#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x9l s GLY 2 N 0.00 -0.07 0.11 3.03 0.00 -1.26 -5.19 107.32 103.94 1x9l s GLY 2 Ca 0.00 -0.24 -0.25 0.00 0.00 0.00 0.00 44.72 44.23 1x9l s GLY 2 CO 0.00 0.00 0.78 -1.58 0.00 0.00 0.00 173.10 172.31 1x9l s HIS 3 N -3.51 -0.36 0.32 1.90 5.65 -1.26 -5.20 115.29 112.84 1x9l s HIS 3 Ca 0.12 0.13 -0.19 0.00 0.25 0.00 0.00 55.06 55.38 1x9l s HIS 3 Cb -0.05 0.58 0.04 0.00 -1.18 0.00 0.00 32.58 31.98 1x9l s HIS 3 CO 0.06 -0.78 0.77 -0.08 -0.65 0.00 0.00 174.74 174.07 1x9l s THR 4 N -3.45 0.00 -0.42 0.89 -1.32 -1.26 -5.14 115.64 104.94 1x9l s THR 4 Ca 0.06 -0.97 0.07 0.00 -1.21 0.00 0.00 61.69 59.63 1x9l s THR 4 Cb -0.02 -2.47 0.18 0.00 -1.51 0.00 0.00 72.50 68.68 1x9l s THR 4 CO -0.07 0.00 0.60 -0.32 -2.21 0.00 0.00 174.62 172.62 1x9l s MET 5 N -3.03 0.82 0.71 7.08 -2.45 -1.26 -5.16 119.30 116.01 1x9l s MET 5 Ca 0.14 -0.46 -0.12 0.00 -1.25 0.00 0.00 55.69 53.99 1x9l s MET 5 Cb -0.05 -0.05 0.02 0.00 1.25 0.00 0.00 34.83 36.00 1x9l s MET 5 CO 0.09 -1.21 1.09 -1.25 1.05 0.00 0.00 175.02 174.79 1x9l s PRO 6 N 1.66 2.62 0.19 4.11 0.04 -1.26 -5.07 135.00 137.29 1x9l s PRO 6 Ca 0.18 1.21 -0.23 0.00 0.04 0.00 0.00 61.00 62.20 1x9l s PRO 6 Cb -0.05 -1.94 0.05 0.00 0.04 0.00 0.00 34.50 32.60 1x9l s PRO 6 CO -0.06 -1.37 0.68 0.00 0.04 0.00 0.00 177.00 176.29 1x9l s ALA 7 N -2.72 -1.48 0.16 8.56 0.00 -1.26 -5.19 121.76 119.83 1x9l s ALA 7 Ca 0.63 0.23 -0.25 0.00 0.00 0.00 0.00 51.96 52.57 1x9l s ALA 7 Cb -0.18 0.83 0.06 0.00 0.00 0.00 0.00 23.12 23.84 1x9l s ALA 7 CO 0.50 -0.87 0.90 -1.58 0.00 0.00 0.00 175.76 174.71 1x9l s HIS 8 N -3.75 -0.17 -0.20 0.00 5.04 -1.26 -5.17 115.29 109.78 1x9l s HIS 8 Ca 0.05 -0.15 -0.08 0.00 -1.54 0.00 0.00 55.06 53.34 1x9l s HIS 8 Cb -0.03 0.64 0.09 0.00 0.04 0.00 0.00 32.58 33.32 1x9l s HIS 8 CO -0.05 -0.88 0.45 -0.08 -2.34 0.00 0.00 174.74 171.84 1x9l s THR 9 N -3.39 -0.50 0.24 0.89 -1.32 -1.26 -5.16 115.64 105.14 1x9l s THR 9 Ca 0.11 0.13 -0.27 0.00 -1.21 0.00 0.00 61.69 60.45 1x9l s THR 9 Cb -0.02 -0.70 -0.09 0.00 -1.51 0.00 0.00 72.50 70.19 1x9l s THR 9 CO 0.02 0.05 0.88 -2.16 -2.21 0.00 0.00 174.62 171.20 1x9l s PRO 10 N 2.30 4.66 0.82 7.08 0.04 -1.26 -5.07 135.00 143.58 1x9l s PRO 10 Ca -0.04 1.31 -0.12 0.00 0.04 0.00 0.00 61.00 62.19 1x9l s PRO 10 Cb -0.11 -3.12 0.08 0.00 0.04 0.00 0.00 34.50 31.40 1x9l s PRO 10 CO -0.14 0.46 1.10 -1.25 0.04 0.00 0.00 177.00 177.22 1x9l s PRO 11 N -1.46 1.88 -0.00 0.56 0.04 -1.26 -5.10 135.00 129.66 1x9l s PRO 11 Ca 0.42 0.60 -0.23 0.00 0.04 0.00 0.00 61.00 61.83 1x9l s PRO 11 Cb -0.23 -1.90 0.05 0.00 0.04 0.00 0.00 34.50 32.47 1x9l s PRO 11 CO 0.27 -1.75 0.52 0.00 0.04 0.00 0.00 177.00 176.09 1x9l s ALA 12 N -3.15 -1.34 0.09 8.56 0.00 -1.26 -5.18 121.76 119.47 1x9l s ALA 12 Ca 0.61 0.78 -0.26 0.00 0.00 0.00 0.00 51.96 53.09 1x9l s ALA 12 Cb -0.15 0.17 0.09 0.00 0.00 0.00 0.00 23.12 23.23 1x9l s ALA 12 CO 0.54 -0.40 1.12 1.14 0.00 0.00 0.00 175.76 178.17 1x9l s GLN 13 N -1.74 0.88 0.29 0.00 -2.07 -1.26 -5.20 119.66 110.57 1x9l s GLN 13 Ca -0.09 -0.53 -0.18 0.00 -1.82 0.00 0.00 55.36 52.74 1x9l s GLN 13 Cb -0.01 0.28 0.07 0.00 -1.09 0.00 0.00 33.01 32.25 1x9l s GLN 13 CO 0.04 -0.41 0.92 -2.37 -1.32 0.00 0.00 175.29 172.15 1x9l n THR 14 N -0.59 0.00 -2.71 3.63 5.66 -1.26 -5.13 114.28 113.89 1x9l n THR 14 Ca -0.05 -0.78 -0.06 0.00 -3.05 0.00 0.00 64.05 60.11 1x9l n THR 14 Cb 0.61 0.89 0.07 0.00 -1.55 0.00 0.00 70.33 70.34 1x9l n THR 14 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1x9l n ALA 15 N -0.65 -2.44 -1.78 1.79 0.00 -1.26 -5.16 120.51 111.01 1x9l n ALA 15 Ca -0.15 -0.86 -0.37 0.00 0.00 0.00 0.00 53.44 52.06 1x9l n ALA 15 Cb 0.59 -2.28 -0.02 0.00 0.00 0.00 0.00 19.45 17.74 1x9l n ALA 15 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1x9l s PRO 16 N 0.37 3.87 0.05 0.00 0.04 -1.26 -5.05 135.00 133.02 1x9l s PRO 16 Ca 0.28 1.68 -0.27 0.00 0.04 0.00 0.00 61.00 62.73 1x9l s PRO 16 Cb 0.23 -2.42 0.08 0.00 0.04 0.00 0.00 34.50 32.42 1x9l s PRO 16 CO -0.16 -0.43 0.68 0.00 0.04 0.00 0.00 177.00 177.13 1x9l s ALA 17 N -1.60 -1.70 0.04 8.56 0.00 -1.26 -5.19 121.76 120.61 1x9l s ALA 17 Ca 0.62 0.88 -0.27 0.00 0.00 0.00 0.00 51.96 53.19 1x9l s ALA 17 Cb -0.26 0.45 0.09 0.00 0.00 0.00 0.00 23.12 23.40 1x9l s ALA 17 CO 0.32 -0.60 0.87 0.00 0.00 0.00 0.00 175.76 176.35 1x9l s ALA 18 N -2.68 -1.76 0.21 0.00 0.00 -1.26 -5.20 121.76 111.06 1x9l s ALA 18 Ca -0.03 0.77 -0.09 0.00 0.00 0.00 0.00 51.96 52.62 1x9l s ALA 18 Cb -0.01 0.51 -0.01 0.00 0.00 0.00 0.00 23.12 23.61 1x9l s ALA 18 CO -0.04 -0.77 0.33 -0.65 0.00 0.00 0.00 175.76 174.63 1x9l s GLN 19 N -3.22 1.33 0.25 0.00 -0.21 -1.26 -5.19 119.66 111.36 1x9l s GLN 19 Ca 0.06 -1.30 -0.21 0.00 0.02 0.00 0.00 55.36 53.93 1x9l s GLN 19 Cb -0.01 0.39 0.05 0.00 1.00 0.00 0.00 33.01 34.44 1x9l s GLN 19 CO -0.07 -0.51 0.87 0.21 -2.12 0.00 0.00 