#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rw3 h TRP 25 N 0.00 0.70 -0.65 1.09 4.06 -1.99 -2.89 115.95 116.27 1rw3 h TRP 25 Ca 0.00 -0.51 0.18 0.00 2.06 0.00 0.00 58.89 60.62 1rw3 h TRP 25 Cb 0.00 -0.03 -0.03 0.00 -1.00 0.00 0.00 29.16 28.10 1rw3 h TRP 25 CO 0.00 1.54 0.46 1.25 -3.56 0.00 0.00 178.44 178.13 1rw3 h LEU 26 N 0.11 0.02 0.00 -4.49 6.46 -2.00 -1.27 115.31 114.13 1rw3 h LEU 26 Ca -0.28 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.48 1rw3 h LEU 26 Cb 2.09 -0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 42.02 1rw3 h LEU 26 CO 0.20 0.01 -0.03 -1.28 -0.62 0.00 0.00 178.44 176.73 1rw3 h SER 27 N 0.02 0.00 0.00 1.25 0.87 -1.98 -3.34 113.55 110.37 1rw3 h SER 27 Ca 0.31 -0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1rw3 h SER 27 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 1rw3 h SER 27 CO -0.01 0.65 0.00 0.47 -0.53 0.00 0.00 176.83 177.41 1rw3 n ASP 28 N -4.73 0.00 -2.89 6.23 9.92 -0.93 -3.73 116.55 120.42 1rw3 n ASP 28 Ca -0.03 -0.20 -0.13 0.00 -0.53 0.00 0.00 54.79 53.90 1rw3 n ASP 28 Cb 0.14 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 40.65 1rw3 n ASP 28 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1rw3 n PHE 29 N -0.90 -2.12 -0.17 1.24 3.72 -0.53 -5.05 117.46 113.67 1rw3 n PHE 29 Ca 0.03 -2.52 -0.08 0.00 -0.05 0.00 0.00 57.45 54.83 1rw3 n PHE 29 Cb 0.01 0.93 -0.07 0.00 -0.94 0.00 0.00 39.48 39.42 1rw3 n PHE 29 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1rw3 h PRO 30 N 3.55 -0.15 0.00 -1.08 0.11 -1.68 -2.43 132.00 130.31 1rw3 h PRO 30 Ca -0.06 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.06 1rw3 h PRO 30 Cb 1.01 0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1rw3 h PRO 30 CO 0.32 -0.10 0.00 0.00 -0.21 0.00 0.00 178.00 178.01 1rw3 n GLN 31 N -4.47 0.17 0.29 1.05 0.00 -1.26 -1.39 117.38 111.77 1rw3 n GLN 31 Ca -0.01 0.41 -0.16 0.00 0.00 0.00 0.00 57.00 57.25 1rw3 n GLN 31 Cb 0.20 -1.83 -0.08 0.00 0.00 0.00 0.00 30.24 28.53 1rw3 n GLN 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1rw3 h ALA 32 N 2.28 -0.73 -2.24 2.61 0.00 -1.70 -3.38 119.26 116.10 1rw3 h ALA 32 Ca 0.00 -0.19 -0.48 0.00 0.00 0.00 0.00 54.91 54.25 1rw3 h ALA 32 Cb 0.34 0.28 0.03 0.00 0.00 0.00 0.00 17.79 18.44 1rw3 h ALA 32 CO 0.00 -0.83 0.37 -1.58 0.00 0.00 0.00 179.25 177.22 1rw3 s TRP 33 N -5.36 3.25 0.17 0.00 0.52 -1.24 0.01 118.94 116.28 1rw3 s TRP 33 Ca -0.16 1.50 0.14 0.00 0.02 0.00 0.00 56.10 57.60 1rw3 s TRP 33 Cb 0.03 -2.89 0.38 0.00 -1.15 0.00 0.00 33.47 29.84 1rw3 s TRP 33 CO 0.56 -0.63 1.60 0.00 0.02 0.00 0.00 176.95 178.51 1rw3 h ALA 34 N 0.90 0.87 0.00 0.98 0.00 -1.73 0.72 119.26 121.02 1rw3 h ALA 34 Ca -0.47 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 53.93 1rw3 h ALA 34 Cb 1.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1rw3 h ALA 34 CO 0.60 0.70 0.00 1.05 0.00 0.00 0.00 179.25 181.60 1rw3 h GLU 35 N 0.00 0.00 0.00 0.00 9.09 -1.86 -3.00 114.58 118.81 1rw3 h GLU 35 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.40 1rw3 h GLU 35 Cb 1.13 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.23 1rw3 h GLU 35 CO 0.07 0.00 -0.26 0.25 0.05 0.00 0.00 179.01 179.12 1rw3 n THR 36 N -2.41 0.00 0.42 -1.06 -2.24 -1.17 -4.79 114.28 103.03 1rw3 n THR 36 Ca 0.01 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.90 1rw3 n THR 36 Cb 0.18 -0.23 0.47 0.00 -2.10 0.00 0.00 70.33 68.65 1rw3 n THR 36 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rw3 n GLY 37 N 1.38 -1.28 5.00 3.38 0.00 0.25 -4.68 105.19 109.25 1rw3 n GLY 37 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1rw3 n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rw3 n GLY 38 N 0.08 0.51 3.63 -0.02 0.00 -1.13 -4.81 105.19 103.45 1rw3 n GLY 38 Ca 0.02 -1.15 -0.37 0.00 0.00 0.00 0.00 46.02 44.53 1rw3 n GLY 38 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1rw3 s MET 39 N 0.00 4.01 0.78 1.61 1.75 -1.26 -4.70 119.30 121.50 1rw3 s MET 39 Ca 0.00 -0.30 -0.14 0.00 -1.25 0.00 0.00 55.69 54.00 1rw3 s MET 39 Cb 0.00 -3.57 0.05 0.00 2.84 0.00 0.00 34.83 34.15 1rw3 s MET 39 CO 0.00 -0.02 1.05 0.41 -0.65 0.00 0.00 175.02 175.81 1rw3 n GLY 40 N 4.55 -0.32 2.73 2.11 0.00 -1.26 -5.02 105.19 107.99 1rw3 n GLY 40 Ca -0.15 -0.44 -0.02 0.00 0.00 0.00 0.00 46.02 45.41 1rw3 n GLY 40 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1rw3 s LEU 41 N -4.26 -0.51 -0.74 0.99 0.20 -1.16 -4.33 118.68 108.87 1rw3 s LEU 41 Ca 0.72 -0.52 -0.35 0.00 0.69 0.00 0.00 54.13 54.67 1rw3 s LEU 41 Cb -0.31 0.67 -0.19 0.00 -0.43 0.00 0.00 46.19 45.93 1rw3 s LEU 41 CO 0.52 -0.03 2.45 0.00 -0.29 0.00 0.00 176.35 179.00 1rw3 n ALA 42 N 2.95 0.36 0.14 5.97 0.00 -0.52 -4.49 120.51 124.92 1rw3 n ALA 42 Ca 0.11 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1rw3 n ALA 42 Cb 0.63 -2.29 0.29 0.00 0.00 0.00 0.00 19.45 18.08 1rw3 n ALA 42 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1rw3 h VAL 43 N 7.56 1.29 0.00 0.00 -1.51 -1.29 -2.84 116.25 119.46 1rw3 h VAL 43 Ca -0.10 -1.41 -0.07 0.00 -1.23 0.00 0.00 66.70 63.89 1rw3 h VAL 43 Cb 1.35 1.69 -0.01 0.00 -2.13 0.00 0.00 31.29 32.18 1rw3 h VAL 43 CO 1.24 0.41 -0.33 0.03 -1.23 0.00 0.00 177.57 177.69 1rw3 h ARG 44 N 0.10 0.00 -5.49 5.19 2.47 -1.88 -3.44 114.38 111.34 1rw3 h ARG 44 Ca 0.01 0.00 -0.60 0.00 -1.26 0.00 0.00 59.98 58.13 1rw3 h ARG 44 Cb 0.74 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 28.95 1rw3 h ARG 44 CO 0.06 0.33 -0.20 -0.65 0.56 0.00 0.00 179.97 180.07 1rw3 s GLN 45 N -3.56 4.21 0.67 0.04 -1.52 -1.07 -5.09 119.66 113.34 1rw3 s GLN 45 Ca 0.01 0.23 -0.08 0.00 -1.95 0.00 0.00 55.36 53.57 1rw3 s GLN 45 Cb 0.10 -3.51 0.03 0.00 -0.22 0.00 0.00 33.01 29.42 1rw3 s GLN 45 CO 0.68 0.03 1.00 0.00 -0.25 0.00 0.00 175.29 176.75 1rw3 s ALA 46 N 1.10 3.10 0.70 6.09 0.00 -1.26 -4.84 121.76 126.64 1rw3 s ALA 46 Ca 0.20 -0.67 -0.16 0.00 0.00 0.00 0.00 51.96 51.33 1rw3 s ALA 46 Cb -0.15 -2.74 0.02 0.00 0.00 0.00 0.00 23.12 20.26 1rw3 s ALA 46 CO 0.08 -1.10 1.23 -2.14 0.00 0.00 0.00 175.76 173.83 1rw3 s PRO 47 N -5.20 2.32 0.14 0.00 0.02 -1.26 -4.62 135.00 126.39 1rw3 s PRO 47 Ca 0.57 1.85 0.08 0.00 0.02 0.00 0.00 61.00 63.52 1rw3 s PRO 47 Cb -0.11 -1.84 -0.04 0.00 0.02 0.00 0.00 34.50 32.53 1rw3 s PRO 47 CO 0.47 -1.72 -0.18 -0.48 -0.33 0.00 0.00 177.00 174.76 1rw3 s LEU 48 N -4.84 2.39 0.10 -5.54 0.05 -0.65 -4.73 118.68 105.45 1rw3 s LEU 48 Ca 0.77 -0.80 -0.11 0.00 0.05 0.00 0.00 54.13 54.04 1rw3 s LEU 48 Cb -0.31 -0.81 -0.06 0.00 -2.05 0.00 0.00 46.19 42.96 1rw3 s LEU 48 CO 0.43 -0.02 0.44 -0.63 -0.55 0.00 0.00 176.35 176.01 1rw3 s ILE 49 N -1.77 5.03 -0.44 1.48 1.09 -1.26 -1.22 121.20 124.11 1rw3 s ILE 49 Ca 0.12 0.55 0.01 0.00 -1.10 0.00 0.00 60.65 60.23 1rw3 s ILE 49 Cb -0.07 -3.67 0.12 0.00 -1.06 0.00 0.00 42.46 37.78 1rw3 s ILE 49 CO 0.05 0.28 0.19 -0.63 -0.10 0.00 0.00 174.94 174.73 1rw3 s ILE 50 N -1.41 2.80 -0.07 2.92 -1.09 -1.26 -5.04 121.20 118.05 1rw3 s ILE 50 Ca 0.34 -2.57 -0.30 0.00 -2.23 0.00 0.00 60.65 55.89 1rw3 s ILE 50 Cb -0.14 -2.96 -0.04 0.00 -1.58 0.00 0.00 42.46 37.74 1rw3 s ILE 50 CO 0.18 -0.70 1.48 -2.84 -1.23 0.00 0.00 174.94 171.83 1rw3 s PRO 51 N 0.57 4.22 0.76 2.79 0.02 -1.26 -4.92 135.00 137.19 1rw3 s PRO 51 Ca 0.12 1.99 -0.04 0.00 0.02 0.00 0.00 61.00 63.10 1rw3 s PRO 51 Cb -0.22 -3.80 0.14 0.00 0.02 0.00 0.00 34.50 30.64 1rw3 s PRO 51 CO -0.05 -0.73 1.05 -0.51 -0.33 0.00 0.00 177.00 176.44 1rw3 s LEU 52 N 3.39 2.93 0.36 -5.54 1.43 -1.26 -2.45 118.68 117.54 1rw3 s LEU 52 Ca 0.66 -0.24 -0.20 0.00 -1.03 0.00 0.00 54.13 53.32 1rw3 s LEU 52 Cb -0.30 -2.05 -0.10 0.00 0.03 0.00 0.00 46.19 43.77 1rw3 s LEU 52 CO 0.25 -2.02 0.87 -0.54 0.23 0.00 0.00 176.35 175.13 1rw3 s LYS 53 N -5.28 4.22 0.16 1.70 1.02 -0.94 -4.10 119.74 116.52 1rw3 s LYS 53 Ca 0.68 1.00 -0.14 0.00 0.02 0.00 0.00 55.97 57.52 1rw3 s LYS 53 Cb -0.05 -2.41 0.05 0.00 -0.52 0.00 0.00 37.83 34.90 1rw3 s LYS 53 CO 0.46 0.11 1.79 0.00 -0.92 0.00 0.00 175.35 176.78 1rw3 h ALA 54 N 2.33 0.65 0.00 5.17 0.00 -1.97 -2.49 119.26 122.95 1rw3 h ALA 54 Ca -0.48 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.35 1rw3 h ALA 54 Cb 1.18 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1rw3 h ALA 54 CO 0.63 0.15 0.00 0.25 0.00 0.00 0.00 179.25 180.28 1rw3 n THR 55 N -4.67 0.68 -2.86 0.00 -2.24 -1.26 -4.81 114.28 99.13 1rw3 n THR 55 Ca 0.02 0.17 -0.37 0.00 -2.27 0.00 0.00 64.05 61.61 1rw3 n THR 55 Cb 0.07 -0.98 -0.06 0.00 -2.10 0.00 0.00 70.33 67.25 1rw3 n THR 55 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1rw3 s SER 56 N -2.55 7.26 0.16 3.42 0.01 -0.94 -5.07 113.70 115.99 1rw3 s SER 56 Ca 0.11 1.73 0.07 0.00 1.31 0.00 0.00 55.95 59.17 1rw3 s SER 56 Cb 0.08 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.72 1rw3 s SER 56 CO 0.17 -0.05 -0.16 0.42 0.41 0.00 0.00 173.24 174.03 1rw3 s THR 57 N -1.62 1.63 0.81 1.44 -4.23 -1.26 -4.96 115.64 107.45 1rw3 s THR 57 Ca 0.49 -1.94 -0.14 0.00 -1.18 0.00 0.00 61.69 58.91 1rw3 s THR 57 Cb -0.18 -1.81 0.02 0.00 1.34 0.00 0.00 72.50 71.87 1rw3 s THR 57 CO 0.23 -0.44 0.69 -2.65 -0.54 0.00 0.00 174.62 171.91 1rw3 n PRO 58 N 0.16 0.10 -4.64 3.99 -0.02 -1.26 -5.02 135.00 128.30 1rw3 n PRO 58 Ca -0.12 0.09 -0.23 0.00 -2.02 0.00 0.00 63.50 61.22 1rw3 n PRO 58 Cb 0.58 -2.01 -0.15 0.00 -0.02 0.00 0.00 33.50 31.90 1rw3 n PRO 58 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1rw3 s VAL 59 N -2.11 1.17 -0.08 -1.45 0.11 -1.26 -4.95 120.40 111.83 1rw3 s VAL 59 Ca 0.65 -0.70 -0.02 0.00 -2.93 0.00 0.00 61.98 58.99 1rw3 s VAL 59 Cb -0.29 -0.99 0.03 0.00 -1.53 0.00 0.00 36.38 33.60 1rw3 s VAL 59 CO 0.59 0.28 0.01 -0.55 -3.33 0.00 0.00 175.10 172.09 1rw3 s SER 60 N -0.47 1.72 -0.13 3.54 0.15 -1.26 -0.62 113.70 116.63 1rw3 s SER 60 Ca 0.05 -0.16 -0.02 0.00 0.70 0.00 0.00 55.95 56.52 1rw3 s SER 60 Cb -0.06 -0.46 -0.03 0.00 -1.71 0.00 0.00 66.02 63.77 1rw3 s SER 60 CO -0.00 -0.21 -0.04 -0.63 1.20 0.00 0.00 173.24 173.56 1rw3 s ILE 61 N 1.96 3.86 0.59 6.45 -1.09 -0.76 -4.95 121.20 127.27 1rw3 s ILE 61 Ca 0.04 -0.39 -0.19 0.00 -2.23 0.00 0.00 60.65 57.88 1rw3 s ILE 61 Cb -0.13 -2.65 -0.04 0.00 -1.58 0.00 0.00 42.46 38.06 1rw3 s ILE 61 CO -0.06 0.53 1.15 0.29 -1.23 0.00 0.00 174.94 175.62 1rw3 n LYS 62 N 3.08 1.17 -3.23 2.79 4.76 -1.26 -4.75 118.16 120.71 1rw3 n LYS 62 Ca -0.18 0.44 -0.39 0.00 -2.87 0.00 0.00 58.31 55.32 1rw3 n LYS 62 Cb 0.53 -2.35 -0.06 0.00 -1.84 0.00 0.00 35.03 31.31 1rw3 n LYS 62 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1rw3 s GLN 63 N -2.91 4.32 0.30 1.97 2.00 -1.26 -4.85 119.66 119.22 1rw3 s GLN 63 Ca 0.76 0.65 -0.29 0.00 -2.00 0.00 0.00 55.36 54.48 1rw3 s GLN 63 Cb -0.41 -3.38 -0.13 0.00 0.80 0.00 0.00 33.01 29.89 1rw3 s GLN 63 CO 0.46 0.28 1.32 0.98 -0.50 0.00 0.00 175.29 177.83 1rw3 n TYR 64 N 3.12 2.18 -0.62 1.67 9.36 -1.26 -4.83 117.16 126.78 1rw3 n TYR 64 Ca -0.06 0.51 -0.15 0.00 3.32 0.00 0.00 57.90 61.52 1rw3 n TYR 64 Cb 0.51 -2.43 -0.04 0.00 -0.63 0.00 0.00 39.34 36.75 1rw3 n TYR 64 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 1rw3 n PRO 65 N 1.19 1.57 -1.02 2.98 -0.02 -1.26 -4.94 135.00 133.50 1rw3 n PRO 65 Ca 0.08 -1.04 -0.38 0.00 -2.02 0.00 0.00 63.50 60.14 1rw3 n PRO 65 Cb 0.34 -2.15 -0.04 0.00 -0.02 0.00 0.00 33.50 31.62 1rw3 n PRO 65 CO 0.00 0.00 0.00 -0.12 1.98 0.00 0.00 175.50 177.36 1rw3 n MET 66 N 3.65 0.00 -2.30 -0.52 1.56 -1.26 -4.88 117.12 113.37 1rw3 n MET 66 Ca 0.34 0.00 -0.35 0.00 -0.27 0.00 0.00 57.70 57.41 1rw3 n MET 66 Cb 0.26 -0.92 -0.01 0.00 2.15 0.00 0.00 33.22 34.71 1rw3 n MET 66 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 1rw3 s SER 67 N -0.25 5.91 0.00 6.12 1.04 -1.26 -4.67 113.70 120.59 1rw3 s SER 67 Ca 0.57 2.16 0.00 0.00 0.48 0.00 0.00 55.95 59.16 1rw3 s SER 67 Cb -0.80 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 62.74 1rw3 s SER 67 CO 0.39 -1.09 0.75 1.67 0.98 0.00 0.00 173.24 175.95 1rw3 n GLN 68 N -1.08 0.00 0.02 4.02 7.27 -1.26 0.83 117.38 127.18 1rw3 n GLN 68 Ca 0.10 0.28 -0.01 0.00 0.07 0.00 0.00 57.00 57.44 1rw3 n GLN 68 Cb 0.51 -1.60 -0.01 0.00 2.41 0.00 0.00 30.24 31.54 1rw3 n GLN 68 CO 0.00 0.00 0.00 0.93 0.07 0.00 0.00 177.06 178.06 1rw3 h GLU 69 N 0.00 -0.09 0.00 3.69 3.07 -1.98 -3.22 114.58 116.05 1rw3 h GLU 69 Ca 0.00 0.01 -0.12 0.00 -0.50 0.00 0.00 59.36 58.75 1rw3 h GLU 69 Cb 0.21 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 28.12 1rw3 h GLU 69 CO 0.00 -0.06 -0.57 0.00 -1.40 0.00 0.00 179.01 176.97 1rw3 h ALA 70 N -1.54 0.91 0.00 3.43 0.00 -1.69 0.37 119.26 120.75 1rw3 h ALA 70 Ca -0.01 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1rw3 h ALA 70 Cb 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1rw3 h ALA 70 CO 0.02 0.72 0.00 -2.13 0.00 0.00 0.00 179.25 177.85 1rw3 n ARG 71 N -3.65 0.43 0.00 0.00 3.00 0.24 -2.57 116.66 114.12 1rw3 n ARG 71 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.84 1rw3 n ARG 71 Cb 0.62 -1.46 0.00 0.00 0.00 0.00 0.00 32.46 31.62 1rw3 n ARG 71 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 1rw3 n LEU 72 N -0.96 0.05 -0.03 6.15 7.94 -0.61 -4.64 117.00 124.90 1rw3 n LEU 72 Ca 0.09 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.85 1rw3 n LEU 72 Cb 0.04 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 43.90 1rw3 n LEU 72 CO 0.07 0.01 0.52 1.23 -1.11 0.00 0.00 177.39 178.11 1rw3 h GLY 73 N 0.00 0.23 -0.43 -3.96 0.00 -0.02 -3.27 103.07 95.62 1rw3 h GLY 73 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1rw3 h GLY 73 CO 0.00 0.27 0.00 0.29 0.00 0.00 0.00 176.54 177.10 1rw3 n ILE 74 N -4.59 0.18 -0.17 2.60 -5.35 -1.09 -4.06 119.36 106.88 1rw3 n ILE 74 Ca -0.08 -0.23 -0.07 0.00 -0.27 0.00 0.00 62.75 62.10 1rw3 n ILE 74 Cb 0.40 0.12 0.02 0.00 -1.74 0.00 0.00 39.64 38.45 1rw3 n ILE 74 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1rw3 h LYS 75 N 1.30 0.67 -0.34 6.28 3.64 -1.76 -2.49 116.57 123.87 1rw3 h LYS 75 Ca 0.00 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 1rw3 h LYS 75 Cb 0.29 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1rw3 h LYS 75 CO 0.00 0.44 0.20 -1.35 -2.27 0.00 0.00 179.45 176.47 1rw3 h PRO 76 N 0.69 0.40 -0.36 1.90 0.11 -1.81 0.36 132.00 133.29 1rw3 h PRO 76 Ca 0.19 -0.02 0.10 0.00 0.11 0.00 0.00 66.00 66.38 1rw3 h PRO 76 Cb -0.07 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 30.94 1rw3 h PRO 76 CO -0.05 0.26 0.28 1.25 -0.21 0.00 0.00 178.00 179.53 1rw3 h HIS 77 N 0.41 0.00 0.09 0.65 2.76 -1.76 0.27 115.15 117.56 1rw3 h HIS 77 Ca 0.13 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.30 1rw3 h HIS 77 Cb -0.00 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.96 1rw3 h HIS 77 CO -0.07 0.00 -0.04 0.82 -1.30 0.00 0.00 177.93 177.34 1rw3 h ILE 78 N 0.00 0.82 -0.74 6.26 1.08 -0.73 -3.20 117.51 121.00 1rw3 h ILE 78 Ca 0.17 -1.39 0.17 0.00 -0.39 0.00 0.00 64.86 63.42 1rw3 h ILE 78 Cb 0.72 1.48 -0.13 0.00 -3.07 0.00 0.00 36.82 35.83 1rw3 h ILE 78 CO -0.00 0.25 0.03 -0.61 -0.69 0.00 0.00 178.15 177.13 1rw3 h GLN 79 N -0.95 0.12 -0.05 2.37 5.75 0.14 -0.01 115.11 122.48 1rw3 h GLN 79 Ca -0.01 -0.01 0.04 0.00 -0.15 0.00 0.00 58.65 58.52 1rw3 h GLN 79 Cb 0.50 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.98 