#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 -2.72 3.76 3.17 0.00 -1.26 -5.11 105.19 103.04 1x9l n GLY 2 Ca 0.00 -1.21 -0.02 0.00 0.00 0.00 0.00 46.02 44.80 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 -3.27 -0.05 0.31 1.61 5.65 -1.26 -5.20 115.29 113.08 1x9l s HIS 3 Ca 0.00 -0.21 0.03 0.00 0.25 0.00 0.00 55.06 55.13 1x9l s HIS 3 Cb 0.00 0.62 -0.04 0.00 -1.18 0.00 0.00 32.58 31.98 1x9l s HIS 3 CO 0.00 -0.66 0.14 0.95 -0.65 0.00 0.00 174.74 174.52 1x9l s THR 4 N -2.70 0.46 -0.00 0.89 -4.23 -1.26 -5.19 115.64 103.61 1x9l s THR 4 Ca 0.16 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.54 1x9l s THR 4 Cb 0.00 -2.54 0.02 0.00 1.34 0.00 0.00 72.50 71.32 1x9l s THR 4 CO 0.01 0.00 0.28 0.00 -0.54 0.00 0.00 174.62 174.37 1x9l s MET 5 N -3.86 0.65 1.01 3.99 0.00 -1.26 -5.18 119.30 114.67 1x9l s MET 5 Ca 0.35 -0.27 -0.17 0.00 0.00 0.00 0.00 55.69 55.60 1x9l s MET 5 Cb 0.06 0.29 0.22 0.00 0.00 0.00 0.00 34.83 35.39 1x9l s MET 5 CO 0.16 -0.18 1.29 -1.25 0.00 0.00 0.00 175.02 175.04 1x9l s PRO 6 N -1.49 0.23 0.10 3.16 0.04 -1.26 -5.13 135.00 130.66 1x9l s PRO 6 Ca -0.13 -0.37 -0.14 0.00 0.04 0.00 0.00 61.00 60.41 1x9l s PRO 6 Cb -0.05 -1.79 0.02 0.00 0.04 0.00 0.00 34.50 32.72 1x9l s PRO 6 CO 0.03 -2.69 0.33 0.00 0.04 0.00 0.00 177.00 174.71 1x9l s ALA 7 N -3.73 -0.72 0.22 8.56 0.00 -1.26 -5.19 121.76 119.64 1x9l s ALA 7 Ca 0.74 -0.17 -0.22 0.00 0.00 0.00 0.00 51.96 52.30 1x9l s ALA 7 Cb -0.05 0.57 0.06 0.00 0.00 0.00 0.00 23.12 23.71 1x9l s ALA 7 CO 0.54 -0.57 0.93 -1.58 0.00 0.00 0.00 175.76 175.08 1x9l s HIS 8 N -3.59 -0.03 0.02 0.00 5.04 -1.26 -5.19 115.29 110.28 1x9l s HIS 8 Ca 0.02 -0.39 0.00 0.00 -1.54 0.00 0.00 55.06 53.16 1x9l s HIS 8 Cb 0.02 0.70 -0.02 0.00 0.04 0.00 0.00 32.58 33.33 1x9l s HIS 8 CO -0.10 -1.03 -0.03 -0.08 -2.34 0.00 0.00 174.74 171.16 1x9l s THR 9 N -2.84 0.13 0.83 0.89 -1.32 -1.26 -5.16 115.64 106.92 1x9l s THR 9 Ca 0.16 -0.75 -0.10 0.00 -1.21 0.00 0.00 61.69 59.79 1x9l s THR 9 Cb -0.03 -0.25 0.09 0.00 -1.51 0.00 0.00 72.50 70.81 1x9l s THR 9 CO 0.05 -0.39 1.12 -2.16 -2.21 0.00 0.00 174.62 171.03 1x9l s PRO 10 N -1.18 1.74 0.39 7.08 0.04 -1.26 -5.07 135.00 136.74 1x9l s PRO 10 Ca -0.12 1.33 -0.07 0.00 0.04 0.00 0.00 61.00 62.18 1x9l s PRO 10 Cb -0.08 -1.83 0.09 0.00 0.04 0.00 0.00 34.50 32.73 1x9l s PRO 10 CO -0.01 -2.06 0.49 -0.35 0.04 0.00 0.00 177.00 175.12 1x9l n PRO 11 N -3.81 -0.75 -4.24 0.56 -0.04 -1.26 -5.13 135.00 120.32 1x9l n PRO 11 Ca 0.10 -0.77 -0.13 0.00 -0.04 0.00 0.00 63.50 62.66 1x9l n PRO 11 Cb 0.53 -0.54 -0.10 0.00 -0.04 0.00 0.00 33.50 33.34 1x9l n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x9l s ALA 12 N -3.80 1.34 0.29 0.55 0.00 -1.26 -5.18 121.76 113.69 1x9l s ALA 12 Ca 0.29 -1.65 -0.19 0.00 0.00 0.00 0.00 51.96 50.40 1x9l s ALA 12 Cb -0.01 0.81 0.02 0.00 0.00 0.00 0.00 23.12 23.94 1x9l s ALA 12 CO 0.20 -0.41 0.70 1.14 0.00 0.00 0.00 175.76 177.39 1x9l s GLN 13 N -3.99 1.82 0.38 0.00 -2.07 -1.26 -5.19 119.66 109.34 1x9l s GLN 13 Ca 0.29 -1.08 0.06 0.00 -1.82 0.00 0.00 55.36 52.80 1x9l s GLN 13 Cb 0.07 0.59 -0.02 0.00 -1.09 0.00 0.00 33.01 32.56 1x9l s GLN 13 CO 0.07 -0.83 0.20 0.25 -1.32 0.00 0.00 175.29 173.66 1x9l n THR 14 N -0.46 0.00 -4.12 3.63 -2.24 -1.26 -5.19 114.28 104.64 1x9l n THR 14 Ca -0.04 -2.42 -0.15 0.00 -2.27 0.00 0.00 64.05 59.17 1x9l n THR 14 Cb 0.59 1.00 -0.12 0.00 -2.10 0.00 0.00 70.33 69.71 1x9l n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x9l s ALA 15 N -3.21 0.71 1.02 6.98 0.00 -1.26 -5.17 121.76 120.83 1x9l s ALA 15 Ca 0.28 -0.74 -0.07 0.00 0.00 0.00 0.00 51.96 51.43 1x9l s ALA 15 Cb 0.01 -0.02 0.10 0.00 0.00 0.00 0.00 23.12 23.21 1x9l s ALA 15 CO 0.20 0.05 0.55 -0.35 0.00 0.00 0.00 175.76 176.21 1x9l n PRO 16 N 1.66 -0.77 -4.25 0.00 -0.04 -1.26 -5.13 135.00 125.20 1x9l n PRO 16 Ca -0.21 -0.85 -0.14 0.00 -0.04 0.00 0.00 63.50 62.26 1x9l n PRO 16 Cb 0.55 -0.60 -0.10 0.00 -0.04 0.00 0.00 33.50 33.31 1x9l n PRO 16 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x9l s ALA 17 N -3.83 1.44 0.26 0.55 0.00 -1.26 -5.19 121.76 113.73 1x9l s ALA 17 Ca 0.32 -1.77 -0.06 0.00 0.00 0.00 0.00 51.96 50.45 1x9l s ALA 17 Cb -0.01 1.26 -0.02 0.00 0.00 0.00 0.00 23.12 24.36 1x9l s ALA 17 CO 0.22 -0.54 0.35 0.00 0.00 0.00 0.00 175.76 175.79 1x9l s ALA 18 N -3.96 0.56 0.11 0.00 0.00 -1.26 -5.19 121.76 112.02 1x9l s ALA 18 Ca 0.38 -1.35 -0.01 0.00 0.00 0.00 0.00 51.96 50.98 1x9l s ALA 18 Cb 0.07 1.22 -0.04 0.00 0.00 0.00 0.00 23.12 24.36 1x9l s ALA 18 CO 0.14 -0.74 0.02 -0.65 0.00 0.00 0.00 175.76 174.52 1x9l s GLN 19 N -3.81 0.85 0.62 0.00 1.11 -1.26 -5.16 119.66 112.01 1x9l s GLN 19 Ca 0.31 -1.38 -0.15 0.00 0.01 0.00 0.00 55.36 54.14 1x9l s GLN 19 Cb 0.02 0.15 -0.02 0.00 -1.01 0.00 0.00 33.01 32.14 1x9l s GLN 19 CO 0.14 -0.19 1.07 0.21 0.01 0.00 0.00 175.29 176.52 1x9l s LYS 20 N -3.98 3.18 0.32 2.91 2.47 -1.26 -5.08 119.74 118.30 1x9l s LYS 20 Ca 