#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x9l s GLY 2 N 0.00 -0.13 -0.62 3.03 0.00 -1.26 -5.10 107.32 103.23 1x9l s GLY 2 Ca 0.00 2.37 0.06 0.00 0.00 0.00 0.00 44.72 47.15 1x9l s GLY 2 CO 0.00 1.16 0.80 -2.39 0.00 0.00 0.00 173.10 172.67 1x9l n HIS 3 N 0.82 3.77 -1.83 1.90 -0.00 -1.26 -5.01 115.22 113.62 1x9l n HIS 3 Ca -0.08 -4.12 -0.37 0.00 -0.00 0.00 0.00 57.72 53.15 1x9l n HIS 3 Cb 0.58 -0.54 -0.04 0.00 -0.00 0.00 0.00 29.99 29.99 1x9l n HIS 3 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.34 176.59 1x9l n THR 4 N 0.56 2.44 -3.14 0.61 -2.24 -1.26 -4.90 114.28 106.34 1x9l n THR 4 Ca 0.30 -2.37 -0.43 0.00 -2.27 0.00 0.00 64.05 59.28 1x9l n THR 4 Cb 0.40 -2.30 -0.06 0.00 -2.10 0.00 0.00 70.33 66.27 1x9l n THR 4 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 1x9l s MET 5 N 5.22 3.16 0.95 -0.78 -2.45 -1.26 -5.08 119.30 119.05 1x9l s MET 5 Ca 0.60 -0.77 -0.15 0.00 -1.25 0.00 0.00 55.69 54.12 1x9l s MET 5 Cb 0.07 -4.07 0.17 0.00 1.25 0.00 0.00 34.83 32.25 1x9l s MET 5 CO 0.09 -1.19 1.24 -1.25 1.05 0.00 0.00 175.02 174.97 1x9l s PRO 6 N 2.72 0.81 0.22 4.11 0.04 -1.26 -5.12 135.00 136.53 1x9l s PRO 6 Ca 0.17 -0.16 -0.22 0.00 0.04 0.00 0.00 61.00 60.83 1x9l s PRO 6 Cb -0.18 -1.84 0.04 0.00 0.04 0.00 0.00 34.50 32.56 1x9l s PRO 6 CO 0.13 -2.34 0.68 0.00 0.04 0.00 0.00 177.00 175.52 1x9l s ALA 7 N -3.64 -1.41 0.22 8.56 0.00 -1.26 -5.19 121.76 119.04 1x9l s ALA 7 Ca 0.69 0.07 -0.22 0.00 0.00 0.00 0.00 51.96 52.50 1x9l s ALA 7 Cb -0.08 0.85 0.04 0.00 0.00 0.00 0.00 23.12 23.94 1x9l s ALA 7 CO 0.52 -0.92 0.69 -1.58 0.00 0.00 0.00 175.76 174.47 1x9l s HIS 8 N -3.81 -0.33 -0.42 0.00 5.04 -1.26 -5.13 115.29 109.38 1x9l s HIS 8 Ca 0.07 -0.02 0.03 0.00 -1.54 0.00 0.00 55.06 53.59 1x9l s HIS 8 Cb -0.04 0.65 0.26 0.00 0.04 0.00 0.00 32.58 33.49 1x9l s HIS 8 CO -0.02 -1.06 1.06 -2.37 -2.34 0.00 0.00 174.74 170.01 1x9l n THR 9 N -0.42 0.00 -2.05 0.89 5.66 -1.26 -5.14 114.28 111.96 1x9l n THR 9 Ca -0.09 -1.14 -0.42 0.00 -3.05 0.00 0.00 64.05 59.35 1x9l n THR 9 Cb 0.61 1.32 -0.03 0.00 -1.55 0.00 0.00 70.33 70.69 1x9l n THR 9 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1x9l s PRO 10 N 0.42 4.21 0.78 1.09 0.04 -1.26 -5.00 135.00 135.28 1x9l s PRO 10 Ca 0.29 2.16 -0.12 0.00 0.04 0.00 0.00 61.00 63.37 1x9l s PRO 10 Cb 0.23 -3.79 0.06 0.00 0.04 0.00 0.00 34.50 31.04 1x9l s PRO 10 CO -0.17 -0.75 1.15 -1.25 0.04 0.00 0.00 177.00 176.02 1x9l s PRO 11 N 3.31 2.21 -0.16 0.56 0.04 -1.26 -5.11 135.00 134.59 1x9l s PRO 11 Ca 0.71 0.22 -0.19 0.00 0.04 0.00 0.00 61.00 61.79 1x9l s PRO 11 Cb -0.34 -1.97 0.05 0.00 0.04 0.00 0.00 34.50 32.28 1x9l s PRO 11 CO 0.29 -1.44 0.50 0.00 0.04 0.00 0.00 177.00 176.39 1x9l s ALA 12 N -3.50 -1.25 0.07 8.56 0.00 -1.26 -5.18 121.76 119.19 1x9l s ALA 12 Ca 0.61 1.30 -0.27 0.00 0.00 0.00 0.00 51.96 53.60 1x9l s ALA 12 Cb -0.11 -0.65 0.08 0.00 0.00 0.00 0.00 23.12 22.44 1x9l s ALA 12 CO 0.50 -0.26 0.93 -1.14 0.00 0.00 0.00 175.76 175.79 1x9l s GLN 13 N -0.05 0.99 0.29 0.00 0.74 -1.26 -5.20 119.66 115.17 1x9l s GLN 13 Ca -0.03 -0.47 -0.10 0.00 0.05 0.00 0.00 55.36 54.81 1x9l s GLN 13 Cb -0.03 0.39 0.04 0.00 1.10 0.00 0.00 33.01 34.50 1x9l s GLN 13 CO 0.02 -0.45 0.56 -2.37 -0.55 0.00 0.00 175.29 172.50 1x9l n THR 14 N -0.36 0.00 -2.72 -0.34 5.66 -1.26 -5.13 114.28 110.13 1x9l n THR 14 Ca -0.08 -0.78 -0.06 0.00 -3.05 0.00 0.00 64.05 60.09 1x9l n THR 14 Cb 0.61 0.73 0.05 0.00 -1.55 0.00 0.00 70.33 70.17 1x9l n THR 14 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x9l n ALA 15 N -1.22 -2.32 -2.10 1.79 0.00 -1.26 -5.09 120.51 110.31 1x9l n ALA 15 Ca -0.12 -0.88 -0.36 0.00 0.00 0.00 0.00 53.44 52.08 1x9l n ALA 15 Cb 0.43 -2.06 -0.04 0.00 0.00 0.00 0.00 19.45 17.79 1x9l n ALA 15 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1x9l n PRO 16 N 2.00 2.22 -1.47 0.00 -0.04 -1.26 -4.96 135.00 131.50 1x9l n PRO 16 Ca 0.09 -2.67 -0.36 0.00 -0.04 0.00 0.00 63.50 60.52 1x9l n PRO 16 Cb 0.64 -3.52 0.09 0.00 -0.04 0.00 0.00 33.50 30.66 1x9l n PRO 16 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x9l n ALA 17 N 10.92 0.36 -3.47 0.55 0.00 -1.26 -5.05 120.51 122.56 1x9l n ALA 17 Ca 0.47 -0.13 -0.09 0.00 0.00 0.00 0.00 53.44 53.70 1x9l n ALA 17 Cb 0.45 -2.22 -0.03 0.00 0.00 0.00 0.00 19.45 17.65 1x9l n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x9l s ALA 18 N -1.69 -0.55 0.28 0.00 0.00 -1.26 -5.19 121.76 113.35 1x9l s ALA 18 Ca 0.77 -0.72 -0.01 0.00 0.00 0.00 0.00 51.96 52.00 1x9l s ALA 18 Cb -0.35 0.95 -0.02 0.00 0.00 0.00 0.00 23.12 23.70 1x9l s ALA 18 CO 0.46 -0.93 0.31 -0.65 0.00 0.00 0.00 175.76 174.96 1x9l s GLN 19 N -3.68 1.60 -0.21 0.00 -0.21 -1.26 -5.16 119.66 110.74 1x9l s GLN 19 Ca 0.18 -1.72 -0.04 0.00 0.02 0.00 0.00 55.36 53.80 1x9l s GLN 19 Cb -0.03 0.36 0.07 0.00 1.00 0.00 0.00 33.01 34.41 1x9l s GLN 19 CO 0.10 -0.61 0.08 0.21 -2.12 0.00 0.00 175.29 172.94 1x9l s LYS 20 N -3.63 0.33 0.18 2.91 2.20 -1.26 -5.03 119.74 115.44 1x9l s LYS 20 Ca 0.35 -0.34 -0.13 0.00 -0.36 