#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 4.99 -0.30 0.53 1.09 -1.26 -5.04 121.20 121.21 2qr0 s ILE 2 Ca 0.00 1.35 -0.12 0.00 -1.10 0.00 0.00 60.65 60.77 2qr0 s ILE 2 Cb 0.00 -4.01 -0.04 0.00 -1.06 0.00 0.00 42.46 37.35 2qr0 s ILE 2 CO 0.00 0.12 0.25 -1.58 -0.10 0.00 0.00 174.94 173.62 2qr0 s GLN 3 N 1.76 3.81 -0.21 2.79 2.00 -1.26 -4.86 119.66 123.68 2qr0 s GLN 3 Ca 0.33 -0.36 -0.14 0.00 -2.00 0.00 0.00 55.36 53.18 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 0.34 -1.64 -0.50 0.00 0.00 175.29 173.32 2qr0 s MET 4 N 1.82 4.14 -0.30 1.67 -1.94 -1.26 -2.41 119.30 121.02 2qr0 s MET 4 Ca 0.08 0.08 0.02 0.00 -1.71 0.00 0.00 55.69 54.17 2qr0 s MET 4 Cb -0.16 -3.54 0.08 0.00 2.01 0.00 0.00 34.83 33.21 2qr0 s MET 4 CO 0.11 -0.02 -0.02 0.99 -0.01 0.00 0.00 175.02 176.07 2qr0 s THR 5 N 1.27 2.38 0.18 2.05 2.01 -0.54 -4.32 115.64 118.67 2qr0 s THR 5 Ca 0.16 -1.90 -0.21 0.00 0.31 0.00 0.00 61.69 60.05 2qr0 s THR 5 Cb -0.14 -2.54 -0.08 0.00 0.01 0.00 0.00 72.50 69.74 2qr0 s THR 5 CO 0.07 -0.29 0.70 -1.10 -0.69 0.00 0.00 174.62 173.31 2qr0 s GLN 6 N 1.05 4.32 -0.01 4.92 -0.21 -1.26 -1.30 119.66 127.17 2qr0 s GLN 6 Ca -0.00 0.91 0.01 0.00 0.02 0.00 0.00 55.36 56.30 2qr0 s GLN 6 Cb -0.20 -3.06 0.00 0.00 1.00 0.00 0.00 33.01 30.76 2qr0 s GLN 6 CO -0.06 0.49 -0.02 0.45 -2.12 0.00 0.00 175.29 174.04 2qr0 s SER 7 N -1.41 0.29 1.01 5.90 0.15 -0.35 -4.63 113.70 114.67 2qr0 s SER 7 Ca 0.38 -0.04 -0.05 0.00 0.70 0.00 0.00 55.95 56.94 2qr0 s SER 7 Cb -0.19 -0.07 0.07 0.00 -1.71 0.00 0.00 66.02 64.13 2qr0 s SER 7 CO 0.22 -0.00 0.40 -2.65 1.20 0.00 0.00 173.24 172.40 2qr0 n PRO 8 N 3.28 -0.59 -0.09 5.44 -0.02 -1.26 -1.55 135.00 140.21 2qr0 n PRO 8 Ca -0.16 -0.61 -0.15 0.00 -2.02 0.00 0.00 63.50 60.56 2qr0 n PRO 8 Cb 0.57 -0.43 -0.09 0.00 -0.02 0.00 0.00 33.50 33.53 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 -0.69 0.00 -1.01 2.55 0.02 -1.86 -3.43 113.55 109.13 2qr0 h SER 9 Ca -0.13 -0.43 -0.65 0.00 -0.84 0.00 0.00 61.79 59.73 2qr0 h SER 9 Cb 0.36 0.00 -0.13 0.00 0.14 0.00 0.00 62.40 62.77 2qr0 h SER 9 CO 0.09 1.18 -0.54 -0.94 -1.14 0.00 0.00 176.83 175.49 2qr0 s SER 10 N -6.41 3.89 -0.30 3.07 1.04 -1.26 -2.64 113.70 111.09 2qr0 s SER 10 Ca -0.22 -1.59 -0.16 0.00 0.48 0.00 0.00 55.95 54.46 2qr0 s SER 10 Cb 0.03 0.31 0.20 0.00 0.10 0.00 0.00 66.02 66.66 2qr0 s SER 10 CO 0.48 -0.77 1.24 -0.22 0.98 0.00 0.00 173.24 174.95 2qr0 s LEU 11 N -3.80 -0.10 -0.03 2.42 2.96 -0.85 -4.90 118.68 114.38 2qr0 s LEU 11 Ca 0.15 0.17 0.06 0.00 -0.22 0.00 0.00 54.13 54.29 2qr0 s LEU 11 Cb 0.04 1.15 -0.01 0.00 0.50 0.00 0.00 46.19 47.87 2qr0 s LEU 11 CO 0.08 -0.03 -0.21 -0.94 -1.32 0.00 0.00 176.35 173.93 2qr0 s SER 12 N 1.04 2.54 0.10 3.68 1.04 -1.26 -0.01 113.70 120.83 2qr0 s SER 12 Ca -0.08 -0.40 -0.03 0.00 0.48 0.00 0.00 55.95 55.92 2qr0 s SER 12 Cb -0.02 -0.43 -0.03 0.00 0.10 0.00 0.00 66.02 65.63 2qr0 s SER 12 CO -0.10 0.24 0.08 0.00 0.98 0.00 0.00 173.24 174.44 2qr0 s ALA 13 N -0.34 0.47 0.74 5.32 0.00 -1.10 -4.92 121.76 121.92 2qr0 s ALA 13 Ca 0.04 -1.18 -0.09 0.00 0.00 0.00 0.00 51.96 50.73 2qr0 s ALA 13 Cb -0.10 0.62 0.06 0.00 0.00 0.00 0.00 23.12 23.71 2qr0 s ALA 13 CO 0.00 -0.48 1.08 -1.12 0.00 0.00 0.00 175.76 175.25 2qr0 s SER 14 N -2.97 4.75 -0.03 0.00 0.01 -1.26 -0.27 113.70 113.93 2qr0 s SER 14 Ca 0.15 0.64 -0.30 0.00 1.31 0.00 0.00 55.95 57.75 2qr0 s SER 14 Cb 0.07 -1.25 -0.05 0.00 0.21 0.00 0.00 66.02 64.99 2qr0 s SER 14 CO -0.04 -1.69 1.53 -0.69 0.41 0.00 0.00 173.24 172.76 2qr0 s VAL 15 N -3.38 3.62 0.00 3.43 1.01 -1.25 -2.59 120.40 121.24 2qr0 s VAL 15 Ca 0.60 0.88 0.00 0.00 0.00 0.00 0.00 61.98 63.47 2qr0 s VAL 15 Cb -0.11 -3.57 0.00 0.00 0.00 0.00 0.00 36.38 32.70 2qr0 s VAL 15 CO 0.47 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.13 2qr0 n GLY 16 N 3.91 0.90 3.76 4.51 0.00 0.79 -4.97 105.19 114.09 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 -1.91 4.07 -0.17 1.61 1.11 -1.07 -4.36 116.67 115.95 2qr0 s ASP 17 Ca 0.00 1.49 -0.15 0.00 0.18 0.00 0.00 52.55 54.07 2qr0 s ASP 17 Cb 0.00 -2.20 -0.04 0.00 1.07 0.00 0.00 42.92 41.75 2qr0 s ASP 17 CO 0.00 -2.26 0.36 -0.60 1.18 0.00 0.00 175.17 173.85 2qr0 s ARG 18 N -5.01 4.23 -0.07 8.23 3.52 -1.26 -1.65 118.95 126.94 2qr0 s ARG 18 Ca 0.62 0.18 0.04 0.00 -0.13 0.00 0.00 55.73 56.44 2qr0 s ARG 18 Cb -0.16 -3.48 -0.02 0.00 -1.56 0.00 0.00 34.95 29.73 2qr0 s ARG 18 CO 0.56 0.10 -0.19 0.08 -0.81 0.00 0.00 175.30 175.04 2qr0 s VAL 19 N 0.87 2.64 -0.16 7.11 1.01 -0.09 -5.00 120.40 126.77 2qr0 s VAL 19 Ca 0.19 -0.86 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 2qr0 s VAL 19 Cb -0.14 -2.02 0.04 0.00 0.00 0.00 0.00 36.38 34.27 2qr0 s VAL 19 CO 0.06 0.57 -0.03 -0.89 0.00 0.00 0.00 175.10 174.81 2qr0 s THR 20 N -0.32 0.96 -0.18 3.92 2.01 -1.26 -0.94 115.64 119.83 2qr0 s THR 20 Ca 0.02 -0.56 -0.03 0.00 0.31 0.00 0.00 61.69 61.43 2qr0 s THR 20 Cb -0.13 -1.19 -0.02 0.00 0.01 0.00 0.00 72.50 71.18 2qr0 s THR 20 CO 0.02 0.09 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.36 2qr0 s ILE 21 N 1.69 3.53 0.09 1.82 1.01 -0.01 -4.77 121.20 124.56 2qr0 s ILE 21 Ca 0.01 -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 -0.07 0.46 0.04 0.42 0.00 0.00 0.00 174.94 175.79 2qr0 s THR 22 N 0.86 4.25 -0.16 2.92 -4.23 -0.59 -0.66 115.64 118.02 2qr0 s THR 22 Ca -0.01 -0.90 -0.04 0.00 -1.18 0.00 0.00 61.69 59.56 2qr0 s THR 22 Cb -0.15 -3.04 0.07 0.00 1.34 0.00 0.00 72.50 70.73 2qr0 s THR 22 CO 0.01 0.12 0.19 0.00 -0.54 0.00 0.00 174.62 174.40 2qr0 s ARG 24 N 2.29 3.83 0.17 0.00 3.52 -0.42 -1.51 118.95 126.83 2qr0 s ARG 24 Ca 0.05 -0.39 -0.15 0.00 -0.13 0.00 0.00 55.73 55.11 2qr0 s ARG 24 Cb -0.15 -3.46 -0.07 0.00 -1.56 0.00 0.00 34.95 29.71 2qr0 s ARG 24 CO -0.10 -0.13 0.57 0.00 -0.81 0.00 0.00 175.30 174.84 2qr0 s ALA 25 N 1.52 3.55 0.04 6.12 0.00 -0.77 -1.47 121.76 130.75 2qr0 s ALA 25 Ca 0.06 -0.10 -0.21 0.00 0.00 0.00 0.00 51.96 51.71 2qr0 s ALA 25 Cb -0.15 -2.56 -0.14 0.00 0.00 0.00 0.00 23.12 20.27 2qr0 s ALA 25 CO 0.06 0.44 1.38 0.66 0.00 0.00 0.00 175.76 178.30 2qr0 h SER 26 N 3.44 0.31 -4.62 0.00 4.64 -1.82 -3.46 113.55 112.04 2qr0 h SER 26 Ca -0.48 -0.43 -0.22 0.00 -0.47 0.00 0.00 61.79 60.19 2qr0 h SER 26 Cb 1.19 -0.09 -0.15 0.00 -0.31 0.00 0.00 62.40 63.05 2qr0 h SER 26 CO 0.66 0.67 -0.70 0.00 -0.87 0.00 0.00 176.83 176.59 2qr0 s GLN 27 N -4.50 0.83 0.00 4.77 -2.07 -1.26 -5.05 119.66 112.37 2qr0 s GLN 27 Ca -0.14 -1.33 -0.37 0.00 -1.82 0.00 0.00 55.36 51.70 2qr0 s GLN 27 Cb 0.05 -0.20 -0.16 0.00 -1.09 0.00 0.00 33.01 31.61 2qr0 s GLN 27 CO 0.73 -0.02 1.44 -1.13 -1.32 0.00 0.00 175.29 175.00 2qr0 n SER 28 N -0.02 1.87 -0.17 12.60 3.41 -1.26 -4.86 113.62 125.19 2qr0 n SER 28 Ca -0.12 1.11 