1rw3 h GLN 79 CO 0.02 0.08 -0.22 -0.09 -2.65 0.00 0.00 178.83 175.97 1rw3 h ARG 80 N 0.13 -0.31 -0.56 1.69 2.43 -0.66 -2.50 114.38 114.59 1rw3 h ARG 80 Ca 0.41 0.02 0.10 0.00 -0.81 0.00 0.00 59.98 59.70 1rw3 h ARG 80 Cb 0.71 0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 30.25 1rw3 h ARG 80 CO -0.63 -0.21 0.13 -0.07 -1.51 0.00 0.00 179.97 177.68 1rw3 h LEU 81 N -0.32 0.02 -0.42 3.80 4.07 -1.01 0.01 115.31 121.45 1rw3 h LEU 81 Ca 0.08 0.10 0.08 0.00 0.08 0.00 0.00 57.88 58.21 1rw3 h LEU 81 Cb 0.43 0.13 -0.07 0.00 1.08 0.00 0.00 40.66 42.23 1rw3 h LEU 81 CO -0.24 0.03 0.00 -0.07 -1.08 0.00 0.00 178.44 177.09 1rw3 h LEU 82 N 0.27 -0.17 -0.55 1.67 -0.00 -0.94 -1.62 115.31 113.98 1rw3 h LEU 82 Ca 0.29 0.10 -0.02 0.00 -0.00 0.00 0.00 57.88 58.25 1rw3 h LEU 82 Cb 0.41 0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 41.22 1rw3 h LEU 82 CO -0.37 -0.05 0.25 0.44 -0.00 0.00 0.00 178.44 178.72 1rw3 h ASP 83 N 0.11 0.72 0.00 -0.43 3.32 -0.94 -0.82 116.42 118.38 1rw3 h ASP 83 Ca 0.21 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.12 1rw3 h ASP 83 Cb 0.30 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1rw3 h ASP 83 CO -0.35 0.66 0.00 0.00 -1.72 0.00 0.00 179.24 177.83 1rw3 n GLN 84 N -4.56 0.47 -0.03 3.56 6.02 -0.09 -4.79 117.38 117.96 1rw3 n GLN 84 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.02 1rw3 n GLN 84 Cb 0.13 -1.02 0.00 0.00 1.02 0.00 0.00 30.24 30.36 1rw3 n GLN 84 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rw3 n GLY 85 N -0.03 0.48 0.28 1.08 0.00 -0.31 -4.76 105.19 101.93 1rw3 n GLY 85 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.20 1rw3 n GLY 85 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1rw3 h ILE 86 N 0.00 0.09 -4.39 -0.61 2.04 -1.62 -3.42 117.51 109.61 1rw3 h ILE 86 Ca 0.00 -0.49 -0.69 0.00 1.00 0.00 0.00 64.86 64.68 1rw3 h ILE 86 Cb 0.00 1.44 -0.28 0.00 -0.74 0.00 0.00 36.82 37.24 1rw3 h ILE 86 CO 0.00 0.03 -0.88 -0.22 0.00 0.00 0.00 178.15 177.08 1rw3 s LEU 87 N -6.31 2.13 -0.05 1.44 2.96 -1.13 -2.14 118.68 115.57 1rw3 s LEU 87 Ca -0.00 -0.55 -0.20 0.00 -0.22 0.00 0.00 54.13 53.16 1rw3 s LEU 87 Cb 0.10 -1.29 0.04 0.00 0.50 0.00 0.00 46.19 45.54 1rw3 s LEU 87 CO 0.53 0.27 0.45 0.68 -1.32 0.00 0.00 176.35 176.97 1rw3 s VAL 88 N -0.74 0.03 1.14 1.68 -7.23 -0.14 -4.28 120.40 110.85 1rw3 s VAL 88 Ca 0.11 -0.25 -0.13 0.00 -1.81 0.00 0.00 61.98 59.90 1rw3 s VAL 88 Cb -0.10 -0.74 0.25 0.00 0.56 0.00 0.00 36.38 36.35 1rw3 s VAL 88 CO 0.01 -0.14 0.92 -0.81 -0.31 0.00 0.00 175.10 174.77 1rw3 n PRO 89 N 1.41 -2.12 -3.23 4.82 -0.04 -1.26 0.13 135.00 134.71 1rw3 n PRO 89 Ca -0.19 -0.58 0.00 0.00 -0.04 0.00 0.00 63.50 62.68 1rw3 n PRO 89 Cb 0.56 -2.14 0.00 0.00 -0.04 0.00 0.00 33.50 31.88 1rw3 n PRO 89 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1rw3 s GLN 91 N -1.37 0.10 -0.15 0.00 -0.21 -1.26 -4.27 119.66 112.50 1rw3 s GLN 91 Ca 0.00 0.17 -0.15 0.00 0.02 0.00 0.00 55.36 55.40 1rw3 s GLN 91 Cb 0.00 -0.38 0.04 0.00 1.00 0.00 0.00 33.01 33.67 1rw3 s GLN 91 CO 0.00 -0.18 0.41 0.45 -2.12 0.00 0.00 175.29 173.86 1rw3 s SER 92 N 1.19 -0.42 0.60 5.90 0.15 -1.26 -4.98 113.70 114.87 1rw3 s SER 92 Ca -0.07 0.80 0.36 0.00 0.70 0.00 0.00 55.95 57.73 1rw3 s SER 92 Cb -0.13 0.82 1.89 0.00 -1.71 0.00 0.00 66.02 66.89 1rw3 s SER 92 CO -0.03 -0.16 2.21 -0.65 1.20 0.00 0.00 173.24 175.81 1rw3 h PRO 93 N 5.38 0.00 -6.41 5.44 0.11 -1.93 -3.41 132.00 131.18 1rw3 h PRO 93 Ca -0.27 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.30 1rw3 h PRO 93 Cb 1.18 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1rw3 h PRO 93 CO 0.25 0.03 -0.08 -1.58 -0.21 0.00 0.00 178.00 176.41 1rw3 s TRP 94 N -4.18 3.51 -0.30 0.65 0.52 -1.26 -4.08 118.94 113.81 1rw3 s TRP 94 Ca -0.03 0.99 -0.10 0.00 0.02 0.00 0.00 56.10 56.97 1rw3 s TRP 94 Cb 0.13 -2.33 0.15 0.00 -1.15 0.00 0.00 33.47 30.26 1rw3 s TRP 94 CO 0.50 0.33 0.76 1.21 0.02 0.00 0.00 176.95 179.78 1rw3 s ASN 95 N -2.05 -0.98 0.40 2.95 2.47 0.21 -4.51 114.94 113.43 1rw3 s ASN 95 Ca 0.43 1.18 0.08 0.00 0.42 0.00 0.00 52.86 54.97 1rw3 s ASN 95 Cb -0.13 2.05 -0.03 0.00 -1.45 0.00 0.00 41.25 41.69 1rw3 s ASN 95 CO 0.20 -0.19 0.31 0.42 -3.72 0.00 0.00 177.10 174.13 1rw3 s THR 96 N 2.77 2.74 -0.00 -5.21 -4.23 -0.98 -1.82 115.64 108.90 1rw3 s THR 96 Ca -0.01 -1.44 -0.19 0.00 -1.18 0.00 0.00 61.69 58.87 1rw3 s THR 96 Cb -0.11 -3.02 -0.06 0.00 1.34 0.00 0.00 72.50 70.66 1rw3 s THR 96 CO -0.18 -0.04 0.54 -2.84 -0.54 0.00 0.00 174.62 171.56 1rw3 s PRO 97 N -4.05 4.23 -0.20 3.99 0.02 -1.26 -4.39 135.00 133.34 1rw3 s PRO 97 Ca 0.45 0.64 -0.08 0.00 0.02 0.00 0.00 61.00 62.04 1rw3 s PRO 97 Cb -0.02 -3.31 -0.04 0.00 0.02 0.00 0.00 34.50 31.15 1rw3 s PRO 97 CO 0.26 0.45 0.08 -1.17 -0.33 0.00 0.00 177.00 176.29 1rw3 s LEU 98 N -0.44 3.80 -0.02 -5.54 2.96 -1.26 -1.49 118.68 116.69 1rw3 s LEU 98 Ca 0.29 0.04 0.06 0.00 -0.22 0.00 0.00 54.13 54.30 1rw3 s LEU 98 Cb -0.18 -1.98 -0.01 0.00 0.50 0.00 0.00 46.19 44.52 1rw3 s LEU 98 CO 0.16 0.13 -0.22 -0.76 -1.32 0.00 0.00 176.35 174.34 1rw3 s LEU 99 N 0.65 2.03 0.84 -0.68 1.02 -0.05 -4.78 118.68 117.71 1rw3 s LEU 99 Ca 0.04 -0.41 -0.12 0.00 0.02 0.00 0.00 54.13 53.66 1rw3 s LEU 99 Cb -0.13 -1.14 0.09 0.00 0.02 0.00 0.00 46.19 45.03 1rw3 s LEU 99 CO 0.01 0.26 1.17 -2.16 0.02 0.00 0.00 176.35 175.65 1rw3 s PRO 100 N -0.43 1.75 -0.44 1.29 0.04 -1.26 0.83 135.00 136.78 1rw3 s PRO 100 Ca 0.06 0.15 0.07 0.00 0.04 0.00 0.00 61.00 61.32 1rw3 s PRO 100 Cb -0.09 -1.92 0.18 0.00 0.04 0.00 0.00 34.50 32.70 1rw3 s PRO 100 CO -0.00 -1.75 0.62 0.08 0.04 0.00 0.00 177.00 175.99 1rw3 s VAL 101 N -3.51 -0.88 0.15 -0.36 1.01 -0.66 -4.81 120.40 111.33 1rw3 s VAL 101 Ca 0.63 -0.52 -0.34 0.00 0.00 0.00 0.00 61.98 61.74 1rw3 s VAL 101 Cb -0.12 -0.11 -0.15 0.00 0.00 0.00 0.00 36.38 36.00 1rw3 s VAL 101 CO 0.50 -0.11 1.46 1.17 0.00 0.00 0.00 175.10 178.12 1rw3 n LYS 102 N 3.87 1.77 -1.70 2.72 4.81 -1.26 -3.67 118.16 124.70 1rw3 n LYS 102 Ca 0.14 0.64 -0.43 0.00 -0.87 0.00 0.00 58.31 57.79 1rw3 n LYS 102 Cb 0.55 -2.34 -0.02 0.00 0.02 0.00 0.00 35.03 33.25 1rw3 n LYS 102 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1rw3 n LYS 103 N 2.89 2.24 -1.38 1.64 0.00 0.96 -4.72 118.16 119.78 1rw3 n LYS 103 Ca 0.17 0.79 -0.12 0.00 0.00 0.00 0.00 58.31 59.14 1rw3 n LYS 103 Cb 0.26 -2.45 -0.11 0.00 0.00 0.00 0.00 35.03 32.73 1rw3 n LYS 103 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1rw3 n PRO 104 N 1.45 0.13 0.00 1.64 -0.02 -1.26 -1.66 135.00 135.27 1rw3 n PRO 104 Ca 0.08 -0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.09 1rw3 n PRO 104 Cb 0.34 -2.04 0.00 0.00 -0.02 0.00 0.00 33.50 31.78 1rw3 n PRO 104 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rw3 n GLY 105 N 5.58 3.14 3.97 -1.23 0.00 -1.26 -5.08 105.19 110.30 1rw3 n GLY 105 Ca 0.39 -1.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.18 1rw3 n GLY 105 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1rw3 s THR 106 N -0.24 3.45 -0.73 2.61 -4.23 -0.66 -4.96 115.64 110.87 1rw3 s THR 106 Ca 0.00 -0.71 0.01 0.00 -1.18 0.00 0.00 61.69 59.81 1rw3 s THR 106 Cb 0.00 -3.25 0.07 0.00 1.34 0.00 0.00 72.50 70.66 1rw3 s THR 106 CO 0.00 -0.15 0.72 0.59 -0.54 0.00 0.00 174.62 175.24 1rw3 n ASN 107 N -2.06 1.80 -4.55 3.99 3.02 -1.26 -3.53 115.26 112.67 1rw3 n ASN 107 Ca 0.04 -2.10 -0.42 0.00 -0.03 0.00 0.00 54.58 52.07 1rw3 n ASN 107 Cb 0.59 -0.52 -0.03 0.00 -0.61 0.00 0.00 39.78 39.20 1rw3 n ASN 107 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1rw3 s ASP 108 N 0.13 6.34 0.83 6.41 3.68 -1.26 -4.86 116.67 127.93 1rw3 s ASP 108 Ca 0.05 -0.21 -0.08 0.00 2.13 0.00 0.00 52.55 54.43 1rw3 s ASP 108 Cb 0.04 -2.51 0.15 0.00 -1.45 0.00 0.00 42.92 39.15 1rw3 s ASP 108 CO 0.01 -1.48 1.15 -0.31 0.13 0.00 0.00 175.17 174.67 1rw3 s TYR 109 N 4.76 1.72 -0.29 -5.34 4.12 -1.26 0.32 117.35 121.38 1rw3 s TYR 109 Ca 0.36 0.06 -0.18 0.00 0.02 0.00 0.00 57.07 57.34 1rw3 s TYR 109 Cb -0.10 -3.52 0.17 0.00 -1.52 0.00 0.00 41.96 36.99 1rw3 s TYR 109 CO 0.20 -2.11 1.14 0.50 0.02 0.00 0.00 175.55 175.31 1rw3 s ARG 110 N -5.49 0.23 0.24 -0.62 3.52 -1.24 -4.74 118.95 110.84 1rw3 s ARG 110 Ca 0.69 0.37 -0.30 0.00 -0.13 0.00 0.00 55.73 56.36 1rw3 s ARG 110 Cb -0.05 0.06 -0.09 0.00 -1.56 0.00 0.00 34.95 33.31 1rw3 s ARG 110 CO 0.48 -0.04 1.18 -1.25 -0.81 0.00 0.00 175.30 174.85 1rw3 s PRO 111 N 0.97 4.53 -0.18 5.12 0.04 -1.26 -1.66 135.00 142.56 1rw3 s PRO 111 Ca -0.06 1.89 -0.04 0.00 0.04 0.00 0.00 61.00 62.84 1rw3 s PRO 111 Cb -0.03 -3.20 0.08 0.00 0.04 0.00 0.00 34.50 31.39 1rw3 s PRO 111 CO -0.12 0.01 0.20 0.08 0.04 0.00 0.00 177.00 177.21 1rw3 s VAL 112 N -0.60 -0.28 0.64 -0.36 1.01 0.24 -4.93 120.40 116.11 1rw3 s VAL 112 Ca 0.49 -0.05 -0.14 0.00 0.00 0.00 0.00 61.98 62.28 1rw3 s VAL 112 Cb -0.33 -0.61 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 1rw3 s VAL 112 CO 0.40 -0.16 1.06 -1.58 0.00 0.00 0.00 175.10 174.82 1rw3 s GLN 113 N 2.30 3.12 -0.78 2.72 0.74 -1.26 -0.87 119.66 125.62 1rw3 s GLN 113 Ca 0.05 1.13 0.02 0.00 0.05 0.00 0.00 55.36 56.62 1rw3 s GLN 113 Cb -0.15 -2.01 0.31 0.00 1.10 0.00 0.00 33.01 32.26 1rw3 s GLN 113 CO -0.11 -0.96 1.20 -3.47 -0.55 0.00 0.00 175.29 171.40 1rw3 n ASP 114 N -2.46 5.33 -0.17 6.67 4.64 -0.56 -4.89 116.55 125.11 1rw3 n ASP 114 Ca 0.08 -3.59 0.00 0.00 -1.38 0.00 0.00 54.79 49.91 1rw3 n ASP 114 Cb 0.53 -0.85 0.00 0.00 -1.04 0.00 0.00 41.12 39.76 1rw3 n ASP 114 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 1rw3 n LEU 115 N 0.32 0.00 0.00 -2.67 4.77 -1.26 -4.09 117.00 114.07 1rw3 n LEU 115 Ca 0.34 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1rw3 n LEU 115 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1rw3 n LEU 115 CO 0.46 0.00 0.37 0.54 -1.33 0.00 0.00 177.39 177.43 1rw3 n ARG 116 N -0.14 0.00 0.05 3.23 1.74 -1.26 -0.71 116.66 119.57 1rw3 n ARG 116 Ca 0.00 0.44 0.02 0.00 -0.77 0.00 0.00 57.85 57.54 1rw3 n ARG 116 Cb 0.00 -1.23 0.10 0.00 -1.02 0.00 0.00 32.46 30.31 1rw3 n ARG 116 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1rw3 n GLU 117 N -1.50 0.03 -0.09 5.56 -0.58 -1.26 -0.12 120.64 122.68 1rw3 n GLU 117 Ca 0.00 0.35 -0.16 0.00 -0.42 0.00 0.00 57.16 56.93 1rw3 n GLU 117 Cb 0.00 -1.86 -0.09 0.00 -0.57 0.00 0.00 31.44 28.92 1rw3 n GLU 117 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1rw3 h VAL 118 N 0.00 0.76 -0.70 2.62 2.07 -1.71 -3.30 116.25 115.98 1rw3 h VAL 118 Ca 0.00 -1.87 0.20 0.00 0.82 0.00 0.00 66.70 65.85 1rw3 h VAL 118 Cb 0.56 1.73 -0.03 0.00 -1.52 0.00 0.00 31.29 32.03 1rw3 h VAL 118 CO 0.00 0.26 0.51 0.78 0.02 0.00 0.00 177.57 179.14 1rw3 h ASN 119 N -1.00 0.00 -0.26 0.57 4.21 0.17 0.37 115.58 119.65 1rw3 h ASN 119 Ca -0.22 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.28 1rw3 h ASN 119 Cb 1.03 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 38.22 1rw3 h ASN 119 CO -0.13 0.00 0.12 0.11 -1.29 0.00 0.00 177.43 176.24 1rw3 h LYS 120 N 0.00 0.37 -0.17 0.81 1.57 -1.48 -2.97 116.57 114.70 1rw3 h LYS 120 Ca 0.33 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 1rw3 h LYS 120 Cb 1.35 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1rw3 h LYS 120 CO -0.00 0.37 0.00 0.54 -0.57 0.00 0.00 179.45 179.78 1rw3 n ARG 121 N -4.81 1.15 -4.87 3.15 1.74 0.13 -4.82 116.66 108.33 1rw3 n ARG 121 Ca -0.03 -0.21 -0.33 0.00 -0.77 0.00 0.00 57.85 56.52 1rw3 n ARG 121 Cb 0.10 -1.11 -0.14 0.00 -1.02 0.00 0.00 32.46 30.29 1rw3 n ARG 121 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1rw3 s VAL 122 N -1.82 2.93 -0.11 1.55 1.01 -0.96 -2.22 120.40 120.78 1rw3 s VAL 122 Ca 0.04 -0.73 -0.29 0.00 0.00 0.00 0.00 61.98 61.00 1rw3 s VAL 122 Cb 0.02 -2.19 -0.06 0.00 0.00 0.00 0.00 36.38 34.15 1rw3 s VAL 122 CO 0.02 0.55 1.95 -0.70 0.00 0.00 0.00 175.10 176.92 1rw3 s GLU 123 N 0.03 3.74 1.05 2.72 2.56 -1.03 -4.69 118.70 123.08 1rw3 s GLU 123 Ca -0.05 2.18 -0.14 0.00 0.00 0.00 0.00 54.97 56.96 1rw3 s GLU 123 Cb -0.14 -4.19 0.13 0.00 2.00 0.00 0.00 34.13 31.93 1rw3 s GLU 123 CO 0.04 -1.40 0.55 -0.25 -0.56 0.00 0.00 175.26 173.65 1rw3 n ASP 124 N 9.06 -1.67 -4.44 -1.70 9.92 -1.26 -4.87 116.55 121.58 1rw3 n ASP 124 Ca 0.23 0.10 -0.31 0.00 -0.53 0.00 0.00 54.79 54.27 1rw3 n ASP 124 Cb 0.43 -1.19 -0.13 0.00 -0.64 0.00 0.00 41.12 39.59 1rw3 n ASP 124 CO 0.00 0.00 0.00 -0.51 0.13 0.00 0.00 177.20 176.82 1rw3 s ILE 125 N -2.39 2.75 -0.41 0.53 1.10 -1.26 -5.10 121.20 116.42 1rw3 s ILE 125 Ca 0.61 -1.04 -0.24 0.00 -0.51 0.00 0.00 60.65 59.47 1rw3 s ILE 125 Cb -0.20 -2.11 0.02 0.00 0.15 0.00 0.00 42.46 40.33 1rw3 s ILE 125 CO 0.65 0.45 0.84 -2.28 -2.11 0.00 0.00 174.94 172.48 1rw3 s HIS 126 N -0.82 3.02 0.80 3.50 5.65 -1.26 -5.04 115.29 121.15 1rw3 s HIS 126 Ca 0.13 0.42 -0.11 0.00 0.25 0.00 0.00 55.06 55.76 1rw3 s HIS 126 Cb -0.10 -3.65 0.07 0.00 -1.18 0.00 0.00 32.58 27.72 1rw3 s HIS 126 CO 0.03 -0.91 1.10 -2.14 -0.65 0.00 0.00 174.74 172.16 1rw3 s PRO 127 N 3.37 2.02 0.00 2.88 0.02 -1.26 -4.97 135.00 137.06 1rw3 s PRO 127 Ca 0.33 1.16 0.07 0.00 0.02 0.00 0.00 61.00 62.58 1rw3 s PRO 127 Cb -0.12 -1.87 0.11 0.00 0.02 0.00 0.00 34.50 32.64 1rw3 s PRO 127 CO 0.21 -1.81 0.94 0.25 -0.33 0.00 0.00 177.00 176.27 1rw3 n THR 128 N -3.63 0.00 -1.93 0.99 -2.24 -1.26 -5.10 114.28 101.11 1rw3 n THR 128 Ca 0.09 -0.26 -0.43 0.00 -2.27 0.00 0.00 64.05 61.19 1rw3 n THR 128 Cb 0.53 0.53 -0.03 0.00 -2.10 0.00 0.00 70.33 69.26 1rw3 n THR 128 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1rw3 s VAL 129 N 0.00 3.41 -0.95 2.28 -7.23 -1.26 -4.94 120.40 111.71 1rw3 s VAL 129 Ca 0.09 0.44 -0.24 0.00 -1.81 0.00 0.00 61.98 60.46 1rw3 s VAL 129 Cb 0.10 -3.49 -0.00 0.00 0.56 0.00 0.00 36.38 33.55 1rw3 s VAL 129 CO -0.04 -0.27 1.71 -2.16 -0.31 0.00 0.00 175.10 174.03 1rw3 s PRO 130 N 5.43 3.04 0.65 4.82 0.04 -1.26 -4.98 135.00 142.74 1rw3 s PRO 130 Ca 0.82 -0.66 -0.18 0.00 0.04 0.00 0.00 61.00 61.03 1rw3 s PRO 130 Cb -0.27 -5.18 -0.02 0.00 0.04 0.00 0.00 34.50 29.08 1rw3 s PRO 130 CO 0.33 -2.81 1.12 0.09 0.04 0.00 0.00 177.00 175.77 1rw3 n ASN 131 N 11.54 1.31 0.00 6.66 4.13 -1.26 -4.62 115.26 133.02 1rw3 n ASN 131 Ca 0.36 0.79 0.00 0.00 1.68 0.00 0.00 54.58 57.41 1rw3 n ASN 131 Cb 0.49 -1.47 0.00 0.00 -1.54 0.00 0.00 39.78 37.26 1rw3 n ASN 131 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 1rw3 n PRO 132 N -1.62 0.00 0.00 3.52 -0.02 -1.26 -2.53 135.00 133.08 1rw3 n PRO 132 Ca 0.15 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.63 1rw3 n PRO 132 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.96 1rw3 n PRO 132 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 1rw3 n TYR 133 N -0.03 0.00 -0.65 6.00 -0.00 -1.26 0.20 117.16 121.41 1rw3 n TYR 133 Ca 0.00 0.00 0.50 0.00 -0.00 0.00 0.00 57.90 58.40 1rw3 n TYR 133 Cb 0.00 0.00 0.79 0.00 -0.00 0.00 0.00 39.34 40.13 1rw3 n TYR 133 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.86 175.95 1rw3 h ASN 134 N 0.00 0.00 0.00 9.48 2.35 -1.93 1.47 115.58 126.95 1rw3 h ASN 134 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1rw3 h ASN 134 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1rw3 h ASN 134 CO 0.00 0.00 0.00 -0.11 -1.65 0.00 0.00 177.43 175.67 1rw3 n LEU 135 N -3.87 0.01 0.00 