#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mp3 s LYS 2 N 0.00 4.33 -0.31 2.12 1.02 -1.26 -4.77 119.74 120.88 1mp3 s LYS 2 Ca 0.00 2.09 -0.28 0.00 0.02 0.00 0.00 55.97 57.80 1mp3 s LYS 2 Cb 0.00 -3.22 -0.05 0.00 -0.52 0.00 0.00 37.83 34.04 1mp3 s LYS 2 CO 0.00 -0.39 2.21 0.99 -0.92 0.00 0.00 175.35 177.24 1mp3 s THR 3 N 0.77 3.07 -0.91 2.17 2.01 -0.27 -4.78 115.64 117.69 1mp3 s THR 3 Ca 0.62 0.07 0.08 0.00 0.31 0.00 0.00 61.69 62.77 1mp3 s THR 3 Cb -0.37 -3.11 0.14 0.00 0.01 0.00 0.00 72.50 69.16 1mp3 s THR 3 CO 0.33 -0.08 0.95 0.54 -0.69 0.00 0.00 174.62 175.67 1mp3 n ARG 4 N 8.80 1.36 -4.66 4.92 5.12 -1.26 -4.66 116.66 126.28 1mp3 n ARG 4 Ca 0.30 -1.40 -0.27 0.00 -1.93 0.00 0.00 57.85 54.55 1mp3 n ARG 4 Cb 0.48 -1.18 -0.14 0.00 -1.16 0.00 0.00 32.46 30.46 1mp3 n ARG 4 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 1mp3 s LYS 5 N -0.83 1.49 0.10 5.56 1.02 -1.26 -3.57 119.74 122.24 1mp3 s LYS 5 Ca 0.13 -1.06 -0.07 0.00 0.02 0.00 0.00 55.97 54.99 1mp3 s LYS 5 Cb 0.08 -1.68 -0.01 0.00 -0.52 0.00 0.00 37.83 35.70 1mp3 s LYS 5 CO 0.11 0.42 0.17 0.20 -0.92 0.00 0.00 175.35 175.33 1mp3 s GLY 6 N -1.38 0.24 -0.01 -3.33 0.00 -0.75 -0.70 107.32 101.39 1mp3 s GLY 6 Ca 0.09 -0.78 0.03 0.00 0.00 0.00 0.00 44.72 44.07 1mp3 s GLY 6 CO 0.03 -0.91 -0.11 -0.42 0.00 0.00 0.00 173.10 171.69 1mp3 s ILE 7 N -3.89 0.84 -0.25 0.90 1.01 0.44 -0.48 121.20 119.77 1mp3 s ILE 7 Ca 0.08 -0.46 0.01 0.00 0.00 0.00 0.00 60.65 60.28 1mp3 s ILE 7 Cb 0.05 -0.70 0.04 0.00 0.01 0.00 0.00 42.46 41.86 1mp3 s ILE 7 CO -0.09 0.24 -0.10 -0.63 0.00 0.00 0.00 174.94 174.36 1mp3 s ILE 8 N -0.25 2.42 -0.99 2.92 1.01 -0.49 -1.16 121.20 124.65 1mp3 s ILE 8 Ca 0.04 -1.32 -0.19 0.00 0.00 0.00 0.00 60.65 59.17 1mp3 s ILE 8 Cb -0.04 -2.30 0.11 0.00 0.01 0.00 0.00 42.46 40.24 1mp3 s ILE 8 CO -0.00 0.13 1.26 -0.76 0.00 0.00 0.00 174.94 175.56 1mp3 s LEU 9 N 1.21 4.62 -0.59 2.97 1.43 -0.89 -1.47 118.68 125.97 1mp3 s LEU 9 Ca -0.04 -2.00 0.00 0.00 -1.03 0.00 0.00 54.13 51.06 1mp3 s LEU 9 Cb -0.18 -2.45 0.45 0.00 0.03 0.00 0.00 46.19 44.04 1mp3 s LEU 9 CO -0.06 -1.15 1.84 0.00 0.23 0.00 0.00 176.35 177.22 1mp3 n ALA 10 N 7.11 6.05 -2.57 4.21 0.00 0.14 -1.26 120.51 134.20 1mp3 n ALA 10 Ca 0.28 -3.58 0.00 0.00 0.00 0.00 0.00 53.44 50.14 1mp3 n ALA 10 Cb 0.49 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1mp3 n ALA 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mp3 n GLY 11 N -0.85 1.30 1.65 0.00 0.00 -1.22 -4.50 105.19 101.58 1mp3 n GLY 11 Ca 0.58 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.60 1mp3 n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mp3 n GLY 12 N 5.00 -2.64 0.31 -0.02 0.00 -1.26 -4.83 105.19 101.74 1mp3 n GLY 12 Ca 0.00 -1.71 -0.18 0.00 0.00 0.00 0.00 46.02 44.12 1mp3 n GLY 12 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1mp3 n SER 13 N -0.17 1.73 -2.05 1.61 2.88 -1.26 -4.91 113.62 111.45 1mp3 n SER 13 Ca 0.00 0.13 -0.12 0.00 -1.33 0.00 0.00 58.87 57.55 1mp3 n SER 13 Cb 0.00 -0.48 0.04 0.00 -0.75 0.00 0.00 64.21 63.02 1mp3 n SER 13 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1mp3 n GLY 14 N 2.05 0.20 0.27 0.46 0.00 -1.26 -4.93 105.19 101.98 1mp3 n GLY 14 Ca -0.36 -0.21 0.03 0.00 0.00 0.00 0.00 46.02 45.48 1mp3 n GLY 14 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1mp3 h THR 15 N -1.36 1.14 0.00 2.61 1.35 -1.95 -1.97 112.91 112.73 1mp3 h THR 15 Ca -0.29 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 1mp3 h THR 15 Cb 1.19 0.93 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 1mp3 h THR 15 CO 0.28 0.18 0.00 0.03 -0.25 0.00 0.00 175.52 175.76 1mp3 h ARG 16 N 0.36 0.00 -0.43 4.72 3.08 -1.92 -2.48 114.38 117.70 1mp3 h ARG 16 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1mp3 h ARG 16 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1mp3 h ARG 16 CO 0.00 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.18 1mp3 n LEU 17 N -3.07 3.18 -4.74 3.04 4.77 -0.74 -4.64 117.00 114.80 1mp3 n LEU 17 Ca -0.02 -1.89 -0.38 0.00 -0.03 0.00 0.00 56.01 53.69 1mp3 n LEU 17 Cb 0.12 -0.29 0.05 0.00 -2.33 0.00 0.00 43.42 40.97 1mp3 n LEU 17 CO 0.21 0.78 0.95 -1.22 -1.33 0.00 0.00 177.39 176.78 1mp3 n TYR 18 N 0.91 2.18 0.73 -1.77 4.01 -0.94 -0.45 117.16 121.83 1mp3 n TYR 18 Ca 0.15 0.43 0.07 0.00 -0.16 0.00 0.00 57.90 58.39 1mp3 n TYR 18 Cb 0.48 -2.34 0.20 0.00 -0.31 0.00 0.00 39.34 37.37 1mp3 n TYR 18 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1mp3 n PRO 19 N -1.20 1.94 -0.36 -0.72 -0.04 -1.26 -4.86 135.00 128.49 1mp3 n PRO 19 Ca 0.12 -1.46 0.00 0.00 -0.04 0.00 0.00 63.50 62.12 1mp3 n PRO 19 Cb 0.45 -1.33 0.15 0.00 -0.04 0.00 0.00 33.50 32.74 1mp3 n PRO 19 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1mp3 h VAL 20 N 2.41 1.18 -0.46 0.52 2.07 -1.15 -1.65 116.25 119.17 1mp3 h VAL 20 Ca 0.00 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1mp3 h VAL 20 Cb 0.55 -0.19 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1mp3 h VAL 20 CO 0.00 0.23 0.00 0.35 0.02 0.00 0.00 177.57 178.17 1mp3 n THR 21 N -4.43 1.62 0.04 2.57 -2.24 -1.09 -3.71 114.28 107.04 1mp3 n THR 21 Ca 0.13 -0.93 -0.20 0.00 -2.27 0.00 0.00 64.05 60.79 1mp3 n THR 21 Cb 0.09 -0.12 -0.12 0.00 -2.10 0.00 0.00 70.33 68.08 1mp3 n THR 21 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 1mp3 h MET 22 N 3.00 0.51 -0.05 -0.78 2.86 -1.60 -3.37 114.93 115.51 1mp3 h MET 22 Ca 0.00 -0.61 0.00 0.00 -2.06 0.00 0.00 59.70 57.03 1mp3 h MET 22 Cb 1.32 0.19 0.00 0.00 0.06 0.00 0.00 31.60 33.17 1mp3 h MET 22 CO 0.25 1.24 0.00 0.00 1.06 0.00 0.00 176.91 179.46 1mp3 n ALA 23 N -2.63 2.22 -3.65 6.32 0.00 -1.26 -4.97 120.51 116.53 1mp3 n ALA 23 Ca -0.12 -0.83 -0.18 0.00 0.00 0.00 0.00 53.44 52.31 1mp3 n ALA 23 Cb 0.81 -0.09 -0.16 0.00 0.00 0.00 0.00 19.45 20.02 1mp3 n ALA 23 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1mp3 s VAL 24 N -0.69 -0.23 0.39 0.00 1.01 -1.24 -5.13 120.40 114.52 1mp3 s VAL 24 Ca 0.04 0.32 -0.25 0.00 0.00 0.00 0.00 61.98 62.08 1mp3 s VAL 24 Cb 0.02 -0.30 -0.11 0.00 0.00 0.00 0.00 36.38 35.99 1mp3 s VAL 24 CO 0.03 0.11 1.08 -0.24 0.00 0.00 0.00 175.10 176.09 1mp3 n SER 25 N 5.32 1.65 -0.33 3.32 2.88 -1.26 -4.13 113.62 121.07 1mp3 n SER 25 Ca -0.04 1.09 0.05 0.00 -1.33 0.00 0.00 58.87 58.64 1mp3 n SER 25 Cb 0.50 -1.38 0.24 0.00 -0.75 0.00 0.00 64.21 62.81 1mp3 n SER 25 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1mp3 h GLN 26 N 1.81 0.99 0.00 -1.46 4.15 -1.89 -0.78 115.11 117.94 1mp3 h GLN 26 Ca -0.44 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 58.92 1mp3 h GLN 26 Cb 1.32 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.79 1mp3 h GLN 26 CO 0.58 0.66 0.00 1.04 -1.93 0.00 0.00 178.83 179.18 1mp3 n GLN 27 N -4.54 0.71 -0.00 1.69 3.00 -1.26 -1.96 117.38 115.02 1mp3 n GLN 27 Ca 0.16 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.23 1mp3 n GLN 27 Cb 0.27 -1.50 -0.09 0.00 0.00 0.00 0.00 30.24 28.92 1mp3 n GLN 27 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1mp3 n LEU 28 N -1.02 0.59 -4.74 1.08 4.77 -0.32 -1.03 117.00 116.33 1mp3 n LEU 28 Ca 0.17 -0.42 -0.37 0.00 -0.03 0.00 0.00 56.01 55.37 1mp3 n LEU 28 Cb 0.09 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.24 1mp3 n LEU 28 CO 0.14 0.15 0.89 -0.76 -1.33 0.00 0.00 177.39 176.47 1mp3 s LEU 29 N -2.94 3.60 0.12 2.23 1.43 -0.83 -4.41 118.68 117.88 1mp3 s LEU 29 Ca 0.04 2.56 -0.26 0.00 -1.03 0.00 0.00 54.13 55.43 1mp3 s LEU 29 Cb 0.11 -4.61 -0.07 0.00 0.03 0.00 0.00 46.19 41.65 1mp3 s LEU 29 CO 0.62 -1.89 0.82 -2.16 0.23 0.00 0.00 176.35 173.97 1mp3 s PRO 30 N -3.37 4.59 -0.87 1.29 0.04 -1.26 0.15 135.00 135.57 1mp3 s PRO 30 Ca 0.81 1.20 -0.00 0.00 0.04 0.00 0.00 61.00 63.05 1mp3 s PRO 30 Cb -0.35 -3.32 0.22 0.00 0.04 0.00 0.00 34.50 31.09 1mp3 s PRO 30 CO 0.38 0.41 0.77 -0.89 0.04 0.00 0.00 177.00 177.70 1mp3 n ILE 31 N 2.21 2.88 0.00 0.56 2.08 -0.32 -4.85 119.36 121.92 1mp3 n ILE 31 Ca -0.03 -5.11 0.00 0.00 0.56 0.00 0.00 62.75 58.17 1mp3 n ILE 31 Cb 0.49 -2.33 0.00 0.00 -0.75 0.00 0.00 39.64 37.05 1mp3 n ILE 31 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1mp3 n TYR 32 N 2.16 0.00 -0.37 1.39 9.36 -1.26 -3.90 117.16 124.53 1mp3 n TYR 32 Ca 0.22 0.00 0.06 0.00 3.32 0.00 0.00 57.90 61.50 1mp3 n TYR 32 Cb 0.37 0.00 0.17 0.00 -0.63 0.00 0.00 39.34 39.24 1mp3 n TYR 32 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 1mp3 n ASP 33 N 5.90 3.08 -3.48 2.98 5.75 -1.26 -5.03 116.55 124.48 1mp3 n ASP 33 Ca 0.00 -2.26 -0.12 0.00 -0.01 0.00 0.00 54.79 52.40 1mp3 n ASP 33 Cb 0.00 -0.29 -0.03 0.00 -1.03 0.00 0.00 41.12 39.77 1mp3 n ASP 33 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 1mp3 s LYS 34 N -1.46 1.05 0.38 0.11 -2.85 -1.25 -5.10 119.74 110.62 1mp3 s LYS 34 Ca 0.26 -0.21 -0.28 0.00 -1.00 0.00 0.00 55.97 54.74 1mp3 s LYS 34 Cb 0.17 0.49 -0.10 0.00 -2.06 0.00 0.00 37.83 36.32 1mp3 s LYS 34 CO 0.13 -0.42 1.44 -1.25 0.10 0.00 0.00 175.35 175.34 1mp3 s PRO 35 N -2.79 4.07 0.30 1.78 0.04 -1.26 -1.17 135.00 135.98 1mp3 s PRO 35 Ca -0.01 2.47 0.05 0.00 0.04 0.00 0.00 61.00 63.55 1mp3 s PRO 35 Cb -0.01 -2.92 0.82 0.00 0.04 0.00 0.00 34.50 32.43 1mp3 s PRO 35 CO -0.06 -0.52 1.65 1.98 0.04 0.00 0.00 177.00 180.09 1mp3 h MET 36 N 2.94 0.22 -0.01 4.56 4.05 -0.33 0.04 114.93 126.40 1mp3 h MET 36 Ca -0.50 -0.01 0.00 0.00 -0.28 0.00 0.00 59.70 58.90 1mp3 h MET 36 Cb 1.24 -0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 31.99 1mp3 h MET 36 CO 0.64 0.15 0.07 0.97 0.23 0.00 0.00 176.91 178.96 1mp3 h ILE 37 N 0.23 0.06 0.00 1.77 2.10 -1.29 -1.30 117.51 119.08 1mp3 h ILE 37 Ca 0.61 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 66.51 1mp3 h ILE 37 Cb 1.28 0.93 -0.00 0.00 -1.09 0.00 0.00 36.82 37.93 1mp3 h ILE 37 CO -0.66 0.00 -0.15 1.88 -1.08 0.00 0.00 178.15 178.14 1mp3 h TYR 38 N 0.00 0.00 0.30 2.19 -1.99 -1.28 -2.48 116.97 113.71 1mp3 h TYR 38 Ca 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 