0.00 0.00 55.97 55.49 1x9l s LYS 20 Cb 0.03 -1.84 0.08 0.00 -1.51 0.00 0.00 37.83 34.59 1x9l s LYS 20 CO 0.18 -0.74 1.80 0.00 -0.36 0.00 0.00 175.35 176.24 1x9l h ALA 21 N 8.33 0.75 0.00 3.13 0.00 -2.02 -3.46 119.26 125.99 1x9l h ALA 21 Ca -0.16 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1x9l h ALA 21 Cb 1.11 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1x9l h ALA 21 CO 0.34 0.25 0.00 0.41 0.00 0.00 0.00 179.25 180.25 1x9l n GLY 22 N -1.09 1.40 2.98 0.00 0.00 -1.26 -4.77 105.19 102.45 1x9l n GLY 22 Ca 0.04 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 1x9l n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x9l s ALA 23 N 0.00 0.14 0.32 4.61 0.00 -1.26 -4.93 121.76 120.64 1x9l s ALA 23 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1x9l s ALA 23 Cb 0.00 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.26 1x9l s ALA 23 CO 0.00 -0.15 0.00 1.04 0.00 0.00 0.00 175.76 176.65 1x9l n GLN 24 N 1.64 -2.62 0.00 0.00 6.02 -1.26 -4.77 117.38 116.39 1x9l n GLN 24 Ca -0.24 1.97 0.00 0.00 -0.01 0.00 0.00 57.00 58.72 1x9l n GLN 24 Cb 0.55 -2.28 0.00 0.00 1.02 0.00 0.00 30.24 29.53 1x9l n GLN 24 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1x9l n ALA 25 N -1.28 0.00 -1.70 -1.58 0.00 -1.26 -4.92 120.51 109.77 1x9l n ALA 25 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 53.44 52.91 1x9l n ALA 25 Cb 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.47 1x9l n ALA 25 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1x9l n LEU 26 N 0.00 2.93 -4.69 0.00 0.00 -1.26 -4.97 117.00 109.01 1x9l n LEU 26 Ca 0.00 1.02 -0.30 0.00 0.00 0.00 0.00 56.01 56.74 1x9l n LEU 26 Cb 0.00 -1.26 0.15 0.00 0.00 0.00 0.00 43.42 42.31 1x9l n LEU 26 CO 0.00 -0.24 0.65 -2.16 0.00 0.00 0.00 177.39 175.64 1x9l s PRO 27 N 3.76 0.98 -0.99 1.96 0.04 -1.26 -4.44 135.00 135.05 1x9l s PRO 27 Ca 0.95 0.86 -0.08 0.00 0.04 0.00 0.00 61.00 62.78 1x9l s PRO 27 Cb -0.88 -1.77 -0.11 0.00 0.04 0.00 0.00 34.50 31.78 1x9l s PRO 27 CO 0.58 -2.45 3.09 1.33 0.04 0.00 0.00 177.00 179.59 1x9l n VAL 28 N -4.03 3.95 -2.81 -0.36 0.24 -1.26 -4.25 118.33 109.80 1x9l n VAL 28 Ca 0.07 -2.49 -0.10 0.00 -2.04 0.00 0.00 64.34 59.77 1x9l n VAL 28 Cb 0.55 -2.28 0.07 0.00 -1.47 0.00 0.00 33.84 30.71 1x9l n VAL 28 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1x9l n THR 29 N 2.80 0.01 -3.82 3.34 -2.24 -1.21 -4.37 114.28 108.80 1x9l n THR 29 Ca 0.63 -2.18 -0.32 0.00 -2.27 0.00 0.00 64.05 59.91 1x9l n THR 29 Cb 0.47 1.04 -0.11 0.00 -2.10 0.00 0.00 70.33 69.63 1x9l n THR 29 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1x9l s VAL 30 N -0.44 3.27 0.07 2.28 0.11 -1.26 -5.03 120.40 119.40 1x9l s VAL 30 Ca 0.26 -3.64 -0.07 0.00 -2.93 0.00 0.00 61.98 55.59 1x9l s VAL 30 Cb 0.33 -3.14 -0.01 0.00 -1.53 0.00 0.00 36.38 32.03 1x9l s VAL 30 CO -0.06 -0.93 0.15 0.00 -3.33 0.00 0.00 175.10 170.93 1x9l s GLN 31 N -0.80 0.76 0.00 1.54 0.00 -1.26 -4.50 119.66 115.40 1x9l s GLN 31 Ca 0.21 -0.93 0.00 0.00 -0.00 0.00 0.00 55.36 54.65 1x9l s GLN 31 Cb -0.15 0.30 0.00 0.00 0.00 0.00 0.00 33.01 33.16 1x9l s GLN 31 CO -0.08 -0.22 0.00 0.41 0.00 0.00 0.00 175.29 175.40 1x9l n GLY 32 N 0.17 -0.50 3.43 2.60 0.00 -1.26 -5.01 105.19 104.61 1x9l n GLY 32 Ca -0.16 -1.70 -0.16 0.00 0.00 0.00 0.00 46.02 44.00 1x9l n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x9l s ALA 33 N -3.74 -1.45 0.08 4.61 0.00 -1.26 -4.49 121.76 115.52 1x9l s ALA 33 Ca 0.00 1.02 0.03 0.00 0.00 0.00 0.00 51.96 53.02 1x9l s ALA 33 Cb 0.00 -0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.06 1x9l s ALA 33 CO 0.00 -0.33 -0.10 0.95 0.00 0.00 0.00 175.76 176.28 1x9l s THR 34 N -1.16 0.84 -0.05 0.00 -4.23 -0.04 -1.06 115.64 109.93 1x9l s THR 34 Ca -0.11 -1.50 0.04 0.00 -1.18 0.00 0.00 61.69 58.93 1x9l s THR 34 Cb -0.02 -1.19 0.00 0.00 1.34 0.00 0.00 72.50 72.64 1x9l s THR 34 CO 0.08 -0.51 -0.16 -0.69 -0.54 0.00 0.00 174.62 172.79 1x9l s VAL 35 N -2.19 1.39 -0.38 2.29 1.01 0.13 -0.60 120.40 122.05 1x9l s VAL 35 Ca 0.02 -0.67 -0.29 0.00 0.00 0.00 0.00 61.98 61.04 1x9l s VAL 35 Cb -0.04 -1.21 0.00 0.00 0.00 0.00 0.00 36.38 35.13 1x9l s VAL 35 CO -0.00 0.40 1.51 0.00 0.00 0.00 0.00 175.10 177.01 1x9l s ALA 36 N 0.22 3.03 0.49 5.51 0.00 -0.52 0.18 121.76 130.67 1x9l s ALA 36 Ca -0.08 -0.02 -0.23 0.00 0.00 0.00 0.00 51.96 51.63 1x9l s ALA 36 Cb -0.13 -3.95 -0.07 0.00 0.00 0.00 0.00 23.12 18.97 1x9l s ALA 36 CO 0.03 -2.40 1.25 0.00 0.00 0.00 0.00 175.76 174.63 1x9l n ALA 37 N 9.09 1.20 0.00 0.00 0.00 -1.26 -4.55 120.51 124.98 1x9l n ALA 37 Ca 0.18 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1x9l n ALA 37 Cb 0.47 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.66 1x9l n ALA 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1x9l n VAL 38 N -0.71 0.00 -0.67 0.00 0.31 -1.26 -4.46 118.33 111.55 1x9l n VAL 38 Ca 0.09 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.11 1x9l n VAL 38 Cb 0.42 0.00 0.17 0.00 -0.91 0.00 0.00 33.84 33.53 1x9l n VAL 38 