175.29 173.67 1x9l s LYS 20 N -4.03 1.63 0.37 2.91 2.20 -1.26 -5.20 119.74 116.36 1x9l s LYS 20 Ca 0.24 -0.97 -0.16 0.00 -0.36 0.00 0.00 55.97 54.72 1x9l s LYS 20 Cb 0.02 0.51 0.05 0.00 -1.51 0.00 0.00 37.83 36.91 1x9l s LYS 20 CO 0.06 -0.75 0.80 0.00 -0.36 0.00 0.00 175.35 175.10 1x9l s ALA 21 N -3.03 -0.83 0.14 3.13 0.00 -1.26 -5.20 121.76 114.71 1x9l s ALA 21 Ca 0.14 -0.69 -0.24 0.00 0.00 0.00 0.00 51.96 51.17 1x9l s ALA 21 Cb -0.04 0.69 0.08 0.00 0.00 0.00 0.00 23.12 23.85 1x9l s ALA 21 CO 0.06 -1.00 1.08 0.20 0.00 0.00 0.00 175.76 176.10 1x9l s GLY 22 N -3.08 -0.00 0.30 0.00 0.00 -1.26 -5.20 107.32 98.08 1x9l s GLY 22 Ca 0.15 -0.15 -0.20 0.00 0.00 0.00 0.00 44.72 44.53 1x9l s GLY 22 CO 0.11 2.30 0.79 0.00 0.00 0.00 0.00 173.10 176.29 1x9l s ALA 23 N -2.33 -1.12 0.15 3.20 0.00 -1.26 -5.19 121.76 115.21 1x9l s ALA 23 Ca 0.21 -0.42 -0.04 0.00 0.00 0.00 0.00 51.96 51.71 1x9l s ALA 23 Cb -0.02 0.76 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 1x9l s ALA 23 CO 0.03 -1.02 0.14 -0.65 0.00 0.00 0.00 175.76 174.26 1x9l s GLN 24 N -3.20 1.04 0.21 0.00 -0.21 -1.26 -5.19 119.66 111.06 1x9l s GLN 24 Ca 0.13 -1.38 -0.19 0.00 0.02 0.00 0.00 55.36 53.94 1x9l s GLN 24 Cb -0.05 0.29 0.03 0.00 1.00 0.00 0.00 33.01 34.28 1x9l s GLN 24 CO 0.08 -0.33 0.56 0.00 -2.12 0.00 0.00 175.29 173.48 1x9l s ALA 25 N -4.04 -1.04 -0.14 6.09 0.00 -1.26 -5.04 121.76 116.33 1x9l s ALA 25 Ca 0.24 -0.17 -0.12 0.00 0.00 0.00 0.00 51.96 51.92 1x9l s ALA 25 Cb 0.06 0.86 0.04 0.00 0.00 0.00 0.00 23.12 24.08 1x9l s ALA 25 CO 0.03 -0.84 0.36 -1.17 0.00 0.00 0.00 175.76 174.14 1x9l s LEU 26 N -2.87 0.53 0.88 0.00 0.20 0.17 -5.01 118.68 112.58 1x9l s LEU 26 Ca 0.09 0.73 -0.14 0.00 0.69 0.00 0.00 54.13 55.50 1x9l s LEU 26 Cb -0.02 1.21 0.13 0.00 -0.43 0.00 0.00 46.19 47.08 1x9l s LEU 26 CO -0.02 -0.14 1.23 -2.16 -0.29 0.00 0.00 176.35 174.97 1x9l s PRO 27 N 0.41 1.35 -1.54 0.98 0.04 -1.26 -1.00 135.00 133.98 1x9l s PRO 27 Ca -0.02 -0.07 -0.10 0.00 0.04 0.00 0.00 61.00 60.85 1x9l s PRO 27 Cb -0.04 -1.90 -0.02 0.00 0.04 0.00 0.00 34.50 32.58 1x9l s PRO 27 CO -0.02 -1.99 2.70 1.55 0.04 0.00 0.00 177.00 179.29 1x9l n VAL 28 N -3.55 4.30 -2.80 -0.36 3.14 -1.26 -4.31 118.33 113.49 1x9l n VAL 28 Ca 0.11 -2.99 -0.10 0.00 -2.96 0.00 0.00 64.34 58.39 1x9l n VAL 28 Cb 0.60 -2.53 0.07 0.00 -1.06 0.00 0.00 33.84 30.93 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 3.58 -0.02 -2.95 1.55 5.66 -1.26 -4.49 114.28 116.36 1x9l n THR 29 Ca 0.70 -2.01 -0.23 0.00 -3.05 0.00 0.00 64.05 59.46 1x9l n THR 29 Cb 0.27 1.18 -0.03 0.00 -1.55 0.00 0.00 70.33 70.20 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 0.29 1.92 -3.70 1.08 3.14 -1.26 -5.03 118.33 114.77 1x9l n VAL 30 Ca 0.09 -5.07 -0.13 0.00 -2.96 0.00 0.00 64.34 56.26 1x9l n VAL 30 Cb 0.70 -0.93 -0.09 0.00 -1.06 0.00 0.00 33.84 32.47 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 -3.15 0.59 0.83 1.45 2.00 -1.26 -4.86 119.66 115.25 1x9l s GLN 31 Ca 0.45 0.74 -0.12 0.00 -2.00 0.00 0.00 55.36 54.43 1x9l s GLN 31 Cb 0.32 0.26 0.09 0.00 0.80 0.00 0.00 33.01 34.48 1x9l s GLN 31 CO -0.12 -0.08 1.11 0.20 -0.50 0.00 0.00 175.29 175.90 1x9l s GLY 32 N 0.42 1.61 0.20 2.59 0.00 -1.26 -4.94 107.32 105.95 1x9l s GLY 32 Ca -0.01 -0.28 0.08 0.00 0.00 0.00 0.00 44.72 44.51 1x9l s GLY 32 CO -0.01 0.18 -0.01 0.00 0.00 0.00 0.00 173.10 173.25 1x9l s ALA 33 N -3.18 3.15 0.20 3.20 0.00 0.07 -4.63 121.76 120.57 1x9l s ALA 33 Ca 0.62 -1.47 0.09 0.00 0.00 0.00 0.00 51.96 51.20 1x9l s ALA 33 Cb -0.15 -0.89 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 1x9l s ALA 33 CO 0.54 0.41 -0.19 0.95 0.00 0.00 0.00 175.76 177.47 1x9l s THR 34 N -1.90 2.00 -0.01 0.00 -4.23 -0.02 -0.75 115.64 110.73 1x9l s THR 34 Ca 0.28 -2.07 0.03 0.00 -1.18 0.00 0.00 61.69 58.75 1x9l s THR 34 Cb -0.08 -2.00 -0.01 0.00 1.34 0.00 0.00 72.50 71.75 1x9l s THR 34 CO 0.18 -0.35 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.12 1x9l s VAL 35 N -2.23 0.81 0.00 2.29 1.01 0.57 -0.29 120.40 122.56 1x9l s VAL 35 Ca 0.20 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.73 1x9l s VAL 35 Cb -0.05 -0.68 0.00 0.00 0.00 0.00 0.00 36.38 35.65 1x9l s VAL 35 CO 0.09 0.22 1.77 0.00 0.00 0.00 0.00 175.10 177.17 1x9l n ALA 36 N 2.80 3.67 -0.35 5.51 0.00 -0.96 -0.44 120.51 130.75 1x9l n ALA 36 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1x9l n ALA 36 Cb 0.56 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 1.37 0.00 -2.60 0.00 0.00 -1.26 -2.68 120.51 115.34 1x9l n ALA 37 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1x9l n ALA 37 Cb 0.48 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.86 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 4.81 0.92 0.00 1.01 -1.26 -4.73 120.40 121.15 1x9l s VAL 38 Ca 0.00 -0.06 -0.12 0.00 0.00 0.00 0.00 61.98 61.80 1x9l s VAL 38 Cb 0.00 -4.26 0.14 0.00 0.00 0.00 0.00 