1.61 7.94 0.13 -2.59 117.00 120.23 1rw3 n LEU 135 Ca 0.42 0.89 0.11 0.00 -1.11 0.00 0.00 56.01 56.31 1rw3 n LEU 135 Cb 1.94 -0.49 0.54 0.00 0.53 0.00 0.00 43.42 45.94 1rw3 n LEU 135 CO 0.43 -0.49 1.16 -0.07 -1.11 0.00 0.00 177.39 177.31 1rw3 h LEU 136 N 0.00 0.28 0.00 -1.96 3.38 0.28 0.53 115.31 117.81 1rw3 h LEU 136 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rw3 h LEU 136 Cb 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1rw3 h LEU 136 CO 0.00 0.18 0.03 -1.20 0.09 0.00 0.00 178.44 177.54 1rw3 n SER 137 N -4.47 0.00 -1.84 -0.43 7.64 0.47 0.17 113.62 115.16 1rw3 n SER 137 Ca 0.06 0.20 -0.18 0.00 1.01 0.00 0.00 58.87 59.96 1rw3 n SER 137 Cb 0.30 -0.20 0.05 0.00 -1.01 0.00 0.00 64.21 63.35 1rw3 n SER 137 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rw3 n GLY 138 N -1.16 5.96 3.24 0.23 0.00 0.18 -4.22 105.19 109.43 1rw3 n GLY 138 Ca 0.00 -2.37 -0.29 0.00 0.00 0.00 0.00 46.02 43.36 1rw3 n GLY 138 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1rw3 s LEU 139 N -3.52 2.03 0.05 0.99 0.20 0.13 -5.05 118.68 113.50 1rw3 s LEU 139 Ca 0.48 -0.43 -0.23 0.00 0.69 0.00 0.00 54.13 54.63 1rw3 s LEU 139 Cb 0.40 -1.20 -0.06 0.00 -0.43 0.00 0.00 46.19 44.91 1rw3 s LEU 139 CO 0.02 0.25 0.70 -2.16 -0.29 0.00 0.00 176.35 174.87 1rw3 s PRO 140 N -0.33 4.43 0.27 0.98 0.04 -1.26 -4.56 135.00 134.57 1rw3 s PRO 140 Ca 0.03 0.96 0.24 0.00 0.04 0.00 0.00 61.00 62.27 1rw3 s PRO 140 Cb -0.11 -3.33 0.98 0.00 0.04 0.00 0.00 34.50 32.08 1rw3 s PRO 140 CO 0.01 0.39 1.73 -0.35 0.04 0.00 0.00 177.00 178.82 1rw3 n PRO 141 N 2.49 0.22 0.24 0.56 -0.04 -1.26 -2.45 135.00 134.75 1rw3 n PRO 141 Ca -0.05 0.41 0.15 0.00 -0.04 0.00 0.00 63.50 63.97 1rw3 n PRO 141 Cb 0.50 -1.89 0.54 0.00 -0.04 0.00 0.00 33.50 32.61 1rw3 n PRO 141 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1rw3 h SER 142 N 0.00 0.00 -2.78 3.54 4.64 -1.94 -3.35 113.55 113.66 1rw3 h SER 142 Ca 0.00 0.00 -0.78 0.00 -0.47 0.00 0.00 61.79 60.54 1rw3 h SER 142 Cb 0.42 0.00 -0.24 0.00 -0.31 0.00 0.00 62.40 62.27 1rw3 h SER 142 CO 0.00 0.00 0.96 1.41 -0.87 0.00 0.00 176.83 178.33 1rw3 n HIS 143 N -2.93 4.26 1.15 4.77 8.25 -1.02 -4.60 115.22 125.09 1rw3 n HIS 143 Ca 0.02 -3.34 0.12 0.00 -0.26 0.00 0.00 57.72 54.26 1rw3 n HIS 143 Cb 0.35 -1.77 0.62 0.00 1.12 0.00 0.00 29.99 30.32 1rw3 n HIS 143 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1rw3 n GLN 144 N 3.29 0.32 -3.39 -0.41 3.00 -1.18 -4.59 117.38 114.41 1rw3 n GLN 144 Ca 0.30 0.05 -0.42 0.00 -0.01 0.00 0.00 57.00 56.92 1rw3 n GLN 144 Cb 0.38 -1.50 -0.09 0.00 0.00 0.00 0.00 30.24 29.03 1rw3 n GLN 144 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 1rw3 s TRP 145 N -2.62 3.20 0.19 1.08 0.52 -0.84 -4.31 118.94 116.17 1rw3 s TRP 145 Ca 0.23 -0.22 0.07 0.00 0.02 0.00 0.00 56.10 56.19 1rw3 s TRP 145 Cb 0.17 -2.72 -0.04 0.00 -1.15 0.00 0.00 33.47 29.73 1rw3 s TRP 145 CO 0.39 -0.53 0.08 0.71 0.02 0.00 0.00 176.95 177.62 1rw3 s TYR 146 N 1.99 2.99 -0.27 -1.98 2.02 -0.86 -0.73 117.35 120.51 1rw3 s TYR 146 Ca 0.11 -0.10 -0.00 0.00 -0.37 0.00 0.00 57.07 56.71 1rw3 s TYR 146 Cb -0.17 -1.41 0.15 0.00 -0.40 0.00 0.00 41.96 40.12 1rw3 s TYR 146 CO 0.12 0.53 0.38 0.99 -1.57 0.00 0.00 175.55 176.00 1rw3 s THR 147 N -1.86 -0.60 -0.21 -0.71 2.01 0.11 -0.17 115.64 114.20 1rw3 s THR 147 Ca 0.30 -0.21 -0.05 0.00 0.31 0.00 0.00 61.69 62.05 1rw3 s THR 147 Cb -0.09 -0.91 -0.02 0.00 0.01 0.00 0.00 72.50 71.50 1rw3 s THR 147 CO 0.22 -0.22 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.22 1rw3 s VAL 148 N 2.53 3.73 0.29 3.82 1.01 -0.55 0.08 120.40 131.31 1rw3 s VAL 148 Ca 0.11 -0.38 0.10 0.00 0.00 0.00 0.00 61.98 61.81 1rw3 s VAL 148 Cb -0.14 -2.70 -0.06 0.00 0.00 0.00 0.00 36.38 33.49 1rw3 s VAL 148 CO -0.24 0.41 -0.14 -0.76 0.00 0.00 0.00 175.10 174.38 1rw3 s LEU 149 N 1.29 2.62 -0.04 3.92 1.43 -0.81 -2.94 118.68 124.15 1rw3 s LEU 149 Ca 0.04 -1.11 -0.02 0.00 -1.03 0.00 0.00 54.13 52.01 1rw3 s LEU 149 Cb -0.15 -0.96 0.02 0.00 0.03 0.00 0.00 46.19 45.14 1rw3 s LEU 149 CO 0.00 -0.12 0.09 1.51 0.23 0.00 0.00 176.35 178.07 1rw3 s ASP 150 N -3.51 -0.06 0.17 2.29 -4.77 -1.26 -2.26 116.67 107.27 1rw3 s ASP 150 Ca 0.30 0.18 -0.30 0.00 -3.30 0.00 0.00 52.55 49.43 1rw3 s ASP 150 Cb -0.01 0.12 -0.07 0.00 -1.09 0.00 0.00 42.92 41.87 1rw3 s ASP 150 CO 0.14 -0.09 0.97 -0.76 0.70 0.00 0.00 175.17 176.13 1rw3 s LEU 151 N 0.68 4.56 -0.02 2.11 1.43 -0.28 -1.82 118.68 125.34 1rw3 s LEU 151 Ca -0.05 1.90 -0.28 0.00 -1.03 0.00 0.00 54.13 54.67 1rw3 s LEU 151 Cb -0.07 -3.60 -0.03 0.00 0.03 0.00 0.00 46.19 42.51 1rw3 s LEU 151 CO -0.03 0.00 0.89 -0.75 0.23 0.00 0.00 176.35 176.69 1rw3 s LYS 152 N -0.54 4.52 -1.28 1.70 2.47 0.08 -3.92 119.74 122.78 1rw3 s LYS 152 Ca 0.45 1.24 -0.15 0.00 -1.56 0.00 0.00 55.97 55.96 1rw3 s LYS 152 Cb -0.25 -3.45 0.01 0.00 -1.46 0.00 0.00 37.83 32.67 1rw3 s LYS 152 CO 0.31 -0.00 0.58 -0.25 0.16 0.00 0.00 175.35 176.15 1rw3 n ASP 153 N 3.81 -2.84 -0.04 1.43 8.00 -1.26 -4.72 116.55 120.93 1rw3 n ASP 153 Ca 0.03 -1.09 -0.08 0.00 0.71 0.00 0.00 54.79 54.36 1rw3 n ASP 153 Cb 0.51 -2.80 -0.02 0.00 -0.02 0.00 0.00 41.12 38.79 1rw3 n ASP 153 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rw3 h ALA 154 N 0.98 -0.12 0.00 2.24 0.00 -1.93 -2.75 119.26 117.68 1rw3 h ALA 154 Ca -0.66 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.31 1rw3 h ALA 154 Cb 1.38 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 19.65 1rw3 h ALA 154 CO 0.56 -0.66 -0.04 0.74 0.00 0.00 0.00 179.25 179.84 1rw3 h PHE 155 N -0.24 0.00 0.00 0.00 0.05 -1.89 -2.44 116.94 112.42 1rw3 h PHE 155 Ca 0.13 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.92 1rw3 h PHE 155 Cb 0.45 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.40 1rw3 h PHE 155 CO -0.38 0.04 0.00 1.19 -0.18 0.00 0.00 178.31 178.98 1rw3 n PHE 156 N -3.38 0.83 0.36 -0.55 3.72 -1.04 -2.53 117.46 114.88 1rw3 n PHE 156 Ca -0.02 0.28 0.07 0.00 -0.05 0.00 0.00 57.45 57.72 1rw3 n PHE 156 Cb 0.18 -0.95 0.29 0.00 -0.94 0.00 0.00 39.48 38.06 1rw3 n PHE 156 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1rw3 s LEU 158 N -3.31 4.04 -0.00 0.00 1.43 -1.05 -1.44 118.68 118.34 1rw3 s LEU 158 Ca 0.05 0.11 0.01 0.00 -1.03 0.00 0.00 54.13 53.26 1rw3 s LEU 158 Cb 0.07 -2.69 -0.04 0.00 0.03 0.00 0.00 46.19 43.57 1rw3 s LEU 158 CO 0.23 0.17 0.04 -0.13 0.23 0.00 0.00 176.35 176.89 1rw3 s ARG 159 N -2.44 2.92 -0.21 1.70 0.52 -1.26 -1.66 118.95 118.53 1rw3 s ARG 159 Ca 0.32 -0.55 -0.15 0.00 -0.52 0.00 0.00 55.73 54.82 1rw3 s ARG 159 Cb -0.13 -2.76 -0.04 0.00 0.52 0.00 0.00 34.95 32.54 1rw3 s ARG 159 CO 0.25 0.64 0.38 -0.51 0.02 0.00 0.00 175.30 176.07 1rw3 s LEU 160 N -1.65 4.15 0.43 2.53 1.43 0.55 -1.63 118.68 124.48 1rw3 s LEU 160 Ca 0.21 0.48 -0.25 0.00 -1.03 0.00 0.00 54.13 53.54 1rw3 s LEU 160 Cb -0.12 -2.48 -0.08 0.00 0.03 0.00 0.00 46.19 43.54 1rw3 s LEU 160 CO 0.12 -0.07 1.27 -2.28 0.23 0.00 0.00 176.35 175.62 1rw3 s HIS 161 N 1.32 2.79 0.20 0.29 5.65 -0.36 -4.74 115.29 120.44 1rw3 s HIS 161 Ca 0.18 1.45 -0.20 0.00 0.25 0.00 0.00 55.06 56.73 1rw3 s HIS 161 Cb -0.15 -3.60 0.16 0.00 -1.18 0.00 0.00 32.58 27.81 1rw3 s HIS 161 CO 0.08 -1.99 1.56 -1.35 -0.65 0.00 0.00 174.74 172.39 1rw3 h PRO 162 N 2.40 -0.08 -0.62 2.88 0.11 -1.97 -2.02 132.00 132.70 1rw3 h PRO 162 Ca -0.50 0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.73 1rw3 h PRO 162 Cb 1.25 0.02 -0.12 0.00 0.11 0.00 0.00 31.00 32.26 1rw3 h PRO 162 CO 0.61 -0.05 -0.35 1.79 -0.21 0.00 0.00 178.00 179.79 1rw3 h THR 163 N -0.08 0.15 -0.12 -1.15 1.35 -1.95 -0.23 112.91 110.88 1rw3 h THR 163 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.14 1rw3 h THR 163 Cb 0.57 0.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.14 1rw3 h THR 163 CO -0.85 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 173.22 1rw3 n SER 164 N -5.43 1.53 0.11 5.36 7.64 -0.78 -4.09 113.62 117.96 1rw3 n SER 164 Ca 0.04 -2.12 -0.21 0.00 1.01 0.00 0.00 58.87 57.60 1rw3 n SER 164 Cb 0.36 -0.39 -0.15 0.00 -1.01 0.00 0.00 64.21 63.02 1rw3 n SER 164 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1rw3 h GLN 165 N 0.79 0.40 -0.92 1.43 4.20 -0.77 -3.34 115.11 116.90 1rw3 h GLN 165 Ca 0.00 -0.68 0.24 0.00 0.06 0.00 0.00 58.65 58.27 1rw3 h GLN 165 Cb 0.59 0.25 -0.06 0.00 0.30 0.00 0.00 27.48 28.56 1rw3 h GLN 165 CO 0.06 1.31 0.63 -1.35 -0.67 0.00 0.00 178.83 178.82 1rw3 h PRO 166 N 0.11 0.21 -0.73 1.46 0.11 -1.73 -2.40 132.00 129.03 1rw3 h PRO 166 Ca -0.23 -0.01 0.15 0.00 0.11 0.00 0.00 66.00 66.02 1rw3 h PRO 166 Cb 2.08 -0.05 -0.13 0.00 0.11 0.00 0.00 31.00 33.01 1rw3 h PRO 166 CO 0.23 0.14 -0.11 -0.07 -0.21 0.00 0.00 178.00 177.98 1rw3 h LEU 167 N 0.22 -0.55 -2.98 2.35 3.38 -1.87 -1.27 115.31 114.58 1rw3 h LEU 167 Ca 0.47 0.21 -0.26 0.00 0.09 0.00 0.00 57.88 58.39 1rw3 h LEU 167 Cb 1.47 0.41 -0.15 0.00 0.09 0.00 0.00 40.66 42.48 1rw3 h LEU 167 CO -0.11 -0.22 0.32 0.49 0.09 0.00 0.00 178.44 179.01 1rw3 n PHE 168 N -5.43 1.51 -1.39 1.13 3.72 -0.90 -4.58 117.46 111.52 1rw3 n PHE 168 Ca 0.11 -1.17 -0.30 0.00 -0.05 0.00 0.00 57.45 56.04 1rw3 n PHE 168 Cb 0.41 -0.60 0.12 0.00 -0.94 0.00 0.00 39.48 38.47 1rw3 n PHE 168 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1rw3 s ALA 169 N -1.62 1.86 -0.29 4.37 0.00 -0.48 -4.14 121.76 121.47 1rw3 s ALA 169 Ca 0.28 -0.17 -0.25 0.00 0.00 0.00 0.00 51.96 51.81 1rw3 s ALA 169 Cb 0.23 -3.14 0.16 0.00 0.00 0.00 0.00 23.12 20.38 1rw3 s ALA 169 CO 0.05 -2.08 1.28 -0.59 0.00 0.00 0.00 175.76 174.43 1rw3 s PHE 170 N -3.06 -0.21 0.79 0.00 -0.12 0.30 -2.32 117.98 113.35 1rw3 s PHE 170 Ca 0.62 0.51 -0.11 0.00 -0.05 0.00 0.00 56.93 57.91 1rw3 s PHE 170 Cb -0.16 0.44 0.06 0.00 -0.63 0.00 0.00 43.02 42.73 1rw3 s PHE 170 CO 0.55 -0.11 1.08 -1.21 -0.05 0.00 0.00 175.22 175.49 1rw3 s GLU 171 N 0.04 2.18 -0.30 1.99 0.41 -1.26 0.22 118.70 121.98 1rw3 s GLU 171 Ca 0.06 0.90 -0.22 0.00 -0.41 0.00 0.00 54.97 55.29 1rw3 s GLU 171 Cb -0.05 -1.91 0.20 0.00 -1.78 0.00 0.00 34.13 30.59 1rw3 s GLU 171 CO -0.12 -1.62 1.39 -0.46 -0.49 0.00 0.00 175.26 173.96 1rw3 s TRP 172 N -3.01 -0.06 -0.65 1.61 -0.11 0.32 -4.78 118.94 112.26 1rw3 s TRP 172 Ca 0.61 0.14 -0.01 0.00 1.22 0.00 0.00 56.10 58.05 1rw3 s TRP 172 Cb -0.16 0.35 0.16 0.00 -1.50 0.00 0.00 33.47 32.33 1rw3 s TRP 172 CO 0.55 -0.03 0.46 0.50 -4.62 0.00 0.00 176.95 173.81 1rw3 s ARG 173 N 0.33 2.56 0.06 5.86 3.52 -1.26 -2.61 118.95 127.41 1rw3 s ARG 173 Ca 0.03 -2.70 -0.17 0.00 -0.13 0.00 0.00 55.73 52.76 1rw3 s ARG 173 Cb -0.04 -3.68 -0.15 0.00 -1.56 0.00 0.00 34.95 29.52 1rw3 s ARG 173 CO -0.14 -1.18 1.29 0.22 -0.81 0.00 0.00 175.30 174.68 1rw3 h ASP 174 N 6.71 0.67 0.00 -2.12 -0.00 -1.88 -3.19 116.42 116.61 1rw3 h ASP 174 Ca 0.01 -0.59 0.00 0.00 -0.00 0.00 0.00 57.03 56.45 1rw3 h ASP 174 Cb 0.91 -0.19 0.00 0.00 -0.00 0.00 0.00 39.33 40.05 1rw3 h ASP 174 CO 0.72 1.14 0.21 -2.65 -0.00 0.00 0.00 179.24 178.66 1rw3 n PRO 175 N -4.24 0.02 -0.05 0.28 -0.02 -1.26 -4.63 135.00 125.10 1rw3 n PRO 175 Ca -0.07 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1rw3 n PRO 175 Cb 0.57 -1.78 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 1rw3 n PRO 175 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1rw3 n GLU 176 N -1.47 0.00 0.00 -0.52 -0.58 -1.21 -4.60 120.64 112.26 1rw3 n GLU 176 Ca -0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1rw3 n GLU 176 Cb 0.22 -3.22 0.00 0.00 -0.57 0.00 0.00 31.44 27.87 1rw3 n GLU 176 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1rw3 n MET 177 N -2.00 0.00 0.00 3.49 0.00 -1.26 -5.11 117.12 112.24 1rw3 n MET 177 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 1rw3 n MET 177 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 1rw3 n MET 177 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1rw3 n GLY 178 N 0.00 2.79 3.83 3.17 0.00 -1.26 -4.72 105.19 108.99 1rw3 n GLY 178 Ca 0.00 -0.26 -0.22 0.00 0.00 0.00 0.00 46.02 45.54 1rw3 n GLY 178 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rw3 s ILE 179 N 0.00 2.92 -0.38 -0.61 1.01 -1.26 -5.06 121.20 117.81 1rw3 s ILE 179 Ca 0.00 -1.46 0.03 0.00 0.00 0.00 0.00 60.65 59.23 1rw3 s ILE 179 Cb 0.00 -3.05 0.11 0.00 0.01 0.00 0.00 42.46 39.53 1rw3 s ILE 179 CO 0.00 -0.08 0.11 -0.94 0.00 0.00 0.00 174.94 174.03 1rw3 s SER 180 N -4.02 4.75 0.45 3.58 1.04 -1.26 -4.60 113.70 113.64 1rw3 s SER 180 Ca 0.43 -2.30 0.06 0.00 0.48 0.00 0.00 55.95 54.62 1rw3 s SER 180 Cb -0.03 -1.65 0.07 0.00 0.10 0.00 0.00 66.02 64.51 1rw3 s SER 180 CO 0.26 -0.37 0.60 0.61 0.98 0.00 0.00 173.24 175.32 1rw3 n GLY 181 N 4.08 1.80 3.70 7.32 0.00 -1.07 -4.70 105.19 116.31 1rw3 n GLY 181 Ca 0.04 -2.18 -0.28 0.00 0.00 0.00 0.00 46.02 43.60 1rw3 n GLY 181 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1rw3 s GLN 182 N -3.97 2.54 0.40 1.61 -2.07 -1.26 -0.52 119.66 116.39 1rw3 s GLN 182 Ca 0.45 -0.98 0.05 0.00 -1.82 0.00 0.00 55.36 53.06 1rw3 s GLN 182 Cb -0.03 -2.47 -0.07 0.00 -1.09 0.00 0.00 33.01 29.35 1rw3 s GLN 182 CO 0.29 0.49 0.03 -0.51 -1.32 0.00 0.00 175.29 174.26 1rw3 s LEU 183 N -2.77 2.60 0.32 2.60 1.43 0.13 -1.72 118.68 121.28 1rw3 s LEU 183 Ca 0.27 -1.42 -0.08 0.00 -1.03 0.00 0.00 54.13 51.87 1rw3 s LEU 183 Cb -0.10 -0.72 0.01 0.00 0.03 0.00 0.00 46.19 45.41 1rw3 s LEU 183 CO 0.19 -0.56 0.54 0.28 0.23 0.00 0.00 176.35 177.04 1rw3 s THR 184 N -2.90 0.00 0.33 5.49 -1.32 0.12 -0.54 115.64 116.82 1rw3 s THR 184 Ca 0.32 -1.41 0.07 0.00 -1.21 0.00 0.00 61.69 59.45 1rw3 s THR 184 Cb 0.08 -2.55 -0.02 0.00 -1.51 0.00 0.00 72.50 68.50 1rw3 s THR 184 CO 0.16 0.00 0.39 0.26 -2.21 0.00 0.00 174.62 173.21 1rw3 s TRP 185 N -3.19 3.03 0.00 9.09 0.52 -1.26 -0.97 118.94 126.15 1rw3 s TRP 185 Ca 0.25 -0.25 0.00 0.00 0.02 0.00 0.00 56.10 56.12 1rw3 s TRP 185 Cb -0.02 -1.89 0.00 0.00 -1.15 0.00 0.00 33.47 30.41 1rw3 s TRP 185 CO 0.15 0.09 0.14 0.25 0.02 0.00 0.00 176.95 177.60 1rw3 n THR 186 N -1.51 0.00 -4.36 2.01 -2.24 -0.91 -4.83 114.28 102.44 1rw3 n THR 186 Ca -0.01 -0.22 -0.20 0.00 -2.27 0.00 0.00 64.05 61.35 1rw3 n THR 186 Cb 0.59 1.35 -0.10 0.00 -2.10 0.00 0.00 70.33 70.07 1rw3 n THR 186 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1rw3 s ARG 187 N -0.16 1.36 -0.15 -0.78 1.81 -1.26 -0.33 118.95 119.44 1rw3 s ARG 187 Ca 0.00 -1.58 -0.33 0.00 -1.72 0.00 0.00 55.73 52.10 1rw3 s ARG 187 Cb 0.00 -1.24 -0.11 0.00 -0.45 0.00 0.00 34.95 33.16 1rw3 s ARG 187 CO 0.00 0.22 1.98 -0.11 -0.68 0.00 0.00 175.30 176.71 1rw3 n LEU 188 N -0.28 3.23 -4.70 2.53 7.94 -0.66 -4.62 117.00 120.43 1rw3 n LEU 188 Ca -0.09 0.78 -0.30 0.00 -1.11 0.00 0.00 56.01 55.30 1rw3 n LEU 188 Cb 0.60 -1.38 0.21 0.00 0.53 0.00 0.00 43.42 43.38 1rw3 n LEU 188 CO 0.34 -0.24 0.69 -2.84 -1.11 0.00 0.00 177.39 174.24 1rw3 s PRO 189 N 4.74 -0.42 0.13 1.96 0.02 -1.26 -4.08 135.00 136.08 1rw3 s PRO 189 Ca 0.97 -0.07 0.07 0.00 0.02 0.00 0.00 61.00 61.99 1rw3 s PRO 189 Cb -0.67 -1.69 -0.04 0.00 0.02 0.00 0.00 34.50 32.12 1rw3 s PRO 189 CO 0.49 -3.18 -0.07 -0.65 -0.33 0.00 0.00 177.00 173.26 1rw3 s GLN 190 N -5.48 2.21 0.00 5.54 1.11 -1.26 -4.41 119.66 117.37 1rw3 s GLN 190 Ca 0.70 -1.07 0.00 0.00 0.01 0.00 0.00 55.36 55.00 1rw3 s GLN 190 Cb -0.09 -2.31 0.00 0.00 -1.01 0.00 0.00 33.01 