0.19 1.21 -0.05 0.00 -1.56 0.00 0.00 55.97 55.76 1x9l s LYS 20 Cb 0.07 -2.01 0.00 0.00 -1.46 0.00 0.00 37.83 34.43 1x9l s LYS 20 CO -0.02 -0.93 0.48 0.00 0.16 0.00 0.00 175.35 175.05 1x9l s ALA 21 N -2.50 0.54 0.23 3.13 0.00 -1.26 -5.19 121.76 116.70 1x9l s ALA 21 Ca 0.63 -1.38 -0.22 0.00 0.00 0.00 0.00 51.96 51.00 1x9l s ALA 21 Cb -0.17 1.12 0.04 0.00 0.00 0.00 0.00 23.12 24.12 1x9l s ALA 21 CO 0.40 -0.80 0.72 0.20 0.00 0.00 0.00 175.76 176.28 1x9l s GLY 22 N -3.19 -0.24 0.00 0.00 0.00 -1.26 -5.13 107.32 97.50 1x9l s GLY 22 Ca 0.29 -0.04 0.00 0.00 0.00 0.00 0.00 44.72 44.97 1x9l s GLY 22 CO 0.18 -0.01 0.40 0.00 0.00 0.00 0.00 173.10 173.67 1x9l n ALA 23 N -0.44 -0.16 -2.73 3.20 0.00 -1.26 -4.72 120.51 114.41 1x9l n ALA 23 Ca -0.07 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.32 1x9l n ALA 23 Cb 0.61 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.12 1x9l n ALA 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1x9l n GLN 24 N -1.45 1.40 0.00 0.00 6.02 -1.26 -5.12 117.38 116.97 1x9l n GLN 24 Ca 0.00 -2.95 0.00 0.00 -0.01 0.00 0.00 57.00 54.04 1x9l n GLN 24 Cb 0.00 -1.05 0.00 0.00 1.02 0.00 0.00 30.24 30.21 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 -0.50 0.00 -1.64 -1.58 0.00 -1.26 -4.73 120.51 110.80 1x9l n ALA 25 Ca 0.04 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.13 1x9l n ALA 25 Cb 0.82 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.32 1x9l n ALA 25 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1x9l s LEU 26 N 0.00 3.56 0.00 0.00 -0.00 -1.26 -5.03 118.68 115.95 1x9l s LEU 26 Ca 0.00 2.32 0.00 0.00 -0.00 0.00 0.00 54.13 56.45 1x9l s LEU 26 Cb 0.00 -4.59 0.00 0.00 -0.00 0.00 0.00 46.19 41.60 1x9l s LEU 26 CO 0.00 -1.72 0.00 -0.81 -0.00 0.00 0.00 176.35 173.82 1x9l n PRO 27 N -1.91 0.00 -2.67 1.48 -0.04 -1.26 -4.90 135.00 125.69 1x9l n PRO 27 Ca 0.13 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.51 1x9l n PRO 27 Cb 0.50 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.99 1x9l n PRO 27 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 1x9l n VAL 28 N 0.00 0.99 -3.17 0.52 0.24 -1.26 -3.82 118.33 111.83 1x9l n VAL 28 Ca 0.00 -3.01 0.03 0.00 -2.04 0.00 0.00 64.34 59.31 1x9l n VAL 28 Cb 0.00 0.72 -0.01 0.00 -1.47 0.00 0.00 33.84 33.08 1x9l n VAL 28 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1x9l s THR 29 N -3.11 -0.96 -0.42 3.34 2.01 -1.19 -4.32 115.64 110.98 1x9l s THR 29 Ca 0.27 -0.02 0.07 0.00 0.31 0.00 0.00 61.69 62.33 1x9l s THR 29 Cb 0.45 -0.99 0.18 0.00 0.01 0.00 0.00 72.50 72.15 1x9l s THR 29 CO 0.03 -0.02 0.61 0.54 -0.69 0.00 0.00 174.62 175.09 1x9l s VAL 30 N 2.82 -0.90 0.03 3.82 0.11 -1.26 -4.94 120.40 120.08 1x9l s VAL 30 Ca 0.17 -0.31 -0.25 0.00 -2.93 0.00 0.00 61.98 58.66 1x9l s VAL 30 Cb -0.13 -0.10 0.06 0.00 -1.53 0.00 0.00 36.38 34.67 1x9l s VAL 30 CO -0.23 -0.09 0.57 -1.58 -3.33 0.00 0.00 175.10 170.44 1x9l s GLN 31 N 1.63 1.05 -0.51 1.54 -0.44 -1.26 -4.60 119.66 117.06 1x9l s GLN 31 Ca 0.18 -0.10 -0.26 0.00 -2.50 0.00 0.00 55.36 52.68 1x9l s GLN 31 Cb -0.05 0.48 0.03 0.00 -1.64 0.00 0.00 33.01 31.84 1x9l s GLN 31 CO -0.06 -0.37 1.00 0.20 0.50 0.00 0.00 175.29 176.56 1x9l s GLY 32 N -1.78 1.37 0.74 2.59 0.00 -1.26 -4.84 107.32 104.15 1x9l s GLY 32 Ca -0.07 -0.91 -0.15 0.00 0.00 0.00 0.00 44.72 43.58 1x9l s GLY 32 CO 0.01 2.16 1.15 0.00 0.00 0.00 0.00 173.10 176.42 1x9l n ALA 33 N 7.56 0.19 -2.73 3.20 0.00 -1.26 -4.83 120.51 122.64 1x9l n ALA 33 Ca 0.06 -0.20 -0.13 0.00 0.00 0.00 0.00 53.44 53.17 1x9l n ALA 33 Cb 0.48 -2.22 -0.11 0.00 0.00 0.00 0.00 19.45 17.60 1x9l n ALA 33 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1x9l s THR 34 N -1.83 0.60 -0.06 0.00 -4.23 -0.39 -2.37 115.64 107.35 1x9l s THR 34 Ca 0.76 -1.25 0.03 0.00 -1.18 0.00 0.00 61.69 60.05 1x9l s THR 34 Cb -0.33 -0.83 -0.02 0.00 1.34 0.00 0.00 72.50 72.65 1x9l s THR 34 CO 0.48 -0.47 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.25 1x9l s VAL 35 N -1.79 2.94 0.00 2.29 1.01 0.38 -0.49 120.40 124.73 1x9l s VAL 35 Ca -0.06 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.13 1x9l s VAL 35 Cb -0.07 -2.15 -0.19 0.00 0.00 0.00 0.00 36.38 33.97 1x9l s VAL 35 CO -0.00 0.58 3.06 0.00 0.00 0.00 0.00 175.10 178.73 1x9l n ALA 36 N 2.57 5.53 0.00 5.51 0.00 -0.16 -0.05 120.51 133.92 1x9l n ALA 36 Ca -0.17 -1.28 0.00 0.00 0.00 0.00 0.00 53.44 51.99 1x9l n ALA 36 Cb 0.52 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.99 1x9l n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x9l n ALA 37 N 2.26 0.00 -2.91 0.00 0.00 -1.26 -2.81 120.51 115.78 1x9l n ALA 37 Ca 0.30 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.37 1x9l n ALA 37 Cb 0.77 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 20.10 1x9l n ALA 37 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1x9l s VAL 38 N 0.00 4.60 0.77 0.00 1.01 -1.26 -4.71 120.40 120.81 1x9l s VAL 38 Ca 