0.08 0.00 -0.26 0.00 0.00 58.87 59.67 2qr0 n SER 28 Cb 0.61 -1.19 -0.05 0.00 -0.26 0.00 0.00 64.21 63.32 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 3.05 0.00 -4.52 -3.33 0.31 -1.26 -5.10 118.33 107.47 2qr0 n VAL 29 Ca 0.20 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 2qr0 n VAL 29 Cb 0.18 1.09 0.00 0.00 -0.91 0.00 0.00 33.84 34.20 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 -1.56 -2.96 4.52 3.41 -1.26 -3.88 113.62 111.09 2qr0 n SER 30 Ca 0.05 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.31 2qr0 n SER 30 Cb 0.28 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.23 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 -1.55 7.19 -3.08 4.04 3.41 -1.26 -4.76 113.62 117.61 2qr0 n SER 31 Ca 0.00 -3.44 -0.27 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 0.50 4.55 -2.72 7.33 0.00 -1.25 -3.83 120.51 125.10 2qr0 n ALA 32 Ca 0.53 -4.73 -0.18 0.00 0.00 0.00 0.00 53.44 49.06 2qr0 n ALA 32 Cb 0.36 -0.80 -0.13 0.00 0.00 0.00 0.00 19.45 18.88 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 -3.94 0.82 0.07 0.00 1.01 -1.26 -1.37 120.40 115.73 2qr0 s VAL 33 Ca 0.46 -0.82 0.04 0.00 0.00 0.00 0.00 61.98 61.66 2qr0 s VAL 33 Cb 0.24 -0.76 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 2qr0 s VAL 33 CO -0.10 -0.05 -0.12 0.00 0.00 0.00 0.00 175.10 174.83 2qr0 s ALA 34 N -0.79 1.04 -0.06 5.51 0.00 0.11 0.15 121.76 127.73 2qr0 s ALA 34 Ca -0.01 -1.00 0.05 0.00 0.00 0.00 0.00 51.96 51.00 2qr0 s ALA 34 Cb -0.07 -0.04 -0.02 0.00 0.00 0.00 0.00 23.12 22.99 2qr0 s ALA 34 CO 0.01 0.08 -0.20 -1.58 0.00 0.00 0.00 175.76 174.07 2qr0 s TRP 35 N -1.56 2.56 0.28 0.00 0.52 -0.49 -0.24 118.94 120.02 2qr0 s TRP 35 Ca -0.02 -0.45 0.08 0.00 0.02 0.00 0.00 56.10 55.74 2qr0 s TRP 35 Cb -0.08 -1.62 -0.06 0.00 -1.15 0.00 0.00 33.47 30.56 2qr0 s TRP 35 CO 0.01 -0.03 -0.10 0.71 0.02 0.00 0.00 176.95 177.56 2qr0 s TYR 36 N -0.40 2.04 -0.18 -1.98 2.02 0.88 -0.89 117.35 118.84 2qr0 s TYR 36 Ca 0.04 -0.58 -0.03 0.00 -0.37 0.00 0.00 57.07 56.13 2qr0 s TYR 36 Cb -0.12 -1.09 0.06 0.00 -0.40 0.00 0.00 41.96 40.41 2qr0 s TYR 36 CO 0.02 0.42 0.04 -1.14 -1.57 0.00 0.00 175.55 173.32 2qr0 s GLN 37 N -3.66 0.54 -0.34 -0.62 0.74 -0.01 -2.08 119.66 114.24 2qr0 s GLN 37 Ca 0.29 -0.34 -0.08 0.00 0.05 0.00 0.00 55.36 55.28 2qr0 s GLN 37 Cb 0.01 -2.02 0.03 0.00 1.10 0.00 0.00 33.01 32.13 2qr0 s GLN 37 CO 0.12 -0.63 0.14 -1.14 -0.55 0.00 0.00 175.29 173.23 2qr0 s GLN 38 N 1.91 2.82 0.92 1.67 0.74 0.11 -1.70 119.66 126.13 2qr0 s GLN 38 Ca -0.00 -1.06 -0.12 0.00 0.05 0.00 0.00 55.36 54.23 2qr0 s GLN 38 Cb -0.17 -3.54 0.14 0.00 1.10 0.00 0.00 33.01 30.54 2qr0 s GLN 38 CO -0.08 -0.62 1.09 0.15 -0.55 0.00 0.00 175.29 175.28 2qr0 s LYS 39 N 1.48 1.07 0.10 1.67 3.01 -1.26 -1.34 119.74 124.47 2qr0 s LYS 39 Ca 0.01 0.77 -0.31 0.00 -1.01 0.00 0.00 55.97 55.43 2qr0 s LYS 39 Cb -0.19 -1.79 -0.08 0.00 -1.01 0.00 0.00 37.83 34.76 2qr0 s LYS 39 CO 0.04 -2.35 1.39 -2.14 0.51 0.00 0.00 175.35 172.80 2qr0 s PRO 40 N -4.93 4.32 -0.53 -1.68 0.02 -1.26 -3.19 135.00 127.75 2qr0 s PRO 40 Ca 0.64 2.06 0.00 0.00 0.02 0.00 0.00 61.00 63.72 2qr0 s PRO 40 Cb -0.18 -3.29 0.00 0.00 0.02 0.00 0.00 34.50 31.05 2qr0 s PRO 40 CO 0.57 -0.45 0.00 0.41 -0.33 0.00 0.00 177.00 177.20 2qr0 n GLY 41 N 3.51 0.76 3.30 0.52 0.00 -1.26 -5.01 105.19 107.01 2qr0 n GLY 41 Ca 0.12 -0.59 -0.16 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.11 1.38 0.49 1.61 1.02 -1.19 -5.16 119.74 115.78 2qr0 s LYS 42 Ca 0.00 -1.74 -0.10 0.00 0.02 0.00 0.00 55.97 54.15 2qr0 s LYS 42 Cb 0.00 -0.23 -0.05 0.00 -0.52 0.00 0.00 37.83 37.03 2qr0 s LYS 42 CO 0.00 -0.29 0.87 0.00 -0.92 0.00 0.00 175.35 175.01 2qr0 s ALA 43 N -3.77 3.25 0.51 5.17 0.00 -1.26 -4.60 121.76 121.06 2qr0 s ALA 43 Ca 0.37 -0.19 -0.23 0.00 0.00 0.00 0.00 51.96 51.92 2qr0 s ALA 43 Cb 0.08 -2.84 -0.07 0.00 0.00 0.00 0.00 23.12 20.30 2qr0 s ALA 43 CO 0.13 -0.30 1.29 -2.30 0.00 0.00 0.00 175.76 174.58 2qr0 n PRO 44 N -1.94 1.71 -4.97 0.00 -0.02 -1.26 -4.64 135.00 123.88 2qr0 n PRO 44 Ca 0.03 0.62 -0.32 0.00 -2.02 0.00 0.00 63.50 61.81 2qr0 n PRO 44 Cb 0.54 -2.48 -0.14 0.00 -0.02 0.00 0.00 33.50 31.40 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 -2.64 2.71 0.05 -0.52 2.20 -0.69 -4.92 119.74 115.93 2qr0 s LYS 45 Ca 0.68 -0.75 -0.30 0.00 -0.36 0.00 0.00 55.97 55.25 2qr0 s LYS 45 Cb -0.45 -2.38 -0.04 0.00 -1.51 0.00 0.00 37.83 33.45 2qr0 s LYS 45 CO 0.52 0.47 0.95 -1.17 -0.36 0.00 0.00 175.35 175.76 2qr0 s LEU 46 N -0.33 4.43 -0.13 5.43 2.96 -1.26 -0.83 118.68 128.94 2qr0 s LEU 46 Ca 0.03 1.69 -0.09 0.00 -0.22 0.00 0.00 54.13 55.54 2qr0 s LEU 46 Cb -0.13 -3.55 -0.06 0.00 0.50 0.00 0.00 46.19 42.96 2qr0 s LEU 46 CO 0.02 -0.16 -0.21 0.18 -1.32 0.00 0.00 176.35 174.87 2qr0 n LEU 47 N 3.37 1.29 -4.18 -0.68 4.77 -0.06 -4.82 117.00 116.68 2qr0 n LEU 47 Ca 0.04 0.22 -0.20 0.00 -0.03 0.00 0.00 56.01 56.03 2qr0 n LEU 47 Cb 0.50 -0.51 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 2qr0 n LEU 47 CO 0.51 0.09 -0.47 -0.63 -1.33 0.00 0.00 177.39 175.56 2qr0 s ILE 48 N -2.37 1.22 0.32 -0.08 1.09 -1.11 -1.25 121.20 119.02 2qr0 s ILE 48 Ca -0.21 -1.22 0.04 0.00 -1.10 0.00 0.00 60.65 58.16 2qr0 s ILE 48 Cb 0.07 -1.13 -0.03 0.00 -1.06 0.00 0.00 42.46 40.30 2qr0 s ILE 48 CO 0.28 -0.10 0.17 -0.72 -0.10 0.00 0.00 174.94 174.47 2qr0 s TYR 49 N -1.08 1.65 -1.60 3.97 1.13 -0.76 -1.39 117.35 119.26 2qr0 s TYR 49 Ca 0.01 -1.40 -0.18 0.00 -1.41 0.00 0.00 57.07 54.09 2qr0 s TYR 49 Cb -0.09 -0.88 0.18 0.00 -1.10 0.00 0.00 41.96 40.06 2qr0 s TYR 49 CO 0.02 -0.54 0.45 0.43 -2.51 0.00 0.00 175.55 173.40 2qr0 n SER 50 N -1.08 -1.24 0.00 -0.18 7.64 -0.99 -2.25 113.62 115.53 2qr0 n SER 50 Ca 0.01 -1.09 0.00 0.00 1.01 0.00 0.00 58.87 58.80 2qr0 n SER 50 Cb 0.64 -1.39 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 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 -3.68 0.00 0.00 -0.43 0.00 0.12 -4.16 120.51 112.36 2qr0 n ALA 51 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2qr0 n ALA 51 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 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 0.85 1.66 -4.77 0.00 3.41 -1.03 -2.62 113.62 111.13 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 0.14 -0.04 0.00 -0.26 0.00 0.00 64.21 64.05 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 -2.02 7.05 -0.11 4.04 1.04 -0.95 -4.09 113.70 118.66 2qr0 s SER 53 Ca 0.00 2.15 -0.17 0.00 0.48 0.00 0.00 55.95 58.41 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 -0.29 0.43 -0.22 0.98 0.00 0.00 173.24 174.14 2qr0 s LEU 54 N -1.99 4.30 0.54 2.42 2.96 -1.26 -1.83 118.68 123.82 2qr0 s LEU 54 Ca 0.50 0.78 -0.20 0.00 -0.22 0.00 0.00 54.13 55.00 2qr0 s LEU 54 Cb -0.27 -2.61 -0.06 0.00 0.50 0.00 0.00 46.19 43.75 2qr0 s LEU 54 CO 0.34 0.08 1.14 -0.47 -1.32 0.00 0.00 176.35 176.12 2qr0 s TYR 55 N 0.30 2.65 0.06 5.38 5.04 -0.38 -4.91 117.35 125.49 2qr0 s TYR 55 Ca 0.24 1.54 -0.30 0.00 -2.44 0.00 0.00 57.07 56.10 2qr0 s TYR 55 Cb -0.15 -3.32 -0.09 0.00 0.35 0.00 0.00 41.96 38.75 2qr0 s TYR 55 CO 0.10 -1.64 1.87 0.45 -1.34 0.00 0.00 175.55 174.98 2qr0 s SER 56 N -1.72 6.47 0.00 4.32 0.15 -1.26 -2.34 113.70 119.32 2qr0 s SER 56 Ca 0.73 2.65 0.00 0.00 0.70 0.00 0.00 55.95 60.03 2qr0 s SER 56 Cb -0.25 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.52 2qr0 s SER 56 CO 0.28 -1.02 0.00 0.61 1.20 0.00 0.00 173.24 174.32 2qr0 n GLY 57 N 4.37 0.58 3.73 9.45 0.00 -1.26 -5.06 105.19 117.00 2qr0 n GLY 57 Ca 0.19 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 -2.32 4.99 0.74 1.61 1.01 -0.99 -5.04 120.40 120.40 2qr0 s VAL 58 Ca 0.00 1.37 -0.15 0.00 0.00 0.00 0.00 61.98 63.20 2qr0 s VAL 58 Cb 0.00 -4.00 0.04 0.00 0.00 0.00 0.00 36.38 32.42 2qr0 s VAL 58 CO 0.00 0.31 1.21 -2.16 0.00 0.00 0.00 175.10 174.47 2qr0 s PRO 59 N 0.43 2.08 0.50 2.72 0.04 -1.26 -4.91 135.00 134.61 2qr0 s PRO 59 Ca 0.35 1.78 0.28 0.00 0.04 0.00 0.00 61.00 63.45 2qr0 s PRO 59 Cb -0.18 -1.82 1.26 0.00 0.04 0.00 0.00 34.50 33.80 2qr0 s PRO 59 CO 0.18 -1.89 1.96 0.66 0.04 0.00 0.00 177.00 177.95 2qr0 h SER 60 N -0.35 0.00 -0.53 6.66 4.64 -1.99 -3.01 113.55 118.98 2qr0 h SER 60 Ca -0.48 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 60.88 2qr0 h SER 60 Cb 1.30 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.36 2qr0 h SER 60 CO 0.49 0.13 0.35 0.08 -0.87 0.00 0.00 176.83 177.02 2qr0 h ARG 61 N 0.00 0.56 -6.49 4.77 0.11 -1.93 -3.40 114.38 107.99 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 0.54 -0.13 0.02 0.00 1.11 0.00 0.00 29.97 31.51 2qr0 h ARG 61 CO 0.02 0.37 0.76 -0.06 0.10 0.00 0.00 179.97 181.15 2qr0 s PHE 62 N -5.52 3.11 -0.21 4.08 0.08 -1.14 -2.08 117.98 116.32 2qr0 s PHE 62 Ca -0.08 0.91 -0.08 0.00 0.12 0.00 0.00 56.93 57.79 2qr0 s PHE 62 Cb 0.18 -3.67 0.09 0.00 -0.57 0.00 0.00 43.02 39.05 2qr0 s PHE 62 CO 0.75 -2.40 0.45 -1.54 -0.10 0.00 0.00 175.22 172.38 2qr0 s SER 63 N 1.37 -0.43 0.23 1.36 1.04 -0.83 -4.99 113.70 111.45 2qr0 s SER 63 Ca 0.64 1.05 -0.06 0.00 0.48 0.00 0.00 55.95 58.06 2qr0 s SER 63 Cb -0.35 1.32 -0.06 0.00 0.10 0.00 0.00 66.02 67.03 2qr0 s SER 63 CO 0.29 -0.22 0.50 -0.83 0.98 0.00 0.00 173.24 173.96 2qr0 s GLY 64 N 2.34 2.10 0.20 7.32 0.00 -1.26 -1.17 107.32 116.86 2qr0 s GLY 64 Ca -0.04 -0.47 -0.14 0.00 0.00 0.00 0.00 44.72 44.07 2qr0 s GLY 64 CO -0.14 -0.36 0.45 -1.35 0.00 0.00 0.00 173.10 171.71 2qr0 s SER 65 N -2.70 -0.14 0.03 1.64 1.04 -0.72 -4.41 113.70 108.45 2qr0 s SER 65 Ca 0.44 -0.70 0.01 0.00 0.48 0.00 0.00 55.95 56.19 2qr0 s SER 65 Cb -0.11 0.55 -0.02 0.00 0.10 0.00 0.00 66.02 66.53 2qr0 s SER 65 CO 0.25 -1.04 -0.05 -0.60 0.98 0.00 0.00 173.24 172.78 2qr0 s ARG 66 N -3.93 0.44 -0.39 4.02 3.52 -1.26 -1.36 118.95 119.98 2qr0 s ARG 66 Ca 0.14 -0.74 0.11 0.00 -0.13 0.00 0.00 55.73 55.11 2qr0 s ARG 66 Cb 0.00 -0.06 0.34 0.00 -1.56 0.00 0.00 34.95 33.66 2qr0 s ARG 66 CO 0.01 -0.01 0.79 0.45 -0.81 0.00 0.00 175.30 175.73 2qr0 n SER 67 N 1.38 0.16 -1.99 -2.12 2.88 -0.00 -5.00 113.62 108.92 2qr0 n SER 67 Ca -0.22 -3.13 -0.16 0.00 -1.33 0.00 0.00 58.87 54.03 2qr0 n SER 67 Cb 0.55 -0.12 -0.04 0.00 -0.75 0.00 0.00 64.21 63.86 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 0.37 0.42 0.00 0.46 0.00 -1.26 -3.21 105.19 101.97 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 -2.95 0.00 -3.13 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 0.60 0.00 -0.07 0.00 -2.10 0.00 0.00 70.33 68.76 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 6.33 0.06 3.42 1.11 -1.20 -1.85 116.67 124.54 2qr0 s ASP 70 Ca 0.00 -0.29 0.01 0.00 0.18 0.00 0.00 52.55 52.45 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 -0.73 0.16 -0.36 1.18 0.00 0.00 175.17 175.41 2qr0 s PHE 71 N 2.75 3.40 -0.20 4.23 0.40 -0.57 -0.82 117.98 127.17 2qr0 s PHE 71 Ca 0.22 0.20 -0.04 0.00 -0.60 0.00 0.00 56.93 56.71 2qr0 s PHE 71 Cb -0.14 -1.72 0.09 0.00 0.51 0.00 0.00 43.02 41.76 2qr0 s PHE 71 CO 0.18 0.57 0.22 0.99 0.70 0.00 0.00 175.22 177.88 2qr0 s THR 72 N -1.43 -0.33 0.04 0.64 2.01 -0.47 0.03 115.64 116.13 2qr0 s THR 72 Ca 0.32 -0.11 -0.27 0.00 0.31 0.00 0.00 61.69 61.94 2qr0 s THR 72 Cb -0.13 -0.68 -0.05 0.00 0.01 0.00 0.00 72.50 71.65 2qr0 s THR 72 CO 0.24 -0.20 0.84 -0.22 -0.69 0.00 0.00 174.62 174.59 2qr0 s LEU 73 N 2.33 4.44 -0.11 4.42 0.20 0.16 -1.76 118.68 128.36 2qr0 s LEU 73 Ca 0.07 1.53 -0.00 0.00 0.69 0.00 0.00 54.13 56.42 2qr0 s LEU 73 Cb -0.16 -3.35 0.02 0.00 -0.43 0.00 0.00 46.19 42.28 2qr0 s LEU 73 CO -0.12 -0.05 -0.08 -0.89 -0.29 0.00 0.00 176.35 174.92 2qr0 s THR 74 N 0.19 1.04 -0.46 3.68 2.01 -0.31 -0.83 115.64 120.95 2qr0 s THR 74 Ca 0.42 -0.30 -0.17 0.00 0.31 0.00 0.00 61.69 61.95 2qr0 s THR 74 Cb -0.21 -1.05 0.05 0.00 0.01 0.00 0.00 72.50 71.30 2qr0 s THR 74 CO 0.25 0.37 0.48 -0.63 -0.69 0.00 0.00 174.62 174.40 2qr0 s ILE 75 N 1.67 5.06 0.23 1.82 1.01 -0.12 -1.97 121.20 128.92 2qr0 s ILE 75 Ca 0.04 -0.58 0.11 0.00 0.00 0.00 0.00 60.65 60.23 2qr0 s ILE 75 Cb -0.13 -4.14 -0.03 0.00 0.01 0.00 0.00 42.46 38.18 2qr0 s ILE 75 CO -0.08 -0.57 1.58 0.77 0.00 0.00 0.00 174.94 176.64 2qr0 h SER 76 N 8.81 0.00 -1.85 3.58 4.64 -1.68 -0.21 113.55 126.84 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 0.63 -1.03 -0.24 -0.87 0.00 0.00 176.83 176.19 2qr0 n SER 77 N -3.70 -0.24 -4.50 4.97 2.88 -1.26 -4.21 113.62 107.57 2qr0 n SER 77 Ca -0.01 -2.71 -0.47 0.00 -1.33 0.00 0.00 58.87 54.36 2qr0 n SER 77 Cb 0.64 -0.37 -0.02 0.00 -0.75 0.00 0.00 64.21 63.71 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 1.63 0.29 -4.03 2.46 7.94 -0.66 -4.54 117.00 120.10 2qr0 n LEU 78 Ca 0.21 1.15 -0.10 0.00 -1.11 0.00 0.00 56.01 56.16 2qr0 n LEU 78 Cb 0.53 -1.12 -0.11 0.00 0.53 0.00 0.00 43.42 43.26 2qr0 n LEU 78 CO 0.15 -2.17 -0.37 -1.10 -1.11 0.00 0.00 177.39 172.79 2qr0 s GLN 79 N -1.22 0.45 0.54 1.96 -0.21 -1.26 -0.15 119.66 119.78 2qr0 s GLN 79 Ca 0.62 -0.78 0.28 0.00 0.02 0.00 0.00 55.36 55.50 2qr0 s GLN 79 Cb -0.83 -0.02 1.45 0.00 1.00 0.00 0.00 33.01 34.61 2qr0 s GLN 79 CO 0.58 -0.02 1.95 -1.00 -2.12 0.00 0.00 175.29 174.67 2qr0 h PRO 80 N 4.29 0.00 -0.12 2.91 0.13 -1.88 0.86 132.00 138.19 2qr0 h PRO 80 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2qr0 h PRO 80 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2qr0 h PRO 80 CO 0.46 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.38 2qr0 n GLU 81 N -4.22 1.34 0.00 0.86 0.00 -1.05 -3.10 120.64 114.47 2qr0 n GLU 81 Ca 0.12 -0.52 0.13 0.00 0.00 0.00 0.00 