#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 -1.99 1.83 3.03 0.00 -1.26 -5.11 105.19 101.69 1x9l n GLY 2 Ca 0.00 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1x9l n GLY 2 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1x9l n HIS 3 N -2.85 -0.53 -3.66 1.61 -0.00 -1.26 -5.20 115.22 103.33 1x9l n HIS 3 Ca -0.01 -0.43 -0.07 0.00 -0.00 0.00 0.00 57.72 57.20 1x9l n HIS 3 Cb 0.24 0.20 0.02 0.00 -0.00 0.00 0.00 29.99 30.45 1x9l n HIS 3 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.34 173.97 1x9l n THR 4 N -0.39 0.00 -3.16 0.61 5.66 -1.26 -5.16 114.28 110.57 1x9l n THR 4 Ca 0.01 -0.84 0.03 0.00 -3.05 0.00 0.00 64.05 60.19 1x9l n THR 4 Cb 0.27 0.79 -0.01 0.00 -1.55 0.00 0.00 70.33 69.83 1x9l n THR 4 CO 0.00 0.00 0.00 -0.32 -3.05 0.00 0.00 175.07 171.70 1x9l s MET 5 N -2.12 0.55 0.50 1.09 -2.45 -1.26 -5.17 119.30 110.44 1x9l s MET 5 Ca 0.14 0.88 -0.13 0.00 -1.25 0.00 0.00 55.69 55.33 1x9l s MET 5 Cb -0.04 0.43 -0.06 0.00 1.25 0.00 0.00 34.83 36.40 1x9l s MET 5 CO 0.10 -0.71 0.92 -1.25 1.05 0.00 0.00 175.02 175.13 1x9l s PRO 6 N 2.83 3.81 0.29 4.11 0.04 -1.26 -5.09 135.00 139.72 1x9l s PRO 6 Ca 0.18 0.73 -0.10 0.00 0.04 0.00 0.00 61.00 61.84 1x9l s PRO 6 Cb -0.14 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.18 1x9l s PRO 6 CO -0.22 -0.25 0.51 0.00 0.04 0.00 0.00 177.00 177.08 1x9l s ALA 7 N -2.65 -0.02 0.15 8.56 0.00 -1.26 -5.19 121.76 121.34 1x9l s ALA 7 Ca 0.55 -1.03 -0.06 0.00 0.00 0.00 0.00 51.96 51.42 1x9l s ALA 7 Cb -0.10 1.05 0.02 0.00 0.00 0.00 0.00 23.12 24.10 1x9l s ALA 7 CO 0.36 -0.85 0.32 -2.39 0.00 0.00 0.00 175.76 173.20 1x9l n HIS 8 N -0.44 -1.51 -3.73 0.00 1.44 -1.26 -5.18 115.22 104.55 1x9l n HIS 8 Ca -0.02 -0.72 -0.12 0.00 -2.01 0.00 0.00 57.72 54.85 1x9l n HIS 8 Cb 0.62 0.36 -0.11 0.00 0.12 0.00 0.00 29.99 30.98 1x9l n HIS 8 CO 0.00 0.00 0.00 0.99 -2.81 0.00 0.00 176.34 174.52 1x9l s THR 9 N -2.63 -0.01 0.73 0.61 2.01 -1.26 -5.17 115.64 109.92 1x9l s THR 9 Ca 0.06 0.05 -0.12 0.00 0.31 0.00 0.00 61.69 62.00 1x9l s THR 9 Cb -0.02 -0.53 0.03 0.00 0.01 0.00 0.00 72.50 72.00 1x9l s THR 9 CO 0.05 0.02 1.09 -2.16 -0.69 0.00 0.00 174.62 172.93 1x9l s PRO 10 N 0.74 2.51 1.12 4.92 0.04 -1.26 -5.06 135.00 138.02 1x9l s PRO 10 Ca -0.04 1.20 -0.19 0.00 0.04 0.00 0.00 61.00 62.01 1x9l s PRO 10 Cb -0.06 -1.93 0.26 0.00 0.04 0.00 0.00 34.50 32.82 1x9l s PRO 10 CO -0.05 -1.45 1.22 -1.25 0.04 0.00 0.00 177.00 175.51 1x9l s PRO 11 N -4.69 -0.61 0.23 0.56 0.04 -1.26 -5.12 135.00 124.15 1x9l s PRO 11 Ca 0.62 -0.33 -0.08 0.00 0.04 0.00 0.00 61.00 61.26 1x9l s PRO 11 Cb -0.18 -1.69 -0.02 0.00 0.04 0.00 0.00 34.50 32.65 1x9l s PRO 11 CO 0.52 -3.26 0.33 0.00 0.04 0.00 0.00 177.00 174.62 1x9l s ALA 12 N -3.45 0.35 0.37 8.56 0.00 -1.26 -5.19 121.76 121.14 1x9l s ALA 12 Ca 0.74 -1.22 -0.15 0.00 0.00 0.00 0.00 51.96 51.33 1x9l s ALA 12 Cb -0.05 1.20 0.06 0.00 0.00 0.00 0.00 23.12 24.33 1x9l s ALA 12 CO 0.55 -0.74 0.79 0.00 0.00 0.00 0.00 175.76 176.35 1x9l n GLN 13 N -0.33 1.06 -1.94 0.00 10.64 -1.26 -5.20 117.38 120.36 1x9l n GLN 13 Ca -0.00 -2.09 -0.03 0.00 -1.83 0.00 0.00 57.00 53.04 1x9l n GLN 13 Cb 0.64 2.63 0.01 0.00 -0.86 0.00 0.00 30.24 32.66 1x9l n GLN 13 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86 1x9l n THR 14 N -0.53 0.00 -3.15 -0.39 5.66 -1.26 -5.17 114.28 109.44 1x9l n THR 14 Ca -0.08 -0.34 0.04 0.00 -3.05 0.00 0.00 64.05 60.62 1x9l n THR 14 Cb 0.57 0.33 -0.01 0.00 -1.55 0.00 0.00 70.33 69.68 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 -1.37 -2.35 1.00 1.79 0.00 -1.26 -5.18 121.76 114.39 1x9l s ALA 15 Ca 0.05 1.74 -0.16 0.00 0.00 0.00 0.00 51.96 53.59 1x9l s ALA 15 Cb -0.02 -2.23 0.21 0.00 0.00 0.00 0.00 23.12 21.08 1x9l s ALA 15 CO 0.04 -1.40 1.27 -1.25 0.00 0.00 0.00 175.76 174.42 1x9l s PRO 16 N 2.86 0.34 0.26 0.00 0.04 -1.26 -5.12 135.00 132.12 1x9l s PRO 16 Ca 0.19 -0.29 -0.16 0.00 0.04 0.00 0.00 61.00 60.78 1x9l s PRO 16 Cb -0.14 -1.80 0.01 0.00 0.04 0.00 0.00 34.50 32.61 1x9l s PRO 16 CO -0.21 -2.64 0.57 0.00 0.04 0.00 0.00 177.00 174.77 1x9l s ALA 17 N -3.67 -0.67 0.27 8.56 0.00 -1.26 -5.19 121.76 119.80 1x9l s ALA 17 Ca 0.72 -0.61 -0.21 0.00 0.00 0.00 0.00 51.96 51.87 1x9l s ALA 17 Cb -0.06 0.97 0.02 0.00 0.00 0.00 0.00 23.12 24.05 1x9l s ALA 17 CO 0.53 -0.92 0.69 0.00 0.00 0.00 0.00 175.76 176.07 1x9l s ALA 18 N -3.97 -1.17 0.35 0.00 0.00 -1.26 -5.20 121.76 110.51 1x9l s ALA 18 Ca 0.17 -0.30 -0.00 0.00 0.00 0.00 0.00 51.96 51.83 1x9l s ALA 18 Cb -0.03 0.87 -0.00 0.00 0.00 0.00 0.00 23.12 23.96 1x9l s ALA 18 CO 0.07 -1.01 0.45 -0.65 0.00 0.00 0.00 175.76 174.62 1x9l s GLN 19 N -3.91 1.91 0.32 0.00 -0.21 -1.26 -5.20 119.66 111.31 1x9l s GLN 19 Ca 0.11 -1.83 -0.13 0.00 0.02 0.00 0.00 55.36 53.54 1x9l s GLN 19 Cb -0.05 0.43 0.02 0.00 1.00 0.00 0.00 33.01 34.40 1x9l s GLN 19 CO 0.06 -0.78 0.62 0.21 -2.12 0.00 0.00 175.29 173.28 