1mp3 h TYR 38 Cb 0.14 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.87 1mp3 h TYR 38 CO 0.00 0.15 -0.14 1.88 -0.00 0.00 0.00 178.16 180.05 1mp3 h TYR 39 N 0.00 -0.37 -0.39 4.88 -1.99 -1.40 -1.43 116.97 116.27 1mp3 h TYR 39 Ca -0.00 -0.01 -0.06 0.00 2.00 0.00 0.00 58.73 60.66 1mp3 h TYR 39 Cb 0.30 0.12 -0.02 0.00 2.00 0.00 0.00 36.73 39.13 1mp3 h TYR 39 CO 0.00 -0.02 0.01 -1.00 -0.00 0.00 0.00 178.16 177.15 1mp3 h PRO 40 N -0.88 0.62 -0.20 4.88 0.13 -1.63 -2.21 132.00 132.71 1mp3 h PRO 40 Ca -0.04 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 1mp3 h PRO 40 Cb 0.52 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.55 1mp3 h PRO 40 CO 0.07 0.63 0.13 1.25 -0.23 0.00 0.00 178.00 179.85 1mp3 h LEU 41 N 0.59 0.23 -0.81 1.56 6.46 -1.48 -2.06 115.31 119.79 1mp3 h LEU 41 Ca 0.12 -0.01 0.11 0.00 -0.12 0.00 0.00 57.88 57.98 1mp3 h LEU 41 Cb 0.36 -0.06 -0.08 0.00 -0.73 0.00 0.00 40.66 40.15 1mp3 h LEU 41 CO 0.01 0.17 0.44 0.28 -0.62 0.00 0.00 178.44 178.73 1mp3 h SER 42 N 0.27 0.60 -0.36 1.25 0.02 -0.89 -0.27 113.55 114.17 1mp3 h SER 42 Ca 0.07 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1mp3 h SER 42 Cb -0.03 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 1mp3 h SER 42 CO -0.02 0.33 0.22 0.74 -1.14 0.00 0.00 176.83 176.96 1mp3 h THR 43 N 0.72 1.12 0.06 -2.27 2.02 -1.00 0.33 112.91 113.89 1mp3 h THR 43 Ca 0.41 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 67.30 1mp3 h THR 43 Cb 0.43 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1mp3 h THR 43 CO -0.28 0.12 -0.03 -0.07 0.37 0.00 0.00 175.52 175.63 1mp3 h LEU 44 N 0.47 -0.07 -0.69 2.58 3.38 -0.67 -2.22 115.31 118.09 1mp3 h LEU 44 Ca 0.13 -0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.18 1mp3 h LEU 44 Cb 0.01 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 40.70 1mp3 h LEU 44 CO -0.02 -0.01 0.28 0.24 0.09 0.00 0.00 178.44 179.01 1mp3 h MET 45 N -0.12 0.45 0.00 1.13 2.86 -0.60 0.17 114.93 118.82 1mp3 h MET 45 Ca -0.01 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 1mp3 h MET 45 Cb 0.10 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.66 1mp3 h MET 45 CO 0.01 0.30 0.00 -0.07 1.06 0.00 0.00 176.91 178.21 1mp3 h LEU 46 N 0.47 0.00 -0.55 1.22 3.38 -0.07 0.14 115.31 119.91 1mp3 h LEU 46 Ca 0.36 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.33 1mp3 h LEU 46 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1mp3 h LEU 46 CO -0.34 0.00 -0.06 0.00 0.09 0.00 0.00 178.44 178.13 1mp3 n ALA 47 N -1.99 2.71 -0.56 1.53 0.00 0.55 -4.80 120.51 117.96 1mp3 n ALA 47 Ca -0.01 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1mp3 n ALA 47 Cb 0.17 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1mp3 n ALA 47 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mp3 n GLY 48 N 1.19 0.73 3.63 0.00 0.00 0.50 -4.88 105.19 106.36 1mp3 n GLY 48 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1mp3 n GLY 48 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mp3 s ILE 49 N -2.26 4.85 -0.11 -0.61 1.01 -0.91 -4.92 121.20 118.26 1mp3 s ILE 49 Ca 0.00 1.29 0.07 0.00 0.00 0.00 0.00 60.65 62.01 1mp3 s ILE 49 Cb 0.00 -4.08 -0.11 0.00 0.01 0.00 0.00 42.46 38.27 1mp3 s ILE 49 CO 0.00 -0.13 -0.01 0.54 0.00 0.00 0.00 174.94 175.35 1mp3 n ARG 50 N 6.02 1.77 -2.87 2.79 1.74 -1.26 -3.58 116.66 121.27 1mp3 n ARG 50 Ca 0.03 0.02 -0.43 0.00 -0.77 0.00 0.00 57.85 56.70 1mp3 n ARG 50 Cb 0.48 -1.26 -0.04 0.00 -1.02 0.00 0.00 32.46 30.62 1mp3 n ARG 50 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1mp3 s ASP 51 N -4.53 6.17 -0.05 0.55 2.15 -1.23 -2.01 116.67 117.72 1mp3 s ASP 51 Ca -0.09 -1.01 0.06 0.00 0.43 0.00 0.00 52.55 51.94 1mp3 s ASP 51 Cb 0.03 -2.41 -0.02 0.00 -0.30 0.00 0.00 42.92 40.23 1mp3 s ASP 51 CO 0.38 -1.43 -0.23 -0.63 -0.17 0.00 0.00 175.17 173.09 1mp3 s ILE 52 N 3.99 2.24 -0.25 4.11 1.01 -0.75 -1.82 121.20 129.74 1mp3 s ILE 52 Ca 0.22 -1.02 -0.08 0.00 0.00 0.00 0.00 60.65 59.77 1mp3 s ILE 52 Cb -0.17 -1.81 -0.03 0.00 0.01 0.00 0.00 42.46 40.45 1mp3 s ILE 52 CO 0.10 0.57 0.08 -0.22 0.00 0.00 0.00 174.94 175.48 1mp3 s LEU 53 N -0.38 3.51 -0.28 2.97 2.96 0.37 -1.32 118.68 126.51 1mp3 s LEU 53 Ca 0.03 -0.18 -0.11 0.00 -0.22 0.00 0.00 54.13 53.66 1mp3 s LEU 53 Cb -0.12 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.58 1mp3 s LEU 53 CO 0.02 -0.03 0.18 -0.63 -1.32 0.00 0.00 176.35 174.57 1mp3 s ILE 54 N 1.57 5.13 -0.11 6.68 1.01 0.73 -1.40 121.20 134.81 1mp3 s ILE 54 Ca 0.06 0.05 -0.02 0.00 0.00 0.00 0.00 60.65 60.74 1mp3 s ILE 54 Cb -0.15 -3.46 -0.03 0.00 0.01 0.00 0.00 42.46 38.82 1mp3 s ILE 54 CO 0.04 0.23 -0.03 -0.63 0.00 0.00 0.00 174.94 174.55 1mp3 s ILE 55 N 1.73 4.03 0.00 2.92 1.01 -0.54 -1.90 121.20 128.45 1mp3 s ILE 55 Ca 0.07 -0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.38 1mp3 s ILE 55 Cb -0.16 -2.72 0.00 0.00 0.01 0.00 0.00 42.46 39.59 1mp3 s ILE 55 CO 0.10 0.56 0.00 -0.24 0.00 0.00 0.00 174.94 175.35 1mp3 n SER 56 N 2.74 0.00 -4.86 3.58 2.88 -1.16 0.25 113.62 117.05 1mp3 n SER 56 Ca -0.18 -0.50 -0.29 0.00 -1.33 0.00 0.00 58.87 56.57 1mp3 n SER 56 Cb 0.53 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.08 1mp3 n SER 56 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1mp3 s THR 57 N -2.36 2.03 0.31 2.46 -4.23 -1.26 -0.50 115.64 112.09 1mp3 s THR 57 Ca 0.00 -0.04 0.04 0.00 -1.18 0.00 0.00 61.69 60.51 1mp3 s THR 57 Cb 0.00 -3.00 0.10 0.00 1.34 0.00 0.00 72.50 70.94 1mp3 s THR 57 CO 0.00 0.00 1.78 1.55 -0.54 0.00 0.00 174.62 177.41 1mp3 h PRO 58 N -1.04 0.45 0.07 3.99 0.13 -1.86 -0.16 132.00 133.58 1mp3 h PRO 58 Ca -0.46 -0.14 -0.25 0.00 -0.87 0.00 0.00 66.00 64.29 1mp3 h PRO 58 Cb 1.32 -0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 1mp3 h PRO 58 CO 0.64 0.62 -1.12 0.37 -0.23 0.00 0.00 178.00 178.28 1mp3 h GLN 59 N 0.41 0.22 0.00 0.86 4.15 -1.97 -3.37 115.11 115.41 1mp3 h GLN 59 Ca 0.07 -0.33 -0.03 0.00 0.77 0.00 0.00 58.65 59.12 1mp3 h GLN 59 Cb 0.55 0.12 -0.01 0.00 0.21 0.00 0.00 27.48 28.35 1mp3 h GLN 59 CO 0.04 1.13 -1.19 -0.25 -1.93 0.00 0.00 178.83 176.62 1mp3 n ASP 60 N -3.53 0.76 -0.18 -0.69 8.00 -1.15 -4.33 116.55 115.43 1mp3 n ASP 60 Ca -0.06 0.30 -0.01 0.00 0.71 0.00 0.00 54.79 55.73 1mp3 n ASP 60 Cb 0.96 0.55 0.09 0.00 -0.02 0.00 0.00 41.12 42.70 1mp3 n ASP 60 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1mp3 h THR 61 N 0.00 0.73 0.00 -3.53 2.02 -1.18 -0.30 112.91 110.65 1mp3 h THR 61 Ca -0.04 -0.11 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 1mp3 h THR 61 Cb 1.12 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1mp3 h THR 61 CO 0.01 0.06 -0.05 1.55 0.37 0.00 0.00 175.52 177.46 1mp3 h PRO 62 N 0.31 0.00 -0.04 6.66 0.13 -1.79 -1.41 132.00 135.86 1mp3 h PRO 62 Ca 0.28 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.21 1mp3 h PRO 62 Cb 0.37 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.51 1mp3 h PRO 62 CO -0.32 0.05 -0.76 0.00 -0.23 0.00 0.00 178.00 176.74 1mp3 h ARG 63 N 0.00 0.58 0.00 0.86 3.08 -1.28 -0.51 114.38 117.10 1mp3 h ARG 63 Ca -0.00 -0.57 -0.07 0.00 0.07 0.00 0.00 59.98 59.41 1mp3 h ARG 63 Cb 0.30 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.49 1mp3 h ARG 63 CO 0.01 1.19 -0.33 0.74 -1.07 0.00 0.00 179.97 180.50 1mp3 h PHE 64 N 0.18 0.00 -0.11 3.04 -1.00 -1.03 -0.24 116.94 117.79 1mp3 h PHE 64 Ca -0.08 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.58 1mp3 h PHE 64 Cb 1.43 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.97 1mp3 h PHE 64 CO 0.12 0.33 -0.46 0.37 -1.61 0.00 0.00 178.31 177.06 1mp3 h GLN 65 N 0.00 0.26 0.00 1.51 4.15 -1.07 0.25 115.11 120.21 1mp3 h GLN 65 Ca -0.00 -0.14 -0.17 0.00 0.77 0.00 0.00 58.65 59.11 1mp3 h GLN 65 Cb 0.60 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.27 1mp3 h GLN 65 CO 0.04 0.67 -0.80 0.37 -1.93 0.00 0.00 178.83 177.18 1mp3 h GLN 66 N 0.21 0.00 0.18 1.69 4.15 -0.20 0.11 115.11 121.25 1mp3 h GLN 66 Ca 0.01 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 59.13 1mp3 h GLN 66 Cb 0.90 0.00 0.02 0.00 0.21 0.00 0.00 27.48 28.60 1mp3 h GLN 66 CO 0.07 0.80 -1.37 1.25 -1.93 0.00 0.00 178.83 177.66 1mp3 h LEU 67 N 0.00 0.58 0.00 -2.39 7.12 -0.74 -3.40 115.31 116.48 1mp3 h LEU 67 Ca -0.01 -0.64 -0.16 0.00 0.13 0.00 0.00 57.88 57.20 1mp3 h LEU 67 Cb 1.47 -0.19 -0.03 0.00 -0.53 0.00 0.00 40.66 41.38 1mp3 h LEU 67 CO 0.10 1.51 -1.76 0.18 -0.13 0.00 0.00 178.44 178.34 1mp3 n LEU 68 N -3.60 0.00 0.00 2.25 4.77 0.05 -5.09 117.00 115.38 1mp3 n LEU 68 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1mp3 n LEU 68 Cb 1.06 0.21 0.00 0.00 -2.33 0.00 0.00 43.42 42.36 1mp3 n LEU 68 CO 0.56 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.44 1mp3 n GLY 69 N 2.12 0.48 0.01 -0.72 0.00 0.40 -2.63 105.19 104.85 1mp3 n GLY 69 Ca -0.15 -0.87 0.10 0.00 0.00 0.00 0.00 46.02 45.10 1mp3 n GLY 69 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mp3 n ASP 70 N -2.24 0.02 0.00 1.61 5.68 -1.26 -4.72 116.55 115.63 1mp3 n ASP 70 Ca 0.00 -1.36 0.00 0.00 -0.50 0.00 0.00 54.79 52.93 1mp3 n ASP 70 Cb 0.00 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 39.98 1mp3 n ASP 70 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1mp3 n GLY 71 N 0.83 0.46 0.31 6.12 0.00 -1.08 -0.79 105.19 111.03 1mp3 n GLY 71 Ca 0.15 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.32 1mp3 n GLY 71 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1mp3 h SER 72 N 0.00 0.00 0.08 1.61 4.64 -1.83 0.07 113.55 118.12 1mp3 h SER 72 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 1mp3 h SER 72 Cb 0.15 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.24 1mp3 h SER 72 CO 0.00 0.00 -0.05 0.06 -0.87 0.00 0.00 176.83 175.97 1mp3 h GLN 73 N 0.00 0.00 -0.43 4.77 -0.00 -1.89 -0.50 115.11 117.06 1mp3 h GLN 73 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.73 1mp3 h GLN 73 Cb 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.83 1mp3 h GLN 73 CO -0.00 0.05 0.00 0.91 -0.00 0.00 0.00 178.83 179.79 1mp3 n TRP 74 N -4.19 0.98 -1.54 0.06 8.01 -0.21 -4.93 117.44 115.62 1mp3 n TRP 74 Ca -0.03 -0.65 -0.07 0.00 -1.31 0.00 0.00 57.50 55.44 1mp3 n TRP 74 Cb 0.14 -0.19 -0.02 0.00 -2.01 0.00 0.00 31.31 29.23 1mp3 n TRP 74 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1mp3 n GLY 75 N 0.45 0.63 3.81 6.99 0.00 -0.19 -4.57 105.19 112.30 1mp3 n GLY 75 Ca 0.20 -0.67 -0.23 0.00 0.00 0.00 0.00 46.02 45.31 1mp3 n GLY 75 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mp3 s LEU 76 N -1.79 3.22 -0.38 0.99 1.43 -0.16 -4.95 118.68 117.04 1mp3 s LEU 76 Ca 0.00 -0.94 0.02 0.00 -1.03 0.00 0.00 54.13 52.18 1mp3 s LEU 76 Cb 0.00 -1.70 0.11 0.00 0.03 0.00 0.00 46.19 44.63 1mp3 s LEU 76 CO 0.00 -0.62 0.13 0.21 0.23 0.00 0.00 176.35 176.30 1mp3 s ASN 77 N -4.02 4.28 -0.10 2.29 2.47 -0.85 -2.87 114.94 116.12 1mp3 s ASN 77 Ca 0.44 -2.23 -0.08 0.00 0.42 0.00 0.00 52.86 51.40 1mp3 s ASN 77 Cb 0.00 -1.30 -0.04 0.00 -1.45 0.00 0.00 41.25 38.46 1mp3 s ASN 77 CO 0.25 -0.35 0.19 -0.76 -3.72 0.00 0.00 177.10 172.71 1mp3 s LEU 78 N 0.82 4.40 0.21 3.21 1.43 0.03 -1.81 118.68 126.97 1mp3 s LEU 78 Ca 0.13 0.54 0.06 0.00 -1.03 0.00 0.00 54.13 53.83 1mp3 s LEU 78 Cb -0.21 -2.16 -0.05 0.00 0.03 0.00 0.00 46.19 43.80 1mp3 s LEU 78 CO -0.10 0.38 -0.09 -1.10 0.23 0.00 0.00 176.35 175.67 1mp3 s GLN 79 N -0.97 1.32 0.01 1.70 -0.21 -0.43 -4.65 119.66 116.43 1mp3 s GLN 79 Ca 0.16 -1.62 0.02 0.00 0.02 0.00 0.00 55.36 53.95 1mp3 s GLN 79 Cb -0.13 -0.93 -0.01 0.00 1.00 0.00 0.00 33.01 32.95 1mp3 s GLN 79 CO 0.05 0.08 -0.07 0.71 -2.12 0.00 0.00 175.29 173.94 1mp3 s TYR 80 N -3.14 0.65 -0.09 0.91 1.51 -1.26 -0.19 117.35 115.74 1mp3 s TYR 80 Ca 0.24 -0.21 -0.08 0.00 -1.01 0.00 0.00 57.07 56.01 1mp3 s TYR 80 Cb 0.02 -0.41 0.02 0.00 -0.11 0.00 0.00 41.96 41.49 1mp3 s TYR 80 CO 0.07 -0.02 0.23 0.21 -1.11 0.00 0.00 175.55 174.93 1mp3 s LYS 81 N -0.54 0.27 0.19 -0.62 2.20 -0.80 -4.94 119.74 115.50 1mp3 s LYS 81 Ca -0.00 0.33 -0.16 0.00 -0.36 0.00 0.00 55.97 55.78 1mp3 s LYS 81 Cb -0.05 0.12 -0.08 0.00 -1.51 0.00 0.00 37.83 36.32 1mp3 s LYS 81 CO 0.00 -0.04 0.63 0.08 -0.36 0.00 0.00 175.35 175.66 1mp3 s VAL 82 N 0.16 4.73 -0.42 4.02 1.01 -1.26 -2.98 120.40 125.67 1mp3 s VAL 82 Ca -0.00 1.00 -0.08 0.00 0.00 0.00 0.00 61.98 62.90 1mp3 s VAL 82 Cb -0.02 -3.77 0.08 0.00 0.00 0.00 0.00 36.38 32.67 1mp3 s VAL 82 CO 0.00 0.19 0.25 -1.58 0.00 0.00 0.00 175.10 173.96 1mp3 s GLN 83 N -2.05 2.55 0.29 2.72 0.74 0.35 -4.90 119.66 119.35 1mp3 s GLN 83 Ca 0.41 -1.49 -0.00 0.00 0.05 0.00 0.00 55.36 54.33 1mp3 s GLN 83 Cb -0.15 -3.75 0.67 0.00 1.10 0.00 0.00 33.01 30.87 1mp3 s GLN 83 CO 0.20 -0.96 1.60 -1.35 -0.55 0.00 0.00 175.29 174.22 1mp3 h PRO 84 N 8.37 0.06 -3.31 1.67 0.11 -1.96 -3.39 132.00 133.55 1mp3 h PRO 84 Ca -0.22 -0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.73 1mp3 h PRO 84 Cb 1.08 -0.01 -0.23 0.00 0.11 0.00 0.00 31.00 31.95 1mp3 h PRO 84 CO 0.75 0.04 -0.45 0.45 -0.21 0.00 0.00 178.00 178.58 1mp3 s SER 85 N -5.07 -0.12 -0.94 -2.05 0.15 -1.26 -4.78 113.70 99.63 1mp3 s SER 85 Ca -0.13 0.13 -0.20 0.00 0.70 0.00 0.00 55.95 56.45 1mp3 s SER 85 Cb 0.27 0.33 -0.11 0.00 -1.71 0.00 0.00 66.02 64.80 1mp3 s SER 85 CO 0.77 -0.24 1.99 -0.81 1.20 0.00 0.00 173.24 176.15 1mp3 n PRO 86 N 2.15 1.81 -0.38 5.44 -0.04 -1.26 -4.66 135.00 138.05 1mp3 n PRO 86 Ca -0.18 -2.06 0.05 0.00 -0.04 0.00 0.00 63.50 61.28 1mp3 n PRO 86 Cb 0.57 -3.04 0.21 0.00 -0.04 0.00 0.00 33.50 31.19 1mp3 n PRO 86 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1mp3 n ASP 87 N 7.56 3.05 0.00 3.54 8.00 -1.26 -4.98 116.55 132.46 1mp3 n ASP 87 Ca 0.50 -2.31 0.00 0.00 0.71 0.00 0.00 54.79 53.69 1mp3 n ASP 87 Cb 0.41 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 41.03 1mp3 n ASP 87 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mp3 n GLY 88 N 0.66 4.13 0.27 0.44 0.00 -1.26 -1.33 105.19 108.09 1mp3 n GLY 88 Ca 0.15 -1.27 0.08 0.00 0.00 0.00 0.00 46.02 44.98 1mp3 n GLY 88 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1mp3 h THR 89 N 0.00 0.99 0.00 2.61 1.35 -1.92 -1.39 112.91 114.55 1mp3 h THR 89 Ca 0.00 -0.01 -0.02 0.00 -0.55 0.00 0.00 66.41 65.83 1mp3 h THR 89 Cb 0.00 0.97 -0.00 0.00 -1.73 0.00 0.00 68.15 67.39 1mp3 h THR 89 CO 0.00 0.00 -0.09 0.00 -0.25 0.00 0.00 175.52 175.18 1mp3 h ALA 90 N 1.98 1.15 0.00 6.62 0.00 -1.57 -1.87 119.26 125.57 1mp3 h ALA 90 Ca 0.01 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1mp3 h ALA 90 Cb 0.03 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1mp3 h ALA 90 CO -0.00 0.11 0.00 0.37 0.00 0.00 0.00 179.25 179.73 1mp3 h GLN 91 N 0.00 0.00 -0.38 0.00 4.15 -1.39 -2.33 115.11 115.16 1mp3 h GLN 91 Ca -0.00 0.00 0.08 0.00 0.77 0.00 0.00 58.65 59.50 1mp3 h GLN 91 Cb 0.37 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.04 1mp3 h GLN 91 CO 0.01 0.00 0.26 0.00 -1.93 0.00 0.00 178.83 177.17 1mp3 h ALA 92 N 2.04 2.17 0.00 3.38 0.00 -1.49 0.83 119.26 126.19 1mp3 h ALA 92 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1mp3 h ALA 92 Cb 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1mp3 h ALA 92 CO 0.00 -0.26 -0.17 1.19 0.00 0.00 0.00 179.25 180.01 1mp3 n PHE 93 N -4.46 0.11 -0.04 0.00 3.01 -0.88 -1.14 117.46 114.07 1mp3 n PHE 93 Ca 0.05 0.03 -0.21 0.00 1.01 0.00 0.00 57.45 58.34 1mp3 n PHE 93 Cb 0.35 -0.48 -0.13 0.00 -0.01 0.00 0.00 39.48 39.21 1mp3 n PHE 93 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 1mp3 h ILE 94 N 0.00 1.03 -0.49 4.37 2.04 -1.05 -3.02 117.51 120.39 1mp3 h ILE 94 Ca 0.00 -2.32 -0.06 0.00 1.00 0.00 0.00 64.86 63.48 1mp3 h ILE 94 Cb 0.53 2.60 -0.02 0.00 -0.74 0.00 0.00 36.82 39.20 1mp3 h ILE 94 CO 0.00 0.59 0.06 0.40 0.00 0.00 0.00 178.15 179.20 1mp3 h ILE 95 N -0.57 1.25 -0.46 -0.67 2.04 -1.22 -3.04 117.51 114.86 1mp3 h ILE 95 Ca -0.30 -0.96 -0.01 0.00 1.00 0.00 0.00 64.86 64.59 1mp3 h ILE 95 Cb 1.56 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.55 1mp3 h ILE 95 CO -0.03 0.34 0.01 0.61 0.00 0.00 0.00 178.15 179.08 1mp3 n GLY 96 N -0.49 2.69 0.18 5.37 0.00 -0.29 -4.51 105.19 108.14 1mp3 n GLY 96 Ca 0.01 -0.72 -0.05 0.00 0.00 0.00 0.00 46.02 45.26 1mp3 n GLY 96 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1mp3 h GLU 97 N 3.05 0.31 -0.48 1.61 4.22 -1.40 0.92 114.58 122.82 1mp3 h GLU 97 Ca 0.01 -0.02 -0.04 0.00 0.08 0.00 0.00 59.36 59.39 1mp3 h GLU 97 Cb 1.68 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.84 1mp3 h GLU 97 CO 0.40 0.20 0.12 0.93 -2.18 0.00 0.00 179.01 178.48 1mp3 h GLU 98 N 0.32 0.76 -0.85 1.92 3.07 -1.84 -1.35 114.58 116.61 1mp3 h GLU 98 Ca 0.20 -0.18 0.02 0.00 -0.50 0.00 0.00 59.36 58.90 1mp3 h GLU 98 Cb 0.18 -0.10 -0.04 0.00 -0.84 0.00 0.00 28.75 27.95 1mp3 h GLU 98 CO -0.20 0.74 0.56 0.35 -1.40 0.00 0.00 179.01 179.06 1mp3 h PHE 99 N 0.64 1.05 -0.03 4.33 3.57 -1.69 -2.78 116.94 122.02 1mp3 h PHE 99 Ca 0.15 0.03 -0.22 0.00 3.53 0.00 0.00 57.97 61.45 1mp3 h PHE 99 Cb 0.32 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.71 1mp3 h PHE 99 CO 0.02 0.64 -0.90 0.82 -2.23 0.00 0.00 178.31 176.66 1mp3 h ILE 100 N 1.11 1.37 0.00 1.41 2.04 -0.57 -3.49 117.51 119.38 1mp3 h ILE 100 Ca 0.32 -2.32 0.00 0.00 1.00 0.00 0.00 64.86 63.86 1mp3 h ILE 100 Cb -0.07 2.31 0.00 0.00 -0.74 0.00 0.00 36.82 38.32 1mp3 h ILE 100 CO -0.08 0.70 0.00 0.61 0.00 0.00 0.00 178.15 179.38 1mp3 n GLY 101 N 0.87 3.26 1.05 5.37 0.00 -0.53 -1.93 105.19 113.28 1mp3 n GLY 101 Ca -0.07 -0.20 0.11 0.00 0.00 0.00 0.00 46.02 45.85 1mp3 n GLY 101 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1mp3 n HIS 102 N 13.86 0.49 -2.37 1.61 8.25 -1.26 -4.98 115.22 130.83 1mp3 n HIS 102 Ca 0.00 -0.28 -0.25 0.00 -0.26 0.00 0.00 57.72 56.93 1mp3 n HIS 102 Cb 0.00 -0.00 0.11 0.00 1.12 0.00 0.00 29.99 31.22 1mp3 n HIS 102 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1mp3 s ASP 103 N -1.33 4.20 0.55 0.41 1.01 -0.81 -4.68 116.67 116.02 1mp3 s ASP 103 Ca 0.35 -0.05 -0.07 0.00 0.71 0.00 0.00 52.55 53.49 1mp3 s ASP 103 Cb 0.20 -0.33 -0.03 0.00 1.01 0.00 0.00 42.92 43.77 1mp3 s ASP 103 CO 0.28 -1.97 0.89 -1.81 0.21 0.00 0.00 175.17 172.77 1mp3 s ASP 104 N -4.71 6.17 -0.16 0.27 1.11 -1.26 -3.83 116.67 114.25 1mp3 s ASP 104 Ca 0.66 1.09 -0.19 0.00 0.18 0.00 0.00 52.55 54.29 1mp3 s ASP 104 Cb -0.06 -2.27 0.05 0.00 1.07 0.00 0.00 42.92 41.70 1mp3 s ASP 104 CO 0.46 -0.74 0.52 0.00 1.18 0.00 0.00 175.17 176.58 1mp3 s ALA 106 N -0.02 3.90 -0.03 0.00 0.00 0.12 -1.36 121.76 124.37 1mp3 s ALA 106 Ca -0.02 -1.20 -0.01 0.00 0.00 0.00 0.00 51.96 50.72 1mp3 s ALA 106 Cb -0.03 -1.70 0.03 0.00 0.00 0.00 0.00 23.12 21.42 1mp3 s ALA 106 CO 0.02 0.31 0.06 -1.17 0.00 0.00 0.00 175.76 174.98 1mp3 s LEU 107 N -3.80 0.98 -0.01 0.00 2.96 0.11 -0.42 118.68 118.50 1mp3 s LEU 107 Ca 0.34 0.11 0.02 0.00 -0.22 0.00 0.00 54.13 54.39 1mp3 s LEU 107 Cb -0.09 0.05 -0.00 0.00 0.50 0.00 0.00 46.19 46.64 1mp3 s LEU 107 CO 0.28 -0.13 -0.08 0.54 -1.32 0.00 0.00 176.35 175.64 1mp3 s VAL 108 N 1.10 0.66 0.38 1.68 0.11 -0.31 0.19 120.40 124.20 1mp3 s VAL 108 Ca -0.09 -0.34 -0.26 0.00 -2.93 0.00 0.00 61.98 58.36 1mp3 s VAL 108 Cb -0.12 -0.56 -0.09 0.00 -1.53 0.00 0.00 36.38 34.07 1mp3 s VAL 108 CO -0.04 0.19 1.13 -0.76 -3.33 0.00 0.00 175.10 172.29 1mp3 s LEU 109 N -0.09 4.24 0.26 2.54 1.43 0.38 -2.09 118.68 125.36 1mp3 s LEU 109 Ca 0.02 2.26 0.22 0.00 -1.03 0.00 0.00 54.13 55.60 1mp3 s LEU 109 Cb -0.04 -3.99 1.00 0.00 0.03 0.00 0.00 46.19 43.18 1mp3 s LEU 109 CO -0.00 -0.53 1.67 0.61 0.23 0.00 0.00 176.35 178.33 1mp3 n GLY 110 N 0.65 -1.13 0.84 -3.19 0.00 -0.39 -2.61 105.19 99.37 1mp3 n GLY 110 Ca 0.03 0.11 0.08 0.00 0.00 0.00 0.00 46.02 46.25 1mp3 n GLY 110 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1mp3 n ASP 111 N -2.20 3.75 -4.66 1.61 5.75 -1.26 -4.40 116.55 115.14 1mp3 n ASP 111 Ca 0.01 -2.92 -0.37 0.00 -0.01 0.00 0.00 54.79 51.50 1mp3 n ASP 111 Cb 0.17 -0.51 -0.09 0.00 -1.03 