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1x9l n PRO 39 N 0.00 -0.97 -0.87 5.55 -0.02 -1.26 -4.84 135.00 132.59 1x9l n PRO 39 Ca 0.00 -0.24 -0.15 0.00 -2.02 0.00 0.00 63.50 61.09 1x9l n PRO 39 Cb 0.00 -2.11 -0.11 0.00 -0.02 0.00 0.00 33.50 31.27 1x9l n PRO 39 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1x9l n PRO 40 N -3.42 1.96 -2.75 0.52 -0.04 -1.26 -3.92 135.00 126.10 1x9l n PRO 40 Ca 0.07 -1.08 -0.09 0.00 -0.04 0.00 0.00 63.50 62.36 1x9l n PRO 40 Cb 0.54 -2.09 0.09 0.00 -0.04 0.00 0.00 33.50 32.00 1x9l n PRO 40 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x9l n SER 41 N 2.92 -1.80 -0.73 3.54 2.88 -1.26 -4.97 113.62 114.20 1x9l n SER 41 Ca 0.42 -3.17 0.09 0.00 -1.33 0.00 0.00 58.87 54.88 1x9l n SER 41 Cb 0.60 1.32 -0.04 0.00 -0.75 0.00 0.00 64.21 65.34 1x9l n SER 41 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1x9l n ILE 42 N -0.00 -0.06 -0.30 2.46 5.41 -1.25 -4.41 119.36 121.21 1x9l n ILE 42 Ca 0.04 0.28 0.09 0.00 1.00 0.00 0.00 62.75 64.16 1x9l n ILE 42 Cb 0.76 -0.52 0.25 0.00 -0.71 0.00 0.00 39.64 39.41 1x9l n ILE 42 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 176.55 176.63 1x9l h ARG 43 N -0.71 0.51 -6.55 0.38 -0.00 -1.96 -3.39 114.38 102.67 1x9l h ARG 43 Ca -0.05 -0.03 -0.54 0.00 -0.00 0.00 0.00 59.98 59.36 1x9l h ARG 43 Cb 0.69 -0.12 0.05 0.00 -0.00 0.00 0.00 29.97 30.59 1x9l h ARG 43 CO 0.03 0.34 1.04 -0.25 -0.00 0.00 0.00 179.97 181.13 1x9l n ASP 44 N -4.94 3.90 -0.58 0.08 8.00 -1.26 -4.65 116.55 117.10 1x9l n ASP 44 Ca 0.19 1.02 0.00 0.00 0.71 0.00 0.00 54.79 56.71 1x9l n ASP 44 Cb 0.51 -1.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.08 1x9l n ASP 44 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1x9l n THR 45 N 4.31 0.00 -3.66 -3.53 5.66 -1.20 -4.77 114.28 111.09 1x9l n THR 45 Ca 0.17 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 61.06 1x9l n THR 45 Cb 0.35 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.08 1x9l n THR 45 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x9l s ALA 46 N -1.72 -0.90 0.52 1.79 0.00 -1.26 -1.36 121.76 118.83 1x9l s ALA 46 Ca 0.00 0.04 -0.08 0.00 0.00 0.00 0.00 51.96 51.91 1x9l s ALA 46 Cb 0.00 0.54 -0.04 0.00 0.00 0.00 0.00 23.12 23.62 1x9l s ALA 46 CO 0.00 -0.56 0.87 0.00 0.00 0.00 0.00 175.76 176.07 1x9l s ALA 47 N -3.29 3.28 -0.10 0.00 0.00 -0.57 -1.44 121.76 119.65 1x9l s ALA 47 Ca -0.00 -0.29 0.03 0.00 0.00 0.00 0.00 51.96 51.69 1x9l s ALA 47 Cb 0.01 -2.79 0.01 0.00 0.00 0.00 0.00 23.12 20.35 1x9l s ALA 47 CO -0.08 -0.40 -0.17 0.71 0.00 0.00 0.00 175.76 175.81 1x9l s TYR 48 N -2.82 2.05 0.37 0.00 2.02 0.23 -4.34 117.35 114.85 1x9l s TYR 48 Ca 0.51 -0.88 -0.14 0.00 -0.37 0.00 0.00 57.07 56.19 1x9l s TYR 48 Cb -0.10 -1.43 0.04 0.00 -0.40 0.00 0.00 41.96 40.06 1x9l s TYR 48 CO 0.45 -0.41 0.72 0.00 -1.57 0.00 0.00 175.55 174.74 1x9l s MET 49 N 0.68 2.13 0.43 -0.62 0.23 -0.40 -0.86 119.30 120.88 1x9l s MET 49 Ca -0.13 -1.46 0.06 0.00 -1.03 0.00 0.00 55.69 53.14 1x9l s MET 49 Cb -0.16 0.59 0.01 0.00 -1.53 0.00 0.00 34.83 33.74 1x9l s MET 49 CO 0.03 -0.97 0.60 0.95 -2.03 0.00 0.00 175.02 173.60 1x9l s THR 50 N -2.62 3.18 0.02 3.16 -4.23 -1.26 -0.44 115.64 113.46 1x9l s THR 50 Ca 0.18 -0.90 0.02 0.00 -1.18 0.00 0.00 61.69 59.81 1x9l s THR 50 Cb -0.04 -3.10 -0.02 0.00 1.34 0.00 0.00 72.50 70.68 1x9l s THR 50 CO 0.13 -0.05 -0.06 -0.22 -0.54 0.00 0.00 174.62 173.87 1x9l s LEU 51 N -4.42 2.17 -0.15 4.79 2.96 -0.69 -4.72 118.68 118.62 1x9l s LEU 51 Ca 0.53 -0.38 -0.04 0.00 -0.22 0.00 0.00 54.13 54.02 1x9l s LEU 51 Cb -0.10 -0.18 0.06 0.00 0.50 0.00 0.00 46.19 46.47 1x9l s LEU 51 CO 0.34 -0.12 0.11 -0.89 -1.32 0.00 0.00 176.35 174.47 1x9l s THR 52 N -0.93 -0.13 -0.24 3.68 2.01 -1.26 -1.71 115.64 117.06 1x9l s THR 52 Ca -0.06 -0.06 -0.27 0.00 0.31 0.00 0.00 61.69 61.61 1x9l s THR 52 Cb -0.07 -0.52 0.00 0.00 0.01 0.00 0.00 72.50 71.92 1x9l s THR 52 CO 0.00 -0.20 0.93 0.20 -0.69 0.00 0.00 174.62 174.86 1x9l s ASN 53 N 2.17 6.94 -0.43 3.53 0.01 -0.55 -3.32 114.94 123.29 1x9l s ASN 53 Ca 0.03 1.16 0.05 0.00 -0.71 0.00 0.00 52.86 53.39 1x9l s ASN 53 Cb -0.15 -2.48 0.17 0.00 0.41 0.00 0.00 41.25 39.20 1x9l s ASN 53 CO -0.09 -0.60 0.43 -0.75 -1.51 0.00 0.00 177.10 174.58 1x9l s LYS 54 N 3.03 0.92 0.00 -0.60 2.47 -1.26 -4.79 119.74 119.51 1x9l s LYS 54 Ca 0.39 -1.79 0.00 0.00 -1.56 0.00 0.00 55.97 53.01 1x9l s LYS 54 Cb -0.15 -1.06 0.00 0.00 -1.46 0.00 0.00 37.83 35.16 1x9l s LYS 54 CO 0.07 -1.36 0.00 0.43 0.16 0.00 0.00 175.35 174.65 1x9l n SER 55 N 2.96 0.00 -1.81 1.43 7.64 -1.26 -4.47 113.62 118.11 1x9l n SER 55 Ca 0.26 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 60.09 1x9l n SER 55 Cb 0.49 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.72 1x9l n SER 55 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1x9l n ASP 56 N 0.00 -2.45 -3.88 6.43 9.92 -1.26 -5.02 116.55 120.29 1x9l n ASP 56 Ca 0.00 -0.19 -0.09 0.00 -0.53 0.00 0.00 54.79 53.98 1x9l n ASP 56 Cb 0.00 -1.87 -0.08 0.00 -0.64 0.00 0.00 41.12 38.53 1x9l n ASP 