#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1psw s ILE 3 N 0.00 2.41 -0.17 -0.18 1.01 0.54 -0.04 121.20 124.77 1psw s ILE 3 Ca 0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 60.65 59.69 1psw s ILE 3 Cb 0.00 -1.92 -0.02 0.00 0.01 0.00 0.00 42.46 40.53 1psw s ILE 3 CO 0.00 0.57 -0.06 -0.22 0.00 0.00 0.00 174.94 175.23 1psw s LEU 4 N -0.14 3.05 -0.11 2.97 2.96 -0.53 -0.91 118.68 125.97 1psw s LEU 4 Ca -0.03 -0.24 0.03 0.00 -0.22 0.00 0.00 54.13 53.67 1psw s LEU 4 Cb -0.14 -1.74 -0.00 0.00 0.50 0.00 0.00 46.19 44.81 1psw s LEU 4 CO 0.04 0.12 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.29 1psw s VAL 5 N 0.65 2.34 -0.55 1.68 1.01 0.82 -1.02 120.40 125.33 1psw s VAL 5 Ca -0.03 -0.92 -0.20 0.00 0.00 0.00 0.00 61.98 60.83 1psw s VAL 5 Cb -0.15 -1.92 0.07 0.00 0.00 0.00 0.00 36.38 34.38 1psw s VAL 5 CO 0.02 0.55 0.70 -0.63 0.00 0.00 0.00 175.10 175.74 1psw s ILE 6 N 0.38 4.77 0.60 2.22 -1.09 0.49 -4.27 121.20 124.30 1psw s ILE 6 Ca -0.16 -0.55 -0.10 0.00 -2.23 0.00 0.00 60.65 57.61 1psw s ILE 6 Cb -0.17 -4.40 -0.03 0.00 -1.58 0.00 0.00 42.46 36.27 1psw s ILE 6 CO 0.07 -0.97 0.99 -0.83 -1.23 0.00 0.00 174.94 172.96 1psw s GLY 7 N 3.04 1.63 0.90 6.18 0.00 -1.26 -1.68 107.32 116.12 1psw s GLY 7 Ca 0.16 -0.20 -0.12 0.00 0.00 0.00 0.00 44.72 44.56 1psw s GLY 7 CO 0.11 0.06 1.11 2.56 0.00 0.00 0.00 173.10 176.93 1psw s PRO 8 N -5.11 1.26 -0.30 2.90 0.04 -1.26 -4.68 135.00 127.85 1psw s PRO 8 Ca 0.54 0.56 0.11 0.00 0.04 0.00 0.00 61.00 62.24 1psw s PRO 8 Cb -0.11 -1.83 0.64 0.00 0.04 0.00 0.00 34.50 33.24 1psw s PRO 8 CO 0.52 -2.17 1.66 0.43 0.04 0.00 0.00 177.00 177.48 1psw n SER 9 N -3.80 4.03 -4.09 6.66 7.64 -1.26 -4.81 113.62 117.99 1psw n SER 9 Ca 0.06 -3.33 -0.22 0.00 1.01 0.00 0.00 58.87 56.39 1psw n SER 9 Cb 0.57 -0.69 -0.15 0.00 -1.01 0.00 0.00 64.21 62.93 1psw n SER 9 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1psw s TRP 10 N -3.04 1.23 0.15 1.43 0.52 -1.26 -5.05 118.94 112.91 1psw s TRP 10 Ca 0.50 -0.25 -0.22 0.00 0.02 0.00 0.00 56.10 56.15 1psw s TRP 10 Cb 0.42 -0.80 0.02 0.00 -1.15 0.00 0.00 33.47 31.95 1psw s TRP 10 CO 0.09 -0.04 1.64 0.28 0.02 0.00 0.00 176.95 178.94 1psw h VAL 11 N 4.91 0.44 0.05 4.03 2.07 -1.92 -2.84 116.25 122.99 1psw h VAL 11 Ca -0.34 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.21 1psw h VAL 11 Cb 1.16 0.44 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 1psw h VAL 11 CO 0.49 0.00 -0.30 1.23 0.02 0.00 0.00 177.57 179.01 1psw h GLY 12 N -0.24 -0.52 -5.45 2.17 0.00 -1.88 -3.48 103.07 93.66 1psw h GLY 12 Ca 0.13 0.36 -0.56 0.00 0.00 0.00 0.00 47.33 47.26 1psw h GLY 12 CO -0.35 -0.23 1.17 1.22 0.00 0.00 0.00 176.54 178.34 1psw n ASP 13 N -5.40 3.89 0.00 0.19 9.92 -1.08 -4.99 116.55 119.08 1psw n ASP 13 Ca -0.06 0.94 0.00 0.00 -0.53 0.00 0.00 54.79 55.14 1psw n ASP 13 Cb 0.32 -1.47 0.00 0.00 -0.64 0.00 0.00 41.12 39.32 1psw n ASP 13 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1psw n SER 17 N 6.94 0.00 0.25 -2.24 3.41 -1.26 -4.88 113.62 115.84 1psw n SER 17 Ca 0.21 0.00 0.08 0.00 -0.26 0.00 0.00 58.87 58.89 1psw n SER 17 Cb 0.36 0.00 0.61 0.00 -0.26 0.00 0.00 64.21 64.92 1psw n SER 17 CO 0.00 0.00 0.00 -0.61 -0.16 0.00 0.00 175.04 174.27 1psw h GLN 18 N 0.00 0.00 -0.55 4.33 4.15 -1.97 -1.45 115.11 119.63 1psw h GLN 18 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 1psw h GLN 18 Cb 0.00 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 27.66 1psw h GLN 18 CO 0.00 0.08 0.26 0.77 -1.93 0.00 0.00 178.83 178.01 1psw h SER 19 N 0.00 0.69 -0.28 -0.69 0.02 -1.87 0.45 113.55 111.87 1psw h SER 19 Ca -0.00 -0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 60.84 1psw h SER 19 Cb 0.15 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1psw h SER 19 CO 0.01 0.59 -0.00 0.25 -1.14 0.00 0.00 176.83 176.54 1psw h LEU 20 N 0.77 0.49 -0.66 5.07 5.85 -1.55 -0.56 115.31 124.72 1psw h LEU 20 Ca 0.19 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.59 1psw h LEU 20 Cb 0.08 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1psw h LEU 20 CO -0.03 0.69 0.38 1.88 -0.34 0.00 0.00 178.44 181.02 1psw h TYR 21 N 0.29 0.90 -0.70 1.25 0.05 -1.17 0.23 116.97 117.81 1psw h TYR 21 Ca 0.08 -0.01 -0.07 0.00 0.05 0.00 0.00 58.73 58.78 1psw h TYR 21 Cb 0.44 -0.29 -0.03 0.00 1.01 0.00 0.00 36.73 37.86 1psw h TYR 21 CO 0.04 0.63 0.17 0.00 -1.05 0.00 0.00 178.16 177.94 1psw h ARG 22 N 0.90 1.12 -0.33 4.88 3.08 -0.86 -2.46 114.38 120.71 1psw h ARG 22 Ca 0.24 -0.27 -0.15 0.00 0.07 0.00 0.00 59.98 59.87 1psw h ARG 22 Cb 0.01 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1psw h ARG 22 CO -0.04 0.99 -0.39 1.15 -1.07 0.00 0.00 179.97 180.61 1psw h THR 23 N 1.06 1.28 -0.87 2.04 2.02 -0.50 -2.78 112.91 115.16 1psw h THR 23 Ca 0.22 -1.56 -0.01 0.00 0.77 0.00 0.00 66.41 65.83 1psw h THR 23 Cb 0.37 1.44 -0.04 0.00 -1.74 0.00 0.00 68.15 68.17 1psw h THR 23 CO 0.00 0.51 0.49 -0.07 0.37 0.00 0.00 175.52 176.82 1psw h LEU 24 N 0.66 1.07 -0.48 2.58 3.38 -0.36 -0.90 115.31 121.27 1psw h LEU 24 Ca 0.06 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1psw h LEU 24 Cb 0.95 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1psw h LEU 24 CO 0.09 0.86 0.00 1.56 0.09 0.00 0.00 178.44 181.03 1psw h GLN 25 N 1.21 0.00 0.00 1.13 4.20 -1.40 -0.47 115.11 119.78 1psw h GLN 25 Ca 0.31 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 58.92 1psw h GLN 25 Cb 0.01 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 1psw h GLN 25 CO -0.05 0.00 -1.37 0.00 -0.67 0.00 0.00 178.83 176.74 1psw n ALA 26 N -1.87 2.22 0.40 3.87 0.00 -0.74 -4.28 120.51 120.11 1psw n ALA 26 Ca 0.03 -0.46 0.09 0.00 0.00 0.00 0.00 53.44 53.10 1psw n ALA 26 Cb 0.35 -0.95 -0.12 0.00 0.00 0.00 0.00 19.45 18.72 1psw n ALA 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1psw n ARG 27 N -2.74 0.79 -4.54 0.00 5.12 -0.42 -4.96 116.66 109.92 1psw n ARG 27 Ca -0.07 -0.09 -0.22 0.00 -1.93 0.00 0.00 57.85 55.54 1psw n ARG 27 Cb 0.72 -1.40 -0.16 0.00 -1.16 0.00 0.00 32.46 30.47 1psw n ARG 27 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 1psw s TYR 28 N -3.01 1.19 0.26 -1.55 2.02 -0.20 -5.08 117.35 110.99 1psw s TYR 28 Ca -0.00 -0.30 -0.29 0.00 -0.37 0.00 0.00 57.07 56.10 1psw s TYR 28 Cb 0.13 -0.82 -0.09 0.00 -0.40 0.00 0.00 41.96 40.77 1psw s TYR 28 CO 0.76 -0.11 1.15 -1.25 -1.57 0.00 0.00 175.55 174.53 1psw s PRO 29 N 0.09 4.57 -1.34 -1.71 0.04 -1.26 -3.90 135.00 131.50 1psw s PRO 29 Ca -0.02 1.87 -0.12 0.00 0.04 0.00 0.00 61.00 62.77 1psw s PRO 29 Cb -0.09 -3.19 0.01 0.00 0.04 0.00 0.00 34.50 31.27 1psw s PRO 29 CO 0.01 0.09 0.47 1.04 0.04 0.00 0.00 177.00 178.65 1psw n GLN 30 N 1.44 -1.75 -2.76 4.56 3.00 -1.26 -4.90 117.38 115.72 1psw n GLN 30 Ca 0.00 0.28 -0.43 0.00 -0.01 0.00 0.00 57.00 56.85 1psw n GLN 30 Cb 0.44 -3.84 -0.03 0.00 0.00 0.00 0.00 30.24 26.81 1psw n GLN 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1psw s ALA 31 N -3.85 3.47 -0.34 -1.58 0.00 -1.25 -4.75 121.76 113.47 1psw s ALA 31 Ca 0.21 -0.26 -0.12 0.00 0.00 0.00 0.00 51.96 51.79 1psw s ALA 31 Cb -0.09 -3.55 -0.01 0.00 0.00 0.00 0.00 23.12 19.47 1psw s ALA 31 CO 0.92 -1.46 0.21 0.42 0.00 0.00 0.00 175.76 175.85 1psw s ILE 32 N 3.45 4.98 -0.23 0.00 -1.09 -1.26 -4.92 121.20 122.13 1psw s ILE 32 Ca 0.40 -0.36 -0.04 0.00 -2.23 0.00 0.00 60.65 58.42 1psw s ILE 32 Cb -0.12 -3.58 -0.01 0.00 -1.58 0.00 0.00 42.46 37.17 1psw s ILE 32 CO 0.16 -0.01 -0.02 -0.63 -1.23 0.00 0.00 174.94 173.21 1psw s ILE 33 N 1.67 3.52 -0.09 2.92 1.01 -1.26 -0.34 121.20 128.63 1psw s ILE 33 Ca 0.05 -0.49 -0.02 0.00 0.00 0.00 0.00 60.65 60.19 1psw s ILE 33 Cb -0.17 -2.63 -0.03 0.00 0.01 0.00 0.00 42.46 39.63 1psw s ILE 33 CO 0.09 0.38 0.00 -1.81 0.00 0.00 0.00 174.94 173.59 1psw s ASP 34 N 1.49 5.24 0.00 3.58 1.01 -0.09 0.14 116.67 128.04 1psw s ASP 34 Ca 0.05 0.14 0.00 0.00 0.71 0.00 0.00 52.55 53.46 1psw s ASP 34 Cb -0.15 -1.47 0.00 0.00 1.01 0.00 0.00 42.92 42.31 1psw s ASP 34 CO -0.02 0.38 0.00 0.52 0.21 0.00 0.00 175.17 176.26 1psw n VAL 35 N 2.14 0.00 0.00 -1.27 0.31 -0.51 -0.13 118.33 118.87 1psw n VAL 35 Ca -0.19 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1psw n VAL 35 Cb 0.54 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.47 1psw n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1psw n ALA 37 N -3.00 0.00 -0.74 3.52 0.00 -1.25 -1.51 120.51 117.52 1psw n ALA 37 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 1psw n ALA 37 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.59 1psw n ALA 37 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1psw n PRO 38 N -1.90 -0.57 -0.18 0.00 -0.02 -1.26 -4.83 135.00 126.24 1psw n PRO 38 Ca 0.00 -0.12 -0.02 0.00 -2.02 0.00 0.00 63.50 61.34 1psw n PRO 38 Cb 0.00 -1.95 0.08 0.00 -0.02 0.00 0.00 33.50 31.61 1psw n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1psw h ALA 39 N -1.74 0.68 0.00 3.55 0.00 -2.00 -1.38 119.26 118.38 1psw h ALA 39 Ca -0.45 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1psw h ALA 39 Cb 1.29 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.11 1psw h ALA 39 CO 0.37 -0.18 0.00 -2.67 0.00 0.00 0.00 179.25 176.76 1psw n TRP 40 N -4.98 0.32 0.09 0.00 4.27 -1.26 -1.65 117.44 114.23 1psw n TRP 40 Ca 0.06 0.16 0.01 0.00 -3.89 0.00 0.00 57.50 53.84 1psw n TRP 40 Cb 0.22 -0.75 -0.03 0.00 -1.36 0.00 0.00 31.31 29.39 1psw n TRP 40 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1psw h ARG 42 N 0.00 0.35 -0.72 0.00 2.43 -1.36 -1.75 114.38 113.33 1psw h ARG 42 Ca -0.07 -0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.16 1psw h ARG 42 Cb 1.48 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 30.88 1psw h ARG 42 CO 0.06 0.23 0.40 -1.35 -1.51 0.00 0.00 179.97 177.80 1psw h PRO 43 N 0.36 0.68 -0.34 0.20 0.11 -1.78 -1.19 132.00 130.05 1psw h PRO 43 Ca 0.52 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.51 1psw h PRO 43 Cb 0.96 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 1psw h PRO 43 CO -0.53 0.45 -0.08 1.25 -0.21 0.00 0.00 178.00 178.88 1psw h LEU 44 N 0.70 0.66 -1.73 2.35 5.85 -1.58 -2.84 115.31 118.70 1psw h LEU 44 Ca 0.34 -0.37 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1psw h LEU 44 Cb 0.28 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1psw h LEU 44 CO -0.22 0.87 0.15 -0.07 -0.34 0.00 0.00 178.44 178.83 1psw h LEU 45 N 0.43 0.29 -1.05 2.25 3.38 -1.09 -0.56 115.31 118.96 1psw h LEU 45 Ca 0.08 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1psw h LEU 45 Cb 0.58 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1psw h LEU 45 CO 0.03 0.22 0.00 0.77 0.09 0.00 0.00 178.44 179.55 1psw h SER 46 N 0.34 0.00 -1.33 -0.43 4.64 -0.97 -3.44 113.55 112.36 1psw h SER 46 Ca 0.09 0.00 -0.75 0.00 -0.47 0.00 0.00 61.79 60.66 1psw h SER 46 Cb -0.02 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 61.93 1psw h SER 46 CO -0.02 0.00 2.19 0.54 -0.87 0.00 0.00 176.83 178.67 1psw n ARG 47 N -2.41 4.29 0.00 