57.16 56.88 2qr0 n GLU 81 Cb 0.72 -1.20 0.33 0.00 0.00 0.00 0.00 31.44 31.29 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 -0.15 1.42 -4.54 -1.84 8.00 0.30 -4.88 116.55 114.86 2qr0 n ASP 82 Ca 0.09 -1.20 -0.51 0.00 0.71 0.00 0.00 54.79 53.89 2qr0 n ASP 82 Cb 0.15 0.15 -0.06 0.00 -0.02 0.00 0.00 41.12 41.34 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 -0.24 1.84 -3.86 1.24 7.35 -1.18 -4.84 117.46 117.77 2qr0 n PHE 83 Ca 0.13 0.23 -0.01 0.00 -0.76 0.00 0.00 57.45 57.04 2qr0 n PHE 83 Cb 0.39 -2.56 0.01 0.00 0.35 0.00 0.00 39.48 37.66 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 6.20 -1.98 -0.17 3.13 0.00 -1.08 -4.82 121.76 123.04 2qr0 s ALA 84 Ca 1.04 -0.01 -0.07 0.00 0.00 0.00 0.00 51.96 52.92 2qr0 s ALA 84 Cb -0.82 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.99 2qr0 s ALA 84 CO 0.51 -1.09 0.05 0.99 0.00 0.00 0.00 175.76 176.22 2qr0 s THR 85 N -2.27 4.66 -0.18 0.00 2.01 -0.45 0.22 115.64 119.62 2qr0 s THR 85 Ca 0.22 -0.08 -0.04 0.00 0.31 0.00 0.00 61.69 62.10 2qr0 s THR 85 Cb -0.01 -3.08 -0.02 0.00 0.01 0.00 0.00 72.50 69.40 2qr0 s THR 85 CO 0.02 0.48 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.07 2qr0 s TYR 86 N 0.28 2.98 -0.13 4.92 1.51 -0.73 -0.71 117.35 125.47 2qr0 s TYR 86 Ca 0.03 -0.55 -0.00 0.00 -1.01 0.00 0.00 57.07 55.53 2qr0 s TYR 86 Cb -0.13 -2.02 -0.01 0.00 -0.11 0.00 0.00 41.96 39.69 2qr0 s TYR 86 CO 0.01 -0.25 -0.13 0.71 -1.11 0.00 0.00 175.55 174.78 2qr0 s TYR 87 N 0.85 2.82 0.61 2.71 2.02 -0.88 -1.05 117.35 124.42 2qr0 s TYR 87 Ca -0.01 -0.68 -0.08 0.00 -0.37 0.00 0.00 57.07 55.94 2qr0 s TYR 87 Cb -0.15 -1.86 -0.00 0.00 -0.40 0.00 0.00 41.96 39.56 2qr0 s TYR 87 CO 0.02 -0.24 0.95 0.00 -1.57 0.00 0.00 175.55 174.71 2qr0 s GLN 89 N -5.08 0.52 -0.04 0.00 0.74 0.67 -1.64 119.66 114.83 2qr0 s GLN 89 Ca 0.54 1.18 -0.03 0.00 0.05 0.00 0.00 55.36 57.11 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 0.48 -0.19 0.12 -1.14 -0.55 0.00 0.00 175.29 174.00 2qr0 s GLN 90 N 2.23 3.26 0.00 1.67 -0.44 -0.70 0.08 119.66 125.75 2qr0 s GLN 90 Ca -0.07 -0.34 0.00 0.00 -2.50 0.00 0.00 55.36 52.45 2qr0 s GLN 90 Cb -0.09 -3.00 0.00 0.00 -1.64 0.00 0.00 33.01 28.27 2qr0 s GLN 90 CO -0.17 0.69 0.00 2.48 0.50 0.00 0.00 175.29 178.80 2qr0 n TYR 91 N 1.42 0.00 -1.48 1.67 0.18 -0.47 -2.15 117.16 116.32 2qr0 n TYR 91 Ca -0.15 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.63 2qr0 n TYR 91 Cb 0.53 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.49 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 -6.14 -4.70 9.48 3.41 -1.26 -4.84 113.62 109.57 2qr0 n SER 92 Ca 0.00 0.85 -0.41 0.00 -0.26 0.00 0.00 58.87 59.05 2qr0 n SER 92 Cb 0.00 -3.40 -0.04 0.00 -0.26 0.00 0.00 64.21 60.51 2qr0 n SER 92 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2qr0 s TYR 93 N -0.31 3.57 0.00 7.33 5.04 -1.26 -4.78 117.35 126.94 2qr0 s TYR 93 Ca 0.00 1.50 0.00 0.00 -2.44 0.00 0.00 57.07 56.13 2qr0 s TYR 93 Cb 0.00 -3.03 0.00 0.00 0.35 0.00 0.00 41.96 39.28 2qr0 s TYR 93 CO 0.00 -0.06 0.00 0.66 -1.34 0.00 0.00 175.55 174.81 2qr0 n TYR 94 N 4.28 0.00 0.29 4.97 4.02 -1.26 -5.17 117.16 124.29 2qr0 n TYR 94 Ca 0.04 0.00 0.17 0.00 -0.01 0.00 0.00 57.90 58.10 2qr0 n TYR 94 Cb 0.50 0.00 0.88 0.00 -0.02 0.00 0.00 39.34 40.71 2qr0 n TYR 94 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 2qr0 h PRO 95 N 0.00 0.00 -2.24 -0.72 0.13 -1.96 -3.44 132.00 123.76 2qr0 h PRO 95 Ca 0.00 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 65.24 2qr0 h PRO 95 Cb 0.00 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 30.97 2qr0 h PRO 95 CO 0.00 0.05 0.50 -0.59 -0.23 0.00 0.00 178.00 177.73 2qr0 s PHE 96 N -4.13 -0.35 -0.01 1.56 -0.12 -1.26 -4.05 117.98 109.62 2qr0 s PHE 96 Ca -0.03 0.23 0.03 0.00 -0.05 0.00 0.00 56.93 57.11 2qr0 s PHE 96 Cb 0.13 0.53 -0.00 0.00 -0.63 0.00 0.00 43.02 43.04 2qr0 s PHE 96 CO 0.52 -0.53 -0.10 0.95 -0.05 0.00 0.00 175.22 176.01 2qr0 s THR 97 N -3.03 0.81 0.27 -4.49 -4.23 -0.91 -5.02 115.64 99.04 2qr0 s THR 97 Ca 0.05 -0.42 0.03 0.00 -1.18 0.00 0.00 61.69 60.17 2qr0 s THR 97 Cb -0.01 -0.69 -0.03 0.00 1.34 0.00 0.00 72.50 73.11 2qr0 s THR 97 CO -0.08 0.24 0.42 -0.36 -0.54 0.00 0.00 174.62 174.29 2qr0 s PHE 98 N -0.10 3.47 1.01 3.99 0.40 -1.26 -1.73 117.98 123.75 2qr0 s PHE 98 Ca 0.02 0.12 -0.17 0.00 -0.60 0.00 0.00 56.93 56.29 2qr0 s PHE 98 Cb -0.05 -1.69 0.24 0.00 0.51 0.00 0.00 43.02 42.03 2qr0 s PHE 98 CO -0.00 0.34 1.18 0.41 0.70 0.00 0.00 175.22 177.85 2qr0 n GLY 99 N -1.47 -1.94 0.14 4.36 0.00 -0.65 -4.56 105.19 101.07 2qr0 n GLY 99 Ca -0.07 -1.63 0.13 0.00 0.00 0.00 0.00 46.02 44.44 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 4.20 -1.91 -3.46 115.11 115.55 2qr0 h GLN 100 Ca -0.40 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.31 2qr0 h GLN 100 Cb 1.14 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.92 2qr0 h GLN 100 CO 0.28 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.85 2qr0 n GLY 101 N 1.23 0.84 2.59 3.46 0.00 -1.26 -5.03 105.19 107.01 2qr0 n GLY 101 Ca 0.05 -1.75 -0.27 0.00 0.00 0.00 0.00 46.02 44.05 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 -2.94 -0.11 -0.07 2.61 2.01 -0.21 -4.79 115.64 112.14 2qr0 s THR 102 Ca 0.00 -0.54 -0.30 0.00 0.31 0.00 0.00 61.69 61.16 2qr0 s THR 102 Cb 0.00 -0.85 -0.04 0.00 0.01 0.00 0.00 72.50 71.62 2qr0 s THR 102 CO 0.00 -0.56 1.32 -0.54 -0.69 0.00 0.00 174.62 174.15 2qr0 s LYS 103 N 2.14 4.29 -0.18 4.92 1.02 -1.08 -1.77 119.74 129.08 2qr0 s LYS 103 Ca 0.07 1.80 -0.04 0.00 0.02 0.00 0.00 55.97 57.82 2qr0 s LYS 103 Cb -0.16 -3.65 -0.02 0.00 -0.52 0.00 0.00 37.83 33.48 2qr0 s LYS 103 CO -0.28 -0.59 -0.02 0.08 -0.92 0.00 0.00 175.35 173.62 2qr0 s VAL 104 N 2.75 3.88 0.38 3.17 1.01 0.13 -2.00 120.40 129.72 2qr0 s VAL 104 Ca 0.59 -0.35 0.08 0.00 0.00 0.00 0.00 61.98 62.30 2qr0 s VAL 104 Cb -0.27 -2.72 -0.07 0.00 0.00 0.00 0.00 36.38 33.32 2qr0 s VAL 104 CO 0.22 0.46 0.00 -1.61 0.00 0.00 0.00 175.10 174.18 2qr0 s GLU 105 N 0.67 1.98 -0.08 2.72 0.41 0.99 -2.63 118.70 122.75 2qr0 s GLU 105 Ca -0.01 -1.95 -0.01 0.00 -0.41 0.00 0.00 54.97 52.59 2qr0 s GLU 105 Cb -0.14 -1.76 -0.03 0.00 -1.78 0.00 0.00 34.13 30.41 2qr0 s GLU 105 CO 0.02 0.04 -0.03 0.42 -0.49 0.00 0.00 175.26 175.22 2qr0 s ILE 106 N -2.63 4.02 -0.20 -1.63 -1.09 -1.26 -2.73 121.20 115.69 2qr0 s ILE 106 Ca 0.35 -0.36 -0.09 0.00 -2.23 0.00 0.00 60.65 58.32 2qr0 s ILE 106 Cb 0.05 -2.67 -0.04 0.00 -1.58 0.00 0.00 42.46 38.22 2qr0 s ILE 106 CO 0.18 0.60 0.10 -0.54 -1.23 0.00 0.00 174.94 174.05 2qr0 s LYS 107 N -0.85 4.05 0.34 2.79 1.02 0.63 -4.83 119.74 122.89 2qr0 s LYS 107 Ca 0.13 -0.30 0.07 0.00 0.02 0.00 0.00 55.97 55.90 2qr0 s LYS 107 Cb -0.11 -3.33 -0.03 0.00 -0.52 0.00 