29.60 1rw3 s GLN 190 CO 0.55 0.48 0.00 0.41 0.01 0.00 0.00 175.29 176.75 1rw3 n GLY 191 N 0.39 1.22 3.64 3.09 0.00 -1.26 -4.85 105.19 107.42 1rw3 n GLY 191 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 1rw3 n GLY 191 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1rw3 s PHE 192 N -2.34 3.32 0.46 1.61 5.36 -1.26 -4.48 117.98 120.65 1rw3 s PHE 192 Ca 0.00 1.04 0.30 0.00 -0.96 0.00 0.00 56.93 57.31 1rw3 s PHE 192 Cb 0.00 -2.97 1.39 0.00 -0.34 0.00 0.00 43.02 41.10 1rw3 s PHE 192 CO 0.00 -0.34 1.69 1.57 -1.46 0.00 0.00 175.22 176.68 1rw3 h LYS 193 N 7.69 0.15 -0.62 10.12 2.10 -1.95 -1.67 116.57 132.37 1rw3 h LYS 193 Ca -0.25 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.39 1rw3 h LYS 193 Cb 1.11 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.41 1rw3 h LYS 193 CO 0.83 0.10 0.00 0.09 -2.00 0.00 0.00 179.45 178.47 1rw3 n ASN 194 N -4.50 4.16 -0.19 7.07 3.02 -1.26 -4.61 115.26 118.95 1rw3 n ASN 194 Ca 0.32 -2.24 0.01 0.00 -0.03 0.00 0.00 54.58 52.64 1rw3 n ASN 194 Cb 1.29 -0.49 0.26 0.00 -0.61 0.00 0.00 39.78 40.23 1rw3 n ASN 194 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1rw3 h SER 195 N 3.78 0.82 0.47 6.41 0.02 -1.64 -2.21 113.55 121.19 1rw3 h SER 195 Ca 0.00 -0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 60.90 1rw3 h SER 195 Cb 1.17 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.51 1rw3 h SER 195 CO 0.11 0.60 -0.23 -0.65 -1.14 0.00 0.00 176.83 175.52 1rw3 h PRO 196 N 0.96 -0.61 -1.03 3.45 0.11 -1.83 -1.49 132.00 131.56 1rw3 h PRO 196 Ca 0.26 0.04 0.27 0.00 0.11 0.00 0.00 66.00 66.68 1rw3 h PRO 196 Cb -0.10 0.14 -0.12 0.00 0.11 0.00 0.00 31.00 31.03 1rw3 h PRO 196 CO -0.05 -0.41 0.63 1.15 -0.21 0.00 0.00 178.00 179.11 1rw3 h THR 197 N -0.88 0.48 -0.25 -1.15 2.02 -1.89 1.27 112.91 112.49 1rw3 h THR 197 Ca -0.06 -0.16 -0.18 0.00 0.77 0.00 0.00 66.41 66.78 1rw3 h THR 197 Cb 0.48 -0.02 -0.00 0.00 -1.74 0.00 0.00 68.15 66.87 1rw3 h THR 197 CO 0.11 0.08 -0.56 -0.07 0.37 0.00 0.00 175.52 175.45 1rw3 h LEU 198 N 0.46 0.86 0.12 2.58 3.38 -1.41 -1.80 115.31 119.51 1rw3 h LEU 198 Ca 0.65 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1rw3 h LEU 198 Cb 1.45 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1rw3 h LEU 198 CO -0.43 1.24 -0.06 0.15 0.09 0.00 0.00 178.44 179.43 1rw3 h PHE 199 N 0.59 -0.15 -0.61 1.13 3.57 0.60 -2.23 116.94 119.84 1rw3 h PHE 199 Ca 0.01 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.59 1rw3 h PHE 199 Cb 1.14 0.05 -0.11 0.00 2.79 0.00 0.00 35.95 39.82 1rw3 h PHE 199 CO 0.06 0.34 -0.45 0.22 -2.23 0.00 0.00 178.31 176.25 1rw3 h ASP 200 N -0.85 -1.57 -0.54 0.41 3.58 0.14 0.47 116.42 118.06 1rw3 h ASP 200 Ca -0.02 0.25 0.06 0.00 0.42 0.00 0.00 57.03 57.75 1rw3 h ASP 200 Cb 0.55 0.71 -0.05 0.00 1.72 0.00 0.00 39.33 42.26 1rw3 h ASP 200 CO 0.03 -0.33 0.25 -0.08 -2.88 0.00 0.00 179.24 176.22 1rw3 h GLU 201 N -0.22 0.46 0.85 0.28 4.81 -1.42 0.21 114.58 119.54 1rw3 h GLU 201 Ca 0.18 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.34 1rw3 h GLU 201 Cb 0.56 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.84 1rw3 h GLU 201 CO -0.71 0.30 -0.42 0.00 -0.73 0.00 0.00 179.01 177.46 1rw3 h ALA 202 N 1.32 -1.16 0.00 2.92 0.00 -0.25 -1.08 119.26 121.01 1rw3 h ALA 202 Ca 0.25 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1rw3 h ALA 202 Cb 0.20 0.46 -0.00 0.00 0.00 0.00 0.00 17.79 18.45 1rw3 h ALA 202 CO -0.20 -1.15 -0.05 1.25 0.00 0.00 0.00 179.25 179.10 1rw3 h LEU 203 N -1.15 0.00 -0.29 0.00 5.85 -0.09 -1.36 115.31 118.26 1rw3 h LEU 203 Ca -0.12 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 1rw3 h LEU 203 Cb 0.89 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 1rw3 h LEU 203 CO 0.18 0.05 -0.00 -0.74 -0.34 0.00 0.00 178.44 177.59 1rw3 h HIS 204 N 0.00 0.57 0.24 1.25 2.76 -0.03 -2.82 115.15 117.12 1rw3 h HIS 204 Ca -0.00 -0.10 -0.01 0.00 -2.20 0.00 0.00 60.37 58.06 1rw3 h HIS 204 Cb 0.18 -0.15 0.00 0.00 1.55 0.00 0.00 27.41 28.99 1rw3 h HIS 204 CO 0.00 0.66 -0.12 0.00 -1.30 0.00 0.00 177.93 177.18 1rw3 h ARG 205 N 0.31 -0.31 -0.79 5.26 3.08 -0.07 -2.57 114.38 119.28 1rw3 h ARG 205 Ca 0.08 0.02 0.17 0.00 0.07 0.00 0.00 59.98 60.32 1rw3 h ARG 205 Cb 0.44 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.51 1rw3 h ARG 205 CO 0.02 -0.07 0.53 -0.44 -1.07 0.00 0.00 179.97 178.93 1rw3 h ASP 206 N -0.52 0.37 1.28 7.04 3.32 -1.50 -1.49 116.42 124.92 1rw3 h ASP 206 Ca -0.03 0.03 -0.15 0.00 0.02 0.00 0.00 57.03 56.89 1rw3 h ASP 206 Cb 0.39 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 1rw3 h ASP 206 CO 0.05 0.18 -0.71 -0.07 -1.72 0.00 0.00 179.24 176.97 1rw3 h LEU 207 N 0.39 0.00 -0.40 1.55 3.38 -1.39 -3.38 115.31 115.46 1rw3 h LEU 207 Ca 0.39 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.46 1rw3 h LEU 207 Cb 0.96 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.64 1rw3 h LEU 207 CO -0.13 0.71 -0.03 0.00 0.09 0.00 0.00 178.44 179.09 1rw3 n ALA 208 N -2.28 0.16 0.03 1.53 0.00 -0.56 0.55 120.51 119.95 1rw3 n ALA 208 Ca 0.01 0.43 -0.09 0.00 0.00 0.00 0.00 53.44 53.79 1rw3 n ALA 208 Cb 0.82 -0.29 0.05 0.00 0.00 0.00 0.00 19.45 20.03 1rw3 n ALA 208 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1rw3 h ASP 209 N 0.00 0.52 0.17 0.00 5.19 -1.77 -2.22 116.42 118.30 1rw3 h ASP 209 Ca 0.22 -0.31 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 1rw3 h ASP 209 Cb 0.42 -0.15 -0.01 0.00 0.18 0.00 0.00 39.33 39.77 1rw3 h ASP 209 CO -0.38 1.02 -0.16 0.15 -3.12 0.00 0.00 179.24 176.74 1rw3 h PHE 210 N 0.33 -0.42 -0.87 4.55 3.57 -0.16 -0.05 116.94 123.89 1rw3 h PHE 210 Ca -0.01 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.58 1rw3 h PHE 210 Cb 1.18 0.16 -0.06 0.00 2.79 0.00 0.00 35.95 40.03 1rw3 h PHE 210 CO 0.04 -0.25 0.56 0.00 -2.23 0.00 0.00 178.31 176.44 1rw3 h ARG 211 N -0.36 0.84 -0.91 1.11 3.08 -1.48 -1.78 114.38 114.88 1rw3 h ARG 211 Ca 0.00 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.02 1rw3 h ARG 211 Cb 0.33 -0.19 -0.05 0.00 0.08 0.00 0.00 29.97 30.15 1rw3 h ARG 211 CO -0.04 0.56 0.60 0.82 -1.07 0.00 0.00 179.97 180.84 1rw3 h ILE 212 N 0.87 1.21 -0.89 2.04 1.08 -0.51 -2.84 117.51 118.47 1rw3 h ILE 212 Ca 0.40 -0.42 -0.47 0.00 -0.39 0.00 0.00 64.86 63.99 1rw3 h ILE 212 Cb 0.39 -0.11 -0.28 0.00 -3.07 0.00 0.00 36.82 33.75 1rw3 h ILE 212 CO -0.16 0.22 0.53 0.00 -0.69 0.00 0.00 178.15 178.05 1rw3 n GLN 213 N -4.47 2.20 -2.87 2.37 6.02 -0.18 -4.43 117.38 116.02 1rw3 n GLN 213 Ca 0.11 -3.06 -0.12 0.00 -0.01 0.00 0.00 57.00 53.92 1rw3 n GLN 213 Cb 0.04 -2.12 0.05 0.00 1.02 0.00 0.00 30.24 29.22 1rw3 n GLN 213 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1rw3 n HIS 214 N -1.14 -1.97 0.97 1.08 8.25 -0.91 -4.96 115.22 116.54 1rw3 n HIS 214 Ca 0.55 -2.63 0.07 0.00 -0.26 0.00 0.00 57.72 55.46 1rw3 n HIS 214 Cb 1.53 1.00 0.44 0.00 1.12 0.00 0.00 29.99 34.08 1rw3 n HIS 214 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1rw3 n PRO 215 N 0.43 0.49 -0.06 -0.41 -0.04 -1.25 -1.53 135.00 132.63 1rw3 n PRO 215 Ca 0.12 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.57 1rw3 n PRO 215 Cb 0.68 -1.48 -0.15 0.00 -0.04 0.00 0.00 33.50 32.51 1rw3 n PRO 215 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1rw3 n ASP 216 N -0.98 0.36 -4.95 3.54 10.43 -1.26 -4.97 116.55 118.73 1rw3 n ASP 216 Ca 0.11 0.00 -0.23 0.00 2.57 0.00 0.00 54.79 57.24 1rw3 n ASP 216 Cb 0.05 1.38 0.00 0.00 1.84 0.00 0.00 41.12 44.39 1rw3 n ASP 216 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1rw3 s LEU 217 N -4.96 3.80 -0.09 0.64 1.43 -0.58 -4.73 118.68 114.19 1rw3 s LEU 217 Ca -0.08 0.38 0.02 0.00 -1.03 0.00 0.00 54.13 53.41 1rw3 s LEU 217 Cb 0.09 -3.26 0.02 0.00 0.03 0.00 0.00 46.19 43.06 1rw3 s LEU 217 CO 0.80 -0.52 -0.13 -0.63 0.23 0.00 0.00 176.35 176.10 1rw3 s ILE 218 N -2.46 1.28 -0.13 -0.59 -1.09 -1.02 -4.96 121.20 112.23 1rw3 s ILE 218 Ca 0.45 -0.52 0.01 0.00 -2.23 0.00 0.00 60.65 58.36 1rw3 s ILE 218 Cb -0.10 -1.19 -0.01 0.00 -1.58 0.00 0.00 42.46 39.59 1rw3 s ILE 218 CO 0.37 0.40 -0.17 -0.22 -1.23 0.00 0.00 174.94 174.09 1rw3 s LEU 219 N 0.99 2.45 0.11 2.97 1.98 -1.26 -1.80 118.68 124.11 1rw3 s LEU 219 Ca -0.08 -0.44 0.07 0.00 -2.89 0.00 0.00 54.13 50.79 1rw3 s LEU 219 Cb -0.15 -1.53 -0.04 0.00 0.66 0.00 0.00 46.19 45.13 1rw3 s LEU 219 CO -0.01 0.14 -0.07 -0.76 -1.89 0.00 0.00 176.35 173.77 1rw3 s LEU 220 N 0.49 3.17 -0.27 -0.68 1.02 0.29 -4.95 118.68 117.76 1rw3 s LEU 220 Ca -0.12 -0.33 -0.14 0.00 0.02 0.00 0.00 54.13 53.55 1rw3 s LEU 220 Cb -0.16 -1.94 0.08 0.00 0.02 0.00 0.00 46.19 44.19 1rw3 s LEU 220 CO 0.05 0.17 0.65 -1.58 0.02 0.00 0.00 176.35 175.66 1rw3 s GLN 221 N -2.30 0.65 -0.57 1.70 0.74 -1.26 -0.72 119.66 117.91 1rw3 s GLN 221 Ca 0.23 1.19 0.04 0.00 0.05 0.00 0.00 55.36 56.88 1rw3 s GLN 221 Cb -0.11 0.19 0.17 0.00 1.10 0.00 0.00 33.01 34.36 1rw3 s GLN 221 CO 0.15 -0.16 0.42 -0.47 -0.55 0.00 0.00 175.29 174.68 1rw3 s TYR 222 N 1.74 2.41 0.00 1.67 5.04 0.50 -4.88 117.35 123.82 1rw3 s TYR 222 Ca -0.09 -2.86 0.00 0.00 -2.44 0.00 0.00 57.07 51.68 1rw3 s TYR 222 Cb -0.06 -1.88 0.00 0.00 0.35 0.00 0.00 41.96 40.37 1rw3 s TYR 222 CO -0.19 -0.68 0.00 0.28 -1.34 0.00 0.00 175.55 173.62 1rw3 n VAL 223 N 2.40 0.00 1.87 3.14 0.31 -1.26 -2.62 118.33 122.18 1rw3 n VAL 223 Ca 0.24 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.63 1rw3 n VAL 223 Cb 0.41 0.00 0.33 0.00 -0.91 0.00 0.00 33.84 33.67 1rw3 n VAL 223 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 1rw3 n ASP 224 N 7.93 0.00 -4.33 4.52 5.68 -1.26 -4.73 116.55 124.36 1rw3 n ASP 224 Ca 0.00 -1.52 -0.34 0.00 -0.50 0.00 0.00 54.79 52.43 1rw3 n ASP 224 Cb 0.00 0.00 -0.14 0.00 -1.14 0.00 0.00 41.12 39.84 1rw3 n ASP 224 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 1rw3 s ASP 225 N -1.41 4.03 -0.02 -1.12 1.01 -1.08 -1.13 116.67 116.95 1rw3 s ASP 225 Ca 0.17 -0.38 0.00 0.00 0.71 0.00 0.00 52.55 53.05 1rw3 s ASP 225 Cb 0.08 -1.64 0.02 0.00 1.01 0.00 0.00 42.92 42.39 1rw3 s ASP 225 CO 0.13 0.09 0.01 -1.48 0.21 0.00 0.00 175.17 174.13 1rw3 s LEU 226 N 0.82 1.35 -0.14 1.23 0.05 -0.96 0.19 118.68 121.23 1rw3 s LEU 226 Ca -0.04 0.01 -0.03 0.00 0.05 0.00 0.00 54.13 54.12 1rw3 s LEU 226 Cb -0.15 -0.09 -0.03 0.00 -2.05 0.00 0.00 46.19 43.87 1rw3 s LEU 226 CO 0.01 -0.08 -0.03 -0.22 -0.55 0.00 0.00 176.35 175.48 1rw3 s LEU 227 N 0.76 3.35 -0.17 1.48 0.20 0.10 -1.93 118.68 122.47 1rw3 s LEU 227 Ca -0.07 -0.05 0.01 0.00 0.69 0.00 0.00 54.13 54.71 1rw3 s LEU 227 Cb -0.10 -1.79 0.01 0.00 -0.43 0.00 0.00 46.19 43.88 1rw3 s LEU 227 CO -0.02 0.23 -0.19 -0.22 -0.29 0.00 0.00 176.35 175.86 1rw3 s LEU 228 N 0.01 2.22 -0.03 -0.68 1.98 0.11 0.11 118.68 122.40 1rw3 s LEU 228 Ca 0.01 -0.60 0.01 0.00 -2.89 0.00 0.00 54.13 50.67 1rw3 s LEU 228 Cb -0.13 -1.50 0.02 0.00 0.66 0.00 0.00 46.19 45.24 1rw3 s LEU 228 CO 0.02 0.03 -0.03 0.00 -1.89 0.00 0.00 176.35 174.49 1rw3 s ALA 229 N 1.10 0.51 0.18 5.97 0.00 -0.75 0.05 121.76 128.82 1rw3 s ALA 229 Ca 0.00 0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.98 1rw3 s ALA 229 Cb -0.14 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.63 1rw3 s ALA 229 CO -0.07 -0.01 0.01 0.00 0.00 0.00 0.00 175.76 175.68 1rw3 n ALA 230 N 3.96 0.16 -1.56 0.00 0.00 0.09 -2.43 120.51 120.73 1rw3 n ALA 230 Ca -0.25 -0.79 -0.09 0.00 0.00 0.00 0.00 53.44 52.31 1rw3 n ALA 230 Cb 0.51 0.42 0.16 0.00 0.00 0.00 0.00 19.45 20.55 1rw3 n ALA 230 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1rw3 n THR 231 N -0.47 2.61 -3.62 0.00 -2.24 -1.26 -1.98 114.28 107.33 1rw3 n THR 231 Ca -0.07 -3.05 -0.05 0.00 -2.27 0.00 0.00 64.05 58.61 1rw3 n THR 231 Cb 0.22 -0.51 -0.04 0.00 -2.10 0.00 0.00 70.33 67.90 1rw3 n THR 231 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1rw3 s SER 232 N -2.72 -0.16 0.36 3.42 1.04 -1.26 -4.93 113.70 109.46 1rw3 s SER 232 Ca 0.47 0.15 0.04 0.00 0.48 0.00 0.00 55.95 57.09 1rw3 s SER 232 Cb 0.41 0.13 0.66 0.00 0.10 0.00 0.00 66.02 67.33 1rw3 s SER 232 CO -0.00 -0.16 1.97 -0.08 0.98 0.00 0.00 173.24 175.95 1rw3 h GLU 233 N 2.21 0.67 0.00 4.02 4.81 -1.96 -2.75 114.58 121.58 1rw3 h GLU 233 Ca -0.11 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1rw3 h GLU 233 Cb 1.18 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.42 1rw3 h GLU 233 CO 0.25 0.52 0.00 -0.11 -0.73 0.00 0.00 179.01 178.94 1rw3 n LEU 234 N -4.39 0.04 -0.35 1.64 7.94 -1.26 -1.43 117.00 119.19 1rw3 n LEU 234 Ca 0.04 0.88 0.01 0.00 -1.11 0.00 0.00 56.01 55.83 1rw3 n LEU 234 Cb 0.12 -0.43 0.07 0.00 0.53 0.00 0.00 43.42 43.71 1rw3 n LEU 234 CO 0.37 -0.43 0.62 0.44 -1.11 0.00 0.00 177.39 177.28 1rw3 h ASP 235 N 0.00 -1.22 -0.72 1.96 3.45 -1.95 0.61 116.42 118.55 1rw3 h ASP 235 Ca 0.00 0.29 0.11 0.00 0.43 0.00 0.00 57.03 57.86 1rw3 h ASP 235 Cb 0.00 0.68 -0.08 0.00 -0.56 0.00 0.00 39.33 39.37 1rw3 h ASP 235 CO 0.00 -0.30 0.33 0.00 -1.57 0.00 0.00 179.24 177.70 1rw3 h GLN 237 N 0.53 -0.18 -0.34 0.00 4.20 0.14 0.24 115.11 119.69 1rw3 h GLN 237 Ca 0.37 0.01 0.07 0.00 0.06 0.00 0.00 58.65 59.16 1rw3 h GLN 237 Cb 0.46 0.04 -0.09 0.00 0.30 0.00 0.00 27.48 28.20 1rw3 h GLN 237 CO -0.32 -0.12 -0.39 1.96 -0.67 0.00 0.00 178.83 179.30 1rw3 h GLN 238 N -0.19 -0.32 -0.98 1.46 4.20 -1.03 0.18 115.11 118.44 1rw3 h GLN 238 Ca -0.01 0.02 0.28 0.00 0.06 0.00 0.00 58.65 59.00 1rw3 h GLN 238 Cb 0.15 0.07 -0.18 0.00 0.30 0.00 0.00 27.48 27.83 1rw3 h GLN 238 CO 0.01 -0.21 0.08 0.78 -0.67 0.00 0.00 178.83 178.81 1rw3 h GLY 239 N -0.33 1.33 0.80 3.46 0.00 0.20 0.44 103.07 108.97 1rw3 h GLY 239 Ca 0.14 0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.57 1rw3 h GLY 239 CO -0.52 -0.53 0.02 -0.84 0.00 0.00 0.00 176.54 174.67 1rw3 h THR 240 N 0.02 1.22 -0.68 4.70 2.02 0.24 -1.37 112.91 119.06 1rw3 h THR 240 Ca 0.61 -0.68 0.11 0.00 0.77 0.00 0.00 66.41 67.22 1rw3 h THR 240 Cb 1.30 1.44 -0.08 0.00 -1.74 0.00 0.00 68.15 69.06 1rw3 h THR 240 CO -0.89 0.20 0.27 0.03 0.37 0.00 0.00 175.52 175.50 1rw3 h ARG 241 N -0.02 0.43 -0.26 6.66 3.08 0.14 1.00 114.38 125.42 1rw3 h ARG 241 Ca 0.04 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 59.97 1rw3 h ARG 241 Cb 0.29 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1rw3 h ARG 241 CO 0.00 0.29 -0.22 0.00 -1.07 0.00 0.00 179.97 178.97 1rw3 h ALA 242 N 1.47 1.14 0.31 0.04 0.00 -0.65 -1.92 119.26 119.65 1rw3 h ALA 242 Ca 0.35 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1rw3 h ALA 242 Cb 0.47 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1rw3 h ALA 242 CO -0.34 0.54 -0.15 1.25 0.00 0.00 0.00 179.25 180.55 1rw3 h LEU 243 N 0.43 -0.35 -0.67 0.00 5.85 0.21 -1.64 115.31 119.14 1rw3 h LEU 243 Ca 0.07 -0.18 0.12 0.00 0.84 0.00 0.00 57.88 58.73 1rw3 h LEU 243 Cb 0.62 0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.66 1rw3 h LEU 243 CO 0.04 0.02 0.24 -0.07 -0.34 0.00 0.00 178.44 178.34 1rw3 h LEU 244 N -0.77 0.21 0.16 2.25 3.38 -0.90 0.25 115.31 119.90 1rw3 h LEU 244 Ca -0.04 0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1rw3 h LEU 244 Cb 0.51 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1rw3 h LEU 244 CO 0.07 0.11 -0.35 -0.61 0.09 0.00 0.00 178.44 177.74 1rw3 h GLN 245 N 0.40 -0.54 -0.39 1.13 5.75 -1.27 0.11 115.11 