4.77 5.12 -0.22 -5.11 116.66 123.11 1psw n ARG 47 Ca 0.01 -3.56 0.00 0.00 -1.93 0.00 0.00 57.85 52.37 1psw n ARG 47 Cb 0.20 -2.72 0.00 0.00 -1.16 0.00 0.00 32.46 28.78 1psw n ARG 47 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 1psw n PRO 49 N 2.37 5.23 0.24 5.56 -0.04 -1.26 -4.74 135.00 142.36 1psw n PRO 49 Ca 0.53 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 64.14 1psw n PRO 49 Cb 0.29 -0.55 0.53 0.00 -0.04 0.00 0.00 33.50 33.73 1psw n PRO 49 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1psw h GLU 50 N 0.00 0.00 -5.60 0.54 3.07 -1.95 -3.43 114.58 107.21 1psw h GLU 50 Ca 0.00 0.00 -0.60 0.00 -0.50 0.00 0.00 59.36 58.26 1psw h GLU 50 Cb 0.00 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 27.81 1psw h GLU 50 CO 0.00 0.00 0.09 0.08 -1.40 0.00 0.00 179.01 177.78 1psw s VAL 51 N -3.49 5.03 -0.07 3.13 1.01 -1.26 -4.38 120.40 120.37 1psw s VAL 51 Ca 0.03 1.12 -0.20 0.00 0.00 0.00 0.00 61.98 62.93 1psw s VAL 51 Cb 0.08 -3.92 -0.16 0.00 0.00 0.00 0.00 36.38 32.39 1psw s VAL 51 CO 0.56 0.11 0.77 -1.13 0.00 0.00 0.00 175.10 175.41 1psw h ASN 52 N 7.56 -0.13 -4.84 3.32 -1.24 -0.59 -3.48 115.58 116.17 1psw h ASN 52 Ca -0.31 -0.43 -0.12 0.00 0.71 0.00 0.00 56.30 56.15 1psw h ASN 52 Cb 1.14 0.03 -0.21 0.00 0.73 0.00 0.00 38.32 40.02 1psw h ASN 52 CO 0.76 0.50 -0.30 -0.70 -1.29 0.00 0.00 177.43 176.40 1psw s GLU 53 N -3.03 0.61 -0.60 6.67 2.12 -1.22 -5.03 118.70 118.22 1psw s GLU 53 Ca -0.12 -0.13 -0.14 0.00 0.36 0.00 0.00 54.97 54.93 1psw s GLU 53 Cb -0.00 0.27 0.15 0.00 0.26 0.00 0.00 34.13 34.81 1psw s GLU 53 CO 0.46 -0.16 0.54 0.00 -0.54 0.00 0.00 175.26 175.56 1psw s ALA 54 N -1.15 3.72 -0.13 6.30 0.00 -1.26 -1.43 121.76 127.81 1psw s ALA 54 Ca -0.12 -2.75 -0.30 0.00 0.00 0.00 0.00 51.96 48.78 1psw s ALA 54 Cb -0.05 -3.25 -0.08 0.00 0.00 0.00 0.00 23.12 19.74 1psw s ALA 54 CO 0.04 -2.07 2.09 -0.89 0.00 0.00 0.00 175.76 174.93 1psw n ILE 55 N 4.84 0.50 -2.43 0.00 2.08 -0.57 -4.96 119.36 118.82 1psw n ILE 55 Ca -0.06 -0.28 -0.36 0.00 0.56 0.00 0.00 62.75 62.61 1psw n ILE 55 Cb 0.42 -2.29 -0.03 0.00 -0.75 0.00 0.00 39.64 36.99 1psw n ILE 55 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 1psw s PRO 56 N 5.39 3.91 0.00 0.38 0.04 -1.26 -3.97 135.00 139.49 1psw s PRO 56 Ca 0.97 1.59 0.00 0.00 0.04 0.00 0.00 61.00 63.59 1psw s PRO 56 Cb -0.48 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 31.67 1psw s PRO 56 CO 0.41 -0.38 0.00 0.39 0.04 0.00 0.00 177.00 177.47 1psw n GLU 65 N -0.43 0.84 -0.34 4.56 1.02 -1.26 -5.07 120.64 119.96 1psw n GLU 65 Ca 0.07 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.29 1psw n GLU 65 Cb 0.50 -0.09 0.25 0.00 -0.02 0.00 0.00 31.44 32.07 1psw n GLU 65 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1psw h ILE 66 N 0.00 0.83 -0.05 -3.67 5.03 -2.04 0.24 117.51 117.85 1psw h ILE 66 Ca 0.00 -0.29 -0.08 0.00 -0.12 0.00 0.00 64.86 64.37 1psw h ILE 66 Cb 0.00 -0.08 -0.01 0.00 -3.03 0.00 0.00 36.82 33.70 1psw h ILE 66 CO 0.00 0.15 -0.35 1.23 -0.68 0.00 0.00 178.15 178.50 1psw h GLY 67 N 0.84 0.10 0.68 5.37 0.00 -2.06 -2.78 103.07 105.22 1psw h GLY 67 Ca 0.50 -0.08 -0.12 0.00 0.00 0.00 0.00 47.33 47.62 1psw h GLY 67 CO -0.31 0.08 -0.47 0.83 0.00 0.00 0.00 176.54 176.66 1psw h GLU 68 N 0.08 0.34 -1.00 4.80 5.08 -1.19 -3.01 114.58 119.67 1psw h GLU 68 Ca 0.01 -0.35 0.13 0.00 -1.00 0.00 0.00 59.36 58.15 1psw h GLU 68 Cb 0.66 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 29.92 1psw h GLU 68 CO 0.05 1.03 0.63 0.00 -1.00 0.00 0.00 179.01 179.72 1psw h ARG 69 N -0.22 0.94 -0.31 2.33 3.08 -0.58 0.25 114.38 119.87 1psw h ARG 69 Ca -0.06 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.89 1psw h ARG 69 Cb 1.19 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 31.02 1psw h ARG 69 CO 0.09 0.62 -0.00 0.00 -1.07 0.00 0.00 179.97 179.61 1psw h ARG 70 N 0.97 0.55 -0.40 0.04 3.08 -1.54 0.77 114.38 117.84 1psw h ARG 70 Ca 0.50 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 60.36 1psw h ARG 70 Cb 0.53 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 1psw h ARG 70 CO -0.27 0.69 0.19 0.87 -1.07 0.00 0.00 179.97 180.38 1psw h LYS 71 N 0.35 0.58 -0.10 0.04 1.57 -1.14 0.10 116.57 117.97 1psw h LYS 71 Ca 0.09 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1psw h LYS 71 Cb 0.45 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1psw h LYS 71 CO 0.02 0.51 0.03 1.25 -0.57 0.00 0.00 179.45 180.69 1psw h LEU 72 N 0.51 0.03 -0.99 2.94 5.85 -0.44 -1.88 115.31 121.33 1psw h LEU 72 Ca 0.14 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.87 1psw h LEU 72 Cb 0.12 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 1psw h LEU 72 CO -0.02 0.03 0.63 1.23 -0.34 0.00 0.00 178.44 179.98 1psw h GLY 73 N 0.08 1.41 1.30 3.75 0.00 -0.54 -2.64 103.07 106.42 1psw h GLY 73 Ca 0.04 -0.55 -0.05 0.00 0.00 0.00 0.00 47.33 46.78 1psw h GLY 73 CO -0.05 0.53 0.16 0.45 0.00 0.00 0.00 176.54 177.63 1psw h HIS 74 N 1.35 0.91 0.00 5.60 3.86 -0.43 -2.34 115.15 124.10 1psw h HIS 74 Ca 0.36 -0.08 -0.02 0.00 -1.16 0.00 0.00 60.37 59.47 1psw h HIS 74 Cb -0.12 -0.27 -0.00 0.00 1.06 0.00 0.00 27.41 28.08 1psw h HIS 74 CO 0.00 0.74 -0.08 0.66 0.86 0.00 0.00 177.93 180.12 1psw h SER 75 N 0.85 0.00 0.38 2.45 4.64 -0.99 -2.45 113.55 118.44 1psw h SER 75 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1psw h SER 75 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1psw h SER 75 CO -0.01 0.08 -0.11 0.18 -0.87 0.00 0.00 176.83 176.11 1psw n LEU 76 N -3.28 0.43 -0.13 5.97 4.77 -0.88 -3.79 117.00 120.09 1psw n LEU 76 Ca -0.01 0.03 -0.02 0.00 -0.03 0.00 0.00 56.01 55.99 1psw n LEU 76 Cb 0.28 -0.19 0.21 0.00 -2.33 0.00 0.00 43.42 41.39 1psw n LEU 76 CO 0.28 0.08 1.02 0.03 -1.33 0.00 0.00 177.39 177.47 1psw h ARG 77 N 0.51 0.83 -0.52 3.23 3.08 -1.45 -2.27 114.38 117.79 1psw h ARG 77 Ca 0.00 -0.14 0.04 0.00 0.07 0.00 0.00 59.98 59.95 1psw h ARG 77 Cb 0.36 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 1psw h ARG 77 CO 0.00 0.71 0.34 0.93 -1.07 0.00 0.00 179.97 180.88 1psw h GLU 78 N 0.81 0.54 0.00 0.04 5.08 -1.78 -0.92 114.58 118.35 1psw h GLU 78 Ca 0.19 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 1psw h GLU 78 Cb 0.22 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 1psw h GLU 78 CO -0.01 0.36 -0.06 0.87 -1.00 0.00 0.00 179.01 179.17 1psw h LYS 79 N 0.55 0.00 -5.92 2.33 1.79 -1.65 -3.46 116.57 110.22 1psw h LYS 79 Ca 0.21 0.00 -0.38 0.00 -2.18 0.00 0.00 60.65 58.30 1psw h LYS 79 Cb 0.16 0.00 0.10 0.00 -1.58 0.00 0.00 32.23 30.91 1psw h LYS 79 CO -0.06 0.06 -0.82 0.54 -1.08 0.00 0.00 179.45 178.09 1psw n ARG 80 N -4.15 -4.93 -1.89 3.15 1.74 -0.35 -4.89 116.66 105.33 1psw n ARG 80 Ca -0.03 0.70 -0.42 0.00 -0.77 0.00 0.00 57.85 57.33 1psw n ARG 80 Cb 0.14 -5.36 -0.03 0.00 -1.02 0.00 0.00 32.46 26.19 1psw n ARG 80 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1psw s TYR 81 N -3.55 2.96 0.02 -1.55 2.02 -1.26 -4.82 117.35 111.18 1psw s TYR 81 Ca 0.07 0.72 -0.17 0.00 -0.37 0.00 0.00 57.07 57.32 1psw s TYR 81 Cb -0.02 -3.96 -0.29 0.00 -0.40 0.00 0.00 41.96 37.29 1psw s TYR 81 CO 0.79 -3.39 1.05 -0.44 -1.57 0.00 0.00 175.55 171.98 1psw h ASP 82 N 5.94 0.74 -4.56 2.29 3.32 -0.80 -3.41 116.42 119.92 1psw h ASP 82 Ca -0.44 -0.85 -0.28 0.00 0.02 0.00 0.00 57.03 55.48 1psw h ASP 82 Cb 1.21 -0.23 -0.15 0.00 0.22 0.00 0.00 39.33 40.38 1psw h ASP 82 CO 0.86 1.51 -0.66 -0.13 -1.72 0.00 0.00 179.24 179.10 1psw s ARG 83 N -2.89 1.10 -0.04 3.56 0.52 -0.98 -3.73 118.95 116.49 1psw s ARG 83 Ca -0.11 -1.53 -0.06 0.00 -0.52 0.00 0.00 55.73 53.51 1psw s ARG 83 Cb 0.04 -0.24 0.01 0.00 0.52 0.00 0.00 34.95 35.28 1psw s ARG 83 CO 0.89 -0.14 0.14 0.00 0.02 0.00 0.00 175.30 176.22 1psw s ALA 84 N -3.68 -0.35 -0.10 2.13 0.00 0.40 -1.45 121.76 118.71 1psw s ALA 84 Ca 0.24 0.27 0.01 0.00 0.00 0.00 0.00 51.96 52.48 1psw s ALA 84 Cb 0.06 -0.16 0.02 0.00 0.00 0.00 0.00 23.12 23.04 1psw s ALA 84 CO 0.04 -0.11 -0.11 0.71 0.00 0.00 0.00 175.76 176.30 1psw s TYR 85 N -0.30 1.59 -0.32 0.00 2.02 -0.19 -0.49 117.35 119.67 1psw s TYR 85 Ca -0.04 -0.73 -0.09 0.00 -0.37 0.00 0.00 57.07 55.84 1psw s TYR 85 Cb -0.03 -1.23 0.00 0.00 -0.40 0.00 0.00 41.96 40.31 1psw s TYR 85 CO 0.00 -0.44 0.14 0.08 -1.57 0.00 0.00 175.55 173.77 1psw s VAL 86 N 1.22 4.40 -0.08 0.71 1.01 -0.20 -0.38 120.40 127.07 1psw s VAL 86 Ca -0.04 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.39 1psw s VAL 86 Cb -0.14 -3.29 -0.25 0.00 0.00 0.00 0.00 36.38 32.70 1psw s VAL 86 CO -0.03 0.02 0.52 0.18 0.00 0.00 0.00 175.10 175.79 1psw n LEU 87 N 4.95 1.79 -4.66 3.92 4.77 -0.68 -4.43 117.00 122.66 1psw n LEU 87 Ca -0.14 0.31 -0.29 0.00 -0.03 0.00 0.00 56.01 55.86 1psw n LEU 87 Cb 0.48 -0.50 0.17 0.00 -2.33 0.00 0.00 43.42 41.24 1psw n LEU 87 CO 0.33 0.63 0.63 -2.84 -1.33 0.00 0.00 177.39 174.82 1psw s PRO 88 N -2.58 0.62 -0.00 3.23 0.02 -1.26 -4.91 135.00 130.13 1psw s PRO 88 Ca -0.14 0.80 0.22 0.00 0.02 0.00 0.00 61.00 61.90 1psw s PRO 88 Cb 0.07 -1.74 -0.25 0.00 0.02 0.00 0.00 34.50 32.60 1psw s PRO 88 CO 0.80 -2.67 0.67 0.09 -0.33 0.00 0.00 177.00 175.55 1psw n ASN 89 N -4.18 0.34 -4.66 2.53 3.02 -1.26 -4.94 115.26 106.12 1psw n ASN 89 Ca 0.06 -0.23 -0.39 0.00 -0.03 0.00 0.00 54.58 53.99 1psw n ASN 89 Cb 0.55 1.55 0.04 0.00 -0.61 0.00 0.00 39.78 41.32 1psw n ASN 89 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1psw n SER 90 N -2.08 1.52 0.08 6.41 3.41 -1.26 -2.08 113.62 119.62 1psw n SER 90 Ca -0.01 0.90 -0.13 0.00 -0.26 0.00 0.00 58.87 59.37 1psw n SER 90 Cb 0.50 -1.45 -0.08 0.00 -0.26 0.00 0.00 64.21 62.92 1psw n SER 90 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1psw h PHE 91 N 0.98 -0.14 -0.02 7.33 3.57 -1.94 -3.06 116.94 123.66 1psw h PHE 91 Ca -0.49 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.02 1psw h PHE 91 Cb 1.34 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 40.13 1psw h PHE 91 CO 0.41 0.05 0.02 1.57 -2.23 0.00 0.00 178.31 178.13 1psw h LYS 92 N -0.31 0.00 0.00 1.11 2.10 -1.96 -2.47 116.57 115.04 1psw h LYS 92 Ca -0.02 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.62 1psw h LYS 92 Cb 0.26 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.58 1psw h LYS 92 CO 0.03 0.00 -0.05 0.66 -2.00 0.00 0.00 179.45 178.09 1psw h SER 93 N 0.00 0.00 -0.40 7.07 4.64 -1.91 -1.94 113.55 121.00 1psw h SER 93 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1psw h SER 93 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 1psw h SER 93 CO -0.00 0.05 0.00 0.00 -0.87 0.00 0.00 176.83 176.01 1psw n ALA 94 N -2.21 2.44 -0.01 5.18 0.00 -0.93 -4.41 120.51 120.56 1psw n ALA 94 Ca -0.02 -0.86 -0.13 0.00 0.00 0.00 0.00 53.44 52.43 1psw n ALA 94 Cb 0.16 -0.96 -0.10 0.00 0.00 0.00 0.00 19.45 18.55 1psw n ALA 94 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1psw h LEU 95 N 3.37 -0.02 -0.54 0.00 3.38 -1.49 -3.34 115.31 116.66 1psw h LEU 95 Ca 0.00 -0.55 0.11 0.00 0.09 0.00 0.00 57.88 