0.00 37.83 33.84 2qr0 s LYS 107 CO 0.02 0.24 0.30 2.89 -0.92 0.00 0.00 175.35 177.88 2qr0 n ARG 108 N 3.66 0.43 -1.56 1.68 -4.01 -1.26 -3.81 116.66 111.80 2qr0 n ARG 108 Ca -0.16 -3.38 -0.33 0.00 -1.04 0.00 0.00 57.85 52.93 2qr0 n ARG 108 Cb 0.52 2.80 0.07 0.00 -3.04 0.00 0.00 32.46 32.81 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 -3.36 2.84 0.17 8.89 -4.23 -1.26 -4.93 115.64 113.76 2qr0 s THR 109 Ca 0.40 0.38 -0.31 0.00 -1.18 0.00 0.00 61.69 60.98 2qr0 s THR 109 Cb 0.02 -2.89 -0.10 0.00 1.34 0.00 0.00 72.50 70.87 2qr0 s THR 109 CO 0.29 -0.25 1.54 -0.69 -0.54 0.00 0.00 174.62 174.97 2qr0 s VAL 110 N -2.25 2.69 -0.03 2.29 1.01 -1.26 -4.80 120.40 118.05 2qr0 s VAL 110 Ca 0.69 0.50 0.02 0.00 0.00 0.00 0.00 61.98 63.20 2qr0 s VAL 110 Cb -0.24 -3.32 0.01 0.00 0.00 0.00 0.00 36.38 32.83 2qr0 s VAL 110 CO 0.44 0.04 -0.08 0.00 0.00 0.00 0.00 175.10 175.51 2qr0 s ALA 111 N 0.99 0.84 0.10 5.51 0.00 -0.66 -4.95 121.76 123.59 2qr0 s ALA 111 Ca 0.68 -0.27 -0.14 0.00 0.00 0.00 0.00 51.96 52.24 2qr0 s ALA 111 Cb -0.43 -0.36 -0.06 0.00 0.00 0.00 0.00 23.12 22.27 2qr0 s ALA 111 CO 0.33 0.10 0.49 0.00 0.00 0.00 0.00 175.76 176.68 2qr0 s ALA 112 N 0.39 3.64 0.33 0.00 0.00 -1.26 -1.18 121.76 123.68 2qr0 s ALA 112 Ca -0.06 -0.20 -0.27 0.00 0.00 0.00 0.00 51.96 51.43 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 0.48 1.10 -1.25 0.00 0.00 0.00 175.76 176.10 2qr0 s PRO 113 N -1.71 4.43 -0.12 0.00 0.04 -1.26 -4.63 135.00 131.75 2qr0 s PRO 113 Ca 0.33 1.75 -0.27 0.00 0.04 0.00 0.00 61.00 62.85 2qr0 s PRO 113 Cb -0.15 -2.95 -0.02 0.00 0.04 0.00 0.00 34.50 31.42 2qr0 s PRO 113 CO 0.18 0.04 0.90 -1.12 0.04 0.00 0.00 177.00 177.04 2qr0 s SER 114 N -1.08 7.11 -0.12 6.66 0.01 -0.91 -4.86 113.70 120.51 2qr0 s SER 114 Ca 0.50 1.36 -0.03 0.00 1.31 0.00 0.00 55.95 59.09 2qr0 s SER 114 Cb -0.29 -2.50 -0.03 0.00 0.21 0.00 0.00 66.02 63.40 2qr0 s SER 114 CO 0.38 -0.38 -0.00 -0.69 0.41 0.00 0.00 173.24 172.95 2qr0 s VAL 115 N 1.87 4.27 0.08 3.43 1.01 -1.26 -1.65 120.40 128.15 2qr0 s VAL 115 Ca 0.44 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 62.20 2qr0 s VAL 115 Cb -0.18 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.33 2qr0 s VAL 115 CO 0.16 0.55 -0.09 -0.36 0.00 0.00 0.00 175.10 175.36 2qr0 s PHE 116 N -0.34 0.94 -0.01 5.22 0.08 -0.21 -5.00 117.98 118.66 2qr0 s PHE 116 Ca 0.07 -0.66 0.02 0.00 0.12 0.00 0.00 56.93 56.48 2qr0 s PHE 116 Cb -0.12 -0.53 0.00 0.00 -0.57 0.00 0.00 43.02 41.80 2qr0 s PHE 116 CO 0.02 -0.04 -0.06 -1.50 -0.10 0.00 0.00 175.22 173.54 2qr0 s ILE 117 N -2.35 0.51 -0.12 0.64 2.07 -1.26 0.06 121.20 120.75 2qr0 s ILE 117 Ca 0.03 -0.24 0.02 0.00 -1.41 0.00 0.00 60.65 59.05 2qr0 s ILE 117 Cb -0.03 -0.46 0.01 0.00 0.13 0.00 0.00 42.46 42.11 2qr0 s ILE 117 CO -0.01 0.16 -0.20 -0.36 -1.91 0.00 0.00 174.94 172.63 2qr0 s PHE 118 N 0.08 2.39 0.69 3.50 0.08 0.98 -5.00 117.98 120.71 2qr0 s PHE 118 Ca -0.01 -1.15 -0.11 0.00 0.12 0.00 0.00 56.93 55.78 2qr0 s PHE 118 Cb -0.05 -1.65 0.01 0.00 -0.57 0.00 0.00 43.02 40.75 2qr0 s PHE 118 CO -0.00 -0.54 1.07 -1.25 -0.10 0.00 0.00 175.22 174.40 2qr0 s PRO 119 N 0.81 2.98 0.55 0.24 0.04 -1.26 -1.75 135.00 136.60 2qr0 s PRO 119 Ca -0.09 0.68 -0.20 0.00 0.04 0.00 0.00 61.00 61.43 2qr0 s PRO 119 Cb -0.16 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 32.32 2qr0 s PRO 119 CO -0.00 -1.00 1.23 -2.14 0.04 0.00 0.00 177.00 175.13 2qr0 s PRO 120 N -5.21 3.18 0.42 0.56 0.02 -1.22 -4.86 135.00 127.89 2qr0 s PRO 120 Ca 0.58 1.90 -0.24 0.00 0.02 0.00 0.00 61.00 63.26 2qr0 s PRO 120 Cb -0.12 -2.10 -0.08 0.00 0.02 0.00 0.00 34.50 32.21 2qr0 s PRO 120 CO 0.54 -1.06 1.17 0.45 -0.33 0.00 0.00 177.00 177.77 2qr0 s SER 121 N -1.40 6.40 0.45 2.53 0.15 -1.26 -4.93 113.70 115.64 2qr0 s SER 121 Ca 0.73 2.33 0.12 0.00 0.70 0.00 0.00 55.95 59.83 2qr0 s SER 121 Cb -0.32 -2.61 1.02 0.00 -1.71 0.00 0.00 66.02 62.40 2qr0 s SER 121 CO 0.36 -0.76 2.07 0.44 1.20 0.00 0.00 173.24 176.55 2qr0 h ASP 122 N 2.43 0.21 -0.09 5.45 3.45 -2.00 -1.29 116.42 124.58 2qr0 h ASP 122 Ca -0.49 -0.01 -0.08 0.00 0.43 0.00 0.00 57.03 56.88 2qr0 h ASP 122 Cb 1.24 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 39.94 2qr0 h ASP 122 CO 0.62 0.20 -0.18 -0.08 -1.57 0.00 0.00 179.24 178.22 2qr0 h GLU 123 N 0.24 0.48 -0.29 3.56 4.81 -2.01 -3.03 114.58 118.34 2qr0 h GLU 123 Ca 0.06 -0.15 -0.19 0.00 -0.13 0.00 0.00 59.36 58.95 2qr0 h GLU 123 Cb 0.06 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.40 2qr0 h GLU 123 CO -0.01 0.64 -0.55 0.37 -0.73 0.00 0.00 179.01 178.74 2qr0 h GLN 124 N 0.43 0.87 -0.07 1.92 4.15 -1.61 -3.18 115.11 117.63 2qr0 h GLN 124 Ca 0.07 -0.55 0.02 0.00 0.77 0.00 0.00 58.65 58.96 2qr0 h GLN 124 Cb 0.57 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.32 2qr0 h GLN 124 CO 0.04 1.18 0.05 -0.07 -1.93 0.00 0.00 178.83 178.10 2qr0 h LEU 125 N 0.66 0.00 -0.68 -2.39 4.07 -1.23 -1.75 115.31 113.99 2qr0 h LEU 125 Ca 0.01 0.00 0.04 0.00 0.08 0.00 0.00 57.88 58.01 2qr0 h LEU 125 Cb 1.15 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.85 2qr0 h LEU 125 CO 0.12 0.00 0.41 0.11 -1.08 0.00 0.00 178.44 178.01 2qr0 h LYS 126 N 0.00 0.78 0.00 1.13 1.79 -1.51 -2.93 116.57 115.83 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 0.13 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.60 2qr0 h LYS 126 CO -0.00 0.51 0.00 0.66 -1.08 0.00 0.00 179.45 179.54 2qr0 h SER 127 N 0.80 0.00 0.00 0.86 4.64 -1.44 -3.47 113.55 114.95 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 0.06 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2qr0 h SER 127 CO -0.13 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.44 2qr0 n GLY 128 N 0.35 0.72 3.73 -0.77 0.00 -1.11 -5.09 105.19 103.03 2qr0 n GLY 128 Ca 0.02 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 2.38 -0.15 2.61 -4.23 -1.25 -1.86 115.64 111.15 2qr0 s THR 129 Ca 0.00 -1.72 -0.04 0.00 -1.18 0.00 0.00 61.69 58.74 2qr0 s THR 129 Cb 0.00 -2.98 0.07 0.00 1.34 0.00 0.00 72.50 70.93 2qr0 s THR 129 CO 0.00 -0.03 0.26 0.00 -0.54 0.00 0.00 174.62 174.31 2qr0 s ALA 130 N -2.58 -0.51 -0.20 3.99 0.00 0.29 -3.79 121.76 118.95 2qr0 s ALA 130 Ca 0.40 0.79 -0.02 0.00 0.00 0.00 0.00 51.96 53.14 2qr0 s ALA 130 Cb 0.03 -1.09 0.01 0.00 0.00 0.00 0.00 23.12 22.06 2qr0 s ALA 130 CO 0.22 -0.77 -0.12 -1.12 0.00 0.00 0.00 175.76 173.98 2qr0 s SER 131 N 2.40 3.77 -0.13 0.00 0.01 -1.26 -0.26 113.70 118.23 2qr0 s SER 131 Ca 0.03 -0.53 -0.07 0.00 1.31 0.00 0.00 55.95 56.69 2qr0 s SER 131 Cb -0.13 -1.62 -0.04 0.00 0.21 0.00 0.00 66.02 64.44 2qr0 s SER 131 CO -0.09 -0.02 0.14 -0.69 0.41 0.00 0.00 173.24 172.99 2qr0 s VAL 132 N 1.39 5.50 -0.15 3.43 1.01 0.71 -3.45 120.40 128.84 2qr0 s VAL 132 Ca 0.05 