0.00 0.00 41.12 39.65 1mp3 n ASP 111 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1mp3 s ASN 112 N -1.87 6.16 -0.20 -1.12 0.02 -1.07 -3.39 114.94 113.47 1mp3 s ASN 112 Ca 0.40 0.17 -0.03 0.00 -1.02 0.00 0.00 52.86 52.37 1mp3 s ASN 112 Cb 0.32 -2.12 -0.01 0.00 0.02 0.00 0.00 41.25 39.45 1mp3 s ASN 112 CO 0.09 0.04 -0.05 -0.63 0.02 0.00 0.00 177.10 176.57 1mp3 s ILE 113 N 1.13 3.39 -0.12 0.60 1.09 -0.87 -3.73 121.20 122.69 1mp3 s ILE 113 Ca 0.09 -0.50 0.01 0.00 -1.10 0.00 0.00 60.65 59.15 1mp3 s ILE 113 Cb -0.14 -2.52 -0.01 0.00 -1.06 0.00 0.00 42.46 38.73 1mp3 s ILE 113 CO 0.05 0.45 -0.16 -0.36 -0.10 0.00 0.00 174.94 174.82 1mp3 s PHE 114 N 1.18 2.74 -0.07 3.97 0.40 -1.26 -1.39 117.98 123.55 1mp3 s PHE 114 Ca 0.02 -0.76 -0.06 0.00 -0.60 0.00 0.00 56.93 55.53 1mp3 s PHE 114 Cb -0.14 -1.81 0.02 0.00 0.51 0.00 0.00 43.02 41.60 1mp3 s PHE 114 CO -0.01 -0.28 0.17 -0.47 0.70 0.00 0.00 175.22 175.34 1mp3 s TYR 115 N 0.36 -0.19 0.00 0.36 5.04 -0.25 -4.98 117.35 117.69 1mp3 s TYR 115 Ca -0.13 0.48 0.00 0.00 -2.44 0.00 0.00 57.07 54.98 1mp3 s TYR 115 Cb -0.16 0.05 0.00 0.00 0.35 0.00 0.00 41.96 42.20 1mp3 s TYR 115 CO 0.06 -0.10 0.00 0.41 -1.34 0.00 0.00 175.55 174.58 1mp3 n GLY 116 N 3.15 3.60 3.72 8.97 0.00 -1.26 0.40 105.19 123.77 1mp3 n GLY 116 Ca -0.14 -0.46 -0.42 0.00 0.00 0.00 0.00 46.02 45.00 1mp3 n GLY 116 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1mp3 s HIS 117 N -1.73 2.95 -0.82 1.61 2.46 -1.26 -1.99 115.29 116.51 1mp3 s HIS 117 Ca 0.00 0.50 0.00 0.00 0.47 0.00 0.00 55.06 56.03 1mp3 s HIS 117 Cb 0.00 -4.05 0.00 0.00 -0.13 0.00 0.00 32.58 28.40 1mp3 s HIS 117 CO 0.00 -3.89 0.00 -0.25 -2.47 0.00 0.00 174.74 168.13 1mp3 n ASP 118 N 3.75 -3.46 -0.14 9.88 8.00 -1.26 -4.93 116.55 128.39 1mp3 n ASP 118 Ca 0.14 0.08 -0.11 0.00 0.71 0.00 0.00 54.79 55.61 1mp3 n ASP 118 Cb 0.37 -2.34 -0.01 0.00 -0.02 0.00 0.00 41.12 39.11 1mp3 n ASP 118 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 1mp3 h LEU 119 N 0.00 0.80 -0.78 0.64 5.85 -1.80 -2.59 115.31 117.43 1mp3 h LEU 119 Ca -0.20 -0.36 0.05 0.00 0.84 0.00 0.00 57.88 58.22 1mp3 h LEU 119 Cb 0.92 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.68 1mp3 h LEU 119 CO 0.25 0.97 0.48 -0.65 -0.34 0.00 0.00 178.44 179.15 1mp3 h PRO 120 N 0.62 0.87 -0.26 5.25 0.11 -1.87 -2.43 132.00 134.30 1mp3 h PRO 120 Ca 0.11 -0.05 0.04 0.00 0.11 0.00 0.00 66.00 66.20 1mp3 h PRO 120 Cb 0.62 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.50 1mp3 h PRO 120 CO 0.04 0.57 0.04 -0.22 -0.21 0.00 0.00 178.00 178.23 1mp3 h LYS 121 N 0.90 0.13 -0.86 1.05 3.64 -1.87 -0.57 116.57 118.98 1mp3 h LYS 121 Ca 0.33 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.73 1mp3 h LYS 121 Cb 0.12 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.86 1mp3 h LYS 121 CO -0.15 0.09 0.57 1.25 -2.27 0.00 0.00 179.45 178.94 1mp3 h LEU 122 N 0.14 0.94 -0.15 5.20 5.85 -1.11 -2.66 115.31 123.53 1mp3 h LEU 122 Ca 0.12 -0.01 -0.23 0.00 0.84 0.00 0.00 57.88 58.60 1mp3 h LEU 122 Cb 0.12 -0.22 0.01 0.00 0.37 0.00 0.00 40.66 40.94 1mp3 h LEU 122 CO -0.16 0.66 -0.79 0.24 -0.34 0.00 0.00 178.44 178.05 1mp3 h MET 123 N 1.10 0.79 -0.44 1.25 2.86 -0.98 -3.22 114.93 116.30 1mp3 h MET 123 Ca 0.34 -0.66 0.11 0.00 -2.06 0.00 0.00 59.70 57.43 1mp3 h MET 123 Cb -0.02 0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.76 1mp3 h MET 123 CO -0.09 1.26 0.31 1.49 1.06 0.00 0.00 176.91 180.94 1mp3 h GLU 124 N 0.53 0.08 -0.59 1.72 4.81 -0.76 0.28 114.58 120.65 1mp3 h GLU 124 Ca -0.06 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 1mp3 h GLU 124 Cb 1.42 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.76 1mp3 h GLU 124 CO 0.16 0.06 0.20 0.00 -0.73 0.00 0.00 179.01 178.70 1mp3 h ALA 125 N 1.78 0.78 -0.03 2.92 0.00 -1.53 -1.26 119.26 121.92 1mp3 h ALA 125 Ca 0.21 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 1mp3 h ALA 125 Cb 0.71 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1mp3 h ALA 125 CO -0.02 0.43 -0.66 0.00 0.00 0.00 0.00 179.25 179.00 1mp3 h ALA 126 N 1.06 0.83 -0.03 0.00 0.00 -0.80 -2.77 119.26 117.55 1mp3 h ALA 126 Ca 0.19 -0.59 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 1mp3 h ALA 126 Cb 0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1mp3 h ALA 126 CO -0.01 0.79 -0.35 0.28 0.00 0.00 0.00 179.25 179.95 1mp3 h VAL 127 N 0.10 1.26 0.00 0.00 2.07 -0.13 -3.05 116.25 116.51 1mp3 h VAL 127 Ca -0.01 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.25 1mp3 h VAL 127 Cb 1.18 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.58 1mp3 h VAL 127 CO 0.10 0.36 -0.80 0.78 0.02 0.00 0.00 177.57 178.03 1mp3 h ASN 128 N 0.06 0.00 -1.91 0.57 2.35 -1.14 -0.71 115.58 114.79 1mp3 h ASN 128 Ca 0.01 -0.17 -0.63 0.00 -0.55 0.00 0.00 56.30 54.96 1mp3 h ASN 128 Cb 0.65 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.04 1mp3 h ASN 128 CO 0.05 0.08 1.13 1.17 -1.65 0.00 0.00 177.43 178.21 1mp3 n LYS 129 N -2.28 2.00 0.04 0.81 4.81 -1.06 -4.70 118.16 117.79 1mp3 n LYS 129 Ca 0.02 0.72 0.10 0.00 -0.87 0.00 0.00 58.31 58.28 1mp3 n LYS 129 Cb 0.48 -2.61 0.55 0.00 0.02 0.00 0.00 35.03 33.46 1mp3 n LYS 129 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1mp3 h GLU 130 N 9.56 0.26 -2.98 1.64 4.22 -1.91 -3.45 114.58 121.93 1mp3 h GLU 130 Ca -0.46 -0.02 0.07 0.00 0.08 0.00 0.00 59.36 59.03 1mp3 h GLU 130 Cb 1.28 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.42 1mp3 h GLU 130 CO 0.96 0.17 0.24 -1.54 -2.18 0.00 0.00 179.01 176.66 1mp3 s SER 131 N -6.57 -0.24 0.00 1.04 1.04 -1.26 -4.57 113.70 103.14 1mp3 s SER 131 Ca -0.07 -0.63 0.00 0.00 0.48 0.00 0.00 55.95 55.73 1mp3 s SER 131 Cb 0.18 0.73 0.00 0.00 0.10 0.00 0.00 66.02 67.03 1mp3 s SER 131 CO 0.72 -1.35 0.00 0.61 0.98 0.00 0.00 173.24 174.20 1mp3 n GLY 132 N -0.47 0.19 3.23 7.32 0.00 -1.26 -4.95 105.19 109.25 1mp3 n GLY 132 Ca -0.04 -1.64 -0.11 0.00 0.00 0.00 0.00 46.02 44.22 1mp3 n GLY 132 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mp3 s ALA 133 N -1.86 -0.60 -0.08 4.61 0.00 -0.94 -1.46 121.76 121.42 1mp3 s ALA 133 Ca 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 51.96 51.92 1mp3 s ALA 133 Cb 0.00 0.28 0.02 0.00 0.00 0.00 0.00 23.12 23.43 1mp3 s ALA 133 CO 0.00 -0.38 -0.04 0.99 0.00 0.00 0.00 175.76 176.33 1mp3 s THR 134 N -2.41 0.66 0.32 0.00 2.01 0.18 -1.84 115.64 114.56 1mp3 s THR 134 Ca -0.06 -0.09 0.08 0.00 0.31 0.00 0.00 61.69 61.93 1mp3 s THR 134 Cb -0.01 -0.73 -0.06 0.00 0.01 0.00 0.00 72.50 71.70 1mp3 s THR 134 CO -0.03 0.29 -0.07 0.68 -0.69 0.00 0.00 174.62 174.81 1mp3 s VAL 135 N 1.62 1.94 -0.06 3.82 -7.23 -0.75 -1.73 120.40 118.01 1mp3 s VAL 135 Ca 0.01 -2.16 0.05 0.00 -1.81 0.00 0.00 61.98 58.08 1mp3 s VAL 135 Cb -0.13 -2.58 -0.01 0.00 0.56 0.00 0.00 36.38 34.21 1mp3 s VAL 135 CO -0.05 -0.23 -0.23 -0.36 -0.31 0.00 0.00 175.10 173.93 1mp3 s PHE 136 N -2.81 2.50 -0.17 2.82 0.40 -1.26 -0.70 117.98 118.76 1mp3 s PHE 136 Ca 0.31 -0.63 -0.08 0.00 -0.60 0.00 0.00 56.93 55.93 1mp3 s PHE 136 Cb 0.04 -1.62 -0.05 0.00 0.51 0.00 0.00 43.02 41.90 1mp3 s PHE 136 CO 0.15 -0.16 0.12 0.00 0.70 0.00 0.00 175.22 176.03 1mp3 s ALA 137 N -0.21 3.69 -0.03 5.36 0.00 -0.22 -0.98 121.76 129.36 1mp3 s ALA 137 Ca -0.02 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.26 1mp3 s ALA 137 Cb -0.13 -2.05 0.02 0.00 0.00 0.00 0.00 23.12 20.96 1mp3 s ALA 137 CO 0.03 0.31 -0.02 -0.47 0.00 0.00 0.00 175.76 175.61 1mp3 s TYR 138 N -0.08 0.47 -0.09 0.00 5.04 0.29 -0.71 117.35 122.27 1mp3 s TYR 138 Ca 0.09 -0.08 -0.30 0.00 -2.44 0.00 0.00 57.07 54.35 1mp3 s TYR 138 Cb -0.11 -0.47 -0.04 0.00 0.35 0.00 0.00 41.96 41.69 1mp3 s TYR 138 CO 0.00 -0.13 1.41 -1.58 -1.34 0.00 0.00 175.55 173.91 1mp3 s HIS 139 N 0.84 2.61 0.21 4.97 5.65 -1.26 -0.54 115.29 127.76 1mp3 s HIS 139 Ca -0.09 0.73 0.05 0.00 0.25 0.00 0.00 55.06 56.00 1mp3 s HIS 139 Cb -0.13 -3.66 -0.05 0.00 -1.18 0.00 0.00 32.58 27.56 1mp3 s HIS 139 CO -0.01 -2.50 -0.07 0.14 -0.65 0.00 0.00 174.74 171.65 1mp3 s VAL 140 N 3.33 1.32 0.05 0.89 -7.23 -0.30 -4.96 120.40 113.50 1mp3 s VAL 140 Ca 0.62 -2.10 0.11 0.00 -1.81 0.00 0.00 61.98 58.81 1mp3 s VAL 140 Cb -0.28 -2.13 -0.08 0.00 0.56 0.00 0.00 36.38 34.45 1mp3 s VAL 140 CO 0.22 -0.52 1.40 -0.55 -0.31 0.00 0.00 175.10 175.35 1mp3 h ASN 141 N 2.56 0.00 -2.11 4.85 -1.07 -1.95 -3.39 115.58 114.48 1mp3 h ASN 141 Ca -0.38 0.00 -0.58 0.00 0.07 0.00 0.00 56.30 55.41 1mp3 h ASN 141 Cb 1.21 0.00 -0.41 0.00 -2.07 0.00 0.00 38.32 37.06 1mp3 h ASN 141 CO 0.64 0.76 -0.82 -0.67 0.07 0.00 0.00 177.43 177.41 1mp3 n ASP 142 N -3.37 2.21 0.09 6.14 2.03 -1.26 -4.95 116.55 117.44 1mp3 n ASP 142 Ca 0.00 -3.12 0.19 0.00 0.52 0.00 0.00 54.79 52.38 1mp3 n ASP 142 Cb 0.81 -0.65 0.73 0.00 -0.72 0.00 0.00 41.12 41.29 1mp3 n ASP 142 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1mp3 h PRO 143 N 4.06 0.00 -0.60 -0.67 0.13 -1.86 -2.64 132.00 130.42 1mp3 h PRO 143 Ca 0.14 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 65.45 1mp3 h PRO 143 Cb 0.76 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.86 1mp3 h PRO 143 CO 0.67 0.00 0.47 0.93 -0.23 0.00 0.00 178.00 179.84 1mp3 h GLU 144 N 0.00 0.00 0.00 0.86 3.07 -1.91 0.20 114.58 116.80 1mp3 h GLU 144 Ca 0.18 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.04 1mp3 h GLU 144 Cb 0.82 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.73 1mp3 h GLU 144 CO -0.00 0.00 0.00 0.54 -1.40 0.00 0.00 179.01 178.15 1mp3 n ARG 145 N -4.20 0.08 -2.70 2.33 1.74 -0.99 -3.80 116.66 109.11 1mp3 n ARG 145 Ca 0.12 0.05 -0.08 0.00 -0.77 0.00 0.00 57.85 57.17 1mp3 n ARG 145 Cb 0.71 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.63 1mp3 n ARG 145 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1mp3 n TYR 146 N -1.46 0.14 -2.80 -1.55 4.02 0.70 -4.80 117.16 111.41 1mp3 n TYR 146 Ca 0.08 -0.72 -0.42 0.00 -0.01 0.00 0.00 57.90 56.82 1mp3 n TYR 146 Cb 0.28 -0.03 -0.03 0.00 -0.02 0.00 0.00 