#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x9l n GLY 2 N 0.00 -2.62 3.76 3.03 0.00 -1.26 -5.14 105.19 102.97 1x9l n GLY 2 Ca 0.00 -1.36 -0.02 0.00 0.00 0.00 0.00 46.02 44.64 1x9l n GLY 2 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1x9l s HIS 3 N -3.67 -0.06 0.37 1.61 5.65 -1.26 -5.20 115.29 112.73 1x9l s HIS 3 Ca 0.00 -0.22 -0.16 0.00 0.25 0.00 0.00 55.06 54.93 1x9l s HIS 3 Cb 0.00 0.64 0.06 0.00 -1.18 0.00 0.00 32.58 32.09 1x9l s HIS 3 CO 0.00 -0.74 0.82 -0.08 -0.65 0.00 0.00 174.74 174.09 1x9l s THR 4 N -2.84 0.00 -0.41 0.89 -1.32 -1.26 -5.12 115.64 105.58 1x9l s THR 4 Ca 0.15 -0.96 0.00 0.00 -1.21 0.00 0.00 61.69 59.67 1x9l s THR 4 Cb -0.00 -2.94 0.23 0.00 -1.51 0.00 0.00 72.50 68.28 1x9l s THR 4 CO 0.02 0.00 1.01 0.23 -2.21 0.00 0.00 174.62 173.67 1x9l n MET 5 N -0.55 0.36 -1.78 7.08 0.00 -1.26 -5.16 117.12 115.80 1x9l n MET 5 Ca -0.08 -1.24 -0.33 0.00 0.00 0.00 0.00 57.70 56.05 1x9l n MET 5 Cb 0.60 -0.68 0.04 0.00 0.00 0.00 0.00 33.22 33.18 1x9l n MET 5 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1x9l s PRO 6 N 0.65 2.83 0.25 0.03 0.04 -1.26 -5.06 135.00 132.47 1x9l s PRO 6 Ca 0.28 1.39 -0.22 0.00 0.04 0.00 0.00 61.00 62.49 1x9l s PRO 6 Cb 0.15 -1.95 0.04 0.00 0.04 0.00 0.00 34.50 32.77 1x9l s PRO 6 CO -0.12 -1.23 0.80 0.00 0.04 0.00 0.00 177.00 176.49 1x9l s ALA 7 N -2.32 -1.33 0.24 8.56 0.00 -1.26 -5.19 121.76 120.46 1x9l s ALA 7 Ca 0.67 -0.21 -0.20 0.00 0.00 0.00 0.00 51.96 52.23 1x9l s ALA 7 Cb -0.21 0.78 0.03 0.00 0.00 0.00 0.00 23.12 23.72 1x9l s ALA 7 CO 0.41 -1.04 0.64 -1.58 0.00 0.00 0.00 175.76 174.19 1x9l s HIS 8 N -3.62 -0.16 -0.47 0.00 2.46 -1.26 -5.12 115.29 107.11 1x9l s HIS 8 Ca 0.12 -0.23 0.06 0.00 0.47 0.00 0.00 55.06 55.48 1x9l s HIS 8 Cb -0.05 0.57 0.25 0.00 -0.13 0.00 0.00 32.58 33.22 1x9l s HIS 8 CO 0.06 -1.10 0.86 -2.37 -2.47 0.00 0.00 174.74 169.72 1x9l n THR 9 N -0.42 -0.09 -1.90 0.89 5.66 -1.26 -5.16 114.28 112.00 1x9l n THR 9 Ca -0.07 -1.86 -0.35 0.00 -3.05 0.00 0.00 64.05 58.73 1x9l n THR 9 Cb 0.61 1.04 0.04 0.00 -1.55 0.00 0.00 70.33 70.47 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 0.39 2.86 1.04 1.09 0.04 -1.26 -5.03 135.00 134.13 1x9l s PRO 10 Ca 0.32 1.70 -0.16 0.00 0.04 0.00 0.00 61.00 62.89 1x9l s PRO 10 Cb 0.23 -1.93 0.22 0.00 0.04 0.00 0.00 34.50 33.06 1x9l s PRO 10 CO -0.21 -1.27 1.20 -1.25 0.04 0.00 0.00 177.00 175.51 1x9l s PRO 11 N -3.57 0.03 0.14 0.56 0.04 -1.26 -5.11 135.00 125.83 1x9l s PRO 11 Ca 0.74 -0.12 -0.06 0.00 0.04 0.00 0.00 61.00 61.61 1x9l s PRO 11 Cb -0.27 -1.75 -0.02 0.00 0.04 0.00 0.00 34.50 32.50 1x9l s PRO 11 CO 0.36 -2.87 0.18 0.00 0.04 0.00 0.00 177.00 174.70 1x9l s ALA 12 N -3.41 0.34 0.18 8.56 0.00 -1.26 -5.19 121.76 120.99 1x9l s ALA 12 Ca 0.70 -1.11 -0.23 0.00 0.00 0.00 0.00 51.96 51.32 1x9l s ALA 12 Cb -0.09 0.82 0.06 0.00 0.00 0.00 0.00 23.12 23.91 1x9l s ALA 12 CO 0.54 -0.57 0.69 -1.14 0.00 0.00 0.00 175.76 175.29 1x9l s GLN 13 N -3.99 1.40 0.20 0.00 0.74 -1.26 -5.19 119.66 111.56 1x9l s GLN 13 Ca 0.19 -0.64 -0.06 0.00 0.05 0.00 0.00 55.36 54.90 1x9l s GLN 13 Cb 0.05 0.56 0.02 0.00 1.10 0.00 0.00 33.01 34.75 1x9l s GLN 13 CO -0.00 -0.63 0.37 -2.37 -0.55 0.00 0.00 175.29 172.11 1x9l n THR 14 N -0.40 0.00 -3.10 -0.34 5.66 -1.26 -5.15 114.28 109.69 1x9l n THR 14 Ca -0.11 -0.67 -0.02 0.00 -3.05 0.00 0.00 64.05 60.20 1x9l n THR 14 Cb 0.62 0.55 -0.01 0.00 -1.55 0.00 0.00 70.33 69.94 1x9l n THR 14 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x9l s ALA 15 N -1.79 -2.13 0.78 1.79 0.00 -1.26 -5.16 121.76 113.98 1x9l s ALA 15 Ca 0.11 -0.07 -0.11 0.00 0.00 0.00 0.00 51.96 51.89 1x9l s ALA 15 Cb -0.02 -2.68 0.06 0.00 0.00 0.00 0.00 23.12 20.48 1x9l s ALA 15 CO 0.08 -2.22 1.08 -1.25 0.00 0.00 0.00 175.76 173.46 1x9l s PRO 16 N 1.53 2.23 0.30 0.00 0.04 -1.26 -5.08 135.00 132.75 1x9l s PRO 16 Ca 0.20 0.83 -0.20 0.00 0.04 0.00 0.00 61.00 61.87 1x9l s PRO 16 Cb -0.03 -1.92 0.03 0.00 0.04 0.00 0.00 34.50 32.61 1x9l s PRO 16 CO -0.06 -1.57 0.74 0.00 0.04 0.00 0.00 177.00 176.15 1x9l s ALA 17 N -3.06 -1.13 0.23 8.56 0.00 -1.26 -5.20 121.76 119.91 1x9l s ALA 17 Ca 0.60 -0.40 -0.21 0.00 0.00 0.00 0.00 51.96 51.96 1x9l s ALA 17 Cb -0.15 0.81 0.04 0.00 0.00 0.00 0.00 23.12 23.81 1x9l s ALA 17 CO 0.55 -1.03 0.64 0.00 0.00 0.00 0.00 175.76 175.92 1x9l s ALA 18 N -3.55 -1.24 1.01 0.00 0.00 -1.26 -5.18 121.76 111.54 1x9l s ALA 18 Ca 0.12 -0.08 -0.05 0.00 0.00 0.00 0.00 51.96 51.95 1x9l s ALA 18 Cb -0.06 0.87 0.06 0.00 0.00 0.00 0.00 23.12 24.00 1x9l s ALA 18 CO 0.08 -0.91 0.34 0.00 0.00 0.00 0.00 175.76 175.27 1x9l n GLN 19 N -0.41 -0.54 -3.90 0.00 10.64 -1.26 -5.13 117.38 116.77 1x9l n GLN 19 Ca -0.09 -0.52 -0.09 0.00 -1.83 0.00 0.00 57.00 54.47 1x9l n GLN 19 Cb 0.62 -0.37 -0.01 0.00 -0.86 0.00 0.00 30.24 29.61 1x9l n GLN 19 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.06 173.64 1x9l s LYS 20 N -3.74 1.92 4.58 2.61 -2.85 -1.26 -5.13 119.74 115.87 1x9l s LYS 20 