0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 61.98 61.71 1x9l s VAL 38 Cb 0.00 -3.21 0.06 0.00 0.00 0.00 0.00 36.38 33.23 1x9l s VAL 38 CO 0.00 0.25 1.13 -2.16 0.00 0.00 0.00 175.10 174.32 1x9l s PRO 39 N 1.65 2.24 -0.92 2.72 0.04 -1.13 -4.81 135.00 134.80 1x9l s PRO 39 Ca 0.06 0.15 -0.20 0.00 0.04 0.00 0.00 61.00 61.06 1x9l s PRO 39 Cb -0.16 -2.00 -0.11 0.00 0.04 0.00 0.00 34.50 32.27 1x9l s PRO 39 CO 0.06 -1.39 2.00 -0.35 0.04 0.00 0.00 177.00 177.36 1x9l n PRO 40 N -3.18 1.81 -2.49 0.56 -0.04 -1.26 -3.91 135.00 126.49 1x9l n PRO 40 Ca 0.08 -1.97 -0.02 0.00 -0.04 0.00 0.00 63.50 61.54 1x9l n PRO 40 Cb 0.60 -2.96 0.09 0.00 -0.04 0.00 0.00 33.50 31.19 1x9l n PRO 40 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1x9l n SER 41 N 7.02 -0.80 -0.86 3.54 7.64 -1.26 -5.05 113.62 123.84 1x9l n SER 41 Ca 0.50 -2.15 0.12 0.00 1.01 0.00 0.00 58.87 58.34 1x9l n SER 41 Cb 0.39 0.41 -0.03 0.00 -1.01 0.00 0.00 64.21 63.97 1x9l n SER 41 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1x9l n ILE 42 N -1.17 0.00 -0.38 0.44 2.08 -1.25 -4.28 119.36 114.80 1x9l n ILE 42 Ca -0.14 0.06 0.33 0.00 0.56 0.00 0.00 62.75 63.55 1x9l n ILE 42 Cb 0.85 -0.35 0.65 0.00 -0.75 0.00 0.00 39.64 40.04 1x9l n ILE 42 CO 0.00 0.00 0.00 -0.09 0.56 0.00 0.00 176.55 177.02 1x9l h ARG 43 N -0.80 0.16 -7.13 0.38 9.65 -1.95 -3.42 114.38 111.26 1x9l h ARG 43 Ca 0.00 -0.01 -0.53 0.00 -1.10 0.00 0.00 59.98 58.35 1x9l h ARG 43 Cb 0.79 -0.04 0.12 0.00 -1.39 0.00 0.00 29.97 29.45 1x9l h ARG 43 CO 0.01 0.10 0.44 0.16 2.80 0.00 0.00 179.97 183.48 1x9l s ASP 44 N -4.95 4.95 0.31 -3.80 -4.77 -1.26 -3.65 116.67 103.49 1x9l s ASP 44 Ca -0.07 2.32 -0.19 0.00 -3.30 0.00 0.00 52.55 51.31 1x9l s ASP 44 Cb 0.26 -2.59 0.05 0.00 -1.09 0.00 0.00 42.92 39.54 1x9l s ASP 44 CO 0.81 -1.75 0.82 0.28 0.70 0.00 0.00 175.17 176.03 1x9l s THR 45 N -1.80 0.00 0.08 2.11 -1.32 -1.26 -4.53 115.64 108.92 1x9l s THR 45 Ca 0.75 -0.92 -0.03 0.00 -1.21 0.00 0.00 61.69 60.28 1x9l s THR 45 Cb -0.29 -2.54 -0.03 0.00 -1.51 0.00 0.00 72.50 68.14 1x9l s THR 45 CO 0.37 0.00 0.05 0.00 -2.21 0.00 0.00 174.62 172.83 1x9l s ALA 46 N -2.85 0.36 0.25 11.08 0.00 -1.26 -1.42 121.76 127.91 1x9l s ALA 46 Ca 0.15 -1.09 -0.26 0.00 0.00 0.00 0.00 51.96 50.76 1x9l s ALA 46 Cb -0.05 0.43 -0.09 0.00 0.00 0.00 0.00 23.12 23.41 1x9l s ALA 46 CO 0.09 -0.43 0.87 0.00 0.00 0.00 0.00 175.76 176.29 1x9l s ALA 47 N -3.93 3.32 -0.29 0.00 0.00 0.08 -0.98 121.76 119.97 1x9l s ALA 47 Ca 0.09 0.46 0.01 0.00 0.00 0.00 0.00 51.96 52.52 1x9l s ALA 47 Cb 0.07 -3.08 0.06 0.00 0.00 0.00 0.00 23.12 20.17 1x9l s ALA 47 CO -0.08 0.23 -0.04 0.71 0.00 0.00 0.00 175.76 176.58 1x9l s TYR 48 N -1.40 3.33 0.36 0.00 1.51 0.35 -3.84 117.35 117.66 1x9l s TYR 48 Ca 0.44 -2.24 -0.11 0.00 -1.01 0.00 0.00 57.07 54.14 1x9l s TYR 48 Cb -0.21 -2.14 0.05 0.00 -0.11 0.00 0.00 41.96 39.55 1x9l s TYR 48 CO 0.26 -0.86 0.68 -0.12 -1.11 0.00 0.00 175.55 174.39 1x9l n MET 49 N 4.48 0.98 -3.73 -0.62 1.56 -1.00 -1.26 117.12 117.52 1x9l n MET 49 Ca -0.12 -2.18 -0.13 0.00 -0.27 0.00 0.00 57.70 55.01 1x9l n MET 49 Cb 0.42 2.58 -0.10 0.00 2.15 0.00 0.00 33.22 38.26 1x9l n MET 49 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 1x9l s THR 50 N -2.29 -0.01 -0.32 1.12 2.01 -1.26 -0.51 115.64 114.38 1x9l s THR 50 Ca 0.17 0.02 -0.21 0.00 0.31 0.00 0.00 61.69 61.99 1x9l s THR 50 Cb -0.04 -0.54 -0.00 0.00 0.01 0.00 0.00 72.50 71.92 1x9l s THR 50 CO 0.13 0.01 0.65 -0.76 -0.69 0.00 0.00 174.62 173.96 1x9l s LEU 51 N 0.44 4.17 -0.97 4.42 1.02 -0.14 -4.17 118.68 123.45 1x9l s LEU 51 Ca -0.02 0.36 -0.15 0.00 0.02 0.00 0.00 54.13 54.33 1x9l s LEU 51 Cb -0.04 -2.84 0.18 0.00 0.02 0.00 0.00 46.19 43.51 1x9l s LEU 51 CO -0.02 -0.54 1.07 -0.89 0.02 0.00 0.00 176.35 175.99 1x9l s THR 52 N 2.70 5.18 -1.28 5.49 2.01 -1.26 -2.37 115.64 126.11 1x9l s THR 52 Ca 0.26 -2.23 -0.19 0.00 0.31 0.00 0.00 61.69 59.85 1x9l s THR 52 Cb -0.15 -4.69 0.04 0.00 0.01 0.00 0.00 72.50 67.71 1x9l s THR 52 CO 0.13 -1.35 1.80 0.59 -0.69 0.00 0.00 174.62 175.09 1x9l n ASN 53 N 5.21 4.54 -3.17 3.53 4.13 -1.17 -3.19 115.26 125.14 1x9l n ASN 53 Ca 0.23 -2.87 -0.36 0.00 1.68 0.00 0.00 54.58 53.26 1x9l n ASN 53 Cb 0.46 -1.74 -0.04 0.00 -1.54 0.00 0.00 39.78 36.93 1x9l n ASN 53 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 1x9l n LYS 54 N 8.28 3.73 -3.63 3.52 0.00 -1.25 -4.36 118.16 124.46 1x9l n LYS 54 Ca 0.48 -2.49 -0.07 0.00 0.00 0.00 0.00 58.31 56.23 1x9l n LYS 54 Cb 0.46 -2.62 -0.06 0.00 0.00 0.00 0.00 35.03 32.81 1x9l n LYS 54 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1x9l s SER 55 N 1.45 -0.26 0.00 3.14 0.01 -1.25 -4.69 113.70 112.10 1x9l s SER 55 Ca 0.64 0.41 -0.04 0.00 1.31 0.00 0.00 55.95 58.27 1x9l s SER 55 Cb 0.21 0.39 -0.19 0.00 0.21 0.00 0.00 66.02 66.64 1x9l s SER 55 CO -0.08 -0.15 2.74 0.47 0.41 0.00 0.00 173.24 176.64 1x9l n ASP 56 N 1.39 3.96 -3.87 2.44 9.92 -1.26 -3.62 116.55 125.51 1x9l n ASP 56 Ca -0.09 -2.22 -0.21 0.00 -0.53 0.00 0.00 54.79 51.73 1x9l n ASP 56 Cb 0.57 -1.05 -0.17 0.00 -0.64 0.00 0.00 41.12 39.83 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 1.40 0.84 -0.21 -1.24 1.11 -1.26 -4.94 119.66 115.37 1x9l s GLN 57 Ca 0.46 -0.08 -0.24 0.00 0.01 0.00 0.00 55.36 55.51 1x9l s GLN 57 Cb 0.22 -0.92 -0.01 0.00 -1.01 0.00 0.00 33.01 31.29 1x9l s GLN 57 CO 0.00 -0.13 0.79 -1.25 0.01 0.00 0.00 175.29 174.70 1x9l s PRO 58 N 1.16 4.22 -0.20 2.91 0.04 -1.26 -3.35 135.00 138.52 1x9l s PRO 58 Ca -0.07 0.89 -0.05 0.00 0.04 0.00 0.00 61.00 61.81 1x9l s PRO 58 Cb -0.14 -3.61 0.10 0.00 0.04 0.00 0.00 34.50 30.89 1x9l s PRO 58 CO -0.01 -0.40 0.36 0.42 0.04 0.00 0.00 177.00 177.41 1x9l s ILE 59 N 2.42 -0.57 0.43 0.56 1.09 -1.16 -4.87 121.20 119.11 1x9l s ILE 59 Ca 0.35 0.11 -0.21 0.00 -1.10 0.00 0.00 60.65 59.80 1x9l s ILE 59 Cb -0.16 -0.66 -0.11 0.00 -1.06 0.00 0.00 42.46 40.47 1x9l s ILE 59 CO 0.10 0.01 0.95 -1.59 -0.10 0.00 0.00 174.94 174.31 1x9l s LYS 60 N 2.54 4.21 -0.08 2.79 0.00 -1.26 -4.40 119.74 123.53 1x9l s LYS 60 Ca 0.03 1.13 -0.00 0.00 0.00 0.00 0.00 55.97 57.13 1x9l s LYS 60 Cb -0.13 -2.18 -0.03 0.00 0.00 0.00 0.00 37.83 35.49 1x9l s LYS 60 CO -0.13 -0.05 -0.06 -0.48 0.00 0.00 0.00 175.35 174.63 1x9l s LEU 61 N -3.21 3.20 -0.40 2.77 -0.00 -1.25 -3.86 118.68 115.95 1x9l s LEU 61 Ca 0.62 -0.03 0.10 0.00 -0.00 0.00 0.00 54.13 54.83 1x9l s LEU 61 Cb -0.09 -1.71 0.38 0.00 -0.00 0.00 0.00 46.19 44.76 1x9l s LEU 61 CO 0.14 0.33 1.11 0.55 -0.00 0.00 0.00 176.35 178.48 1x9l n VAL 62 N 2.43 0.16 -3.59 1.48 3.14 -0.07 -4.25 118.33 117.64 1x9l n VAL 62 Ca -0.18 -2.30 -0.14 0.00 -2.96 0.00 0.00 64.34 58.76 1x9l n VAL 62 Cb 0.53 0.88 -0.06 0.00 -1.06 0.00 0.00 33.84 34.12 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 -1.79 -0.47 -0.47 7.55 0.00 -0.51 -4.72 107.32 106.90 1x9l s GLY 63 Ca 0.26 1.89 0.06 0.00 0.00 0.00 0.00 44.72 46.93 1x9l s GLY 63 CO -0.05 1.43 0.97 0.00 0.00 0.00 0.00 173.10 175.45 1x9l n ALA 64 N 1.83 -0.97 -1.98 3.20 0.00 -1.25 -3.01 120.51 118.33 1x9l n ALA 64 Ca -0.15 -1.53 -0.30 0.00 0.00 0.00 0.00 53.44 51.46 1x9l n ALA 64 Cb 0.56 -1.24 0.01 0.00 0.00 0.00 0.00 19.45 18.79 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 0.39 3.16 -0.21 0.00 0.00 0.70 -4.73 121.76 121.08 1x9l s ALA 65 Ca 0.28 -0.26 -0.31 0.00 0.00 0.00 0.00 51.96 51.67 1x9l s ALA 65 Cb 0.26 -2.93 0.15 0.00 0.00 0.00 0.00 23.12 20.60 1x9l s ALA 65 CO -0.16 -0.68 1.17 -0.08 0.00 0.00 0.00 175.76 176.02 1x9l s THR 66 N -3.09 0.00 -1.87 0.00 -1.32 -1.26 0.06 115.64 108.15 1x9l s THR 66 Ca 0.54 0.00 0.31 0.00 -1.21 0.00 0.00 61.69 61.33 1x9l s THR 66 Cb -0.11 -1.00 0.80 0.00 -1.51 0.00 0.00 72.50 70.69 1x9l s THR 66 CO 0.51 0.00 2.17 -0.81 -2.21 0.00 0.00 174.62 174.28 1x9l n PRO 67 N 0.46 0.88 -0.07 7.08 -0.04 -1.26 -4.13 135.00 137.92 1x9l n PRO 67 Ca -0.04 -0.03 -0.11 0.00 -0.04 0.00 0.00 63.50 63.28 1x9l n PRO 67 Cb 0.58 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.46 1x9l n PRO 67 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1x9l h LEU 68 N 0.07 0.00-10.68 1.53 7.12 -1.95 -3.47 115.31 107.93 1x9l h LEU 68 Ca 0.00 -0.52 -0.48 0.00 0.13 0.00 0.00 57.88 57.01 1x9l h LEU 68 Cb 0.09 0.00 0.06 0.00 -0.53 0.00 0.00 40.66 40.27 1x9l h LEU 68 CO 0.00 0.96 0.01 0.00 -0.13 0.00 0.00 178.44 179.29 1x9l s ALA 69 N -2.40 4.19 0.00 1.25 0.00 -1.26 -2.29 121.76 121.25 1x9l s ALA 69 Ca -0.16 -1.95 0.00 0.00 0.00 0.00 0.00 51.96 49.85 1x9l s ALA 69 Cb 0.00 -1.74 0.00 0.00 0.00 0.00 0.00 23.12 21.39 1x9l s ALA 69 CO 0.44 -1.20 0.03 2.41 0.00 0.00 0.00 175.76 177.44 1x9l n THR 70 N -2.57 0.00 -3.15 0.00 -1.04 -0.38 -4.75 114.28 102.40 1x9l n THR 70 Ca 0.16 0.00 -0.18 0.00 -2.04 0.00 0.00 64.05 61.99 1x9l n THR 70 Cb 0.61 1.63 -0.06 0.00 -1.82 0.00 0.00 70.33 70.70 1x9l n THR 70 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1x9l s SER 71 N 0.00 0.28 -0.73 8.00 0.01 0.68 -4.90 113.70 117.04 1x9l s SER 71 Ca 0.00 -2.50 -0.23 0.00 1.31 0.00 0.00 55.95 54.53 1x9l s SER 71 Cb 0.00 0.51 0.07 0.00 0.21 0.00 0.00 66.02 66.81 1x9l s SER 71 CO 0.00 -0.13 1.08 -2.16 0.41 0.00 0.00 173.24 172.45 1x9l s PRO 72 N 0.43 3.21 -0.26 12.44 0.04 -1.26 -0.91 135.00 148.69 1x9l s PRO 72 Ca 0.31 -0.81 -0.09 0.00 0.04 0.00 0.00 61.00 60.46 1x9l s PRO 72 Cb 0.02 -4.36 -0.04 0.00 0.04 0.00 0.00 34.50 30.16 1x9l s PRO 72 CO -0.13 -1.91 0.12 -1.64 0.04 0.00 0.00 177.00 173.47 1x9l s MET 73 N 4.37 3.79 0.23 4.56 -1.94 -0.04 -4.89 119.30 125.38 1x9l s MET 73 Ca 0.28 -0.41 -0.29 0.00 -1.71 0.00 0.00 55.69 53.56 1x9l s MET 73 Cb -0.13 -3.45 -0.09 0.00 2.01 0.00 0.00 34.83 33.18 1x9l s MET 73 CO 0.08 -0.16 0.91 -0.51 -0.01 0.00 0.00 175.02 175.33 1x9l s LEU 74 N 1.60 4.60 -0.00 -0.03 1.02 -1.26 -0.05 118.68 124.56 1x9l s LEU 74 Ca 0.06 1.87 -0.08 0.00 0.02 0.00 0.00 54.13 56.01 1x9l s LEU 74 Cb -0.15 -3.59 0.00 0.00 0.02 0.00 0.00 46.19 42.47 1x9l s LEU 