1x9l s LYS 20 N -3.06 1.89 0.27 2.91 2.20 -1.26 -5.20 119.74 117.49 1x9l s LYS 20 Ca 0.32 -1.38 -0.06 0.00 -0.36 0.00 0.00 55.97 54.50 1x9l s LYS 20 Cb -0.00 0.54 0.02 0.00 -1.51 0.00 0.00 37.83 36.88 1x9l s LYS 20 CO 0.22 -0.84 0.46 0.00 -0.36 0.00 0.00 175.35 174.83 1x9l n ALA 21 N -0.49 -0.77 -3.70 3.13 0.00 -1.26 -5.20 120.51 112.23 1x9l n ALA 21 Ca -0.04 -1.02 -0.04 0.00 0.00 0.00 0.00 53.44 52.34 1x9l n ALA 21 Cb 0.61 0.82 0.01 0.00 0.00 0.00 0.00 19.45 20.88 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 -0.39 1.61 2.03 0.00 0.00 -1.26 -5.12 105.19 102.05 1x9l n GLY 22 Ca -0.03 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.65 1x9l n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x9l n ALA 23 N -1.12 2.58 -1.68 4.61 0.00 -1.26 -5.08 120.51 118.56 1x9l n ALA 23 Ca -0.12 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.87 1x9l n ALA 23 Cb 0.47 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.88 1x9l n ALA 23 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x9l n GLN 24 N -3.44 2.50 -0.01 0.00 0.00 -1.26 -4.91 117.38 110.26 1x9l n GLN 24 Ca 0.00 0.91 -0.01 0.00 0.00 0.00 0.00 57.00 57.90 1x9l n GLN 24 Cb 0.00 -2.78 -0.00 0.00 0.00 0.00 0.00 30.24 27.46 1x9l n GLN 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1x9l n ALA 25 N 5.81 0.59 -3.64 2.61 0.00 -1.26 -5.09 120.51 119.54 1x9l n ALA 25 Ca 0.20 -0.27 -0.08 0.00 0.00 0.00 0.00 53.44 53.29 1x9l n ALA 25 Cb 0.34 0.01 -0.08 0.00 0.00 0.00 0.00 19.45 19.72 1x9l n ALA 25 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1x9l s LEU 26 N -5.34 -0.80 0.76 0.00 0.20 -1.26 -5.17 118.68 107.08 1x9l s LEU 26 Ca -0.03 1.43 -0.11 0.00 0.69 0.00 0.00 54.13 56.10 1x9l s LEU 26 Cb 0.00 2.26 0.05 0.00 -0.43 0.00 0.00 46.19 48.07 1x9l s LEU 26 CO 0.04 -0.23 1.10 -2.16 -0.29 0.00 0.00 176.35 174.81 1x9l s PRO 27 N 1.44 2.28 -0.63 0.98 0.04 -1.26 -4.50 135.00 133.34 1x9l s PRO 27 Ca -0.09 1.23 -0.07 0.00 0.04 0.00 0.00 61.00 62.11 1x9l s PRO 27 Cb -0.05 -1.90 -0.15 0.00 0.04 0.00 0.00 34.50 32.44 1x9l s PRO 27 CO -0.16 -1.63 3.25 1.33 0.04 0.00 0.00 177.00 179.83 1x9l n VAL 28 N -3.37 3.59 -2.73 -0.36 0.24 -1.26 -4.12 118.33 110.32 1x9l n VAL 28 Ca 0.09 -2.18 -0.08 0.00 -2.04 0.00 0.00 64.34 60.13 1x9l n VAL 28 Cb 0.53 -2.15 0.09 0.00 -1.47 0.00 0.00 33.84 30.84 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 2.59 0.11 -3.39 3.34 -2.24 -1.26 -4.68 114.28 108.75 1x9l n THR 29 Ca 0.56 -1.86 -0.44 0.00 -2.27 0.00 0.00 64.05 60.04 1x9l n THR 29 Cb 0.63 1.02 -0.01 0.00 -2.10 0.00 0.00 70.33 69.87 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 -0.33 5.72 -0.06 2.28 0.11 -1.26 -4.99 120.40 121.87 1x9l s VAL 30 Ca 0.24 -3.44 0.04 0.00 -2.93 0.00 0.00 61.98 55.89 1x9l s VAL 30 Cb 0.37 -4.45 -0.00 0.00 -1.53 0.00 0.00 36.38 30.77 1x9l s VAL 30 CO -0.06 -1.16 -0.19 0.00 -3.33 0.00 0.00 175.10 170.35 1x9l s GLN 31 N -1.20 2.22 -0.57 1.54 0.00 -1.24 -4.11 119.66 116.30 1x9l s GLN 31 Ca 0.29 -0.69 -0.11 0.00 -0.00 0.00 0.00 55.36 54.85 1x9l s GLN 31 Cb -0.10 -1.82 0.14 0.00 0.00 0.00 0.00 33.01 31.24 1x9l s GLN 31 CO -0.09 0.22 0.46 0.20 0.00 0.00 0.00 175.29 176.08 1x9l s GLY 32 N 0.18 2.22 -0.10 2.60 0.00 -1.26 -4.93 107.32 106.03 1x9l s GLY 32 Ca -0.09 -2.77 -0.29 0.00 0.00 0.00 0.00 44.72 41.57 1x9l s GLY 32 CO 0.04 1.15 1.69 0.00 0.00 0.00 0.00 173.10 175.99 1x9l s ALA 33 N 1.02 3.48 0.11 3.20 0.00 -1.26 -4.38 121.76 123.93 1x9l s ALA 33 Ca 0.09 0.82 0.09 0.00 0.00 0.00 0.00 51.96 52.96 1x9l s ALA 33 Cb -0.23 -3.80 -0.04 0.00 0.00 0.00 0.00 23.12 19.05 1x9l s ALA 33 CO -0.02 -1.63 -0.17 0.95 0.00 0.00 0.00 175.76 174.89 1x9l s THR 34 N 4.60 2.89 0.01 0.00 -4.23 -0.49 -1.42 115.64 116.99 1x9l s THR 34 Ca 0.75 -1.46 0.05 0.00 -1.18 0.00 0.00 61.69 59.85 1x9l s THR 34 Cb -0.31 -2.32 -0.02 0.00 1.34 0.00 0.00 72.50 71.19 1x9l s THR 34 CO 0.30 0.12 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.65 1x9l s VAL 35 N -1.13 1.27 -0.15 2.29 1.01 0.06 -0.50 120.40 123.25 1x9l s VAL 35 Ca 0.18 -0.83 -0.29 0.00 0.00 0.00 0.00 61.98 61.04 1x9l s VAL 35 Cb -0.11 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.16 1x9l s VAL 35 CO 0.10 0.24 1.39 0.00 0.00 0.00 0.00 175.10 176.83 1x9l s ALA 36 N -0.55 3.61 -0.95 5.51 0.00 -0.86 -0.24 121.76 128.28 1x9l s ALA 36 Ca 0.05 0.57 -0.25 0.00 0.00 0.00 0.00 51.96 52.33 1x9l s ALA 36 Cb -0.07 -3.68 -0.13 0.00 0.00 0.00 0.00 23.12 19.25 1x9l s ALA 36 CO 0.00 -1.31 2.15 0.00 0.00 0.00 0.00 175.76 176.61 1x9l s ALA 37 N 3.79 1.03 -0.64 0.00 0.00 -1.26 -4.27 121.76 120.42 1x9l s ALA 37 Ca 0.61 -1.34 -0.16 0.00 0.00 0.00 0.00 51.96 51.07 1x9l s ALA 37 Cb -0.25 -4.62 0.02 0.00 0.00 0.00 0.00 23.12 18.28 1x9l s ALA 37 CO 0.20 -5.80 0.64 0.28 0.00 0.00 0.00 175.76 171.07 1x9l n VAL 38 N 8.49 -5.44 -1.41 0.00 0.31 -1.26 -4.50 118.33 114.52 1x9l n VAL 38 Ca 0.44 0.10 -0.29 0.00 -0.01 0.00 0.00 64.34 64.58 1x9l n VAL 38 Cb 0.45 -4.24 0.15 0.00 -0.91 0.00 0.00 33.84 29.30 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 -3.54 0.82 -0.99 5.55 0.04 -1.26 -4.82 135.00 130.80 1x9l s PRO 39 Ca 0.16 0.34 -0.25 0.00 0.04 0.00 0.00 61.00 61.29 1x9l s PRO 39 Cb -0.02 -1.80 -0.17 0.00 0.04 0.00 0.00 34.50 32.55 1x9l s PRO 39 CO 0.85 -2.43 1.95 -0.35 0.04 0.00 0.00 177.00 177.07 1x9l n PRO 40 N -3.93 1.01 0.00 0.56 -0.04 -1.26 -2.11 135.00 129.22 1x9l n PRO 40 Ca 0.06 -2.03 0.00 0.00 -0.04 0.00 0.00 63.50 61.49 1x9l n PRO 40 Cb 0.59 -3.57 0.00 0.00 -0.04 0.00 0.00 33.50 30.48 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 14.57 0.00 -0.93 3.54 2.88 -1.26 -5.08 113.62 127.34 1x9l n SER 41 Ca 0.45 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 58.10 1x9l n SER 41 Cb 0.45 0.39 -0.06 0.00 -0.75 0.00 0.00 64.21 64.24 1x9l n SER 41 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1x9l n ILE 42 N -2.41 -0.48 0.00 2.46 0.00 -0.90 -4.84 119.36 113.19 1x9l n ILE 42 Ca 0.00 0.55 0.00 0.00 0.00 0.00 0.00 62.75 63.30 1x9l n ILE 42 Cb 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 39.64 38.78 1x9l n ILE 42 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 1x9l n ARG 43 N -3.54 0.00 -3.63 9.51 0.63 -1.26 -4.87 116.66 113.50 1x9l n ARG 43 Ca -0.05 0.00 -0.27 0.00 -0.92 0.00 0.00 57.85 56.61 1x9l n ARG 43 Cb 0.44 0.00 -0.03 0.00 0.45 0.00 0.00 32.46 33.32 1x9l n ARG 43 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 1x9l s ASP 44 N 0.00 6.38 0.19 6.15 1.01 -1.26 0.41 116.67 129.55 1x9l s ASP 44 Ca 0.00 0.42 -0.12 0.00 0.71 0.00 0.00 52.55 53.55 1x9l s ASP 44 Cb 0.00 -2.02 0.05 0.00 1.01 0.00 0.00 42.92 41.96 1x9l s ASP 44 CO 0.00 -0.09 0.62 1.07 0.21 0.00 0.00 175.17 176.98 1x9l n THR 45 N -0.89 0.00 -3.68 -1.27 5.66 -1.23 -4.54 114.28 108.32 1x9l n THR 45 Ca -0.05 -0.52 -0.13 0.00 -3.05 0.00 0.00 64.05 60.30 1x9l n THR 45 Cb 0.54 0.60 -0.07 0.00 -1.55 0.00 0.00 70.33 69.85 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 -0.98 0.25 1.79 0.00 -1.26 -0.88 121.76 118.97 1x9l s ALA 46 Ca 0.13 0.32 -0.11 0.00 0.00 0.00 0.00 51.96 52.31 1x9l s ALA 46 Cb -0.03 0.29 -0.08 0.00 0.00 0.00 0.00 23.12 23.31 1x9l s ALA 46 CO 0.06 -0.42 0.60 0.00 0.00 0.00 0.00 175.76 175.99 1x9l s ALA 47 N -2.28 3.50 -0.12 0.00 0.00 -0.44 -2.03 121.76 120.40 1x9l s ALA 47 Ca -0.07 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 51.71 1x9l s ALA 47 Cb -0.01 -2.52 0.02 0.00 0.00 0.00 0.00 23.12 20.61 1x9l s ALA 47 CO -0.01 0.46 -0.15 0.71 0.00 0.00 0.00 175.76 176.77 1x9l s TYR 48 N -1.86 2.04 0.09 0.00 2.02 0.34 -4.17 117.35 115.81 1x9l s TYR 48 Ca 0.49 -1.02 -0.04 0.00 -0.37 0.00 0.00 57.07 56.14 1x9l s TYR 48 Cb -0.11 -1.48 0.01 0.00 -0.40 0.00 0.00 41.96 39.99 1x9l s TYR 48 CO 0.20 -0.54 0.20 0.00 -1.57 0.00 0.00 175.55 173.84 1x9l n MET 49 N 4.38 0.27 -3.68 -0.62 0.00 -1.07 -1.40 117.12 114.99 1x9l n MET 49 Ca -0.18 -0.53 -0.15 0.00 0.00 0.00 0.00 57.70 56.84 1x9l n MET 49 Cb 0.51 0.66 -0.14 0.00 0.00 0.00 0.00 33.22 34.25 1x9l n MET 49 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 1x9l s THR 50 N -2.76 -0.25 -0.66 3.17 2.01 -1.26 -0.07 115.64 115.83 1x9l s THR 50 Ca 0.04 0.28 -0.27 0.00 0.31 0.00 0.00 61.69 62.06 1x9l s THR 50 Cb -0.01 -0.34 0.03 0.00 0.01 0.00 0.00 72.50 72.19 1x9l s THR 50 CO 0.03 0.12 1.18 -0.76 -0.69 0.00 0.00 174.62 174.50 1x9l s LEU 51 N 2.05 3.48 -0.78 4.42 1.02 0.20 -3.72 118.68 125.35 1x9l s LEU 51 Ca -0.01 -0.29 -0.18 0.00 0.02 0.00 0.00 54.13 53.67 1x9l s LEU 51 Cb -0.12 -2.79 0.13 0.00 0.02 0.00 0.00 46.19 43.43 1x9l s LEU 51 CO -0.07 -1.61 0.93 -0.89 0.02 0.00 0.00 176.35 174.72 1x9l s THR 52 N 5.12 4.85 -0.98 5.49 2.01 -1.26 -2.16 115.64 128.71 1x9l s THR 52 Ca 0.36 -1.40 -0.07 0.00 0.31 0.00 0.00 61.69 60.88 1x9l s THR 52 Cb -0.09 -4.63 -0.09 0.00 0.01 0.00 0.00 72.50 67.69 1x9l s THR 52 CO 0.19 -1.31 3.04 -3.20 -0.69 0.00 0.00 174.62 172.65 1x9l n ASN 53 N 6.21 7.39 -4.53 3.53 2.85 -0.41 -4.00 115.26 126.30 1x9l n ASN 53 Ca 0.09 -2.71 -0.43 0.00 -0.11 0.00 0.00 54.58 51.43 1x9l n ASN 53 Cb 0.46 -1.45 -0.07 0.00 1.24 0.00 0.00 39.78 39.96 1x9l n ASN 53 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1x9l s LYS 54 N 0.86 3.37 0.00 1.20 2.47 -1.26 -1.25 119.74 125.12 1x9l s LYS 54 Ca 0.65 -0.29 0.00 0.00 -1.56 0.00 0.00 55.97 54.77 1x9l s LYS 54 Cb 0.24 -3.92 0.00 0.00 -1.46 0.00 0.00 37.83 32.69 1x9l s LYS 54 CO -0.07 -0.94 0.00 0.43 0.16 0.00 0.00 175.35 174.93 1x9l n SER 55 N 6.20 0.00 -1.78 1.43 7.64 -1.26 -4.21 113.62 121.64 1x9l n SER 55 Ca -0.02 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.84 1x9l n SER 55 Cb 0.48 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.69 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 -2.78 -3.79 6.43 9.92 -0.38 -4.96 116.55 120.99 1x9l n ASP 56 Ca 0.00 -0.10 -0.13 0.00 -0.53 0.00 0.00 54.79 54.04 1x9l n ASP 56 Cb 0.00 -1.33 -0.13 0.00 -0.64 0.00 0.00 41.12 39.02 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 -3.19 0.20 -0.88 -1.24 -1.52 -1.26 -4.47 119.66 107.30 1x9l s GLN 57 Ca 0.06 0.30 -0.25 0.00 -1.95 0.00 0.00 55.36 53.53 1x9l s GLN 57 Cb -0.01 0.04 0.00 0.00 -0.22 0.00 0.00 33.01 32.82 1x9l s GLN 57 CO 0.12 -0.06 1.67 -1.25 -0.25 0.00 0.00 175.29 175.52 1x9l s PRO 58 N 0.38 3.01 -0.24 2.91 0.04 -1.26 -3.94 135.00 135.90 1x9l s PRO 58 Ca -0.02 -0.44 0.02 0.00 0.04 0.00 0.00 61.00 60.60 1x9l s PRO 58 Cb -0.04 -4.95 0.05 0.00 0.04 0.00 0.00 34.50 29.61 1x9l s PRO 58 CO -0.02 -2.71 -0.12 0.42 0.04 0.00 0.00 177.00 174.61 1x9l s ILE 59 N 7.58 2.06 0.75 0.56 1.09 -1.20 -4.90 121.20 127.15 1x9l s ILE 59 Ca 0.57 -1.44 -0.10 0.00 -1.10 0.00 0.00 60.65 58.58 1x9l s ILE 59 Cb -0.05 -2.13 0.06 0.00 -1.06 0.00 0.00 42.46 39.28 1x9l s ILE 59 CO 0.01 0.08 1.11 -1.59 -0.10 0.00 0.00 174.94 174.45 1x9l s LYS 60 N 1.18 2.24 -0.06 2.79 0.00 -1.26 -4.43 119.74 120.20 1x9l s LYS 60 Ca -0.06 0.09 0.01 0.00 0.00 0.00 0.00 55.97 56.01 1x9l s LYS 60 Cb -0.18 -2.03 0.02 0.00 0.00 0.00 0.00 37.83 35.63 1x9l s LYS 60 CO -0.07 -1.36 -0.06 -1.17 0.00 0.00 0.00 175.35 172.70 1x9l s LEU 61 N -5.43 1.30 -0.37 2.77 1.98 -1.25 -4.88 118.68 112.81 1x9l s LEU 61 Ca 0.60 -0.17 0.13 0.00 -2.89 0.00 0.00 54.13 51.80 1x9l s LEU 61 Cb -0.11 -0.56 0.38 0.00 0.66 0.00 0.00 46.19 46.56 1x9l s LEU 61 CO 0.48 -0.06 0.90 0.55 -1.89 0.00 0.00 176.35 176.34 1x9l n VAL 62 N 4.20 0.21 -3.56 1.68 3.14 -1.26 -4.32 118.33 118.43 1x9l n VAL 62 Ca -0.21 -3.45 -0.16 0.00 -2.96 0.00 0.00 64.34 57.56 1x9l n VAL 62 Cb 0.51 0.36 -0.06 0.00 -1.06 0.00 0.00 33.84 33.59 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 -2.37 -0.51 -0.47 7.55 0.00 -1.25 -4.42 107.32 105.84 1x9l s GLY 63 Ca 0.32 1.63 0.06 0.00 0.00 0.00 0.00 44.72 46.73 1x9l s GLY 63 CO -0.04 1.19 0.91 0.00 0.00 0.00 0.00 173.10 175.16 1x9l n ALA 64 N 1.36 -0.74 -2.03 3.20 0.00 -1.25 -4.26 120.51 116.78 1x9l n ALA 64 Ca -0.17 -1.69 -0.36 0.00 0.00 0.00 0.00 53.44 51.22 1x9l n ALA 64 Cb 0.57 -1.22 -0.06 0.00 0.00 0.00 0.00 19.45 18.73 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 0.27 3.36 -0.16 0.00 0.00 0.17 -4.80 121.76 120.60 1x9l s ALA 65 Ca 0.30 0.23 -0.30 0.00 0.00 0.00 0.00 51.96 52.19 1x9l s ALA 65 Cb 0.25 -2.89 0.13 0.00 0.00 0.00 0.00 23.12 20.61 1x9l s ALA 65 CO -0.18 0.29 1.05 -0.08 0.00 0.00 0.00 175.76 176.84 1x9l s THR 66 N -1.59 0.00 0.00 0.00 -1.32 -1.26 -0.31 115.64 111.15 1x9l s THR 66 Ca 0.46 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.91 1x9l s THR 66 Cb -0.16 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 69.73 1x9l s THR 66 CO 0.21 0.00 2.00 -0.81 -2.21 0.00 0.00 174.62 173.81 1x9l n PRO 67 N 0.56 1.01 0.00 7.08 -0.04 -1.26 -3.97 135.00 138.38 1x9l n PRO 67 Ca -0.08 -0.37 0.00 0.00 -0.04 0.00 0.00 63.50 63.01 1x9l n PRO 67 Cb 0.58 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 2.26 0.00 -4.77 1.53 0.00 -1.26 -4.91 117.00 109.85 1x9l n LEU 68 Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 56.01 55.78 1x9l n LEU 68 Cb 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 43.42 43.89 1x9l n LEU 68 CO 0.10 -0.14 0.90 0.00 0.00 0.00 0.00 177.39 178.25 1x9l s ALA 69 N -2.00 3.19 -0.14 1.96 0.00 -1.25 -3.31 121.76 120.20 1x9l s ALA 69 Ca 0.00 1.10 0.17 0.00 0.00 0.00 0.00 51.96 53.23 1x9l s ALA 69 Cb 0.00 -3.44 -0.24 0.00 0.00 0.00 0.00 23.12 19.44 1x9l s ALA 69 CO 0.00 -0.70 0.30 2.41 0.00 0.00 0.00 175.76 177.77 1x9l n THR 70 N 0.05 1.37 -3.26 0.00 -1.04 0.42 -4.69 114.28 107.12 1x9l n THR 70 Ca 0.04 -0.81 -0.26 0.00 -2.04 0.00 0.00 64.05 60.98 1x9l n THR 70 Cb 0.45 -0.61 -0.07 0.00 -1.82 0.00 0.00 70.33 68.28 1x9l n THR 70 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1x9l n SER 71 N -2.81 2.87 -4.58 8.00 2.88 0.47 -4.97 113.62 115.47 1x9l n SER 71 Ca -0.26 -3.29 -0.41 0.00 -1.33 0.00 0.00 58.87 53.58 1x9l n SER 71 Cb 1.08 -0.64 -0.03 0.00 -0.75 0.00 0.00 64.21 63.87 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 -2.37 3.10 -0.11 -1.46 0.04 -1.26 -2.54 135.00 130.40 1x9l s PRO 72 Ca 0.41 1.04 0.03 0.00 0.04 0.00 0.00 61.00 62.52 1x9l s PRO 72 Cb 0.19 -4.24 0.00 0.00 0.04 0.00 0.00 34.50 30.49 1x9l s PRO 72 CO -0.06 -2.15 -0.23 -1.64 0.04 0.00 0.00 177.00 172.96 1x9l s MET 73 N 6.08 2.97 0.14 4.56 -1.94 0.04 -4.93 119.30 126.22 1x9l s MET 73 Ca 0.72 -0.85 -0.28 0.00 -1.71 0.00 0.00 55.69 53.57 1x9l s MET 73 Cb -0.17 -2.29 -0.07 0.00 2.01 0.00 0.00 34.83 34.31 1x9l s MET 73 CO 0.29 0.12 0.88 -0.51 -0.01 0.00 0.00 175.02 175.78 1x9l s LEU 74 N 0.50 4.54 0.05 -0.03 1.43 -1.26 -0.06 118.68 123.85 1x9l s LEU 74 Ca -0.15 1.73 0.02 0.00 -1.03 0.00 0.00 54.13 54.70 1x9l s LEU 74 Cb -0.17 -3.47 -0.03 0.00 0.03 0.00 0.00 46.19 42.55 1x9l s LEU 74 CO 0.06 0.05 -0.07 -0.32 0.23 