Ca 0.19 -1.32 0.00 0.00 -1.00 0.00 0.00 55.97 53.84 1x9l s LYS 20 Cb -0.01 0.56 0.00 0.00 -2.06 0.00 0.00 37.83 36.32 1x9l s LYS 20 CO 0.14 -0.86 0.00 0.00 0.10 0.00 0.00 175.35 174.73 1x9l n ALA 21 N -0.49 0.00 0.00 0.59 0.00 -1.26 -4.89 120.51 114.47 1x9l n ALA 21 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1x9l n ALA 21 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1x9l n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x9l n GLY 22 N 0.00 1.30 3.55 0.00 0.00 -1.26 -4.83 105.19 103.96 1x9l n GLY 22 Ca 0.00 -0.02 -0.33 0.00 0.00 0.00 0.00 46.02 45.67 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 1.81 -1.03 4.61 0.00 -1.26 -4.88 121.76 121.02 1x9l s ALA 23 Ca 0.00 -0.67 -0.22 0.00 0.00 0.00 0.00 51.96 51.07 1x9l s ALA 23 Cb 0.00 -4.39 -0.10 0.00 0.00 0.00 0.00 23.12 18.63 1x9l s ALA 23 CO 0.00 -4.39 1.93 1.04 0.00 0.00 0.00 175.76 174.34 1x9l n GLN 24 N 9.05 1.73 -3.88 0.00 6.02 -1.26 -4.75 117.38 124.29 1x9l n GLN 24 Ca 0.30 -2.27 -0.08 0.00 -0.01 0.00 0.00 57.00 54.94 1x9l n GLN 24 Cb 0.51 -3.35 -0.01 0.00 1.02 0.00 0.00 30.24 28.41 1x9l n GLN 24 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1x9l s ALA 25 N 7.66 -0.84 -0.06 -1.58 0.00 -1.26 -5.11 121.76 120.57 1x9l s ALA 25 Ca 0.62 -0.58 -0.03 0.00 0.00 0.00 0.00 51.96 51.97 1x9l s ALA 25 Cb 0.07 0.85 0.04 0.00 0.00 0.00 0.00 23.12 24.08 1x9l s ALA 25 CO 0.12 -0.98 0.14 -1.17 0.00 0.00 0.00 175.76 173.86 1x9l s LEU 26 N -2.99 0.65 1.00 0.00 0.20 -0.13 -5.02 118.68 112.39 1x9l s LEU 26 Ca 0.15 0.29 -0.16 0.00 0.69 0.00 0.00 54.13 55.09 1x9l s LEU 26 Cb -0.05 0.32 0.21 0.00 -0.43 0.00 0.00 46.19 46.25 1x9l s LEU 26 CO 0.09 -0.16 1.27 -2.16 -0.29 0.00 0.00 176.35 175.10 1x9l s PRO 27 N 1.30 0.33 -1.54 0.98 0.04 -1.26 -1.12 135.00 133.72 1x9l s PRO 27 Ca -0.08 -0.31 -0.09 0.00 0.04 0.00 0.00 61.00 60.56 1x9l s PRO 27 Cb -0.12 -1.80 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 1x9l s PRO 27 CO -0.06 -2.64 2.75 1.55 0.04 0.00 0.00 177.00 178.64 1x9l n VAL 28 N -3.95 4.43 -2.81 -0.36 3.14 -1.26 -4.41 118.33 113.11 1x9l n VAL 28 Ca 0.14 -3.02 -0.08 0.00 -2.96 0.00 0.00 64.34 58.42 1x9l n VAL 28 Cb 0.59 -2.50 0.02 0.00 -1.06 0.00 0.00 33.84 30.89 1x9l n VAL 28 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 1x9l n THR 29 N 3.35 -0.09 -2.83 1.55 5.66 -1.26 -4.59 114.28 116.06 1x9l n THR 29 Ca 0.72 -1.50 -0.12 0.00 -3.05 0.00 0.00 64.05 60.10 1x9l n THR 29 Cb 0.25 0.96 0.02 0.00 -1.55 0.00 0.00 70.33 70.01 1x9l n THR 29 CO 0.00 0.00 0.00 0.55 -3.05 0.00 0.00 175.07 172.57 1x9l n VAL 30 N 2.25 0.56 -3.71 1.08 3.14 -1.26 -5.05 118.33 115.34 1x9l n VAL 30 Ca 0.15 -3.46 -0.13 0.00 -2.96 0.00 0.00 64.34 57.94 1x9l n VAL 30 Cb 0.59 0.40 -0.10 0.00 -1.06 0.00 0.00 33.84 33.67 1x9l n VAL 30 CO 0.00 0.00 0.00 -1.58 -6.46 0.00 0.00 176.83 168.79 1x9l s GLN 31 N -2.71 0.52 0.43 1.45 2.00 -1.26 -4.91 119.66 115.18 1x9l s GLN 31 Ca 0.31 0.65 -0.23 0.00 -2.00 0.00 0.00 55.36 54.10 1x9l s GLN 31 Cb 0.42 0.24 -0.09 0.00 0.80 0.00 0.00 33.01 34.38 1x9l s GLN 31 CO -0.00 -0.07 1.03 0.20 -0.50 0.00 0.00 175.29 175.95 1x9l s GLY 32 N 0.35 2.63 0.48 2.59 0.00 -1.26 -4.88 107.32 107.22 1x9l s GLY 32 Ca -0.01 0.64 -0.18 0.00 0.00 0.00 0.00 44.72 45.16 1x9l s GLY 32 CO -0.01 1.02 0.97 0.00 0.00 0.00 0.00 173.10 175.08 1x9l s ALA 33 N -1.81 3.06 -0.06 3.20 0.00 0.14 -4.82 121.76 121.47 1x9l s ALA 33 Ca 0.61 0.27 0.00 0.00 0.00 0.00 0.00 51.96 52.84 1x9l s ALA 33 Cb -0.19 -3.12 0.02 0.00 0.00 0.00 0.00 23.12 19.83 1x9l s ALA 33 CO 0.24 -0.07 -0.04 0.95 0.00 0.00 0.00 175.76 176.83 1x9l s THR 34 N -2.43 0.62 -0.07 0.00 -4.23 -1.21 -1.08 115.64 107.24 1x9l s THR 34 Ca 0.60 -0.12 0.02 0.00 -1.18 0.00 0.00 61.69 61.02 1x9l s THR 34 Cb -0.10 -0.67 -0.02 0.00 1.34 0.00 0.00 72.50 73.05 1x9l s THR 34 CO 0.23 0.27 -0.13 0.54 -0.54 0.00 0.00 174.62 174.99 1x9l s VAL 35 N 1.28 3.17 -0.68 2.29 0.11 0.41 -0.49 120.40 126.50 1x9l s VAL 35 Ca -0.05 -0.67 -0.26 0.00 -2.93 0.00 0.00 61.98 58.07 1x9l s VAL 35 Cb -0.14 -2.27 -0.01 0.00 -1.53 0.00 0.00 36.38 32.43 1x9l s VAL 35 CO -0.02 0.58 1.72 0.00 -3.33 0.00 0.00 175.10 174.05 1x9l s ALA 36 N -0.51 2.28 -0.33 1.54 0.00 -0.59 0.08 121.76 124.23 1x9l s ALA 36 Ca 0.07 -0.93 -0.38 0.00 0.00 0.00 0.00 51.96 50.72 1x9l s ALA 36 Cb -0.12 -4.32 -0.14 0.00 0.00 0.00 0.00 23.12 18.54 1x9l s ALA 36 CO 0.02 -3.82 2.00 0.00 0.00 0.00 0.00 175.76 173.95 1x9l n ALA 37 N 11.96 0.49 -0.04 0.00 0.00 -1.25 -4.03 120.51 127.65 1x9l n ALA 37 Ca 0.18 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1x9l n ALA 37 Cb 0.51 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.59 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 6.04 0.00 -1.20 0.00 0.31 -1.26 -3.91 118.33 118.31 1x9l n VAL 38 Ca 0.36 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.41 1x9l n VAL 38 Cb 0.16 0.00 0.17 0.00 -0.91 0.00 0.00 33.84 33.26 1x9l n VAL 38 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1x9l