120.31 1rw3 h GLN 245 Ca 0.35 0.04 0.06 0.00 -0.15 0.00 0.00 58.65 58.95 1rw3 h GLN 245 Cb 0.49 0.12 -0.05 0.00 1.07 0.00 0.00 27.48 29.11 1rw3 h GLN 245 CO -0.36 -0.36 0.07 1.15 -2.65 0.00 0.00 178.83 176.68 1rw3 h THR 246 N -0.56 0.79 0.22 2.39 2.02 -0.67 0.05 112.91 117.16 1rw3 h THR 246 Ca -0.02 -0.07 0.00 0.00 0.77 0.00 0.00 66.41 67.10 1rw3 h THR 246 Cb 0.53 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.51 1rw3 h THR 246 CO -0.15 0.04 -0.21 -0.07 0.37 0.00 0.00 175.52 175.50 1rw3 h LEU 247 N 0.19 -0.56 -0.56 2.58 3.38 -0.41 -1.80 115.31 118.14 1rw3 h LEU 247 Ca 0.19 0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.32 1rw3 h LEU 247 Cb 0.23 0.19 -0.10 0.00 0.09 0.00 0.00 40.66 41.06 1rw3 h LEU 247 CO -0.25 -0.31 -0.12 1.23 0.09 0.00 0.00 178.44 179.07 1rw3 h GLY 248 N -0.46 0.43 2.00 0.83 0.00 -0.27 0.15 103.07 105.74 1rw3 h GLY 248 Ca -0.00 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.50 1rw3 h GLY 248 CO -0.04 -0.21 0.00 0.70 0.00 0.00 0.00 176.54 176.99 1rw3 n ASN 249 N -5.38 0.55 0.08 0.19 5.03 -0.04 -2.07 115.26 113.62 1rw3 n ASN 249 Ca 0.06 0.68 0.11 0.00 0.87 0.00 0.00 54.58 56.30 1rw3 n ASN 249 Cb 0.30 -0.78 0.01 0.00 -1.02 0.00 0.00 39.78 38.29 1rw3 n ASN 249 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1rw3 n LEU 250 N -2.15 0.74 0.00 3.41 4.77 0.48 -4.82 117.00 119.42 1rw3 n LEU 250 Ca 0.01 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 1rw3 n LEU 250 Cb 0.15 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1rw3 n LEU 250 CO 0.15 -0.13 0.00 0.61 -1.33 0.00 0.00 177.39 176.69 1rw3 n GLY 251 N 1.23 1.38 3.72 -0.72 0.00 -0.88 -0.81 105.19 109.12 1rw3 n GLY 251 Ca 0.00 -0.26 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 1rw3 n GLY 251 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1rw3 n TYR 252 N 0.00 2.05 -4.38 1.61 4.01 -1.17 -2.96 117.16 116.31 1rw3 n TYR 252 Ca 0.00 0.43 -0.21 0.00 -0.16 0.00 0.00 57.90 57.96 1rw3 n TYR 252 Cb 0.00 -2.32 -0.16 0.00 -0.31 0.00 0.00 39.34 36.55 1rw3 n TYR 252 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 1rw3 s ARG 253 N -2.93 1.09 -0.11 -0.72 1.81 -1.26 -3.87 118.95 112.96 1rw3 s ARG 253 Ca 0.74 -0.28 -0.04 0.00 -1.72 0.00 0.00 55.73 54.43 1rw3 s ARG 253 Cb -0.42 -1.00 -0.04 0.00 -0.45 0.00 0.00 34.95 33.05 1rw3 s ARG 253 CO 0.47 0.05 0.05 0.00 -0.68 0.00 0.00 175.30 175.20 1rw3 s ALA 254 N 0.47 3.49 -0.68 2.13 0.00 0.10 -0.74 121.76 126.53 1rw3 s ALA 254 Ca -0.08 -0.74 -0.26 0.00 0.00 0.00 0.00 51.96 50.88 1rw3 s ALA 254 Cb -0.12 -1.69 -0.01 0.00 0.00 0.00 0.00 23.12 21.30 1rw3 s ALA 254 CO 0.01 0.55 1.74 0.45 0.00 0.00 0.00 175.76 178.51 1rw3 s SER 255 N -0.78 5.47 0.08 0.00 0.15 -0.76 -2.31 113.70 115.56 1rw3 s SER 255 Ca 0.12 0.01 -0.26 0.00 0.70 0.00 0.00 55.95 56.53 1rw3 s SER 255 Cb -0.12 -2.54 -0.10 0.00 -1.71 0.00 0.00 66.02 61.55 1rw3 s SER 255 CO 0.03 -2.28 1.42 0.00 1.20 0.00 0.00 173.24 173.60 1rw3 h ALA 256 N 13.41 -0.84 0.00 5.45 0.00 -1.95 -2.89 119.26 132.45 1rw3 h ALA 256 Ca -0.21 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1rw3 h ALA 256 Cb 1.12 0.85 0.00 0.00 0.00 0.00 0.00 17.79 19.76 1rw3 h ALA 256 CO 1.24 -0.96 0.00 1.63 0.00 0.00 0.00 179.25 181.15 1rw3 n LYS 257 N -4.73 0.00 -2.17 0.00 4.76 -1.26 0.04 118.16 114.80 1rw3 n LYS 257 Ca -0.06 0.00 -0.20 0.00 -2.87 0.00 0.00 58.31 55.18 1rw3 n LYS 257 Cb 0.30 0.00 0.02 0.00 -1.84 0.00 0.00 35.03 33.51 1rw3 n LYS 257 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1rw3 n LYS 258 N -3.22 3.30 0.00 1.97 2.85 -1.09 -5.07 118.16 116.90 1rw3 n LYS 258 Ca 0.00 -4.07 0.00 0.00 -1.05 0.00 0.00 58.31 53.19 1rw3 n LYS 258 Cb 0.00 -2.17 0.00 0.00 -0.65 0.00 0.00 35.03 32.21 1rw3 n LYS 258 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1rw3 n ALA 259 N -0.68 0.00 -3.15 0.58 0.00 0.11 -4.87 120.51 112.49 1rw3 n ALA 259 Ca 0.38 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.88 1rw3 n ALA 259 Cb 0.93 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.37 1rw3 n ALA 259 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1rw3 s GLN 260 N 0.00 0.03 -0.13 0.00 -0.21 -1.15 -4.97 119.66 113.23 1rw3 s GLN 260 Ca 0.00 0.05 0.02 0.00 0.02 0.00 0.00 55.36 55.44 1rw3 s GLN 260 Cb 0.00 0.02 0.01 0.00 1.00 0.00 0.00 33.01 34.05 1rw3 s GLN 260 CO 0.00 -0.04 -0.18 0.42 -2.12 0.00 0.00 175.29 173.38 1rw3 s ILE 261 N 2.99 1.74 -1.21 1.08 1.01 -1.26 -1.48 121.20 124.07 1rw3 s ILE 261 Ca -0.00 -0.78 -0.09 0.00 0.00 0.00 0.00 60.65 59.78 1rw3 s ILE 261 Cb -0.06 -1.57 -0.02 0.00 0.01 0.00 0.00 42.46 40.82 1rw3 s ILE 261 CO -0.10 0.49 0.75 0.00 0.00 0.00 0.00 174.94 176.08 1rw3 s GLN 263 N -5.74 3.43 0.26 0.00 -0.21 0.60 -4.81 119.66 113.19 1rw3 s GLN 263 Ca 0.25 -0.61 0.18 0.00 0.02 0.00 0.00 55.36 55.21 1rw3 s GLN 263 Cb -0.07 -2.73 0.95 0.00 1.00 0.00 0.00 33.01 32.16 1rw3 s GLN 263 CO 0.82 0.27 1.56 1.63 -2.12 0.00 0.00 175.29 177.45 1rw3 n LYS 264 N 3.40 0.12 -3.72 2.91 4.76 -1.26 -2.02 118.16 122.35 1rw3 n LYS 264 Ca -0.18 0.58 -0.15 0.00 -2.87 0.00 0.00 58.31 55.69 1rw3 n LYS 264 Cb 0.53 -1.87 -0.15 0.00 -1.84 0.00 0.00 35.03 31.70 1rw3 n LYS 264 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1rw3 s GLN 265 N -3.42 0.05 0.15 1.97 0.74 -1.26 -4.17 119.66 113.73 1rw3 s GLN 265 Ca -0.01 0.42 -0.07 0.00 0.05 0.00 0.00 55.36 55.75 1rw3 s GLN 265 Cb 0.06 -0.24 -0.02 0.00 1.10 0.00 0.00 33.01 33.91 1rw3 s GLN 265 CO 0.20 -0.22 0.22 0.14 -0.55 0.00 0.00 175.29 175.07 1rw3 s VAL 266 N 1.59 0.08 -0.14 1.34 -7.23 -1.22 -4.97 120.40 109.86 1rw3 s VAL 266 Ca -0.04 -1.53 -0.02 0.00 -1.81 0.00 0.00 61.98 58.58 1rw3 s VAL 266 Cb -0.12 -1.89 -0.02 0.00 0.56 0.00 0.00 36.38 34.91 1rw3 s VAL 266 CO -0.05 -0.35 -0.07 -0.54 -0.31 0.00 0.00 175.10 173.77 1rw3 s LYS 267 N -3.99 3.46 -0.03 4.82 1.02 -1.26 -0.70 119.74 123.07 1rw3 s LYS 267 Ca 0.19 -0.57 -0.00 0.00 0.02 0.00 0.00 55.97 55.61 1rw3 s LYS 267 Cb 0.04 -2.79 0.03 0.00 -0.52 0.00 0.00 37.83 34.60 1rw3 s LYS 267 CO 0.00 0.29 0.02 -0.47 -0.92 0.00 0.00 175.35 174.27 1rw3 s TYR 268 N 0.19 0.23 -1.64 3.18 5.04 0.36 -4.85 117.35 119.86 1rw3 s TYR 268 Ca -0.04 0.06 -0.12 0.00 -2.44 0.00 0.00 57.07 54.53 1rw3 s TYR 268 Cb -0.14 -0.40 0.11 0.00 0.35 0.00 0.00 41.96 41.88 1rw3 s TYR 268 CO 0.04 -0.14 0.56 1.28 -1.34 0.00 0.00 175.55 175.94 1rw3 n LEU 269 N 4.37 -1.60 -1.32 6.97 4.32 -1.26 -0.13 117.00 128.35 1rw3 n LEU 269 Ca -0.23 -1.08 -0.10 0.00 -0.02 0.00 0.00 56.01 54.58 1rw3 n LEU 269 Cb 0.50 -1.98 0.01 0.00 -1.62 0.00 0.00 43.42 40.33 1rw3 n LEU 269 CO 0.19 0.32 -0.06 0.61 -1.22 0.00 0.00 177.39 177.24 1rw3 n GLY 270 N -1.66 0.05 2.78 -0.72 0.00 -1.26 -5.00 105.19 99.37 1rw3 n GLY 270 Ca -0.07 -0.42 -0.17 0.00 0.00 0.00 0.00 46.02 45.36 1rw3 n GLY 270 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1rw3 s TYR 271 N -2.66 0.22 0.08 1.61 2.02 0.82 -2.08 117.35 117.37 1rw3 s TYR 271 Ca 0.07 0.07 -0.16 0.00 -0.37 0.00 0.00 57.07 56.68 1rw3 s TYR 271 Cb -0.03 -0.39 -0.07 0.00 -0.40 0.00 0.00 41.96 41.07 1rw3 s TYR 271 CO 0.09 -0.14 0.52 -1.17 -1.57 0.00 0.00 175.55 173.28 1rw3 s LEU 272 N 1.26 4.44 0.15 -1.29 2.96 -1.25 0.14 118.68 125.10 1rw3 s LEU 272 Ca -0.06 1.11 0.06 0.00 -0.22 0.00 0.00 54.13 55.01 1rw3 s LEU 272 Cb -0.13 -2.97 -0.04 0.00 0.50 0.00 0.00 46.19 43.55 1rw3 s LEU 272 CO -0.03 0.22 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.33 1rw3 s LEU 273 N -1.46 2.48 0.00 -0.68 1.43 0.13 -0.94 118.68 119.64 1rw3 s LEU 273 Ca 0.31 -0.92 0.00 0.00 -1.03 0.00 0.00 54.13 52.49 1rw3 s LEU 273 Cb -0.17 -0.55 0.00 0.00 0.03 0.00 0.00 46.19 45.50 1rw3 s LEU 273 CO 0.18 -0.19 0.00 1.17 0.23 0.00 0.00 176.35 177.73 1rw3 n LYS 274 N 0.08 0.00 0.00 1.70 3.00 -1.26 -3.37 118.16 118.31 1rw3 n LYS 274 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.19 1rw3 n LYS 274 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.62 1rw3 n LYS 274 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1rw3 n GLU 275 N -0.80 0.51 -4.34 1.64 0.00 -1.26 -4.70 120.64 111.69 1rw3 n GLU 275 Ca 0.00 -0.00 -0.20 0.00 0.00 0.00 0.00 57.16 56.96 1rw3 n GLU 275 Cb 0.00 -0.04 -0.09 0.00 0.00 0.00 0.00 31.44 31.31 1rw3 n GLU 275 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 1rw3 s GLY 276 N -0.07 2.20 -0.25 -1.84 0.00 -1.26 -3.82 107.32 102.27 1rw3 s GLY 276 Ca 0.00 -1.76 -0.01 0.00 0.00 0.00 0.00 44.72 42.96 1rw3 s GLY 276 CO 0.00 -1.58 -0.08 -0.86 0.00 0.00 0.00 173.10 170.58 1rw3 s GLN 277 N -3.71 2.72 -0.45 2.90 -2.07 -0.03 -4.49 119.66 114.52 1rw3 s GLN 277 Ca 0.35 -1.05 -0.07 0.00 -1.82 0.00 0.00 55.36 52.78 1rw3 s GLN 277 Cb 0.04 -2.95 -0.20 0.00 -1.09 0.00 0.00 33.01 28.81 1rw3 s GLN 277 CO 0.20 -0.43 3.20 -2.13 -1.32 0.00 0.00 175.29 174.81 1rw3 n ARG 278 N 4.62 2.31 0.00 9.60 3.00 -0.12 -4.64 116.66 131.45 1rw3 n ARG 278 Ca -0.16 -1.27 0.00 0.00 -0.00 0.00 0.00 57.85 56.42 1rw3 n ARG 278 Cb 0.46 -2.19 0.00 0.00 0.00 0.00 0.00 32.46 30.73 1rw3 n ARG 278 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.63 174.96 1rw3 n TRP 279 N 2.89 0.00 -3.08 -0.14 4.27 -1.25 -3.67 117.44 116.46 1rw3 n TRP 279 Ca 0.50 0.00 -0.20 0.00 -3.89 0.00 0.00 57.50 53.91 1rw3 n TRP 279 Cb 0.65 0.00 -0.04 0.00 -1.36 0.00 0.00 31.31 30.56 1rw3 n TRP 279 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 1rw3 n LEU 280 N 0.00 -0.60 -2.61 5.67 4.77 -1.26 -4.77 117.00 118.20 1rw3 n LEU 280 Ca 0.00 -4.34 -0.30 0.00 -0.03 0.00 0.00 56.01 51.33 1rw3 n LEU 280 Cb 0.00 0.69 -0.03 0.00 -2.33 0.00 0.00 43.42 41.75 1rw3 n LEU 280 CO 0.00 2.05 0.11 1.07 -1.33 0.00 0.00 177.39 179.29 1rw3 n THR 281 N 1.47 0.78 0.33 -5.08 5.66 -0.88 -4.63 114.28 111.93 1rw3 n THR 281 Ca 0.18 -0.19 0.21 0.00 -3.05 0.00 0.00 64.05 61.20 1rw3 n THR 281 Cb 0.55 0.00 1.13 0.00 -1.55 0.00 0.00 70.33 70.46 1rw3 n THR 281 CO 0.00 0.00 0.00 -0.08 -3.05 0.00 0.00 175.07 171.94 1rw3 h GLU 282 N 0.99 0.00 0.00 1.09 4.57 -1.92 -1.05 114.58 118.26 1rw3 h GLU 282 Ca -0.21 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.97 1rw3 h GLU 282 Cb 0.85 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.44 1rw3 h GLU 282 CO 0.35 0.00 0.20 0.00 -1.18 0.00 0.00 179.01 178.38 1rw3 n ALA 283 N -2.10 0.60 -2.26 2.92 0.00 -1.26 -3.39 120.51 115.01 1rw3 n ALA 283 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.99 1rw3 n ALA 283 Cb 0.10 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 18.96 1rw3 n ALA 283 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rw3 n ARG 284 N -1.28 3.30 -0.19 0.00 5.12 -0.40 -4.61 116.66 118.60 1rw3 n ARG 284 Ca 0.00 -3.26 0.11 0.00 -1.93 0.00 0.00 57.85 52.78 1rw3 n ARG 284 Cb 0.20 -3.12 0.26 0.00 -1.16 0.00 0.00 32.46 28.63 1rw3 n ARG 284 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 1rw3 n LYS 285 N 5.33 2.36 -1.22 5.56 4.81 -1.22 -4.95 118.16 128.84 1rw3 n LYS 285 Ca 0.44 -2.07 -0.58 0.00 -0.87 0.00 0.00 58.31 55.24 1rw3 n LYS 285 Cb 0.39 -1.49 -0.12 0.00 0.02 0.00 0.00 35.03 33.84 1rw3 n LYS 285 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1rw3 n GLU 286 N 1.25 0.00 -3.24 1.64 -0.00 -1.26 -4.78 120.64 114.25 1rw3 n GLU 286 Ca 0.19 0.00 0.04 0.00 -0.00 0.00 0.00 57.16 57.39 1rw3 n GLU 286 Cb 0.54 -1.45 -0.03 0.00 -0.00 0.00 0.00 31.44 30.51 1rw3 n GLU 286 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 1rw3 s THR 287 N 5.71 -0.31 0.35 3.84 2.01 -1.26 -5.13 115.64 120.85 1rw3 s THR 287 Ca 1.15 0.00 0.06 0.00 0.31 0.00 0.00 61.69 63.22 1rw3 s THR 287 Cb -1.45 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 70.04 1rw3 s THR 287 CO 0.64 0.00 0.23 0.52 -0.69 0.00 0.00 174.62 175.32 1rw3 n VAL 288 N 5.07 0.00 -1.53 3.82 0.31 -1.26 -5.12 118.33 119.62 1rw3 n VAL 288 Ca -0.08 -2.36 -0.43 0.00 -0.01 0.00 0.00 64.34 61.46 1rw3 n VAL 288 Cb 0.54 1.07 -0.00 0.00 -0.91 0.00 0.00 33.84 34.54 1rw3 n VAL 288 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1rw3 n MET 289 N -0.71 0.97 0.00 5.55 0.00 -1.26 -4.70 117.12 116.97 1rw3 n MET 289 Ca 0.03 0.35 0.00 0.00 -0.00 0.00 0.00 57.70 58.08 1rw3 n MET 289 Cb 0.59 -1.70 0.00 0.00 0.00 0.00 0.00 33.22 32.11 1rw3 n MET 289 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1rw3 n GLY 290 N 1.46 0.85 0.16 -5.12 0.00 -1.26 -4.89 105.19 96.40 1rw3 n GLY 290 Ca 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 1rw3 n GLY 290 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1rw3 n GLN 291 N 0.66 0.00 -0.81 1.61 7.27 -1.26 -4.85 117.38 120.00 1rw3 n GLN 291 Ca 0.00 0.00 -0.34 0.00 0.07 0.00 0.00 57.00 56.73 1rw3 n GLN 291 Cb 0.20 -0.05 0.11 0.00 2.41 0.00 0.00 30.24 32.91 1rw3 n GLN 291 CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83 1rw3 n PRO 292 N 0.07 -0.50 -0.26 3.69 -0.02 -1.26 -4.27 135.00 132.46 1rw3 n PRO 292 Ca 0.00 -0.12 0.15 0.00 -2.02 0.00 0.00 63.50 61.51 1rw3 n PRO 292 Cb 0.02 -1.65 0.28 0.00 -0.02 0.00 0.00 33.50 32.13 1rw3 n PRO 292 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1rw3 n THR 293 N -3.59 -0.33 -0.27 3.45 -2.24 -1.26 -3.02 114.28 107.03 1rw3 n THR 293 Ca 0.04 1.67 -0.07 0.00 -2.27 0.00 0.00 64.05 63.42 1rw3 n THR 293 Cb 0.57 -2.50 -0.06 0.00 -2.10 0.00 0.00 70.33 66.23 1rw3 n THR 293 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1rw3 n PRO 294 N -5.01 -0.28 0.00 -0.78 -0.02 -1.26 -3.94 135.00 123.72 1rw3 n PRO 294 Ca 0.21 1.19 -0.02 0.00 -2.02 0.00 0.00 63.50 62.85 1rw3 n PRO 294 Cb 0.69 -1.75 -0.01 0.00 -0.02 0.00 0.00 33.50 32.41 1rw3 n PRO 294 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1rw3 n LYS 295 N -4.49 0.12 -0.33 -0.52 5.02 -1.17 -4.06 118.16 112.73 1rw3 n LYS 295 Ca 0.01 0.05 0.01 0.00 -2.02 0.00 0.00 58.31 56.36 1rw3 n LYS 295 Cb 0.16 -0.61 0.07 0.00 -0.02 0.00 0.00 35.03 34.64 1rw3 n LYS 295 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1rw3 h THR 296 N -0.22 0.06 0.70 -0.18 2.02 -1.75 1.55 112.91 115.09 1rw3 h THR 296 Ca 0.00 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.15 1rw3 h THR 296 Cb 0.22 0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 1rw3 h THR 296 CO 0.00 0.00 -0.46 -0.65 0.37 0.00 0.00 175.52 174.78 1rw3 h PRO 297 N -0.02 -1.05 -0.99 6.66 0.11 -1.71 3.37 132.00 138.36 1rw3 h PRO 297 Ca 0.37 0.07 0.15 0.00 0.11 0.00 0.00 66.00 66.70 1rw3 h PRO 297 Cb 0.63 0.24 -0.09 0.00 0.11 0.00 0.00 31.00 31.88 1rw3 h PRO 297 CO -0.93 -0.70 0.62 0.07 -0.21 0.00 0.00 178.00 176.85 1rw3 h ARG 298 N -1.09 0.86 0.02 1.05 -0.00 -1.45 0.78 114.38 114.54 1rw3 h ARG 298 Ca -0.09 -0.05 -0.00 0.00 -0.00 0.00 0.00 59.98 59.83 1rw3 h ARG 298 Cb 0.88 -0.19 0.00 0.00 -0.00 0.00 0.00 29.97 30.66 1rw3 h ARG 298 CO 0.08 0.57 -0.01 0.37 -0.00 0.00 0.00 179.97 180.97 1rw3 h GLN 299 N 0.88 -0.03 -1.34 0.08 5.75 0.27 0.27 115.11 121.00 1rw3 h GLN 299 Ca 0.52 0.00 0.39 0.00 -0.15 0.00 0.00 58.65 59.41 1rw3 h GLN 299 Cb 0.66 0.01 -0.05 0.00 1.07 0.00 0.00 27.48 29.17 1rw3 h GLN 299 CO -0.30 -0.02 1.28 1.25 -2.65 0.00 0.00 178.83 178.39 1rw3 h LEU 300 N -0.09 0.00 0.00 -2.39 6.46 0.63 0.41 115.31 120.33 1rw3 h LEU 300 Ca -0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1rw3 h LEU 300 Cb 0.03 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.96 1rw3 h LEU 300 CO 0.01 0.00 0.00 0.54 -0.62 0.00 0.00 178.44 