74 CO 0.06 0.14 0.15 -0.32 0.02 0.00 0.00 176.35 176.41 1x9l s MET 75 N -1.27 0.47 -0.15 1.70 1.75 0.27 -3.97 119.30 118.10 1x9l s MET 75 Ca 0.41 -0.32 -0.04 0.00 -1.25 0.00 0.00 55.69 54.48 1x9l s MET 75 Cb -0.25 0.20 0.06 0.00 2.84 0.00 0.00 34.83 37.68 1x9l s MET 75 CO 0.30 -0.11 0.10 -0.08 -0.65 0.00 0.00 175.02 174.58 1x9l s THR 76 N -1.24 -0.12 -0.34 10.11 -1.32 -1.19 -0.83 115.64 120.69 1x9l s THR 76 Ca -0.13 -0.04 0.15 0.00 -1.21 0.00 0.00 61.69 60.46 1x9l s THR 76 Cb -0.07 -0.50 0.44 0.00 -1.51 0.00 0.00 72.50 70.86 1x9l s THR 76 CO 0.02 -0.18 1.09 0.41 -2.21 0.00 0.00 174.62 173.75 1x9l n THR 77 N 5.29 0.67 -3.73 5.08 -1.04 -1.25 -0.31 114.28 118.98 1x9l n THR 77 Ca -0.06 -2.52 -0.30 0.00 -2.04 0.00 0.00 64.05 59.13 1x9l n THR 77 Cb 0.49 0.80 -0.14 0.00 -1.82 0.00 0.00 70.33 69.66 1x9l n THR 77 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1x9l s THR 78 N -2.04 1.19 -1.03 12.58 2.01 -0.89 -3.98 115.64 123.48 1x9l s THR 78 Ca 0.25 -2.02 -0.24 0.00 0.31 0.00 0.00 61.69 59.99 1x9l s THR 78 Cb 0.44 -1.87 -0.08 0.00 0.01 0.00 0.00 72.50 71.00 1x9l s THR 78 CO -0.01 -0.79 1.97 -1.00 -0.69 0.00 0.00 174.62 174.11 1x9l s HIS 79 N 0.95 1.80 0.00 4.92 0.09 -1.11 -0.30 115.29 121.64 1x9l s HIS 79 Ca 0.14 0.72 0.00 0.00 -0.00 0.00 0.00 55.06 55.92 1x9l s HIS 79 Cb -0.21 -3.96 0.00 0.00 -0.00 0.00 0.00 32.58 28.41 1x9l s HIS 79 CO -0.11 -1.45 0.00 0.45 -0.00 0.00 0.00 174.74 173.63 1x9l n SER 80 N 14.70 0.00 -0.13 1.40 2.88 -1.26 -4.90 113.62 126.31 1x9l n SER 80 Ca 0.43 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.85 1x9l n SER 80 Cb 0.47 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.90 1x9l n SER 80 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 1x9l h GLY 81 N 0.00 0.86 -0.05 0.46 0.00 -1.89 -3.44 103.07 99.01 1x9l h GLY 81 Ca 0.00 -0.77 -0.02 0.00 0.00 0.00 0.00 47.33 46.54 1x9l h GLY 81 CO 0.00 0.70 -0.01 0.61 0.00 0.00 0.00 176.54 177.84 1x9l n GLY 82 N -0.08 2.56 0.00 4.60 0.00 0.58 -4.12 105.19 108.74 1x9l n GLY 82 Ca -0.02 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.85 1x9l n GLY 82 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1x9l n MET 83 N -0.77 2.09 -2.71 1.61 0.00 -1.24 -4.08 117.12 112.02 1x9l n MET 83 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 57.70 57.61 1x9l n MET 83 Cb 0.03 0.00 0.05 0.00 0.00 0.00 0.00 33.22 33.29 1x9l n MET 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1x9l n ALA 84 N -3.00 2.64 -3.33 -5.12 0.00 -1.24 -2.10 120.51 108.36 1x9l n ALA 84 Ca 0.00 -2.65 -0.13 0.00 0.00 0.00 0.00 53.44 50.66 1x9l n ALA 84 Cb 0.00 -0.96 -0.06 0.00 0.00 0.00 0.00 19.45 18.43 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 -2.54 -0.28 -1.25 0.00 0.00 0.58 -4.98 107.32 98.85 1x9l s GLY 85 Ca 0.27 -0.72 -0.08 0.00 0.00 0.00 0.00 44.72 44.19 1x9l s GLY 85 CO -0.00 2.93 2.51 -0.13 0.00 0.00 0.00 173.10 178.40 1x9l n MET 86 N 4.30 2.85 -4.15 2.90 1.56 -1.20 -3.19 117.12 120.18 1x9l n MET 86 Ca 0.11 -1.82 -0.12 0.00 -0.27 0.00 0.00 57.70 55.60 1x9l n MET 86 Cb 0.48 -2.62 -0.08 0.00 2.15 0.00 0.00 33.22 33.14 1x9l n MET 86 CO 0.00 0.00 0.00 -1.59 -0.73 0.00 0.00 175.97 173.65 1x9l s LYS 87 N 2.84 1.39 -1.44 2.12 -2.85 -1.26 -4.97 119.74 115.56 1x9l s LYS 87 Ca 0.54 -1.58 -0.13 0.00 -1.00 0.00 0.00 55.97 53.80 1x9l s LYS 87 Cb 0.14 0.34 0.05 0.00 -2.06 0.00 0.00 37.83 36.29 1x9l s LYS 87 CO -0.05 -0.50 2.23 -0.12 0.10 0.00 0.00 175.35 177.01 1x9l n MET 88 N -0.35 3.04 -0.78 1.78 0.00 -1.26 -4.41 117.12 115.14 1x9l n MET 88 Ca 0.02 -2.71 -0.30 0.00 -0.00 0.00 0.00 57.70 54.70 1x9l n MET 88 Cb 0.64 -3.20 0.18 0.00 0.00 0.00 0.00 33.22 30.85 1x9l n MET 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 1x9l s VAL 89 N 2.68 2.25 0.37 1.12 -7.23 -1.25 -4.94 120.40 113.40 1x9l s VAL 89 Ca 0.48 0.08 0.13 0.00 -1.81 0.00 0.00 61.98 60.85 1x9l s VAL 89 Cb 0.14 -2.23 0.35 0.00 0.56 0.00 0.00 36.38 35.19 1x9l s VAL 89 CO -0.07 -0.10 1.84 -0.65 -0.31 0.00 0.00 175.10 175.80 1x9l h PRO 90 N -2.01 0.55 0.00 4.82 0.11 -1.92 -3.42 132.00 130.13 1x9l h PRO 90 Ca -0.50 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1x9l h PRO 90 Cb 1.29 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1x9l h PRO 90 CO 0.47 0.36 0.00 -2.67 -0.21 0.00 0.00 178.00 175.96 1x9l n TRP 91 N -4.59 0.00 -4.57 0.65 -0.00 -1.26 -4.75 117.44 102.92 1x9l n TRP 91 Ca 0.20 0.00 -0.24 0.00 -0.00 0.00 0.00 57.50 57.46 1x9l n TRP 91 Cb 0.62 0.00 -0.16 0.00 -0.00 0.00 0.00 31.31 31.77 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 1.67 -0.49 5.67 2.34 -1.26 -4.73 118.68 121.89 1x9l s LEU 92 Ca 0.00 -0.28 -0.18 0.00 0.06 0.00 0.00 54.13 53.73 1x9l s LEU 92 Cb 0.00 -0.79 0.06 0.00 -0.56 0.00 0.00 46.19 44.90 1x9l s LEU 92 CO 0.00 0.05 0.56 -0.89 -1.06 0.00 0.00 176.35 175.00 1x9l s THR 93 N 0.55 4.97 -0.47 5.48 2.01 -1.26 -3.75 115.64 123.18 1x9l s THR 93 Ca -0.12 -0.58 -0.25 0.00 0.31 0.00 0.00 