0.00 0.00 176.35 176.29 1x9l s MET 75 N -0.49 0.60 -0.22 1.70 1.75 -0.01 -1.19 119.30 121.43 1x9l s MET 75 Ca 0.42 -0.89 -0.03 0.00 -1.25 0.00 0.00 55.69 53.93 1x9l s MET 75 Cb -0.23 -0.26 0.11 0.00 2.84 0.00 0.00 34.83 37.29 1x9l s MET 75 CO 0.28 0.03 0.30 -0.08 -0.65 0.00 0.00 175.02 174.90 1x9l s THR 76 N -1.93 -0.46 -0.36 10.11 -1.32 -1.26 -0.83 115.64 119.59 1x9l s THR 76 Ca -0.05 -0.09 0.14 0.00 -1.21 0.00 0.00 61.69 60.48 1x9l s THR 76 Cb -0.06 -0.74 0.39 0.00 -1.51 0.00 0.00 72.50 70.58 1x9l s THR 76 CO -0.01 -0.16 0.85 1.07 -2.21 0.00 0.00 174.62 174.16 1x9l n THR 77 N 5.34 0.28 -3.68 5.08 5.66 -1.11 -1.26 114.28 124.60 1x9l n THR 77 Ca -0.05 -3.79 -0.27 0.00 -3.05 0.00 0.00 64.05 56.90 1x9l n THR 77 Cb 0.50 0.20 -0.17 0.00 -1.55 0.00 0.00 70.33 69.31 1x9l n THR 77 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1x9l s THR 78 N -2.50 0.22 0.26 1.09 2.01 0.86 -4.20 115.64 113.39 1x9l s THR 78 Ca 0.34 -0.33 -0.01 0.00 0.31 0.00 0.00 61.69 61.99 1x9l s THR 78 Cb 0.39 -0.79 0.24 0.00 0.01 0.00 0.00 72.50 72.35 1x9l s THR 78 CO -0.03 -0.22 1.76 0.45 -0.69 0.00 0.00 174.62 175.89 1x9l h HIS 79 N 8.33 0.75 -0.08 4.92 3.86 -1.93 0.19 115.15 131.19 1x9l h HIS 79 Ca -0.16 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 1x9l h HIS 79 Cb 1.13 -0.21 0.00 0.00 1.06 0.00 0.00 27.41 29.40 1x9l h HIS 79 CO 0.23 0.18 0.00 -1.13 0.86 0.00 0.00 177.93 178.07 1x9l n SER 80 N -4.87 1.21 0.00 2.45 3.41 -1.26 -4.82 113.62 109.73 1x9l n SER 80 Ca 0.17 -2.08 0.00 0.00 -0.26 0.00 0.00 58.87 56.70 1x9l n SER 80 Cb 0.43 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 1x9l n SER 80 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x9l n GLY 81 N 0.27 5.42 0.07 5.00 0.00 0.67 -4.78 105.19 111.84 1x9l n GLY 81 Ca 0.03 -1.28 -0.03 0.00 0.00 0.00 0.00 46.02 44.74 1x9l n GLY 81 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1x9l h GLY 82 N 0.00 -0.18 -2.46 -0.02 0.00 -1.74 -3.48 103.07 95.19 1x9l h GLY 82 Ca 0.00 0.07 -0.17 0.00 0.00 0.00 0.00 47.33 47.23 1x9l h GLY 82 CO 0.00 -0.06 -0.42 1.06 0.00 0.00 0.00 176.54 177.11 1x9l s MET 83 N -3.17 1.33 -0.55 4.80 1.00 -1.25 -4.83 119.30 116.62 1x9l s MET 83 Ca -0.02 -1.48 0.04 0.00 0.00 0.00 0.00 55.69 54.23 1x9l s MET 83 Cb 0.00 0.35 0.38 0.00 0.00 0.00 0.00 34.83 35.56 1x9l s MET 83 CO 0.07 -0.49 1.14 0.00 0.00 0.00 0.00 175.02 175.75 1x9l n ALA 84 N -0.31 5.06 -2.86 3.03 0.00 -1.26 -0.10 120.51 124.07 1x9l n ALA 84 Ca 0.00 -4.48 -0.10 0.00 0.00 0.00 0.00 53.44 48.86 1x9l n ALA 84 Cb 0.64 -0.79 0.01 0.00 0.00 0.00 0.00 19.45 19.31 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 -0.37 0.29 3.52 0.00 0.00 -0.39 -4.86 105.19 103.38 1x9l n GLY 85 Ca 0.37 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.99 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 2.26 0.45 -3.80 1.61 1.56 -1.03 -4.55 117.12 113.62 1x9l n MET 86 Ca 0.16 -0.07 -0.09 0.00 -0.27 0.00 0.00 57.70 57.43 1x9l n MET 86 Cb 0.58 -2.39 -0.04 0.00 2.15 0.00 0.00 33.22 33.52 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 8.55 1.48 0.05 2.12 -2.85 -1.26 -5.01 119.74 122.82 1x9l s LYS 87 Ca 1.17 -0.95 -0.29 0.00 -1.00 0.00 0.00 55.97 54.90 1x9l s LYS 87 Cb -0.71 0.53 -0.05 0.00 -2.06 0.00 0.00 37.83 35.54 1x9l s LYS 87 CO 0.38 -0.64 0.94 -1.64 0.10 0.00 0.00 175.35 174.48 1x9l s MET 88 N -3.91 4.61 0.23 1.78 -1.94 -1.26 -4.10 119.30 114.72 1x9l s MET 88 Ca 0.12 1.37 0.01 0.00 -1.71 0.00 0.00 55.69 55.48 1x9l s MET 88 Cb -0.02 -3.41 -0.05 0.00 2.01 0.00 0.00 34.83 33.36 1x9l s MET 88 CO 0.01 0.11 0.07 0.14 -0.01 0.00 0.00 175.02 175.34 1x9l s VAL 89 N 0.42 0.59 0.18 -6.03 -7.23 -0.33 -5.02 120.40 102.97 1x9l s VAL 89 Ca 0.48 -1.99 -0.20 0.00 -1.81 0.00 0.00 61.98 58.45 1x9l s VAL 89 Cb -0.22 -2.47 0.11 0.00 0.56 0.00 0.00 36.38 34.36 1x9l s VAL 89 CO 0.28 -0.15 1.37 -0.81 -0.31 0.00 0.00 175.10 175.48 1x9l n PRO 90 N -0.39 -0.28 -2.85 4.82 -0.04 -1.26 -4.23 135.00 130.77 1x9l n PRO 90 Ca -0.02 1.35 0.00 0.00 -0.04 0.00 0.00 63.50 64.80 1x9l n PRO 90 Cb 0.65 -2.00 0.00 0.00 -0.04 0.00 0.00 33.50 32.11 1x9l n PRO 90 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1x9l n TRP 91 N -5.23 0.00 -4.79 0.54 -0.00 -1.26 -4.78 117.44 101.92 1x9l n TRP 91 Ca 0.06 0.00 -0.26 0.00 -0.00 0.00 0.00 57.50 57.30 1x9l n TRP 91 Cb 0.31 0.00 -0.15 0.00 -0.00 0.00 0.00 31.31 31.47 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 2.11 -0.11 5.67 -0.00 -1.26 -4.87 118.68 120.22 1x9l s LEU 92 Ca 0.00 -0.45 -0.01 0.00 -0.00 0.00 0.00 54.13 53.67 1x9l s LEU 92 Cb 0.00 -1.00 -0.03 0.00 -0.00 0.00 0.00 46.19 45.16 1x9l s LEU 92 CO 0.00 0.20 -0.07 -0.89 -0.00 0.00 0.00 176.35 175.59 1x9l s THR 93 N -0.66 3.68 -0.03 5.48 2.01 -1.26 -3.82 115.64 121.04 1x9l s THR 93 Ca 0.08 -0.46 0.07 0.00 0.31 0.00 0.00 61.69 61.68 1x9l s THR 93 Cb -0.08 -2.55 -0.02 0.00 0.01 0.00 0.00 72.50 69.86 