s PRO 39 N 0.00 0.52 -1.12 5.55 0.04 -1.26 -4.87 135.00 133.87 1x9l s PRO 39 Ca 0.00 0.52 -0.07 0.00 0.04 0.00 0.00 61.00 61.49 1x9l s PRO 39 Cb 0.00 -1.75 -0.06 0.00 0.04 0.00 0.00 34.50 32.73 1x9l s PRO 39 CO 0.00 -2.67 2.35 -0.35 0.04 0.00 0.00 177.00 176.37 1x9l n PRO 40 N -4.13 2.54 -2.66 0.56 -0.04 -1.26 -3.69 135.00 126.32 1x9l n PRO 40 Ca 0.05 -1.67 -0.02 0.00 -0.04 0.00 0.00 63.50 61.82 1x9l n PRO 40 Cb 0.57 -2.56 0.13 0.00 -0.04 0.00 0.00 33.50 31.61 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 4.06 -1.48 -0.76 3.54 2.88 -1.26 -5.00 113.62 115.60 1x9l n SER 41 Ca 0.54 -2.22 0.10 0.00 -1.33 0.00 0.00 58.87 55.96 1x9l n SER 41 Cb 0.16 0.70 -0.02 0.00 -0.75 0.00 0.00 64.21 64.30 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 -1.49 0.00 0.07 2.46 2.08 -1.24 -4.03 119.36 117.21 1x9l n ILE 42 Ca -0.17 0.00 0.18 0.00 0.56 0.00 0.00 62.75 63.32 1x9l n ILE 42 Cb 0.88 -0.24 0.71 0.00 -0.75 0.00 0.00 39.64 40.23 1x9l n ILE 42 CO 0.00 0.00 0.00 0.08 0.56 0.00 0.00 176.55 177.19 1x9l h ARG 43 N 0.00 0.00 -6.27 0.38 0.11 -1.92 -3.38 114.38 103.30 1x9l h ARG 43 Ca 0.01 0.00 -0.66 0.00 0.10 0.00 0.00 59.98 59.44 1x9l h ARG 43 Cb 0.66 0.00 0.09 0.00 1.11 0.00 0.00 29.97 31.82 1x9l h ARG 43 CO 0.00 0.00 0.09 -0.25 0.10 0.00 0.00 179.97 179.91 1x9l n ASP 44 N -4.27 0.76 -1.22 0.08 9.92 -1.26 -3.96 116.55 116.59 1x9l n ASP 44 Ca 0.07 1.15 -0.01 0.00 -0.53 0.00 0.00 54.79 55.47 1x9l n ASP 44 Cb 0.50 -1.15 0.00 0.00 -0.64 0.00 0.00 41.12 39.83 1x9l n ASP 44 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1x9l n THR 45 N 1.02 0.00 -3.82 -3.53 5.66 -1.26 -4.57 114.28 107.77 1x9l n THR 45 Ca 0.15 -0.12 -0.09 0.00 -3.05 0.00 0.00 64.05 60.95 1x9l n THR 45 Cb 0.24 0.12 -0.03 0.00 -1.55 0.00 0.00 70.33 69.11 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 -1.13 -0.89 0.13 1.79 0.00 -1.26 -3.39 121.76 117.01 1x9l s ALA 46 Ca 0.02 -0.38 0.04 0.00 0.00 0.00 0.00 51.96 51.65 1x9l s ALA 46 Cb -0.01 0.90 -0.04 0.00 0.00 0.00 0.00 23.12 23.98 1x9l s ALA 46 CO 0.01 -0.89 0.11 0.00 0.00 0.00 0.00 175.76 175.00 1x9l s ALA 47 N -3.92 3.56 -0.15 0.00 0.00 -0.08 -1.55 121.76 119.63 1x9l s ALA 47 Ca 0.13 -1.14 -0.04 0.00 0.00 0.00 0.00 51.96 50.91 1x9l s ALA 47 Cb -0.02 -1.39 0.05 0.00 0.00 0.00 0.00 23.12 21.76 1x9l s ALA 47 CO 0.03 0.59 0.07 0.71 0.00 0.00 0.00 175.76 177.16 1x9l s TYR 48 N -1.62 0.38 0.07 0.00 2.02 0.35 -3.98 117.35 114.58 1x9l s TYR 48 Ca 0.30 -0.33 -0.03 0.00 -0.37 0.00 0.00 57.07 56.64 1x9l s TYR 48 Cb -0.11 -0.74 0.01 0.00 -0.40 0.00 0.00 41.96 40.73 1x9l s TYR 48 CO 0.23 -0.47 0.17 0.00 -1.57 0.00 0.00 175.55 173.91 1x9l n MET 49 N 5.22 0.20 -4.44 -0.62 0.00 -0.85 -3.35 117.12 113.28 1x9l n MET 49 Ca -0.07 -0.40 -0.22 0.00 0.00 0.00 0.00 57.70 57.01 1x9l n MET 49 Cb 0.49 0.51 -0.13 0.00 0.00 0.00 0.00 33.22 34.08 1x9l n MET 49 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 1x9l s THR 50 N -2.73 1.33 -0.38 3.17 -1.32 -1.26 -0.24 115.64 114.20 1x9l s THR 50 Ca 0.04 -1.10 -0.21 0.00 -1.21 0.00 0.00 61.69 59.21 1x9l s THR 50 Cb -0.01 -1.18 0.01 0.00 -1.51 0.00 0.00 72.50 69.81 1x9l s THR 50 CO 0.02 0.07 0.67 -0.76 -2.21 0.00 0.00 174.62 172.41 1x9l s LEU 51 N -1.20 4.28 -0.67 9.08 1.02 -0.16 -4.39 118.68 126.65 1x9l s LEU 51 Ca 0.04 0.05 0.05 0.00 0.02 0.00 0.00 54.13 54.29 1x9l s LEU 51 Cb -0.08 -2.82 0.16 0.00 0.02 0.00 0.00 46.19 43.47 1x9l s LEU 51 CO 0.02 -0.68 0.45 -0.89 0.02 0.00 0.00 176.35 175.27 1x9l s THR 52 N 2.84 2.84 0.14 5.49 2.01 -1.26 -1.46 115.64 126.23 1x9l s THR 52 Ca 0.25 -4.09 -0.27 0.00 0.31 0.00 0.00 61.69 57.89 1x9l s THR 52 Cb -0.14 -2.88 -0.07 0.00 0.01 0.00 0.00 72.50 69.42 1x9l s THR 52 CO 0.17 -0.96 0.84 0.21 -0.69 0.00 0.00 174.62 174.18 1x9l s ASN 53 N -1.23 7.42 -0.44 3.53 3.84 -0.44 -4.47 114.94 123.15 1x9l s ASN 53 Ca 0.23 1.68 0.09 0.00 0.21 0.00 0.00 52.86 55.08 1x9l s ASN 53 Cb -0.09 -2.53 0.39 0.00 -0.55 0.00 0.00 41.25 38.48 1x9l s ASN 53 CO -0.13 0.09 0.96 0.29 -2.79 0.00 0.00 177.10 175.52 1x9l n LYS 54 N 2.13 2.38 -3.65 0.43 4.76 -0.28 -4.61 118.16 119.33 1x9l n LYS 54 Ca -0.03 -4.10 -0.07 0.00 -2.87 0.00 0.00 58.31 51.25 1x9l n LYS 54 Cb 0.49 -1.91 -0.07 0.00 -1.84 0.00 0.00 35.03 31.69 1x9l n LYS 54 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1x9l s SER 55 N -3.21 -0.88 -1.32 4.39 0.01 -1.12 -0.95 113.70 110.62 1x9l s SER 55 Ca 0.42 1.40 -0.10 0.00 1.31 0.00 0.00 55.95 58.98 1x9l s SER 55 Cb 0.37 1.36 -0.07 0.00 0.21 0.00 0.00 66.02 67.90 1x9l s SER 55 CO -0.10 -0.23 2.54 0.47 0.41 0.00 0.00 173.24 176.32 1x9l n ASP 56 N 4.44 6.54 -3.96 2.44 8.00 -1.26 -2.73 116.55 130.01 1x9l n ASP 56 Ca -0.20 -2.53 -0.18 0.00 0.71 0.00 0.00 54.79 52.59 1x9l n ASP 56 Cb 0.57 -1.39 -0.15 0.00 -0.02 0.00 0.00 41.12 40.12 1x9l n ASP 56 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1x9l s GLN 57 N 2.88 0.70 -0.70 -1.24 -0.21 -1.26 -4.73 119.66 115.11 1x9l s GLN 57 Ca 0.57 -0.21 -0.27 0.00 0.02 0.00 0.00 55.36 55.47 1x9l s GLN 57 Cb 0.15 -0.69 0.02 0.00 1.00 0.00 0.00 33.01 33.49 1x9l s GLN 57 CO -0.04 0.07 1.38 -1.25 -2.12 0.00 0.00 175.29 173.32 1x9l s PRO 58 N 0.24 3.12 -0.53 2.91 0.04 -1.26 -3.38 135.00 136.14 1x9l s PRO 58 Ca -0.03 -0.04 -0.05 0.00 0.04 0.00 0.00 61.00 60.91 1x9l s PRO 58 Cb -0.08 -4.20 0.14 0.00 0.04 0.00 0.00 34.50 30.40 1x9l s PRO 58 CO 0.00 -2.21 0.37 0.42 0.04 0.00 0.00 177.00 175.62 1x9l s ILE 59 N 6.26 3.85 -0.29 0.56 1.09 -1.20 -4.87 121.20 126.60 1x9l s ILE 59 Ca 0.42 -2.33 -0.27 0.00 -1.10 0.00 0.00 60.65 57.37 1x9l s ILE 59 Cb -0.09 -3.54 0.01 0.00 -1.06 0.00 0.00 42.46 37.78 1x9l s ILE 59 CO 0.17 -0.80 0.95 -1.59 -0.10 0.00 0.00 174.94 173.56 1x9l s LYS 60 N 0.71 4.08 -0.20 2.79 -2.85 -1.26 -4.45 119.74 118.57 1x9l s LYS 60 Ca 0.11 0.95 -0.21 0.00 -1.00 0.00 0.00 55.97 55.82 1x9l s LYS 60 Cb -0.22 -3.71 -0.02 0.00 -2.06 0.00 0.00 37.83 31.82 1x9l s LYS 60 CO -0.03 -0.74 0.65 -1.17 0.10 0.00 0.00 175.35 174.15 1x9l s LEU 61 N 3.26 4.14 -0.36 2.77 1.98 -1.26 -4.47 118.68 124.74 1x9l s LEU 61 Ca 0.40 0.86 0.13 0.00 -2.89 0.00 0.00 54.13 52.63 1x9l s LEU 61 Cb -0.14 -2.92 0.39 0.00 0.66 0.00 0.00 46.19 44.19 1x9l s LEU 61 CO 0.12 -0.29 0.90 0.55 -1.89 0.00 0.00 176.35 175.74 1x9l n VAL 62 N 4.71 0.29 -3.54 1.68 3.14 -1.26 -4.62 118.33 118.72 1x9l n VAL 62 Ca -0.01 -3.48 -0.17 0.00 -2.96 0.00 0.00 64.34 57.73 1x9l n VAL 62 Cb 0.50 0.35 -0.06 0.00 -1.06 0.00 0.00 33.84 33.57 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 -2.47 -0.54 -0.49 7.55 0.00 -1.26 -4.54 107.32 105.57 1x9l s GLY 63 Ca 0.32 1.51 0.06 0.00 0.00 0.00 0.00 44.72 46.62 1x9l s GLY 63 CO -0.03 1.09 0.74 0.00 0.00 0.00 0.00 173.10 174.90 1x9l n ALA 64 N 1.16 -1.04 -2.88 3.20 0.00 -1.26 -4.36 120.51 115.33 1x9l n ALA 64 Ca -0.17 -1.49 -0.24 0.00 0.00 0.00 0.00 53.44 51.54 1x9l n ALA 64 Cb 0.57 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.66 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 0.61 3.89 -0.26 0.00 0.00 0.44 -4.72 121.76 121.71 1x9l s ALA 65 Ca 0.31 -1.05 -0.27 0.00 0.00 0.00 0.00 51.96 50.96 1x9l s ALA 65 Cb 0.10 -1.85 0.15 0.00 0.00 0.00 0.00 23.12 21.51 1x9l s ALA 65 CO -0.14 0.32 1.18 -0.08 0.00 0.00 0.00 175.76 177.05 1x9l s THR 66 N -1.94 0.00 -1.29 0.00 -1.32 -1.26 -0.36 115.64 109.47 1x9l s THR 66 Ca 0.36 0.00 -0.09 0.00 -1.21 0.00 0.00 61.69 60.75 1x9l s THR 66 Cb -0.10 -1.00 -0.07 0.00 -1.51 0.00 0.00 72.50 69.82 1x9l s THR 66 CO 0.30 0.00 2.52 -0.81 -2.21 0.00 0.00 174.62 174.42 1x9l n PRO 67 N 1.52 2.89 0.04 7.08 -0.04 -1.26 -3.14 135.00 142.09 1x9l n PRO 67 Ca -0.10 -1.90 0.00 0.00 -0.04 0.00 0.00 63.50 61.47 1x9l n PRO 67 Cb 0.57 -2.69 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 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 4.14 -0.62 -4.99 1.53 -0.00 -1.26 -5.03 117.00 110.78 1x9l n LEU 68 Ca 0.62 0.14 -0.20 0.00 -0.00 0.00 0.00 56.01 56.58 1x9l n LEU 68 Cb 0.20 0.93 0.02 0.00 -0.00 0.00 0.00 43.42 44.57 1x9l n LEU 68 CO 0.80 -0.39 0.24 0.00 -0.00 0.00 0.00 177.39 178.04 1x9l s ALA 69 N -2.00 4.14 0.00 1.96 0.00 -1.19 -0.90 121.76 123.78 1x9l s ALA 69 Ca 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 51.96 50.53 1x9l s ALA 69 Cb 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 23.12 21.24 1x9l s ALA 69 CO 0.00 -0.45 0.10 2.41 0.00 0.00 0.00 175.76 177.82 1x9l n THR 70 N -2.05 0.00 -2.93 0.00 -1.04 -0.14 -4.73 114.28 103.39 1x9l n THR 70 Ca 0.06 -0.14 -0.14 0.00 -2.04 0.00 0.00 64.05 61.79 1x9l n THR 70 Cb 0.59 1.56 0.00 0.00 -1.82 0.00 0.00 70.33 70.66 1x9l n THR 70 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1x9l n SER 71 N -0.06 -1.72 -4.71 8.00 7.64 0.77 -4.92 113.62 118.62 1x9l n SER 71 Ca 0.00 -3.05 -0.42 0.00 1.01 0.00 0.00 58.87 56.41 1x9l n SER 71 Cb 0.14 0.86 -0.03 0.00 -1.01 0.00 0.00 64.21 64.17 1x9l n SER 71 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1x9l s PRO 72 N -0.02 4.44 -0.02 1.43 0.04 -1.26 -1.56 135.00 138.05 1x9l s PRO 72 Ca 0.33 1.68 -0.00 0.00 0.04 0.00 0.00 61.00 63.05 1x9l s PRO 72 Cb 0.20 -3.42 0.03 0.00 0.04 0.00 0.00 34.50 31.35 1x9l s PRO 72 CO -0.19 -0.26 0.03 -1.64 0.04 0.00 0.00 177.00 174.98 1x9l s MET 73 N 1.31 0.01 0.10 4.56 -1.94 0.31 -4.94 119.30 118.70 1x9l s MET 73 Ca 0.57 0.19 -0.25 0.00 -1.71 0.00 0.00 55.69 54.49 1x9l s MET 73 Cb -0.27 -0.32 -0.06 0.00 2.01 0.00 0.00 34.83 36.19 1x9l s MET 73 CO 0.27 -0.18 0.77 -0.51 -0.01 0.00 0.00 175.02 175.36 1x9l s LEU 74 N 1.20 4.51 0.00 -0.03 1.43 -1.25 -0.03 118.68 124.51 1x9l s LEU 74 Ca -0.07 1.53 0.07 0.00 -1.03 0.00 0.00 54.13 54.63 1x9l s LEU 74 Cb -0.13 -3.26 0.07 0.00 0.03 0.00 0.00 46.19 42.90 1x9l s LEU 74 CO -0.03 0.10 0.60 0.80 0.23 0.00 0.00 176.35 178.04 1x9l n MET 75 N 2.29 0.66 -3.17 1.70 1.56 0.37 -0.70 117.12 119.83 1x9l n MET 75 Ca -0.04 -3.16 0.02 0.00 -0.27 0.00 0.00 57.70 54.25 1x9l n MET 75 Cb 0.50 0.05 -0.01 0.00 2.15 0.00 0.00 33.22 35.90 1x9l