39.34 39.54 1mp3 n TYR 146 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 1mp3 s GLY 147 N -1.73 1.87 -0.09 2.72 0.00 -1.26 -1.68 107.32 107.14 1mp3 s GLY 147 Ca 0.04 0.05 -0.06 0.00 0.00 0.00 0.00 44.72 44.75 1mp3 s GLY 147 CO 0.03 1.91 0.14 0.14 0.00 0.00 0.00 173.10 175.32 1mp3 s VAL 148 N 2.73 5.41 -0.11 1.40 1.01 -0.63 0.41 120.40 130.63 1mp3 s VAL 148 Ca 0.40 0.09 -0.00 0.00 0.00 0.00 0.00 61.98 62.47 1mp3 s VAL 148 Cb -0.16 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.81 1mp3 s VAL 148 CO 0.09 0.55 -0.10 0.54 0.00 0.00 0.00 175.10 176.18 1mp3 s VAL 149 N -1.09 3.38 -0.13 2.92 0.11 -0.42 -2.24 120.40 122.94 1mp3 s VAL 149 Ca 0.18 -0.56 -0.11 0.00 -2.93 0.00 0.00 61.98 58.56 1mp3 s VAL 149 Cb -0.12 -2.42 -0.05 0.00 -1.53 0.00 0.00 36.38 32.27 1mp3 s VAL 149 CO 0.07 0.54 0.22 -0.70 -3.33 0.00 0.00 175.10 171.90 1mp3 s GLU 150 N -0.01 3.89 0.07 1.54 2.12 -0.41 -4.57 118.70 121.33 1mp3 s GLU 150 Ca -0.02 -0.00 0.08 0.00 0.36 0.00 0.00 54.97 55.39 1mp3 s GLU 150 Cb -0.14 -3.31 -0.03 0.00 0.26 0.00 0.00 34.13 30.91 1mp3 s GLU 150 CO 0.03 0.52 -0.21 -0.06 -0.54 0.00 0.00 175.26 175.01 1mp3 s PHE 151 N -0.34 2.48 0.00 5.30 0.40 -1.26 -0.20 117.98 124.35 1mp3 s PHE 151 Ca 0.15 -0.30 0.00 0.00 -0.60 0.00 0.00 56.93 56.18 1mp3 s PHE 151 Cb -0.13 -1.39 0.00 0.00 0.51 0.00 0.00 43.02 42.01 1mp3 s PHE 151 CO 0.04 0.28 0.00 -0.40 0.70 0.00 0.00 175.22 175.84 1mp3 n ASP 152 N 1.31 0.00 0.04 1.36 5.68 -0.25 -4.83 116.55 119.85 1mp3 n ASP 152 Ca -0.16 -0.95 -0.11 0.00 -0.50 0.00 0.00 54.79 53.07 1mp3 n ASP 152 Cb 0.52 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.45 1mp3 n ASP 152 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 1mp3 h GLN 153 N 0.00 -0.09 0.00 0.11 7.50 -2.01 -0.94 115.11 119.67 1mp3 h GLN 153 Ca 0.00 0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.16 1mp3 h GLN 153 Cb 0.00 0.02 0.00 0.00 0.05 0.00 0.00 27.48 27.55 1mp3 h GLN 153 CO 0.00 -0.06 0.00 0.00 -1.50 0.00 0.00 178.83 177.27 1mp3 h ALA 154 N 0.92 1.00 -0.28 3.87 0.00 -2.06 -3.44 119.26 119.27 1mp3 h ALA 154 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1mp3 h ALA 154 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1mp3 h ALA 154 CO -0.08 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.58 1mp3 n GLY 155 N -1.14 1.09 3.55 0.00 0.00 -0.36 -5.09 105.19 103.25 1mp3 n GLY 155 Ca -0.02 -0.33 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 1mp3 n GLY 155 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mp3 s THR 156 N -2.28 4.09 0.23 2.61 2.01 -1.26 -4.79 115.64 116.25 1mp3 s THR 156 Ca 0.00 -0.30 -0.31 0.00 0.31 0.00 0.00 61.69 61.39 1mp3 s THR 156 Cb 0.00 -2.78 -0.11 0.00 0.01 0.00 0.00 72.50 69.62 1mp3 s THR 156 CO 0.00 0.51 1.61 0.00 -0.69 0.00 0.00 174.62 176.05 1mp3 s ALA 157 N 0.12 3.80 0.00 7.40 0.00 -1.26 -1.09 121.76 130.73 1mp3 s ALA 157 Ca 0.00 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.46 1mp3 s ALA 157 Cb -0.13 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.34 1mp3 s ALA 157 CO 0.02 -0.89 0.00 1.33 0.00 0.00 0.00 175.76 176.23 1mp3 n VAL 158 N 3.17 0.00 -3.88 0.00 0.24 0.72 -4.92 118.33 113.66 1mp3 n VAL 158 Ca 0.12 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.32 1mp3 n VAL 158 Cb 0.37 -0.81 -0.06 0.00 -1.47 0.00 0.00 33.84 31.87 1mp3 n VAL 158 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1mp3 s SER 159 N -2.63 -0.00 -0.01 -1.34 1.04 -1.23 -5.00 113.70 104.53 1mp3 s SER 159 Ca 0.00 -0.72 0.01 0.00 0.48 0.00 0.00 55.95 55.72 1mp3 s SER 159 Cb 0.00 0.44 0.01 0.00 0.10 0.00 0.00 66.02 66.56 1mp3 s SER 159 CO 0.00 -0.87 -0.02 -0.76 0.98 0.00 0.00 173.24 172.57 1mp3 s LEU 160 N -2.92 1.78 -0.03 2.42 1.43 -1.26 -1.29 118.68 118.81 1mp3 s LEU 160 Ca 0.12 -0.04 -0.00 0.00 -1.03 0.00 0.00 54.13 53.18 1mp3 s LEU 160 Cb 0.03 -0.16 0.03 0.00 0.03 0.00 0.00 46.19 46.11 1mp3 s LEU 160 CO -0.04 -0.00 0.01 -1.61 0.23 0.00 0.00 176.35 174.94 1mp3 s GLU 161 N 0.23 0.22 -0.29 1.70 2.02 -0.95 -4.98 118.70 116.65 1mp3 s GLU 161 Ca -0.02 0.15 -0.28 0.00 0.02 0.00 0.00 54.97 54.84 1mp3 s GLU 161 Cb -0.05 -0.50 0.01 0.00 0.10 0.00 0.00 34.13 33.69 1mp3 s GLU 161 CO -0.01 -0.19 1.01 -2.00 0.02 0.00 0.00 175.26 174.10 1mp3 s GLU 162 N 1.31 4.11 -1.26 1.61 2.56 -1.26 -1.60 118.70 124.18 1mp3 s GLU 162 Ca -0.06 1.08 -0.13 0.00 0.00 0.00 0.00 54.97 55.86 1mp3 s GLU 162 Cb -0.13 -3.70 -0.00 0.00 2.00 0.00 0.00 34.13 32.29 1mp3 s GLU 162 CO -0.02 -0.78 0.63 1.63 -0.56 0.00 0.00 175.26 176.16 1mp3 n LYS 163 N 6.58 -2.13 -2.21 4.30 5.02 -0.68 -4.92 118.16 124.12 1mp3 n LYS 163 Ca 0.10 0.42 -0.36 0.00 -2.02 0.00 0.00 58.31 56.45 1mp3 n LYS 163 Cb 0.47 -4.22 0.01 0.00 -0.02 0.00 0.00 35.03 31.27 1mp3 n LYS 163 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1mp3 s PRO 164 N -6.30 3.39 0.13 1.97 0.04 -1.25 -4.93 135.00 128.05 1mp3 s PRO 164 Ca 0.27 1.70 -0.15 0.00 0.04 0.00 0.00 61.00 62.86 1mp3 s PRO 164 Cb -0.10 -2.10 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 1mp3 s PRO 164 CO 0.88 -0.84 1.62 -0.07 0.04 0.00 0.00 177.00 178.63 1mp3 h LEU 165 N 1.36 0.66 -7.30 -3.56 3.38 -1.91 -3.36 115.31 104.58 1mp3 h LEU 165 Ca -0.50 -0.25 -0.63 0.00 0.09 0.00 0.00 57.88 56.59 1mp3 h LEU 165 Cb 1.27 -0.17 -0.41 0.00 0.09 0.00 0.00 40.66 41.43 1mp3 h LEU 165 CO 0.57 0.74 -0.65 -1.10 0.09 0.00 0.00 178.44 178.09 1mp3 s GLN 166 N -5.24 1.83 0.28 1.13 -0.21 -1.26 -5.00 119.66 111.19 1mp3 s GLN 166 Ca -0.13 -2.49 -0.29 0.00 0.02 0.00 0.00 55.36 52.47 1mp3 s GLN 166 Cb 0.10 -3.11 -0.14 0.00 1.00 0.00 0.00 33.01 30.86 1mp3 s GLN 166 CO 0.78 -1.12 1.15 -2.30 -2.12 0.00 0.00 175.29 171.68 1mp3 n PRO 167 N 3.21 1.58 -0.05 2.91 -0.02 -1.26 -4.86 135.00 136.52 1mp3 n PRO 167 Ca 0.06 0.56 0.10 0.00 -2.02 0.00 0.00 63.50 62.20 1mp3 n PRO 167 Cb 0.33 -2.03 0.46 0.00 -0.02 0.00 0.00 33.50 32.24 1mp3 n PRO 167 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1mp3 n LYS 168 N 1.03 1.46 -3.94 -0.52 5.02 -1.26 -4.91 118.16 115.03 1mp3 n LYS 168 Ca 0.10 -0.69 0.02 0.00 -2.02 0.00 0.00 58.31 55.72 1mp3 n LYS 168 Cb 0.32 -1.37 0.01 0.00 -0.02 0.00 0.00 35.03 33.97 1mp3 n LYS 168 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1mp3 n SER 169 N -0.10 -1.23 -1.10 4.39 3.41 -1.26 -4.78 113.62 112.95 1mp3 n SER 169 Ca 0.16 -1.31 0.08 0.00 -0.26 0.00 0.00 58.87 57.54 1mp3 n SER 169 Cb 0.24 1.92 0.27 0.00 -0.26 0.00 0.00 64.21 66.37 1mp3 n SER 169 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1mp3 n ASN 170 N -1.08 3.98 -4.52 4.04 3.02 -1.26 -4.82 115.26 114.62 1mp3 n ASN 170 Ca 0.04 -2.52 -0.41 0.00 -0.03 0.00 0.00 54.58 51.66 1mp3 n ASN 170 Cb 0.57 -0.47 -0.10 0.00 -0.61 0.00 0.00 39.78 39.17 1mp3 n ASN 170 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1mp3 s TYR 171 N -1.95 3.22 0.06 3.10 1.51 -1.26 -1.15 117.35 120.88 1mp3 s TYR 171 Ca 0.40 -0.21 -0.02 0.00 -1.01 0.00 0.00 57.07 56.23 1mp3 s TYR 171 Cb 0.28 -2.59 -0.04 0.00 -0.11 0.00 0.00 41.96 39.50 1mp3 s TYR 171 CO 0.17 -0.44 0.24 0.00 -1.11 0.00 0.00 175.55 174.41 1mp3 s ALA 172 N 1.85 3.95 -0.13 3.71 0.00 0.29 -1.30 121.76 130.14 1mp3 s ALA 172 Ca 0.08 -0.76 -0.29 0.00 0.00 0.00 0.00 51.96 50.99 1mp3 s ALA 172 Cb -0.17 -1.91 -0.01 0.00 0.00 0.00 0.00 23.12 21.03 1mp3 s ALA 172 CO 0.11 0.78 0.97 0.08 0.00 0.00 0.00 175.76 177.70 1mp3 s VAL 173 N -1.50 4.80 1.19 0.00 1.01 0.17 -0.55 120.40 125.51 1mp3 s VAL 173 Ca 0.34 1.96 -0.19 0.00 0.00 0.00 0.00 61.98 64.10 1mp3 s VAL 173 Cb -0.13 -4.28 0.28 0.00 0.00 0.00 0.00 36.38 32.25 1mp3 s VAL 173 CO 0.25 -0.00 1.10 0.42 0.00 0.00 0.00 175.10 176.87 1mp3 s THR 174 N 2.11 1.63 -0.41 3.92 -4.23 -0.16 -4.55 115.64 113.97 1mp3 s THR 174 Ca 0.46 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 61.02 1mp3 s THR 174 Cb -0.18 -2.47 0.45 0.00 1.34 0.00 0.00 72.50 71.64 1mp3 s THR 174 CO 0.16 0.00 1.41 0.61 -0.54 0.00 0.00 174.62 176.26 1mp3 n GLY 175 N -0.88 2.96 3.18 3.99 0.00 -1.26 -4.80 105.19 108.37 1mp3 n GLY 175 Ca 0.12 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.20 1mp3 n GLY 175 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1mp3 s LEU 176 N -1.84 2.19 0.01 0.99 2.96 -1.26 -0.47 118.68 121.27 1mp3 s LEU 176 Ca 0.34 -0.59 0.01 0.00 -0.22 0.00 0.00 54.13 53.67 1mp3 s LEU 176 Cb 0.27 -1.48 -0.01 0.00 0.50 0.00 0.00 46.19 45.47 1mp3 s LEU 176 CO 0.08 0.06 -0.05 -0.31 -1.32 0.00 0.00 176.35 174.82 1mp3 s TYR 177 N 0.93 0.41 -0.16 5.38 1.51 0.13 -4.30 117.35 121.25 1mp3 s TYR 177 Ca -0.04 -0.25 0.01 0.00 -1.01 0.00 0.00 57.07 55.78 1mp3 s TYR 177 Cb -0.15 -0.26 0.02 0.00 -0.11 0.00 0.00 41.96 41.46 1mp3 s TYR 177 CO -0.04 -0.05 -0.19 -0.06 -1.11 0.00 0.00 175.55 174.10 1mp3 s PHE 178 N -0.65 2.53 0.24 2.71 0.40 -0.71 0.09 117.98 122.59 1mp3 s PHE 178 Ca -0.04 -1.41 0.10 0.00 -0.60 0.00 0.00 56.93 54.98 1mp3 s PHE 178 Cb -0.05 -1.77 -0.05 0.00 0.51 0.00 0.00 43.02 41.66 1mp3 s PHE 178 CO -0.00 -0.70 -0.19 0.71 0.70 0.00 0.00 175.22 175.74 1mp3 s TYR 179 N 1.21 2.08 0.73 0.36 1.51 -0.46 -0.65 117.35 122.12 1mp3 s TYR 179 Ca 0.01 -0.42 -0.01 0.00 -1.01 0.00 0.00 57.07 55.65 1mp3 s TYR 179 Cb -0.14 -0.94 0.15 0.00 -0.11 0.00 0.00 41.96 40.92 1mp3 s TYR 179 CO -0.09 0.56 0.99 -0.40 -1.11 0.00 0.00 175.55 175.50 1mp3 n ASP 180 N -0.40 1.26 0.23 2.29 5.68 -0.54 -2.09 116.55 122.98 1mp3 n ASP 180 Ca -0.07 -2.08 0.16 0.00 -0.50 0.00 0.00 54.79 52.29 1mp3 n ASP 180 Cb 0.59 -0.65 0.76 0.00 -1.14 0.00 0.00 41.12 40.69 1mp3 n ASP 180 CO 0.00 0.00 0.00 -1.13 -1.33 0.00 0.00 177.20 174.74 1mp3 h ASN 181 N -0.64 0.00 0.45 -1.12 -0.73 -1.83 -2.78 115.58 108.92 1mp3 h ASN 181 Ca -0.33 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.84 1mp3 h ASN 181 Cb 1.19 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.78 1mp3 h ASN 181 CO 0.35 0.00 0.00 -1.54 -0.37 0.00 0.00 177.43 175.87 1mp3 n SER 182 N -2.63 0.03 -0.22 1.15 3.41 -1.26 -3.03 113.62 111.07 1mp3 n SER 182 Ca -0.01 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 1mp3 n SER 182 Cb 0.13 -0.51 0.24 0.00 -0.26 0.00 0.00 64.21 63.81 1mp3 n SER 182 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1mp3 h VAL 183 N 0.00 1.19 -0.55 -3.33 3.04 -1.87 -3.04 116.25 111.70 1mp3 h VAL 183 Ca 0.00 -0.36 0.03 0.00 -1.01 0.00 0.00 66.70 65.36 1mp3 h VAL 183 Cb 0.23 0.09 -0.04 0.00 -2.01 0.00 0.00 31.29 29.56 1mp3 h VAL 183 CO 0.00 0.19 0.33 0.58 -1.01 0.00 0.00 177.57 177.65 1mp3 h VAL 184 N 1.02 1.05 -0.23 1.51 2.07 -1.81 -1.25 116.25 118.61 1mp3 h VAL 184 Ca 0.28 -0.22 -0.09 0.00 0.82 0.00 0.00 66.70 67.49 1mp3 h VAL 184 Cb -0.12 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 1mp3 h VAL 184 CO -0.06 0.12 -0.22 -0.08 0.02 0.00 0.00 177.57 177.34 1mp3 h GLU 185 N 0.65 0.43 -0.44 1.57 4.57 -1.76 -1.63 114.58 117.96 1mp3 h GLU 185 Ca 0.22 -0.15 -0.07 0.00 -1.18 0.00 0.00 59.36 58.19 1mp3 h GLU 185 Cb 0.03 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 1mp3 h GLU 185 CO -0.10 0.63 0.01 0.52 -1.18 0.00 0.00 179.01 178.89 1mp3 h MET 186 N 0.38 0.77 -0.53 1.92 2.86 -1.30 -2.77 114.93 116.28 1mp3 h MET 186 Ca 0.06 -0.24 -0.08 0.00 -2.06 0.00 0.00 59.70 57.38 1mp3 h MET 186 Cb 0.61 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 1mp3 h MET 186 CO 0.04 0.83 0.02 0.00 1.06 0.00 0.00 176.91 178.86 1mp3 h ALA 187 N 0.91 0.71 0.00 6.32 0.00 -1.00 -1.44 119.26 124.76 1mp3 h ALA 187 Ca 0.13 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1mp3 h ALA 187 Cb 0.48 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1mp3 h ALA 187 CO 0.02 0.51 -0.08 0.87 0.00 0.00 0.00 179.25 180.57 1mp3 h LYS 188 N 0.79 0.00 -0.02 0.00 1.57 -1.22 -2.71 116.57 114.98 1mp3 h LYS 188 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1mp3 h LYS 188 Cb 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1mp3 h LYS 188 CO 0.02 0.08 -0.27 0.09 -0.57 0.00 0.00 179.45 178.80 1mp3 n ASN 189 N -4.19 2.25 -4.77 0.86 3.02 -1.05 -4.98 115.26 106.39 1mp3 n ASN 189 Ca -0.03 -1.62 -0.40 0.00 -0.03 0.00 0.00 54.58 52.50 1mp3 n ASN 189 Cb 0.16 0.30 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 1mp3 n ASN 189 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1mp3 s LEU 190 N -2.14 4.26 0.06 3.41 1.43 -0.57 -5.02 118.68 120.12 1mp3 s LEU 190 Ca 0.20 2.93 0.01 0.00 -1.03 0.00 0.00 54.13 56.25 1mp3 s LEU 190 Cb 0.17 -3.77 -0.04 0.00 0.03 0.00 0.00 46.19 42.59 1mp3 s LEU 190 CO 0.42 -0.92 0.13 -0.54 0.23 0.00 0.00 176.35 175.67 1mp3 s LYS 191 N -2.18 3.12 0.27 1.70 3.01 -1.26 -5.05 119.74 119.36 1mp3 s LYS 191 Ca 0.55 -0.56 -0.30 0.00 -1.01 0.00 0.00 55.97 54.65 1mp3 s LYS 191 Cb -0.44 -2.87 -0.13 0.00 -1.01 0.00 0.00 37.83 33.38 1mp3 s LYS 191 CO 0.59 0.60 1.37 -0.35 0.51 0.00 0.00 175.35 178.06 1mp3 n PRO 192 N 0.51 2.05 -0.56 -1.68 -0.04 -1.26 -4.76 135.00 129.27 1mp3 n PRO 192 Ca -0.08 0.73 -0.14 0.00 -0.04 0.00 0.00 63.50 63.96 1mp3 n PRO 192 Cb 0.52 -2.36 0.12 0.00 -0.04 0.00 0.00 33.50 31.74 1mp3 n PRO 192 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1mp3 n SER 193 N 1.76 -1.30 0.18 3.54 3.41 0.74 -4.77 113.62 117.19 1mp3 n SER 193 Ca 0.10 -0.88 0.13 0.00 -0.26 0.00 0.00 58.87 57.96 1mp3 n SER 193 Cb 0.33 -0.48 0.64 0.00 -0.26 0.00 0.00 64.21 64.44 1mp3 n SER 193 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1mp3 h ALA 194 N -2.29 1.00 -0.31 7.33 0.00 -1.93 -0.91 119.26 122.15 1mp3 h ALA 194 Ca -0.20 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.65 1mp3 h ALA 194 Cb 0.60 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1mp3 h ALA 194 CO 0.13 0.00 0.01 2.89 0.00 0.00 0.00 179.25 182.28 1mp3 n ARG 195 N -2.41 2.65 -3.00 0.00 1.85 -1.26 -4.96 116.66 109.52 1mp3 n ARG 195 Ca -0.00 -2.94 -0.18 0.00 -1.00 0.00 0.00 57.85 53.72 1mp3 n ARG 195 Cb 0.12 -1.86 0.04 0.00 -1.05 0.00 0.00 32.46 29.71 1mp3 n ARG 195 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1mp3 n GLY 196 N -0.68 -0.28 3.03 2.89 0.00 -0.34 -5.02 105.19 104.79 1mp3 n GLY 196 Ca 0.26 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 46.16 1mp3 n GLY 196 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1mp3 s GLU 197 N -5.63 0.38 -0.68 1.61 2.02 -1.26 -4.80 118.70 110.34 1mp3 s GLU 197 Ca 0.30 -0.50 -0.23 0.00 0.02 0.00 0.00 54.97 54.56 1mp3 s GLU 197 Cb -0.13 0.15 0.07 0.00 0.10 0.00 0.00 34.13 34.31 1mp3 s GLU 197 CO 0.38 -0.08 1.01 -0.51 0.02 0.00 0.00 175.26 176.08 1mp3 s LEU 198 N -1.39 4.24 0.13 1.80 1.43 -0.44 -0.18 118.68 124.26 1mp3 s LEU 198 Ca -0.15 -0.95 -0.19 0.00 -1.03 0.00 0.00 54.13 51.81 1mp3 s LEU 198 Cb -0.09 -2.44 -0.07 0.00 0.03 0.00 0.00 46.19 43.62 1mp3 s LEU 198 CO 0.00 -1.49 0.62 -1.61 0.23 0.00 0.00 176.35 174.10 1mp3 s GLU 199 N 4.26 4.21 0.37 1.70 2.02 -1.26 -1.60 118.70 128.39 1mp3 s GLU 199 Ca 0.24 0.76 0.11 0.00 0.02 0.00 0.00 54.97 56.10 1mp3 s GLU 199 Cb -0.15 -3.11 0.72 0.00 0.10 0.00 0.00 34.13 31.68 1mp3 s GLU 199 CO 0.10 0.56 1.85 0.97 0.02 0.00 0.00 175.26 178.76 1mp3 h ILE 200 N 3.22 1.23 -0.92 -1.63 6.09 -1.93 -2.39 117.51 121.17 1mp3 h ILE 200 Ca -0.49 -1.08 0.09 0.00 -1.37 0.00 0.00 64.86 62.01 1mp3 h ILE 200 Cb 1.20 1.48 -0.07 0.00 0.47 0.00 0.00 36.82 39.91 1mp3 h ILE 200 CO 0.64 0.32 0.60 0.74 -3.07 0.00 0.00 178.15 177.38 1mp3 h THR 201 N 0.12 1.00 0.00 2.19 2.02 -1.99 0.15 112.91 116.40 1mp3 h THR 201 Ca 0.02 -0.33 -0.05 0.00 0.77 0.00 0.00 66.41 66.82 1mp3 h THR 201 Cb 0.55 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 1mp3 h THR 201 CO 0.04 0.18 -0.24 0.44 0.37 0.00 0.00 175.52 176.31 1mp3 h ASP 202 N 0.97 0.00 -0.19 4.18 3.32 -1.84 -0.65 116.42 122.21 1mp3 h ASP 202 Ca 0.42 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.33 1mp3 h ASP 202 Cb 0.34 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.89 1mp3 h ASP 202 CO -0.18 0.24 -0.44 0.40 -1.72 0.00 0.00 179.24 177.54 1mp3 h ILE 203 N 0.00 1.33 -0.02 0.35 2.04 -0.82 -2.58 117.51 117.80 1mp3 h ILE 203 Ca -0.00 -1.67 -0.03 0.00 1.00 0.00 0.00 64.86 64.15 1mp3 h ILE 203 Cb 0.44 1.89 -0.01 0.00 -0.74 0.00 0.00 36.82 38.40 1mp3 h ILE 203 CO 0.03 0.52 -0.15 0.78 0.00 0.00 0.00 178.15 179.33 1mp3 h ASN 204 N 0.32 0.03 -0.11 1.72 -0.26 -0.45 -1.97 115.58 114.85 1mp3 h ASN 204 Ca -0.00 -0.00 -0.18 0.00 -0.56 0.00 0.00 56.30 55.56 1mp3 h ASN 204 Cb 1.05 -0.01 -0.00 0.00 -1.06 0.00 0.00 38.32 38.30 1mp3 h ASN 204 CO 0.10 0.18 -0.57 0.03 -1.06 0.00 0.00 177.43 176.11 1mp3 h ARG 205 N 0.03 0.70 -0.43 0.81 3.08 -0.99 -1.83 114.38 115.76 1mp3 h ARG 205 Ca 0.00 -0.46 -0.04 0.00 0.07 0.00 0.00 59.98 59.56 1mp3 h ARG 205 Cb 0.29 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.38 1mp3 h ARG 205 CO 0.02 1.08 0.12 0.82 -1.07 0.00 0.00 179.97 180.94 1mp3 h ILE 206 N 0.53 1.22 -0.47 2.04 2.04 -1.01 0.15 117.51 122.02 1mp3 h ILE 206 Ca 0.01 -0.75 -0.03 0.00 1.00 0.00 0.00 64.86 65.08 1mp3 h ILE 206 Cb 1.15 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 1mp3 h ILE 206 CO 0.12 0.27 0.16 1.88 0.00 0.00 0.00 178.15 180.58 1mp3 h TYR 207 N 0.55 0.68 -0.18 1.37 -1.99 -1.31 -2.49 116.97 113.60 1mp3 h TYR 207 Ca 0.14 -0.04 -0.16 0.00 2.00 0.00 0.00 58.73 60.67 1mp3 h TYR 207 Cb 0.28 -0.21 0.00 0.00 2.00 0.00 0.00 36.73 38.81 1mp3 h TYR 207 CO 0.01 0.55 -0.52 1.98 -0.00 0.00 0.00 178.16 180.18 1mp3 h MET 208 N 0.67 0.67 0.00 4.88 4.05 -0.80 0.77 114.93 125.17 1mp3 h MET 208 Ca 0.16 -0.48 -0.01 0.00 -0.28 0.00 0.00 59.70 59.09 1mp3 h MET 208 Cb 0.17 0.08 -0.00 0.00 -0.80 0.00 0.00 31.60 31.05 1mp3 h MET 208 CO -0.01 1.10 -0.04 0.93 0.23 0.00 0.00 176.91 179.12 1mp3 h GLU 209 N 0.36 0.00 -0.21 0.39 5.08 -0.51 0.18 114.58 119.87 1mp3 h GLU 209 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1mp3 h GLU 209 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1mp3 h GLU 209 CO 0.11 0.04 0.00 1.04 -1.00 0.00 0.00 179.01 179.20 1mp3 n GLN 210 N -3.33 2.05 -2.51 2.33 6.02 -0.96 -4.93 117.38 116.05 1mp3 n GLN 210 Ca -0.02 -1.58 -0.18 0.00 -0.01 0.00 0.00 57.00 55.22 1mp3 n GLN 210 Cb 0.18 -1.45 0.00 0.00 1.02 0.00 0.00 30.24 29.99 1mp3 n GLN 210 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1mp3 n GLY 211 N 1.29 -0.33 0.12 1.08 0.00 0.05 -4.89 105.19 102.51 1mp3 n GLY 211 Ca 0.17 -0.12 0.02 0.00 0.00 0.00 0.00 46.02 46.09 1mp3 n GLY 211 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mp3 n ARG 212 N -2.92 2.77 -3.82 1.61 1.74 0.24 -5.00 116.66 111.29 1mp3 n ARG 212 Ca -0.17 -1.74 -0.36 0.00 -0.77 0.00 0.00 57.85 54.81 1mp3 n ARG 212 Cb 0.64 -1.12 -0.10 0.00 -1.02 0.00 0.00 32.46 30.86 1mp3 n ARG 212 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 1mp3 s LEU 213 N -1.27 3.93 -0.28 0.55 2.96 -1.05 -2.22 118.68 121.29 1mp3 s LEU 213 Ca 0.08 0.07 -0.08 0.00 -0.22 0.00 0.00 54.13 53.98 1mp3 s LEU 213 Cb 0.06 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.71 1mp3 s LEU 213 CO 0.03 0.11 0.11 -0.44 -1.32 0.00 0.00 176.35 174.84 1mp3 s SER 214 N 0.78 5.33 -0.72 3.68 0.01 -0.77 -4.93 113.70 117.09 1mp3 s SER 214 Ca 0.06 -0.40 -0.15 0.00 1.31 0.00 0.00 55.95 56.76 1mp3 s SER 214 Cb -0.13 -1.96 0.17 0.00 0.21 0.00 0.00 66.02 64.32 1mp3 s SER 214 CO 0.02 -0.12 0.70 -0.69 0.41 0.00 0.00 173.24 173.56 1mp3 s VAL 215 N 1.60 5.36 -0.09 3.43 1.01 -1.26 -1.81 120.40 128.64 1mp3 s VAL 215 Ca 0.05 -1.97 -0.30 0.00 0.00 0.00 0.00 61.98 59.76 1mp3 s VAL 215 Cb -0.16 -4.45 -0.02 0.00 0.00 0.00 0.00 36.38 31.75 1mp3 s VAL 215 CO 0.05 -1.02 1.12 0.00 0.00 0.00 0.00 175.10 175.25 1mp3 s ALA 216 N 1.01 3.49 0.16 5.51 0.00 0.13 -4.80 121.76 127.25 1mp3 s ALA 216 Ca 0.13 0.49 -0.30 0.00 0.00 0.00 0.00 51.96 52.28 1mp3 s ALA 216 Cb -0.17 -3.50 -0.08 0.00 0.00 0.00 0.00 23.12 19.37 1mp3 s ALA 216 CO -0.04 -0.75 1.26 -1.64 0.00 0.00 0.00 175.76 174.59 1mp3 s MET 217 N 2.30 4.43 -0.36 0.00 -1.94 -1.26 -1.06 119.30 121.40 1mp3 s MET 217 Ca 0.52 1.94 0.01 0.00 -1.71 0.00 0.00 55.69 56.45 1mp3 s MET 217 Cb -0.21 -3.24 0.10 0.00 2.01 0.00 0.00 34.83 