61.69 61.05 1x9l s THR 93 Cb -0.14 -4.23 0.03 0.00 0.01 0.00 0.00 72.50 68.16 1x9l s THR 93 CO 0.03 -0.71 0.93 0.27 -0.69 0.00 0.00 174.62 174.45 1x9l s ILE 94 N 2.37 4.46 -0.58 1.82 -4.36 -1.26 -4.82 121.20 118.83 1x9l s ILE 94 Ca 0.13 0.71 -0.05 0.00 -0.26 0.00 0.00 60.65 61.18 1x9l s ILE 94 Cb -0.20 -4.44 0.01 0.00 1.25 0.00 0.00 42.46 39.07 1x9l s ILE 94 CO 0.11 -0.86 2.87 -0.81 0.24 0.00 0.00 174.94 176.49 1x9l n PRO 95 N 7.20 2.78 -1.16 0.37 -0.04 -1.26 -2.98 135.00 139.91 1x9l n PRO 95 Ca 0.06 -2.30 0.14 0.00 -0.04 0.00 0.00 63.50 61.37 1x9l n PRO 95 Cb 0.48 -2.23 -0.07 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 1.44 -3.03 -1.37 0.55 0.00 -1.21 -4.67 120.51 112.21 1x9l n ALA 96 Ca 0.52 0.68 -0.11 0.00 0.00 0.00 0.00 53.44 54.53 1x9l n ALA 96 Cb 0.55 -1.23 -0.05 0.00 0.00 0.00 0.00 19.45 18.72 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 -3.91 -1.28 -1.25 0.00 3.00 -1.24 -4.83 116.66 107.16 1x9l n ARG 97 Ca -0.06 0.67 -0.43 0.00 -0.01 0.00 0.00 57.85 58.02 1x9l n ARG 97 Cb 0.55 -4.89 -0.05 0.00 0.00 0.00 0.00 32.46 28.07 1x9l n ARG 97 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1x9l n GLY 98 N -0.23 2.93 2.35 -0.13 0.00 -1.26 -4.74 105.19 104.11 1x9l n GLY 98 Ca -0.11 -1.33 -0.35 0.00 0.00 0.00 0.00 46.02 44.23 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 5.79 4.38 -3.49 2.61 5.66 -1.25 -3.05 114.28 124.94 1x9l n THR 99 Ca 0.50 -3.10 -0.27 0.00 -3.05 0.00 0.00 64.05 58.13 1x9l n THR 99 Cb 0.40 -2.24 -0.03 0.00 -1.55 0.00 0.00 70.33 66.90 1x9l n THR 99 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 1x9l s LEU 100 N -0.90 4.12 -0.16 1.09 -0.00 -1.00 -4.92 118.68 116.90 1x9l s LEU 100 Ca 0.63 0.54 0.00 0.00 -0.00 0.00 0.00 54.13 55.31 1x9l s LEU 100 Cb 0.22 -3.35 0.03 0.00 -0.00 0.00 0.00 46.19 43.09 1x9l s LEU 100 CO -0.08 -0.15 -0.10 0.28 -0.00 0.00 0.00 176.35 176.30 1x9l s THR 101 N -2.03 1.43 -0.06 5.48 -1.32 -1.26 -0.97 115.64 116.90 1x9l s THR 101 Ca 0.41 -0.71 -0.27 0.00 -1.21 0.00 0.00 61.69 59.91 1x9l s THR 101 Cb -0.11 -1.46 -0.03 0.00 -1.51 0.00 0.00 72.50 69.39 1x9l s THR 101 CO 0.30 0.28 0.86 -0.76 -2.21 0.00 0.00 174.62 173.10 1x9l s LEU 102 N 1.52 4.30 0.21 9.08 1.02 0.34 -4.64 118.68 130.51 1x9l s LEU 102 Ca 0.02 1.40 -0.17 0.00 0.02 0.00 0.00 54.13 55.40 1x9l s LEU 102 Cb -0.14 -3.34 0.02 0.00 0.02 0.00 0.00 46.19 42.74 1x9l s LEU 102 CO -0.09 -0.26 0.54 0.00 0.02 0.00 0.00 176.35 176.56 1x9l s GLN 103 N 1.26 1.45 -0.88 1.70 -2.07 0.10 -2.39 119.66 118.83 1x9l s GLN 103 Ca 0.44 -0.92 -0.25 0.00 -1.82 0.00 0.00 55.36 52.82 1x9l s GLN 103 Cb -0.19 0.53 -0.07 0.00 -1.09 0.00 0.00 33.01 32.19 1x9l s GLN 103 CO 0.21 -0.62 2.06 0.50 -1.32 0.00 0.00 175.29 176.12 1x9l s ARG 104 N -3.89 2.31 0.00 9.60 3.52 -1.26 -3.60 118.95 125.63 1x9l s ARG 104 Ca 0.11 -0.12 0.00 0.00 -0.13 0.00 0.00 55.73 55.58 1x9l s ARG 104 Cb -0.02 -5.00 0.00 0.00 -1.56 0.00 0.00 34.95 28.38 1x9l s ARG 104 CO -0.00 -3.67 0.00 -3.47 -0.81 0.00 0.00 175.30 167.35 1x9l n ASP 105 N 15.16 0.00 -3.75 -2.12 -0.08 -1.26 -5.03 116.55 119.47 1x9l n ASP 105 Ca 0.42 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 53.28 1x9l n ASP 105 Cb 0.46 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 43.87 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 0.00 2.68 1.19 0.27 0.00 -1.24 -3.90 105.19 104.19 1x9l n GLY 106 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.75 1x9l n GLY 106 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1x9l n ASP 107 N 7.97 -6.70 -3.98 1.61 -0.08 -1.26 -4.16 116.55 109.96 1x9l n ASP 107 Ca 0.49 0.92 0.05 0.00 -1.51 0.00 0.00 54.79 54.74 1x9l n ASP 107 Cb 0.41 -3.27 0.01 0.00 2.34 0.00 0.00 41.12 40.61 1x9l n ASP 107 CO 0.00 0.00 0.00 -1.38 0.12 0.00 0.00 177.20 175.94 1x9l s HIS 108 N -2.87 0.00 -0.14 -0.67 -3.43 -0.01 -0.72 115.29 107.45 1x9l s HIS 108 Ca 0.00 -0.03 0.00 0.00 -0.80 0.00 0.00 55.06 54.23 1x9l s HIS 108 Cb 0.00 0.51 -0.01 0.00 -1.43 0.00 0.00 32.58 31.65 1x9l s HIS 108 CO 0.00 -0.05 -0.14 0.08 -2.00 0.00 0.00 174.74 172.63 1x9l s VAL 109 N -2.01 2.92 -0.88 -5.38 1.01 -1.26 -0.56 120.40 114.24 1x9l s VAL 109 Ca 0.31 -0.70 -0.24 0.00 0.00 0.00 0.00 61.98 61.36 1x9l s VAL 109 Cb 0.00 -2.23 0.06 0.00 0.00 0.00 0.00 36.38 34.22 1x9l s VAL 109 CO -0.03 0.52 1.30 -0.04 0.00 0.00 0.00 175.10 176.85 1x9l s MET 110 N 0.47 3.41 -1.49 2.72 -1.94 0.92 -0.74 119.30 122.66 1x9l s MET 110 Ca -0.10 -0.91 -0.11 0.00 -1.71 0.00 0.00 55.69 52.86 1x9l s MET 110 Cb -0.16 -4.81 0.01 0.00 2.01 0.00 0.00 34.83 31.88 1x9l s MET 110 CO 0.05 -2.09 2.48 1.28 -0.01 0.00 0.00 175.02 176.73 1x9l n LEU 111 N 8.58 7.65 -4.96 -0.03 4.77 -0.51 -0.86 117.00 131.64 1x9l n LEU 111 Ca 0.18 -4.34 -0.28 0.00 -0.03 0.00 0.00 56.01 51.55 1x9l n LEU 111 Cb 0.49 -1.58 0.17 0.00 -2.33 0.00 0.00 43.42 40.18 1x9l n LEU 111 CO 0.65 1.57 0.77 0.00 -1.33 0.00 0.00 177.39 179.06 1x9l s MET 112 N 2.16 0.82 -0.61 