1x9l s THR 93 CO 0.01 0.55 -0.23 0.27 -0.69 0.00 0.00 174.62 174.52 1x9l s ILE 94 N -0.22 1.86 0.92 1.82 -5.25 -1.26 -4.28 121.20 114.79 1x9l s ILE 94 Ca 0.03 -1.00 -0.14 0.00 -0.99 0.00 0.00 60.65 58.55 1x9l s ILE 94 Cb -0.13 -1.55 0.17 0.00 2.95 0.00 0.00 42.46 43.90 1x9l s ILE 94 CO 0.03 0.53 1.27 -2.16 -1.79 0.00 0.00 174.94 172.81 1x9l s PRO 95 N -0.45 0.96 0.05 0.37 0.04 -1.26 -3.27 135.00 131.44 1x9l s PRO 95 Ca 0.06 -0.36 -0.38 0.00 0.04 0.00 0.00 61.00 60.36 1x9l s PRO 95 Cb -0.10 -1.90 -0.18 0.00 0.04 0.00 0.00 34.50 32.36 1x9l s PRO 95 CO 0.00 -2.19 1.27 0.00 0.04 0.00 0.00 177.00 176.11 1x9l n ALA 96 N -3.62 -1.79 -2.10 8.56 0.00 -1.25 -1.04 120.51 119.27 1x9l n ALA 96 Ca 0.14 0.54 -0.20 0.00 0.00 0.00 0.00 53.44 53.92 1x9l n ALA 96 Cb 0.60 -1.98 -0.04 0.00 0.00 0.00 0.00 19.45 18.03 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 2.27 -1.63 -1.75 0.00 1.85 -1.25 -4.76 116.66 111.39 1x9l n ARG 97 Ca 0.19 1.06 -0.39 0.00 -1.00 0.00 0.00 57.85 57.70 1x9l n ARG 97 Cb 0.15 -5.61 0.03 0.00 -1.05 0.00 0.00 32.46 25.99 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 -0.76 0.87 2.44 2.89 0.00 -0.20 -4.80 105.19 105.62 1x9l n GLY 98 Ca -0.23 0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 1x9l n GLY 98 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1x9l n THR 99 N -0.68 1.25 -2.72 2.61 -1.04 -1.25 -1.28 114.28 111.17 1x9l n THR 99 Ca 0.08 -4.88 -0.42 0.00 -2.04 0.00 0.00 64.05 56.79 1x9l n THR 99 Cb 0.43 -1.50 -0.03 0.00 -1.82 0.00 0.00 70.33 67.41 1x9l n THR 99 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 1x9l s LEU 100 N -2.40 4.35 -0.44 -4.42 2.96 -0.92 -4.88 118.68 112.93 1x9l s LEU 100 Ca 0.41 1.62 0.03 0.00 -0.22 0.00 0.00 54.13 55.97 1x9l s LEU 100 Cb 0.23 -3.55 0.12 0.00 0.50 0.00 0.00 46.19 43.49 1x9l s LEU 100 CO -0.08 -0.29 0.19 -0.89 -1.32 0.00 0.00 176.35 173.96 1x9l s THR 101 N 1.17 2.07 -0.17 3.68 2.01 -1.26 -0.63 115.64 122.50 1x9l s THR 101 Ca 0.51 -2.71 -0.29 0.00 0.31 0.00 0.00 61.69 59.50 1x9l s THR 101 Cb -0.20 -2.47 -0.00 0.00 0.01 0.00 0.00 72.50 69.84 1x9l s THR 101 CO 0.26 -0.76 1.03 -0.76 -0.69 0.00 0.00 174.62 173.70 1x9l s LEU 102 N 0.34 4.17 0.04 4.42 1.02 0.90 -4.72 118.68 124.85 1x9l s LEU 102 Ca 0.15 1.46 -0.17 0.00 0.02 0.00 0.00 54.13 55.59 1x9l s LEU 102 Cb -0.23 -3.55 0.03 0.00 0.02 0.00 0.00 46.19 42.46 1x9l s LEU 102 CO -0.04 -0.57 0.37 0.00 0.02 0.00 0.00 176.35 176.12 1x9l s GLN 103 N 2.67 0.86 0.00 1.70 -2.07 0.59 -2.60 119.66 120.82 1x9l s GLN 103 Ca 0.46 -0.39 0.04 0.00 -1.82 0.00 0.00 55.36 53.65 1x9l s GLN 103 Cb -0.17 0.38 0.18 0.00 -1.09 0.00 0.00 33.01 32.32 1x9l s GLN 103 CO 0.12 -0.29 1.07 -2.13 -1.32 0.00 0.00 175.29 172.74 1x9l n ARG 104 N 0.60 0.02 -2.50 9.60 0.63 -1.26 -0.98 116.66 122.77 1x9l n ARG 104 Ca -0.19 0.37 0.00 0.00 -0.92 0.00 0.00 57.85 57.11 1x9l n ARG 104 Cb 0.59 -1.50 0.05 0.00 0.45 0.00 0.00 32.46 32.05 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 -1.43 1.07 -2.72 6.15 -0.08 -1.26 -4.95 116.55 113.34 1x9l n ASP 105 Ca 0.01 -2.04 -0.07 0.00 -1.51 0.00 0.00 54.79 51.19 1x9l n ASP 105 Cb 0.04 -0.30 0.08 0.00 2.34 0.00 0.00 41.12 43.28 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 -0.46 -0.31 0.94 0.27 0.00 -0.15 -4.91 105.19 100.57 1x9l n GLY 106 Ca 0.03 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.41 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 1.00 -5.63 -3.59 1.61 -0.08 -1.24 -3.74 116.55 104.86 1x9l n ASP 107 Ca 0.04 0.70 0.02 0.00 -1.51 0.00 0.00 54.79 54.04 1x9l n ASP 107 Cb 0.69 -2.17 -0.00 0.00 2.34 0.00 0.00 41.12 41.97 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 -2.00 -0.03 -0.34 -0.67 -3.43 -0.01 -0.30 115.29 108.52 1x9l s HIS 108 Ca 0.00 -0.04 -0.14 0.00 -0.80 0.00 0.00 55.06 54.09 1x9l s HIS 108 Cb 0.00 0.53 -0.02 0.00 -1.43 0.00 0.00 32.58 31.66 1x9l s HIS 108 CO 0.00 -0.17 0.28 0.08 -2.00 0.00 0.00 174.74 172.93 1x9l s VAL 109 N -2.27 5.25 -0.82 -5.38 1.01 -1.26 -0.83 120.40 116.10 1x9l s VAL 109 Ca 0.14 -0.09 -0.23 0.00 0.00 0.00 0.00 61.98 61.80 1x9l s VAL 109 Cb 0.06 -3.74 0.06 0.00 0.00 0.00 0.00 36.38 32.76 1x9l s VAL 109 CO -0.05 -0.02 1.21 -0.04 0.00 0.00 0.00 175.10 176.19 1x9l s MET 110 N 1.83 3.33 -1.49 2.72 -1.94 0.91 -1.33 119.30 123.34 1x9l s MET 110 Ca 0.08 -0.87 -0.11 0.00 -1.71 0.00 0.00 55.69 53.08 1x9l s MET 110 Cb -0.17 -4.60 0.01 0.00 2.01 0.00 0.00 34.83 32.08 1x9l s MET 110 CO 0.11 -2.01 2.48 1.28 -0.01 0.00 0.00 175.02 176.87 1x9l n LEU 111 N 8.33 7.67 -4.89 -0.03 4.77 -0.06 -0.78 117.00 132.02 1x9l n LEU 111 Ca 0.12 -4.34 -0.29 0.00 -0.03 0.00 0.00 56.01 51.46 1x9l n LEU 111 Cb 0.48 -1.58 0.02 0.00 -2.33 0.00 0.00 43.42 40.02 1x9l n LEU 111 CO 0.64 1.59 0.64 -0.04 -1.33 0.00 0.00 177.39 178.89 1x9l s MET 112 N 2.14 3.20 -0.00 3.23 -1.94 -1.05 -3.56 119.30 121.31 1x9l s MET 112 Ca 0.55 0.40 -0.00 0.00 -1.71 