57.53 1psw h LEU 95 Cb 0.75 0.01 -0.11 0.00 0.09 0.00 0.00 40.66 41.40 1psw h LEU 95 CO 0.00 0.54 -0.22 0.58 0.09 0.00 0.00 178.44 179.44 1psw h VAL 96 N -0.60 0.33 -0.86 1.22 2.07 -1.77 -1.22 116.25 115.41 1psw h VAL 96 Ca -0.00 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.67 1psw h VAL 96 Cb 0.57 0.33 -0.07 0.00 -1.52 0.00 0.00 31.29 30.60 1psw h VAL 96 CO 0.00 0.00 0.56 -0.65 0.02 0.00 0.00 177.57 177.51 1psw h PRO 97 N -0.09 0.56 -0.03 1.57 0.11 -1.86 -0.24 132.00 132.03 1psw h PRO 97 Ca 0.25 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.32 1psw h PRO 97 Cb 0.48 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.46 1psw h PRO 97 CO -0.60 0.37 -0.02 1.25 -0.21 0.00 0.00 178.00 178.78 1psw h LEU 98 N 0.58 0.08 -2.18 2.35 5.85 -1.35 -2.89 115.31 117.74 1psw h LEU 98 Ca 0.44 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1psw h LEU 98 Cb 0.83 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.84 1psw h LEU 98 CO -0.19 0.52 -0.03 -0.26 -0.34 0.00 0.00 178.44 178.14 1psw h PHE 99 N -0.36 0.00 0.00 1.25 0.04 -0.83 0.19 116.94 117.22 1psw h PHE 99 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1psw h PHE 99 Cb 0.49 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.64 1psw h PHE 99 CO 0.08 0.03 0.00 0.00 -0.60 0.00 0.00 178.31 177.82 1psw n ALA 100 N -2.41 1.96 -1.49 2.45 0.00 -0.17 -4.14 120.51 116.70 1psw n ALA 100 Ca -0.03 -0.05 -0.06 0.00 0.00 0.00 0.00 53.44 53.30 1psw n ALA 100 Cb 0.11 -1.36 -0.02 0.00 0.00 0.00 0.00 19.45 18.19 1psw n ALA 100 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1psw n GLY 101 N 0.66 0.60 3.69 0.00 0.00 0.05 -4.31 105.19 105.89 1psw n GLY 101 Ca 0.05 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 1psw n GLY 101 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1psw s ILE 102 N -2.25 3.99 0.20 -0.61 1.01 -1.11 -4.94 121.20 117.49 1psw s ILE 102 Ca 0.00 1.34 -0.11 0.00 0.00 0.00 0.00 60.65 61.88 1psw s ILE 102 Cb 0.00 -3.86 0.13 0.00 0.01 0.00 0.00 42.46 38.74 1psw s ILE 102 CO 0.00 -0.01 1.83 1.55 0.00 0.00 0.00 174.94 178.31 1psw h PRO 103 N 7.71 0.95 -4.81 2.79 0.13 -1.80 -3.41 132.00 133.57 1psw h PRO 103 Ca -0.35 -0.10 -0.68 0.00 -0.87 0.00 0.00 66.00 64.00 1psw h PRO 103 Cb 1.17 -0.19 -0.31 0.00 0.13 0.00 0.00 31.00 31.79 1psw h PRO 103 CO 0.90 0.69 -0.70 -1.01 -0.23 0.00 0.00 178.00 177.65 1psw s HIS 104 N -5.93 3.18 -0.25 1.56 3.76 -1.24 -4.94 115.29 111.42 1psw s HIS 104 Ca -0.13 -1.60 0.02 0.00 -0.15 0.00 0.00 55.06 53.21 1psw s HIS 104 Cb 0.14 -2.13 0.06 0.00 1.11 0.00 0.00 32.58 31.76 1psw s HIS 104 CO 0.78 -0.74 -0.10 1.03 -0.85 0.00 0.00 174.74 174.86 1psw s ARG 105 N 1.33 2.14 0.11 1.40 0.52 -1.26 -0.45 118.95 122.73 1psw s ARG 105 Ca -0.02 -1.22 0.05 0.00 -0.52 0.00 0.00 55.73 54.03 1psw s ARG 105 Cb -0.18 -2.78 -0.04 0.00 0.52 0.00 0.00 34.95 32.47 1psw s ARG 105 CO -0.01 -0.55 0.02 0.99 0.02 0.00 0.00 175.30 175.76 1psw s THR 106 N 1.19 4.04 0.00 0.02 2.01 0.36 -2.31 115.64 120.96 1psw s THR 106 Ca -0.07 -1.05 0.00 0.00 0.31 0.00 0.00 61.69 60.88 1psw s THR 106 Cb -0.19 -2.95 0.00 0.00 0.01 0.00 0.00 72.50 69.36 1psw s THR 106 CO -0.06 0.07 0.00 0.61 -0.69 0.00 0.00 174.62 174.55 1psw n GLY 107 N 0.38 2.25 3.77 4.40 0.00 -1.21 -1.04 105.19 113.75 1psw n GLY 107 Ca -0.10 -0.80 -0.34 0.00 0.00 0.00 0.00 46.02 44.78 1psw n GLY 107 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1psw s TRP 108 N -2.00 2.66 0.26 1.61 0.52 -1.26 -1.86 118.94 118.87 1psw s TRP 108 Ca 0.00 1.55 -0.02 0.00 0.02 0.00 0.00 56.10 57.65 1psw s TRP 108 Cb 0.00 -3.22 0.57 0.00 -1.15 0.00 0.00 33.47 29.67 1psw s TRP 108 CO 0.00 -1.61 1.67 -0.09 0.02 0.00 0.00 176.95 176.94 1psw h ARG 109 N 0.60 0.24 0.00 4.98 2.43 -1.48 -3.44 114.38 117.71 1psw h ARG 109 Ca -0.48 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 1psw h ARG 109 Cb 1.25 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1psw h ARG 109 CO 0.56 0.16 0.00 0.41 -1.51 0.00 0.00 179.97 179.59 1psw n GLY 110 N -1.37 3.44 0.03 2.80 0.00 -1.26 -1.99 105.19 106.84 1psw n GLY 110 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.33 1psw n GLY 110 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1psw n GLU 111 N 14.00 0.09 -2.50 1.61 1.02 -0.88 -5.07 120.64 128.91 1psw n GLU 111 Ca 0.00 0.05 -0.02 0.00 -0.02 0.00 0.00 57.16 57.17 1psw n GLU 111 Cb 0.00 -1.59 0.10 0.00 -0.02 0.00 0.00 31.44 29.94 1psw n GLU 111 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1psw n ARG 113 N -1.74 1.10 0.21 3.49 1.74 -0.84 -4.65 116.66 115.97 1psw n ARG 113 Ca 0.06 -1.10 0.15 0.00 -0.77 0.00 0.00 57.85 56.18 1psw n ARG 113 Cb 0.37 0.29 0.75 0.00 -1.02 0.00 0.00 32.46 32.85 1psw n ARG 113 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 1psw h TYR 114 N 1.00 0.00 0.00 -1.55 -1.99 -1.86 -1.91 116.97 110.65 1psw h TYR 114 Ca -0.37 0.00 -0.37 0.00 2.00 0.00 0.00 58.73 59.99 1psw h TYR 114 Cb 1.25 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 39.93 1psw h TYR 114 CO -0.06 0.00 -2.16 0.41 -0.00 0.00 0.00 178.16 176.35 1psw n GLY 115 N -1.07 -0.53 0.30 3.88 0.00 -1.26 -4.45 105.19 102.06 1psw n GLY 115 Ca -0.01 -0.13 0.19 0.00 0.00 0.00 0.00 46.02 46.06 1psw n GLY 115 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1psw h LEU 116 N -1.00 0.00 -7.87 0.99 3.38 -1.86 -3.39 115.31 105.56 1psw h LEU 116 Ca -0.56 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 56.74 1psw h LEU 116 Cb 1.48 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 41.86 1psw h LEU 116 CO -0.34 0.02 -0.81 -0.76 0.09 0.00 0.00 178.44 176.65 1psw s LEU 117 N -6.38 3.22 0.00 1.67 1.43 -0.72 -4.71 118.68 113.19 1psw s LEU 117 Ca -0.02 -1.29 0.25 0.00 -1.03 0.00 0.00 54.13 52.04 1psw s LEU 117 Cb 0.11 -1.51 1.22 0.00 0.03 0.00 0.00 46.19 46.04 1psw s LEU 117 CO 0.50 -0.17 1.82 -0.46 0.23 0.00 0.00 176.35 178.27 1psw n ASN 118 N 4.47 0.83 -3.12 2.29 0.23 -1.13 -3.83 115.26 115.01 1psw n ASN 118 Ca -0.15 -1.40 -0.20 0.00 -0.53 0.00 0.00 54.58 52.31 1psw n ASN 118 Cb 0.43 -0.02 -0.03 0.00 -2.08 0.00 0.00 39.78 38.08 1psw n ASN 118 CO 0.00 0.00 0.00 -0.67 -0.93 0.00 0.00 177.26 175.66 1psw n ASP 119 N -0.30 1.63 -4.74 0.53 2.03 -0.98 -4.96 116.55 109.77 1psw n ASP 119 Ca 0.19 -3.15 -0.41 0.00 0.52 0.00 0.00 54.79 51.94 1psw n ASP 119 Cb 0.22 -0.60 -0.04 0.00 -0.72 0.00 0.00 41.12 39.98 1psw n ASP 119 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1psw s VAL 120 N -2.89 3.50 -0.17 5.18 0.11 -1.25 -3.34 120.40 121.54 1psw s VAL 120 Ca 0.42 1.32 -0.02 0.00 -2.93 0.00 0.00 61.98 60.77 1psw s VAL 120 Cb 0.34 -3.84 -0.01 0.00 -1.53 0.00 0.00 36.38 31.33 1psw s VAL 120 CO -0.09 0.24 -0.09 -0.13 -3.33 0.00 0.00 175.10 171.70 1psw s ARG 121 N -0.60 3.41 -0.22 1.54 1.81 -0.78 -4.92 118.95 119.20 1psw s ARG 121 Ca 0.51 -0.64 -0.25 0.00 -1.72 0.00 0.00 55.73 53.62 1psw s ARG 121 Cb -0.33 -2.82 -0.01 0.00 -0.45 0.00 0.00 34.95 31.35 1psw s ARG 121 CO 0.39 0.04 0.84 0.08 -0.68 0.00 0.00 175.30 175.97 1psw s VAL 122 N 0.82 4.84 -0.08 3.52 1.01 -1.26 -1.14 120.40 128.11 1psw s VAL 122 Ca -0.03 1.62 -0.26 0.00 0.00 0.00 0.00 61.98 63.30 1psw s VAL 122 Cb -0.15 -4.13 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 1psw s VAL 122 CO 0.01 -0.04 0.84 -0.22 0.00 0.00 0.00 175.10 175.68 1psw s LEU 123 N 2.62 4.29 -0.51 3.92 2.96 -1.26 -5.01 118.68 125.69 1psw s LEU 123 Ca 0.36 1.35 -0.03 0.00 -0.22 0.00 0.00 54.13 55.60 1psw s LEU 123 Cb -0.16 -3.30 0.13 0.00 0.50 0.00 0.00 46.19 43.37 1psw s LEU 123 CO 0.09 -0.25 0.31 -0.62 -1.32 0.00 0.00 176.35 174.55 1psw s ASP 124 N 0.97 5.23 0.45 3.68 -1.08 -1.26 -4.98 116.67 119.68 1psw s ASP 124 Ca 0.43 -2.41 0.25 0.00 -0.52 0.00 0.00 52.55 50.29 1psw s ASP 124 Cb -0.18 -1.84 1.26 0.00 -1.46 0.00 0.00 42.92 40.70 1psw s ASP 124 CO 0.20 -0.46 1.78 0.11 0.52 0.00 0.00 175.17 177.31 1psw h LYS 125 N 7.57 0.25 0.00 4.34 1.57 -1.95 0.22 116.57 128.57 1psw h LYS 125 Ca -0.08 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.59 1psw h LYS 125 Cb 1.00 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 1psw h LYS 125 CO 0.71 0.16 -0.46 0.93 -0.57 0.00 0.00 179.45 180.22 1psw h GLU 126 N 0.25 0.00 0.00 3.15 5.08 -1.99 -3.14 114.58 117.94 1psw h GLU 126 Ca 0.59 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.95 1psw h GLU 126 Cb 1.77 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.02 1psw h GLU 126 CO -0.21 0.46 -0.33 0.00 -1.00 0.00 0.00 179.01 177.93 1psw h ALA 127 N 1.54 0.83 -2.43 3.43 0.00 -0.92 -3.39 119.26 118.32 1psw h ALA 127 Ca -0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.31 1psw h ALA 127 Cb 1.19 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 18.59 1psw h ALA 127 CO 0.06 0.00 -0.91 0.91 0.00 0.00 0.00 179.25 179.31 1psw n TRP 128 N -2.87 -0.02 0.22 0.00 7.02 -0.85 -1.40 117.44 119.54 1psw n TRP 128 Ca 0.03 -3.53 0.07 0.00 -1.02 0.00 0.00 57.50 53.04 1psw n TRP 128 Cb 0.53 0.02 0.49 0.00 -2.42 0.00 0.00 31.31 29.92 1psw n TRP 128 CO 0.00 0.00 0.00 -1.00 -2.02 0.00 0.00 177.69 174.67 1psw h PRO 129 N 5.34 0.00 0.00 -0.99 0.13 -1.75 -3.44 132.00 131.28 1psw h PRO 129 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 1psw h PRO 129 Cb 0.87 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.00 1psw h PRO 129 CO 0.45 0.27 0.00 1.28 -0.23 0.00 0.00 178.00 179.77 1psw n LEU 130 N -3.86 0.00 0.00 1.56 4.77 -1.26 -4.40 117.00 113.82 1psw n LEU 130 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1psw n LEU 130 Cb 0.35 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1psw n LEU 130 CO 0.35 0.00 0.00 0.55 -1.33 0.00 0.00 177.39 176.96 1psw n VAL 132 N 0.00 0.00 -0.12 4.08 3.14 -1.26 -2.23 118.33 121.93 1psw n VAL 132 Ca 0.00 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.29 1psw n VAL 132 Cb 0.00 0.00 0.05 0.00 -1.06 0.00 0.00 33.84 32.83 1psw n VAL 132 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 1psw h GLU 133 N 0.00 0.88 -0.52 1.45 5.08 -1.95 -1.89 114.58 117.62 1psw h GLU 133 Ca 0.00 -0.35 -0.06 0.00 -1.00 0.00 0.00 59.36 57.95 1psw h GLU 133 Cb 0.00 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1psw h GLU 133 CO 0.00 1.00 0.10 0.00 -1.00 0.00 0.00 179.01 179.10 1psw h ARG 134 N 0.76 0.81 -0.06 2.33 3.08 -1.77 -0.50 114.38 119.03 1psw h ARG 134 Ca 0.11 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 1psw h ARG 134 Cb 0.74 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1psw h ARG 134 CO 0.06 0.75 -0.12 1.88 -1.07 0.00 0.00 179.97 181.47 1psw h TYR 135 N 0.78 0.24 -0.81 3.04 0.05 -1.83 -3.26 116.97 115.17 1psw h TYR 135 Ca 0.17 -0.09 0.05 0.00 0.05 0.00 0.00 58.73 58.91 1psw h TYR 135 Cb 0.33 -0.05 -0.05 0.00 1.01 0.00 0.00 36.73 37.97 1psw h TYR 135 CO 0.02 0.71 0.51 0.82 -1.05 0.00 0.00 178.16 179.17 1psw h ILE 136 N -0.30 1.08 -0.45 -2.88 2.04 -1.20 -2.42 117.51 113.38 1psw h ILE 136 Ca 0.00 -0.33 0.13 0.00 1.00 0.00 0.00 64.86 65.67 1psw h ILE 136 Cb 0.70 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 