n MET 75 CO 0.00 0.00 0.00 -0.08 -0.73 0.00 0.00 175.97 175.16 1x9l s THR 76 N -2.55 -0.95 -0.40 1.12 -1.32 -1.24 -4.10 115.64 106.20 1x9l s THR 76 Ca 0.45 -0.04 0.10 0.00 -1.21 0.00 0.00 61.69 61.00 1x9l s THR 76 Cb -0.04 -1.00 0.36 0.00 -1.51 0.00 0.00 72.50 70.32 1x9l s THR 76 CO 0.29 -0.04 1.00 1.07 -2.21 0.00 0.00 174.62 174.73 1x9l n THR 77 N 5.41 0.10 -4.55 5.08 5.66 -0.59 -0.65 114.28 124.74 1x9l n THR 77 Ca 0.04 -2.81 -0.25 0.00 -3.05 0.00 0.00 64.05 57.98 1x9l n THR 77 Cb 0.53 0.69 -0.14 0.00 -1.55 0.00 0.00 70.33 69.86 1x9l n THR 77 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 1x9l s THR 78 N -1.21 1.71 -0.72 1.09 -1.32 -0.16 -3.27 115.64 111.76 1x9l s THR 78 Ca 0.29 -1.31 -0.01 0.00 -1.21 0.00 0.00 61.69 59.44 1x9l s THR 78 Cb 0.36 -1.51 0.40 0.00 -1.51 0.00 0.00 72.50 70.24 1x9l s THR 78 CO -0.05 0.14 1.96 1.41 -2.21 0.00 0.00 174.62 175.86 1x9l n HIS 79 N 1.62 3.11 0.05 9.09 8.25 -1.26 -2.82 115.22 133.26 1x9l n HIS 79 Ca -0.18 -2.68 0.00 0.00 -0.26 0.00 0.00 57.72 54.60 1x9l n HIS 79 Cb 0.53 -1.23 0.00 0.00 1.12 0.00 0.00 29.99 30.41 1x9l n HIS 79 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1x9l n SER 80 N -0.72 -0.93 0.00 0.41 2.88 -1.26 -5.12 113.62 108.88 1x9l n SER 80 Ca 0.57 0.23 0.00 0.00 -1.33 0.00 0.00 58.87 58.34 1x9l n SER 80 Cb 0.48 1.18 0.00 0.00 -0.75 0.00 0.00 64.21 65.12 1x9l n SER 80 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x9l n GLY 81 N -1.40 1.55 0.00 0.46 0.00 -1.26 -5.06 105.19 99.48 1x9l n GLY 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1x9l n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x9l n GLY 82 N 5.00 -0.98 3.82 -0.02 0.00 -1.26 -5.03 105.19 106.72 1x9l n GLY 82 Ca 0.00 -1.19 -0.30 0.00 0.00 0.00 0.00 46.02 44.52 1x9l n GLY 82 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1x9l s MET 83 N 0.00 2.54 -0.57 1.61 0.00 -1.26 -4.61 119.30 117.01 1x9l s MET 83 Ca 0.00 0.73 0.03 0.00 0.00 0.00 0.00 55.69 56.45 1x9l s MET 83 Cb 0.00 -1.96 0.40 0.00 0.00 0.00 0.00 34.83 33.27 1x9l s MET 83 CO 0.00 -1.32 1.40 0.00 0.00 0.00 0.00 175.02 175.10 1x9l n ALA 84 N -3.25 5.54 -3.40 4.11 0.00 -1.13 -0.99 120.51 121.39 1x9l n ALA 84 Ca 0.07 -4.26 -0.20 0.00 0.00 0.00 0.00 53.44 49.05 1x9l n ALA 84 Cb 0.55 -1.01 -0.09 0.00 0.00 0.00 0.00 19.45 18.90 1x9l n ALA 84 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1x9l s GLY 85 N -2.75 0.18 -0.99 0.00 0.00 0.18 -4.81 107.32 99.13 1x9l s GLY 85 Ca 0.49 -1.08 -0.25 0.00 0.00 0.00 0.00 44.72 43.88 1x9l s GLY 85 CO -0.26 2.54 2.12 -0.29 0.00 0.00 0.00 173.10 177.22 1x9l s MET 86 N 1.53 1.83 0.10 2.90 1.75 -1.23 -4.35 119.30 121.83 1x9l s MET 86 Ca 0.16 -0.31 0.03 0.00 -1.25 0.00 0.00 55.69 54.32 1x9l s MET 86 Cb -0.17 -5.00 -0.04 0.00 2.84 0.00 0.00 34.83 32.46 1x9l s MET 86 CO -0.09 -4.50 -0.09 -1.59 -0.65 0.00 0.00 175.02 168.10 1x9l s LYS 87 N 7.88 0.87 0.30 4.11 -2.85 -1.26 -5.02 119.74 123.76 1x9l s LYS 87 Ca 0.79 -1.22 -0.26 0.00 -1.00 0.00 0.00 55.97 54.28 1x9l s LYS 87 Cb -0.07 -0.49 -0.10 0.00 -2.06 0.00 0.00 37.83 35.12 1x9l s LYS 87 CO 0.11 0.06 0.93 -1.64 0.10 0.00 0.00 175.35 174.91 1x9l s MET 88 N -3.07 4.62 0.14 1.78 -1.94 -1.26 -3.71 119.30 115.85 1x9l s MET 88 Ca 0.08 1.33 -0.03 0.00 -1.71 0.00 0.00 55.69 55.36 1x9l s MET 88 Cb -0.01 -2.90 -0.03 0.00 2.01 0.00 0.00 34.83 33.90 1x9l s MET 88 CO -0.01 0.34 0.11 0.14 -0.01 0.00 0.00 175.02 175.59 1x9l s VAL 89 N -1.52 0.10 0.20 -6.03 -7.23 0.12 -4.99 120.40 101.05 1x9l s VAL 89 Ca 0.48 -1.77 -0.20 0.00 -1.81 0.00 0.00 61.98 58.68 1x9l s VAL 89 Cb -0.20 -1.97 0.16 0.00 0.56 0.00 0.00 36.38 34.93 1x9l s VAL 89 CO 0.25 -0.44 1.57 1.55 -0.31 0.00 0.00 175.10 177.72 1x9l h PRO 90 N 2.79 -0.10 0.00 4.82 0.13 -1.97 -3.34 132.00 134.33 1x9l h PRO 90 Ca -0.34 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1x9l h PRO 90 Cb 1.20 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1x9l h PRO 90 CO 0.57 -0.07 0.00 -2.67 -0.23 0.00 0.00 178.00 175.60 1x9l n TRP 91 N -5.44 0.00 -3.89 1.56 -0.00 -1.26 -4.66 117.44 103.75 1x9l n TRP 91 Ca 0.06 0.00 -0.09 0.00 -0.00 0.00 0.00 57.50 57.47 1x9l n TRP 91 Cb 0.37 0.00 -0.08 0.00 -0.00 0.00 0.00 31.31 31.60 1x9l n TRP 91 CO 0.00 0.00 0.00 -0.48 -0.00 0.00 0.00 177.69 177.21 1x9l s LEU 92 N 0.00 1.56 -0.23 5.67 -0.00 -1.26 -4.91 118.68 119.51 1x9l s LEU 92 Ca 0.00 -0.61 -0.13 0.00 -0.00 0.00 0.00 54.13 53.39 1x9l s LEU 92 Cb 0.00 0.89 -0.04 0.00 -0.00 0.00 0.00 46.19 47.03 1x9l s LEU 92 CO 0.00 -0.65 0.27 -0.89 -0.00 0.00 0.00 176.35 175.08 1x9l s THR 93 N -3.44 5.28 -0.23 5.48 2.01 -1.26 -4.32 115.64 119.16 1x9l s THR 93 Ca 0.02 0.42 -0.20 0.00 0.31 0.00 0.00 61.69 62.24 1x9l s THR 93 Cb 0.03 -3.61 -0.02 0.00 0.01 0.00 0.00 72.50 68.91 1x9l s THR 93 CO -0.09 0.29 0.58 0.27 -0.69 0.00 0.00 174.62 174.99 1x9l s ILE 94 N 1.26 5.04 0.34 1.82 -5.25 -1.26 -4.87 121.20 118.26 1x9l s ILE 94 Ca 0.13 1.06 -0.23 0.00 -0.99 0.00 0.00 60.65 60.61 1x9l s