36.38 32.26 1x9l s VAL 38 CO 0.00 -0.70 1.10 -2.16 0.00 0.00 0.00 175.10 173.33 1x9l s PRO 39 N 2.85 1.08 -1.09 2.72 0.04 -1.09 -4.88 135.00 134.62 1x9l s PRO 39 Ca 0.21 0.68 -0.12 0.00 0.04 0.00 0.00 61.00 61.81 1x9l s PRO 39 Cb -0.16 -1.80 -0.07 0.00 0.04 0.00 0.00 34.50 32.51 1x9l s PRO 39 CO 0.17 -2.33 2.24 -0.35 0.04 0.00 0.00 177.00 176.77 1x9l n PRO 40 N -3.92 2.35 -2.70 0.56 -0.04 -1.26 -4.04 135.00 125.95 1x9l n PRO 40 Ca 0.06 -1.88 -0.06 0.00 -0.04 0.00 0.00 63.50 61.58 1x9l n PRO 40 Cb 0.56 -2.77 0.10 0.00 -0.04 0.00 0.00 33.50 31.35 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 5.26 -1.85 -0.27 3.54 2.88 -1.26 -5.15 113.62 116.77 1x9l n SER 41 Ca 0.53 -2.85 0.03 0.00 -1.33 0.00 0.00 58.87 55.26 1x9l n SER 41 Cb 0.26 1.55 -0.02 0.00 -0.75 0.00 0.00 64.21 65.25 1x9l n SER 41 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1x9l n ILE 42 N 0.30 -0.11 -0.27 2.46 2.08 -1.26 -4.56 119.36 118.01 1x9l n ILE 42 Ca -0.00 0.15 0.12 0.00 0.56 0.00 0.00 62.75 63.57 1x9l n ILE 42 Cb 0.73 -0.24 0.38 0.00 -0.75 0.00 0.00 39.64 39.76 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 -0.27 0.67 -6.39 0.38 2.43 -1.96 -3.41 114.38 105.83 1x9l h ARG 43 Ca -0.03 -0.04 -0.59 0.00 -0.81 0.00 0.00 59.98 58.51 1x9l h ARG 43 Cb 0.26 -0.15 0.17 0.00 -0.42 0.00 0.00 29.97 29.83 1x9l h ARG 43 CO 0.01 0.44 -0.49 -0.25 -1.51 0.00 0.00 179.97 178.17 1x9l n ASP 44 N -4.56 -1.33 -0.71 -3.80 8.00 -1.26 -4.20 116.55 108.68 1x9l n ASP 44 Ca 0.18 0.77 0.00 0.00 0.71 0.00 0.00 54.79 56.45 1x9l n ASP 44 Cb 0.48 -1.12 0.00 0.00 -0.02 0.00 0.00 41.12 40.46 1x9l n ASP 44 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1x9l n THR 45 N -1.45 0.00 -3.70 -3.53 5.66 0.02 -4.53 114.28 106.75 1x9l n THR 45 Ca 0.11 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 61.00 1x9l n THR 45 Cb 0.45 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.18 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 -1.30 -0.77 0.45 1.79 0.00 -1.26 -0.41 121.76 120.25 1x9l s ALA 46 Ca 0.00 -0.09 -0.14 0.00 0.00 0.00 0.00 51.96 51.74 1x9l s ALA 46 Cb 0.00 0.53 -0.07 0.00 0.00 0.00 0.00 23.12 23.58 1x9l s ALA 46 CO 0.00 -0.55 0.87 0.00 0.00 0.00 0.00 175.76 176.08 1x9l s ALA 47 N -3.37 3.21 -0.14 0.00 0.00 0.21 -2.26 121.76 119.41 1x9l s ALA 47 Ca 0.01 0.01 0.02 0.00 0.00 0.00 0.00 51.96 51.99 1x9l s ALA 47 Cb 0.02 -2.91 0.02 0.00 0.00 0.00 0.00 23.12 20.24 1x9l s ALA 47 CO -0.09 -0.08 -0.19 0.71 0.00 0.00 0.00 175.76 176.12 1x9l s TYR 48 N -2.44 2.44 0.27 0.00 1.51 0.61 -4.27 117.35 115.46 1x9l s TYR 48 Ca 0.55 -1.29 -0.08 0.00 -1.01 0.00 0.00 57.07 55.25 1x9l s TYR 48 Cb -0.10 -1.70 0.03 0.00 -0.11 0.00 0.00 41.96 40.08 1x9l s TYR 48 CO 0.29 -0.63 0.51 -0.12 -1.11 0.00 0.00 175.55 174.49 1x9l n MET 49 N 4.33 0.73 -3.69 -0.62 1.56 -0.49 -0.84 117.12 118.11 1x9l n MET 49 Ca -0.19 -1.71 -0.11 0.00 -0.27 0.00 0.00 57.70 55.42 1x9l n MET 49 Cb 0.51 1.98 -0.12 0.00 2.15 0.00 0.00 33.22 37.74 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 -2.45 -0.24 0.07 1.12 2.01 -1.26 -0.39 115.64 114.49 1x9l s THR 50 Ca 0.14 0.17 -0.26 0.00 0.31 0.00 0.00 61.69 62.05 1x9l s THR 50 Cb -0.03 -0.51 -0.06 0.00 0.01 0.00 0.00 72.50 71.91 1x9l s THR 50 CO 0.10 0.07 0.81 -0.76 -0.69 0.00 0.00 174.62 174.16 1x9l s LEU 51 N 1.84 4.47 -0.32 4.42 1.02 0.15 -4.53 118.68 125.73 1x9l s LEU 51 Ca -0.05 1.54 -0.01 0.00 0.02 0.00 0.00 54.13 55.62 1x9l s LEU 51 Cb -0.11 -3.32 0.11 0.00 0.02 0.00 0.00 46.19 42.89 1x9l s LEU 51 CO -0.11 0.01 0.14 -0.89 0.02 0.00 0.00 176.35 175.52 1x9l s THR 52 N -0.11 0.48 0.40 5.49 2.01 -1.26 -1.64 115.64 121.02 1x9l s THR 52 Ca 0.40 -1.34 -0.14 0.00 0.31 0.00 0.00 61.69 60.92 1x9l s THR 52 Cb -0.21 -1.37 -0.08 0.00 0.01 0.00 0.00 72.50 70.84 1x9l s THR 52 CO 0.25 -0.77 0.82 0.21 -0.69 0.00 0.00 174.62 174.44 1x9l s ASN 53 N 1.57 6.67 -0.36 3.53 3.84 -0.36 -4.12 114.94 125.71 1x9l s ASN 53 Ca 0.12 1.33 0.14 0.00 0.21 0.00 0.00 52.86 54.65 1x9l s ASN 53 Cb -0.18 -2.40 0.39 0.00 -0.55 0.00 0.00 41.25 38.50 1x9l s ASN 53 CO -0.23 -0.37 0.81 0.29 -2.79 0.00 0.00 177.10 174.81 1x9l n LYS 54 N -0.98 1.11 -3.61 0.43 4.76 -0.17 -4.83 118.16 114.88 1x9l n LYS 54 Ca 0.04 -3.39 -0.02 0.00 -2.87 0.00 0.00 58.31 52.07 1x9l n LYS 54 Cb 0.54 -1.58 -0.01 0.00 -1.84 0.00 0.00 35.03 32.13 1x9l n LYS 54 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1x9l s SER 55 N -2.69 -0.11 -0.75 4.39 0.15 -1.22 -0.66 113.70 112.82 1x9l s SER 55 Ca 0.36 -0.06 0.02 0.00 0.70 0.00 0.00 55.95 56.97 1x9l s SER 55 Cb 0.38 0.16 0.18 0.00 -1.71 0.00 0.00 66.02 65.03 1x9l s SER 55 CO -0.05 -0.27 0.56 -0.62 1.20 0.00 0.00 173.24 174.06 1x9l s ASP 56 N -2.52 5.18 -0.01 5.45 2.15 -1.26 -2.61 116.67 123.05 1x9l s ASP 56 Ca 0.11 -3.71 -0.10 0.00 0.43 0.00 0.00 52.55 49.29 1x9l s ASP 56 Cb 0.01 -1.73 0.01 0.00 -0.30 0.00 0.00 42.92 40.91 1x9l s ASP 56 CO -0.04 -0.14 0.20 -1.10 -0.17 0.00 0.00 175.17 173.92 1x9l s GLN 57 N -1.27 0.52 -1.03 4.34 1.11 -1.26 -4.84 119.66 117.23 1x9l s GLN 57 Ca 0.25 -0.26 -0.20 0.00 0.01 0.00 0.00 55.36 55.15 1x9l s GLN 57 Cb -0.08 0.22 -0.09 0.00 -1.01 0.00 0.00 33.01 32.06 1x9l s GLN 57 CO -0.13 -0.13 1.97 -0.35 0.01 0.00 0.00 175.29 176.66 1x9l n PRO 58 N 1.55 1.93 -2.45 2.91 -0.04 -1.26 -2.04 135.00 135.59 1x9l n PRO 58 Ca -0.21 -2.24 -0.30 0.00 -0.04 0.00 0.00 63.50 60.70 1x9l n PRO 58 Cb 0.56 -3.20 -0.02 0.00 -0.04 0.00 0.00 33.50 30.80 1x9l n PRO 58 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1x9l s ILE 59 N 5.77 4.73 0.16 0.52 1.01 -1.07 -4.82 121.20 127.50 1x9l s ILE 59 Ca 0.57 0.76 -0.07 0.00 0.00 0.00 0.00 60.65 61.91 1x9l s ILE 59 Cb 0.10 -3.79 -0.02 0.00 0.01 0.00 0.00 42.46 38.77 1x9l s ILE 59 CO 0.08 -0.78 0.24 -1.59 0.00 0.00 0.00 174.94 172.88 1x9l s LYS 60 N -4.41 1.12 -0.03 2.79 -2.85 -1.26 -0.81 119.74 114.29 1x9l s LYS 60 Ca 0.53 -1.24 -0.00 0.00 -1.00 0.00 0.00 55.97 54.26 1x9l s LYS 60 Cb -0.10 0.35 0.03 0.00 -2.06 0.00 0.00 37.83 36.04 1x9l s LYS 60 CO 0.40 -0.39 0.02 -1.17 0.10 0.00 0.00 175.35 174.31 1x9l s LEU 61 N -2.99 0.94 -0.35 2.77 1.98 -1.21 -4.50 118.68 115.32 1x9l s LEU 61 Ca 0.19 0.02 0.15 0.00 -2.89 0.00 0.00 54.13 51.60 1x9l s LEU 61 Cb 0.04 -0.14 0.43 0.00 0.66 0.00 0.00 46.19 47.18 1x9l s LEU 61 CO 0.01 -0.14 0.93 0.55 -1.89 0.00 0.00 176.35 175.81 1x9l n VAL 62 N 4.38 1.02 -3.52 1.68 3.14 0.28 -3.79 118.33 121.51 1x9l n VAL 62 Ca -0.23 -3.64 -0.16 0.00 -2.96 0.00 0.00 64.34 57.35 1x9l n VAL 62 Cb 0.50 0.20 -0.06 0.00 -1.06 0.00 0.00 33.84 33.43 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 -3.06 -0.53 -0.45 7.55 0.00 -0.70 -4.52 107.32 105.61 1x9l s GLY 63 Ca 0.33 1.37 0.07 0.00 0.00 0.00 0.00 44.72 46.49 1x9l s GLY 63 CO -0.02 0.91 1.01 0.00 0.00 0.00 0.00 173.10 175.00 1x9l n ALA 64 N 0.79 -0.38 -2.65 3.20 0.00 -1.25 -3.88 120.51 116.33 1x9l n ALA 64 Ca -0.17 -1.79 -0.42 0.00 0.00 0.00 0.00 53.44 51.06 1x9l n ALA 64 Cb 0.58 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.09 2.88 -0.15 0.00 0.00 0.85 -4.85 121.76 120.40 1x9l s ALA 65 Ca 0.27 -2.29 -0.05 0.00 0.00 0.00 0.00 51.96 49.88 1x9l s ALA 65 Cb 0.28 -4.38 -0.04 0.00 0.00 0.00 0.00 23.12 18.99 1x9l s ALA 65 CO -0.09 -3.42 0.04 -0.08 0.00 0.00 0.00 175.76 172.21 1x9l s THR 66 N 4.48 4.62 -1.27 0.00 -1.32 -1.26 -0.84 115.64 120.05 1x9l s THR 66 Ca 0.41 -0.11 -0.10 0.00 -1.21 0.00 0.00 61.69 60.68 1x9l s THR 66 Cb -0.02 -3.03 -0.07 0.00 -1.51 0.00 0.00 72.50 67.87 1x9l s THR 66 CO -0.07 0.52 2.46 -0.81 -2.21 0.00 0.00 174.62 174.51 1x9l n PRO 67 N 3.01 2.80 0.00 7.08 -0.04 -1.26 -3.19 135.00 143.40 1x9l n PRO 67 Ca -0.18 -1.96 0.00 0.00 -0.04 0.00 0.00 63.50 61.33 1x9l n PRO 67 Cb 0.53 -2.76 0.00 0.00 -0.04 0.00 0.00 33.50 31.23 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 4.53 0.00 -4.72 1.53 7.94 -1.26 -4.86 117.00 120.17 1x9l n LEU 68 Ca 0.60 0.00 -0.36 0.00 -1.11 0.00 0.00 56.01 55.14 1x9l n LEU 68 Cb 0.23 0.36 -0.07 0.00 0.53 0.00 0.00 43.42 44.47 1x9l n LEU 68 CO 0.83 -0.36 -0.02 0.00 -1.11 0.00 0.00 177.39 176.72 1x9l s ALA 69 N -1.84 3.59 0.25 1.96 0.00 -1.19 0.05 121.76 124.58 1x9l s ALA 69 Ca 0.00 -0.50 0.02 0.00 0.00 0.00 0.00 51.96 51.48 1x9l s ALA 69 Cb 0.00 -2.40 0.30 0.00 0.00 0.00 0.00 23.12 21.02 1x9l s ALA 69 CO 0.00 0.03 1.62 1.15 0.00 0.00 0.00 175.76 178.56 1x9l h THR 70 N 4.75 1.32 -2.31 0.00 2.02 -0.54 -3.40 112.91 114.75 1x9l h THR 70 Ca -0.40 -1.66 -0.59 0.00 0.77 0.00 0.00 66.41 64.53 1x9l h THR 70 Cb 1.16 1.71 -0.41 0.00 -1.74 0.00 0.00 68.15 68.88 1x9l h THR 70 CO 0.75 0.51 -0.80 -0.24 0.37 0.00 0.00 175.52 176.10 1x9l n SER 71 N -3.99 1.97 -4.67 4.18 2.88 0.38 -5.00 113.62 109.36 1x9l n SER 71 Ca -0.02 -3.03 -0.42 0.00 -1.33 0.00 0.00 58.87 54.07 1x9l n SER 71 Cb 0.53 -0.66 -0.03 0.00 -0.75 0.00 0.00 64.21 63.31 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 -1.57 4.25 -0.10 -1.46 0.04 -1.26 -0.77 135.00 134.13 1x9l s PRO 72 Ca 0.35 1.95 -0.04 0.00 0.04 0.00 0.00 61.00 63.30 1x9l s PRO 72 Cb 0.11 -3.72 0.05 0.00 0.04 0.00 0.00 34.50 30.98 1x9l s PRO 72 CO -0.09 -0.67 0.20 -1.64 0.04 0.00 0.00 177.00 174.84 1x9l s MET 73 N 3.07 0.11 0.20 4.56 -1.94 0.28 -4.97 119.30 120.62 1x9l s MET 73 Ca 0.64 0.57 -0.26 0.00 -1.71 0.00 0.00 55.69 54.93 1x9l s MET 73 Cb -0.30 -0.16 -0.08 0.00 2.01 0.00 0.00 34.83 36.30 1x9l s MET 73 CO 0.25 -0.24 0.82 -0.51 -0.01 0.00 0.00 175.02 175.32 1x9l s LEU 74 N 1.87 4.56 0.02 -0.03 1.43 -1.26 -0.10 118.68 125.18 1x9l s LEU 74 Ca -0.03 1.70 -0.02 0.00 -1.03 0.00 0.00 54.13 54.76 1x9l s LEU 74 Cb -0.12 -3.46 -0.02 0.00 0.03 0.00 0.00 46.19 42.63 1x9l s LEU 74 CO -0.07 0.16 0.01 -0.32 0.23 0.00 0.00 176.35 176.35 1x9l s MET 75 N -1.33 0.41 -0.10 1.70 1.75 -0.30 -2.31 119.30 119.13 1x9l s MET 75 Ca 0.39 -0.70 -0.03 0.00 -1.25 0.00 