1psw h ILE 136 CO 0.03 0.17 0.35 0.00 0.00 0.00 0.00 178.15 178.70 1psw h ALA 137 N 1.36 2.36 0.00 1.87 0.00 -1.13 -1.85 119.26 121.87 1psw h ALA 137 Ca 0.34 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 1psw h ALA 137 Cb 0.09 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1psw h ALA 137 CO -0.14 -0.58 -0.01 -0.07 0.00 0.00 0.00 179.25 178.45 1psw h LEU 138 N 0.00 0.00 0.00 0.00 3.38 -1.51 -2.13 115.31 115.05 1psw h LEU 138 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 1psw h LEU 138 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1psw h LEU 138 CO -0.00 0.01 0.00 0.00 0.09 0.00 0.00 178.44 178.53 1psw n ALA 139 N -2.09 2.31 -2.74 1.53 0.00 -0.69 -4.81 120.51 114.02 1psw n ALA 139 Ca -0.01 -0.12 -0.24 0.00 0.00 0.00 0.00 53.44 53.08 1psw n ALA 139 Cb 0.21 -1.43 -0.06 0.00 0.00 0.00 0.00 19.45 18.17 1psw n ALA 139 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1psw s TYR 140 N -2.67 2.94 0.49 0.00 2.02 -0.80 -4.98 117.35 114.34 1psw s TYR 140 Ca 0.22 -0.14 -0.24 0.00 -0.37 0.00 0.00 57.07 56.55 1psw s TYR 140 Cb 0.18 -1.34 -0.07 0.00 -0.40 0.00 0.00 41.96 40.33 1psw s TYR 140 CO 0.43 0.55 1.37 -0.51 -1.57 0.00 0.00 175.55 175.82 1psw s ASP 141 N -3.54 5.67 0.00 2.29 1.01 -1.26 -4.96 116.67 115.88 1psw s ASP 141 Ca 0.31 2.79 0.00 0.00 0.71 0.00 0.00 52.55 56.36 1psw s ASP 141 Cb -0.08 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.21 1psw s ASP 141 CO 0.22 -1.30 0.96 1.17 0.21 0.00 0.00 175.17 176.42 1psw n LYS 142 N -0.55 0.00 -0.59 8.23 4.81 -1.26 -2.84 118.16 125.96 1psw n LYS 142 Ca 0.07 0.82 -0.06 0.00 -0.87 0.00 0.00 58.31 58.27 1psw n LYS 142 Cb 0.44 -1.46 -0.09 0.00 0.02 0.00 0.00 35.03 33.94 1psw n LYS 142 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1psw n GLY 143 N -0.99 2.21 0.37 3.14 0.00 -1.26 -4.88 105.19 103.78 1psw n GLY 143 Ca 0.00 -0.64 0.06 0.00 0.00 0.00 0.00 46.02 45.44 1psw n GLY 143 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1psw n ILE 144 N 2.47 1.09 0.00 -0.61 2.08 -1.13 -5.25 119.36 118.01 1psw n ILE 144 Ca 0.23 -1.42 0.00 0.00 0.56 0.00 0.00 62.75 62.12 1psw n ILE 144 Cb 0.55 0.12 0.00 0.00 -0.75 0.00 0.00 39.64 39.56 1psw n ILE 144 CO 0.00 0.00 0.00 -2.11 0.56 0.00 0.00 176.55 175.00 1psw n ARG 146 N -0.75 0.00 -4.17 0.38 1.85 -1.26 -5.03 116.66 107.67 1psw n ARG 146 Ca 0.10 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.84 1psw n ARG 146 Cb 0.70 0.00 -0.10 0.00 -1.05 0.00 0.00 32.46 32.01 1psw n ARG 146 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1psw s THR 147 N -0.57 0.13 0.50 8.89 -4.23 -1.26 -4.86 115.64 114.23 1psw s THR 147 Ca 0.00 -1.94 0.36 0.00 -1.18 0.00 0.00 61.69 58.93 1psw s THR 147 Cb 0.00 -2.19 0.38 0.00 1.34 0.00 0.00 72.50 72.03 1psw s THR 147 CO 0.00 -0.33 2.21 0.00 -0.54 0.00 0.00 174.62 175.97 1psw h ALA 148 N 2.77 1.17 0.00 3.99 0.00 -1.62 -1.91 119.26 123.65 1psw h ALA 148 Ca -0.36 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1psw h ALA 148 Cb 1.21 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 1psw h ALA 148 CO 0.58 0.04 -0.07 0.37 0.00 0.00 0.00 179.25 180.17 1psw h GLN 149 N 0.00 0.00 0.00 0.00 5.75 -1.96 -2.25 115.11 116.64 1psw h GLN 149 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1psw h GLN 149 Cb 0.17 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.72 1psw h GLN 149 CO 0.00 0.07 0.00 -0.25 -2.65 0.00 0.00 178.83 176.00 1psw n ASP 150 N -3.30 0.80 -4.71 -0.69 8.00 -0.72 -4.85 116.55 111.08 1psw n ASP 150 Ca -0.01 0.59 -0.42 0.00 0.71 0.00 0.00 54.79 55.66 1psw n ASP 150 Cb 0.26 -0.80 -0.03 0.00 -0.02 0.00 0.00 41.12 40.53 1psw n ASP 150 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1psw s LEU 151 N -4.54 4.37 0.20 0.64 1.43 -0.85 -4.92 118.68 115.01 1psw s LEU 151 Ca 0.10 2.62 -0.33 0.00 -1.03 0.00 0.00 54.13 55.48 1psw s LEU 151 Cb 0.12 -3.59 -0.13 0.00 0.03 0.00 0.00 46.19 42.61 1psw s LEU 151 CO 0.56 -0.84 1.56 -2.65 0.23 0.00 0.00 176.35 175.21 1psw n PRO 152 N 4.20 2.24 -4.00 1.29 -0.02 -1.26 -4.97 135.00 132.47 1psw n PRO 152 Ca 0.14 0.80 -0.28 0.00 -2.02 0.00 0.00 63.50 62.14 1psw n PRO 152 Cb 0.39 -2.56 -0.05 0.00 -0.02 0.00 0.00 33.50 31.26 1psw n PRO 152 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1psw s GLN 153 N 0.51 3.16 0.48 -0.52 -1.52 -1.26 -4.16 119.66 116.35 1psw s GLN 153 Ca 0.75 -0.66 -0.18 0.00 -1.95 0.00 0.00 55.36 53.31 1psw s GLN 153 Cb -0.64 -2.84 -0.09 0.00 -0.22 0.00 0.00 33.01 29.22 1psw s GLN 153 CO 0.41 0.54 0.97 -1.25 -0.25 0.00 0.00 175.29 175.71 1psw s PRO 154 N -2.85 4.05 0.48 2.91 0.04 -1.26 -5.13 135.00 133.24 1psw s PRO 154 Ca 0.32 1.04 -0.21 0.00 0.04 0.00 0.00 61.00 62.19 1psw s PRO 154 Cb -0.11 -2.15 -0.08 0.00 0.04 0.00 0.00 34.50 32.20 1psw s PRO 154 CO 0.25 -0.18 1.07 -0.51 0.04 0.00 0.00 177.00 177.68 1psw s LEU 155 N -3.69 3.89 -0.57 -3.56 1.43 -1.26 -4.98 118.68 109.94 1psw s LEU 155 Ca 0.60 2.04 -0.20 0.00 -1.03 0.00 0.00 54.13 55.54 1psw s LEU 155 Cb -0.10 -4.47 0.08 0.00 0.03 0.00 0.00 46.19 41.73 1psw s LEU 155 CO 0.23 -0.84 0.74 -0.76 0.23 0.00 0.00 176.35 175.95 1psw s LEU 156 N -3.37 5.01 0.68 1.79 1.43 -1.26 -5.04 118.68 117.92 1psw s LEU 156 Ca 0.67 -1.13 -0.11 0.00 -1.03 0.00 0.00 54.13 52.52 1psw s LEU 156 Cb -0.20 -2.40 -0.00 0.00 0.03 0.00 0.00 46.19 43.62 1psw s LEU 156 CO 0.24 -1.11 1.05 0.26 0.23 0.00 0.00 176.35 177.03 1psw s TRP 157 N 2.98 3.21 0.60 0.29 0.51 -1.26 -4.40 118.94 120.87 1psw s TRP 157 Ca 0.15 1.39 -0.20 0.00 -2.12 0.00 0.00 56.10 55.33 1psw s TRP 157 Cb -0.21 -2.85 -0.03 0.00 -0.81 0.00 0.00 33.47 29.57 1psw s TRP 157 CO 0.09 -1.13 1.30 -2.30 -0.51 0.00 0.00 176.95 174.40 1psw n PRO 158 N -3.06 1.34 -3.66 4.98 -0.02 -1.26 -4.78 135.00 128.54 1psw n PRO 158 Ca 0.07 0.51 -0.08 0.00 -2.02 0.00 0.00 63.50 61.98 1psw n PRO 158 Cb 0.54 -2.53 -0.08 0.00 -0.02 0.00 0.00 33.50 31.41 1psw n PRO 158 CO 0.00 0.00 0.00 -1.14 1.98 0.00 0.00 175.50 176.34 1psw s GLN 159 N -3.12 0.62 0.04 -0.52 0.74 -1.26 -4.62 119.66 111.53 1psw s GLN 159 Ca 0.78 1.09 0.06 0.00 0.05 0.00 0.00 55.36 57.34 1psw s GLN 159 Cb -0.40 0.10 -0.02 0.00 1.10 0.00 0.00 33.01 33.79 1psw s GLN 159 CO 0.44 -0.15 -0.17 -0.51 -0.55 0.00 0.00 175.29 174.35 1psw s LEU 160 N 1.53 2.17 0.06 3.68 1.43 -0.80 -4.97 118.68 121.78 1psw s LEU 160 Ca -0.10 -0.48 0.08 0.00 -1.03 0.00 0.00 54.13 52.60 1psw s LEU 160 Cb -0.06 -0.79 -0.03 0.00 0.03 0.00 0.00 46.19 45.34 1psw s LEU 160 CO -0.17 0.10 -0.23 -1.10 0.23 0.00 0.00 176.35 175.18 1psw s GLN 161 N -1.13 1.43 -0.04 1.70 -1.52 -1.26 -4.49 119.66 114.34 1psw s GLN 161 Ca 0.05 -1.06 -0.02 0.00 -1.95 0.00 0.00 55.36 52.38 1psw s GLN 161 Cb -0.08 -1.62 0.03 0.00 -0.22 0.00 0.00 33.01 31.12 1psw s GLN 161 CO 0.01 0.41 0.08 0.08 -0.25 0.00 0.00 175.29 175.62 1psw s VAL 162 N -0.89 -0.05 0.59 1.09 1.01 -1.26 -5.08 120.40 115.82 1psw s VAL 162 Ca 0.09 0.17 -0.08 0.00 0.00 0.00 0.00 61.98 62.16 1psw s VAL 162 Cb -0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 36.38 36.13 1psw s VAL 162 CO 0.03 0.07 0.94 -0.94 0.00 0.00 0.00 175.10 175.19 1psw s SER 163 N 0.95 5.84 0.30 3.32 1.04 -1.26 -4.96 113.70 118.94 1psw s SER 163 Ca -0.08 0.97 0.02 0.00 0.48 0.00 0.00 55.95 57.35 1psw s SER 163 Cb -0.10 -2.02 0.49 0.00 0.10 0.00 0.00 66.02 64.49 1psw s SER 163 CO -0.04 -0.97 1.82 -0.33 0.98 0.00 0.00 173.24 174.71 1psw h GLU 164 N -0.20 0.63 -0.71 4.02 4.39 -2.02 -2.20 114.58 118.50 1psw h GLU 164 Ca -0.45 -0.15 -0.03 0.00 0.34 0.00 0.00 59.36 59.06 1psw h GLU 164 Cb 1.23 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.77 1psw h GLU 164 CO 0.62 0.65 0.32 0.78 -1.16 0.00 0.00 179.01 180.22 1psw h GLY 165 N 0.91 1.10 0.84 -3.84 0.00 -1.99 0.28 103.07 100.37 1psw h GLY 165 Ca 0.12 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 1psw h GLY 165 CO 0.01 0.54 0.03 0.83 0.00 0.00 0.00 176.54 177.95 1psw h GLU 166 N 0.99 0.15 -0.57 4.80 5.08 -1.86 -1.99 114.58 121.18 1psw h GLU 166 Ca 0.24 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.60 1psw h GLU 166 Cb 0.15 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 1psw h GLU 166 CO -0.03 0.29 0.34 0.87 -1.00 0.00 0.00 179.01 179.49 1psw h LYS 167 N -0.02 0.64 0.36 2.33 1.57 -1.18 -1.51 116.57 118.77 1psw h LYS 167 Ca 0.03 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1psw h LYS 167 Cb 0.20 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1psw h LYS 167 CO -0.00 0.43 -0.27 1.03 -0.57 0.00 0.00 179.45 180.06 1psw h SER 168 N 0.66 -0.70 -0.23 0.86 0.87 -0.79 -1.32 113.55 112.90 1psw h SER 168 Ca 0.24 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.84 1psw h SER 168 Cb 0.05 0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 1psw h SER 168 CO -0.11 -0.41 0.10 0.22 -0.53 0.00 0.00 176.83 176.10 1psw h TYR 169 N -0.63 0.34 -0.54 2.24 3.20 -1.28 -2.86 116.97 117.45 1psw h TYR 169 Ca -0.03 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 1psw h TYR 169 Cb 0.54 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.68 1psw h TYR 169 CO -0.13 0.35 0.30 1.15 -1.64 0.00 0.00 178.16 178.19 1psw h THR 170 N 0.24 1.17 -0.74 1.81 2.02 -1.25 0.19 112.91 116.35 1psw h THR 170 Ca 0.08 -0.42 -0.06 0.00 0.77 0.00 0.00 66.41 66.79 1psw h THR 170 Cb 0.14 0.44 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 1psw h THR 170 CO -0.01 0.18 0.24 0.00 0.37 0.00 0.00 175.52 176.31 1psw h ASN 172 N 1.09 0.57 -0.08 0.00 2.35 -1.03 0.41 115.58 118.88 1psw h ASN 172 Ca 0.24 -0.30 0.02 0.00 -0.55 0.00 0.00 56.30 55.71 1psw h ASN 172 Cb 0.28 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 1psw h ASN 172 CO -0.01 1.00 0.07 -0.61 -1.65 0.00 0.00 177.43 176.23 1psw h GLN 173 N 0.39 0.00 -0.37 0.81 4.15 -0.19 -1.34 115.11 118.56 1psw h GLN 173 Ca 0.01 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.35 1psw h GLN 173 Cb 1.08 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.73 1psw h GLN 173 CO 0.10 0.00 0.03 1.19 -1.93 0.00 0.00 178.83 178.22 1psw n PHE 174 N -4.19 1.28 -3.91 3.99 3.72 -0.88 -4.97 117.46 112.51 1psw n PHE 174 Ca -0.01 -1.07 -0.30 0.00 -0.05 0.00 0.00 57.45 56.02 1psw n PHE 174 Cb 0.18 -0.42 0.03 0.00 -0.94 0.00 0.00 39.48 38.32 1psw n PHE 174 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1psw n SER 175 N -0.53 -4.85 -4.84 4.37 7.64 -0.50 -4.97 113.62 109.93 1psw n SER 175 Ca 0.27 -0.77 -0.38 0.00 1.01 0.00 0.00 58.87 59.00 1psw n SER 175 Cb 1.02 -3.91 -0.06 0.00 -1.01 0.00 0.00 64.21 60.25 1psw n SER 175 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1psw s LEU 176 N -7.29 4.43 0.25 -3.43 1.43 0.12 -5.03 118.68 109.16 1psw s LEU 176 Ca 0.66 0.78 -0.22 0.00 -1.03 0.00 0.00 54.13 54.33 1psw s LEU 176 Cb -0.33 -2.42 -0.09 0.00 0.03 0.00 0.00 46.19 43.39 1psw s LEU 176 CO 0.83 0.33 0.79 -0.55 0.23 0.00 0.00 176.35 177.98 1psw s SER 177 N -0.94 7.16 0.00 2.29 0.15 -1.26 -4.51 113.70 116.60 1psw s SER 177 Ca 0.21 1.55 0.23 0.00 0.70 0.00 0.00 55.95 58.64 1psw s SER 