3.23 0.23 -0.08 -4.24 119.30 120.80 1x9l s MET 112 Ca 0.55 -0.79 -0.01 0.00 -1.03 0.00 0.00 55.69 54.41 1x9l s MET 112 Cb 0.15 -2.02 0.00 0.00 -1.53 0.00 0.00 34.83 31.44 1x9l s MET 112 CO -0.07 -2.19 0.52 0.41 -2.03 0.00 0.00 175.02 171.66 1x9l n GLY 113 N -3.49 0.09 3.65 3.16 0.00 -1.26 -0.23 105.19 107.11 1x9l n GLY 113 Ca 0.17 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1x9l n GLY 113 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1x9l s LEU 114 N -4.15 4.24 0.06 0.99 0.20 -1.24 -1.25 118.68 117.53 1x9l s LEU 114 Ca 0.07 2.18 -0.31 0.00 0.69 0.00 0.00 54.13 56.76 1x9l s LEU 114 Cb -0.03 -3.53 -0.16 0.00 -0.43 0.00 0.00 46.19 42.03 1x9l s LEU 114 CO 0.36 -1.02 1.48 0.11 -0.29 0.00 0.00 176.35 176.99 1x9l h LYS 115 N 9.99 -0.99 0.00 1.98 6.56 -1.76 -3.47 116.57 128.88 1x9l h LYS 115 Ca -0.39 0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.26 1x9l h LYS 115 Cb 1.18 0.22 0.00 0.00 -0.57 0.00 0.00 32.23 33.07 1x9l h LYS 115 CO 0.96 -0.66 0.00 0.54 -2.06 0.00 0.00 179.45 178.23 1x9l n ARG 116 N -5.08 0.00 -1.67 3.15 1.74 -1.26 -5.05 116.66 108.49 1x9l n ARG 116 Ca -0.13 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.54 1x9l n ARG 116 Cb 0.43 0.00 -0.01 0.00 -1.02 0.00 0.00 32.46 31.86 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 -3.29 2.78 -0.83 5.56 -0.04 -1.26 -4.80 135.00 133.11 1x9l n PRO 117 Ca 0.00 -2.52 -0.20 0.00 -0.04 0.00 0.00 63.50 60.73 1x9l n PRO 117 Cb 0.00 -3.24 -0.06 0.00 -0.04 0.00 0.00 33.50 30.16 1x9l n PRO 117 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 1x9l n LEU 118 N 6.10 5.20 -4.55 1.53 -0.00 -1.26 -4.87 117.00 119.16 1x9l n LEU 118 Ca 0.53 -2.98 -0.37 0.00 -0.00 0.00 0.00 56.01 53.19 1x9l n LEU 118 Cb 0.38 -1.15 -0.03 0.00 -0.00 0.00 0.00 43.42 42.62 1x9l n LEU 118 CO 0.91 1.05 1.43 -0.54 -0.00 0.00 0.00 177.39 180.25 1x9l s LYS 119 N 2.51 2.85 -0.82 1.47 3.01 -1.26 -4.79 119.74 122.71 1x9l s LYS 119 Ca 0.48 -0.01 -0.24 0.00 -1.01 0.00 0.00 55.97 55.19 1x9l s LYS 119 Cb 0.16 -4.62 -0.16 0.00 -1.01 0.00 0.00 37.83 32.19 1x9l s LYS 119 CO -0.03 -2.69 2.38 0.28 0.51 0.00 0.00 175.35 175.80 1x9l n VAL 120 N 7.14 0.00 0.00 3.17 0.31 -1.25 -0.86 118.33 126.85 1x9l n VAL 120 Ca 0.23 -0.49 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 1x9l n VAL 120 Cb 0.50 -1.76 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 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 6.65 0.85 3.07 2.92 0.00 0.80 -4.95 105.19 114.54 1x9l n GLY 121 Ca 0.49 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.24 -3.71 1.61 2.13 -0.04 -4.82 120.64 114.58 1x9l n GLU 122 Ca 0.00 -1.63 -0.11 0.00 0.66 0.00 0.00 57.16 56.08 1x9l n GLU 122 Cb 0.00 -1.13 -0.11 0.00 0.27 0.00 0.00 31.44 30.47 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 -3.26 -0.02 0.00 6.31 2.01 -1.26 -0.58 115.64 118.85 1x9l s THR 123 Ca 0.60 0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.71 1x9l s THR 123 Cb -0.02 -0.58 -0.01 0.00 0.01 0.00 0.00 72.50 71.90 1x9l s THR 123 CO 0.43 0.03 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.61 1x9l s VAL 124 N 1.20 0.68 0.08 3.82 1.01 0.04 -4.92 120.40 122.32 1x9l s VAL 124 Ca -0.08 -0.48 -0.31 0.00 0.00 0.00 0.00 61.98 61.12 1x9l s VAL 124 Cb -0.08 -0.59 -0.08 0.00 0.00 0.00 0.00 36.38 35.63 1x9l s VAL 124 CO -0.10 0.12 1.46 0.20 0.00 0.00 0.00 175.10 176.77 1x9l s ASN 125 N -0.40 6.77 0.84 3.32 -0.87 -1.26 -0.33 114.94 123.00 1x9l s ASN 125 Ca 0.02 2.33 -0.11 0.00 -1.57 0.00 0.00 52.86 53.52 1x9l s ASN 125 Cb -0.04 -2.58 0.13 0.00 -0.02 0.00 0.00 41.25 38.74 1x9l s ASN 125 CO -0.00 -0.73 1.18 -0.51 -2.57 0.00 0.00 177.10 174.47 1x9l s ILE 126 N 1.73 2.07 -0.14 0.60 2.07 0.40 -4.42 121.20 123.51 1x9l s ILE 126 Ca 0.67 -0.11 -0.04 0.00 -1.41 0.00 0.00 60.65 59.75 1x9l s ILE 126 Cb -0.37 -2.96 0.07 0.00 0.13 0.00 0.00 42.46 39.33 1x9l s ILE 126 CO 0.30 0.00 0.20 -0.89 -1.91 0.00 0.00 174.94 172.64 1x9l s THR 127 N -3.58 -0.31 0.72 4.00 2.01 0.11 -3.03 115.64 115.56 1x9l s THR 127 Ca 0.66 0.14 -0.05 0.00 0.31 0.00 0.00 61.69 62.75 1x9l s THR 127 Cb -0.08 -0.48 0.09 0.00 0.01 0.00 0.00 72.50 72.04 1x9l s THR 127 CO 0.49 -0.01 1.01 -1.48 -0.69 0.00 0.00 174.62 173.94 1x9l s LEU 128 N 2.32 2.92 -0.28 4.42 0.05 -0.08 -0.21 118.68 127.82 1x9l s LEU 128 Ca 0.04 0.14 -0.01 0.00 0.05 0.00 0.00 54.13 54.35 1x9l s LEU 128 Cb -0.14 -2.68 0.17 0.00 -2.05 0.00 0.00 46.19 41.50 1x9l s LEU 128 CO -0.09 -1.74 0.52 -0.75 -0.55 0.00 0.00 176.35 173.75 1x9l s LYS 129 N -5.22 0.49 -0.11 1.48 2.20 -1.16 -3.38 119.74 114.04 1x9l s LYS 129 Ca 0.63 0.82 -0.26 0.00 -0.36 0.00 0.00 55.97 56.80 1x9l s LYS 129 Cb -0.08 0.19 -0.02 0.00 -1.51 0.00 0.00 37.83 36.40 1x9l s LYS 129 CO 0.45 -0.65 0.85 0.00 -0.36 0.00 0.00 175.35 175.63 1x9l s ALA 130 N 2.75 3.40 -1.58 3.13 0.00 0.42 -0.90 121.76 128.99 1x9l s ALA 130 Ca 0.18 0.19 -0.11 0.00 0.00 0.00 0.00 51.96 52.21 1x9l s ALA 130 Cb -0.15 -3.22 -0.06 0.00 0.00 0.00 0.00 23.12 19.70 1x9l s ALA 130 CO -0.20 -0.45 2.77 -2.37 0.00 0.00 0.00 175.76 175.51 1x9l n THR 131 N 4.36 4.08 0.00 0.00 5.66 -1.25 -3.21 114.28 123.93 1x9l n THR 131 Ca 0.04 -2.67 0.00 0.00 -3.05 0.00 0.00 64.05 58.37 1x9l n THR 131 Cb 0.50 -2.61 0.00 0.00 -1.55 0.00 0.00 70.33 66.67 1x9l n THR 131 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1x9l n ASP 132 N 4.22 0.00 0.00 1.09 8.00 -1.26 -4.95 116.55 123.65 1x9l n ASP 132 Ca 0.72 0.00 0.00 0.00 0.71 0.00 0.00 54.79 56.22 1x9l n ASP 132 Cb 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 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 0.00 -0.19 2.99 0.44 0.00 -1.20 -5.06 105.19 102.17 1x9l n GLY 133 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1x9l n GLY 133 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1x9l n ARG 134 N -0.63 0.80 -4.57 1.61 0.63 -1.24 -5.00 116.66 108.25 1x9l n ARG 134 Ca 0.00 -1.60 -0.22 0.00 -0.92 0.00 0.00 57.85 55.10 1x9l n ARG 134 Cb 0.00 2.04 -0.14 0.00 0.45 0.00 0.00 32.46 34.80 1x9l n ARG 134 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1x9l s THR 135 N -2.26 1.19 -0.09 5.15 2.01 -1.26 -0.44 115.64 119.95 1x9l s THR 135 Ca 0.14 -0.80 -0.24 0.00 0.31 0.00 0.00 61.69 61.10 1x9l s THR 135 Cb -0.03 -1.02 0.05 0.00 0.01 0.00 0.00 72.50 71.51 1x9l s THR 135 CO 0.08 0.22 0.56 -0.22 -0.69 0.00 0.00 174.62 174.56 1x9l s LEU 136 N -0.67 -0.15 -0.56 4.42 0.20 -1.22 -4.97 118.68 115.73 1x9l s LEU 136 Ca 0.05 0.69 0.05 0.00 0.69 0.00 0.00 54.13 55.61 1x9l s LEU 136 Cb -0.07 2.06 0.35 0.00 -0.43 0.00 0.00 46.19 48.10 1x9l s LEU 136 CO 0.00 -0.45 0.95 -0.46 -0.29 0.00 0.00 176.35 176.10 1x9l n ASN 137 N 1.53 4.30 -4.80 3.68 6.94 -1.26 -0.91 115.26 124.75 1x9l n ASN 137 Ca -0.18 -3.65 -0.35 0.00 -0.02 0.00 0.00 54.58 50.38 1x9l n ASN 137 Cb 0.56 -0.56 -0.06 0.00 -2.36 0.00 0.00 39.78 37.37 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 -4.42 4.11 -0.48 3.53 1.01 -1.17 -4.61 120.40 118.39 1x9l s VAL 138 Ca 0.48 1.50 -0.28 0.00 0.00 0.00 0.00 61.98 63.69 1x9l s VAL 138 Cb 0.29 -3.72 0.03 0.00 0.00 0.00 0.00 36.38 32.98 1x9l s VAL 138 CO -0.14 -0.10 1.08 0.00 0.00 0.00 0.00 175.10 175.94 1x9l s ALA 139 N -1.87 3.17 -0.25 5.51 0.00 -1.26 -0.45 121.76 126.60 1x9l s ALA 139 Ca 0.58 -0.57 -0.10 0.00 0.00 0.00 0.00 51.96 51.87 1x9l s ALA 139 Cb -0.16 -3.84 -0.05 0.00 0.00 0.00 0.00 23.12 19.08 1x9l s ALA 139 CO 0.20 -2.23 0.15 0.00 0.00 0.00 0.00 175.76 173.89 1x9l s ALA 140 N 4.29 3.50 -0.10 0.00 0.00 0.55 -4.38 121.76 125.62 1x9l s ALA 140 Ca 0.45 -1.00 -0.26 0.00 0.00 0.00 0.00 51.96 51.15 1x9l s ALA 140 Cb -0.08 -2.33 -0.02 0.00 0.00 0.00 0.00 23.12 20.69 1x9l s ALA 140 CO 0.30 -0.36 0.85 0.99 0.00 0.00 0.00 175.76 177.55 1x9l s THR 141 N 1.38 4.91 -0.70 0.00 2.01 -1.00 -0.78 115.64 121.46 1x9l s THR 141 Ca 0.07 1.72 -0.20 0.00 0.31 0.00 0.00 61.69 63.59 1x9l s THR 141 Cb -0.15 -4.17 0.10 0.00 0.01 0.00 0.00 72.50 68.29 1x9l s THR 141 CO 0.07 0.11 0.90 -0.69 -0.69 0.00 0.00 174.62 174.31 1x9l s VAL 142 N 1.55 4.65 -0.29 3.82 1.01 0.26 -0.47 120.40 130.93 1x9l s VAL 142 Ca 0.42 -0.95 0.02 0.00 0.00 0.00 0.00 61.98 61.48 1x9l s VAL 142 Cb -0.18 -4.63 0.17 0.00 0.00 0.00 0.00 36.38 31.75 1x9l s VAL 142 CO 0.18 -1.33 0.48 -1.59 0.00 0.00 0.00 175.10 172.84 1x9l s LYS 143 N 3.10 0.47 0.06 2.72 0.00 0.93 -0.14 119.74 126.88 1x9l s LYS 143 Ca 0.20 0.41 -0.24 0.00 0.00 0.00 0.00 55.97 56.34 1x9l s LYS 143 Cb -0.17 -0.05 -0.11 0.00 0.00 0.00 0.00 37.83 37.50 1x9l s LYS 143 CO 0.04 -0.95 1.38 1.57 0.00 0.00 0.00 175.35 177.39 1x9l h LYS 144 N 8.09 -0.62 0.00 1.78 5.09 -1.70 -3.38 116.57 125.85 1x9l h LYS 144 Ca -0.09 0.04 0.00 0.00 0.09 0.00 0.00 60.65 60.69 1x9l h LYS 144 Cb 1.15 0.14 0.00 0.00 0.10 0.00 0.00 32.23 33.62 1x9l h LYS 144 CO 0.23 -0.41 0.00 -1.71 -2.09 0.00 0.00 179.45 175.47 1x9l n ASN 145 N -4.50 -4.05 0.06 7.07 2.85 -1.26 -0.52 115.26 114.90 1x9l n ASN 145 Ca -0.08 0.00 0.13 0.00 -0.11 0.00 0.00 54.58 54.53 1x9l n ASN 145 Cb 0.31 0.00 0.61 0.00 1.24 0.00 0.00 39.78 41.94 1x9l n ASN 145 CO 0.00 0.00 0.00 0.16 -2.11 0.00 0.00 177.26 175.31 1x9l h ILE 146 N 0.00 0.88 0.59 -1.44 3.07 -1.99 -2.54 117.51 116.07 1x9l h ILE 146 Ca 0.00 -0.05 -0.03 0.00 1.55 0.00 0.00 64.86 66.33 1x9l h ILE 146 Cb 0.00 0.73 0.00 0.00 -0.27 0.00 0.00 36.82 37.28 1x9l h ILE 146 CO 0.00 0.03 -0.32 -0.08 -1.05 0.00 0.00 178.15 176.72 1x9l h GLU 147 N 0.14 -0.81 -2.70 0.16 4.57 -1.95 -3.13 114.58 110.87 1x9l h GLU 147 Ca 0.17 0.06 -0.45 0.00 -1.18 0.00 0.00 59.36 57.96 1x9l h GLU 147 Cb 0.51 0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.28 1x9l h GLU 147 CO -0.02 -0.54 2.15 0.41 -1.18 0.00 0.00 179.01 179.83 1x9l n GLY 148 N -1.43 3.60 0.42 1.92 0.00 0.32 -5.07 105.19 104.95 1x9l n GLY 148 Ca -0.10 -1.28 0.05 0.00 0.00 0.00 0.00 46.02 44.68 1x9l n GLY 148 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19