ILE 94 Cb -0.14 -3.90 -0.10 0.00 2.95 0.00 0.00 42.46 41.27 1x9l s ILE 94 CO 0.06 0.09 0.91 -2.16 -1.79 0.00 0.00 174.94 172.05 1x9l s PRO 95 N 2.14 4.42 2.33 0.37 0.04 -1.26 -3.23 135.00 139.80 1x9l s PRO 95 Ca 0.25 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.48 1x9l s PRO 95 Cb -0.16 -2.63 0.00 0.00 0.04 0.00 0.00 34.50 31.76 1x9l s PRO 95 CO 0.09 0.21 0.00 0.00 0.04 0.00 0.00 177.00 177.34 1x9l n ALA 96 N 0.22 0.00 0.16 8.56 0.00 -1.22 -1.99 120.51 126.24 1x9l n ALA 96 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1x9l n ALA 96 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 1x9l n ALA 96 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 1x9l n ARG 97 N 14.00 0.28 -1.65 0.00 1.85 -1.11 -3.99 116.66 126.05 1x9l n ARG 97 Ca 0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 57.85 56.48 1x9l n ARG 97 Cb 0.00 -1.36 0.08 0.00 -1.05 0.00 0.00 32.46 30.13 1x9l n ARG 97 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1x9l n GLY 98 N 1.14 0.46 2.46 2.89 0.00 -0.84 -4.43 105.19 106.86 1x9l n GLY 98 Ca 0.00 -0.19 -0.22 0.00 0.00 0.00 0.00 46.02 45.60 1x9l n GLY 98 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1x9l n THR 99 N -2.09 1.03 -2.85 2.61 5.66 -1.25 -1.32 114.28 116.07 1x9l n THR 99 Ca 0.16 -4.91 -0.34 0.00 -3.05 0.00 0.00 64.05 55.91 1x9l n THR 99 Cb 0.48 -0.93 -0.07 0.00 -1.55 0.00 0.00 70.33 68.26 1x9l n THR 99 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1x9l s LEU 100 N -2.66 4.05 -0.22 1.09 2.96 -0.53 -4.91 118.68 118.47 1x9l s LEU 100 Ca 0.42 1.68 -0.03 0.00 -0.22 0.00 0.00 54.13 55.99 1x9l s LEU 100 Cb 0.30 -4.36 0.07 0.00 0.50 0.00 0.00 46.19 42.70 1x9l s LEU 100 CO -0.10 -0.27 0.06 -0.89 -1.32 0.00 0.00 176.35 173.83 1x9l s THR 101 N -2.02 0.43 -0.36 3.68 2.01 -1.26 -0.98 115.64 117.14 1x9l s THR 101 Ca 0.58 -0.65 -0.29 0.00 0.31 0.00 0.00 61.69 61.64 1x9l s THR 101 Cb -0.11 -1.06 0.02 0.00 0.01 0.00 0.00 72.50 71.36 1x9l s THR 101 CO 0.16 -0.34 1.14 -0.76 -0.69 0.00 0.00 174.62 174.13 1x9l s LEU 102 N 1.89 3.84 0.15 4.42 1.02 0.66 -4.71 118.68 125.94 1x9l s LEU 102 Ca 0.02 0.91 0.05 0.00 0.02 0.00 0.00 54.13 55.13 1x9l s LEU 102 Cb -0.17 -3.54 -0.04 0.00 0.02 0.00 0.00 46.19 42.45 1x9l s LEU 102 CO -0.14 -1.03 -0.10 -1.10 0.02 0.00 0.00 176.35 174.01 1x9l s GLN 103 N 3.98 1.06 0.02 1.70 -0.21 0.29 -2.01 119.66 124.48 1x9l s GLN 103 Ca 0.48 -1.44 -0.04 0.00 0.02 0.00 0.00 55.36 54.39 1x9l s GLN 103 Cb -0.12 -0.63 -0.01 0.00 1.00 0.00 0.00 33.01 33.26 1x9l s GLN 103 CO 0.21 0.08 0.31 0.54 -2.12 0.00 0.00 175.29 174.32 1x9l n ARG 104 N -0.16 -0.05 -3.80 2.91 5.12 -1.26 0.03 116.66 119.45 1x9l n ARG 104 Ca -0.10 0.31 -0.28 0.00 -1.93 0.00 0.00 57.85 55.85 1x9l n ARG 104 Cb 0.60 -0.46 -0.12 0.00 -1.16 0.00 0.00 32.46 31.33 1x9l n ARG 104 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1x9l s ASP 105 N -4.01 4.14 -0.41 0.55 -1.08 -1.26 -4.99 116.67 109.60 1x9l s ASP 105 Ca -0.01 -3.66 0.03 0.00 -0.52 0.00 0.00 52.55 48.38 1x9l s ASP 105 Cb 0.01 -1.39 0.19 0.00 -1.46 0.00 0.00 42.92 40.27 1x9l s ASP 105 CO 0.07 -0.11 0.78 -0.83 0.52 0.00 0.00 175.17 175.61 1x9l s GLY 106 N -1.10 -1.39 -0.65 2.66 0.00 0.11 -4.87 107.32 102.07 1x9l s GLY 106 Ca 0.26 0.33 -0.18 0.00 0.00 0.00 0.00 44.72 45.13 1x9l s GLY 106 CO -0.16 3.86 0.63 1.34 0.00 0.00 0.00 173.10 178.77 1x9l n ASP 107 N 3.76 -5.23 -4.29 1.64 2.03 -1.20 -0.55 116.55 112.71 1x9l n ASP 107 Ca 0.11 -0.57 -0.21 0.00 0.52 0.00 0.00 54.79 54.64 1x9l n ASP 107 Cb 0.59 -1.77 -0.10 0.00 -0.72 0.00 0.00 41.12 39.12 1x9l n ASP 107 CO 0.00 0.00 0.00 -1.38 -1.92 0.00 0.00 177.20 173.90 1x9l s HIS 108 N -2.31 1.77 -0.30 -0.67 -3.43 -1.26 -4.18 115.29 104.92 1x9l s HIS 108 Ca 0.18 -1.14 0.00 0.00 -0.80 0.00 0.00 55.06 53.30 1x9l s HIS 108 Cb -0.02 -1.11 0.06 0.00 -1.43 0.00 0.00 32.58 30.09 1x9l s HIS 108 CO 0.88 -0.21 -0.01 0.14 -2.00 0.00 0.00 174.74 173.54 1x9l s VAL 109 N -3.43 2.69 -0.81 -5.38 -7.23 -1.26 -0.48 120.40 104.51 1x9l s VAL 109 Ca 0.34 -1.61 -0.24 0.00 -1.81 0.00 0.00 61.98 58.66 1x9l s VAL 109 Cb 0.07 -2.63 0.06 0.00 0.56 0.00 0.00 36.38 34.44 1x9l s VAL 109 CO 0.15 -0.18 1.23 -0.04 -0.31 0.00 0.00 175.10 175.95 1x9l s MET 110 N 1.16 3.32 -1.45 4.82 -1.94 0.96 -0.90 119.30 125.27 1x9l s MET 110 Ca -0.04 -0.77 -0.14 0.00 -1.71 0.00 0.00 55.69 53.03 1x9l s MET 110 Cb -0.20 -4.57 0.05 0.00 2.01 0.00 0.00 34.83 32.12 1x9l s MET 110 CO -0.03 -2.04 2.20 1.28 -0.01 0.00 0.00 175.02 176.42 1x9l n LEU 111 N 8.53 6.83 -4.89 -0.03 4.77 -1.22 -0.53 117.00 130.46 1x9l n LEU 111 Ca 0.11 -4.16 -0.30 0.00 -0.03 0.00 0.00 56.01 51.63 1x9l n LEU 111 Cb 0.49 -1.65 0.05 0.00 -2.33 0.00 0.00 43.42 39.97 1x9l n LEU 111 CO 0.66 1.11 0.75 -0.32 -1.33 0.00 0.00 177.39 178.25 1x9l s MET 112 N 3.07 2.79 -0.36 3.23 1.75 -0.60 -4.37 119.30 124.81 1x9l s MET 112 Ca 0.47 0.41 -0.01 0.00 -1.25 0.00 0.00 55.69 55.31 1x9l s MET 112 Cb 0.14 -2.02 0.00 0.00 2.84 0.00 0.00 34.83 