177 Cb -0.15 -2.47 0.54 0.00 -1.71 0.00 0.00 66.02 62.23 1psw s SER 177 CO 0.10 0.02 1.45 -1.20 1.20 0.00 0.00 173.24 174.81 1psw n SER 178 N 0.74 2.62 0.00 5.45 7.64 -1.26 -4.24 113.62 124.58 1psw n SER 178 Ca -0.01 -1.86 0.09 0.00 1.01 0.00 0.00 58.87 58.10 1psw n SER 178 Cb 0.51 -0.12 0.40 0.00 -1.01 0.00 0.00 64.21 63.99 1psw n SER 178 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1psw n GLU 179 N 0.98 0.11 -3.71 1.43 1.02 -1.26 -4.75 120.64 114.47 1psw n GLU 179 Ca 0.17 0.17 -0.14 0.00 -0.02 0.00 0.00 57.16 57.34 1psw n GLU 179 Cb 0.50 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.33 1psw n GLU 179 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1psw s ARG 180 N -2.81 0.59 0.00 3.49 0.52 -1.26 -5.12 118.95 114.36 1psw s ARG 180 Ca 0.12 0.53 0.00 0.00 -0.52 0.00 0.00 55.73 55.87 1psw s ARG 180 Cb 0.12 0.28 0.00 0.00 0.52 0.00 0.00 34.95 35.87 1psw s ARG 180 CO 0.30 -0.09 0.00 -0.35 0.02 0.00 0.00 175.30 175.17 1psw n PRO 181 N 2.54 1.04 -3.64 3.54 -0.04 -1.26 -4.69 135.00 132.50 1psw n PRO 181 Ca -0.15 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.27 1psw n PRO 181 Cb 0.57 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.96 1psw n PRO 181 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1psw s ILE 183 N 0.00 0.00 -0.08 0.52 -1.09 -0.27 -1.22 121.20 119.05 1psw s ILE 183 Ca 0.00 0.00 -0.03 0.00 -2.23 0.00 0.00 60.65 58.39 1psw s ILE 183 Cb 0.00 -1.00 -0.04 0.00 -1.58 0.00 0.00 42.46 39.84 1psw s ILE 183 CO 0.00 0.00 0.04 -0.83 -1.23 0.00 0.00 174.94 172.92 1psw s GLY 184 N 1.01 1.94 0.01 6.18 0.00 -0.43 -1.44 107.32 114.59 1psw s GLY 184 Ca -0.05 -0.78 0.07 0.00 0.00 0.00 0.00 44.72 43.96 1psw s GLY 184 CO -0.13 -0.55 -0.20 -1.36 0.00 0.00 0.00 173.10 170.87 1psw s PHE 185 N -0.96 2.52 -0.55 1.90 0.08 0.60 -0.99 117.98 120.58 1psw s PHE 185 Ca 0.15 -0.28 0.05 0.00 0.12 0.00 0.00 56.93 56.96 1psw s PHE 185 Cb -0.12 -1.50 0.18 0.00 -0.57 0.00 0.00 43.02 41.02 1psw s PHE 185 CO 0.04 0.17 0.46 0.00 -0.10 0.00 0.00 175.22 175.79 1psw n PRO 187 N 2.16 0.12 -1.22 0.00 -0.04 -1.26 -3.43 135.00 131.32 1psw n PRO 187 Ca 0.25 0.38 -0.14 0.00 -0.04 0.00 0.00 63.50 63.94 1psw n PRO 187 Cb 0.42 -1.73 0.09 0.00 -0.04 0.00 0.00 33.50 32.24 1psw n PRO 187 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1psw n GLY 188 N -0.12 -0.65 3.34 0.55 0.00 -1.26 -4.66 105.19 102.40 1psw n GLY 188 Ca 0.02 -1.79 0.02 0.00 0.00 0.00 0.00 46.02 44.27 1psw n GLY 188 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1psw s ALA 189 N -3.65 -2.87 0.37 4.61 0.00 -1.26 -4.58 121.76 114.37 1psw s ALA 189 Ca 0.38 1.97 0.05 0.00 0.00 0.00 0.00 51.96 54.37 1psw s ALA 189 Cb -0.01 -2.12 0.70 0.00 0.00 0.00 0.00 23.12 21.69 1psw s ALA 189 CO 0.26 -0.93 1.95 0.93 0.00 0.00 0.00 175.76 177.97 1psw h GLU 190 N 7.29 0.53 -0.01 0.00 3.07 -1.97 -2.72 114.58 120.76 1psw h GLU 190 Ca -0.15 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 58.63 1psw h GLU 190 Cb 1.12 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.94 1psw h GLU 190 CO 0.08 0.47 0.00 1.19 -1.40 0.00 0.00 179.01 179.36 1psw n PHE 191 N -4.36 0.00 0.00 4.33 3.01 -1.26 -4.98 117.46 114.20 1psw n PHE 191 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.48 1psw n PHE 191 Cb 0.17 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.64 1psw n PHE 191 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1psw n GLY 192 N 0.36 2.22 0.39 1.37 0.00 -1.03 -4.77 105.19 103.73 1psw n GLY 192 Ca 0.00 -1.98 0.17 0.00 0.00 0.00 0.00 46.02 44.21 1psw n GLY 192 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1psw h PRO 193 N 0.00 0.46 -0.28 1.61 0.11 -1.86 -2.19 132.00 129.86 1psw h PRO 193 Ca 0.00 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 66.16 1psw h PRO 193 Cb 0.00 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.00 1psw h PRO 193 CO 0.00 0.30 0.25 0.00 -0.21 0.00 0.00 178.00 178.35 1psw h ALA 194 N 1.62 2.03 -0.38 -0.75 0.00 -1.85 -0.37 119.26 119.57 1psw h ALA 194 Ca 0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.36 1psw h ALA 194 Cb 1.04 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1psw h ALA 194 CO -0.18 -0.39 0.00 1.63 0.00 0.00 0.00 179.25 180.30 1psw n LYS 195 N -4.01 2.28 -3.57 0.00 5.02 -0.82 -4.01 118.16 113.05 1psw n LYS 195 Ca 0.04 -1.94 -0.37 0.00 -2.02 0.00 0.00 58.31 54.01 1psw n LYS 195 Cb 0.40 -1.47 -0.07 0.00 -0.02 0.00 0.00 35.03 33.88 1psw n LYS 195 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1psw s ARG 196 N -1.51 4.04 0.31 1.97 0.52 -0.15 -4.36 118.95 119.77 1psw s ARG 196 Ca 0.37 0.17 -0.29 0.00 -0.52 0.00 0.00 55.73 55.46 1psw s ARG 196 Cb 0.21 -3.33 -0.10 0.00 0.52 0.00 0.00 34.95 32.25 1psw s ARG 196 CO 0.29 0.44 1.20 -0.46 0.02 0.00 0.00 175.30 176.80 1psw s TRP 197 N -0.19 3.29 0.27 -0.53 -0.00 -1.26 -4.74 118.94 115.78 1psw s TRP 197 Ca 0.19 1.56 -0.29 0.00 -0.00 0.00 0.00 56.10 57.55 1psw s TRP 197 Cb -0.14 -3.47 -0.14 0.00 -0.00 0.00 0.00 33.47 29.72 1psw s TRP 197 CO 0.07 -1.21 1.17 -2.30 -0.00 0.00 0.00 176.95 174.68 1psw n PRO 198 N 0.92 1.61 -0.28 5.86 -0.02 -1.26 -4.84 135.00 136.98 1psw n PRO 198 Ca -0.00 0.57 0.13 0.00 -2.02 0.00 0.00 63.50 62.17 1psw n PRO 198 Cb 0.44 -2.06 0.38 0.00 -0.02 0.00 0.00 33.50 32.23 1psw n PRO 198 CO 0.00 0.00 0.00 1.12 1.98 0.00 0.00 175.50 178.60 1psw h HIS 199 N 2.74 0.84 0.00 6.00 2.07 -1.95 -0.02 115.15 124.83 1psw h HIS 199 Ca -0.42 0.02 -0.08 0.00 -2.85 0.00 0.00 60.37 57.04 1psw h HIS 199 Cb 1.32 -0.26 -0.01 0.00 2.57 0.00 0.00 27.41 31.02 1psw h HIS 199 CO 0.51 0.29 -0.40 0.10 -3.07 0.00 0.00 177.93 175.36 1psw h TYR 200 N 0.69 0.00 -0.25 6.12 -0.00 -1.92 -1.85 116.97 119.76 1psw h TYR 200 Ca 0.47 0.00 -0.18 0.00 0.00 0.00 0.00 58.73 59.03 1psw h TYR 200 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.51 1psw h TYR 200 CO -0.00 0.40 -0.53 0.45 -0.00 0.00 0.00 178.16 178.48 1psw h HIS 201 N 0.00 1.01 -0.59 0.10 3.86 -1.38 -1.69 115.15 116.46 1psw h HIS 201 Ca -0.00 -0.37 -0.03 0.00 -1.16 0.00 0.00 60.37 58.81 1psw h HIS 201 Cb 0.94 -0.18 -0.03 0.00 1.06 0.00 0.00 27.41 29.20 1psw h HIS 201 CO 0.00 1.19 0.26 1.88 0.86 0.00 0.00 177.93 182.12 1psw h TYR 202 N 0.55 0.84 -0.27 2.45 0.05 -1.16 -0.94 116.97 118.47 1psw h TYR 202 Ca 0.00 -0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.72 1psw h TYR 202 Cb 1.14 -0.26 -0.01 0.00 1.01 0.00 0.00 36.73 38.61 1psw h TYR 202 CO 0.08 0.63 0.05 0.00 -1.05 0.00 0.00 178.16 177.87 1psw h ALA 203 N 1.45 0.36 -0.75 3.88 0.00 -1.17 -0.70 119.26 122.34 1psw h ALA 203 Ca 0.20 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1psw h ALA 203 Cb 0.12 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1psw h ALA 203 CO -0.02 0.04 0.44 1.49 0.00 0.00 0.00 179.25 181.20 1psw h GLU 204 N 0.27 1.03 -0.60 0.00 4.57 -1.00 -1.38 114.58 117.46 1psw h GLU 204 Ca 0.08 -0.10 -0.05 0.00 -1.18 0.00 0.00 59.36 58.11 1psw h GLU 204 Cb 0.32 -0.21 -0.03 0.00 -0.16 0.00 0.00 28.75 28.68 1psw h GLU 204 CO 0.00 0.74 0.16 1.25 -1.18 0.00 0.00 179.01 179.99 1psw h LEU 205 N 1.03 0.87 -0.57 1.64 5.85 -0.98 -2.10 115.31 121.04 1psw h LEU 205 Ca 0.27 -0.16 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 1psw h LEU 205 Cb -0.01 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 1psw h LEU 205 CO -0.05 0.83 0.13 0.00 -0.34 0.00 0.00 178.44 179.01 1psw h ALA 206 N 1.28 0.76 -0.68 1.25 0.00 -0.50 -0.91 119.26 120.46 1psw h ALA 206 Ca 0.20 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1psw h ALA 206 Cb 0.29 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1psw h ALA 206 CO -0.00 0.47 0.44 0.87 0.00 0.00 0.00 179.25 181.03 1psw h LYS 207 N 0.83 0.87 -0.60 0.00 1.57 -0.91 0.76 116.57 119.09 1psw h LYS 207 Ca 0.18 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 1psw h LYS 207 Cb 0.37 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 1psw h LYS 207 CO 0.00 0.58 0.16 1.96 -0.57 0.00 0.00 179.45 181.58 1psw h GLN 208 N 0.90 0.96 -0.31 3.15 1.08 -1.12 -1.78 115.11 117.98 1psw h GLN 208 Ca 0.25 -0.22 -0.13 0.00 -1.45 0.00 0.00 58.65 57.10 1psw h GLN 208 Cb -0.08 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 27.21 1psw h GLN 208 CO -0.06 0.87 -0.31 -0.07 -0.95 0.00 0.00 178.83 178.31 1psw h LEU 209 N 0.87 0.81 -1.32 1.46 3.38 -0.73 -2.40 115.31 117.38 1psw h LEU 209 Ca 0.19 -0.47 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 1psw h LEU 209 Cb 0.34 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1psw h LEU 209 CO 0.00 1.12 0.01 0.40 0.09 0.00 0.00 178.44 180.06 1psw h ILE 210 N 0.52 1.18 0.00 1.22 2.04 -0.82 -0.50 117.51 121.15 1psw h ILE 210 Ca 0.05 -0.69 -0.04 0.00 1.00 0.00 0.00 64.86 65.18 1psw h ILE 210 Cb 0.89 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 37.90 1psw h ILE 210 CO 0.08 0.24 -0.19 -0.78 0.00 0.00 0.00 178.15 177.50 1psw h ASP 211 N 0.45 0.00 0.14 1.72 3.58 -1.13 -2.44 116.42 118.73 1psw h ASP 211 Ca 0.10 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.55 1psw h ASP 211 Cb 0.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.33 1psw h ASP 211 CO 0.01 0.19 -0.06 -0.62 -2.88 0.00 0.00 179.24 175.87 1psw n GLU 212 N -3.36 1.11 0.00 0.28 1.02 -0.28 -4.91 120.64 114.51 1psw n GLU 212 Ca 0.00 -0.46 0.00 0.00 -0.02 0.00 0.00 57.16 56.68 1psw n GLU 212 Cb 0.40 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 1psw n GLU 212 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1psw n GLY 213 N 1.19 1.02 3.98 0.62 0.00 -0.92 -5.08 105.19 106.00 1psw n GLY 213 Ca 0.18 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 1psw n GLY 213 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1psw s TYR 214 N -2.00 2.91 0.18 1.61 2.02 -0.70 -4.37 117.35 117.00 1psw s TYR 214 Ca 0.00 -0.34 0.10 0.00 -0.37 0.00 0.00 57.07 56.46 1psw s TYR 214 Cb 0.00 -2.19 -0.04 0.00 -0.40 0.00 0.00 41.96 39.33 1psw s TYR 214 CO 0.00 -0.21 -0.22 1.14 -1.57 0.00 0.00 175.55 174.69 1psw s GLN 215 N -4.25 1.40 0.04 -0.62 -2.07 -0.36 -3.94 119.66 109.86 1psw s GLN 215 Ca 0.50 -1.45 0.07 0.00 -1.82 0.00 0.00 55.36 52.66 1psw s GLN 215 Cb -0.09 -1.64 -0.03 0.00 -1.09 0.00 0.00 33.01 30.16 1psw s GLN 215 CO 0.31 0.35 -0.18 0.08 -1.32 0.00 0.00 175.29 174.53 1psw s VAL 216 N -1.75 2.78 -0.05 3.63 1.01 0.93 -1.11 120.40 125.84 1psw s VAL 216 Ca 0.18 -1.18 0.02 0.00 0.00 0.00 0.00 61.98 61.00 1psw s VAL 216 Cb -0.07 -2.16 0.02 0.00 0.00 0.00 0.00 36.38 34.16 1psw s VAL 216 CO 0.08 0.35 -0.08 -0.69 0.00 0.00 0.00 175.10 174.76 1psw s VAL 217 N -0.91 0.80 -0.22 2.92 1.01 -0.52 -1.05 120.40 122.42 1psw s VAL 217 Ca 0.14 -0.29 -0.09 0.00 0.00 0.00 0.00 61.98 61.74 1psw s VAL 217 Cb -0.10 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.46 1psw s VAL 217 CO 0.05 0.28 0.11 -0.76 0.00 0.00 0.00 175.10 174.78 1psw s LEU 218 N 0.72 3.90 0.10 3.92 1.43 0.31 -0.30 118.68 128.76 1psw s LEU 218 Ca -0.12 0.04 0.06 0.00 -1.03 0.00 0.00 54.13 53.08 1psw s LEU 218 Cb -0.14 -2.03 