0.00 55.69 54.10 1x9l s MET 75 Cb -0.23 0.15 0.05 0.00 2.84 0.00 0.00 34.83 37.64 1x9l s MET 75 CO 0.27 -0.08 0.10 0.95 -0.65 0.00 0.00 175.02 175.61 1x9l s THR 76 N -1.98 -0.15 -0.40 10.11 -4.23 -1.23 -0.52 115.64 117.24 1x9l s THR 76 Ca -0.11 0.18 0.10 0.00 -1.18 0.00 0.00 61.69 60.68 1x9l s THR 76 Cb -0.06 -0.36 0.34 0.00 1.34 0.00 0.00 72.50 73.77 1x9l s THR 76 CO -0.03 -0.01 0.85 1.07 -0.54 0.00 0.00 174.62 175.96 1x9l n THR 77 N 5.30 -0.11 -3.67 3.99 5.66 -0.87 -0.22 114.28 124.36 1x9l n THR 77 Ca -0.05 -3.67 -0.16 0.00 -3.05 0.00 0.00 64.05 57.12 1x9l n THR 77 Cb 0.50 0.26 -0.15 0.00 -1.55 0.00 0.00 70.33 69.38 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 -1.65 -0.26 -1.41 1.09 -1.32 0.22 -4.31 115.64 107.99 1x9l s THR 78 Ca 0.35 0.33 -0.10 0.00 -1.21 0.00 0.00 61.69 61.06 1x9l s THR 78 Cb 0.33 -0.31 -0.07 0.00 -1.51 0.00 0.00 72.50 70.95 1x9l s THR 78 CO -0.07 0.14 2.65 1.41 -2.21 0.00 0.00 174.62 176.54 1x9l n HIS 79 N 5.24 2.28 0.17 9.09 -0.00 -1.26 -2.51 115.22 128.22 1x9l n HIS 79 Ca -0.07 -2.77 0.00 0.00 -0.00 0.00 0.00 57.72 54.88 1x9l n HIS 79 Cb 0.50 -2.28 0.00 0.00 -0.00 0.00 0.00 29.99 28.21 1x9l n HIS 79 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.34 176.77 1x9l n SER 80 N 4.16 -3.05 0.00 0.41 7.64 -1.26 -5.05 113.62 116.47 1x9l n SER 80 Ca 0.67 0.72 0.00 0.00 1.01 0.00 0.00 58.87 61.27 1x9l n SER 80 Cb 0.23 2.96 0.00 0.00 -1.01 0.00 0.00 64.21 66.39 1x9l n SER 80 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x9l n GLY 81 N -1.42 0.32 3.34 0.23 0.00 -1.20 -4.70 105.19 101.76 1x9l n GLY 81 Ca 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.56 1x9l n GLY 81 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1x9l s GLY 82 N 0.00 2.07 0.00 -0.02 0.00 -1.22 -4.75 107.32 103.40 1x9l s GLY 82 Ca 0.00 -2.57 -0.13 0.00 0.00 0.00 0.00 44.72 42.02 1x9l s GLY 82 CO 0.00 1.38 0.37 -0.29 0.00 0.00 0.00 173.10 174.56 1x9l s MET 83 N 1.79 3.82 0.00 2.90 -2.45 -1.04 -0.61 119.30 123.70 1x9l s MET 83 Ca 0.10 0.29 0.00 0.00 -1.25 0.00 0.00 55.69 54.82 1x9l s MET 83 Cb -0.24 -3.17 0.00 0.00 1.25 0.00 0.00 34.83 32.68 1x9l s MET 83 CO 0.02 0.68 0.00 0.00 1.05 0.00 0.00 175.02 176.76 1x9l n ALA 84 N 1.64 0.00 -3.96 4.11 0.00 -0.57 -4.84 120.51 116.88 1x9l n ALA 84 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 52.99 1x9l n ALA 84 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.94 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 0.00 -0.45 3.39 0.00 0.00 -1.15 -0.55 105.19 106.43 1x9l n GLY 85 Ca 0.00 0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.92 -6.31 -3.15 1.61 0.00 0.69 -4.97 117.12 101.07 1x9l n MET 86 Ca 0.07 0.83 -0.24 0.00 -0.00 0.00 0.00 57.70 58.35 1x9l n MET 86 Cb 0.49 -5.78 -0.00 0.00 0.00 0.00 0.00 33.22 27.93 1x9l n MET 86 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 175.97 174.38 1x9l s LYS 87 N -6.09 3.32 -0.36 2.12 0.00 0.29 -4.79 119.74 114.24 1x9l s LYS 87 Ca 0.47 -0.35 -0.28 0.00 0.00 0.00 0.00 55.97 55.81 1x9l s LYS 87 Cb -0.21 -2.59 0.02 0.00 0.00 0.00 0.00 37.83 35.04 1x9l s LYS 87 CO 0.59 -0.05 1.06 1.41 0.00 0.00 0.00 175.35 178.36 1x9l s MET 88 N -4.45 3.97 0.40 1.78 -2.45 -1.26 -3.57 119.30 113.71 1x9l s MET 88 Ca 0.44 0.90 0.08 0.00 -1.25 0.00 0.00 55.69 55.85 1x9l s MET 88 Cb -0.10 -3.78 0.00 0.00 1.25 0.00 0.00 34.83 32.21 1x9l s MET 88 CO 0.38 -1.00 0.53 0.14 1.05 0.00 0.00 175.02 176.12 1x9l s VAL 89 N 3.77 3.20 0.15 10.11 -7.23 -0.98 -5.00 120.40 124.43 1x9l s VAL 89 Ca 0.45 -1.03 -0.23 0.00 -1.81 0.00 0.00 61.98 59.36 1x9l s VAL 89 Cb -0.11 -3.09 0.02 0.00 0.56 0.00 0.00 36.38 33.76 1x9l s VAL 89 CO 0.19 -0.04 1.30 -0.81 -0.31 0.00 0.00 175.10 175.43 1x9l n PRO 90 N -1.77 -0.32 -3.67 4.82 -0.04 -1.26 -4.71 135.00 128.04 1x9l n PRO 90 Ca 0.06 1.28 0.00 0.00 -0.04 0.00 0.00 63.50 64.80 1x9l n PRO 90 Cb 0.59 -1.89 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 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 -5.11 0.00 -4.03 0.54 2.14 -1.26 -4.93 117.44 104.78 1x9l n TRP 91 Ca 0.04 0.00 -0.31 0.00 2.07 0.00 0.00 57.50 59.29 1x9l n TRP 91 Cb 0.26 0.00 -0.15 0.00 -0.81 0.00 0.00 31.31 30.61 1x9l n TRP 91 CO 0.00 0.00 0.00 -0.48 2.07 0.00 0.00 177.69 179.28 1x9l s LEU 92 N 0.00 3.71 0.00 5.67 -0.00 -1.25 -4.99 118.68 121.83 1x9l s LEU 92 Ca 0.00 -1.61 -0.28 0.00 -0.00 0.00 0.00 54.13 52.24 1x9l s LEU 92 Cb 0.00 -1.52 -0.04 0.00 -0.00 0.00 0.00 46.19 44.64 1x9l s LEU 92 CO 0.00 -0.26 0.91 -0.89 -0.00 0.00 0.00 176.35 176.11 1x9l s THR 93 N 1.09 4.85 -0.15 5.48 2.01 -1.26 -3.33 115.64 124.32 1x9l s THR 93 Ca -0.02 1.91 -0.04 0.00 0.31 0.00 0.00 61.69 63.85 1x9l s THR 93 Cb -0.20 -4.25 -0.03 0.00 0.01 0.00 0.00 72.50 68.03 1x9l s THR 93 CO -0.07 0.21 -0.01 0.27 -0.69 0.00 0.00 174.62 174.34 1x9l s ILE 94 N 0.77 4.18 0.27 1.82 -5.25 0.01 -4.67 121.20 118.33 1x9l s ILE 94 Ca 0.48 -0.26 -0.30 0.00 -0.99 0.00 0.00 60.65 59.58 1x9l s ILE 94 Cb -0.21 -2.83 -0.09 0.00 2.95 0.00 0.00 42.46 42.28 1x9l s ILE 94 CO 0.26 0.51 1.09 -2.16 -1.79 0.00 0.00 174.94 172.85 1x9l s PRO 95 N 0.12 4.65 3.72 0.37 0.04 -1.26 -2.59 135.00 140.06 1x9l s PRO 95 Ca 0.01 1.78 0.00 0.00 0.04 0.00 0.00 61.00 62.83 1x9l s PRO 95 Cb -0.13 -3.20 0.00 0.00 0.04 0.00 0.00 34.50 31.21 1x9l s PRO 95 CO 0.02 0.23 0.00 0.00 0.04 0.00 0.00 177.00 177.29 1x9l n ALA 96 N 1.28 0.00 -0.24 8.56 0.00 -0.87 -2.37 120.51 126.87 1x9l n ALA 96 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.40 1x9l n ALA 96 Cb 0.45 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.86 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 0.00 0.51 -1.47 0.00 -4.01 -1.07 -4.05 116.66 106.57 1x9l n ARG 97 Ca 0.00 -0.30 -0.34 0.00 -1.04 0.00 0.00 57.85 56.16 1x9l n ARG 97 Cb 0.00 -1.68 0.09 0.00 -3.04 0.00 0.00 32.46 27.83 1x9l n ARG 97 CO 0.00 0.00 0.00 0.20 -3.04 0.00 0.00 177.63 174.79 1x9l s GLY 98 N 2.92 2.38 -0.36 2.89 0.00 -1.00 -4.80 107.32 109.35 1x9l s GLY 98 Ca 0.16 0.89 0.02 0.00 0.00 0.00 0.00 44.72 45.79 1x9l s GLY 98 CO -0.00 1.30 0.34 -1.08 0.00 0.00 0.00 173.10 173.66 1x9l s THR 99 N -1.95 -0.24 0.55 0.90 -1.32 -1.26 -1.22 115.64 111.08 1x9l s THR 99 Ca 0.75 -1.11 -0.07 0.00 -1.21 0.00 0.00 61.69 60.04 1x9l s THR 99 Cb -0.29 -0.77 -0.03 0.00 -1.51 0.00 0.00 72.50 69.90 1x9l s THR 99 CO 0.45 -0.66 0.89 -0.22 -2.21 0.00 0.00 174.62 172.86 1x9l s LEU 100 N 1.39 3.42 -0.32 9.08 2.96 -0.65 -4.88 118.68 129.69 1x9l s LEU 100 Ca 0.17 1.05 -0.00 0.00 -0.22 0.00 0.00 54.13 55.13 1x9l s LEU 100 Cb -0.17 -4.01 0.10 0.00 0.50 0.00 0.00 46.19 42.62 1x9l s LEU 100 CO -0.04 -0.77 0.10 -0.89 -1.32 0.00 0.00 176.35 173.44 1x9l s THR 101 N -2.93 1.01 -0.17 3.68 2.01 -1.26 -0.67 115.64 117.30 1x9l s THR 101 Ca 0.51 -1.53 -0.28 0.00 0.31 0.00 0.00 61.69 60.70 1x9l s THR 101 Cb -0.11 -1.76 -0.01 0.00 0.01 0.00 0.00 72.50 70.63 1x9l s THR 101 CO 0.48 -0.68 0.94 -0.76 -0.69 0.00 0.00 174.62 173.91 1x9l s LEU 102 N 1.50 4.17 0.04 4.42 1.02 0.48 -4.72 118.68 125.59 1x9l s LEU 102 Ca 0.10 1.33 -0.21 0.00 0.02 0.00 0.00 54.13 55.37 1x9l s LEU 102 Cb -0.18 -3.42 0.05 0.00 0.02 0.00 0.00 46.19 42.67 1x9l s LEU 102 CO -0.23 -0.50 0.50 0.00 0.02 0.00 0.00 176.35 176.14 1x9l s GLN 103 N 2.45 1.00 -1.05 1.70 -2.07 0.29 -1.39 119.66 120.59 1x9l s GLN 103 Ca 0.43 -0.25 -0.22 0.00 -1.82 0.00 0.00 55.36 53.49 1x9l s GLN 103 Cb -0.17 0.46 -0.10 0.00 -1.09 0.00 0.00 33.01 32.11 1x9l s GLN 103 CO 0.12 -0.36 1.92 -2.13 -1.32 0.00 0.00 175.29 173.53 1x9l n ARG 104 N 0.45 1.65 0.00 9.60 0.00 -1.26 -3.30 116.66 123.81 1x9l n ARG 104 Ca -0.18 -2.30 0.00 0.00 -0.00 0.00 0.00 57.85 55.36 1x9l n ARG 104 Cb 0.60 -3.45 0.00 0.00 0.00 0.00 0.00 32.46 29.61 1x9l n ARG 104 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1x9l n ASP 105 N 11.75 0.00 -3.91 6.15 2.03 -1.26 -5.06 116.55 126.25 1x9l n ASP 105 Ca 0.47 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 55.40 1x9l n ASP 105 Cb 0.44 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.77 1x9l n ASP 105 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x9l n GLY 106 N 0.00 1.73 1.19 0.27 0.00 -1.21 -3.88 105.19 103.29 1x9l n GLY 106 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 10.14 -6.70 -3.67 1.61 -0.08 -1.26 -4.30 116.55 112.30 1x9l n ASP 107 Ca 0.48 0.89 -0.02 0.00 -1.51 0.00 0.00 54.79 54.63 1x9l n ASP 107 Cb 0.43 -3.06 -0.01 0.00 2.34 0.00 0.00 41.12 40.82 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 -2.29 -0.07 -0.32 -0.67 -3.43 0.32 -0.55 115.29 108.27 1x9l s HIS 108 Ca 0.00 -0.17 -0.13 0.00 -0.80 0.00 0.00 55.06 53.96 1x9l s HIS 108 Cb 0.00 0.61 -0.03 0.00 -1.43 0.00 0.00 32.58 31.74 1x9l s HIS 108 CO 0.00 -0.64 0.25 0.08 -2.00 0.00 0.00 174.74 172.43 1x9l s VAL 109 N -2.84 5.27 0.27 -5.38 1.01 -1.26 -1.15 120.40 116.33 1x9l s VAL 109 Ca 0.14 -0.04 -0.23 0.00 0.00 0.00 0.00 61.98 61.85 1x9l s VAL 109 Cb 0.01 -3.68 -0.09 0.00 0.00 0.00 0.00 36.38 32.62 1x9l s VAL 109 CO 0.00 0.06 0.84 -0.04 0.00 0.00 0.00 175.10 175.96 1x9l s MET 110 N 1.79 4.42 -0.70 2.72 -1.94 0.86 -0.62 119.30 125.83 1x9l s MET 110 Ca 0.07 1.10 0.05 0.00 -1.71 0.00 0.00 55.69 55.21 1x9l s MET 110 Cb -0.17 -2.84 0.18 0.00 2.01 0.00 0.00 34.83 34.01 1x9l s MET 110 CO 0.11 0.34 0.53 1.28 -0.01 0.00 0.00 175.02 177.26 1x9l n LEU 111 N 0.64 3.09 -4.86 -0.03 4.77 0.45 -0.55 117.00 120.51 1x9l n LEU 111 Ca -0.00 -5.24 -0.31 0.00 -0.03 0.00 0.00 56.01 50.43 1x9l n LEU 111 Cb 0.51 -0.73 -0.03 0.00 -2.33 0.00 0.00 43.42 40.83 1x9l n LEU 111 CO 0.44 1.80 0.54 -0.04 -1.33 0.00 0.00 177.39 178.79 1x9l s MET 112 N -1.59 3.85 -0.95 3.23 -1.94 0.05 -0.80 119.30 121.15 1x9l s MET 112 Ca 0.27 0.67 -0.02 0.00 -1.71 0.00 0.00 55.69 54.89 1x9l s MET 112 Cb -0.02 -2.29 -0.03 0.00 2.01 0.00 0.00 34.83 34.51 1x9l s MET 112 