0.00 0.00 55.69 54.93 1x9l s MET 112 Cb 0.15 -2.15 -0.00 0.00 2.01 0.00 0.00 34.83 34.84 1x9l s MET 112 CO -0.07 -0.69 0.00 0.41 -0.01 0.00 0.00 175.02 174.66 1x9l n GLY 113 N -2.72 -0.26 3.57 -0.03 0.00 0.16 -0.40 105.19 105.53 1x9l n GLY 113 Ca 0.05 -0.20 -0.14 0.00 0.00 0.00 0.00 46.02 45.73 1x9l n GLY 113 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x9l s LEU 114 N -2.03 2.46 0.17 0.99 2.01 0.24 -1.05 118.68 121.47 1x9l s LEU 114 Ca 0.00 -0.72 -0.15 0.00 0.01 0.00 0.00 54.13 53.27 1x9l s LEU 114 Cb -0.00 -2.59 0.11 0.00 0.01 0.00 0.00 46.19 43.73 1x9l s LEU 114 CO 0.00 -4.61 1.75 0.07 1.01 0.00 0.00 176.35 174.57 1x9l h LYS 115 N 11.90 0.29 -6.39 1.70 2.10 -1.89 -3.39 116.57 120.89 1x9l h LYS 115 Ca 0.01 -0.02 -0.61 0.00 -2.00 0.00 0.00 60.65 58.03 1x9l h LYS 115 Cb 1.00 -0.07 -0.13 0.00 -0.90 0.00 0.00 32.23 32.13 1x9l h LYS 115 CO 1.01 0.19 -0.71 1.03 -2.00 0.00 0.00 179.45 178.97 1x9l s ARG 116 N -6.15 2.11 1.05 0.07 3.00 -1.26 -5.16 118.95 112.61 1x9l s ARG 116 Ca -0.13 -1.29 -0.15 0.00 0.00 0.00 0.00 55.73 54.15 1x9l s ARG 116 Cb 0.13 -2.16 0.21 0.00 0.00 0.00 0.00 34.95 33.13 1x9l s ARG 116 CO 0.72 0.42 1.14 -1.25 0.00 0.00 0.00 175.30 176.33 1x9l s PRO 117 N -2.99 0.03 0.38 3.54 0.04 -1.26 -5.00 135.00 129.74 1x9l s PRO 117 Ca 0.26 0.11 0.04 0.00 0.04 0.00 0.00 61.00 61.45 1x9l s PRO 117 Cb -0.08 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 1x9l s PRO 117 CO 0.16 -2.91 0.10 -0.51 0.04 0.00 0.00 177.00 173.88 1x9l s LEU 118 N -6.45 2.03 0.09 -3.56 1.43 -1.26 -5.13 118.68 105.84 1x9l s LEU 118 Ca 0.68 -1.58 0.07 0.00 -1.03 0.00 0.00 54.13 52.27 1x9l s LEU 118 Cb -0.12 -0.19 -0.03 0.00 0.03 0.00 0.00 46.19 45.87 1x9l s LEU 118 CO 0.55 -0.83 -0.18 -0.75 0.23 0.00 0.00 176.35 175.37 1x9l s LYS 119 N -3.78 1.01 0.19 1.70 2.20 -1.26 -4.85 119.74 114.95 1x9l s LYS 119 Ca 0.27 -1.09 -0.30 0.00 -0.36 0.00 0.00 55.97 54.49 1x9l s LYS 119 Cb 0.04 -1.16 -0.09 0.00 -1.51 0.00 0.00 37.83 35.12 1x9l s LYS 119 CO 0.14 0.26 1.30 0.08 -0.36 0.00 0.00 175.35 176.78 1x9l s VAL 120 N -1.26 3.24 0.00 4.02 1.01 -1.26 -3.04 120.40 123.11 1x9l s VAL 120 Ca 0.04 1.01 0.00 0.00 0.00 0.00 0.00 61.98 63.03 1x9l s VAL 120 Cb -0.10 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.63 1x9l s VAL 120 CO 0.04 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.89 1x9l n GLY 121 N 2.40 0.50 0.00 4.51 0.00 0.72 -5.01 105.19 108.30 1x9l n GLY 121 Ca 0.06 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.30 -0.06 -3.02 1.61 2.13 -1.17 -4.89 120.64 113.93 1x9l n GLU 122 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 1x9l n GLU 122 Cb 0.39 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.07 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 -0.94 -0.67 -0.15 6.31 2.01 -1.26 -3.42 115.64 117.52 1x9l s THR 123 Ca 0.00 -1.16 -0.20 0.00 0.31 0.00 0.00 61.69 60.64 1x9l s THR 123 Cb 0.00 -0.32 -0.03 0.00 0.01 0.00 0.00 72.50 72.16 1x9l s THR 123 CO 0.00 -0.31 0.58 -0.69 -0.69 0.00 0.00 174.62 173.52 1x9l s VAL 124 N 0.93 5.08 0.56 3.82 1.01 0.19 -4.81 120.40 127.18 1x9l s VAL 124 Ca 0.27 1.13 -0.19 0.00 0.00 0.00 0.00 61.98 63.19 1x9l s VAL 124 Cb -0.02 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.40 1x9l s VAL 124 CO -0.08 0.20 1.12 0.20 0.00 0.00 0.00 175.10 176.54 1x9l s ASN 125 N 0.97 5.69 0.06 3.32 -0.87 -1.26 -0.22 114.94 122.62 1x9l s ASN 125 Ca 0.29 2.12 0.05 0.00 -1.57 0.00 0.00 52.86 53.75 1x9l s ASN 125 Cb -0.16 -2.57 -0.03 0.00 -0.02 0.00 0.00 41.25 38.47 1x9l s ASN 125 CO 0.12 -1.24 -0.15 -0.51 -2.57 0.00 0.00 177.10 172.75 1x9l s ILE 126 N -1.89 1.16 -0.18 0.60 2.07 0.08 -4.29 121.20 118.75 1x9l s ILE 126 Ca 0.71 -1.23 0.01 0.00 -1.41 0.00 0.00 60.65 58.73 1x9l s ILE 126 Cb -0.23 -1.09 0.03 0.00 0.13 0.00 0.00 42.46 41.30 1x9l s ILE 126 CO 0.29 -0.14 -0.14 -0.89 -1.91 0.00 0.00 174.94 172.15 1x9l s THR 127 N -1.13 1.74 0.38 4.00 2.01 0.57 -0.42 115.64 122.80 1x9l s THR 127 Ca -0.00 -0.89 -0.05 0.00 0.31 0.00 0.00 61.69 61.06 1x9l s THR 127 Cb -0.09 -1.69 -0.05 0.00 0.01 0.00 0.00 72.50 70.68 1x9l s THR 127 CO 0.02 0.35 0.67 -1.48 -0.69 0.00 0.00 174.62 173.49 1x9l s LEU 128 N 1.39 3.88 -0.44 4.42 0.05 0.17 -0.66 118.68 127.49 1x9l s LEU 128 Ca 0.02 0.83 0.07 0.00 0.05 0.00 0.00 54.13 55.10 1x9l s LEU 128 Cb -0.14 -3.71 0.18 0.00 -2.05 0.00 0.00 46.19 40.47 1x9l s LEU 128 CO -0.10 -0.37 0.61 -0.75 -0.55 0.00 0.00 176.35 175.20 1x9l s LYS 129 N -4.08 0.89 0.52 1.48 2.36 -1.23 -1.44 119.74 118.23 1x9l s LYS 129 Ca 0.46 -0.70 -0.11 0.00 -2.55 0.00 0.00 55.97 53.07 1x9l s LYS 129 Cb -0.10 -0.14 -0.05 0.00 -1.05 0.00 0.00 37.83 36.49 1x9l s LYS 129 CO 0.35 -1.25 0.92 0.00 1.55 0.00 0.00 175.35 176.92 1x9l s ALA 130 N 1.38 3.20 0.46 3.13 0.00 0.21 -3.90 121.76 126.24 1x9l s ALA 130 Ca 0.22 -0.13 0.19 0.00 0.00 0.00 0.00 51.96 52.23 1x9l s ALA 130 Cb -0.04 -2.91 