.13 0.01 -0.39 0.00 -2.02 0.00 0.00 63.50 60.97 2qr0 n PRO 204 Cb 0.45 -1.57 -0.05 0.00 -0.02 0.00 0.00 33.50 32.31 2qr0 n PRO 204 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2qr0 s VAL 205 N 7.51 3.92 -0.03 -1.45 0.11 -1.03 -4.82 120.40 124.61 2qr0 s VAL 205 Ca 1.26 1.79 0.06 0.00 -2.93 0.00 0.00 61.98 62.16 2qr0 s VAL 205 Cb -1.35 -4.08 -0.01 0.00 -1.53 0.00 0.00 36.38 29.41 2qr0 s VAL 205 CO 0.57 0.32 -0.20 -0.89 -3.33 0.00 0.00 175.10 171.57 2qr0 s THR 206 N -1.34 1.62 -0.02 5.04 2.01 -1.26 -0.89 115.64 120.80 2qr0 s THR 206 Ca 0.46 -0.86 0.04 0.00 0.31 0.00 0.00 61.69 61.65 2qr0 s THR 206 Cb -0.25 -1.36 -0.01 0.00 0.01 0.00 0.00 72.50 70.89 2qr0 s THR 206 CO 0.32 0.46 -0.14 -0.75 -0.69 0.00 0.00 174.62 173.81 2qr0 s LYS 207 N -0.31 1.27 0.19 4.92 2.47 -0.99 -5.03 119.74 122.25 2qr0 s LYS 207 Ca 0.04 -0.50 -0.15 0.00 -1.56 0.00 0.00 55.97 53.79 2qr0 s LYS 207 Cb -0.10 -1.19 0.02 0.00 -1.46 0.00 0.00 37.83 35.11 2qr0 s LYS 207 CO 0.01 0.27 0.46 -1.54 0.16 0.00 0.00 175.35 174.70 2qr0 s SER 208 N -0.17 -0.18 0.13 1.43 1.04 -1.26 -1.88 113.70 112.81 2qr0 s SER 208 Ca 0.02 -0.57 -0.12 0.00 0.48 0.00 0.00 55.95 55.76 2qr0 s SER 208 Cb -0.07 0.54 0.01 0.00 0.10 0.00 0.00 66.02 66.60 2qr0 s SER 208 CO 0.00 -1.01 0.32 0.72 0.98 0.00 0.00 173.24 174.25 2qr0 s PHE 209 N -3.90 0.06 -0.09 5.02 -0.12 -0.39 -5.01 117.98 113.56 2qr0 s PHE 209 Ca 0.11 -0.43 0.04 0.00 -0.05 0.00 0.00 56.93 56.60 2qr0 s PHE 209 Cb 0.00 0.10 0.00 0.00 -0.63 0.00 0.00 43.02 42.49 2qr0 s PHE 209 CO -0.02 -0.68 -0.22 -0.80 -0.05 0.00 0.00 175.22 173.45 2qr0 s ASN 210 N -2.87 2.80 0.00 1.98 0.01 -1.26 -2.06 114.94 113.54 2qr0 s ASN 210 Ca 0.07 -0.50 0.29 0.00 -0.71 0.00 0.00 52.86 52.02 2qr0 s ASN 210 Cb 0.03 -1.20 1.72 0.00 0.41 0.00 0.00 41.25 42.21 2qr0 s ASN 210 CO -0.08 0.15 2.06 -2.11 -1.51 0.00 0.00 177.10 175.60