33.49 1mp3 s MET 217 CO 0.19 -0.21 0.11 1.41 -0.01 0.00 0.00 175.02 176.51 1mp3 s MET 218 N 0.14 1.77 1.17 2.03 0.00 0.12 -4.85 119.30 119.68 1mp3 s MET 218 Ca 0.56 -1.81 -0.14 0.00 0.00 0.00 0.00 55.69 54.30 1mp3 s MET 218 Cb -0.34 -3.35 0.28 0.00 0.00 0.00 0.00 34.83 31.42 1mp3 s MET 218 CO 0.35 -0.97 1.03 0.20 0.00 0.00 0.00 175.02 175.64 1mp3 s GLY 219 N 1.31 1.53 0.39 2.11 0.00 -1.26 -4.46 107.32 106.94 1mp3 s GLY 219 Ca 0.08 -0.33 0.27 0.00 0.00 0.00 0.00 44.72 44.75 1mp3 s GLY 219 CO -0.06 0.42 1.83 0.07 0.00 0.00 0.00 173.10 175.37 1mp3 h ARG 220 N -2.60 0.00 0.00 2.90 0.11 -1.97 -1.34 114.38 111.48 1mp3 h ARG 220 Ca -0.58 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.48 1mp3 h ARG 220 Cb 1.34 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.41 1mp3 h ARG 220 CO 0.49 0.00 -0.07 0.78 0.10 0.00 0.00 179.97 181.27 1mp3 h GLY 221 N 0.47 0.00 -2.83 0.08 0.00 -1.99 -3.43 103.07 95.37 1mp3 h GLY 221 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 1mp3 h GLY 221 CO 0.00 0.00 -0.20 -0.19 0.00 0.00 0.00 176.54 176.15 1mp3 s TYR 222 N -3.69 3.50 -0.18 5.60 1.51 -0.51 -4.71 117.35 118.87 1mp3 s TYR 222 Ca 0.01 0.37 -0.02 0.00 -1.01 0.00 0.00 57.07 56.42 1mp3 s TYR 222 Cb 0.09 -1.91 -0.01 0.00 -0.11 0.00 0.00 41.96 40.03 1mp3 s TYR 222 CO 0.57 0.15 -0.10 0.00 -1.11 0.00 0.00 175.55 175.07 1mp3 s ALA 223 N -2.25 2.68 -0.25 3.71 0.00 0.16 -4.96 121.76 120.86 1mp3 s ALA 223 Ca 0.40 -1.07 -0.00 0.00 0.00 0.00 0.00 51.96 51.29 1mp3 s ALA 223 Cb -0.10 -1.45 0.07 0.00 0.00 0.00 0.00 23.12 21.64 1mp3 s ALA 223 CO 0.35 -0.16 0.01 -0.46 0.00 0.00 0.00 175.76 175.50 1mp3 s TRP 224 N 1.02 1.92 0.12 0.00 -0.00 -1.26 -1.09 118.94 119.65 1mp3 s TRP 224 Ca -0.01 -1.56 0.07 0.00 -0.00 0.00 0.00 56.10 54.60 1mp3 s TRP 224 Cb -0.15 -1.53 -0.04 0.00 -0.00 0.00 0.00 33.47 31.76 1mp3 s TRP 224 CO -0.01 -0.76 -0.06 -0.51 -0.00 0.00 0.00 176.95 175.60 1mp3 s LEU 225 N 1.55 3.16 0.18 5.86 1.43 -0.49 -4.99 118.68 125.39 1mp3 s LEU 225 Ca 0.00 -0.36 0.11 0.00 -1.03 0.00 0.00 54.13 52.85 1mp3 s LEU 225 Cb -0.18 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 1mp3 s LEU 225 CO -0.11 0.16 -0.23 -1.81 0.23 0.00 0.00 176.35 174.58 1mp3 s ASP 226 N -2.40 3.48 -0.47 2.29 1.01 -1.26 -2.04 116.67 117.27 1mp3 s ASP 226 Ca 0.23 -0.83 0.08 0.00 0.71 0.00 0.00 52.55 52.75 1mp3 s ASP 226 Cb -0.11 -0.28 0.31 0.00 1.01 0.00 0.00 42.92 43.85 1mp3 s ASP 226 CO 0.16 0.13 0.75 0.35 0.21 0.00 0.00 175.17 176.77 1mp3 n THR 227 N 0.35 0.99 -0.01 -1.27 -2.24 -1.22 -4.38 114.28 106.50 1mp3 n THR 227 Ca -0.13 -4.84 0.08 0.00 -2.27 0.00 0.00 64.05 56.88 1mp3 n THR 227 Cb 0.55 -1.18 -0.13 0.00 -2.10 0.00 0.00 70.33 67.47 1mp3 n THR 227 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1mp3 n GLY 228 N 0.44 -0.79 3.45 3.38 0.00 -1.26 -4.83 105.19 105.57 1mp3 n GLY 228 Ca 0.27 -0.40 -0.25 0.00 0.00 0.00 0.00 46.02 45.63 1mp3 n GLY 228 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1mp3 s THR 229 N -3.15 2.42 0.17 2.61 -4.23 -1.26 -4.20 115.64 108.00 1mp3 s THR 229 Ca -0.06 -2.23 -0.19 0.00 -1.18 0.00 0.00 61.69 58.02 1mp3 s THR 229 Cb 0.11 -2.22 0.10 0.00 1.34 0.00 0.00 72.50 71.83 1mp3 s THR 229 CO 0.72 -0.27 1.63 0.45 -0.54 0.00 0.00 174.62 176.61 1mp3 h HIS 230 N 2.71 -0.49 0.12 3.99 3.86 -1.95 -0.34 115.15 123.05 1mp3 h HIS 230 Ca -0.43 0.05 0.01 0.00 -1.16 0.00 0.00 60.37 58.84 1mp3 h HIS 230 Cb 1.24 0.28 -0.03 0.00 1.06 0.00 0.00 27.41 29.96 1mp3 h HIS 230 CO 0.75 -0.28 -0.20 1.96 0.86 0.00 0.00 177.93 181.03 1mp3 h GLN 231 N -0.12 -0.38 -0.61 2.45 7.50 -1.99 -2.79 115.11 119.17 1mp3 h GLN 231 Ca 0.20 0.03 -0.06 0.00 0.50 0.00 0.00 58.65 59.31 1mp3 h GLN 231 Cb 0.42 0.09 -0.03 0.00 0.05 0.00 0.00 27.48 28.01 1mp3 h GLN 231 CO -0.48 -0.25 0.13 0.66 -1.50 0.00 0.00 178.83 177.39 1mp3 h SER 232 N -0.39 0.92 -0.96 1.46 4.64 -1.78 -1.53 113.55 115.91 1mp3 h SER 232 Ca 0.02 -0.19 0.08 0.00 -0.47 0.00 0.00 61.79 61.24 1mp3 h SER 232 Cb 0.40 -0.24 -0.07 0.00 -0.31 0.00 0.00 62.40 62.18 1mp3 h SER 232 CO -0.10 0.90 0.61 0.25 -0.87 0.00 0.00 176.83 177.61 1mp3 h LEU 233 N 0.92 0.93 0.00 5.97 5.85 -0.93 -0.75 115.31 127.30 1mp3 h LEU 233 Ca 0.19 0.03 -0.15 0.00 0.84 0.00 0.00 57.88 58.79 1mp3 h LEU 233 Cb 0.36 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1mp3 h LEU 233 CO 0.00 0.56 -0.80 -0.29 -0.34 0.00 0.00 178.44 177.58 1mp3 h ILE 234 N 1.05 1.13 -0.33 4.05 2.10 -1.21 -3.03 117.51 121.26 1mp3 h ILE 234 Ca 0.44 -2.63 -0.08 0.00 1.08 0.00 0.00 64.86 63.67 1mp3 h ILE 234 Cb 0.28 2.54 -0.01 0.00 -1.09 0.00 0.00 36.82 38.53 1mp3 h ILE 234 CO -0.21 0.64 -0.09 -0.33 -1.08 0.00 0.00 178.15 177.08 1mp3 h GLU 235 N 0.00 0.65 -0.44 2.19 5.08 -0.46 -2.45 114.58 119.15 1mp3 h GLU 235 Ca -0.03 -0.25 -0.05 0.00 -1.00 0.00 0.00 59.36 58.02 1mp3 h GLU 235 Cb 1.56 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.75 1mp3 h GLU 235 CO 0.09 0.83 0.06 0.00 -1.00 0.00 0.00 179.01 178.98 1mp3 h ALA 236 N 0.80 1.28 -0.29 3.43 0.00 -1.22 -1.69 119.26 121.57 1mp3 h ALA 236 Ca 0.08 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1mp3 h ALA 236 Cb 0.60 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1mp3 h ALA 236 CO 0.04 0.49 0.00 0.77 0.00 0.00 0.00 179.25 180.55 1mp3 h SER 237 N 0.65 0.50 -0.54 0.00 0.02 -1.40 -1.92 113.55 110.86 1mp3 h SER 237 Ca 0.14 -0.31 -0.04 0.00 -0.84 0.00 0.00 61.79 60.74 1mp3 h SER 237 Cb 0.32 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 1mp3 h SER 237 CO 0.01 0.69 0.18 0.78 -1.14 0.00 0.00 176.83 177.35 1mp3 h ASN 238 N 0.31 0.82 0.71 3.07 2.35 -1.26 -0.74 115.58 120.82 1mp3 h ASN 238 Ca 0.08 -0.13 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 1mp3 h ASN 238 Cb 0.43 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 1mp3 h ASN 238 CO 0.01 0.77 -0.40 0.15 -1.65 0.00 0.00 177.43 176.31 1mp3 h PHE 239 N 0.86 -1.06 -0.84 1.19 3.57 -1.11 -0.76 116.94 118.79 1mp3 h PHE 239 Ca 0.19 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.68 1mp3 h PHE 239 Cb 0.25 0.37 -0.04 0.00 2.79 0.00 0.00 35.95 39.31 1mp3 h PHE 239 CO 0.02 -0.62 0.53 0.82 -2.23 0.00 0.00 178.31 176.83 1mp3 h ILE 240 N -1.03 1.22 -0.11 1.41 1.08 -1.25 -2.47 117.51 116.37 1mp3 h ILE 240 Ca -0.09 -0.45 -0.00 0.00 -0.39 0.00 0.00 64.86 63.93 1mp3 h ILE 240 Cb 0.82 0.01 -0.01 0.00 -3.07 0.00 0.00 36.82 34.58 1mp3 h ILE 240 CO 0.11 0.22 0.07 0.00 -0.69 0.00 0.00 178.15 177.87 1mp3 h ALA 241 N 1.44 0.15 -0.48 1.87 0.00 -0.91 -0.60 119.26 120.73 1mp3 h ALA 241 Ca 0.30 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.25 1mp3 h ALA 241 Cb -0.09 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 1mp3 h ALA 241 CO -0.06 -0.35 0.19 1.15 0.00 0.00 0.00 179.25 180.18 1mp3 h THR 242 N 0.13 0.88 0.60 0.00 2.02 -0.81 -0.02 112.91 115.70 1mp3 h THR 242 Ca 0.04 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 1mp3 h THR 242 Cb 0.02 0.46 0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1mp3 h THR 242 CO -0.01 0.07 -0.29 0.40 0.37 0.00 0.00 175.52 176.06 1mp3 h ILE 243 N 0.38 0.40 -0.87 3.11 2.04 -1.16 -2.57 117.51 118.84 1mp3 h ILE 243 Ca 0.22 -0.05 -0.01 0.00 1.00 0.00 0.00 64.86 66.02 1mp3 h ILE 243 Cb 0.20 0.42 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 1mp3 h ILE 243 CO -0.21 0.01 0.50 -0.33 0.00 0.00 0.00 178.15 178.12 1mp3 h GLU 244 N -0.84 1.20 -0.85 2.37 5.08 -0.95 -0.66 114.58 119.93 1mp3 h GLU 244 Ca -0.08 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.13 1mp3 h GLU 244 Cb 0.63 -0.24 -0.04 0.00 0.50 0.00 0.00 28.75 29.60 1mp3 h GLU 244 CO 0.14 0.86 0.44 0.93 -1.00 0.00 0.00 179.01 180.38 1mp3 h GLU 245 N 1.22 1.19 -0.00 2.33 4.39 -0.99 0.35 114.58 123.06 1mp3 h GLU 245 Ca 0.31 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.84 1mp3 h GLU 245 Cb -0.01 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.42 1mp3 h GLU 245 CO -0.05 0.89 -0.09 -0.09 -1.16 0.00 0.00 179.01 178.51 1mp3 h ARG 246 N 1.19 0.07 0.05 2.33 9.65 -1.13 -3.37 114.38 123.18 1mp3 h ARG 246 Ca 0.30 -0.07 -0.24 0.00 -1.10 0.00 0.00 59.98 58.87 1mp3 h ARG 246 Cb 0.06 0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 28.66 1mp3 h ARG 246 CO -0.04 0.81 -1.05 1.96 2.80 0.00 0.00 179.97 184.44 1mp3 h GLN 247 N -0.65 0.29 -0.03 0.20 4.20 -1.08 -3.47 115.11 114.57 1mp3 h GLN 247 Ca -0.01 -0.39 -0.01 0.00 0.06 0.00 0.00 58.65 58.30 1mp3 h GLN 247 Cb 0.83 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.74 1mp3 h GLN 247 CO 0.02 1.12 -0.01 0.41 -0.67 0.00 0.00 178.83 179.70 1mp3 n GLY 248 N 1.19 0.40 3.09 3.46 0.00 0.12 -5.03 105.19 108.42 1mp3 n GLY 248 Ca -0.07 -1.02 -0.23 0.00 0.00 0.00 0.00 46.02 44.71 1mp3 n GLY 248 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1mp3 s LEU 249 N -0.11 1.96 0.30 0.99 1.43 -1.23 -5.08 118.68 116.94 1mp3 s LEU 249 Ca 0.00 -0.26 -0.19 0.00 -1.03 0.00 0.00 54.13 52.65 1mp3 s LEU 249 Cb 0.00 -0.74 -0.09 0.00 0.03 0.00 0.00 46.19 45.39 1mp3 s LEU 249 CO 0.00 0.15 0.78 -0.54 0.23 0.00 0.00 176.35 176.97 1mp3 s LYS 250 N -0.17 4.19 -0.15 1.70 1.02 -1.26 -4.21 119.74 120.86 1mp3 s LYS 250 Ca 0.02 0.87 -0.15 0.00 0.02 0.00 0.00 55.97 56.74 1mp3 s LYS 250 Cb -0.07 -2.60 -0.05 0.00 -0.52 0.00 0.00 37.83 34.59 1mp3 s LYS 250 CO 0.00 0.23 0.33 0.08 -0.92 0.00 0.00 175.35 175.07 1mp3 s VAL 251 N -1.80 5.28 -1.22 3.17 1.01 -1.26 -4.45 120.40 121.13 1mp3 s VAL 251 Ca 0.51 0.63 -0.05 0.00 0.00 0.00 0.00 61.98 63.06 1mp3 s VAL 251 Cb -0.13 -3.67 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 1mp3 s VAL 251 CO 0.19 0.38 0.79 -1.20 0.00 0.00 0.00 175.10 175.25 1mp3 n SER 252 N 3.59 -2.97 -4.43 3.32 7.64 -1.26 -4.97 113.62 114.53 1mp3 n SER 252 Ca -0.11 -0.81 -0.44 0.00 1.01 0.00 0.00 58.87 58.52 1mp3 n SER 252 Cb 0.52 -4.27 -0.05 0.00 -1.01 0.00 0.00 64.21 59.40 1mp3 n SER 252 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1mp3 h PRO 254 N 9.12 0.11 -0.91 0.00 0.11 -1.93 0.13 132.00 138.63 