0.21 0.01 0.00 0.00 0.00 0.00 61.98 62.25 2qr0 s VAL 132 Cb -0.14 -3.41 0.02 0.00 0.00 0.00 0.00 36.38 32.85 2qr0 s VAL 132 CO -0.08 0.60 -0.16 -0.69 0.00 0.00 0.00 175.10 174.78 2qr0 s VAL 133 N -0.91 1.71 -0.22 2.92 1.01 -0.72 0.20 120.40 124.38 2qr0 s VAL 133 Ca 0.14 -0.73 -0.09 0.00 0.00 0.00 0.00 61.98 61.31 2qr0 s VAL 133 Cb -0.12 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 2qr0 s VAL 133 CO 0.04 0.48 0.11 0.00 0.00 0.00 0.00 175.10 175.73 2qr0 s LEU 135 N 0.95 2.74 -0.19 0.00 1.98 0.11 -0.76 118.68 123.51 2qr0 s LEU 135 Ca 0.06 -0.42 -0.06 0.00 -2.89 0.00 0.00 54.13 50.81 2qr0 s LEU 135 Cb -0.14 -1.67 -0.03 0.00 0.66 0.00 0.00 46.19 45.01 2qr0 s LEU 135 CO 0.03 0.02 0.04 -0.76 -1.89 0.00 0.00 176.35 173.79 2qr0 s LEU 136 N 1.24 3.58 -0.06 -0.68 1.02 0.15 -1.05 118.68 122.88 2qr0 s LEU 136 Ca 0.03 -0.04 0.04 0.00 0.02 0.00 0.00 54.13 54.18 2qr0 s LEU 136 Cb -0.14 -1.91 -0.00 0.00 0.02 0.00 0.00 46.19 44.16 2qr0 s LEU 136 CO -0.03 0.13 -0.19 0.21 0.02 0.00 0.00 176.35 176.49 2qr0 s ASN 137 N 0.64 2.43 -0.75 2.29 2.47 -0.66 0.22 114.94 121.57 2qr0 s ASN 137 Ca 0.02 -0.41 -0.02 0.00 0.42 0.00 0.00 52.86 52.86 2qr0 s ASN 137 Cb -0.13 -0.86 0.00 0.00 -1.45 0.00 0.00 41.25 38.81 2qr0 s ASN 137 CO 0.02 0.14 0.65 0.59 -3.72 0.00 0.00 177.10 174.78 2qr0 n ASN 138 N 3.33 -6.33 -4.10 -4.21 4.13 -0.61 -2.15 115.26 105.32 2qr0 n ASN 138 Ca -0.19 -0.47 -0.14 0.00 1.68 0.00 0.00 54.58 55.47 2qr0 n ASN 138 Cb 0.53 -3.46 -0.11 0.00 -1.54 0.00 0.00 39.78 35.20 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 -2.91 0.80 0.00 3.10 -0.71 0.85 -4.41 117.98 114.70 2qr0 s PHE 139 Ca 0.03 -0.56 -0.00 0.00 -1.04 0.00 0.00 56.93 55.36 2qr0 s PHE 139 Cb -0.00 -0.47 -0.00 0.00 -1.21 0.00 0.00 43.02 41.34 2qr0 s PHE 139 CO 0.83 -0.07 -0.00 -0.47 -1.34 0.00 0.00 175.22 174.17 2qr0 s TYR 140 N -1.71 0.03 0.94 3.49 6.14 -0.33 -0.35 117.35 125.55 2qr0 s TYR 140 Ca -0.05 -0.06 -0.15 0.00 0.64 0.00 0.00 57.07 57.45 2qr0 s TYR 140 Cb -0.08 -0.02 0.21 0.00 0.42 0.00 0.00 41.96 42.50 2qr0 s TYR 140 CO 0.00 -0.02 1.27 -2.30 0.64 0.00 0.00 175.55 175.14 2qr0 n PRO 141 N 2.91 -1.19 -0.08 4.97 -0.02 -1.26 -1.65 135.00 138.67 2qr0 n PRO 141 Ca -0.13 -2.04 -0.02 0.00 -2.02 0.00 0.00 63.50 59.29 2qr0 n PRO 141 Cb 0.59 -1.29 0.23 0.00 -0.02 0.00 0.00 33.50 33.02 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 0.71 -5.34 -0.52 2.43 -1.98 -3.41 114.38 106.26 2qr0 h ARG 142 Ca -0.41 -0.15 -0.21 0.00 -0.81 0.00 0.00 59.98 58.40 2qr0 h ARG 142 Cb 1.15 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 30.58 2qr0 h ARG 142 CO 0.30 0.67 0.86 0.39 -1.51 0.00 0.00 179.97 180.68 2qr0 n GLU 143 N -4.28 0.57 -4.10 0.20 4.71 -1.26 -4.90 120.64 111.60 2qr0 n GLU 143 Ca 0.03 -0.45 -0.14 0.00 -0.01 0.00 0.00 57.16 56.59 2qr0 n GLU 143 Cb 0.23 -3.11 -0.13 0.00 -1.01 0.00 0.00 31.44 27.42 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 11.75 0.41 -0.24 0.62 0.00 -1.26 -4.62 121.76 128.42 2qr0 s ALA 144 Ca 1.03 -0.36 -0.03 0.00 0.00 0.00 0.00 51.96 52.60 2qr0 s ALA 144 Cb -0.32 -0.05 0.01 0.00 0.00 0.00 0.00 23.12 22.77 2qr0 s ALA 144 CO 0.23 0.05 -0.06 0.21 0.00 0.00 0.00 175.76 176.19 2qr0 s LYS 145 N -0.55 3.04 -0.12 0.00 2.20 -0.89 -5.03 119.74 118.39 2qr0 s LYS 145 Ca -0.02 -0.85 -0.03 0.00 -0.36 0.00 0.00 55.97 54.72 2qr0 s LYS 145 Cb -0.04 -2.99 -0.03 0.00 -1.51 0.00 0.00 37.83 33.26 2qr0 s LYS 145 CO -0.00 -0.32 -0.01 0.08 -0.36 0.00 0.00 175.35 174.73 2qr0 s VAL 146 N 1.38 4.15 -0.03 4.02 1.01 -1.26 -1.36 120.40 128.32 2qr0 s VAL 146 Ca 0.03 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.72 2qr0 s VAL 146 Cb -0.16 -2.78 0.02 0.00 0.00 0.00 0.00 36.38 33.47 2qr0 s VAL 146 CO -0.04 0.55 -0.02 -1.58 0.00 0.00 0.00 175.10 174.01 2qr0 s GLN 147 N -0.34 0.44 0.17 2.72 0.74 -0.85 -4.97 119.66 117.55 2qr0 s GLN 147 Ca 0.06 -0.01 -0.11 0.00 0.05 0.00 0.00 55.36 55.35 2qr0 s GLN 147 Cb -0.12 -0.54 -0.07 0.00 1.10 0.00 0.00 33.01 33.38 2qr0 s GLN 147 CO 0.02 -0.08 0.51 -1.58 -0.55 0.00 0.00 175.29 173.61 2qr0 s TRP 148 N 0.79 3.52 -0.18 1.67 0.52 -1.26 0.29 118.94 124.29 2qr0 s TRP 148 Ca -0.09 0.91 -0.02 0.00 0.02 0.00 0.00 56.10 56.93 2qr0 s TRP 148 Cb -0.12 -2.27 0.05 0.00 -1.15 0.00 0.00 33.47 29.99 2qr0 s TRP 148 CO -0.01 0.38 0.01 0.15 0.02 0.00 0.00 176.95 177.50 2qr0 s LYS 149 N -2.32 0.87 -0.44 4.98 3.01 0.35 -3.53 119.74 122.67 2qr0 s LYS 149 Ca 0.41 -0.44 -0.13 0.00 -1.01 0.00 0.00 55.97 54.80 2qr0 s LYS 149 Cb -0.13 -2.02 0.07 0.00 -1.01 0.00 0.00 37.83 34.74 2qr0 s LYS 149 CO 0.20 -0.57 0.33 0.08 0.51 0.00 0.00 175.35 175.90 2qr0 s VAL 150 N 1.79 4.82 -1.22 3.17 1.01 -0.88 -1.00 120.40 128.08 2qr0 s VAL 150 Ca -0.01 -1.17 -0.06 0.00 0.00 0.00 0.00 61.98 60.75 2qr0 s VAL 150 Cb -0.16 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 32.32 2qr0 s VAL 150 CO -0.07 -0.52 0.76 0.47 0.00 0.00 0.00 175.10 175.73 2qr0 n ASP 151 N 5.08 -3.00 -2.45 3.32 8.00 -0.06 -2.42 116.55 125.02 2qr0 n ASP 151 Ca -0.11 -0.85 -0.16 0.00 0.71 0.00 0.00 54.79 54.38 2qr0 n ASP 151 Cb 0.44 -4.10 -0.01 0.00 -0.02 0.00 0.00 41.12 37.43 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 -3.00 -4.72 -4.31 -2.24 4.13 -1.26 -4.99 115.26 98.87 2qr0 n ASN 152 Ca -0.22 0.09 -0.33 0.00 1.68 0.00 0.00 54.58 55.81 2qr0 n ASN 152 Cb 0.65 -3.97 -0.15 0.00 -1.54 0.00 0.00 39.78 34.77 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 -2.80 2.55 1.31 5.41 0.00 -1.01 -5.08 121.76 122.14 2qr0 s ALA 153 Ca 0.01 -0.98 -0.17 0.00 0.00 0.00 0.00 51.96 50.82 2qr0 s ALA 153 Cb -0.01 -1.23 0.33 0.00 0.00 0.00 0.00 23.12 22.22 2qr0 s ALA 153 CO 0.02 0.08 0.95 1.47 0.00 0.00 0.00 175.76 178.27 2qr0 n LEU 154 N 3.85 -1.36 -4.21 0.00 -0.00 -1.26 -2.07 117.00 111.95 2qr0 n LEU 154 Ca -0.19 -0.46 -0.14 0.00 -0.00 0.00 0.00 56.01 55.23 2qr0 n LEU 154 Cb 0.52 -1.15 -0.10 0.00 -0.00 0.00 0.00 43.42 42.68 2qr0 n LEU 154 CO 0.29 -3.85 -0.41 -1.10 -0.00 0.00 0.00 177.39 172.32 2qr0 s GLN 155 N -4.62 0.95 -0.05 1.47 -1.52 -1.23 -4.79 119.66 109.87 2qr0 s GLN 155 Ca 0.68 -1.33 0.02 0.00 -1.95 0.00 0.00 55.36 52.79 2qr0 s GLN 155 Cb -0.21 -0.54 0.02 0.00 -0.22 0.00 0.00 33.01 32.06 2qr0 s GLN 155 CO 0.63 0.07 -0.09 -1.12 -0.25 0.00 0.00 175.29 174.52 2qr0 s SER 156 N -2.88 1.37 -0.33 5.90 0.01 -1.26 -4.93 113.70 111.59 2qr0 s SER 156 Ca 0.12 -0.22 -0.04 0.00 1.31 0.00 0.00 55.95 57.12 2qr0 s SER 156 Cb 0.01 -0.61 0.04 0.00 0.21 0.00 0.00 66.02 65.67 2qr0 s SER 156 CO -0.00 0.00 0.10 0.61 0.41 0.00 0.00 173.24 174.36 2qr0 n GLY 157 N 3.83 -0.11 0.11 3.44 0.00 -1.26 -4.60 105.19 106.60 2qr0 n GLY 157 Ca -0.23 0.01 0.09 0.00 0.00 0.00 0.00 46.02 45.89 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 2.22 -3.79 1.61 