56 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1x9l s GLN 57 N -4.08 0.75 -1.33 -1.24 -0.21 -1.26 -4.74 119.66 107.55 1x9l s GLN 57 Ca 0.04 -0.85 -0.16 0.00 0.02 0.00 0.00 55.36 54.42 1x9l s GLN 57 Cb -0.01 0.30 0.01 0.00 1.00 0.00 0.00 33.01 34.31 1x9l s GLN 57 CO 0.22 -0.22 2.15 -0.35 -2.12 0.00 0.00 175.29 174.97 1x9l n PRO 58 N 0.29 2.63 -3.01 2.91 -0.04 -1.26 -1.22 135.00 135.30 1x9l n PRO 58 Ca -0.17 -2.50 -0.32 0.00 -0.04 0.00 0.00 63.50 60.47 1x9l n PRO 58 Cb 0.61 -3.24 -0.05 0.00 -0.04 0.00 0.00 33.50 30.78 1x9l n PRO 58 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1x9l s ILE 59 N 3.63 4.72 -0.41 0.52 -1.09 -0.84 -4.86 121.20 122.87 1x9l s ILE 59 Ca 0.49 0.81 0.03 0.00 -2.23 0.00 0.00 60.65 59.76 1x9l s ILE 59 Cb 0.13 -3.66 0.16 0.00 -1.58 0.00 0.00 42.46 37.52 1x9l s ILE 59 CO -0.04 -0.33 0.32 -1.59 -1.23 0.00 0.00 174.94 172.07 1x9l s LYS 60 N -3.35 0.89 -1.49 2.79 -2.85 -1.26 -0.39 119.74 114.07 1x9l s LYS 60 Ca 0.53 -2.01 -0.10 0.00 -1.00 0.00 0.00 55.97 53.39 1x9l s LYS 60 Cb -0.10 -1.46 0.01 0.00 -2.06 0.00 0.00 37.83 34.21 1x9l s LYS 60 CO 0.23 -1.35 2.57 1.28 0.10 0.00 0.00 175.35 178.18 1x9l n LEU 61 N 3.03 7.97 -3.36 2.77 4.77 -1.25 -4.00 117.00 126.93 1x9l n LEU 61 Ca 0.26 -4.45 -0.39 0.00 -0.03 0.00 0.00 56.01 51.40 1x9l n LEU 61 Cb 0.46 -1.54 -0.02 0.00 -2.33 0.00 0.00 43.42 39.99 1x9l n LEU 61 CO 0.10 1.78 3.17 0.55 -1.33 0.00 0.00 177.39 181.66 1x9l n VAL 62 N 3.54 4.53 -3.53 4.08 3.14 -1.26 -4.77 118.33 124.06 1x9l n VAL 62 Ca 0.65 -2.99 -0.18 0.00 -2.96 0.00 0.00 64.34 58.86 1x9l n VAL 62 Cb 0.28 -2.49 -0.06 0.00 -1.06 0.00 0.00 33.84 30.51 1x9l n VAL 62 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1x9l s GLY 63 N 1.77 -0.57 -0.45 7.55 0.00 -1.25 -4.47 107.32 109.90 1x9l s GLY 63 Ca 0.66 1.37 0.07 0.00 0.00 0.00 0.00 44.72 46.82 1x9l s GLY 63 CO -0.07 1.02 1.07 0.00 0.00 0.00 0.00 173.10 175.12 1x9l n ALA 64 N 1.06 -0.39 -2.61 3.20 0.00 -1.25 -4.32 120.51 116.20 1x9l n ALA 64 Ca -0.19 -1.72 -0.38 0.00 0.00 0.00 0.00 53.44 51.15 1x9l n ALA 64 Cb 0.57 -1.13 -0.06 0.00 0.00 0.00 0.00 19.45 18.83 1x9l n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x9l s ALA 65 N -0.10 3.49 -0.07 0.00 0.00 -0.08 -4.76 121.76 120.24 1x9l s ALA 65 Ca 0.24 -0.07 -0.31 0.00 0.00 0.00 0.00 51.96 51.82 1x9l s ALA 65 Cb 0.30 -2.69 0.08 0.00 0.00 0.00 0.00 23.12 20.81 1x9l s ALA 65 CO -0.05 0.10 0.74 -0.08 0.00 0.00 0.00 175.76 176.47 1x9l s THR 66 N 0.16 0.00 0.00 0.00 -1.32 -1.26 -0.03 115.64 113.19 1x9l s THR 66 Ca 0.29 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.75 1x9l s THR 66 Cb -0.17 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.76 1x9l s THR 66 CO 0.14 0.00 2.18 -0.81 -2.21 0.00 0.00 174.62 173.92 1x9l n PRO 67 N 0.86 1.13 0.01 7.08 -0.04 -1.26 -3.98 135.00 138.81 1x9l n PRO 67 Ca -0.17 -0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.04 1x9l n PRO 67 Cb 0.57 -1.31 0.00 0.00 -0.04 0.00 0.00 33.50 32.72 1x9l n PRO 67 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1x9l n LEU 68 N 1.84 0.12 -4.79 1.53 0.00 -1.26 -4.62 117.00 109.82 1x9l n LEU 68 Ca 0.11 0.04 -0.39 0.00 0.00 0.00 0.00 56.01 55.77 1x9l n LEU 68 Cb 0.54 -0.02 -0.06 0.00 0.00 0.00 0.00 43.42 43.89 1x9l n LEU 68 CO 0.04 -0.55 0.31 0.00 0.00 0.00 0.00 177.39 177.20 1x9l s ALA 69 N -2.00 3.54 0.10 1.96 0.00 -1.26 -2.96 121.76 121.14 1x9l s ALA 69 Ca 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 51.96 52.02 1x9l s ALA 69 Cb 0.00 -2.72 -0.21 0.00 0.00 0.00 0.00 23.12 20.19 1x9l s ALA 69 CO 0.00 0.32 1.20 1.15 0.00 0.00 0.00 175.76 178.44 1x9l h THR 70 N 3.65 1.49 -2.48 0.00 2.02 0.43 -3.41 112.91 114.60 1x9l h THR 70 Ca -0.48 -2.91 -0.60 0.00 0.77 0.00 0.00 66.41 63.18 1x9l h THR 70 Cb 1.21 2.79 -0.42 0.00 -1.74 0.00 0.00 68.15 69.99 1x9l h THR 70 CO 0.65 0.85 -0.62 -0.24 0.37 0.00 0.00 175.52 176.53 1x9l n SER 71 N -3.58 3.22 -4.63 4.18 2.88 0.24 -4.99 113.62 110.94 1x9l n SER 71 Ca -0.07 -3.30 -0.43 0.00 -1.33 0.00 0.00 58.87 53.74 1x9l n SER 71 Cb 0.96 -0.69 -0.02 0.00 -0.75 0.00 0.00 64.21 63.70 1x9l n SER 71 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1x9l s PRO 72 N -2.01 3.85 -0.04 -1.46 0.04 -1.26 -1.10 135.00 133.02 1x9l s PRO 72 Ca 0.34 1.27 0.03 0.00 0.04 0.00 0.00 61.00 62.68 1x9l s PRO 72 Cb 0.08 -3.93 0.01 0.00 0.04 0.00 0.00 34.50 30.70 1x9l s PRO 72 CO -0.07 -1.21 -0.12 -1.64 0.04 0.00 0.00 177.00 173.99 1x9l s MET 73 N 4.36 1.44 0.34 4.56 -1.94 0.05 -4.92 119.30 123.19 1x9l s MET 73 Ca 0.59 -0.42 -0.17 0.00 -1.71 0.00 0.00 55.69 53.98 1x9l s MET 73 Cb -0.17 -1.25 -0.09 0.00 2.01 0.00 0.00 34.83 35.32 1x9l s MET 73 CO 0.25 0.12 0.79 -0.51 -0.01 0.00 0.00 175.02 175.66 1x9l s LEU 74 N 0.32 4.05 0.00 -0.03 1.43 -1.26 -0.04 118.68 123.14 1x9l s LEU 74 Ca -0.07 1.39 0.02 0.00 -1.03 0.00 0.00 54.13 54.43 1x9l s LEU 74 Cb -0.12 -4.17 -0.01 0.00 0.03 0.00 0.00 46.19 41.92 1x9l s LEU 74 CO 0.02 -0.23 0.06 0.80 0.23 0.00 0.00 176.35 177.22 1x9l n MET 75 N -0.38 0.89 -3.64 1.70 1.56 0.55 -3.42 117.12 114.38 1x9l n MET 75 Ca 0.04 -1.64 -0.10 0.00 -0.27 0.00 0.00 57.70 55.73 1x9l n MET 75 Cb 0.53 0.80 -0.07 0.00 2.15 0.00 0.00 33.22 36.63 1x9l n MET 75 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 1x9l s THR 76 N -2.19 -0.00 0.31 1.12 2.01 -0.49 -4.29 115.64 112.10 1x9l s THR 76 Ca 0.08 0.00 -0.00 0.00 0.31 0.00 0.00 61.69 62.08 1x9l s THR 76 Cb 0.00 -0.98 0.06 0.00 0.01 0.00 0.00 72.50 71.59 1x9l s THR 76 CO 0.06 0.00 0.42 1.07 -0.69 0.00 0.00 174.62 175.48 1x9l n THR 77 N 3.62 0.00 -1.93 -0.82 5.66 0.70 -2.47 114.28 119.04 1x9l n THR 77 Ca -0.17 -0.65 -0.42 0.00 -3.05 0.00 0.00 64.05 59.75 1x9l n THR 77 Cb 0.57 -1.20 0.00 0.00 -1.55 0.00 0.00 70.33 68.15 1x9l n THR 77 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1x9l n THR 78 N -2.02 3.57 -0.37 1.09 -1.04 -1.26 -0.53 114.28 113.72 1x9l n THR 78 Ca 0.07 -3.27 0.05 0.00 -2.04 0.00 0.00 64.05 58.86 1x9l n THR 78 Cb 0.25 -2.55 -0.02 0.00 -1.82 0.00 0.00 70.33 66.19 1x9l n THR 78 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 1x9l n HIS 79 N 6.62 -0.97 0.00 -1.42 -0.00 -1.23 -4.87 115.22 113.34 1x9l n HIS 79 Ca 0.51 0.52 0.00 0.00 -0.00 0.00 0.00 57.72 58.76 1x9l n HIS 79 Cb 0.41 -0.88 0.00 0.00 -0.00 0.00 0.00 29.99 29.51 1x9l n HIS 79 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1x9l n SER 80 N -2.78 0.00 -4.57 0.41 7.64 -1.26 -4.58 113.62 108.48 1x9l n SER 80 Ca -0.02 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.49 1x9l n SER 80 Cb 0.17 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.34 1x9l n SER 80 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x9l s GLY 81 N 0.00 1.03 0.00 0.23 0.00 -1.26 -4.85 107.32 102.48 1x9l s GLY 81 Ca 0.00 -2.23 0.00 0.00 0.00 0.00 0.00 44.72 42.49 1x9l s GLY 81 CO 0.00 2.93 0.00 0.61 0.00 0.00 0.00 173.10 176.64 1x9l n GLY 82 N 6.50 -0.66 0.00 0.20 0.00 -1.26 -0.21 105.19 109.76 1x9l n GLY 82 Ca 0.39 -1.14 0.00 0.00 0.00 0.00 0.00 46.02 45.26 1x9l n GLY 82 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1x9l n MET 83 N -0.05 0.00 -2.65 1.61 2.81 -1.26 -4.27 117.12 113.30 1x9l n MET 83 Ca 0.00 0.31 -0.03 0.00 -1.81 0.00 0.00 57.70 56.17 1x9l n MET 83 Cb 0.00 -1.07 0.09 0.00 -0.71 0.00 0.00 33.22 31.53 1x9l n MET 83 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1x9l n ALA 84 N -1.43 -3.67 0.00 3.04 0.00 -1.15 -3.55 120.51 113.75 1x9l n ALA 84 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1x9l n ALA 84 Cb 0.00 -3.42 0.00 0.00 0.00 0.00 0.00 19.45 16.03 1x9l n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x9l n GLY 85 N 1.11 0.93 2.39 0.00 0.00 0.31 -4.84 105.19 105.09 1x9l n GLY 85 Ca -0.03 -1.94 -0.21 0.00 0.00 0.00 0.00 46.02 43.85 1x9l n GLY 85 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1x9l n MET 86 N 1.44 2.16 -3.72 1.61 0.00 -1.03 -4.37 117.12 113.22 1x9l n MET 86 Ca 0.00 -1.34 -0.26 0.00 -0.00 0.00 0.00 57.70 56.10 1x9l n MET 86 Cb 0.00 -2.31 -0.03 0.00 0.00 0.00 0.00 33.22 30.88 1x9l n MET 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 1x9l s LYS 87 N 2.53 3.50 -1.33 2.12 -2.85 -1.26 -4.93 119.74 117.52 1x9l s LYS 87 Ca 0.48 -0.40 -0.17 0.00 -1.00 0.00 0.00 55.97 54.88 1x9l s LYS 87 Cb 0.16 -2.84 0.05 0.00 -2.06 0.00 0.00 37.83 33.14 1x9l s LYS 87 CO -0.03 0.39 1.92 -1.33 0.10 0.00 0.00 175.35 176.40 1x9l n MET 88 N -0.82 2.96 -1.53 1.78 2.81 -1.26 -4.11 117.12 116.94 1x9l n MET 88 Ca -0.05 -2.97 -0.35 0.00 -1.81 0.00 0.00 57.70 52.52 1x9l n MET 88 Cb 0.54 -3.42 0.08 0.00 -0.71 0.00 0.00 33.22 29.71 1x9l n MET 88 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1x9l s VAL 89 N 4.23 2.29 0.21 2.03 0.11 -1.22 -4.93 120.40 123.12 1x9l s VAL 89 Ca 0.52 0.15 -0.11 0.00 -2.93 0.00 0.00 61.98 59.61 1x9l s VAL 89 Cb 0.07 -2.81 0.28 0.00 -1.53 0.00 0.00 36.38 32.40 1x9l s VAL 89 CO 0.03 -0.07 1.31 -0.81 -3.33 0.00 0.00 175.10 172.23 1x9l n PRO 90 N -2.49 -0.14 -3.83 1.54 -0.04 -1.26 -4.63 135.00 124.14 1x9l n PRO 90 Ca 0.14 1.31 0.04 0.00 -0.04 0.00 0.00 63.50 64.95 1x9l n PRO 90 Cb 0.50 -1.95 0.01 0.00 -0.04 0.00 0.00 33.50 32.02 1x9l n PRO 90 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 1x9l s TRP 91 N -5.91 0.00 -0.54 0.54 -2.14 -1.26 -4.89 118.94 104.74 1x9l s TRP 91 Ca -0.12 -0.02 -0.16 0.00 2.66 0.00 0.00 56.10 58.46 1x9l s TRP 91 Cb 0.20 0.51 0.12 0.00 -3.10 0.00 0.00 33.47 31.19 1x9l s TRP 91 CO 0.63 -0.04 0.52 -0.48 -2.66 0.00 0.00 176.95 174.91 1x9l s LEU 92 N -3.55 5.97 0.19 -4.66 0.05 -1.26 -4.97 118.68 110.44 1x9l s LEU 92 Ca 0.25 -1.65 -0.30 0.00 0.05 0.00 0.00 54.13 52.48 1x9l s LEU 92 Cb 0.03 -2.23 -0.08 0.00 -2.05 0.00 0.00 46.19 41.87 1x9l s LEU 92 CO -0.04 -0.87 1.06 -0.89 -0.55 0.00 0.00 176.35 175.06 1x9l s THR 93 N 1.79 3.92 -0.51 5.48 2.01 -1.26 -3.95 115.64 123.13 1x9l s THR 93 Ca 0.05 1.72 -0.09 0.00 0.31 0.00 0.00 61.69 63.67 1x9l s THR 93 Cb -0.28 -4.09 0.13 0.00 0.01 0.00 0.00 72.50 68.26 1x9l s THR 93 CO 0.04 0.32 0.39 0.27 -0.69 0.00 0.00 174.62 174.95 1x9l s ILE 94 N -0.44 4.30 -0.48 1.82 -4.36 0.48 -4.65 121.20 117.87 1x9l s ILE 94 Ca 0.47 -1.91 -0.07 0.00 -0.26 0.00 0.00 60.65 58.88 1x9l s ILE 94 Cb -0.28 -3.82 -0.20 0.00 1.25 0.00 0.00 42.46 39.41 1x9l s ILE 94 CO 0.35 -0.81 3.39 -0.81 0.24 0.00 0.00 174.94 177.30 1x9l n PRO 95 N 4.76 2.52 -1.47 0.37 -0.04 -1.26 -1.98 135.00 137.89 1x9l n PRO 95 Ca -0.06 -1.43 0.00 0.00 -0.04 0.00 0.00 63.50 61.98 1x9l n PRO 95 Cb 0.41 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 1x9l n PRO 95 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x9l n ALA 96 N 2.70 -1.88 -0.68 0.55 0.00 -0.36 -4.67 120.51 116.17 1x9l n ALA 96 Ca 0.53 0.43 0.00 0.00 0.00 0.00 0.00 53.44 54.41 1x9l n ALA 96 Cb 0.71 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.79 1x9l n ALA 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1x9l n ARG 97 N -1.57 -0.61 -1.73 0.00 3.00 -1.26 -4.86 116.66 109.62 1x9l n ARG 97 Ca 0.00 0.15 -0.43 0.00 -0.01 0.00 0.00 57.85 57.56 1x9l n ARG 97 Cb 0.18 -4.56 -0.03 0.00 0.00 0.00 0.00 32.46 28.06 1x9l n ARG 97 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1x9l s GLY 98 N -2.00 0.61 -0.46 -0.13 0.00 -1.26 -4.64 107.32 99.44 1x9l s GLY 98 Ca 0.00 0.63 0.06 0.00 0.00 0.00 0.00 44.72 45.41 1x9l s GLY 98 CO 0.00 3.64 0.59 2.41 0.00 0.00 0.00 173.10 179.74 1x9l n THR 99 N 7.62 -0.53 -2.66 0.90 -1.04 -1.26 -1.48 114.28 115.83 1x9l n THR 99 Ca 0.28 -2.41 0.00 0.00 -2.04 0.00 0.00 64.05 59.88 1x9l n THR 99 Cb 0.45 -0.30 0.00 0.00 -1.82 0.00 0.00 70.33 68.66 1x9l n THR 99 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1x9l n LEU 100 N 2.42 0.00 -3.61 -4.42 -0.00 -0.69 -4.91 117.00 105.78 1x9l n LEU 100 Ca 0.21 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 56.13 1x9l n LEU 100 Cb 0.54 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.87 1x9l n LEU 100 CO 0.06 0.00 0.01 -0.89 -0.00 0.00 0.00 177.39 176.57 1x9l s THR 101 N 1.34 -0.64 -0.23 1.47 2.01 -1.26 -1.70 115.64 116.64 1x9l s THR 101 Ca 0.00 0.14 -0.25 0.00 0.31 0.00 0.00 61.69 61.89 1x9l s THR 101 Cb 0.00 -0.68 -0.01 0.00 0.01 0.00 0.00 72.50 71.83 1x9l s THR 101 CO 0.00 0.05 0.85 -0.76 -0.69 0.00 0.00 174.62 174.07 1x9l s LEU 102 N 2.60 4.10 0.05 4.42 1.02 0.42 -4.73 118.68 126.56 1x9l s LEU 102 Ca 0.01 1.10 -0.21 0.00 0.02 0.00 0.00 54.13 55.05 1x9l s LEU 102 Cb -0.12 -3.23 0.05 0.00 0.02 0.00 0.00 46.19 42.90 1x9l s LEU 102 CO -0.13 -0.51 0.49 0.00 0.02 0.00 0.00 176.35 176.22 1x9l s GLN 103 N 2.73 1.01 -0.19 1.70 -2.07 0.56 -1.28 119.66 122.12 1x9l s GLN 103 Ca 0.36 -0.29 -0.06 0.00 -1.82 0.00 0.00 55.36 53.55 1x9l s GLN 103 Cb -0.16 0.46 -0.24 0.00 -1.09 0.00 0.00 33.01 31.99 1x9l s GLN 103 CO 0.08 -0.36 3.52 -2.13 -1.32 0.00 0.00 175.29 175.08 1x9l n ARG 104 N 0.40 2.20 0.00 9.60 0.63 -1.26 -3.76 116.66 124.47 1x9l n ARG 104 Ca -0.18 -1.19 0.00 0.00 -0.92 0.00 0.00 57.85 55.56 1x9l n ARG 104 Cb 0.60 -2.09 0.00 0.00 0.45 0.00 0.00 32.46 31.43 1x9l n ARG 104 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1x9l n ASP 105 N 2.54 0.00 0.08 6.15 -0.08 -1.26 -5.08 116.55 118.91 1x9l n ASP 105 Ca 0.47 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.75 1x9l n ASP 105 Cb 0.83 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.29 1x9l n ASP 105 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x9l n GLY 106 N 3.06 -0.19 3.72 0.27 0.00 -1.25 -4.84 105.19 105.97 1x9l n GLY 106 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1x9l n GLY 106 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x9l s ASP 107 N -5.02 6.22 0.00 1.61 -1.08 -1.23 -1.40 116.67 115.77 1x9l s ASP 107 Ca 0.00 0.24 0.00 0.00 -0.52 0.00 0.00 52.55 52.27 1x9l s ASP 107 Cb 0.00 -2.10 0.00 0.00 -1.46 0.00 0.00 42.92 39.36 1x9l s ASP 107 CO 0.00 0.15 0.00 0.00 0.52 0.00 0.00 175.17 175.84 1x9l n HIS 108 N 3.65 0.00 -4.00 -5.34 1.44 -1.26 -0.33 115.22 109.38 1x9l n HIS 108 Ca -0.15 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.21 1x9l n HIS 108 Cb 0.52 0.00 -0.13 0.00 0.12 0.00 0.00 29.99 30.50 1x9l n HIS 108 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 1x9l s VAL 109 N -2.00 3.68 -0.66 0.61 1.01 -1.26 -0.33 120.40 121.45 1x9l s VAL 109 Ca 0.00 -0.40 -0.26 0.00 0.00 0.00 0.00 61.98 61.32 1x9l s VAL 109 Cb 0.00 -2.67 0.04 0.00 0.00 0.00 0.00 36.38 33.75 1x9l s VAL 109 CO 0.00 0.42 1.15 -0.04 0.00 0.00 0.00 175.10 176.64 1x9l s MET 110 N 1.25 3.28 -1.30 2.72 -1.94 0.94 -1.52 119.30 122.73 1x9l s MET 110 Ca 0.03 -0.21 -0.18 0.00 -1.71 0.00 0.00 55.69 53.62 1x9l s MET 110 Cb -0.14 -4.12 0.04 0.00 2.01 0.00 0.00 34.83 32.61 1x9l s MET 110 CO -0.00 -1.87 1.87 1.28 -0.01 0.00 0.00 175.02 176.29 1x9l n LEU 111 N 8.57 5.10 -4.94 -0.03 4.77 -0.46 -0.77 117.00 129.23 1x9l n LEU 111 Ca 0.03 -3.84 -0.24 0.00 -0.03 0.00 0.00 56.01 51.93 1x9l n LEU 111 Cb 0.48 -1.71 0.02 0.00 -2.33 0.00 0.00 43.42 39.89 1x9l n LEU 111 CO 0.69 0.11 0.39 -0.04 -1.33 0.00 0.00 177.39 177.21 1x9l s MET 112 N 4.29 2.90 -0.54 3.23 -1.94 -0.26 -3.23 119.30 123.76 1x9l s MET 112 Ca 0.54 -0.38 -0.00 0.00 -1.71 0.00 0.00 55.69 54.15 1x9l s MET 112 Cb 0.06 -2.44 -0.00 0.00 2.01 0.00 0.00 34.83 34.46 1x9l s MET 112 CO 0.05 -0.52 0.51 0.41 -0.01 0.00 0.00 175.02 175.46 1x9l n GLY 113 N -2.32 -0.98 3.55 -0.03 0.00 -1.26 -0.59 105.19 103.57 1x9l n GLY 113 Ca 0.04 0.28 -0.50 0.00 0.00 0.00 0.00 46.02 45.84 1x9l n GLY 113 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1x9l n LEU 114 N -1.56 1.07 0.05 0.99 7.94 -1.26 0.05 117.00 124.27 1x9l n LEU 114 Ca -0.00 1.14 -0.00 0.00 -1.11 0.00 0.00 56.01 56.04 1x9l n LEU 114 Cb 0.50 -1.16 -0.00 0.00 0.53 0.00 0.00 43.42 43.29 1x9l n LEU 114 CO 0.38 -1.55 -0.02 2.29 -1.11 0.00 0.00 177.39 177.39 1x9l n LYS 115 N 1.62 0.01 -3.55 1.96 2.85 -1.16 -4.83 118.16 115.06 1x9l n LYS 115 Ca 0.16 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 57.07 1x9l n LYS 115 Cb 0.23 -0.51 -0.06 0.00 -0.65 0.00 0.00 35.03 34.05 1x9l n LYS 115 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1x9l s ARG 116 N -1.99 3.81 0.79 -1.58 1.81 -1.26 -5.08 118.95 115.45 1x9l s ARG 116 Ca -0.01 0.25 -0.10 0.00 -1.72 0.00 0.00 55.73 54.15 1x9l s ARG 116 Cb 0.00 -3.06 0.07 0.00 -0.45 0.00 0.00 34.95 31.51 1x9l s ARG 116 CO 0.01 0.60 1.10 -1.25 -0.68 0.00 0.00 175.30 175.08 1x9l s PRO 117 N -1.65 2.07 0.19 3.54 0.04 -1.26 -4.96 135.00 132.98 1x9l s PRO 117 Ca 0.30 1.23 0.09 0.00 0.04 0.00 0.00 61.00 62.65 1x9l s PRO 117 Cb -0.15 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 1x9l s PRO 117 CO 0.16 -1.79 -0.18 -0.51 0.04 0.00 0.00 177.00 174.73 1x9l s LEU 118 N -6.02 2.49 0.02 -3.56 1.43 -1.26 -5.14 118.68 106.64 1x9l s LEU 118 Ca 0.62 -0.92 0.03 0.00 -1.03 0.00 0.00 54.13 52.83 1x9l s LEU 118 Cb -0.18 -0.83 -0.02 0.00 0.03 0.00 0.00 46.19 45.20 1x9l s LEU 118 CO 0.56 -0.06 -0.09 -0.54 0.23 0.00 0.00 176.35 176.46 1x9l s LYS 119 N -3.09 0.61 -0.97 1.70 3.01 -1.26 -5.01 119.74 114.73 1x9l s LYS 119 Ca 0.19 -0.54 -0.19 0.00 -1.01 0.00 0.00 55.97 54.42 1x9l s LYS 119 Cb -0.04 -0.52 -0.10 0.00 -1.01 0.00 0.00 37.83 36.16 1x9l s LYS 119 CO 0.08 0.13 2.03 0.28 0.51 0.00 0.00 175.35 178.37 1x9l n VAL 120 N 2.15 2.30 0.00 3.17 0.31 -1.26 -0.90 118.33 124.10 1x9l n VAL 120 Ca -0.18 -1.96 0.00 0.00 -0.01 0.00 0.00 64.34 62.19 1x9l n VAL 120 Cb 0.56 -2.39 0.00 0.00 -0.91 0.00 0.00 33.84 31.10 1x9l n VAL 120 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1x9l n GLY 121 N 4.37 0.23 2.56 2.92 0.00 0.17 -4.88 105.19 110.56 1x9l n GLY 121 Ca 0.50 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.30 1x9l n GLY 121 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1x9l n GLU 122 N 0.00 -3.16 -3.67 1.61 4.07 -0.08 -4.79 120.64 114.62 1x9l n GLU 122 Ca 0.00 -1.25 -0.09 0.00 -0.06 0.00 0.00 57.16 55.77 1x9l n GLU 122 Cb 0.00 -1.30 -0.09 0.00 -0.06 0.00 0.00 31.44 29.99 1x9l n GLU 122 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 1x9l s THR 123 N -2.27 -0.11 0.04 6.31 2.01 -1.26 -0.81 115.64 119.54 1x9l s THR 123 Ca 0.53 0.06 0.04 0.00 0.31 0.00 0.00 61.69 62.63 1x9l s THR 123 Cb -0.06 -0.78 -0.02 0.00 0.01 0.00 0.00 72.50 71.65 1x9l s THR 123 CO 0.42 0.02 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.55 1x9l s VAL 124 N 1.66 0.99 0.11 3.82 1.01 -0.09 -4.93 120.40 122.96 1x9l s VAL 124 Ca -0.09 -0.98 -0.30 0.00 0.00 0.00 0.00 61.98 60.61 1x9l s VAL 124 Cb -0.08 -0.91 -0.06 0.00 0.00 0.00 0.00 36.38 35.33 1x9l s VAL 124 CO -0.16 -0.06 1.11 0.20 0.00 0.00 0.00 175.10 176.19 1x9l s ASN 125 N -1.18 7.23 -0.21 3.32 0.01 -1.26 -0.44 114.94 122.41 1x9l s ASN 125 Ca -0.00 1.99 -0.09 0.00 -0.71 0.00 0.00 52.86 54.05 1x9l s ASN 125 Cb -0.08 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 38.95 1x9l s ASN 125 CO 0.01 -0.30 0.10 -0.51 -1.51 0.00 0.00 177.10 174.89 1x9l s ILE 126 N 0.40 4.96 -0.48 0.60 2.07 0.33 -4.44 121.20 124.64 1x9l s ILE 126 Ca 0.53 0.04 -0.14 0.00 -1.41 0.00 0.00 60.65 59.67 1x9l s ILE 126 Cb -0.28 -3.28 0.10 0.00 0.13 0.00 0.00 42.46 39.13 1x9l s ILE 126 CO 0.32 0.40 0.40 -0.89 -1.91 0.00 0.00 174.94 173.25 1x9l s THR 127 N 0.80 4.94 -0.25 4.00 2.01 0.96 -0.77 115.64 127.34 1x9l s THR 127 Ca 0.05 -1.33 -0.27 0.00 0.31 0.00 0.00 61.69 60.45 1x9l s THR 127 Cb -0.13 -4.06 0.00 0.00 0.01 0.00 0.00 72.50 68.32 1x9l s THR 127 CO 0.02 -0.67 0.95 -0.22 -0.69 0.00 0.00 174.62 174.00 1x9l s LEU 128 N 1.56 4.08 -0.53 4.42 0.20 -1.16 -0.90 118.68 126.35 1x9l s LEU 128 Ca 0.04 1.18 0.04 0.00 0.69 0.00 0.00 54.13 56.08 1x9l s LEU 128 Cb -0.26 -3.38 0.16 0.00 -0.43 0.00 0.00 46.19 42.28 1x9l s LEU 128 CO 0.04 -0.62 0.37 -0.54 -0.29 0.00 0.00 176.35 175.31 1x9l s LYS 129 N 3.08 1.57 0.46 1.98 1.02 -1.26 -0.63 119.74 125.96 1x9l s LYS 129 Ca 0.40 -2.54 -0.14 0.00 0.02 0.00 0.00 55.97 53.71 1x9l s LYS 129 Cb -0.15 -2.37 -0.07 0.00 -0.52 0.00 0.00 37.83 34.72 1x9l s LYS 129 CO 0.08 -1.30 0.89 0.00 -0.92 0.00 0.00 175.35 174.09 1x9l s ALA 130 N -0.43 3.19 -0.27 5.17 0.00 -1.26 -3.82 121.76 124.34 1x9l s ALA 130 Ca 0.26 0.02 0.20 0.00 0.00 0.00 0.00 51.96 52.45 1x9l s ALA 130 Cb -0.06 -2.93 1.09 0.00 0.00 0.00 0.00 23.12 21.22 1x9l s ALA 130 CO -0.14 -0.12 1.63 -2.37 0.00 0.00 0.00 175.76 174.76 1x9l n THR 131 N -1.41 1.08 0.24 0.00 5.66 -1.26 -0.52 114.28 118.06 1x9l n THR 131 Ca 0.05 0.68 0.03 0.00 -3.05 0.00 0.00 64.05 61.76 1x9l n THR 131 Cb 0.54 -1.67 0.14 0.00 -1.55 0.00 0.00 70.33 67.79 1x9l n THR 131 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1x9l n ASP 132 N -2.21 0.00 -0.73 1.09 2.03 -1.26 -4.89 116.55 110.57 1x9l n ASP 132 Ca -0.01 0.47 0.00 0.00 0.52 0.00 0.00 54.79 55.77 1x9l n ASP 132 Cb 0.05 -0.48 0.00 0.00 -0.72 0.00 0.00 41.12 39.97 1x9l n ASP 132 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x9l n GLY 133 N -0.81 0.76 3.30 0.27 0.00 0.32 -5.10 105.19 103.92 1x9l n GLY 133 Ca 0.02 -0.44 -0.19 0.00 0.00 0.00 0.00 46.02 45.41 1x9l n GLY 133 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x9l s ARG 134 N -2.28 1.65 -0.41 1.61 0.52 -1.23 -5.01 118.95 113.80 1x9l s ARG 134 Ca 0.00 -1.95 0.06 0.00 -0.52 0.00 0.00 55.73 53.32 1x9l s ARG 134 Cb 0.00 0.18 0.17 0.00 0.52 0.00 0.00 34.95 35.82 1x9l s ARG 134 CO 0.00 -0.56 0.55 0.99 0.02 0.00 0.00 175.30 176.30 1x9l s THR 135 N -3.57 -0.74 0.71 0.02 2.01 -1.23 -4.11 115.64 108.73 1x9l s THR 135 Ca 0.38 -0.51 -0.06 0.00 0.31 0.00 0.00 61.69 61.81 1x9l s THR 135 Cb 0.04 -0.25 0.08 0.00 0.01 0.00 0.00 72.50 72.37 1x9l s THR 135 CO 0.22 -0.23 1.01 -0.76 -0.69 0.00 0.00 174.62 174.17 1x9l s LEU 136 N 1.55 2.90 -0.35 4.42 2.01 0.19 -4.93 118.68 124.46 1x9l s LEU 136 Ca 0.18 0.23 0.03 0.00 0.01 0.00 0.00 54.13 54.58 1x9l s LEU 136 Cb -0.07 -2.80 0.16 0.00 0.01 0.00 0.00 46.19 43.49 1x9l s LEU 136 CO -0.06 -1.70 0.39 0.21 1.01 0.00 0.00 176.35 176.20 1x9l s ASN 137 N -4.58 0.90 -0.13 2.29 2.47 -1.26 -2.98 114.94 111.65 1x9l s ASN 137 Ca 0.62 -1.22 -0.06 0.00 0.42 0.00 0.00 52.86 52.62 1x9l s ASN 137 Cb -0.09 0.75 -0.04 0.00 -1.45 0.00 0.00 41.25 40.42 1x9l s ASN 137 CO 0.45 -0.28 0.10 -0.69 -3.72 0.00 0.00 177.10 172.95 1x9l s VAL 138 N 1.76 5.14 -0.34 -5.21 1.01 0.05 -4.91 120.40 117.90 1x9l s VAL 138 Ca 0.15 0.07 -0.26 0.00 0.00 0.00 0.00 61.98 61.94 1x9l s VAL 138 Cb -0.14 -3.24 0.01 0.00 0.00 0.00 0.00 36.38 33.01 1x9l s VAL 138 CO -0.12 0.58 0.94 0.00 0.00 0.00 0.00 175.10 176.49 1x9l s ALA 139 N -0.68 3.46 -0.24 5.51 0.00 -1.26 -0.51 121.76 128.03 1x9l s ALA 139 Ca 0.12 -0.34 -0.08 0.00 0.00 0.00 0.00 51.96 51.66 1x9l s ALA 139 Cb -0.12 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 1x9l s ALA 139 CO 0.03 -1.49 0.10 0.00 0.00 0.00 0.00 175.76 174.40 1x9l s ALA 140 N 3.41 3.35 -0.11 0.00 0.00 0.42 -4.17 121.76 124.66 1x9l s ALA 140 Ca 0.39 -0.99 -0.27 0.00 0.00 0.00 0.00 51.96 51.09 1x9l s ALA 140 Cb -0.12 -2.15 -0.02 0.00 0.00 0.00 0.00 23.12 20.83 1x9l s ALA 140 CO 0.17 -0.29 0.88 0.99 0.00 0.00 0.00 175.76 177.51 1x9l s THR 141 N 1.25 4.88 -0.59 0.00 2.01 -0.23 -0.92 115.64 122.05 1x9l s THR 141 Ca 0.06 1.78 -0.25 0.00 0.31 0.00 0.00 61.69 63.59 1x9l s THR 141 Cb -0.14 -4.20 0.04 0.00 0.01 0.00 0.00 72.50 68.21 1x9l s THR 141 CO 0.05 0.08 1.04 -0.69 -0.69 0.00 0.00 174.62 174.40 1x9l s VAL 142 N 1.71 4.22 -0.21 3.82 1.01 0.01 -0.69 120.40 130.27 1x9l s VAL 142 Ca 0.43 0.40 -0.04 0.00 0.00 0.00 0.00 61.98 62.76 1x9l s VAL 142 Cb -0.18 -4.64 0.08 0.00 0.00 0.00 0.00 36.38 31.65 1x9l s VAL 142 CO 0.17 -1.27 0.14 -0.54 0.00 0.00 0.00 175.10 173.60 1x9l s LYS 143 N 4.39 0.14 0.00 2.72 -0.14 0.13 0.45 119.74 127.42 1x9l s LYS 143 Ca 0.33 -0.13 0.00 0.00 -1.36 0.00 0.00 55.97 54.81 1x9l s LYS 143 Cb -0.11 -1.45 0.00 0.00 -1.68 0.00 0.00 37.83 34.59 1x9l s LYS 143 CO 0.20 -0.78 0.48 1.17 -0.76 0.00 0.00 175.35 175.66 1x9l n LYS 144 N 5.28 0.00 -2.01 1.68 4.81 -1.25 -3.72 118.16 122.95 1x9l n LYS 144 Ca -0.06 0.47 -0.01 0.00 -0.87 0.00 0.00 58.31 57.84 1x9l n LYS 144 Cb 0.47 -0.98 -0.01 0.00 0.02 0.00 0.00 35.03 34.53 1x9l n LYS 144 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1x9l n ASN 145 N -0.95 -5.55 -2.10 3.14 4.13 -1.26 -4.49 115.26 108.19 1x9l n ASN 145 Ca 0.00 1.19 -0.00 0.00 1.68 0.00 0.00 54.58 57.45 1x9l n ASN 145 Cb 0.00 -3.92 0.00 0.00 -1.54 0.00 0.00 39.78 34.32 1x9l n ASN 145 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 1x9l n ILE 146 N 1.24 -4.63 -1.92 2.41 5.41 -1.26 -5.03 119.36 115.58 1x9l n ILE 146 Ca -0.08 -0.06 0.04 0.00 1.00 0.00 0.00 62.75 63.65 1x9l n ILE 146 Cb 0.12 -4.87 0.14 0.00 -0.71 0.00 0.00 39.64 34.32 1x9l n ILE 146 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 176.55 174.71 1x9l n GLU 147 N -1.23 1.20 -0.01 0.38 0.00 -1.26 -4.76 120.64 114.97 1x9l n GLU 147 Ca 0.00 -2.96 -0.13 0.00 0.00 0.00 0.00 57.16 54.08 1x9l n GLU 147 Cb 0.47 -1.16 -0.09 0.00 0.00 0.00 0.00 31.44 30.67 1x9l n GLU 147 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.13 177.91 1x9l h GLY 148 N 1.09 0.04 0.00 -1.84 0.00 -2.00 -3.42 103.07 96.94 1x9l h GLY 148 Ca -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1x9l h GLY 148 CO 0.07 0.03 0.00 0.54 0.00 0.00 0.00 176.54 177.18