CO -0.15 -0.13 0.81 0.41 -0.01 0.00 0.00 175.02 175.95 1x9l n GLY 113 N -1.40 -0.51 3.77 -0.03 0.00 -1.26 -0.47 105.19 105.29 1x9l n GLY 113 Ca 0.04 0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.87 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 -5.37 4.22 -0.06 0.99 2.96 -1.26 -0.43 118.68 119.73 1x9l s LEU 114 Ca 0.18 2.95 -0.07 0.00 -0.22 0.00 0.00 54.13 56.96 1x9l s LEU 114 Cb -0.02 -3.81 -0.02 0.00 0.50 0.00 0.00 46.19 42.84 1x9l s LEU 114 CO 0.62 -1.00 -0.14 0.29 -1.32 0.00 0.00 176.35 174.81 1x9l n LYS 115 N 0.15 0.21 -1.69 1.98 5.02 0.11 -4.87 118.16 119.06 1x9l n LYS 115 Ca 0.03 0.08 -0.37 0.00 -2.02 0.00 0.00 58.31 56.03 1x9l n LYS 115 Cb 0.41 -0.81 0.07 0.00 -0.02 0.00 0.00 35.03 34.68 1x9l n LYS 115 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1x9l n ARG 116 N -3.38 1.05 -1.89 1.97 1.74 -1.26 -4.90 116.66 110.00 1x9l n ARG 116 Ca -0.05 0.42 -0.39 0.00 -0.77 0.00 0.00 57.85 57.05 1x9l n ARG 116 Cb 0.20 -2.50 -0.03 0.00 -1.02 0.00 0.00 32.46 29.12 1x9l n ARG 116 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1x9l s PRO 117 N -3.35 2.69 0.96 5.56 0.04 -1.26 -4.96 135.00 134.68 1x9l s PRO 117 Ca 0.82 1.08 -0.12 0.00 0.04 0.00 0.00 61.00 62.82 1x9l s PRO 117 Cb -0.38 -4.39 0.08 0.00 0.04 0.00 0.00 34.50 29.85 1x9l s PRO 117 CO 0.41 -2.63 0.60 1.47 0.04 0.00 0.00 177.00 176.89 1x9l n LEU 118 N 12.91 0.53 -3.92 -3.56 -0.00 -1.26 -5.05 117.00 116.65 1x9l n LEU 118 Ca 0.26 0.30 -0.21 0.00 -0.00 0.00 0.00 56.01 56.36 1x9l n LEU 118 Cb 0.51 -1.26 -0.16 0.00 -0.00 0.00 0.00 43.42 42.50 1x9l n LEU 118 CO 0.70 -3.19 -0.42 -0.54 -0.00 0.00 0.00 177.39 173.94 1x9l s LYS 119 N -3.92 1.02 -0.73 1.47 3.01 -1.26 -5.04 119.74 114.29 1x9l s LYS 119 Ca 0.60 -0.17 -0.26 0.00 -1.01 0.00 0.00 55.97 55.13 1x9l s LYS 119 Cb -0.21 -0.97 -0.07 0.00 -1.01 0.00 0.00 37.83 35.57 1x9l s LYS 119 CO 0.65 -0.06 2.12 0.08 0.51 0.00 0.00 175.35 178.64 1x9l s VAL 120 N 0.89 3.24 0.00 3.17 1.01 -1.25 -0.71 120.40 126.75 1x9l s VAL 120 Ca -0.11 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1x9l s VAL 120 Cb -0.15 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.66 1x9l s VAL 120 CO 0.01 -0.55 0.00 0.61 0.00 0.00 0.00 175.10 175.17 1x9l n GLY 121 N 6.41 1.54 3.68 4.51 0.00 0.76 -4.97 105.19 117.12 1x9l n GLY 121 Ca 0.36 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.09 1x9l n GLY 121 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1x9l s GLU 122 N -0.13 0.59 -0.49 1.61 0.41 0.11 -4.86 118.70 115.94 1x9l s GLU 122 Ca 0.00 0.64 0.06 0.00 -0.41 0.00 0.00 54.97 55.27 1x9l s GLU 122 Cb 0.00 -1.75 0.20 0.00 -1.78 0.00 0.00 34.13 30.80 1x9l s GLU 122 CO 0.00 -2.65 0.68 2.41 -0.49 0.00 0.00 175.26 175.21 1x9l n THR 123 N -4.14 -0.27 -3.33 3.63 -1.04 -1.25 -0.72 114.28 107.16 1x9l n THR 123 Ca 0.06 -1.73 -0.38 0.00 -2.04 0.00 0.00 64.05 59.96 1x9l n THR 123 Cb 0.56 0.43 -0.07 0.00 -1.82 0.00 0.00 70.33 69.43 1x9l n THR 123 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1x9l s VAL 124 N 0.56 5.17 -0.09 12.58 1.01 0.13 -4.82 120.40 134.95 1x9l s VAL 124 Ca 0.31 0.85 -0.30 0.00 0.00 0.00 0.00 61.98 62.84 1x9l s VAL 124 Cb 0.06 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.63 1x9l s VAL 124 CO -0.12 0.26 1.24 0.20 0.00 0.00 0.00 175.10 176.67 1x9l s ASN 125 N 0.92 7.00 -0.10 3.32 0.01 -1.26 -0.28 114.94 124.56 1x9l s ASN 125 Ca 0.22 1.80 0.02 0.00 -0.71 0.00 0.00 52.86 54.19 1x9l s ASN 125 Cb -0.15 -2.55 -0.02 0.00 0.41 0.00 0.00 41.25 38.94 1x9l s ASN 125 CO 0.09 -0.65 -0.15 0.27 -1.51 0.00 0.00 177.10 175.14 1x9l s ILE 126 N 2.66 2.90 -0.17 0.60 -4.36 0.46 -4.42 121.20 118.87 1x9l s ILE 126 Ca 0.56 -0.74 -0.19 0.00 -0.26 0.00 0.00 60.65 60.02 1x9l s ILE 126 Cb -0.24 -2.17 -0.03 0.00 1.25 0.00 0.00 42.46 41.26 1x9l s ILE 126 CO 0.20 0.55 0.54 -0.89 0.24 0.00 0.00 174.94 175.58 1x9l s THR 127 N -0.03 5.11 0.83 8.37 2.01 -0.02 -0.52 115.64 131.40 1x9l s THR 127 Ca -0.04 1.02 -0.12 0.00 0.31 0.00 0.00 61.69 62.86 1x9l s THR 127 Cb -0.14 -3.86 0.12 0.00 0.01 0.00 0.00 72.50 68.62 1x9l s THR 127 CO 0.04 0.21 1.19 -0.76 -0.69 0.00 0.00 174.62 174.60 1x9l s LEU 128 N 1.39 2.65 -0.28 4.42 1.43 0.65 -0.10 118.68 128.84 1x9l s LEU 128 Ca 0.26 0.49 0.02 0.00 -1.03 0.00 0.00 54.13 53.87 1x9l s LEU 128 Cb -0.16 -2.86 0.16 0.00 0.03 0.00 0.00 46.19 43.37 1x9l s LEU 128 CO 0.10 -2.12 0.43 -0.54 0.23 0.00 0.00 176.35 174.46 1x9l s LYS 129 N -5.60 0.43 0.36 1.70 1.02 -1.25 -3.47 119.74 112.93 1x9l s LYS 129 Ca 0.66 0.28 -0.19 0.00 0.02 0.00 0.00 55.97 56.74 1x9l s LYS 129 Cb -0.08 -0.23 -0.10 0.00 -0.52 0.00 0.00 37.83 36.90 1x9l s LYS 129 CO 0.49 -0.96 0.84 0.00 -0.92 0.00 0.00 175.35 174.80 1x9l s ALA 130 N 2.59 3.20 0.44 5.17 0.00 -1.08 -0.56 121.76 131.52 1x9l s ALA 130 Ca 0.11 0.24 0.30 0.00 0.00 0.00 0.00 51.96 52.61 1x9l s ALA 130 Cb -0.13 -2.97 1.42 0.00 0.00 0.00 0.00 23.12 21.45 1x9l s ALA 130 CO -0.27 0.24 1.62 1.79 0.00 0.00 0.00 175.76 179.13 1x9l h THR 131 N 2.06 0.12 0.00 0.00 1.35 -1.92 -0.10 112.91 114.42 1x9l h THR 131 Ca -0.48 -0.03 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1x9l h THR 131 Cb 1.18 0.