35.78 1x9l s MET 112 CO -0.08 -1.07 0.30 0.41 -0.65 0.00 0.00 175.02 173.93 1x9l n GLY 113 N -3.02 0.32 3.67 2.11 0.00 -1.26 -0.16 105.19 106.85 1x9l n GLY 113 Ca 0.07 -0.35 -0.46 0.00 0.00 0.00 0.00 46.02 45.28 1x9l n GLY 113 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1x9l n LEU 114 N -1.86 3.08 0.02 0.99 4.77 -1.25 -0.97 117.00 121.79 1x9l n LEU 114 Ca -0.05 1.09 -0.01 0.00 -0.03 0.00 0.00 56.01 57.00 1x9l n LEU 114 Cb 0.54 -1.43 -0.01 0.00 -2.33 0.00 0.00 43.42 40.19 1x9l n LEU 114 CO 0.18 -0.31 0.50 0.11 -1.33 0.00 0.00 177.39 176.54 1x9l h LYS 115 N 5.81 -0.08 0.00 3.23 6.56 -1.32 -3.47 116.57 127.30 1x9l h LYS 115 Ca -0.45 0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.15 1x9l h LYS 115 Cb 1.26 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.93 1x9l h LYS 115 CO 0.88 -0.05 0.00 0.54 -2.06 0.00 0.00 179.45 178.76 1x9l n ARG 116 N -2.58 0.00 -1.15 3.15 1.74 -1.26 -5.07 116.66 111.50 1x9l n ARG 116 Ca -0.01 0.00 -0.17 0.00 -0.77 0.00 0.00 57.85 56.90 1x9l n ARG 116 Cb 0.04 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.34 1x9l n ARG 116 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1x9l n PRO 117 N 0.00 2.14 -3.97 5.56 -0.04 -1.26 -4.87 135.00 132.56 1x9l n PRO 117 Ca 0.00 -1.41 -0.24 0.00 -0.04 0.00 0.00 63.50 61.81 1x9l n PRO 117 Cb 0.00 -2.05 -0.03 0.00 -0.04 0.00 0.00 33.50 31.38 1x9l n PRO 117 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1x9l s LEU 118 N -0.63 4.28 0.44 1.53 0.05 -1.26 -5.12 118.68 117.97 1x9l s LEU 118 Ca 0.65 0.10 0.06 0.00 0.05 0.00 0.00 54.13 54.99 1x9l s LEU 118 Cb 0.34 -2.84 -0.04 0.00 -2.05 0.00 0.00 46.19 41.59 1x9l s LEU 118 CO -0.06 0.00 0.18 -0.54 -0.55 0.00 0.00 176.35 175.38 1x9l s LYS 119 N -3.53 2.21 -0.17 1.48 3.01 -1.26 -4.98 119.74 116.49 1x9l s LYS 119 Ca 0.34 -1.94 -0.15 0.00 -1.01 0.00 0.00 55.97 53.21 1x9l s LYS 119 Cb -0.10 -1.93 -0.04 0.00 -1.01 0.00 0.00 37.83 34.75 1x9l s LYS 119 CO 0.28 -0.20 0.34 0.54 0.51 0.00 0.00 175.35 176.82 1x9l s VAL 120 N -2.66 5.26 -0.12 3.17 0.11 -1.26 -4.16 120.40 120.75 1x9l s VAL 120 Ca 0.36 0.63 -0.00 0.00 -2.93 0.00 0.00 61.98 60.04 1x9l s VAL 120 Cb 0.03 -3.68 0.00 0.00 -1.53 0.00 0.00 36.38 31.20 1x9l s VAL 120 CO 0.20 0.33 0.03 0.61 -3.33 0.00 0.00 175.10 172.94 1x9l n GLY 121 N 3.62 0.48 1.07 6.54 0.00 0.13 -4.97 105.19 112.05 1x9l n GLY 121 Ca -0.10 -0.76 -0.07 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.04 -0.05 -3.66 1.61 2.13 -1.12 -4.89 120.64 113.62 1x9l n GLU 122 Ca -0.01 -0.64 -0.07 0.00 0.66 0.00 0.00 57.16 57.10 1x9l n GLU 122 Cb 0.51 -0.30 -0.08 0.00 0.27 0.00 0.00 31.44 31.84 1x9l n GLU 122 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1x9l s THR 123 N -1.36 -0.43 0.04 6.31 2.01 -1.26 -2.72 115.64 118.23 1x9l s THR 123 Ca 0.20 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.27 1x9l s THR 123 Cb -0.01 -0.81 -0.03 0.00 0.01 0.00 0.00 72.50 71.66 1x9l s THR 123 CO 0.14 0.03 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.36 1x9l s VAL 124 N 2.16 0.26 0.14 3.82 1.01 0.22 -5.00 120.40 123.01 1x9l s VAL 124 Ca -0.07 -1.18 -0.31 0.00 0.00 0.00 0.00 61.98 60.43 1x9l s VAL 124 Cb -0.09 -0.66 -0.08 0.00 0.00 0.00 0.00 36.38 35.55 1x9l s VAL 124 CO -0.16 -0.59 1.29 0.20 0.00 0.00 0.00 175.10 175.84 1x9l s ASN 125 N -1.86 6.94 0.38 3.32 0.01 -1.26 -0.53 114.94 121.94 1x9l s ASN 125 Ca -0.09 2.27 -0.10 0.00 -0.71 0.00 0.00 52.86 54.23 1x9l s ASN 125 Cb -0.06 -2.60 -0.07 0.00 0.41 0.00 0.00 41.25 38.94 1x9l s ASN 125 CO -0.03 -0.53 0.73 -0.63 -1.51 0.00 0.00 177.10 175.14 1x9l s ILE 126 N 0.59 4.81 -0.07 0.60 1.01 0.89 -4.33 121.20 124.70 1x9l s ILE 126 Ca 0.59 0.59 0.02 0.00 0.00 0.00 0.00 60.65 61.84 1x9l s ILE 126 Cb -0.35 -3.71 0.02 0.00 0.01 0.00 0.00 42.46 38.43 1x9l s ILE 126 CO 0.34 -0.44 -0.10 -0.89 0.00 0.00 0.00 174.94 173.84 1x9l s THR 127 N -2.27 1.02 0.21 2.92 2.01 0.51 -2.41 115.64 117.62 1x9l s THR 127 Ca 0.51 -0.39 0.09 0.00 0.31 0.00 0.00 61.69 62.21 1x9l s THR 127 Cb -0.10 -0.96 -0.04 0.00 0.01 0.00 0.00 72.50 71.41 1x9l s THR 127 CO 0.29 0.33 -0.08 -1.48 -0.69 0.00 0.00 174.62 173.00 1x9l s LEU 128 N 0.86 3.01 -0.43 4.42 0.05 0.28 -0.42 118.68 126.44 1x9l s LEU 128 Ca -0.11 -0.63 0.07 0.00 0.05 0.00 0.00 54.13 53.51 1x9l s LEU 128 Cb -0.15 -1.63 0.25 0.00 -2.05 0.00 0.00 46.19 42.61 1x9l s LEU 128 CO 0.01 0.07 0.68 1.17 -0.55 0.00 0.00 176.35 177.73 1x9l n LYS 129 N -0.27 0.75 -2.68 1.48 0.00 -1.04 -0.95 118.16 115.46 1x9l n LYS 129 Ca -0.09 -2.66 -0.43 0.00 0.00 0.00 0.00 58.31 55.13 1x9l n LYS 129 Cb 0.57 -1.32 -0.02 0.00 0.00 0.00 0.00 35.03 34.26 1x9l n LYS 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1x9l s ALA 130 N -0.51 3.56 0.00 3.14 0.00 0.15 -4.23 121.76 123.88 1x9l s ALA 130 Ca 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.28 1x9l s ALA 130 Cb 0.20 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.73 1x9l s ALA 130 CO -0.16 -1.31 0.00 0.25 0.00 0.00 