178.37 1rw3 n ARG 301 N -3.49 0.00 -0.43 1.25 1.74 0.26 -2.13 116.66 113.85 1rw3 n ARG 301 Ca 0.30 0.00 0.35 0.00 -0.77 0.00 0.00 57.85 57.73 1rw3 n ARG 301 Cb 1.68 -0.01 0.56 0.00 -1.02 0.00 0.00 32.46 33.67 1rw3 n ARG 301 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1rw3 n GLU 302 N -0.12 -0.02 0.01 5.56 4.07 0.96 -0.17 120.64 130.94 1rw3 n GLU 302 Ca 0.00 0.90 0.00 0.00 -0.06 0.00 0.00 57.16 58.00 1rw3 n GLU 302 Cb 0.00 -1.89 0.00 0.00 -0.06 0.00 0.00 31.44 29.49 1rw3 n GLU 302 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 1rw3 n PHE 303 N -3.91 -0.13 0.18 4.31 7.35 -1.02 -4.56 117.46 119.68 1rw3 n PHE 303 Ca 0.32 0.02 0.04 0.00 -0.76 0.00 0.00 57.45 57.07 1rw3 n PHE 303 Cb 1.34 0.22 0.18 0.00 0.35 0.00 0.00 39.48 41.56 1rw3 n PHE 303 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 1rw3 n LEU 304 N -2.87 0.10 0.06 -2.13 4.32 0.10 -0.05 117.00 116.53 1rw3 n LEU 304 Ca 0.00 0.54 0.12 0.00 -0.02 0.00 0.00 56.01 56.64 1rw3 n LEU 304 Cb 0.25 -0.54 0.09 0.00 -1.62 0.00 0.00 43.42 41.60 1rw3 n LEU 304 CO 0.00 -0.48 0.16 0.61 -1.22 0.00 0.00 177.39 176.46 1rw3 n GLY 305 N -0.96 -1.35 0.33 -0.72 0.00 0.76 -4.19 105.19 99.05 1rw3 n GLY 305 Ca 0.01 -0.30 -0.12 0.00 0.00 0.00 0.00 46.02 45.61 1rw3 n GLY 305 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1rw3 h THR 306 N 0.00 0.00 -0.18 2.61 2.02 -0.58 -2.93 112.91 113.86 1rw3 h THR 306 Ca 0.00 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.24 1rw3 h THR 306 Cb 0.79 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 1rw3 h THR 306 CO 0.00 0.00 0.04 0.00 0.37 0.00 0.00 175.52 175.93 1rw3 n ALA 307 N -2.53 0.13 -3.61 6.16 0.00 -1.25 -3.48 120.51 115.93 1rw3 n ALA 307 Ca -0.09 0.18 -0.16 0.00 0.00 0.00 0.00 53.44 53.37 1rw3 n ALA 307 Cb 0.31 -0.15 -0.14 0.00 0.00 0.00 0.00 19.45 19.47 1rw3 n ALA 307 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1rw3 s GLY 308 N -3.57 -0.01 -0.72 0.00 0.00 -1.10 -4.98 107.32 96.93 1rw3 s GLY 308 Ca -0.02 0.56 0.04 0.00 0.00 0.00 0.00 44.72 45.30 1rw3 s GLY 308 CO 0.14 1.92 0.52 -0.12 0.00 0.00 0.00 173.10 175.55 1rw3 s PHE 309 N 2.34 3.60 -0.02 1.90 5.36 -1.23 -4.85 117.98 125.08 1rw3 s PHE 309 Ca 0.04 -3.30 -0.22 0.00 -0.96 0.00 0.00 56.93 52.49 1rw3 s PHE 309 Cb -0.13 -2.78 0.04 0.00 -0.34 0.00 0.00 43.02 39.81 1rw3 s PHE 309 CO -0.09 -0.57 0.47 0.00 -1.46 0.00 0.00 175.22 173.57 1rw3 n ARG 311 N 1.03 -1.67 -3.04 0.00 1.85 -1.26 -4.56 116.66 109.01 1rw3 n ARG 311 Ca -0.20 1.57 -0.14 0.00 -1.00 0.00 0.00 57.85 58.08 1rw3 n ARG 311 Cb 0.57 -2.48 -0.04 0.00 -1.05 0.00 0.00 32.46 29.46 1rw3 n ARG 311 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09 1rw3 n LEU 312 N 0.61 -0.37 -4.33 2.89 -0.00 -1.26 -4.69 117.00 109.85 1rw3 n LEU 312 Ca -0.15 -0.51 -0.10 0.00 -0.00 0.00 0.00 56.01 55.25 1rw3 n LEU 312 Cb 0.23 -0.64 -0.09 0.00 -0.00 0.00 0.00 43.42 42.92 1rw3 n LEU 312 CO 0.15 0.13 1.27 1.87 -0.00 0.00 0.00 177.39 180.81 1rw3 n TRP 313 N -2.25 0.39 -3.95 1.47 -0.00 -1.26 -4.84 117.44 106.99 1rw3 n TRP 313 Ca -0.06 -0.04 -0.30 0.00 -0.00 0.00 0.00 57.50 57.09 1rw3 n TRP 313 Cb 0.24 -1.34 -0.14 0.00 -0.00 0.00 0.00 31.31 30.07 1rw3 n TRP 313 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 177.69 178.11 1rw3 s ILE 314 N 6.60 2.53 0.01 5.87 1.01 -1.26 -4.86 121.20 131.09 1rw3 s ILE 314 Ca 0.61 -3.20 -0.25 0.00 0.00 0.00 0.00 60.65 57.81 1rw3 s ILE 314 Cb -0.20 -2.77 -0.15 0.00 0.01 0.00 0.00 42.46 39.34 1rw3 s ILE 314 CO 0.18 -0.78 1.15 -0.65 0.00 0.00 0.00 174.94 174.84 1rw3 h PRO 315 N 6.63 -0.55 -6.05 2.79 0.11 -1.98 -3.48 132.00 129.48 1rw3 h PRO 315 Ca -0.07 0.04 -0.34 0.00 0.11 0.00 0.00 66.00 65.73 1rw3 h PRO 315 Cb 0.91 0.12 0.08 0.00 0.11 0.00 0.00 31.00 32.22 1rw3 h PRO 315 CO 0.67 -0.24 -0.79 0.41 -0.21 0.00 0.00 178.00 177.84 1rw3 n GLY 316 N -0.34 -1.10 0.00 -0.55 0.00 -1.26 -4.75 105.19 97.19 1rw3 n GLY 316 Ca -0.10 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.42 1rw3 n GLY 316 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1rw3 n PHE 317 N -3.47 0.00 0.11 1.61 -0.00 -1.26 -4.86 117.46 109.60 1rw3 n PHE 317 Ca -0.10 0.00 0.07 0.00 -0.00 0.00 0.00 57.45 57.42 1rw3 n PHE 317 Cb 0.59 0.00 0.38 0.00 -0.00 0.00 0.00 39.48 40.45 1rw3 n PHE 317 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1rw3 n ALA 318 N 0.00 1.05 0.33 1.98 0.00 -1.26 -1.32 120.51 121.28 1rw3 n ALA 318 Ca 0.00 0.13 0.09 0.00 0.00 0.00 0.00 53.44 53.66 1rw3 n ALA 318 Cb 0.00 -1.20 0.49 0.00 0.00 0.00 0.00 19.45 18.74 1rw3 n ALA 318 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1rw3 h GLU 319 N 0.00 0.00 0.00 0.00 4.22 -1.99 0.31 114.58 117.12 1rw3 h GLU 319 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1rw3 h GLU 319 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1rw3 h GLU 319 CO 0.00 0.00 0.00 -1.33 -2.18 0.00 0.00 179.01 175.50 1rw3 n MET 320 N -2.72 0.02 0.00 1.92 0.00 -0.44 -4.89 117.12 111.02 1rw3 n MET 320 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.69 1rw3 n MET 320 Cb 0.62 -1.36 0.00 0.00 0.00 0.00 0.00 33.22 32.48 1rw3 n MET 320 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1rw3 n ALA 321 N -0.86 0.00 -3.70 3.04 0.00 0.11 -4.72 120.51 114.38 1rw3 n ALA 321 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.53 1rw3 n ALA 321 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.47 1rw3 n ALA 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rw3 n ALA 322 N 10.08 -2.25 1.71 0.00 0.00 -1.26 -4.70 120.51 124.09 1rw3 n ALA 322 Ca 0.00 -0.72 0.15 0.00 0.00 0.00 0.00 53.44 52.87 1rw3 n ALA 322 Cb 0.00 0.33 0.72 0.00 0.00 0.00 0.00 19.45 20.50 1rw3 n ALA 322 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1rw3 n PRO 323 N -0.59 1.28 -0.14 0.00 -0.04 -1.26 -3.31 135.00 130.93 1rw3 n PRO 323 Ca 0.00 -0.47 0.11 0.00 -0.04 0.00 0.00 63.50 63.10 1rw3 n PRO 323 Cb 0.44 -1.49 0.28 0.00 -0.04 0.00 0.00 33.50 32.69 1rw3 n PRO 323 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1rw3 n LEU 324 N -0.45 2.55 -4.23 1.53 4.77 -1.26 -4.71 117.00 115.20 1rw3 n LEU 324 Ca 0.21 -1.10 -0.43 0.00 -0.03 0.00 0.00 56.01 54.66 1rw3 n LEU 324 Cb 0.24 -0.19 -0.05 0.00 -2.33 0.00 0.00 43.42 41.09 1rw3 n LEU 324 CO 0.18 0.55 0.25 -0.31 -1.33 0.00 0.00 177.39 176.73 1rw3 s TYR 325 N -1.62 3.60 -0.91 -1.77 2.02 -1.21 -5.25 117.35 112.21 1rw3 s TYR 325 Ca 0.35 -2.26 -0.07 0.00 -0.37 0.00 0.00 57.07 54.72 1rw3 s TYR 325 Cb 0.20 -3.56 -0.10 0.00 -0.40 0.00 0.00 41.96 38.09 1rw3 s TYR 325 CO 0.28 -0.93 2.53 -0.35 -1.57 0.00 0.00 175.55 175.52 1rw3 n PRO 326 N 3.83 2.43 0.00 -1.71 -0.04 -1.26 -4.96 135.00 133.28 1rw3 n PRO 326 Ca 0.10 -1.51 0.00 0.00 -0.04 0.00 0.00 63.50 62.06 1rw3 n PRO 326 Cb 0.43 -2.41 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 1rw3 n PRO 326 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1rw3 n ASN 335 N 3.64 0.00 0.00 3.54 3.02 -1.26 -5.28 115.26 118.91 1rw3 n ASN 335 Ca 0.52 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.07 1rw3 n ASN 335 Cb 0.29 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.46 1rw3 n ASN 335 CO 0.00 0.00 0.00 1.87 -2.62 0.00 0.00 177.26 176.51 1rw3 n TRP 336 N 0.00 0.00 0.00 3.10 -0.00 -1.26 -5.09 117.44 114.19 1rw3 n TRP 336 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.50 1rw3 n TRP 336 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.31 1rw3 n TRP 336 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1rw3 n GLY 337 N 0.23 1.93 3.46 5.87 0.00 -1.26 -4.99 105.19 110.43 1rw3 n GLY 337 Ca 0.00 -0.66 -0.13 0.00 0.00 0.00 0.00 46.02 45.23 1rw3 n GLY 337 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rw3 n PRO 338 N 0.00 0.22 -3.69 1.61 -0.04 -1.26 -4.81 135.00 127.02 1rw3 n PRO 338 Ca 0.00 -0.81 -0.14 0.00 -0.04 0.00 0.00 63.50 62.51 1rw3 n PRO 338 Cb 0.00 -2.82 -0.09 0.00 -0.04 0.00 0.00 33.50 30.56 1rw3 n PRO 338 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1rw3 s ASP 339 N 6.30 -0.53 0.00 3.54 1.01 -1.26 -5.12 116.67 120.61 1rw3 s ASP 339 Ca 0.81 0.99 0.00 0.00 0.71 0.00 0.00 52.55 55.06 1rw3 s ASP 339 Cb -0.22 1.01 0.00 0.00 1.01 0.00 0.00 42.92 44.72 1rw3 s ASP 339 CO 0.19 -0.22 0.00 1.67 0.21 0.00 0.00 175.17 177.03 1rw3 n GLN 340 N 2.63 0.00 0.00 8.23 -0.06 -1.26 -4.95 117.38 121.98 1rw3 n GLN 340 Ca -0.14 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.86 1rw3 n GLN 340 Cb 0.56 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.74 1rw3 n GLN 340 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1rw3 n GLN 341 N 0.00 0.00 0.01 3.69 10.64 -1.26 -4.81 117.38 125.65 1rw3 n GLN 341 Ca 0.00 0.00 -0.10 0.00 -1.83 0.00 0.00 57.00 55.07 1rw3 n GLN 341 Cb 0.00 0.00 -0.13 0.00 -0.86 0.00 0.00 30.24 29.25 1rw3 n GLN 341 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.06 175.01 1rw3 h LYS 342 N 0.00 0.04 -1.80 2.61 1.63 -1.99 -3.20 116.57 113.85 1rw3 h LYS 342 Ca 0.00 -0.07 -0.19 0.00 -0.85 0.00 0.00 60.65 59.55 1rw3 h LYS 342 Cb 0.00 0.03 -0.08 0.00 -0.60 0.00 0.00 32.23 31.58 1rw3 h LYS 342 CO 0.00 0.75 0.16 0.00 -3.45 0.00 0.00 179.45 176.91 1rw3 n ALA 343 N -2.52 4.85 -3.14 5.00 0.00 -1.26 -4.22 120.51 119.21 1rw3 n ALA 343 Ca -0.12 -1.06 -0.18 0.00 0.00 0.00 0.00 53.44 52.07 1rw3 n ALA 343 Cb 1.02 -1.36 -0.02 0.00 0.00 0.00 0.00 19.45 19.09 1rw3 n ALA 343 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1rw3 n TYR 344 N 1.07 -0.22 0.12 0.00 9.36 -1.21 -4.21 117.16 122.08 1rw3 n TYR 344 Ca 0.20 -3.60 0.11 0.00 3.32 0.00 0.00 57.90 57.92 1rw3 n TYR 344 Cb 0.57 -0.20 0.22 0.00 -0.63 0.00 0.00 39.34 39.30 1rw3 n TYR 344 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1rw3 n GLN 345 N 0.48 2.46 0.20 2.98 6.02 -1.26 -4.18 117.38 124.07 1rw3 n GLN 345 Ca 0.23 -2.26 0.17 0.00 -0.01 0.00 0.00 57.00 55.13 1rw3 n GLN 345 Cb 0.64 -1.47 0.83 0.00 1.02 0.00 0.00 30.24 31.26 1rw3 n GLN 345 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1rw3 h GLU 346 N 3.99 0.00 0.30 -1.09 4.81 -1.94 0.07 114.58 120.72 1rw3 h GLU 346 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 1rw3 h GLU 346 Cb 0.92 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.31 1rw3 h GLU 346 CO 0.00 0.00 -0.15 0.82 -0.73 0.00 0.00 179.01 178.95 1rw3 h ILE 347 N 0.00 0.00 -1.01 2.32 2.04 -1.98 0.43 117.51 119.31 1rw3 h ILE 347 Ca 0.09 -0.48 0.29 0.00 1.00 0.00 0.00 64.86 65.76 1rw3 h ILE 347 Cb 0.52 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.56 1rw3 h ILE 347 CO -0.00 0.00 1.07 0.50 0.00 0.00 0.00 178.15 179.72 1rw3 h LYS 348 N -0.88 0.00 0.00 2.37 3.64 -1.31 -0.95 116.57 119.44 1rw3 h LYS 348 Ca -0.04 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.30 1rw3 h LYS 348 Cb 0.31 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 1rw3 h LYS 348 CO 0.07 0.00 -1.37 1.04 -2.27 0.00 0.00 179.45 176.92 1rw3 n GLN 349 N -3.45 1.07 0.00 1.90 1.13 -0.40 -4.37 117.38 113.27 1rw3 n GLN 349 Ca 0.22 -0.05 0.07 0.00 -1.94 0.00 0.00 57.00 55.30 1rw3 n GLN 349 Cb 1.38 -1.17 0.30 0.00 0.11 0.00 0.00 30.24 30.86 1rw3 n GLN 349 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1rw3 n ALA 350 N -1.91 1.62 0.75 -1.58 0.00 0.15 -2.86 120.51 116.69 1rw3 n ALA 350 Ca -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1rw3 n ALA 350 Cb 0.35 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1rw3 n ALA 350 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1rw3 n LEU 351 N -1.53 1.66 -0.44 0.00 7.99 -0.91 -3.97 117.00 119.80 1rw3 n LEU 351 Ca 0.03 -0.83 0.00 0.00 -0.01 0.00 0.00 56.01 55.20 1rw3 n LEU 351 Cb 0.16 -0.38 0.00 0.00 -0.11 0.00 0.00 43.42 43.09 1rw3 n LEU 351 CO 0.13 0.30 0.25 0.00 -1.51 0.00 0.00 177.39 176.56 1rw3 n LEU 352 N 0.42 0.78 -0.69 2.23 -0.00 -1.14 -2.31 117.00 116.31 1rw3 n LEU 352 Ca 0.00 -0.39 0.03 0.00 -0.00 0.00 0.00 56.01 55.65 1rw3 n LEU 352 Cb 0.30 -0.39 0.11 0.00 -0.00 0.00 0.00 43.42 43.44 1rw3 n LEU 352 CO 0.00 0.20 0.51 0.35 -0.00 0.00 0.00 177.39 178.44 1rw3 n THR 353 N -0.01 0.59 -2.59 1.47 -2.24 -1.26 -2.01 114.28 108.24 1rw3 n THR 353 Ca 0.00 -0.37 -0.11 0.00 -2.27 0.00 0.00 64.05 61.31 1rw3 n THR 353 Cb 0.20 -0.16 0.03 0.00 -2.10 0.00 0.00 70.33 68.30 1rw3 n THR 353 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rw3 n ALA 354 N 0.18 3.60 -1.83 6.98 0.00 -0.98 -5.09 120.51 123.37 1rw3 n ALA 354 Ca 0.08 -3.26 -0.43 0.00 0.00 0.00 0.00 53.44 49.84 1rw3 n ALA 354 Cb 0.38 -0.74 -0.03 0.00 0.00 0.00 0.00 19.45 19.05 1rw3 n ALA 354 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1rw3 s PRO 355 N -3.55 3.47 0.14 0.00 0.04 -0.85 -4.91 135.00 129.34 1rw3 s PRO 355 Ca 0.34 1.86 -0.32 0.00 0.04 0.00 0.00 61.00 62.93 1rw3 s PRO 355 Cb 0.39 -4.22 -0.18 0.00 0.04 0.00 0.00 34.50 30.52 1rw3 s PRO 355 CO -0.02 -1.71 0.71 0.00 0.04 0.00 0.00 177.00 176.02 1rw3 n ALA 356 N 10.05 -3.06 -0.06 8.56 0.00 -1.26 -4.88 120.51 129.86 1rw3 n ALA 356 Ca 0.24 0.49 0.00 0.00 0.00 0.00 0.00 53.44 54.17 1rw3 n ALA 356 Cb 0.45 -1.67 0.00 0.00 0.00 0.00 0.00 19.45 18.23 1rw3 n ALA 356 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1rw3 n LEU 357 N 1.83 0.05 0.00 0.00 4.32 -1.26 -4.85 117.00 117.10 1rw3 n LEU 357 Ca 0.18 0.82 0.00 0.00 -0.02 0.00 0.00 56.01 57.00 1rw3 n LEU 357 Cb 0.20 -0.47 0.00 0.00 -1.62 0.00 0.00 43.42 41.53 1rw3 n LEU 357 CO 0.58 -0.47 0.00 0.61 -1.22 0.00 0.00 177.39 176.89 1rw3 n GLY 358 N -0.10 0.00 2.39 -0.72 0.00 -1.26 -4.45 105.19 101.04 1rw3 n GLY 358 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 1rw3 n GLY 358 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1rw3 n LEU 359 N 0.00 -3.67 -4.56 0.99 4.32 0.91 -3.92 117.00 111.07 1rw3 n LEU 359 Ca 0.00 -0.36 -0.36 0.00 -0.02 0.00 0.00 56.01 55.27 1rw3 n LEU 359 Cb 0.00 -1.93 -0.04 0.00 -1.62 0.00 0.00 43.42 39.83 1rw3 n LEU 359 CO 0.00 0.10 1.41 -2.16 -1.22 0.00 0.00 177.39 175.52 1rw3 s PRO 360 N -4.06 3.11 -0.81 3.23 0.04 -1.23 -0.85 135.00 134.43 1rw3 s PRO 360 Ca 0.17 -0.57 -0.00 0.00 0.04 0.00 0.00 61.00 60.63 1rw3 s PRO 360 Cb -0.02 -5.01 0.00 0.00 0.04 0.00 0.00 34.50 29.50 1rw3 s PRO 360 CO 0.39 -2.63 0.59 -0.25 0.04 0.00 0.00 177.00 175.14 1rw3 n ASP 361 N 10.95 -4.66 0.00 6.66 9.92 -1.25 -4.47 116.55 133.71 1rw3 n ASP 361 Ca 0.30 -0.97 0.00 0.00 -0.53 0.00 0.00 54.79 53.59 1rw3 n ASP 361 Cb 0.50 -1.55 0.00 0.00 -0.64 0.00 0.00 41.12 39.42 1rw3 n ASP 361 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1rw3 n LEU 362 N -2.62 0.00 0.00 0.64 7.99 -1.26 -4.12 117.00 117.63 1rw3 n LEU 362 Ca -0.32 0.00 -0.25 0.00 -0.01 0.00 0.00 56.01 55.43 1rw3 n LEU 362 Cb 0.68 0.00 0.21 0.00 -0.11 0.00 0.00 43.42 44.20 1rw3 n LEU 362 CO 0.63 0.00 0.52 0.35 -1.51 0.00 0.00 177.39 177.37 1rw3 n THR 363 N -0.07 0.00 0.00 -5.08 -2.24 -1.26 -4.91 114.28 100.72 1rw3 n THR 363 Ca 0.00 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 1rw3 n THR 363 Cb 0.00 -1.20 0.00 0.00 -2.10 0.00 0.00 70.33 67.03 1rw3 n THR 363 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 1rw3 n LYS 364 N -4.33 0.00 0.00 -0.78 0.00 -1.26 -4.69 118.16 107.10 1rw3 n LYS 364 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.44 1rw3 n LYS 364 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.53 1rw3 n LYS 364 