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 1psw s LEU 218 CO 0.02 0.08 -0.06 -0.36 0.23 0.00 0.00 176.35 176.26 1psw s PHE 219 N 0.94 2.85 -3.32 0.29 0.08 0.37 -0.78 117.98 118.40 1psw s PHE 219 Ca 0.06 -0.10 0.00 0.00 0.12 0.00 0.00 56.93 57.01 1psw s PHE 219 Cb -0.13 -1.48 0.00 0.00 -0.57 0.00 0.00 43.02 40.84 1psw s PHE 219 CO 0.03 0.45 0.00 0.41 -0.10 0.00 0.00 175.22 176.01 1psw n GLY 220 N 0.64 -2.11 3.98 4.36 0.00 -1.26 -4.26 105.19 106.54 1psw n GLY 220 Ca -0.12 -1.19 -0.25 0.00 0.00 0.00 0.00 46.02 44.46 1psw n GLY 220 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1psw s SER 221 N -0.87 4.12 0.41 1.61 1.04 -1.26 -1.27 113.70 117.48 1psw s SER 221 Ca 0.00 -0.29 0.13 0.00 0.48 0.00 0.00 55.95 56.27 1psw s SER 221 Cb 0.00 -0.02 0.97 0.00 0.10 0.00 0.00 66.02 67.06 1psw s SER 221 CO 0.00 -2.02 1.94 0.00 0.98 0.00 0.00 173.24 174.13 1psw h ALA 222 N -0.72 1.98 0.00 5.32 0.00 -1.84 0.23 119.26 124.23 1psw h ALA 222 Ca -0.37 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.48 1psw h ALA 222 Cb 1.26 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1psw h ALA 222 CO 0.39 -0.15 -0.27 0.87 0.00 0.00 0.00 179.25 180.09 1psw h LYS 223 N 0.50 0.00 -0.00 0.00 1.57 -1.93 -2.63 116.57 114.09 1psw h LYS 223 Ca 0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.12 1psw h LYS 223 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1psw h LYS 223 CO -0.11 0.27 -0.09 -0.25 -0.57 0.00 0.00 179.45 178.69 1psw n ASP 224 N -4.07 0.45 -0.13 0.86 8.00 0.05 -4.22 116.55 117.48 1psw n ASP 224 Ca -0.02 -0.60 -0.05 0.00 0.71 0.00 0.00 54.79 54.83 1psw n ASP 224 Cb 0.33 -0.08 0.03 0.00 -0.02 0.00 0.00 41.12 41.38 1psw n ASP 224 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 1psw h HIS 225 N 0.56 0.33 -0.71 1.24 2.76 -1.36 -0.80 115.15 117.17 1psw h HIS 225 Ca 0.00 0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.17 1psw h HIS 225 Cb 0.34 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 29.18 1psw h HIS 225 CO 0.00 0.15 0.37 1.05 -1.30 0.00 0.00 177.93 178.20 1psw h GLU 226 N 0.37 0.99 -0.74 5.26 4.11 -1.80 -0.71 114.58 122.06 1psw h GLU 226 Ca 0.19 -0.12 -0.03 0.00 0.07 0.00 0.00 59.36 59.47 1psw h GLU 226 Cb 0.14 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 1psw h GLU 226 CO -0.16 0.74 0.35 0.00 0.07 0.00 0.00 179.01 180.01 1psw h ALA 227 N 1.41 0.96 -0.72 1.06 0.00 -1.59 -0.55 119.26 119.84 1psw h ALA 227 Ca 0.25 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.96 1psw h ALA 227 Cb 0.06 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 1psw h ALA 227 CO -0.04 0.53 0.28 0.78 0.00 0.00 0.00 179.25 180.80 1psw h GLY 228 N 1.05 1.14 1.55 0.00 0.00 -0.18 -2.31 103.07 104.33 1psw h GLY 228 Ca 0.25 -0.62 -0.13 0.00 0.00 0.00 0.00 47.33 46.84 1psw h GLY 228 CO -0.03 0.58 -0.40 3.43 0.00 0.00 0.00 176.54 180.12 1psw h ASN 229 N 1.04 0.52 0.27 0.19 2.35 -0.57 -2.06 115.58 117.32 1psw h ASN 229 Ca 0.24 -0.23 -0.08 0.00 -0.55 0.00 0.00 56.30 55.68 1psw h ASN 229 Cb 0.21 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.43 1psw h ASN 229 CO -0.02 0.87 -0.34 -0.08 -1.65 0.00 0.00 177.43 176.21 1psw h GLU 230 N 0.41 0.12 -0.08 0.81 4.81 -0.78 -0.51 114.58 119.36 1psw h GLU 230 Ca 0.04 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 1psw h GLU 230 Cb 0.88 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.25 1psw h GLU 230 CO 0.07 0.45 -0.10 0.82 -0.73 0.00 0.00 179.01 179.53 1psw h ILE 231 N 0.11 1.38 -0.64 2.32 2.04 -1.18 -3.21 117.51 118.33 1psw h ILE 231 Ca 0.01 -1.30 -0.01 0.00 1.00 0.00 0.00 64.86 64.56 1psw h ILE 231 Cb 0.66 2.07 -0.03 0.00 -0.74 0.00 0.00 36.82 38.78 1psw h ILE 231 CO 0.05 0.36 0.34 -0.07 0.00 0.00 0.00 178.15 178.83 1psw h LEU 232 N -0.24 0.79 -0.37 1.44 3.38 -1.11 -2.14 115.31 117.05 1psw h LEU 232 Ca 0.01 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1psw h LEU 232 Cb 0.63 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1psw h LEU 232 CO 0.02 0.65 0.00 0.00 0.09 0.00 0.00 178.44 179.20 1psw n ALA 233 N -2.44 1.30 1.18 1.53 0.00 -0.22 -1.56 120.51 120.29 1psw n ALA 233 Ca 0.06 0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.66 1psw n ALA 233 Cb 0.11 -1.18 0.25 0.00 0.00 0.00 0.00 19.45 18.63 1psw n ALA 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1psw n ALA 234 N -1.59 3.08 -2.82 0.00 0.00 -0.80 -4.91 120.51 113.47 1psw n ALA 234 Ca 0.01 -0.51 -0.26 0.00 0.00 0.00 0.00 53.44 52.68 1psw n ALA 234 Cb 0.09 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.49 1psw n ALA 234 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1psw s LEU 235 N -2.36 3.87 0.98 0.00 1.43 -0.60 -5.00 118.68 116.99 1psw s LEU 235 Ca 0.25 -0.10 -0.16 0.00 -1.03 0.00 0.00 54.13 53.09 1psw s LEU 235 Cb 0.19 -2.47 0.21 0.00 0.03 0.00 0.00 46.19 44.15 1psw s LEU 235 CO 0.48 0.06 1.34 0.54 0.23 0.00 0.00 176.35 179.00 1psw s ASN 236 N -3.18 2.96 0.14 2.29 2.20 -1.26 -4.74 114.94 113.34 1psw s ASN 236 Ca 0.32 0.22 -0.18 0.00 -0.94 0.00 0.00 52.86 52.27 1psw s ASN 236 Cb -0.10 -0.21 0.01 0.00 -2.00 0.00 0.00 41.25 38.94 1psw s ASN 236 CO 0.24 -2.83 1.76 0.74 -2.94 0.00 0.00 177.10 174.08 1psw h THR 237 N -1.71 0.97 -0.84 0.54 2.02 -1.98 0.14 112.91 112.04 1psw h THR 237 Ca -0.44 -0.10 0.02 0.00 0.77 0.00 0.00 66.41 66.66 1psw h THR 237 Cb 1.22 0.66 -0.05 0.00 -1.74 0.00 0.00 68.15 68.25 1psw h THR 237 CO 0.35 0.05 0.55 -0.33 0.37 0.00 0.00 175.52 176.52 1psw h GLU 238 N 0.29 1.08 -0.17 6.66 3.07 -2.01 -2.76 114.58 120.74 1psw h GLU 238 Ca 0.13 -0.06 -0.21 0.00 -0.50 0.00 0.00 59.36 58.71 1psw h GLU 238 Cb 0.06 -0.24 0.01 0.00 -0.84 0.00 0.00 28.75 27.73 1psw h GLU 238 CO -0.10 0.71 -0.72 1.96 -1.40 0.00 0.00 179.01 179.46 1psw h GLN 239 N 1.11 0.74 -0.01 2.33 4.20 -1.86 -3.09 115.11 118.53 1psw h GLN 239 Ca 0.32 -0.57 0.00 0.00 0.06 0.00 0.00 58.65 58.46 1psw h GLN 239 Cb -0.08 0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 1psw h GLN 239 CO -0.08 1.19 0.01 1.96 -0.67 0.00 0.00 178.83 181.23 1psw h GLN 240 N 0.52 0.00 0.00 1.46 4.20 -0.70 0.91 115.11 121.50 1psw h GLN 240 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 1psw h GLN 240 Cb 1.34 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.12 1psw h GLN 240 CO 0.15 0.00 0.00 0.00 -0.67 0.00 0.00 178.83 178.31 1psw n ALA 241 N -2.24 1.71 -1.17 3.87 0.00 -1.07 -2.63 120.51 118.98 1psw n ALA 241 Ca -0.03 0.08 0.08 0.00 0.00 0.00 0.00 53.44 53.57 1psw n ALA 241 Cb 0.09 -1.40 0.18 0.00 0.00 0.00 0.00 19.45 18.32 1psw n ALA 241 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1psw n TRP 242 N -2.28 0.28 -3.67 0.00 7.02 0.31 -4.94 117.44 114.16 1psw n TRP 242 Ca 0.02 -1.11 -0.23 0.00 -1.02 0.00 0.00 57.50 55.16 1psw n TRP 242 Cb 0.25 -0.23 -0.17 0.00 -2.42 0.00 0.00 31.31 28.74 1psw n TRP 242 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1psw s ARG 244 N 2.10 3.53 -0.55 0.00 3.52 -0.22 -4.89 118.95 122.44 1psw s ARG 244 Ca 0.03 -0.60 -0.19 0.00 -0.13 0.00 0.00 55.73 54.84 1psw s ARG 244 Cb -0.14 -2.77 0.08 0.00 -1.56 0.00 0.00 34.95 30.55 1psw s ARG 244 CO -0.06 0.24 0.67 1.21 -0.81 0.00 0.00 175.30 176.55 1psw s ASN 245 N 0.34 6.21 0.00 -2.12 2.47 -1.26 -0.53 114.94 120.05 1psw s ASN 245 Ca -0.07 -1.12 0.19 0.00 0.42 0.00 0.00 52.86 52.28 1psw s ASN 245 Cb -0.15 -2.30 0.50 0.00 -1.45 0.00 0.00 41.25 37.85 1psw s ASN 245 CO 0.04 -1.01 1.42 0.18 -3.72 0.00 0.00 177.10 174.02 1psw n LEU 246 N 6.31 3.54 -4.68 3.21 4.77 0.04 -4.90 117.00 125.29 1psw n LEU 246 Ca -0.08 -1.91 -0.42 0.00 -0.03 0.00 0.00 56.01 53.58 1psw n LEU 246 Cb 0.44 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 1psw n LEU 246 CO 0.56 0.87 1.46 0.00 -1.33 0.00 0.00 177.39 178.95 1psw s ALA 247 N -1.06 3.66 0.00 -1.18 0.00 -1.11 -1.23 121.76 120.84 1psw s ALA 247 Ca 0.39 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.61 1psw s ALA 247 Cb 0.21 -3.77 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1psw s ALA 247 CO 0.27 -1.33 0.00 0.41 0.00 0.00 0.00 175.76 175.11 1psw n GLY 248 N 4.25 1.24 0.01 0.00 0.00 -0.39 -4.38 105.19 105.93 1psw n GLY 248 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 1psw n GLY 248 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1psw n GLU 249 N -2.00 0.36 -4.35 1.61 -0.58 -0.37 -4.71 120.64 110.60 1psw n GLU 249 Ca 0.00 -0.08 -0.25 0.00 -0.42 0.00 0.00 57.16 56.41 1psw n GLU 249 Cb 0.00 -1.54 -0.09 0.00 -0.57 0.00 0.00 31.44 29.24 1psw n GLU 249 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1psw s THR 250 N -3.27 3.03 0.31 2.62 -4.23 -1.24 -5.12 115.64 107.74 1psw s THR 250 Ca 0.00 -1.97 0.02 0.00 -1.18 0.00 0.00 61.69 58.56 1psw s THR 250 Cb 0.15 -2.56 -0.03 0.00 1.34 0.00 0.00 72.50 71.39 1psw s THR 250 CO 0.87 -0.27 0.49 -1.10 -0.54 0.00 0.00 174.62 174.06 1psw s GLN 251 N -3.28 3.47 0.40 3.99 -1.52 -1.26 -4.90 119.66 116.57 1psw s GLN 251 Ca 0.28 -0.45 0.14 0.00 -1.95 0.00 0.00 55.36 53.38 1psw s GLN 251 Cb -0.07 -2.73 0.98 0.00 -0.22 0.00 0.00 33.01 30.97 1psw s GLN 251 CO 0.16 0.24 1.88 -0.07 -0.25 0.00 0.00 175.29 177.25 1psw h LEU 252 N 0.91 0.49 -0.63 2.90 3.38 -1.91 -0.40 115.31 120.05 1psw h LEU 252 Ca -0.50 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.40 1psw h LEU 252 Cb 1.22 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 1psw h LEU 252 CO 0.61 0.23 -0.02 -2.24 0.09 0.00 0.00 178.44 177.11 1psw h ASP 253 N 0.51 1.03 0.03 -0.43 2.03 -1.95 -0.24 116.42 117.40 1psw h ASP 253 Ca 0.43 -0.30 -0.15 0.00 -0.73 0.00 0.00 57.03 56.28 1psw h ASP 253 Cb 0.91 -0.28 -0.01 0.00 -0.83 0.00 0.00 39.33 39.13 1psw h ASP 253 CO -0.17 1.09 -0.50 1.56 -1.03 0.00 0.00 179.24 180.19 1psw h GLN 254 N 0.95 0.53 -0.57 4.15 4.20 -1.55 -2.59 115.11 120.23 1psw h GLN 254 Ca 0.16 -0.31 -0.03 0.00 0.06 0.00 0.00 58.65 58.54 1psw h GLN 254 Cb 0.58 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.36 1psw h GLN 254 CO 0.03 0.91 0.25 0.00 -0.67 0.00 0.00 178.83 179.35 1psw h ALA 255 N 1.04 0.73 -0.34 3.87 0.00 -0.79 -1.11 119.26 122.67 1psw h ALA 255 Ca 0.02 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1psw h ALA 255 Cb 1.02 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1psw h ALA 255 CO 0.09 0.32 0.15 0.28 0.00 0.00 0.00 179.25 180.10 1psw h VAL 256 N 0.77 0.95 -0.03 0.00 2.07 -0.89 -0.31 116.25 118.81 1psw h VAL 256 Ca 0.19 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 1psw h VAL 256 Cb 0.16 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.54 1psw h VAL 256 CO -0.02 0.06 0.02 0.40 0.02 0.00 0.00 177.57 178.04 1psw h ILE 257 N 0.31 1.05 -0.76 4.57 2.04 -1.23 -1.85 117.51 121.64 1psw h ILE 257 Ca 0.15 -0.15 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 1psw h ILE 257 Cb 0.08 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1psw h ILE 257 CO -0.12 0.04 0.28 -0.07 0.00 0.00 0.00 178.15 178.29 1psw h LEU 258 N -0.02 1.06 -0.73 1.44 3.38 -1.00 -2.00 115.31 117.44 1psw h LEU 258 Ca 0.01 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1psw