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 1x9l h THR 131 CO 0.63 0.02 0.00 0.47 -0.25 0.00 0.00 175.52 176.39 1x9l n ASP 132 N -4.70 0.16 0.00 5.36 9.92 -1.26 -4.79 116.55 121.24 1x9l n ASP 132 Ca 0.37 0.57 0.00 0.00 -0.53 0.00 0.00 54.79 55.20 1x9l n ASP 132 Cb 1.43 -0.59 0.00 0.00 -0.64 0.00 0.00 41.12 41.32 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 -1.26 0.73 3.03 0.44 0.00 -0.05 -4.97 105.19 103.11 1x9l n GLY 133 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.44 3.10 -1.86 1.61 1.74 -1.22 -4.81 116.66 112.78 1x9l n ARG 134 Ca 0.00 -3.02 -0.41 0.00 -0.77 0.00 0.00 57.85 53.65 1x9l n ARG 134 Cb 0.00 -3.27 -0.01 0.00 -1.02 0.00 0.00 32.46 28.17 1x9l n ARG 134 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 1x9l n THR 135 N 5.12 4.15 -1.89 0.55 5.66 -1.26 -2.65 114.28 123.97 1x9l n THR 135 Ca 0.48 -3.52 -0.29 0.00 -3.05 0.00 0.00 64.05 57.67 1x9l n THR 135 Cb 0.41 -2.46 0.15 0.00 -1.55 0.00 0.00 70.33 66.87 1x9l n THR 135 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 1x9l s LEU 136 N 0.48 2.56 -0.11 1.09 1.98 -1.23 -4.67 118.68 118.79 1x9l s LEU 136 Ca 0.50 0.51 0.03 0.00 -2.89 0.00 0.00 54.13 52.29 1x9l s LEU 136 Cb 0.14 -2.74 0.00 0.00 0.66 0.00 0.00 46.19 44.26 1x9l s LEU 136 CO -0.06 -2.42 -0.22 0.54 -1.89 0.00 0.00 176.35 172.30 1x9l s ASN 137 N -4.71 2.96 0.02 3.68 2.20 -1.26 -0.25 114.94 117.58 1x9l s ASN 137 Ca 0.69 -0.54 0.06 0.00 -0.94 0.00 0.00 52.86 52.13 1x9l s ASN 137 Cb -0.07 -1.36 -0.02 0.00 -2.00 0.00 0.00 41.25 37.80 1x9l s ASN 137 CO 0.51 0.12 -0.19 -0.69 -2.94 0.00 0.00 177.10 173.92 1x9l s VAL 138 N 0.51 1.52 -0.11 3.54 1.01 0.32 -4.96 120.40 122.22 1x9l s VAL 138 Ca -0.15 -1.04 -0.25 0.00 0.00 0.00 0.00 61.98 60.54 1x9l s VAL 138 Cb -0.17 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.87 1x9l s VAL 138 CO 0.06 0.24 0.79 0.00 0.00 0.00 0.00 175.10 176.19 1x9l s ALA 139 N -0.69 3.41 -0.37 5.51 0.00 -1.26 -0.40 121.76 127.96 1x9l s ALA 139 Ca 0.07 0.11 -0.10 0.00 0.00 0.00 0.00 51.96 52.04 1x9l s ALA 139 Cb -0.08 -3.13 0.03 0.00 0.00 0.00 0.00 23.12 19.93 1x9l s ALA 139 CO 0.01 -0.40 0.19 0.00 0.00 0.00 0.00 175.76 175.56 1x9l s ALA 140 N 1.52 3.25 -0.54 0.00 0.00 0.62 -0.75 121.76 125.86 1x9l s ALA 140 Ca 0.39 -1.70 -0.23 0.00 0.00 0.00 0.00 51.96 50.43 1x9l s ALA 140 Cb -0.17 -2.54 0.05 0.00 0.00 0.00 0.00 23.12 20.46 1x9l s ALA 140 CO 0.16 -1.34 0.84 0.99 0.00 0.00 0.00 175.76 176.41 1x9l s THR 141 N 1.54 4.54 -0.82 0.00 2.01 0.07 -0.69 115.64 122.29 1x9l s THR 141 Ca 0.02 0.04 -0.22 0.00 0.31 0.00 0.00 61.69 61.83 1x9l s THR 141 Cb -0.19 -4.47 0.08 0.00 0.01 0.00 0.00 72.50 67.93 1x9l s THR 141 CO 0.06 -1.02 1.15 -0.69 -0.69 0.00 0.00 174.62 173.42 1x9l s VAL 142 N 3.54 4.29 -0.44 3.82 1.01 0.11 -0.32 120.40 132.41 1x9l s VAL 142 Ca 0.26 -0.70 0.07 0.00 0.00 0.00 0.00 61.98 61.61 1x9l s VAL 142 Cb -0.15 -4.81 0.34 0.00 0.00 0.00 0.00 36.38 31.76 1x9l s VAL 142 CO 0.17 -1.62 1.14 2.29 0.00 0.00 0.00 175.10 177.08 1x9l n LYS 143 N 7.80 1.06 -1.33 2.72 -0.00 0.41 -0.17 118.16 128.66 1x9l n LYS 143 Ca 0.12 -2.05 0.17 0.00 -0.00 0.00 0.00 58.31 56.55 1x9l n LYS 143 Cb 0.48 -0.86 -0.06 0.00 -0.00 0.00 0.00 35.03 34.58 1x9l n LYS 143 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1x9l n LYS 144 N 0.13 -2.89 -2.31 -1.58 5.02 -1.14 -4.45 118.16 110.95 1x9l n LYS 144 Ca 0.05 2.16 -0.37 0.00 -2.02 0.00 0.00 58.31 58.13 1x9l n LYS 144 Cb 0.73 -3.44 -0.03 0.00 -0.02 0.00 0.00 35.03 32.27 1x9l n LYS 144 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1x9l s ASN 145 N -7.07 5.79 0.00 4.39 2.47 -1.26 -4.38 114.94 114.88 1x9l s ASN 145 Ca 0.00 -0.55 0.00 0.00 0.42 0.00 0.00 52.86 52.73 1x9l s ASN 145 Cb 0.00 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.25 1x9l s ASN 145 CO 0.00 -2.10 0.00 -0.38 -3.72 0.00 0.00 177.10 170.90 1x9l n ILE 146 N 7.06 0.00 -1.20 -5.21 5.41 -1.26 -4.94 119.36 119.21 1x9l n ILE 146 Ca 0.23 0.00 -0.47 0.00 1.00 0.00 0.00 62.75 63.51 1x9l n ILE 146 Cb 0.50 0.00 -0.07 0.00 -0.71 0.00 0.00 39.64 39.36 1x9l n ILE 146 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 1x9l n GLU 147 N 0.00 0.00 0.00 0.38 2.13 -1.26 -4.02 120.64 117.87 1x9l n GLU 147 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1x9l n GLU 147 Cb 0.00 -1.09 0.00 0.00 0.27 0.00 0.00 31.44 30.62 1x9l n GLU 147 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1x9l n GLY 148 N 2.26 1.61 0.00 8.31 0.00 -1.26 -4.71 105.19 111.40 1x9l n GLY 148 Ca 0.20 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1x9l n GLY 148 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36