2.04 -1.26 -5.01 115.26 110.92 2qr0 n ASN 158 Ca 0.02 -3.07 -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 -2.81 -0.22 0.03 0.53 1.04 -1.26 -1.99 113.70 109.02 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 0.46 -0.02 0.00 0.10 0.00 0.00 66.02 66.83 2qr0 s SER 159 CO 0.02 -0.14 -0.18 -1.10 0.98 0.00 0.00 173.24 172.83 2qr0 s GLN 160 N -0.13 1.23 -0.06 4.02 -0.21 -1.04 -4.91 119.66 118.56 2qr0 s GLN 160 Ca -0.02 -0.80 -0.02 0.00 0.02 0.00 0.00 55.36 54.54 2qr0 s GLN 160 Cb -0.03 -1.28 -0.04 0.00 1.00 0.00 0.00 33.01 32.67 2qr0 s GLN 160 CO 0.01 0.33 0.04 -1.21 -2.12 0.00 0.00 175.29 172.33 2qr0 s GLU 161 N -0.97 3.04 -0.04 2.91 2.02 -1.26 -1.00 118.70 123.40 2qr0 s GLU 161 Ca 0.05 -0.41 0.03 0.00 0.02 0.00 0.00 54.97 54.67 2qr0 s GLU 161 Cb -0.08 -2.85 0.00 0.00 0.10 0.00 0.00 34.13 31.31 2qr0 s GLU 161 CO 0.01 0.69 -0.13 0.45 0.02 0.00 0.00 175.26 176.30 2qr0 s SER 162 N -1.16 1.73 -0.12 -0.19 0.15 -0.19 -5.00 113.70 108.92 2qr0 s SER 162 Ca 0.16 -0.28 0.03 0.00 0.70 0.00 0.00 55.95 56.56 2qr0 s SER 162 Cb -0.12 -0.55 0.00 0.00 -1.71 0.00 0.00 66.02 63.65 2qr0 s SER 162 CO 0.06 0.09 -0.22 -0.69 1.20 0.00 0.00 173.24 173.69 2qr0 s VAL 163 N 0.24 2.20 0.72 4.45 1.01 -1.26 -1.00 120.40 126.76 2qr0 s VAL 163 Ca -0.06 -0.95 -0.16 0.00 0.00 0.00 0.00 61.98 60.81 2qr0 s VAL 163 Cb -0.11 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 2qr0 s VAL 163 CO 0.02 0.55 0.79 0.41 0.00 0.00 0.00 175.10 176.86 2qr0 n THR 164 N 3.73 2.37 -3.24 3.92 -1.04 0.91 -4.99 114.28 115.94 2qr0 n THR 164 Ca -0.19 -0.38 -0.35 0.00 -2.04 0.00 0.00 64.05 61.08 2qr0 n THR 164 Cb 0.52 -0.95 -0.06 0.00 -1.82 0.00 0.00 70.33 68.03 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 -3.08 4.08 0.11 -2.82 2.56 -1.26 -4.57 118.70 113.71 2qr0 s GLU 165 Ca 0.70 0.65 -0.36 0.00 0.00 0.00 0.00 54.97 55.96 2qr0 s GLU 165 Cb -0.35 -2.86 -0.17 0.00 2.00 0.00 0.00 34.13 32.75 2qr0 s GLU 165 CO 0.53 0.41 1.25 0.94 -0.56 0.00 0.00 175.26 177.84 2qr0 n GLN 166 N 0.64 1.03 -2.12 4.30 7.27 -1.26 -4.87 117.38 122.38 2qr0 n GLN 166 Ca -0.03 0.37 -0.38 0.00 0.07 0.00 0.00 57.00 57.03 2qr0 n GLN 166 Cb 0.52 -1.95 0.00 0.00 2.41 0.00 0.00 30.24 31.22 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 0.28 5.96 0.23 1.69 2.15 -0.79 -4.94 116.67 121.26 2qr0 s ASP 167 Ca 0.81 2.45 0.13 0.00 0.43 0.00 0.00 52.55 56.37 2qr0 s ASP 167 Cb -0.95 -2.61 0.01 0.00 -0.30 0.00 0.00 42.92 39.07 2qr0 s ASP 167 CO 0.49 -1.07 1.41 0.77 -0.17 0.00 0.00 175.17 176.60 2qr0 h SER 168 N 1.96 0.00 0.00 -0.34 4.64 -1.89 -2.87 113.55 115.05 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 0.66 -0.10 0.11 -0.87 0.00 0.00 176.83 177.22 2qr0 h LYS 169 N 0.00 0.00 -0.00 4.77 1.57 -1.93 -2.79 116.57 118.20 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 1.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.79 2qr0 h LYS 169 CO 0.09 0.00 -0.83 -0.40 -0.57 0.00 0.00 179.45 177.73 2qr0 n ASP 170 N -2.88 0.89 -0.76 0.86 5.68 -1.26 -4.82 116.55 114.26 2qr0 n ASP 170 Ca -0.01 -0.80 -0.09 0.00 -0.50 0.00 0.00 54.79 53.38 2qr0 n ASP 170 Cb 0.05 0.76 -0.03 0.00 -1.14 0.00 0.00 41.12 40.76 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 -1.44 -3.98 -4.94 -1.12 7.64 -1.08 -4.99 113.62 103.70 2qr0 n SER 171 Ca 0.05 0.20 -0.24 0.00 1.01 0.00 0.00 58.87 59.88 2qr0 n SER 171 Cb 0.34 -2.43 0.04 0.00 -1.01 0.00 0.00 64.21 61.14 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 -2.36 2.92 0.34 0.44 -4.23 -1.26 -4.53 115.64 106.95 2qr0 s THR 172 Ca 0.00 -0.37 0.08 0.00 -1.18 0.00 0.00 61.69 60.22 2qr0 s THR 172 Cb 0.00 -3.16 -0.05 0.00 1.34 0.00 0.00 72.50 70.64 2qr0 s THR 172 CO 0.00 -0.14 0.10 -0.31 -0.54 0.00 0.00 174.62 173.72 2qr0 s TYR 173 N -2.94 2.65 0.06 3.99 1.51 0.52 -1.88 117.35 121.26 2qr0 s TYR 173 Ca 0.56 -0.40 0.00 0.00 -1.01 0.00 0.00 57.07 56.23 2qr0 s TYR 173 Cb -0.10 -1.58 -0.04 0.00 -0.11 0.00 0.00 41.96 40.13 2qr0 s TYR 173 CO 0.42 0.39 -0.05 -1.12 -1.11 0.00 0.00 175.55 174.08 2qr0 s SER 174 N -3.80 0.72 -0.17 2.29 0.01 -1.26 -0.11 113.70 111.38 2qr0 s SER 174 Ca 0.37 -0.88 -0.14 0.00 1.31 0.00 0.00 55.95 56.61 2qr0 s SER 174 Cb -0.02 0.13 0.05 0.00 0.21 0.00 0.00 66.02 66.39 2qr0 s SER 174 CO 0.21 -0.46 0.45 -0.22 0.41 0.00 0.00 173.24 173.63 2qr0 s LEU 175 N -2.59 0.14 -0.10 2.44 0.20 0.13 -0.06 118.68 118.84 2qr0 s LEU 175 Ca 0.03 0.92 0.04 0.00 0.69 0.00 0.00 54.13 55.81 2qr0 s LEU 175 Cb 0.02 1.51 -0.00 0.00 -0.43 0.00 0.00 46.19 47.30 2qr0 s LEU 175 CO -0.06 -0.17 -0.23 -0.94 -0.29 0.00 0.00 176.35 174.66 2qr0 s SER 176 N 0.60 3.15 -0.15 3.68 1.04 -0.17 0.32 113.70 122.17 2qr0 s SER 176 Ca -0.03 -0.54 -0.02 0.00 0.48 0.00 0.00 55.95 55.84 2qr0 s SER 176 Cb -0.05 -1.33 -0.02 0.00 0.10 0.00 0.00 66.02 64.72 2qr0 s SER 176 CO -0.04 0.17 -0.07 -0.55 0.98 0.00 0.00 173.24 173.74 2qr0 s SER 177 N 0.26 4.46 -0.33 7.02 0.15 0.06 -1.02 113.70 124.31 2qr0 s SER 177 Ca -0.16 -0.23 0.02 0.00 0.70 0.00 0.00 55.95 56.29 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 0.15 0.03 -0.89 1.20 0.00 0.00 173.24 173.81 2qr0 s THR 178 N 0.46 2.46 -0.41 6.45 2.01 -0.17 -0.58 115.64 125.86 2qr0 s THR 178 Ca -0.06 -2.06 -0.24 0.00 0.31 0.00 0.00 61.69 59.64 2qr0 s THR 178 Cb -0.15 -2.68 0.02 0.00 0.01 0.00 0.00 72.50 69.70 2qr0 s THR 178 CO 0.03 -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 -0.17 4.42 2.96 0.13 -2.48 118.68 128.65 2qr0 s LEU 179 Ca 0.05 0.22 -0.07 0.00 -0.22 0.00 0.00 54.13 54.11 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 -0.88 0.05 -0.89 -1.32 0.00 0.00 176.35 173.25 2qr0 s THR 180 N 3.37 4.66 0.24 3.68 2.01 -0.84 -0.21 115.64 128.56 2qr0 s THR 180 Ca 0.34 -0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.26 2qr0 s THR 180 Cb -0.12 -3.09 -0.04 0.00 0.01 0.00 0.00 72.50 69.27 2qr0 s THR 180 CO 0.21 0.47 0.18 -0.76 -0.69 0.00 0.00 174.62 174.04 2qr0 s LEU 181 N 0.29 1.27 0.52 4.42 1.43 0.63 -4.85 118.68 122.40 2qr0 s LEU 181 Ca 0.03 -1.47 -0.08 0.00 -1.03 0.00 0.00 54.13 51.58 2qr0 s LEU 181 Cb -0.13 0.49 -0.04 0.00 0.03 0.00 0.00 46.19 46.54 2qr0 s LEU 181 CO 0.01 -0.91 0.87 -0.94 0.23 0.00 0.00 176.35 175.60 2qr0 s SER 182 N -3.21 6.27 0.22 2.29 1.04 -1.26 -0.55 113.70 118.50 2qr0 s SER 182 Ca 0.39 1.12 -0.09 0.00 0.48 0.00 0.00 55.95 57.84 2qr0 s SER 182 Cb 0.05 -2.33 0.18 0.00 0.10 0.00 0.00 66.02 64.02 2qr0 s SER 182 CO 0.16 -0.66 1.89 0.50 0.98 0.00 0.00 173.24 176.10 2qr0 h LYS 183 N 0.12 1.07 -0.27 4.02 3.64 -1.60 0.16 116.57 123.71 2qr0 h LYS 183 Ca -0.46 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 58.82 2qr0 h LYS 183 Cb 1.20 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 2qr0 h LYS 183 CO 0.62 0.71 0.04 0.00 -2.27 0.00 0.00 