h LEU 258 Cb 0.05 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1psw h LEU 258 CO -0.00 0.95 0.38 0.40 0.09 0.00 0.00 178.44 180.27 1psw h ILE 259 N 1.11 1.23 -0.12 1.22 2.04 -0.98 -1.83 117.51 120.18 1psw h ILE 259 Ca 0.25 -0.60 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 1psw h ILE 259 Cb 0.24 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1psw h ILE 259 CO -0.02 0.26 0.03 0.00 0.00 0.00 0.00 178.15 178.42 1psw h ALA 260 N 1.19 1.83 0.00 1.87 0.00 -0.71 -1.67 119.26 121.78 1psw h ALA 260 Ca 0.26 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1psw h ALA 260 Cb 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1psw h ALA 260 CO -0.04 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.35 1psw n ALA 261 N -2.51 2.22 -1.84 0.00 0.00 -0.71 -4.85 120.51 112.81 1psw n ALA 261 Ca -0.01 -0.09 -0.36 0.00 0.00 0.00 0.00 53.44 52.98 1psw n ALA 261 Cb 0.12 -1.43 -0.06 0.00 0.00 0.00 0.00 19.45 18.08 1psw n ALA 261 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1psw h LYS 263 N 2.98 0.00 -2.60 0.00 1.79 -1.88 -3.47 116.57 113.39 1psw h LYS 263 Ca -0.47 0.00 0.08 0.00 -2.18 0.00 0.00 60.65 58.08 1psw h LYS 263 Cb 1.19 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 31.72 1psw h LYS 263 CO 0.64 0.45 0.37 0.00 -1.08 0.00 0.00 179.45 179.83 1psw s ALA 264 N -3.66 -1.65 0.01 3.86 0.00 -1.26 -4.32 121.76 114.75 1psw s ALA 264 Ca -0.01 0.52 0.04 0.00 0.00 0.00 0.00 51.96 52.51 1psw s ALA 264 Cb 0.12 0.66 -0.01 0.00 0.00 0.00 0.00 23.12 23.88 1psw s ALA 264 CO 0.71 -0.83 -0.12 0.42 0.00 0.00 0.00 175.76 175.94 1psw s ILE 265 N -3.44 0.98 -0.10 0.00 -1.09 -0.32 -1.32 121.20 115.90 1psw s ILE 265 Ca 0.06 -0.70 0.03 0.00 -2.23 0.00 0.00 60.65 57.81 1psw s ILE 265 Cb -0.02 -0.85 0.01 0.00 -1.58 0.00 0.00 42.46 40.02 1psw s ILE 265 CO -0.06 0.14 -0.19 -0.69 -1.23 0.00 0.00 174.94 172.91 1psw s VAL 266 N -0.53 1.75 0.17 2.92 1.01 -0.16 -1.01 120.40 124.55 1psw s VAL 266 Ca 0.03 -0.82 -0.16 0.00 0.00 0.00 0.00 61.98 61.02 1psw s VAL 266 Cb -0.06 -1.54 0.03 0.00 0.00 0.00 0.00 36.38 34.81 1psw s VAL 266 CO 0.00 0.49 0.46 0.28 0.00 0.00 0.00 175.10 176.34 1psw s THR 267 N 0.59 0.04 0.68 3.92 -1.32 -0.68 -1.35 115.64 117.51 1psw s THR 267 Ca -0.14 -0.80 -0.02 0.00 -1.21 0.00 0.00 61.69 59.51 1psw s THR 267 Cb -0.17 -1.51 0.14 0.00 -1.51 0.00 0.00 72.50 69.45 1psw s THR 267 CO 0.05 -0.19 0.93 0.59 -2.21 0.00 0.00 174.62 173.78 1psw n ASN 268 N -0.30 1.05 -4.55 8.08 3.02 -1.22 -0.66 115.26 120.68 1psw n ASN 268 Ca -0.11 -1.93 -0.37 0.00 -0.03 0.00 0.00 54.58 52.14 1psw n ASN 268 Cb 0.63 -0.62 -0.04 0.00 -0.61 0.00 0.00 39.78 39.15 1psw n ASN 268 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1psw s ASP 269 N -4.70 5.68 0.33 6.41 2.15 -1.23 -4.72 116.67 120.59 1psw s ASP 269 Ca 0.60 -0.44 -0.03 0.00 0.43 0.00 0.00 52.55 53.11 1psw s ASP 269 Cb -0.03 -2.55 0.00 0.00 -0.30 0.00 0.00 42.92 40.04 1psw s ASP 269 CO 0.40 -2.18 0.46 -0.94 -0.17 0.00 0.00 175.17 172.74 1psw s SER 270 N 6.46 0.83 0.23 -0.34 1.04 -1.26 -4.70 113.70 115.96 1psw s SER 270 Ca 0.56 -1.44 -0.07 0.00 0.48 0.00 0.00 55.95 55.48 1psw s SER 270 Cb -0.08 0.65 0.21 0.00 0.10 0.00 0.00 66.02 66.90 1psw s SER 270 CO 0.08 -1.27 1.85 1.23 0.98 0.00 0.00 173.24 176.11 1psw h GLY 271 N 2.13 1.35 -4.45 7.32 0.00 -1.93 -3.31 103.07 104.18 1psw h GLY 271 Ca -0.28 -0.62 -0.04 0.00 0.00 0.00 0.00 47.33 46.39 1psw h GLY 271 CO 0.39 0.59 0.18 1.04 0.00 0.00 0.00 176.54 178.74 1psw n LEU 272 N -4.33 1.57 0.00 3.11 4.77 -1.26 -3.01 117.00 117.86 1psw n LEU 272 Ca 0.10 -1.15 0.00 0.00 -0.03 0.00 0.00 56.01 54.92 1psw n LEU 272 Cb 0.10 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 1psw n LEU 272 CO 0.39 0.19 0.00 1.41 -1.33 0.00 0.00 177.39 178.05 1psw n HIS 274 N 2.60 0.00 -0.02 -1.77 8.25 -1.25 -1.41 115.22 121.62 1psw n HIS 274 Ca 0.10 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.43 1psw n HIS 274 Cb 0.24 0.00 -0.07 0.00 1.12 0.00 0.00 29.99 31.28 1psw n HIS 274 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1psw h VAL 275 N 0.00 1.25 -0.92 1.59 2.07 -1.88 -1.42 116.25 116.94 1psw h VAL 275 Ca 0.00 -0.77 0.02 0.00 0.82 0.00 0.00 66.70 66.77 1psw h VAL 275 Cb 0.00 1.61 -0.05 0.00 -1.52 0.00 0.00 31.29 31.33 1psw h VAL 275 CO 0.00 0.22 0.60 0.00 0.02 0.00 0.00 177.57 178.41 1psw h ALA 276 N 0.73 1.19 -0.80 1.67 0.00 -1.56 -2.00 119.26 118.49 1psw h ALA 276 Ca 0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1psw h ALA 276 Cb 0.34 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1psw h ALA 276 CO 0.00 0.51 0.42 0.00 0.00 0.00 0.00 179.25 180.19 1psw h ALA 277 N 1.36 1.03 0.00 0.00 0.00 -1.79 -2.10 119.26 117.75 1psw h ALA 277 Ca 0.35 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 1psw h ALA 277 Cb -0.07 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 1psw h ALA 277 CO -0.10 0.55 -0.31 0.00 0.00 0.00 0.00 179.25 179.39 1psw h ALA 278 N 1.22 1.48 -0.00 0.00 0.00 -0.67 -1.84 119.26 119.45 1psw h ALA 278 Ca 0.28 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1psw h ALA 278 Cb 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1psw h ALA 278 CO -0.04 0.39 -0.09 1.28 0.00 0.00 0.00 179.25 180.78 1psw n LEU 279 N -4.16 0.25 -2.98 0.00 4.77 -0.81 -1.90 117.00 112.17 1psw n LEU 279 Ca -0.02 0.17 -0.21 0.00 -0.03 0.00 0.00 56.01 55.92 1psw n LEU 279 Cb 0.35 -0.27 0.05 0.00 -2.33 0.00 0.00 43.42 41.23 1psw n LEU 279 CO 0.38 0.05 0.11 -3.20 -1.33 0.00 0.00 177.39 173.40 1psw n ASN 280 N -1.18 -5.79 -4.86 -1.43 5.15 -0.69 -4.96 115.26 101.50 1psw n ASN 280 Ca 0.13 -0.37 -0.35 0.00 -0.60 0.00 0.00 54.58 53.38 1psw n ASN 280 Cb 0.28 -4.51 -0.06 0.00 -0.53 0.00 0.00 39.78 34.96 1psw n ASN 280 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 1psw s ARG 281 N -5.88 3.84 0.33 1.20 1.81 -1.05 -4.94 118.95 114.27 1psw s ARG 281 Ca 0.40 0.29 -0.29 0.00 -1.72 0.00 0.00 55.73 54.41 1psw s ARG 281 Cb -0.18 -3.01 -0.12 0.00 -0.45 0.00 0.00 34.95 31.20 1psw s ARG 281 CO 0.49 0.56 1.52 -2.30 -0.68 0.00 0.00 175.30 174.89 1psw n PRO 282 N 1.01 2.62 -3.77 3.54 -0.02 -1.26 -4.67 135.00 132.44 1psw n PRO 282 Ca -0.08 0.92 -0.13 0.00 -2.02 0.00 0.00 63.50 62.19 1psw n PRO 282 Cb 0.52 -2.66 -0.10 0.00 -0.02 0.00 0.00 33.50 31.24 1psw n PRO 282 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1psw s LEU 283 N -1.17 0.85 -0.20 2.45 0.20 -1.00 -1.18 118.68 118.62 1psw s LEU 283 Ca 0.59 0.32 0.01 0.00 0.69 0.00 0.00 54.13 55.73 1psw s LEU 283 Cb -0.50 1.17 0.02 0.00 -0.43 0.00 0.00 46.19 46.45 1psw s LEU 283 CO 0.56 -0.30 -0.16 -0.69 -0.29 0.00 0.00 176.35 175.48 1psw s VAL 284 N -0.67 2.28 -0.24 1.68 1.01 -0.18 -1.22 120.40 123.05 1psw s VAL 284 Ca -0.08 -1.02 -0.07 0.00 0.00 0.00 0.00 61.98 60.81 1psw s VAL 284 Cb -0.04 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 1psw s VAL 284 CO 0.02 0.40 0.07 0.00 0.00 0.00 0.00 175.10 175.60 1psw s ALA 285 N 1.28 3.19 -0.28 5.51 0.00 0.14 -1.69 121.76 129.90 1psw s ALA 285 Ca 0.02 -1.10 -0.15 0.00 0.00 0.00 0.00 51.96 50.74 1psw s ALA 285 Cb -0.15 -2.08 -0.04 0.00 0.00 0.00 0.00 23.12 20.86 1psw s ALA 285 CO -0.10 -0.43 0.35 -0.51 0.00 0.00 0.00 175.76 175.07 1psw s LEU 286 N 1.52 4.07 0.06 0.00 1.43 0.16 -1.02 118.68 124.90 1psw s LEU 286 Ca 0.06 0.21 0.06 0.00 -1.03 0.00 0.00 54.13 53.44 1psw s LEU 286 Cb -0.15 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.65 1psw s LEU 286 CO 0.04 -0.19 -0.13 -0.31 0.23 0.00 0.00 176.35 175.99 1psw s TYR 287 N 2.04 2.68 0.00 0.29 1.51 -0.03 -3.53 117.35 120.30 1psw s TYR 287 Ca 0.14 -0.18 0.00 0.00 -1.01 0.00 0.00 57.07 56.02 1psw s TYR 287 Cb -0.16 -1.47 0.00 0.00 -0.11 0.00 0.00 41.96 40.22 1psw s TYR 287 CO 0.10 0.34 0.00 0.41 -1.11 0.00 0.00 175.55 175.29 1psw n GLY 288 N 1.23 1.67 0.24 0.71 0.00 -1.26 -4.40 105.19 103.37 1psw n GLY 288 Ca -0.15 -0.17 0.10 0.00 0.00 0.00 0.00 46.02 45.80 1psw n GLY 288 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1psw h PRO 289 N 0.00 0.00 -6.53 1.61 0.13 -1.95 -3.45 132.00 121.81 1psw h PRO 289 Ca 0.00 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.68 1psw h PRO 289 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.15 1psw h PRO 289 CO 0.00 0.20 -0.20 -1.54 -0.23 0.00 0.00 178.00 176.23 1psw s SER 290 N -6.36 5.95 0.27 1.44 1.04 -1.26 -4.98 113.70 109.80 1psw s SER 290 Ca -0.02 0.13 0.09 0.00 0.48 0.00 0.00 55.95 56.63 1psw s SER 290 Cb 0.13 -1.50 -0.05 0.00 0.10 0.00 0.00 66.02 64.70 1psw s SER 290 CO 0.63 -0.54 -0.12 -0.94 0.98 0.00 0.00 173.24 173.25 1psw s SER 291 N -4.17 3.06 -0.07 7.02 1.04 -1.26 -4.88 113.70 114.44 1psw s SER 291 Ca 0.46 -1.12 0.07 0.00 0.48 0.00 0.00 55.95 55.84 1psw s SER 291 Cb -0.10 -0.22 0.33 0.00 0.10 0.00 0.00 66.02 66.13 1psw s SER 291 CO 0.35 -0.19 1.11 -0.81 0.98 0.00 0.00 173.24 174.68 1psw n PRO 292 N -0.58 2.36 -0.01 4.02 -0.04 -1.26 -4.42 135.00 135.07 1psw n PRO 292 Ca -0.06 -1.29 0.05 0.00 -0.04 0.00 0.00 63.50 62.16 1psw n PRO 292 Cb 0.62 -1.63 0.44 0.00 -0.04 0.00 0.00 33.50 32.89 1psw n PRO 292 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1psw h ASP 293 N 1.78 0.44 0.01 3.54 3.32 -1.95 -2.67 116.42 120.89 1psw h ASP 293 Ca 0.00 -0.01 -0.42 0.00 0.02 0.00 0.00 57.03 56.62 1psw h ASP 293 Cb 0.89 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 40.27 1psw h ASP 293 CO 0.14 0.31 -2.41 0.33 -1.72 0.00 0.00 179.24 175.89 1psw n PHE 294 N -4.48 0.14 -3.21 4.55 7.35 -1.26 -4.60 117.46 115.95 1psw n PHE 294 Ca 0.04 0.04 -0.25 0.00 -0.76 0.00 0.00 57.45 56.53 1psw n PHE 294 Cb 0.12 -1.02 -0.06 0.00 0.35 0.00 0.00 39.48 38.87 1psw n PHE 294 CO 0.00 0.00 0.00 0.25 -0.76 0.00 0.00 176.76 176.25 1psw n THR 295 N -3.87 1.40 -1.66 -2.13 -2.24 -1.25 -4.50 114.28 100.03 1psw n THR 295 Ca -0.49 -4.92 -0.32 0.00 -2.27 0.00 0.00 64.05 56.05 1psw n THR 295 Cb 0.92 -1.59 0.05 0.00 -2.10 0.00 0.00 70.33 67.61 1psw n THR 295 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1psw s PRO 296 N -2.41 2.85 -0.12 -0.78 0.04 -1.00 -4.92 135.00 128.66 1psw s PRO 296 Ca 0.41 1.16 -0.29 0.00 0.04 0.00 0.00 61.00 62.31 1psw s PRO 296 Cb 0.22 -1.97 -0.04 0.00 0.04 0.00 0.00 34.50 32.75 1psw s PRO 296 CO -0.08 -1.18 1.51 -1.25 0.04 0.00 0.00 177.00 176.04 1psw s PRO 297 N -4.57 4.15 -1.08 0.56 0.04 -1.26 -4.91 135.00 127.93 1psw s PRO 297 Ca 0.62 1.93 -0.17 0.00 0.04 0.00 0.00 61.00 63.42 1psw s PRO 297 Cb -0.17 -3.91 0.14 0.00 0.04 0.00 0.00 34.50 30.61 1psw s PRO 297 CO 0.48 -0.85 1.31 -0.51 0.04 0.00 0.00 177.00 177.47 1psw s LEU 298 N 3.98 4.92 -0.26 -3.56 1.43 -1.26 -4.90 118.68 119.04 1psw s LEU 298 Ca 0.66 -2.48 -0.26 0.00 -1.03 0.00 0.00 54.13 51.03 1psw s LEU 298 Cb -0.28 -2.42 0.11 0.00 0.03 0.00 0.00 46.19 43.63 1psw s LEU 298 CO 0.24 -0.94 0.94 -0.55 0.23 0.00 0.00 176.35 176.27 1psw s SER 299 N 3.35 -0.53 0.17 2.29 0.15 -1.26 -4.54 113.70 113.33 1psw s SER 299 Ca 0.39 0.97 0.25 0.00 0.70 0.00 0.00 55.95 