1mp3 h PRO 254 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1mp3 h PRO 254 Cb 1.09 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 32.13 1mp3 h PRO 254 CO 1.03 0.08 0.58 0.93 -0.21 0.00 0.00 178.00 180.41 1mp3 h GLU 255 N 0.12 1.22 -0.21 1.05 3.07 -1.97 0.16 114.58 118.02 1mp3 h GLU 255 Ca 0.48 -0.09 -0.15 0.00 -0.50 0.00 0.00 59.36 59.10 1mp3 h GLU 255 Cb 0.91 -0.27 0.00 0.00 -0.84 0.00 0.00 28.75 28.56 1mp3 h GLU 255 CO -0.71 0.83 -0.46 1.49 -1.40 0.00 0.00 179.01 178.76 1mp3 h GLU 256 N 1.25 0.68 -0.52 2.33 4.81 -1.22 -2.08 114.58 119.83 1mp3 h GLU 256 Ca 0.33 -0.45 -0.11 0.00 -0.13 0.00 0.00 59.36 59.00 1mp3 h GLU 256 Cb -0.11 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1mp3 h GLU 256 CO -0.07 1.07 -0.12 0.82 -0.73 0.00 0.00 179.01 179.98 1mp3 h ILE 257 N 0.38 1.27 -0.38 2.32 2.04 -0.99 0.39 117.51 122.55 1mp3 h ILE 257 Ca 0.00 -1.27 0.03 0.00 1.00 0.00 0.00 64.86 64.62 1mp3 h ILE 257 Cb 1.07 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 1mp3 h ILE 257 CO 0.10 0.44 0.18 0.00 0.00 0.00 0.00 178.15 178.87 1mp3 h ALA 258 N 0.98 0.46 0.19 1.87 0.00 -0.95 0.34 119.26 122.16 1mp3 h ALA 258 Ca 0.13 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1mp3 h ALA 258 Cb 0.68 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1mp3 h ALA 258 CO 0.05 -0.19 -0.09 0.35 0.00 0.00 0.00 179.25 179.37 1mp3 h PHE 259 N 0.37 -0.23 -0.19 0.00 3.57 -1.04 0.17 116.94 119.59 1mp3 h PHE 259 Ca 0.16 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.68 1mp3 h PHE 259 Cb 0.08 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1mp3 h PHE 259 CO -0.11 0.04 0.13 0.00 -2.23 0.00 0.00 178.31 176.14 1mp3 h ARG 260 N -0.49 0.14 -0.41 1.11 3.08 -0.74 -0.74 114.38 116.32 1mp3 h ARG 260 Ca -0.03 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1mp3 h ARG 260 Cb 0.37 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.39 1mp3 h ARG 260 CO 0.04 0.10 0.00 1.63 -1.07 0.00 0.00 179.97 180.67 1mp3 n LYS 261 N -4.50 2.16 -2.03 0.04 5.02 0.09 -4.95 118.16 113.99 1mp3 n LYS 261 Ca 0.01 -1.78 -0.14 0.00 -2.02 0.00 0.00 58.31 54.38 1mp3 n LYS 261 Cb 0.16 -1.42 -0.02 0.00 -0.02 0.00 0.00 35.03 33.73 1mp3 n LYS 261 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1mp3 n ASN 262 N 0.96 -4.32 0.13 4.39 3.02 -0.29 -4.87 115.26 114.28 1mp3 n ASN 262 Ca 0.18 0.08 -0.00 0.00 -0.03 0.00 0.00 54.58 54.80 1mp3 n ASN 262 Cb 0.45 -3.37 0.11 0.00 -0.61 0.00 0.00 39.78 36.35 1mp3 n ASN 262 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 1mp3 h PHE 263 N 0.00 0.00 -4.01 3.10 0.05 -0.92 -3.45 116.94 111.71 1mp3 h PHE 263 Ca -0.31 0.00 -0.10 0.00 3.82 0.00 0.00 57.97 61.37 1mp3 h PHE 263 Cb 1.15 0.00 -0.15 0.00 2.00 0.00 0.00 35.95 38.95 1mp3 h PHE 263 CO 0.37 0.64 -0.52 0.96 -0.18 0.00 0.00 178.31 179.58 1mp3 s ILE 264 N -3.24 0.18 0.28 -0.55 -4.36 -1.19 -4.32 121.20 107.99 1mp3 s ILE 264 Ca 0.01 -1.47 0.04 0.00 -0.26 0.00 0.00 60.65 58.96 1mp3 s ILE 264 Cb 0.11 -1.40 0.04 0.00 1.25 0.00 0.00 42.46 42.45 1mp3 s ILE 264 CO 0.76 -0.81 0.31 0.59 0.24 0.00 0.00 174.94 176.02 1mp3 n ASN 265 N 0.06 1.41 -0.28 4.36 4.13 -1.26 -4.31 115.26 119.37 1mp3 n ASN 265 Ca -0.15 -1.84 -0.01 0.00 1.68 0.00 0.00 54.58 54.27 1mp3 n ASN 265 Cb 0.62 -0.12 0.18 0.00 -1.54 0.00 0.00 39.78 38.91 1mp3 n ASN 265 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1mp3 h ALA 266 N 0.49 1.35 -0.81 5.41 0.00 -2.00 -2.74 119.26 120.97 1mp3 h ALA 266 Ca -0.15 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.70 1mp3 h ALA 266 Cb 0.62 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1mp3 h ALA 266 CO 0.23 0.58 0.53 1.96 0.00 0.00 0.00 179.25 182.55 1mp3 h GLN 267 N 1.15 1.05 -0.55 0.00 7.50 -1.99 0.25 115.11 122.52 1mp3 h GLN 267 Ca 0.31 -0.06 -0.05 0.00 0.50 0.00 0.00 58.65 59.35 1mp3 h GLN 267 Cb -0.09 -0.24 -0.02 0.00 0.05 0.00 0.00 27.48 27.18 1mp3 h GLN 267 CO -0.06 0.69 0.16 1.96 -1.50 0.00 0.00 178.83 180.08 1mp3 h GLN 268 N 1.08 0.86 0.01 1.46 4.20 -1.90 -0.84 115.11 119.98 1mp3 h GLN 268 Ca 0.30 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.82 1mp3 h GLN 268 Cb -0.09 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 27.57 1mp3 h GLN 268 CO -0.08 0.79 -0.01 0.28 -0.67 0.00 0.00 178.83 179.15 1mp3 h VAL 269 N 0.77 0.99 -0.72 -0.54 2.07 -1.15 -0.81 116.25 116.86 1mp3 h VAL 269 Ca 0.18 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.75 1mp3 h VAL 269 Cb 0.30 1.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 1mp3 h VAL 269 CO -0.00 0.00 0.41 0.40 0.02 0.00 0.00 177.57 178.40 1mp3 h ILE 270 N -0.02 0.97 -0.23 4.57 2.04 -0.74 0.28 117.51 124.38 1mp3 h ILE 270 Ca -0.00 -0.26 -0.05 0.00 1.00 0.00 0.00 64.86 65.55 1mp3 h ILE 270 Cb 0.02 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.24 1mp3 h ILE 270 CO 0.00 0.14 -0.08 -0.33 0.00 0.00 0.00 178.15 177.88 1mp3 h GLU 271 N 0.75 0.37 0.18 2.37 5.08 -0.84 -0.62 114.58 121.86 1mp3 h GLU 271 Ca 0.33 -0.08 -0.31 0.00 -1.00 0.00 0.00 59.36 58.29 1mp3 h GLU 271 Cb 0.21 -0.05 0.03 0.00 0.50 0.00 0.00 28.75 29.44 1mp3 h GLU 271 CO -0.19 0.46 -1.34 -0.07 -1.00 0.00 0.00 179.01 176.87 1mp3 h LEU 272 N 0.35 0.78 -0.33 1.33 3.38 -0.18 -3.36 115.31 117.29 1mp3 h LEU 272 Ca 0.07 -0.78 -0.06 0.00 0.09 0.00 0.00 57.88 57.20 1mp3 h LEU 272 Cb 0.36 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1mp3 h LEU 272 CO 0.02 1.60 -0.03 0.00 0.09 0.00 0.00 178.44 180.11 1mp3 h ALA 273 N 0.30 0.45 -0.60 1.53 0.00 -0.22 -3.35 119.26 117.37 1mp3 h ALA 273 Ca -0.21 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.49 1mp3 h ALA 273 Cb 2.02 -0.12 -0.07 0.00 0.00 0.00 0.00 17.79 19.62 1mp3 h ALA 273 CO 0.25 0.25 -0.35 0.41 0.00 0.00 0.00 179.25 179.80 1mp3 n GLY 274 N -0.27 -2.47 0.00 0.00 0.00 -0.26 0.26 105.19 102.45 1mp3 n GLY 274 Ca -0.02 0.89 0.04 0.00 0.00 0.00 0.00 46.02 46.93 1mp3 n GLY 274 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1mp3 n PRO 275 N -4.39 0.14 0.00 1.61 -0.04 -1.26 -1.90 135.00 129.16 1mp3 n PRO 275 Ca 0.01 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 1mp3 n PRO 275 Cb 0.16 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 1mp3 n PRO 275 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1mp3 n LEU 276 N -1.26 0.86 0.28 1.53 4.77 0.10 -4.69 117.00 118.60 1mp3 n LEU 276 Ca 0.04 -0.92 0.18 0.00 -0.03 0.00 0.00 56.01 55.28 1mp3 n LEU 276 Cb 0.07 0.00 0.94 0.00 -2.33 0.00 0.00 43.42 42.10 1mp3 n LEU 276 CO 0.07 0.21 1.05 0.77 -1.33 0.00 0.00 177.39 178.16 1mp3 h SER 277 N 0.06 0.00 0.49 -1.43 4.64 0.52 -0.80 113.55 117.03 1mp3 h SER 277 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1mp3 h SER 277 Cb 0.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1mp3 h SER 277 CO 0.00 0.00 -0.25 0.07 -0.87 0.00 0.00 176.83 175.78 1mp3 h LYS 278 N 0.00 0.00 -6.14 4.77 2.10 -1.84 -3.39 116.57 112.08 1mp3 h LYS 278 Ca 0.00 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 58.12 1mp3 h LYS 278 Cb 0.12 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.42 1mp3 h LYS 278 CO 0.00 0.25 -0.32 0.54 -2.00 0.00 0.00 179.45 177.92 1mp3 s ASN 279 N -6.47 4.89 0.33 7.07 4.22 -0.32 -5.04 114.94 119.63 1mp3 s ASN 279 Ca -0.02 -0.94 0.04 0.00 -2.14 0.00 0.00 52.86 49.80 1mp3 s ASN 279 Cb 0.13 -0.12 0.58 0.00 1.28 0.00 0.00 41.25 43.12 1mp3 s ASN 279 CO 0.65 -0.89 1.86 0.44 -2.04 0.00 0.00 177.10 177.11 1mp3 h ASP 280 N 0.83 0.49 -0.52 3.54 3.45 -1.86 -2.72 116.42 119.64 1mp3 h ASP 280 Ca -0.38 -0.10 -0.03 0.00 0.43 0.00 0.00 57.03 56.95 1mp3 h ASP 280 Cb 1.28 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 39.90 1mp3 h ASP 280 CO 0.55 0.58 0.22 0.22 -1.57 0.00 0.00 179.24 179.24 1mp3 h TYR 281 N 0.49 0.78 -0.49 4.55 3.20 -1.95 0.17 116.97 123.72 1mp3 h TYR 281 Ca 0.10 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 1mp3 h TYR 281 Cb 0.37 -0.23 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 1mp3 h TYR 281 CO 0.01 0.64 0.20 0.78 -1.64 0.00 0.00 178.16 178.15 1mp3 h GLY 282 N 0.69 0.79 1.93 1.82 0.00 -1.38 -1.63 103.07 105.30 1mp3 h GLY 282 Ca 0.17 -0.42 -0.05 0.00 0.00 0.00 0.00 47.33 47.03 1mp3 h GLY 282 CO -0.02 0.40 -0.19 0.50 0.00 0.00 0.00 176.54 177.23 1mp3 h LYS 283 N 0.65 0.08 -0.22 4.80 1.57 -1.18 -1.47 116.57 120.81 1mp3 h LYS 283 Ca 0.16 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 1mp3 h LYS 283 Cb 0.19 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1mp3 h LYS 283 CO -0.01 0.28 -0.01 -0.92 -0.57 0.00 0.00 179.45 178.21 1mp3 h TYR 284 N 0.08 0.42 -0.57 -1.35 3.20 0.01 -1.54 116.97 117.22 1mp3 h TYR 284 Ca 0.01 -0.08 -0.05 0.00 3.14 0.00 0.00 58.73 61.76 1mp3 h TYR 284 Cb 0.39 -0.11 -0.03 0.00 1.54 0.00 0.00 36.73 38.52 1mp3 h TYR 284 CO 0.00 0.58 0.15 -0.07 -1.64 0.00 0.00 178.16 177.18 1mp3 h LEU 285 N 0.15 0.81 -0.46 2.82 3.38 -0.79 -1.94 115.31 119.28 1mp3 h LEU 285 Ca 0.06 -0.14 -0.15 0.00 0.09 0.00 0.00 57.88 57.74 1mp3 h LEU 285 Cb 0.42 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1mp3 h LEU 285 CO 0.01 0.78 -0.36 -0.07 0.09 0.00 0.00 178.44 178.90 1mp3 h LEU 286 N 0.84 0.94 -1.07 1.67 3.38 -1.18 -2.79 115.31 117.10 1mp3 h LEU 286 Ca 0.19 -0.41 -0.06 0.00 0.09 0.00 0.00 57.88 57.68 1mp3 h LEU 286 Cb 0.28 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1mp3 h LEU 286 CO -0.00 1.19 0.03 0.50 0.09 0.00 0.00 178.44 180.25 1mp3 h LYS 287 N 0.73 0.69 -0.28 1.13 3.64 -1.08 -2.66 116.57 118.75 1mp3 h LYS 287 Ca 0.07 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1mp3 h LYS 287 Cb 0.93 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.64 1mp3 h LYS 287 CO 0.09 0.69 0.16 1.98 -2.27 0.00 0.00 179.45 180.10 1mp3 h MET 288 N 0.66 0.37 -0.02 1.90 4.05 -1.08 -3.51 114.93 117.30 1mp3 h MET 288 Ca 0.14 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.53 1mp3 h MET 288 Cb 0.37 -0.08 0.00 0.00 -0.80 0.00 0.00 31.60 31.08 1mp3 h MET 288 CO 0.01 0.27 0.00 1.33 0.23 0.00 0.00 176.91 178.75