0.00 175.76 174.54 1x9l n THR 131 N 5.66 0.00 -2.74 0.00 -2.24 -1.26 -0.21 114.28 113.49 1x9l n THR 131 Ca 0.11 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.86 1x9l n THR 131 Cb 0.47 0.00 0.08 0.00 -2.10 0.00 0.00 70.33 68.78 1x9l n THR 131 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1x9l n ASP 132 N 3.19 0.09 0.00 3.42 8.00 -1.26 -4.92 116.55 125.07 1x9l n ASP 132 Ca 0.00 -2.25 0.00 0.00 0.71 0.00 0.00 54.79 53.25 1x9l n ASP 132 Cb 0.00 0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.20 1x9l n ASP 132 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x9l n GLY 133 N -0.84 0.00 2.70 0.44 0.00 0.71 -4.83 105.19 103.37 1x9l n GLY 133 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 1x9l n GLY 133 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x9l n ARG 134 N -2.78 2.78 -2.80 1.61 5.12 -0.87 -4.97 116.66 114.75 1x9l n ARG 134 Ca 0.00 -4.60 -0.43 0.00 -1.93 0.00 0.00 57.85 50.89 1x9l n ARG 134 Cb 0.40 -2.33 -0.04 0.00 -1.16 0.00 0.00 32.46 29.33 1x9l n ARG 134 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1x9l s THR 135 N -2.21 4.22 0.19 0.55 2.01 -1.26 -0.67 115.64 118.47 1x9l s THR 135 Ca 0.34 -0.11 -0.17 0.00 0.31 0.00 0.00 61.69 62.06 1x9l s THR 135 Cb 0.07 -4.71 0.03 0.00 0.01 0.00 0.00 72.50 67.90 1x9l s THR 135 CO -0.03 -1.48 0.51 -0.76 -0.69 0.00 0.00 174.62 172.17 1x9l s LEU 136 N 4.36 0.12 -0.47 4.42 1.43 -0.12 -4.99 118.68 123.42 1x9l s LEU 136 Ca 0.26 -0.48 0.08 0.00 -1.03 0.00 0.00 54.13 52.96 1x9l s LEU 136 Cb -0.15 2.10 0.30 0.00 0.03 0.00 0.00 46.19 48.47 1x9l s LEU 136 CO 0.13 -1.04 0.70 -0.46 0.23 0.00 0.00 176.35 175.91 1x9l n ASN 137 N -0.33 1.85 -4.82 2.29 6.94 -1.26 -0.56 115.26 119.37 1x9l n ASN 137 Ca -0.10 -3.11 -0.33 0.00 -0.02 0.00 0.00 54.58 51.01 1x9l n ASN 137 Cb 0.63 -0.63 -0.07 0.00 -2.36 0.00 0.00 39.78 37.35 1x9l n ASN 137 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1x9l s VAL 138 N -2.40 4.46 0.15 3.53 1.01 -1.01 -4.79 120.40 121.35 1x9l s VAL 138 Ca 0.40 1.37 -0.28 0.00 0.00 0.00 0.00 61.98 63.47 1x9l s VAL 138 Cb 0.24 -3.65 -0.07 0.00 0.00 0.00 0.00 36.38 32.90 1x9l s VAL 138 CO -0.09 -0.23 0.87 0.00 0.00 0.00 0.00 175.10 175.66 1x9l s ALA 139 N -2.06 3.34 -0.20 5.51 0.00 -1.26 -0.07 121.76 127.02 1x9l s ALA 139 Ca 0.58 0.48 -0.02 0.00 0.00 0.00 0.00 51.96 53.00 1x9l s ALA 139 Cb -0.10 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 19.89 1x9l s ALA 139 CO 0.15 0.13 -0.10 0.00 0.00 0.00 0.00 175.76 175.95 1x9l s ALA 140 N -0.60 2.65 0.33 0.00 0.00 0.31 -0.69 121.76 123.77 1x9l s ALA 140 Ca 0.41 -1.17 -0.18 0.00 0.00 0.00 0.00 51.96 51.02 1x9l s ALA 140 Cb -0.23 -1.51 -0.09 0.00 0.00 0.00 0.00 23.12 21.28 1x9l s ALA 140 CO 0.28 -0.37 0.81 -0.08 0.00 0.00 0.00 175.76 176.40 1x9l s THR 141 N 1.36 4.54 -0.41 0.00 -1.32 -0.24 -0.61 115.64 118.96 1x9l s THR 141 Ca 0.05 1.23 -0.03 0.00 -1.21 0.00 0.00 61.69 61.72 1x9l s THR 141 Cb -0.14 -3.69 0.11 0.00 -1.51 0.00 0.00 72.50 67.27 1x9l s THR 141 CO -0.06 -0.12 0.21 -0.69 -2.21 0.00 0.00 174.62 171.76 1x9l s VAL 142 N -1.92 3.34 -0.24 5.08 1.01 -1.10 -0.44 120.40 126.13 1x9l s VAL 142 Ca 0.54 -2.04 -0.12 0.00 0.00 0.00 0.00 61.98 60.36 1x9l s VAL 142 Cb -0.12 -3.29 0.09 0.00 0.00 0.00 0.00 36.38 33.06 1x9l s VAL 142 CO 0.17 -0.70 0.58 -1.59 0.00 0.00 0.00 175.10 173.56 1x9l s LYS 143 N 1.15 0.55 -0.59 2.72 -2.85 0.11 0.17 119.74 121.01 1x9l s LYS 143 Ca 0.08 1.13 -0.26 0.00 -1.00 0.00 0.00 55.97 55.92 1x9l s LYS 143 Cb -0.23 0.26 -0.10 0.00 -2.06 0.00 0.00 37.83 35.70 1x9l s LYS 143 CO -0.04 -0.17 2.44 0.36 0.10 0.00 0.00 175.35 178.03 1x9l n LYS 144 N 4.66 0.85 -1.81 1.78 2.85 -1.25 -3.76 118.16 121.48 1x9l n LYS 144 Ca -0.18 -0.14 -0.37 0.00 -1.05 0.00 0.00 58.31 56.57 1x9l n LYS 144 Cb 0.55 -3.28 -0.05 0.00 -0.65 0.00 0.00 35.03 31.60 1x9l n LYS 144 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1x9l n ASN 145 N 15.77 3.25 -2.38 -5.58 3.02 -1.26 -4.19 115.26 123.88 1x9l n ASN 145 Ca 0.42 -2.74 -0.04 0.00 -0.03 0.00 0.00 54.58 52.19 1x9l n ASN 145 Cb 0.48 -1.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.12 1x9l n ASN 145 CO 0.00 0.00 0.00 -0.38 -2.62 0.00 0.00 177.26 174.26 1x9l n ILE 146 N 6.76 -7.43 -3.45 2.41 5.41 -1.24 -5.04 119.36 116.78 1x9l n ILE 146 Ca 0.48 0.35 -0.18 0.00 1.00 0.00 0.00 62.75 64.40 1x9l n ILE 146 Cb 0.44 -5.95 -0.12 0.00 -0.71 0.00 0.00 39.64 33.30 1x9l n ILE 146 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 1x9l s GLU 147 N -2.30 0.25 0.00 0.38 0.41 -1.26 -4.81 118.70 111.36 1x9l s GLU 147 Ca 0.11 0.06 0.00 0.00 -0.41 0.00 0.00 54.97 54.73 1x9l s GLU 147 Cb -0.03 -0.97 0.00 0.00 -1.78 0.00 0.00 34.13 31.35 1x9l s GLU 147 CO 0.48 -0.81 0.00 0.41 -0.49 0.00 0.00 175.26 174.85 1x9l n GLY 148 N 5.31 1.68 0.00 -1.39 0.00 -1.26 -4.48 105.19 105.06 1x9l n GLY 148 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1x9l n GLY 148 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86