179.45 178.55 2qr0 h ALA 184 N 1.29 0.36 -0.46 5.00 0.00 -1.94 -0.13 119.26 123.38 2qr0 h ALA 184 Ca 0.29 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 2qr0 h ALA 184 Cb -0.11 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2qr0 h ALA 184 CO -0.06 0.05 -0.15 0.22 0.00 0.00 0.00 179.25 179.31 2qr0 h ASP 185 N 0.26 0.86 -0.45 0.00 3.58 -1.91 -2.74 116.42 116.03 2qr0 h ASP 185 Ca 0.08 -0.28 -0.07 0.00 0.42 0.00 0.00 57.03 57.18 2qr0 h ASP 185 Cb 0.34 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 2qr0 h ASP 185 CO 0.01 1.01 0.04 0.22 -2.88 0.00 0.00 179.24 177.63 2qr0 h TYR 186 N 0.77 0.88 0.00 0.28 5.03 -0.85 -2.99 116.97 120.08 2qr0 h TYR 186 Ca 0.12 -0.11 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2qr0 h TYR 186 Cb 0.67 -0.24 0.00 0.00 1.55 0.00 0.00 36.73 38.70 2qr0 h TYR 186 CO 0.04 0.79 0.00 0.39 -1.32 0.00 0.00 178.16 178.06 2qr0 n GLU 187 N -4.23 0.84 -0.33 1.82 -0.58 -0.07 -3.25 120.64 114.84 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 0.29 -1.48 0.22 0.00 -0.57 0.00 0.00 31.44 29.89 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 -0.98 3.02 -3.94 3.49 3.00 -1.13 -4.98 118.16 116.64 2qr0 n LYS 188 Ca 0.19 -2.45 -0.10 0.00 -0.00 0.00 0.00 58.31 55.96 2qr0 n LYS 188 Cb 0.09 -1.56 -0.10 0.00 0.00 0.00 0.00 35.03 33.46 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 -1.73 0.20 -0.18 5.64 3.76 -1.20 -5.10 115.29 116.68 2qr0 s HIS 189 Ca 0.34 -0.46 -0.04 0.00 -0.15 0.00 0.00 55.06 54.75 2qr0 s HIS 189 Cb 0.23 -0.15 -0.10 0.00 1.11 0.00 0.00 32.58 33.67 2qr0 s HIS 189 CO 0.15 -0.31 -0.19 0.36 -0.85 0.00 0.00 174.74 173.90 2qr0 n LYS 190 N 1.05 0.41 -3.52 1.40 2.85 -1.26 -4.88 118.16 114.20 2qr0 n LYS 190 Ca -0.21 0.13 -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 33.60 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 5.27 -0.08 0.58 1.01 -1.26 -3.34 120.40 120.24 2qr0 s VAL 191 Ca -0.24 0.32 0.03 0.00 0.00 0.00 0.00 61.98 62.09 2qr0 s VAL 191 Cb 0.08 -3.59 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 2qr0 s VAL 191 CO 0.36 0.23 -0.18 -0.31 0.00 0.00 0.00 175.10 175.20 2qr0 s TYR 192 N 1.79 2.64 -0.18 5.22 1.51 -0.89 -0.88 117.35 126.55 2qr0 s TYR 192 Ca 0.10 -0.52 -0.17 0.00 -1.01 0.00 0.00 57.07 55.47 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 -0.09 0.49 0.00 -1.11 0.00 0.00 175.55 174.94 2qr0 s ALA 193 N -0.18 -1.21 -0.09 3.71 0.00 -0.17 -1.32 121.76 122.49 2qr0 s ALA 193 Ca -0.01 1.40 0.02 0.00 0.00 0.00 0.00 51.96 53.37 2qr0 s ALA 193 Cb -0.13 -0.82 -0.02 0.00 0.00 0.00 0.00 23.12 22.15 2qr0 s ALA 193 CO 0.03 -0.24 -0.14 0.00 0.00 0.00 0.00 175.76 175.42 2qr0 s GLU 195 N -0.19 2.57 -0.19 0.00 2.12 0.15 -2.32 118.70 120.83 2qr0 s GLU 195 Ca 0.00 -1.20 -0.15 0.00 0.36 0.00 0.00 54.97 53.98 2qr0 s GLU 195 Cb -0.13 -3.36 -0.04 0.00 0.26 0.00 0.00 34.13 30.85 2qr0 s GLU 195 CO 0.03 -0.64 0.38 0.08 -0.54 0.00 0.00 175.26 174.57 2qr0 s VAL 196 N 1.35 5.22 -0.21 3.70 1.01 -0.01 -2.01 120.40 129.46 2qr0 s VAL 196 Ca -0.03 0.68 0.02 0.00 0.00 0.00 0.00 61.98 62.65 2qr0 s VAL 196 Cb -0.20 -3.71 0.03 0.00 0.00 0.00 0.00 36.38 32.51 2qr0 s VAL 196 CO 0.01 0.28 -0.16 -0.89 0.00 0.00 0.00 175.10 174.35 2qr0 s THR 197 N 1.13 2.16 0.02 3.92 2.01 -0.46 -2.49 115.64 121.92 2qr0 s THR 197 Ca 0.19 -1.20 -0.02 0.00 0.31 0.00 0.00 61.69 60.97 2qr0 s THR 197 Cb -0.14 -2.06 -0.02 0.00 0.01 0.00 0.00 72.50 70.29 2qr0 s THR 197 CO 0.07 0.31 0.00 -2.28 -0.69 0.00 0.00 174.62 172.04 2qr0 s HIS 198 N 1.22 0.23 0.54 4.92 2.46 -1.26 -2.09 115.29 121.31 2qr0 s HIS 198 Ca -0.00 -0.49 0.22 0.00 0.47 0.00 0.00 55.06 55.26 2qr0 s HIS 198 Cb -0.16 -0.17 1.42 0.00 -0.13 0.00 0.00 32.58 33.54 2qr0 s HIS 198 CO -0.09 -0.22 2.11 0.37 -2.47 0.00 0.00 174.74 174.43 2qr0 h GLN 199 N 4.47 0.00 0.00 2.88 4.15 -1.93 -3.31 115.11 121.36 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 -1.53 -1.62 3.76 2.39 0.00 -1.26 -4.81 105.19 102.12 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 -3.04 3.69 -0.02 0.99 -0.00 -1.25 -4.88 118.68 114.18 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 -0.33 0.00 -0.00 0.00 0.00 46.19 41.27 2qr0 s LEU 201 CO 0.00 -1.43 0.86 0.77 -0.00 0.00 0.00 176.35 176.55 2qr0 h SER 202 N 1.00 0.65 -3.65 1.48 4.64 -1.87 -3.43 113.55 112.36 2qr0 h SER 202 Ca -0.50 -0.92 -0.69 0.00 -0.47 0.00 0.00 61.79 59.20 2qr0 h SER 202 Cb 1.28 -0.21 -0.28 0.00 -0.31 0.00 0.00 62.40 62.87 2qr0 h SER 202 CO 0.56 1.63 -0.62 -0.55 -0.87 0.00 0.00 176.83 176.97 2qr0 s SER 203 N -7.31 5.19 -0.66 4.97 0.15 -1.26 -5.02 113.70 109.76 2qr0 s SER 203 Ca -0.13 -1.03 -0.39 0.00 0.70 0.00 0.00 55.95 55.11 2qr0 s SER 203 Cb 0.03 -1.85 -0.19 0.00 -1.71 0.00 0.00 66.02 62.30 2qr0 s SER 203 CO 0.88 -0.28 2.34 -2.65 1.20 0.00 0.00 173.24 174.73 2qr0 n PRO 204 N 4.81 0.09 -2.69 5.44 -0.02 -1.26 -4.83 135.00 136.53 2qr0 n PRO 204 Ca -0.13 0.02 -0.40 0.00 -2.02 0.00 0.00 63.50 60.97 2qr0 n PRO 204 Cb 0.45 -1.60 -0.06 0.00 -0.02 0.00 0.00 33.50 32.28 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 7.25 3.95 -0.03 -1.45 0.11 -1.04 -4.83 120.40 124.37 2qr0 s VAL 205 Ca 1.24 1.92 0.06 0.00 -2.93 0.00 0.00 61.98 62.27 2qr0 s VAL 205 Cb -1.35 -4.20 -0.01 0.00 -1.53 0.00 0.00 36.38 29.29 2qr0 s VAL 205 CO 0.58 0.42 -0.20 -0.89 -3.33 0.00 0.00 175.10 171.68 2qr0 s THR 206 N -1.23 1.65 -0.02 5.04 2.01 -1.26 -0.82 115.64 121.00 2qr0 s THR 206 Ca 0.43 -0.86 0.04 0.00 0.31 0.00 0.00 61.69 61.61 2qr0 s THR 206 Cb -0.26 -1.39 -0.01 0.00 0.01 0.00 0.00 72.50 70.85 2qr0 s THR 206 CO 0.33 0.47 -0.14 -0.75 -0.69 0.00 0.00 174.62 173.84 2qr0 s LYS 207 N -0.24 1.25 0.18 4.92 2.47 -0.98 -5.03 119.74 122.31 2qr0 s LYS 207 Ca 0.01 -0.48 -0.16 0.00 -1.56 0.00 0.00 55.97 53.79 2qr0 s LYS 207 Cb -0.10 -1.16 0.02 0.00 -1.46 0.00 0.00 37.83 35.13 2qr0 s LYS 207 CO 0.01 0.25 0.46 -1.54 0.16 0.00 0.00 175.35 174.69 2qr0 s SER 208 N -0.13 -0.20 0.12 1.43 1.04 -1.26 -1.78 113.70 112.93 2qr0 s SER 208 Ca 0.01 -0.53 -0.12 0.00 0.48 0.00 0.00 55.95 55.79 2qr0 s SER 208 Cb -0.08 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.59 2qr0 s SER 208 CO 0.00 -0.99 0.31 0.72 0.98 0.00 0.00 173.24 174.26 2qr0 s PHE 209 N -3.88 0.04 -0.09 5.02 -0.12 -0.43 -5.01 117.98 113.51 2qr0 s PHE 209 Ca 0.10 -0.41 0.04 0.00 -0.05 0.00 0.00 56.93 56.61 2qr0 s PHE 209 Cb 0.00 0.09 0.00 0.00 -0.63 0.00 0.00 43.02 42.49 2qr0 s PHE 209 CO -0.04 -0.66 -0.22 -0.80 -0.05 0.00 0.00 175.22 173.45 2qr0 s ASN 210 N -2.86 2.83 0.00 1.98 0.01 -1.26 -2.09 114.94 113.56 2qr0 s ASN 210 Ca 0.06 -0.50 0.29 0.00 -0.71 0.00 0.00 52.86 52.01 2qr0 s ASN 210 Cb 0.03 -1.22 1.76 0.00 0.41 0.00 0.00 41.25 42.23 2qr0 s ASN 210 CO -0.09 0.15 2.09 -2.11 -1.51 0.00 0.00 177.10 175.63