1.17 0.00 0.00 0.00 0.00 23.12 21.34 1x9l s ALA 130 CO -0.06 -0.37 1.94 0.00 0.00 0.00 0.00 175.76 177.27 1x9l h THR 131 N 0.37 0.77 0.00 0.00 1.03 -1.89 0.18 112.91 113.37 1x9l h THR 131 Ca -0.46 -0.09 0.00 0.00 -0.01 0.00 0.00 66.41 65.85 1x9l h THR 131 Cb 1.19 0.47 0.00 0.00 -1.07 0.00 0.00 68.15 68.74 1x9l h THR 131 CO 0.62 0.05 0.00 0.47 -0.01 0.00 0.00 175.52 176.65 1x9l n ASP 132 N -4.44 0.00 0.00 0.00 9.92 -1.26 -4.79 116.55 115.98 1x9l n ASP 132 Ca 0.13 0.21 0.00 0.00 -0.53 0.00 0.00 54.79 54.60 1x9l n ASP 132 Cb 0.57 -0.29 0.00 0.00 -0.64 0.00 0.00 41.12 40.76 1x9l n ASP 132 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1x9l n GLY 133 N -0.82 0.75 3.55 0.44 0.00 0.63 -5.00 105.19 104.75 1x9l n GLY 133 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.51 3.33 -0.17 1.61 1.81 -1.14 -4.82 118.95 119.07 1x9l s ARG 134 Ca 0.00 -0.62 -0.00 0.00 -1.72 0.00 0.00 55.73 53.39 1x9l s ARG 134 Cb 0.00 -4.76 0.00 0.00 -0.45 0.00 0.00 34.95 29.75 1x9l s ARG 134 CO 0.00 -2.24 -0.15 0.99 -0.68 0.00 0.00 175.30 173.23 1x9l s THR 135 N 5.64 2.66 -0.18 0.02 2.01 -1.26 -0.62 115.64 123.91 1x9l s THR 135 Ca 0.42 -0.76 -0.20 0.00 0.31 0.00 0.00 61.69 61.46 1x9l s THR 135 Cb -0.04 -2.13 0.05 0.00 0.01 0.00 0.00 72.50 70.39 1x9l s THR 135 CO 0.03 0.51 0.55 -0.22 -0.69 0.00 0.00 174.62 174.80 1x9l s LEU 136 N 0.97 -0.12 -0.16 4.42 2.96 -0.52 -4.98 118.68 121.24 1x9l s LEU 136 Ca -0.02 1.02 -0.07 0.00 -0.22 0.00 0.00 54.13 54.83 1x9l s LEU 136 Cb -0.15 1.93 -0.04 0.00 0.50 0.00 0.00 46.19 48.43 1x9l s LEU 136 CO -0.02 -0.25 0.09 0.54 -1.32 0.00 0.00 176.35 175.38 1x9l s ASN 137 N 0.05 5.86 0.11 3.68 4.22 -1.26 -0.66 114.94 126.94 1x9l s ASN 137 Ca -0.02 0.20 0.00 0.00 -2.14 0.00 0.00 52.86 50.90 1x9l s ASN 137 Cb -0.04 -1.96 -0.04 0.00 1.28 0.00 0.00 41.25 40.49 1x9l s ASN 137 CO 0.02 0.24 -0.01 -0.69 -2.04 0.00 0.00 177.10 174.62 1x9l s VAL 138 N -0.04 0.41 -0.13 3.54 1.01 0.45 -4.99 120.40 120.63 1x9l s VAL 138 Ca 0.08 -1.90 -0.02 0.00 0.00 0.00 0.00 61.98 60.13 1x9l s VAL 138 Cb -0.12 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 1x9l s VAL 138 CO 0.01 -0.74 -0.06 0.00 0.00 0.00 0.00 175.10 174.31 1x9l s ALA 139 N -3.82 2.94 -0.07 5.51 0.00 -1.26 -0.74 121.76 124.32 1x9l s ALA 139 Ca 0.16 -0.84 0.05 0.00 0.00 0.00 0.00 51.96 51.33 1x9l s ALA 139 Cb 0.07 -1.44 -0.01 0.00 0.00 0.00 0.00 23.12 21.74 1x9l s ALA 139 CO -0.03 0.29 -0.24 0.00 0.00 0.00 0.00 175.76 175.78 1x9l s ALA 140 N 0.13 2.18 -0.07 0.00 0.00 0.69 -4.62 121.76 120.07 1x9l s ALA 140 Ca -0.02 -1.02 -0.26 0.00 0.00 0.00 0.00 51.96 50.65 1x9l s ALA 140 Cb -0.14 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.23 1x9l s ALA 140 CO 0.03 0.38 0.82 0.99 0.00 0.00 0.00 175.76 177.99 1x9l s THR 141 N -0.02 4.95 -0.48 0.00 2.01 -0.51 -0.64 115.64 120.95 1x9l s THR 141 Ca -0.08 1.69 -0.21 0.00 0.31 0.00 0.00 61.69 63.40 1x9l s THR 141 Cb -0.15 -4.16 0.04 0.00 0.01 0.00 0.00 72.50 68.24 1x9l s THR 141 CO 0.05 0.16 0.72 -0.69 -0.69 0.00 0.00 174.62 174.17 1x9l s VAL 142 N 1.22 4.73 -0.26 3.82 1.01 -1.22 -0.76 120.40 128.94 1x9l s VAL 142 Ca 0.42 0.04 -0.12 0.00 0.00 0.00 0.00 61.98 62.33 1x9l s VAL 142 Cb -0.18 -4.31 0.10 0.00 0.00 0.00 0.00 36.38 31.98 1x9l s VAL 142 CO 0.20 -0.76 0.59 -1.59 0.00 0.00 0.00 175.10 173.54 1x9l s LYS 143 N 3.06 0.56 -0.97 2.72 -2.85 0.66 -0.20 119.74 122.72 1x9l s LYS 143 Ca 0.23 1.22 -0.21 0.00 -1.00 0.00 0.00 55.97 56.21 1x9l s LYS 143 Cb -0.15 0.40 -0.11 0.00 -2.06 0.00 0.00 37.83 35.91 1x9l s LYS 143 CO 0.18 -0.18 1.94 0.36 0.10 0.00 0.00 175.35 177.75 1x9l n LYS 144 N 4.86 1.74 -1.50 1.78 2.85 -1.26 -4.06 118.16 122.58 1x9l n LYS 144 Ca -0.16 -2.15 -0.43 0.00 -1.05 0.00 0.00 58.31 54.52 1x9l n LYS 144 Cb 0.54 -3.19 -0.07 0.00 -0.65 0.00 0.00 35.03 31.65 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 9.16 1.85 0.00 -5.58 3.02 -1.26 -3.35 115.26 119.09 1x9l n ASN 145 Ca 0.49 0.04 0.00 0.00 -0.03 0.00 0.00 54.58 55.08 1x9l n ASN 145 Cb 0.42 -1.31 0.00 0.00 -0.61 0.00 0.00 39.78 38.28 1x9l n ASN 145 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 1x9l n ILE 146 N 7.56 0.00 -1.60 2.41 -5.35 -1.26 -4.92 119.36 116.21 1x9l n ILE 146 Ca 0.45 0.00 -0.52 0.00 -0.27 0.00 0.00 62.75 62.41 1x9l n ILE 146 Cb 0.30 0.00 -0.06 0.00 -1.74 0.00 0.00 39.64 38.14 1x9l n ILE 146 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1x9l n GLU 147 N -0.72 1.45 0.00 6.28 4.07 -1.21 -2.11 120.64 128.39 1x9l n GLU 147 Ca 0.00 0.49 0.00 0.00 -0.06 0.00 0.00 57.16 57.59 1x9l n GLU 147 Cb 0.00 -2.43 0.00 0.00 -0.06 0.00 0.00 31.44 28.95 1x9l n GLU 147 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1x9l n GLY 148 N 5.23 1.22 2.06 8.31 0.00 -1.26 -4.78 105.19 115.97 1x9l n GLY 148 Ca 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1x9l n GLY 148 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19