58.26 1psw s SER 299 Cb -0.03 0.97 0.91 0.00 -1.71 0.00 0.00 66.02 66.16 1psw s SER 299 CO -0.04 -0.21 1.75 1.41 1.20 0.00 0.00 173.24 177.35 1psw n HIS 300 N 2.17 0.65 -0.19 3.44 8.25 -1.26 -3.08 115.22 125.20 1psw n HIS 300 Ca -0.13 0.21 0.11 0.00 -0.26 0.00 0.00 57.72 57.66 1psw n HIS 300 Cb 0.56 -0.85 0.30 0.00 1.12 0.00 0.00 29.99 31.13 1psw n HIS 300 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1psw n LYS 301 N -2.05 2.62 -3.79 -0.41 5.02 -1.26 -4.93 118.16 113.35 1psw n LYS 301 Ca 0.05 -2.51 -0.32 0.00 -2.02 0.00 0.00 58.31 53.51 1psw n LYS 301 Cb 0.33 -1.54 -0.05 0.00 -0.02 0.00 0.00 35.03 33.75 1psw n LYS 301 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1psw s ALA 302 N -1.10 3.89 -0.01 7.82 0.00 -1.18 -2.37 121.76 128.81 1psw s ALA 302 Ca 0.46 -0.67 0.02 0.00 0.00 0.00 0.00 51.96 51.78 1psw s ALA 302 Cb 0.24 -2.00 -0.00 0.00 0.00 0.00 0.00 23.12 21.36 1psw s ALA 302 CO 0.32 0.73 -0.08 1.03 0.00 0.00 0.00 175.76 177.76 1psw s ARG 303 N -2.38 0.68 -0.11 0.00 1.81 -0.36 -4.96 118.95 113.64 1psw s ARG 303 Ca 0.35 -0.27 -0.00 0.00 -1.72 0.00 0.00 55.73 54.09 1psw s ARG 303 Cb -0.13 -0.66 -0.02 0.00 -0.45 0.00 0.00 34.95 33.69 1psw s ARG 303 CO 0.24 0.15 -0.10 0.08 -0.68 0.00 0.00 175.30 174.99 1psw s VAL 304 N -0.09 3.39 -0.15 3.52 1.01 -1.26 -0.69 120.40 126.13 1psw s VAL 304 Ca 0.02 -0.56 0.01 0.00 0.00 0.00 0.00 61.98 61.45 1psw s VAL 304 Cb -0.04 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.93 1psw s VAL 304 CO -0.00 0.55 -0.19 -0.63 0.00 0.00 0.00 175.10 174.82 1psw s ILE 305 N -0.12 2.28 -0.16 2.22 1.01 -0.19 -4.96 121.20 121.28 1psw s ILE 305 Ca 0.00 -0.89 -0.10 0.00 0.00 0.00 0.00 60.65 59.66 1psw s ILE 305 Cb -0.13 -1.94 0.06 0.00 0.01 0.00 0.00 42.46 40.45 1psw s ILE 305 CO 0.03 0.53 0.40 -0.60 0.00 0.00 0.00 174.94 175.30 1psw s ARG 306 N 0.93 0.39 0.08 2.79 3.52 -1.26 -0.85 118.95 124.55 1psw s ARG 306 Ca -0.04 0.75 0.22 0.00 -0.13 0.00 0.00 55.73 56.54 1psw s ARG 306 Cb -0.15 -0.00 -0.10 0.00 -1.56 0.00 0.00 34.95 33.14 1psw s ARG 306 CO -0.03 -0.15 0.85 1.28 -0.81 0.00 0.00 175.30 176.44 1psw n LEU 307 N 4.11 0.51 -4.80 -0.88 4.77 -1.26 -4.98 117.00 114.47 1psw n LEU 307 Ca -0.22 0.11 -0.28 0.00 -0.03 0.00 0.00 56.01 55.59 1psw n LEU 307 Cb 0.55 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.54 1psw n LEU 307 CO 0.09 -0.06 -0.12 0.27 -1.33 0.00 0.00 177.39 176.24 1psw s ILE 308 N -3.37 1.71 0.37 -0.08 -4.36 -1.26 -5.16 121.20 109.05 1psw s ILE 308 Ca -0.02 -1.74 0.09 0.00 -0.26 0.00 0.00 60.65 58.72 1psw s ILE 308 Cb 0.12 -2.45 -0.07 0.00 1.25 0.00 0.00 42.46 41.31 1psw s ILE 308 CO 0.83 0.00 -0.06 -0.89 0.24 0.00 0.00 174.94 175.07 1psw s THR 309 N -2.75 2.14 0.00 8.37 2.01 -1.26 -5.07 115.64 119.08 1psw s THR 309 Ca 0.27 -2.13 0.00 0.00 0.31 0.00 0.00 61.69 60.14 1psw s THR 309 Cb 0.01 -2.76 0.00 0.00 0.01 0.00 0.00 72.50 69.76 1psw s THR 309 CO 0.16 -0.13 0.00 0.61 -0.69 0.00 0.00 174.62 174.56 1psw n GLY 310 N -0.85 1.25 0.00 4.40 0.00 -1.26 -5.11 105.19 103.62 1psw n GLY 310 Ca -0.05 -0.93 0.04 0.00 0.00 0.00 0.00 46.02 45.08 1psw n GLY 310 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1psw n GLU 321 N 0.00 0.10 -3.90 1.61 1.02 -1.26 -4.66 120.64 113.55 1psw n GLU 321 Ca 0.00 0.23 -0.26 0.00 -0.02 0.00 0.00 57.16 57.11 1psw n GLU 321 Cb 0.00 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 29.91 1psw n GLU 321 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1psw s GLY 322 N -2.63 2.38 0.68 0.62 0.00 -1.26 -4.77 107.32 102.34 1psw s GLY 322 Ca 0.07 -1.29 -0.13 0.00 0.00 0.00 0.00 44.72 43.37 1psw s GLY 322 CO 0.13 -1.94 1.09 -0.19 0.00 0.00 0.00 173.10 172.19 1psw s TYR 323 N -2.76 2.77 -0.09 1.90 2.02 -1.26 -3.13 117.35 116.80 1psw s TYR 323 Ca 0.34 1.52 -0.06 0.00 -0.37 0.00 0.00 57.07 58.51 1psw s TYR 323 Cb -0.02 -3.05 -0.04 0.00 -0.40 0.00 0.00 41.96 38.45 1psw s TYR 323 CO 0.21 -1.52 0.14 -1.58 -1.57 0.00 0.00 175.55 171.23 1psw s HIS 324 N -2.64 3.56 0.38 2.71 2.46 -1.26 -4.93 115.29 115.58 1psw s HIS 324 Ca 0.63 0.47 0.10 0.00 0.47 0.00 0.00 55.06 56.73 1psw s HIS 324 Cb -0.18 -1.90 0.87 0.00 -0.13 0.00 0.00 32.58 31.24 1psw s HIS 324 CO 0.47 0.70 1.93 0.37 -2.47 0.00 0.00 174.74 175.74 1psw h GLN 325 N 4.70 0.60 0.00 2.88 5.75 -1.96 -1.49 115.11 125.59 1psw h GLN 325 Ca -0.53 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 57.92 1psw h GLN 325 Cb 1.22 -0.14 -0.00 0.00 1.07 0.00 0.00 27.48 29.63 1psw h GLN 325 CO 0.60 0.40 -0.03 0.66 -2.65 0.00 0.00 178.83 177.81 1psw h SER 326 N 0.62 0.00 0.26 -0.69 4.64 -1.94 0.88 113.55 117.31 1psw h SER 326 Ca 0.35 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 61.33 1psw h SER 326 Cb 0.53 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.59 1psw h SER 326 CO -0.13 0.03 -1.91 0.18 -0.87 0.00 0.00 176.83 174.14 1psw n LEU 327 N -4.26 1.96 -0.10 5.97 4.77 -0.63 -3.89 117.00 120.82 1psw n LEU 327 Ca -0.03 0.28 0.01 0.00 -0.03 0.00 0.00 56.01 56.24 1psw n LEU 327 Cb 0.12 -0.62 0.30 0.00 -2.33 0.00 0.00 43.42 40.89 1psw n LEU 327 CO 0.32 0.68 1.12 0.40 -1.33 0.00 0.00 177.39 178.58 1psw h ILE 328 N 0.04 1.17 0.00 -0.08 2.04 -0.90 -1.93 117.51 117.85 1psw h ILE 328 Ca -0.38 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.03 1psw h ILE 328 Cb 2.03 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 38.57 1psw h ILE 328 CO 0.08 0.19 0.00 0.47 0.00 0.00 0.00 178.15 178.89 1psw n ASP 329 N -4.39 0.00 -4.55 1.72 8.00 0.26 -4.53 116.55 113.06 1psw n ASP 329 Ca 0.05 0.50 -0.43 0.00 0.71 0.00 0.00 54.79 55.62 1psw n ASP 329 Cb 0.11 -0.50 -0.04 0.00 -0.02 0.00 0.00 41.12 40.66 1psw n ASP 329 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1psw s ILE 330 N -3.00 4.51 0.45 0.53 1.01 -0.73 -5.02 121.20 118.96 1psw s ILE 330 Ca 0.08 0.60 -0.21 0.00 0.00 0.00 0.00 60.65 61.13 1psw s ILE 330 Cb 0.11 -4.41 -0.10 0.00 0.01 0.00 0.00 42.46 38.07 1psw s ILE 330 CO 0.32 -0.83 0.99 0.42 0.00 0.00 0.00 174.94 175.83 1psw s THR 331 N 3.64 4.14 0.51 2.92 -4.23 -1.26 -4.95 115.64 116.41 1psw s THR 331 Ca 0.34 1.33 0.16 0.00 -1.18 0.00 0.00 61.69 62.35 1psw s THR 331 Cb -0.11 -3.54 0.29 0.00 1.34 0.00 0.00 72.50 70.48 1psw s THR 331 CO 0.25 -0.29 2.11 -0.65 -0.54 0.00 0.00 174.62 175.49 1psw h PRO 332 N 1.75 0.07 -0.54 3.99 0.11 -1.95 -1.71 132.00 133.72 1psw h PRO 332 Ca -0.49 -0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.50 1psw h PRO 332 Cb 1.20 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1psw h PRO 332 CO 0.60 0.05 -0.12 0.37 -0.21 0.00 0.00 178.00 178.69 1psw h GLN 333 N 0.07 1.02 -0.29 1.05 5.75 -1.97 0.17 115.11 120.91 1psw h GLN 333 Ca 0.07 -0.38 -0.01 0.00 -0.15 0.00 0.00 58.65 58.17 1psw h GLN 333 Cb 0.17 -0.06 -0.01 0.00 1.07 0.00 0.00 27.48 28.65 1psw h GLN 333 CO -0.01 1.07 0.13 -0.09 -2.65 0.00 0.00 178.83 177.28 1psw h ARG 334 N 0.91 0.43 -0.50 1.69 2.43 -1.70 -1.71 114.38 115.93 1psw h ARG 334 Ca 0.14 -0.07 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 1psw h ARG 334 Cb 0.68 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 1psw h ARG 334 CO 0.05 0.43 0.13 0.28 -1.51 0.00 0.00 179.97 179.35 1psw h VAL 335 N 0.33 1.24 -0.84 0.20 2.07 -1.34 -2.56 116.25 115.36 1psw h VAL 335 Ca 0.10 -0.83 0.03 0.00 0.82 0.00 0.00 66.70 66.81 1psw h VAL 335 Cb 0.15 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 1psw h VAL 335 CO -0.01 0.30 0.55 0.25 0.02 0.00 0.00 177.57 178.68 1psw h LEU 336 N 0.68 0.92 -0.64 2.57 5.85 -0.51 0.38 115.31 124.57 1psw h LEU 336 Ca 0.16 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.83 1psw h LEU 336 Cb 0.32 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 1psw h LEU 336 CO 0.00 0.65 0.24 -0.33 -0.34 0.00 0.00 178.44 178.66 1psw h GLU 337 N 1.08 0.96 -0.45 1.25 5.08 -1.14 0.52 114.58 121.89 1psw h GLU 337 Ca 0.33 -0.18 -0.12 0.00 -1.00 0.00 0.00 59.36 58.39 1psw h GLU 337 Cb -0.04 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1psw h GLU 337 CO -0.10 0.82 -0.19 1.49 -1.00 0.00 0.00 179.01 180.02 1psw h GLU 338 N 0.90 0.88 0.04 2.33 4.57 -1.03 -2.90 114.58 119.36 1psw h GLU 338 Ca 0.21 -0.35 -0.00 0.00 -1.18 0.00 0.00 59.36 58.04 1psw h GLU 338 Cb 0.23 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 1psw h GLU 338 CO -0.01 0.99 -0.02 1.25 -1.18 0.00 0.00 179.01 180.04 1psw h LEU 339 N 0.77 -0.05 -1.87 1.64 5.85 -0.60 -2.86 115.31 118.19 1psw h LEU 339 Ca 0.11 -0.32 0.06 0.00 0.84 0.00 0.00 57.88 58.57 1psw h LEU 339 Cb 0.73 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 1psw h LEU 339 CO 0.06 0.30 0.22 0.78 -0.34 0.00 0.00 178.44 179.45 1psw h ASN 340 N -0.40 0.14 -0.16 1.25 2.35 -0.92 -0.42 115.58 117.41 1psw h ASN 340 Ca -0.01 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1psw h ASN 340 Cb 0.37 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 1psw h ASN 340 CO 0.01 0.09 -0.00 0.00 -1.65 0.00 0.00 177.43 175.88 1psw h ALA 341 N 1.83 0.22 -0.13 -0.83 0.00 -1.40 -1.11 119.26 117.84 1psw h ALA 341 Ca 0.14 -0.20 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1psw h ALA 341 Cb 0.36 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1psw h ALA 341 CO -0.02 -0.08 -0.37 -0.07 0.00 0.00 0.00 179.25 178.72 1psw h LEU 342 N 0.03 0.29 -0.81 0.00 3.38 -1.17 -2.20 115.31 114.81 1psw h LEU 342 Ca 0.04 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.80 1psw h LEU 342 Cb 0.38 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1psw h LEU 342 CO 0.01 0.63 -0.24 -0.07 0.09 0.00 0.00 178.44 178.87 1psw h LEU 343 N 0.24 0.63 -0.17 1.67 3.38 -0.94 -2.42 115.31 117.70 1psw h LEU 343 Ca 0.03 -0.22 -0.03 0.00 0.09 0.00 0.00 57.88 57.75 1psw h LEU 343 Cb 0.76 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1psw h LEU 343 CO 0.06 0.86 0.01 0.25 0.09 0.00 0.00 178.44 179.70 1psw h LEU 344 N 0.55 0.29 -0.70 1.67 5.85 -0.83 -2.60 115.31 119.55 1psw h LEU 344 Ca 0.08 -0.30 0.11 0.00 0.84 0.00 0.00 57.88 58.61 1psw h LEU 344 Cb 0.70 -0.08 -0.08 0.00 0.37 0.00 0.00 40.66 41.57 1psw h LEU 344 CO 0.05 0.52 0.30 -0.61 -0.34 0.00 0.00 178.44 178.36 1psw h GLN 345 N 0.06 0.48 -0.74 1.25 4.15 -1.29 -0.48 115.11 118.54 1psw h GLN 345 Ca 0.05 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.41 1psw h GLN 345 Cb 0.36 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.91 1psw h GLN 345 CO 0.01 0.32 0.33 1.49 -1.93 0.00 0.00 178.83 179.05 1psw h GLU 346 N 0.50 1.08 -0.21 1.69 4.81 -1.31 -2.95 114.58 118.18 1psw h GLU 346 Ca 0.36 -0.17 -0.09 0.00 -0.13 0.00 0.00 59.36 59.33 1psw h GLU 346 Cb 0.45 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.64 1psw h GLU 346 CO -0.32 0.85 -0.22 0.93 -0.73 0.00 0.00 179.01 179.52 1psw h GLU 347 N 1.06 0.52 0.00 1.92 5.08 -0.87 -3.52 114.58 118.78 1psw h GLU 347 Ca 0.25 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1psw h GLU 347 Cb 0.15 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1psw h GLU 347 CO -0.03 0.86 0.00 0.00 -1.00 0.00 0.00 179.01 178.84