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 1rw3 n PRO 365 N 0.00 0.00 -1.16 1.64 -0.02 -1.26 -1.78 135.00 132.42 1rw3 n PRO 365 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.37 1rw3 n PRO 365 Cb 0.00 -0.95 0.14 0.00 -0.02 0.00 0.00 33.50 32.67 1rw3 n PRO 365 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1rw3 n PHE 366 N 0.08 1.54 -3.52 6.00 3.01 -1.26 -4.69 117.46 118.61 1rw3 n PHE 366 Ca 0.00 -1.89 -0.13 0.00 1.01 0.00 0.00 57.45 56.43 1rw3 n PHE 366 Cb 0.00 -0.49 -0.04 0.00 -0.01 0.00 0.00 39.48 38.94 1rw3 n PHE 366 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1rw3 s GLU 367 N -3.40 1.13 0.01 -1.08 2.02 -0.73 -5.15 118.70 111.49 1rw3 s GLU 367 Ca 0.47 -0.31 -0.25 0.00 0.02 0.00 0.00 54.97 54.91 1rw3 s GLU 367 Cb 0.41 0.52 -0.05 0.00 0.10 0.00 0.00 34.13 35.11 1rw3 s GLU 367 CO -0.01 -0.44 0.77 -0.51 0.02 0.00 0.00 175.26 175.09 1rw3 s LEU 368 N -2.24 4.41 0.59 1.80 1.02 -1.26 -4.82 118.68 118.18 1rw3 s LEU 368 Ca -0.03 1.40 -0.06 0.00 0.02 0.00 0.00 54.13 55.46 1rw3 s LEU 368 Cb -0.00 -3.22 0.00 0.00 0.02 0.00 0.00 46.19 42.99 1rw3 s LEU 368 CO -0.05 -0.04 0.91 -0.36 0.02 0.00 0.00 176.35 176.83 1rw3 s PHE 369 N 0.24 3.31 -0.13 0.29 0.08 -1.11 -4.72 117.98 115.95 1rw3 s PHE 369 Ca 0.39 0.73 -0.05 0.00 0.12 0.00 0.00 56.93 58.12 1rw3 s PHE 369 Cb -0.20 -2.71 0.06 0.00 -0.57 0.00 0.00 43.02 39.60 1rw3 s PHE 369 CO 0.22 -0.78 0.26 0.08 -0.10 0.00 0.00 175.22 174.90 1rw3 s VAL 370 N -3.00 -0.38 -0.10 -0.44 1.01 -0.64 -2.71 120.40 114.14 1rw3 s VAL 370 Ca 0.53 0.27 0.01 0.00 0.00 0.00 0.00 61.98 62.79 1rw3 s VAL 370 Cb -0.11 -0.44 0.02 0.00 0.00 0.00 0.00 36.38 35.86 1rw3 s VAL 370 CO 0.46 0.11 -0.10 -1.81 0.00 0.00 0.00 175.10 173.76 1rw3 s ASP 371 N 2.31 2.12 -0.54 3.32 1.11 -0.94 -0.33 116.67 123.72 1rw3 s ASP 371 Ca 0.00 -0.33 -0.22 0.00 0.18 0.00 0.00 52.55 52.18 1rw3 s ASP 371 Cb -0.12 -0.88 0.05 0.00 1.07 0.00 0.00 42.92 43.04 1rw3 s ASP 371 CO -0.09 -0.06 0.84 -1.61 1.18 0.00 0.00 175.17 175.43 1rw3 s GLU 372 N 1.34 3.25 0.34 8.23 0.41 -1.01 -2.71 118.70 128.55 1rw3 s GLU 372 Ca -0.01 -0.49 0.08 0.00 -0.41 0.00 0.00 54.97 54.13 1rw3 s GLU 372 Cb -0.14 -4.07 -0.03 0.00 -1.78 0.00 0.00 34.13 28.11 1rw3 s GLU 372 CO -0.05 -1.41 0.24 0.15 -0.49 0.00 0.00 175.26 173.70 1rw3 s LYS 373 N 3.52 2.60 0.00 1.61 3.01 -0.92 -0.27 119.74 129.29 1rw3 s LYS 373 Ca 0.25 -1.38 0.00 0.00 -1.01 0.00 0.00 55.97 53.83 1rw3 s LYS 373 Cb -0.15 -2.37 0.00 0.00 -1.01 0.00 0.00 37.83 34.30 1rw3 s LYS 373 CO 0.16 0.11 0.00 0.00 0.51 0.00 0.00 175.35 176.13 1rw3 n GLN 374 N -1.29 -2.45 0.00 1.68 -0.00 -1.23 -4.40 117.38 109.69 1rw3 n GLN 374 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.98 1rw3 n GLN 374 Cb 0.60 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.84 1rw3 n GLN 374 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1rw3 n GLY 375 N -1.14 4.73 3.59 2.61 0.00 -1.26 -1.02 105.19 112.70 1rw3 n GLY 375 Ca 0.00 -0.97 -0.32 0.00 0.00 0.00 0.00 46.02 44.73 1rw3 n GLY 375 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1rw3 s TYR 376 N -0.84 2.87 0.00 1.61 6.14 -1.26 -4.60 117.35 121.27 1rw3 s TYR 376 Ca 0.00 -0.05 0.00 0.00 0.64 0.00 0.00 57.07 57.66 1rw3 s TYR 376 Cb 0.00 -1.60 0.00 0.00 0.42 0.00 0.00 41.96 40.78 1rw3 s TYR 376 CO 0.00 0.37 0.00 0.00 0.64 0.00 0.00 175.55 176.56 1rw3 n ALA 377 N 1.55 0.00 -3.59 3.97 0.00 -1.26 -4.78 120.51 116.40 1rw3 n ALA 377 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1rw3 n ALA 377 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 1rw3 n ALA 377 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1rw3 n LYS 378 N 0.00 1.51 -4.68 0.00 4.76 -1.26 -4.83 118.16 113.66 1rw3 n LYS 378 Ca 0.00 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.21 1rw3 n LYS 378 Cb 0.00 0.00 -0.15 0.00 -1.84 0.00 0.00 35.03 33.04 1rw3 n LYS 378 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1rw3 s GLY 379 N -0.87 0.74 0.17 0.72 0.00 -0.10 -4.47 107.32 103.51 1rw3 s GLY 379 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 44.72 44.11 1rw3 s GLY 379 CO 0.00 -0.44 0.00 3.33 0.00 0.00 0.00 173.10 175.99 1rw3 n VAL 380 N 2.86 0.00 0.00 1.40 0.24 -0.18 -0.23 118.33 122.42 1rw3 n VAL 380 Ca -0.15 -0.82 0.00 0.00 -2.04 0.00 0.00 64.34 61.33 1rw3 n VAL 380 Cb 0.54 0.17 0.00 0.00 -1.47 0.00 0.00 33.84 33.08 1rw3 n VAL 380 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 1rw3 n LEU 381 N 0.00 0.00 -4.50 1.34 0.00 0.29 -3.50 117.00 110.63 1rw3 n LEU 381 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 56.01 55.65 1rw3 n LEU 381 Cb 0.22 0.00 -0.11 0.00 0.00 0.00 0.00 43.42 43.53 1rw3 n LEU 381 CO 0.12 0.00 -0.49 -0.89 0.00 0.00 0.00 177.39 176.13 1rw3 s THR 382 N -1.79 2.87 -0.78 1.96 2.01 0.62 -1.34 115.64 119.20 1rw3 s THR 382 Ca 0.00 -1.51 0.03 0.00 0.31 0.00 0.00 61.69 60.51 1rw3 s THR 382 Cb 0.00 -2.33 0.29 0.00 0.01 0.00 0.00 72.50 70.47 1rw3 s THR 382 CO 0.00 0.09 1.07 1.67 -0.69 0.00 0.00 174.62 176.76 1rw3 n GLN 383 N 0.74 3.42 -1.54 4.92 -0.06 -0.96 -2.41 117.38 121.49 1rw3 n GLN 383 Ca -0.15 -4.67 -0.30 0.00 -2.00 0.00 0.00 57.00 49.88 1rw3 n GLN 383 Cb 0.53 -2.34 0.10 0.00 -4.06 0.00 0.00 30.24 24.46 1rw3 n GLN 383 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 1rw3 s LYS 384 N -2.88 1.97 0.00 3.69 3.01 0.55 0.19 119.74 126.26 1rw3 s LYS 384 Ca 0.39 0.61 0.00 0.00 -1.01 0.00 0.00 55.97 55.96 1rw3 s LYS 384 Cb 0.15 -1.91 0.00 0.00 -1.01 0.00 0.00 37.83 35.06 1rw3 s LYS 384 CO -0.01 -1.70 0.00 -0.11 0.51 0.00 0.00 175.35 174.05 1rw3 n LEU 385 N -3.48 0.00 0.00 3.17 0.00 -1.20 -1.62 117.00 113.88 1rw3 n LEU 385 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.08 1rw3 n LEU 385 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.99 1rw3 n LEU 385 CO 0.57 0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.57 1rw3 n GLY 386 N -0.02 -2.55 0.22 -3.96 0.00 -1.26 -0.21 105.19 97.42 1rw3 n GLY 386 Ca 0.00 -1.85 0.11 0.00 0.00 0.00 0.00 46.02 44.27 1rw3 n GLY 386 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rw3 h PRO 387 N 0.00 0.00 0.00 1.61 0.13 -2.02 -3.40 132.00 128.33 1rw3 h PRO 387 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1rw3 h PRO 387 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1rw3 h PRO 387 CO 0.00 0.19 -0.06 1.87 -0.23 0.00 0.00 178.00 179.77 1rw3 n TRP 388 N -3.28 -1.21 0.00 1.56 -0.00 -1.26 -5.08 117.44 108.18 1rw3 n TRP 388 Ca 0.01 0.21 0.00 0.00 -0.00 0.00 0.00 57.50 57.72 1rw3 n TRP 388 Cb 0.46 0.31 0.00 0.00 -0.00 0.00 0.00 31.31 32.07 1rw3 n TRP 388 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 1rw3 n ARG 389 N -3.40 0.00 -3.72 5.87 1.74 -1.23 -5.01 116.66 110.91 1rw3 n ARG 389 Ca 0.00 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.70 1rw3 n ARG 389 Cb 0.03 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.35 1rw3 n ARG 389 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 1rw3 s ARG 390 N 0.00 2.93 0.43 5.56 3.52 0.71 -4.84 118.95 127.25 1rw3 s ARG 390 Ca 0.00 -0.98 -0.23 0.00 -0.13 0.00 0.00 55.73 54.39 1rw3 s ARG 390 Cb 0.00 -3.47 -0.11 0.00 -1.56 0.00 0.00 34.95 29.80 1rw3 s ARG 390 CO 0.00 -0.55 0.78 -2.30 -0.81 0.00 0.00 175.30 172.42 1rw3 n PRO 391 N 4.88 0.92 -0.00 5.12 -0.02 -1.26 -3.20 135.00 141.44 1rw3 n PRO 391 Ca -0.13 0.33 0.01 0.00 -2.02 0.00 0.00 63.50 61.69 1rw3 n PRO 391 Cb 0.47 -1.77 -0.02 0.00 -0.02 0.00 0.00 33.50 32.16 1rw3 n PRO 391 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1rw3 n VAL 392 N -0.73 0.00 0.00 -1.45 0.31 0.51 0.31 118.33 117.28 1rw3 n VAL 392 Ca 0.11 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1rw3 n VAL 392 Cb 0.39 0.48 0.00 0.00 -0.91 0.00 0.00 33.84 33.80 1rw3 n VAL 392 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rw3 n ALA 393 N -1.55 0.00 -2.57 3.52 0.00 -1.25 -4.42 120.51 114.24 1rw3 n ALA 393 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1rw3 n ALA 393 Cb 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.47 1rw3 n ALA 393 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1rw3 s TYR 394 N 0.00 2.89 -0.10 0.00 1.51 -1.26 -2.26 117.35 118.12 1rw3 s TYR 394 Ca 0.00 0.41 -0.06 0.00 -1.01 0.00 0.00 57.07 56.41 1rw3 s TYR 394 Cb 0.00 -4.06 -0.04 0.00 -0.11 0.00 0.00 41.96 37.75 1rw3 s TYR 394 CO 0.00 -1.15 0.13 -0.51 -1.11 0.00 0.00 175.55 172.91 1rw3 s LEU 395 N 3.90 4.32 -0.07 -1.29 1.43 -0.45 -4.43 118.68 122.10 1rw3 s LEU 395 Ca 0.38 0.43 -0.31 0.00 -1.03 0.00 0.00 54.13 53.60 1rw3 s LEU 395 Cb -0.10 -2.11 0.07 0.00 0.03 0.00 0.00 46.19 44.08 1rw3 s LEU 395 CO 0.27 0.39 0.69 -0.94 0.23 0.00 0.00 176.35 176.98 1rw3 s SER 396 N -1.13 -0.66 0.00 2.29 1.04 -1.26 0.11 113.70 114.08 1rw3 s SER 396 Ca 0.16 0.76 0.00 0.00 0.48 0.00 0.00 55.95 57.36 1rw3 s SER 396 Cb -0.12 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.60 1rw3 s SER 396 CO 0.06 -0.58 0.00 0.29 0.98 0.00 0.00 173.24 173.98 1rw3 n LYS 397 N 1.02 0.00 0.00 4.02 4.76 0.69 -4.96 118.16 123.69 1rw3 n LYS 397 Ca -0.19 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.25 1rw3 n LYS 397 Cb 0.57 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.76 1rw3 n LYS 397 CO 0.00 0.00 0.00 0.36 -1.37 0.00 0.00 177.40 176.39 1rw3 n LYS 398 N 0.00 0.00 -0.06 1.97 -0.00 -1.26 -0.92 118.16 117.89 1rw3 n LYS 398 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.32 1rw3 n LYS 398 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1rw3 n LYS 398 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1rw3 n LEU 399 N 0.00 0.00 -3.98 -5.58 4.77 -1.26 -4.79 117.00 106.16 1rw3 n LEU 399 Ca 0.00 0.06 -0.31 0.00 -0.03 0.00 0.00 56.01 55.74 1rw3 n LEU 399 Cb 0.00 -0.40 -0.15 0.00 -2.33 0.00 0.00 43.42 40.54 1rw3 n LEU 399 CO 0.00 -0.19 -0.38 1.51 -1.33 0.00 0.00 177.39 177.00 1rw3 s ASP 400 N -2.84 4.40 0.00 -1.43 3.84 -1.26 -4.74 116.67 114.65 1rw3 s ASP 400 Ca 0.00 -1.70 0.00 0.00 -0.00 0.00 0.00 52.55 50.85 1rw3 s ASP 400 Cb 0.00 -1.42 0.00 0.00 -1.38 0.00 0.00 42.92 40.12 1rw3 s ASP 400 CO 0.00 -0.31 0.00 -2.65 -0.00 0.00 0.00 175.17 172.21 1rw3 n PRO 401 N 4.46 0.00 -0.36 2.11 -0.02 -1.26 -4.14 135.00 135.79 1rw3 n PRO 401 Ca -0.05 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.50 1rw3 n PRO 401 Cb 0.42 0.00 0.23 0.00 -0.02 0.00 0.00 33.50 34.13 1rw3 n PRO 401 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1rw3 n VAL 402 N 0.00 1.02 0.00 -1.45 0.31 -1.26 -4.86 118.33 112.09 1rw3 n VAL 402 Ca 0.00 -0.73 0.00 0.00 -0.01 0.00 0.00 64.34 63.60 1rw3 n VAL 402 Cb 0.00 0.10 0.00 0.00 -0.91 0.00 0.00 33.84 33.03 1rw3 n VAL 402 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rw3 n ALA 403 N 0.74 0.00 0.04 3.52 0.00 -1.26 -4.99 120.51 118.57 1rw3 n ALA 403 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1rw3 n ALA 403 Cb 0.56 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.00 1rw3 n ALA 403 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rw3 n ALA 404 N 0.00 2.24 -0.12 0.00 0.00 -1.26 -4.39 120.51 116.97 1rw3 n ALA 404 Ca 0.00 -0.18 -0.22 0.00 0.00 0.00 0.00 53.44 53.03 1rw3 n ALA 404 Cb 0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 19.45 19.34 1rw3 n ALA 404 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rw3 n GLY 405 N 0.71 -0.49 0.40 0.00 0.00 -1.26 -4.43 105.19 100.11 1rw3 n GLY 405 Ca 0.00 -0.20 -0.04 0.00 0.00 0.00 0.00 46.02 45.78 1rw3 n GLY 405 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1rw3 n TRP 406 N -4.33 -0.13 -1.66 1.61 -0.00 -1.26 -4.28 117.44 107.39 1rw3 n TRP 406 Ca -0.40 1.23 -0.60 0.00 -0.00 0.00 0.00 57.50 57.74 1rw3 n TRP 406 Cb 0.75 -0.77 -0.08 0.00 -0.00 0.00 0.00 31.31 31.21 1rw3 n TRP 406 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 177.69 175.39 1rw3 n PRO 407 N -5.39 0.61 0.00 5.87 -0.02 -1.26 -4.91 135.00 129.90 1rw3 n PRO 407 Ca 0.07 0.22 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1rw3 n PRO 407 Cb 0.35 -1.81 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 1rw3 n PRO 407 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1rw3 n PRO 408 N 3.79 0.00 -0.04 0.52 -0.02 -1.26 -4.67 135.00 133.31 1rw3 n PRO 408 Ca 0.25 0.00 0.03 0.00 -2.02 0.00 0.00 63.50 61.76 1rw3 n PRO 408 Cb 0.08 0.00 0.04 0.00 -0.02 0.00 0.00 33.50 33.60 1rw3 n PRO 408 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rw3 n LEU 410 N -0.71 0.16 0.03 0.00 4.77 -1.26 -4.74 117.00 115.24 1rw3 n LEU 410 Ca 0.05 0.33 0.02 0.00 -0.03 0.00 0.00 56.01 56.37 1rw3 n LEU 410 Cb 0.40 0.17 0.08 0.00 -2.33 0.00 0.00 43.42 41.75 1rw3 n LEU 410 CO 0.00 -0.71 0.56 -1.14 -1.33 0.00 0.00 177.39 174.77 1rw3 n ARG 411 N -3.35 0.02 -0.02 3.23 0.63 -1.26 -2.00 116.66 113.91 1rw3 n ARG 411 Ca 0.00 0.45 -0.01 0.00 -0.92 0.00 0.00 57.85 57.37 1rw3 n ARG 411 Cb 0.03 -1.66 -0.00 0.00 0.45 0.00 0.00 32.46 31.27 1rw3 n ARG 411 CO 0.00 0.00 0.00 1.98 -2.51 0.00 0.00 177.63 177.10 1rw3 h MET 412 N 0.00 -0.05 0.00 -0.14 4.05 -1.83 -2.93 114.93 114.03 1rw3 h MET 412 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1rw3 h MET 412 Cb 0.19 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.00 1rw3 h MET 412 CO 0.00 -0.03 0.21 0.28 0.23 0.00 0.00 176.91 177.60 1rw3 h VAL 413 N -0.82 0.00 0.06 -5.77 2.07 -1.69 0.50 116.25 110.59 1rw3 h VAL 413 Ca -0.01 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.35 1rw3 h VAL 413 Cb 0.04 0.48 0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1rw3 h VAL 413 CO 0.01 0.00 -0.69 0.00 0.02 0.00 0.00 177.57 176.91 1rw3 h ALA 414 N 1.48 0.01 -0.11 1.67 0.00 -1.55 0.68 119.26 121.44 1rw3 h ALA 414 Ca 0.00 -0.62 -0.11 0.00 0.00 0.00 0.00 54.91 54.18 1rw3 h ALA 414 Cb 0.43 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1rw3 h ALA 414 CO 0.00 0.36 -0.41 0.00 0.00 0.00 0.00 179.25 179.21 1rw3 h ALA 415 N 0.23 1.10 0.46 0.00 0.00 0.09 -2.76 119.26 118.38 1rw3 h ALA 415 Ca -0.10 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 1rw3 h ALA 415 Cb 1.44 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1rw3 h ALA 415 CO 0.13 0.59 -0.22 0.82 0.00 0.00 0.00 179.25 180.57 1rw3 h ILE 416 N 0.21 0.15 -0.82 0.00 2.04 -0.94 0.14 117.51 118.28 1rw3 h ILE 416 Ca 0.02 -0.57 0.18 0.00 1.00 0.00 0.00 64.86 65.49 1rw3 h ILE 416 Cb 0.81 0.23 -0.15 0.00 -0.74 0.00 0.00 36.82 36.97 1rw3 h ILE 416 CO 0.06 0.03 -0.12 0.00 0.00 0.00 0.00 178.15 178.13 1rw3 h ALA 417 N -1.01 0.68 0.00 1.87 0.00 -0.87 0.44 119.26 120.37 1rw3 h ALA 417 Ca -0.06 0.30 -0.15 0.00 0.00 0.00 0.00 54.91 55.00 1rw3 h ALA 417 Cb 0.53 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1rw3 h ALA 417 CO 0.10 -0.43 -0.70 0.28 0.00 0.00 0.00 179.25 178.50 1rw3 h VAL 418 N 0.03 1.49 0.13 0.00 2.07 -1.54 -2.45 116.25 115.97 1rw3 h VAL 418 Ca 0.42 -2.43 -0.01 0.00 0.82 0.00 0.00 66.70 65.51 1rw3 h VAL 418 Cb 0.71 2.32 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 1rw3 h VAL 418 CO -0.81 0.69 -0.07 0.25 0.02 0.00 0.00 177.57 177.66 1rw3 h LEU 419 N 0.00 -0.16 0.00 2.57 6.46 0.19 -2.27 115.31 122.11 1rw3 h LEU 419 Ca -0.01 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1rw3 h LEU 419 Cb 1.26 0.04 0.00 0.00 -0.73 0.00 0.00 40.66 41.24 1rw3 h LEU 419 CO 0.09 -0.11 0.00 0.35 -0.62 0.00 0.00 178.44 178.15 1rw3 n THR 420 N -2.53 0.00 0.04 1.05 -2.24 -0.59 -1.84 114.28 108.17 1rw3 n THR 420 Ca -0.02 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.75 1rw3 n THR 420 Cb 0.07 -0.58 -0.08 0.00 -2.10 0.00 0.00 70.33 67.64 1rw3 n THR 420 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1rw3 h LYS 421 N 0.00 0.00 0.17 -0.78 3.64 -1.02 0.11 116.57 118.69 1rw3 h LYS 421 Ca 0.00 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.08 1rw3 h LYS 421 Cb 0.00 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 31.84 1rw3 h LYS 421 CO 0.00 0.38 -1.32 0.22 -2.27 0.00 0.00 179.45 176.45 1rw3 h ASP 422 N 0.00 0.62 -0.22 4.20 -0.00 -0.80 -2.50 116.42 117.72 1rw3 h ASP 422 Ca -0.15 -0.65 -0.21 0.00 -0.00 0.00 0.00 57.03 56.03 1rw3 h ASP 422 Cb 1.61 -0.20 0.01 0.00 -0.00 0.00 0.00 39.33 40.75 1rw3 h ASP 422 CO 0.06 1.50 -0.66 0.00 -0.00 0.00 0.00 179.24 180.14 1rw3 h ALA 423 N 0.41 0.39 -0.38 -0.78 0.00 -1.55 -2.65 119.26 114.71 1rw3 h ALA 423 Ca -0.18 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.15 1rw3 h ALA 423 Cb 2.03 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.75 1rw3 h ALA 423 CO 0.23 0.68 0.14 0.78 0.00 0.00 0.00 179.25 181.09 1rw3 h GLY 424 N 0.63 0.57 1.66 0.00 0.00 -0.83 0.14 103.07 105.24 1rw3 h GLY 424 Ca -0.02 -0.27 0.04 0.00 0.00 0.00 0.00 47.33 47.09 1rw3 h GLY 424 CO 0.14 0.25 0.13 1.70 0.00 0.00 0.00 176.54 178.76 1rw3 h LYS 425 N 0.53 0.00 -0.60 4.80 3.64 -1.08 -1.47 116.57 122.39 1rw3 h LYS 425 Ca 0.13 0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.62 1rw3 h LYS 425 Cb 0.12 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 31.86 1rw3 h LYS 425 CO -0.01 0.00 0.16 -0.07 -2.27 0.00 0.00 179.45 177.26 1rw3 h LEU 426 N 0.00 0.07 -3.57 5.20 3.38 -0.57 0.17 115.31 119.98 1rw3 h LEU 426 Ca 0.07 0.10 -0.28 0.00 0.09 0.00 0.00 57.88 57.86 1rw3 h LEU 426 Cb 0.33 0.13 -0.17 0.00 0.09 0.00 0.00 40.66 41.04 1rw3 h LEU 426 CO -0.00 0.04 0.36 0.35 0.09 0.00 0.00 178.44 179.28 1rw3 n THR 427 N -5.09 2.76 0.00 0.22 -2.24 -0.57 -4.94 114.28 104.42 1rw3 n THR 427 Ca 0.09 -1.52 0.00 0.00 -2.27 0.00 0.00 64.05 60.35 1rw3 n THR 427 Cb 0.31 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.10 1rw3 n THR 427 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65 1rw3 n MET 428 N -0.37 3.58 0.00 -0.78 0.00 0.58 -4.70 117.12 115.43 1rw3 n MET 428 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 57.70 58.12 1rw3 n MET 428 Cb 1.37 0.00 0.00 0.00 0.00 0.00 0.00 33.22 34.59 1rw3 n MET 428 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1rw3 n GLY 429 N 0.00 3.88 0.00 3.17 0.00 -1.26 -4.77 105.19 106.21 1rw3 n GLY 429 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.16 1rw3 n GLY 429 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1rw3 n GLN 430 N 0.00 0.00 -2.12 1.61 1.13 -1.26 -4.90 117.38 111.84 1rw3 n GLN 430 Ca 0.00 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.77 1rw3 n GLN 430 Cb 0.00 0.00 0.02 0.00 0.11 0.00 0.00 30.24 30.37 1rw3 n GLN 430 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1rw3 s PRO 431 N 1.95 3.27 -0.08 -1.09 0.04 -1.26 -4.99 135.00 132.84 1rw3 s PRO 431 Ca 0.00 0.43 -0.08 0.00 0.04 0.00 0.00 61.00 61.38 1rw3 s PRO 431 Cb 0.00 -2.16 0.02 0.00 0.04 0.00 0.00 34.50 32.40 1rw3 s PRO 431 CO 0.00 -0.64 0.23 -0.48 0.04 0.00 0.00 177.00 176.15 1rw3 s LEU 432 N -5.11 1.11 -0.27 -3.56 0.05 -1.26 -2.76 118.68 106.89 1rw3 s LEU 432 Ca 0.54 0.43 -0.13 0.00 0.05 0.00 0.00 54.13 55.02 1rw3 s LEU 432 Cb -0.11 0.82 -0.04 0.00 -2.05 0.00 0.00 46.19 44.81 1rw3 s LEU 432 CO 0.50 -0.11 0.28 -0.69 -0.55 0.00 0.00 176.35 175.78 1rw3 s VAL 433 N -0.00 5.25 0.55 1.48 1.01 -1.10 -4.47 120.40 123.11 1rw3 s VAL 433 Ca -0.01 0.37 -0.13 0.00 0.00 0.00 0.00 61.98 62.21 1rw3 s VAL 433 Cb -0.02 -3.61 -0.06 0.00 0.00 0.00 0.00 36.38 32.69 1rw3 s VAL 433 CO 0.01 0.22 0.98 -0.63 0.00 0.00 0.00 175.10 175.68 1rw3 s ILE 434 N 1.78 4.64 -0.11 2.22 1.09 -0.43 -2.21 121.20 128.17 1rw3 s ILE 434 Ca 0.11 1.00 -0.18 0.00 -1.10 0.00 0.00 60.65 60.48 1rw3 s ILE 434 Cb -0.16 -3.79 0.04 0.00 -1.06 0.00 0.00 42.46 37.50 1rw3 s ILE 434 CO 0.10 -0.86 0.45 -0.54 -0.10 0.00 0.00 174.94 173.98 1rw3 s LYS 435 N -4.52 0.64 0.22 2.79 -0.14 -1.10 -3.15 119.74 114.48 1rw3 s LYS 435 Ca 0.56 0.36 -0.23 0.00 -1.36 0.00 0.00 55.97 55.31 1rw3 s LYS 435 Cb -0.10 0.30 0.04 0.00 -1.68 0.00 0.00 37.83 36.39 1rw3 s LYS 435 CO 0.41 -0.13 0.77 0.00 -0.76 0.00 0.00 175.35 175.64 1rw3 s ALA 436 N -0.37 -1.41 -0.15 5.17 0.00 -1.26 -2.16 121.76 121.58 1rw3 s ALA 436 Ca -0.05 -0.02 0.29 0.00 0.00 0.00 0.00 51.96 52.18 1rw3 s ALA 436 Cb -0.03 0.78 1.22 0.00 0.00 0.00 0.00 23.12 25.09 1rw3 s ALA 436 CO 0.03 -0.99 1.87 -1.35 0.00 0.00 0.00 175.76 175.32 1rw3 h PRO 437 N 2.00 0.00 -6.19 0.00 0.11 -1.57 -0.70 132.00 125.65 1rw3 h PRO 437 Ca -0.22 0.00 -0.62 0.00 0.11 0.00 0.00 66.00 65.27 1rw3 h PRO 437 Cb 1.25 0.00 -0.28 0.00 0.11 0.00 0.00 31.00 32.08 1rw3 h PRO 437 CO 0.26 0.00 -0.86 -1.01 -0.21 0.00 0.00 178.00 176.18 1rw3 s HIS 438 N -3.52 1.94 -0.48 0.65 3.76 -1.26 -4.72 115.29 111.65 1rw3 s HIS 438 Ca 0.02 -0.37 -0.02 0.00 -0.15 0.00 0.00 55.06 54.53 1rw3 s HIS 438 Cb 0.09 -1.21 0.21 0.00 1.11 0.00 0.00 32.58 32.78 1rw3 s HIS 438 CO 0.47 0.03 2.31 0.00 -0.85 0.00 0.00 174.74 176.70 1rw3 n ALA 439 N 2.20 5.98 -1.64 -1.40 0.00 -1.26 -4.67 120.51 119.71 1rw3 n ALA 439 Ca -0.16 -2.75 -0.45 0.00 0.00 0.00 0.00 53.44 50.08 1rw3 n ALA 439 Cb 0.53 -1.80 -0.02 0.00 0.00 0.00 0.00 19.45 18.15 1rw3 n ALA 439 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1rw3 n VAL 440 N 0.25 1.40 0.00 0.00 3.14 -1.26 -4.28 118.33 117.57 1rw3 n VAL 440 Ca 0.45 -0.35 0.00 0.00 -2.96 0.00 0.00 64.34 61.48 1rw3 n VAL 440 Cb 0.54 -1.29 0.00 0.00 -1.06 0.00 0.00 33.84 32.03 1rw3 n VAL 440 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 1rw3 n GLU 441 N 1.38 0.00 0.26 1.45 2.13 -1.26 -4.48 120.64 120.11 1rw3 n GLU 441 Ca 0.10 0.00 0.10 0.00 0.66 0.00 0.00 57.16 58.02 1rw3 n GLU 441 Cb 0.31 0.00 0.69 0.00 0.27 0.00 0.00 31.44 32.71 1rw3 n GLU 441 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1rw3 h ALA 442 N 0.00 1.65 -0.12 4.31 0.00 -2.02 0.57 119.26 123.65 1rw3 h ALA 442 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1rw3 h ALA 442 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1rw3 h ALA 442 CO 0.00 0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.63 1rw3 n LEU 443 N -4.13 1.51 -4.25 0.00 7.99 -1.26 -4.45 117.00 112.42 1rw3 n LEU 443 Ca -0.03 -0.76 -0.33 0.00 -0.01 0.00 0.00 56.01 54.89 1rw3 n LEU 443 Cb 0.16 -0.38 -0.16 0.00 -0.11 0.00 0.00 43.42 42.93 1rw3 n LEU 443 CO 0.32 0.28 -0.51 -0.69 -1.51 0.00 0.00 177.39 175.28 1rw3 s VAL 444 N -1.50 2.42 -0.78 4.08 1.01 0.20 -4.39 120.40 121.44 1rw3 s VAL 444 Ca 0.10 -0.87 -0.02 0.00 0.00 0.00 0.00 61.98 61.20 1rw3 s VAL 444 Cb 0.07 -1.99 0.00 0.00 0.00 0.00 0.00 36.38 34.46 1rw3 s VAL 444 CO 0.04 0.54 0.21 0.29 0.00 0.00 0.00 175.10 176.18 1rw3 n LYS 445 N 3.85 -1.90 0.00 2.72 4.76 -1.26 -4.91 118.16 121.41 1rw3 n LYS 445 Ca -0.19 0.45 0.00 0.00 -2.87 0.00 0.00 58.31 55.70 1rw3 n LYS 445 Cb 0.52 -4.38 0.00 0.00 -1.84 0.00 0.00 35.03 29.33 1rw3 n LYS 445 CO 0.00 0.00 0.00 1.04 -1.37 0.00 0.00 177.40 177.07 1rw3 n GLN 446 N -2.21 0.00 0.00 1.97 6.02 -1.26 -4.87 117.38 117.03 1rw3 n GLN 446 Ca -0.07 0.00 0.02 0.00 -0.01 0.00 0.00 57.00 56.94 1rw3 n GLN 446 Cb 0.57 0.00 0.38 0.00 1.02 0.00 0.00 30.24 32.20 1rw3 n GLN 446 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1rw3 h PRO 447 N 0.00 0.53 0.00 -1.09 0.11 -1.84 -1.98 132.00 127.73 1rw3 h PRO 447 Ca 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 66.05 1rw3 h PRO 447 Cb 0.00 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.01 1rw3 h PRO 447 CO 0.00 0.43 0.00 -2.30 -0.21 0.00 0.00 178.00 175.92 1rw3 n PRO 448 N -4.40 0.39 -0.09 1.05 -0.02 -1.26 -4.16 135.00 126.51 1rw3 n PRO 448 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.50 1rw3 n PRO 448 Cb 0.13 -1.07 0.00 0.00 -0.02 0.00 0.00 33.50 32.54 1rw3 n PRO 448 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1rw3 n ASP 449 N -0.57 1.72 0.00 2.55 9.92 -0.75 -3.22 116.55 126.20 1rw3 n ASP 449 Ca 0.01 -1.18 0.00 0.00 -0.53 0.00 0.00 54.79 53.10 1rw3 n ASP 449 Cb 0.01 -0.33 0.00 0.00 -0.64 0.00 0.00 41.12 40.16 1rw3 n ASP 449 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 1rw3 n ARG 450 N 1.20 0.00 0.00 -1.24 3.00 -1.26 -5.04 116.66 113.32 1rw3 n ARG 450 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.84 1rw3 n ARG 450 Cb 0.22 -0.32 0.00 0.00 0.00 0.00 0.00 32.46 32.36 1rw3 n ARG 450 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.63 174.96 1rw3 n TRP 451 N -1.69 0.00 -3.10 -1.55 -0.00 -1.20 -5.07 117.44 104.84 1rw3 n TRP 451 Ca 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 57.50 57.11 1rw3 n TRP 451 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 31.31 31.26 1rw3 n TRP 451 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 177.69 177.18 1rw3 s LEU 452 N -1.73 4.30 -0.73 5.67 2.01 -1.23 -5.00 118.68 121.98 1rw3 s LEU 452 Ca 0.00 1.10 0.04 0.00 0.01 0.00 0.00 54.13 55.28 1rw3 s LEU 452 Cb 0.00 -3.01 0.28 0.00 0.01 0.00 0.00 46.19 43.47 1rw3 s LEU 452 CO 0.00 -0.11 0.98 -1.54 1.01 0.00 0.00 176.35 176.69 1rw3 n SER 453 N 3.85 4.58 -4.01 2.29 3.41 -1.26 -4.83 113.62 117.64 1rw3 n SER 453 Ca -0.02 -3.50 -0.43 0.00 -0.26 0.00 0.00 58.87 54.66 1rw3 n SER 453 Cb 0.51 -0.79 0.01 0.00 -0.26 0.00 0.00 64.21 63.68 1rw3 n SER 453 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1rw3 n ASN 454 N 0.69 6.03 0.00 4.04 4.13 -1.26 -4.99 115.26 123.89 1rw3 n ASN 454 Ca 0.30 -3.30 0.00 0.00 1.68 0.00 0.00 54.58 53.26 1rw3 n ASN 454 Cb 0.38 -1.34 0.00 0.00 -1.54 0.00 0.00 39.78 37.29 1rw3 n ASN 454 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1rw3 n ALA 455 N 2.12 0.00 -1.69 5.41 0.00 -1.26 -4.97 120.51 120.12 1rw3 n ALA 455 Ca 0.29 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.73 1rw3 n ALA 455 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 1rw3 n ALA 455 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1rw3 n ARG 456 N 0.00 -0.54 -0.02 0.00 5.12 -1.26 -5.03 116.66 114.92 1rw3 n ARG 456 Ca 0.00 0.86 -0.15 0.00 -1.93 0.00 0.00 57.85 56.62 1rw3 n ARG 456 Cb 0.00 -1.72 -0.11 0.00 -1.16 0.00 0.00 32.46 29.47 1rw3 n ARG 456 CO 0.00 0.00 0.00 1.98 -1.93 0.00 0.00 177.63 177.68 1rw3 h MET 457 N 0.47 0.25 0.00 5.56 1.85 -2.06 -3.49 114.93 117.51 1rw3 h MET 457 Ca 0.00 -0.24 0.00 0.00 -0.61 0.00 0.00 59.70 58.85 1rw3 h MET 457 Cb 0.01 0.06 0.00 0.00 0.43 0.00 0.00 31.60 32.10 1rw3 h MET 457 CO 0.02 0.94 0.00 2.41 -0.40 0.00 0.00 176.91 179.88 1rw3 n THR 458 N -4.44 0.00 -2.27 -0.77 -1.04 -1.26 -5.12 114.28 99.38 1rw3 n THR 458 Ca -0.10 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.88 1rw3 n THR 458 Cb 0.53 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.01 1rw3 n THR 458 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1rw3 n HIS 459 N 0.00 -3.08 -1.63 -1.42 -0.00 -1.26 -4.81 115.22 103.01 1rw3 n HIS 459 Ca 0.00 1.74 -0.55 0.00 -0.00 0.00 0.00 57.72 58.91 1rw3 n HIS 459 Cb 0.00 -3.20 -0.07 0.00 -0.00 0.00 0.00 29.99 26.72 1rw3 n HIS 459 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1rw3 n TYR 460 N 1.08 1.64 -0.47 4.41 4.01 -1.26 -4.61 117.16 121.95 1rw3 n TYR 460 Ca -0.25 0.64 -0.03 0.00 -0.16 0.00 0.00 57.90 58.10 1rw3 n TYR 460 Cb 0.39 -2.36 0.03 0.00 -0.31 0.00 0.00 39.34 37.09 1rw3 n TYR 460 CO 0.00 0.00 0.00 1.04 -0.46 0.00 0.00 176.86 177.44 1rw3 n GLN 461 N 3.43 -1.38 -1.53 -0.72 1.13 -1.26 -1.32 117.38 115.74 1rw3 n GLN 461 Ca 0.21 -0.17 -0.19 0.00 -1.94 0.00 0.00 57.00 54.92 1rw3 n GLN 461 Cb 0.16 -0.17 -0.14 0.00 0.11 0.00 0.00 30.24 30.21 1rw3 n GLN 461 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1rw3 n ALA 462 N -3.20 0.68 -0.31 -1.58 0.00 -1.19 -4.45 120.51 110.47 1rw3 n ALA 462 Ca -0.02 -1.11 -0.00 0.00 0.00 0.00 0.00 53.44 52.31 1rw3 n ALA 462 Cb 0.06 -2.89 -0.00 0.00 0.00 0.00 0.00 19.45 16.62 1rw3 n ALA 462 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1rw3 n LEU 463 N 12.99 3.30 -1.69 0.00 4.77 -1.25 -4.44 117.00 130.68 1rw3 n LEU 463 Ca 0.56 -1.49 0.00 0.00 -0.03 0.00 0.00 56.01 55.05 1rw3 n LEU 463 Cb 0.30 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 1rw3 n LEU 463 CO 0.79 0.62 -0.42 0.18 -1.33 0.00 0.00 177.39 177.23 1rw3 n LEU 464 N 1.69 -5.86 -3.40 2.23 4.77 -1.26 -4.98 117.00 110.19 1rw3 n LEU 464 Ca 0.00 2.88 0.02 0.00 -0.03 0.00 0.00 56.01 58.88 1rw3 n LEU 464 Cb 0.31 -2.70 -0.05 0.00 -2.33 0.00 0.00 43.42 38.65 1rw3 n LEU 464 CO 0.00 -0.76 0.87 -0.22 -1.33 0.00 0.00 177.39 175.95 1rw3 s LEU 465 N -1.60 -0.20 -0.58 2.23 1.98 -0.27 -4.79 118.68 115.46 1rw3 s LEU 465 Ca 0.00 0.29 -0.22 0.00 -2.89 0.00 0.00 54.13 51.30 1rw3 s LEU 465 Cb 0.00 1.25 0.06 0.00 0.66 0.00 0.00 46.19 48.16 1rw3 s LEU 465 CO 0.00 -0.04 0.86 -1.81 -1.89 0.00 0.00 176.35 173.47 1rw3 s ASP 466 N 1.76 6.25 0.38 3.68 1.11 -1.26 -1.82 116.67 126.76 1rw3 s ASP 466 Ca -0.03 -0.77 -0.26 0.00 0.18 0.00 0.00 52.55 51.67 1rw3 s ASP 466 Cb -0.02 -2.39 -0.09 0.00 1.07 0.00 0.00 42.92 41.49 1rw3 s ASP 466 CO -0.14 -1.22 1.15 -0.89 1.18 0.00 0.00 175.17 175.25 1rw3 s THR 467 N 3.61 3.24 0.83 -1.27 2.01 -1.26 -2.23 115.64 120.56 1rw3 s THR 467 Ca 0.23 1.07 -0.11 0.00 0.31 0.00 0.00 61.69 63.19 1rw3 s THR 467 Cb -0.16 -3.62 0.09 0.00 0.01 0.00 0.00 72.50 68.82 1rw3 s THR 467 CO 0.14 0.13 1.09 -0.62 -0.69 0.00 0.00 174.62 174.66 1rw3 s ASP 468 N -1.10 4.08 0.34 3.53 -1.08 -1.26 -4.71 116.67 116.47 1rw3 s ASP 468 Ca 0.55 1.60 0.13 0.00 -0.52 0.00 0.00 52.55 54.30 1rw3 s ASP 468 Cb -0.31 -2.31 1.05 0.00 -1.46 0.00 0.00 42.92 39.90 1rw3 s ASP 468 CO 0.39 -2.27 1.63 0.03 0.52 0.00 0.00 175.17 175.46 1rw3 h ARG 469 N -1.29 0.17 0.00 4.34 2.47 -2.03 -2.94 114.38 115.09 1rw3 h ARG 469 Ca -0.47 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.24 1rw3 h ARG 469 Cb 1.26 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.54 1rw3 h ARG 469 CO 0.54 0.11 0.00 0.28 0.56 0.00 0.00 179.97 181.46 1rw3 n VAL 470 N -5.19 0.00 0.00 2.04 0.31 -1.26 -5.03 118.33 109.20 1rw3 n VAL 470 Ca 0.31 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.64 1rw3 n VAL 470 Cb 0.99 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.92 1rw3 n VAL 470 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rw3 n GLN 471 N 0.00 0.00 0.00 5.55 10.64 -1.11 -4.99 117.38 127.47 1rw3 n GLN 471 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 1rw3 n GLN 471 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 1rw3 n GLN 471 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 1rw3 n PHE 472 N 0.00 0.00 -0.18 2.61 3.01 -1.26 -4.75 117.46 116.89 1rw3 n PHE 472 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1rw3 n PHE 472 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 1rw3 n PHE 472 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1rw3 n GLY 473 N 2.33 -0.80 0.00 1.37 0.00 -1.25 -4.75 105.19 102.09 1rw3 n GLY 473 Ca 0.00 -1.05 0.01 0.00 0.00 0.00 0.00 46.02 44.98 1rw3 n GLY 473 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27