#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 -1.44 3.41 3.03 0.00 -1.26 -5.14 105.19 103.80 1x9l n GLY 2 Ca 0.00 -1.26 -0.10 0.00 0.00 0.00 0.00 46.02 44.66 1x9l n GLY 2 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1x9l s HIS 3 N -1.51 -0.08 0.20 1.61 0.09 -1.26 -5.19 115.29 109.15 1x9l s HIS 3 Ca 0.00 -0.25 -0.23 0.00 -0.00 0.00 0.00 55.06 54.57 1x9l s HIS 3 Cb 0.00 0.28 0.06 0.00 -0.00 0.00 0.00 32.58 32.91 1x9l s HIS 3 CO 0.00 -0.80 0.92 -0.08 -0.00 0.00 0.00 174.74 174.78 1x9l s THR 4 N -3.86 0.00 0.01 1.30 -1.32 -1.26 -5.19 115.64 105.33 1x9l s THR 4 Ca 0.08 -0.74 -0.19 0.00 -1.21 0.00 0.00 61.69 59.63 1x9l s THR 4 Cb 0.01 -2.18 0.04 0.00 -1.51 0.00 0.00 72.50 68.86 1x9l s THR 4 CO -0.06 0.00 0.42 -0.04 -2.21 0.00 0.00 174.62 172.72 1x9l s MET 5 N -3.18 0.86 1.01 7.08 1.00 -1.26 -5.18 119.30 119.63 1x9l s MET 5 Ca 0.14 -0.23 -0.14 0.00 0.00 0.00 0.00 55.69 55.46 1x9l s MET 5 Cb -0.03 0.39 0.19 0.00 0.00 0.00 0.00 34.83 35.38 1x9l s MET 5 CO 0.04 -0.28 1.12 -1.25 0.00 0.00 0.00 175.02 174.66 1x9l s PRO 6 N -1.95 0.34 0.21 2.03 0.04 -1.26 -5.10 135.00 129.30 1x9l s PRO 6 Ca -0.09 0.28 -0.16 0.00 0.04 0.00 0.00 61.00 61.08 1x9l s PRO 6 Cb -0.02 -1.75 0.02 0.00 0.04 0.00 0.00 34.50 32.79 1x9l s PRO 6 CO 0.01 -2.74 0.51 0.00 0.04 0.00 0.00 177.00 174.82 1x9l s ALA 7 N -3.12 -0.76 0.48 8.56 0.00 -1.26 -5.18 121.76 120.48 1x9l s ALA 7 Ca 0.66 -0.39 0.06 0.00 0.00 0.00 0.00 51.96 52.29 1x9l s ALA 7 Cb -0.15 0.88 0.08 0.00 0.00 0.00 0.00 23.12 23.93 1x9l s ALA 7 CO 0.56 -0.81 0.64 0.72 0.00 0.00 0.00 175.76 176.87 1x9l n HIS 8 N -0.34 -2.56 -3.76 0.00 8.25 -1.26 -5.16 115.22 110.40 1x9l n HIS 8 Ca -0.08 -1.58 -0.13 0.00 -0.26 0.00 0.00 57.72 55.67 1x9l n HIS 8 Cb 0.62 -0.45 -0.11 0.00 1.12 0.00 0.00 29.99 31.18 1x9l n HIS 8 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1x9l s THR 9 N -1.86 0.00 0.71 1.59 -1.32 -1.26 -5.17 115.64 108.34 1x9l s THR 9 Ca 0.47 -0.03 -0.11 0.00 -1.21 0.00 0.00 61.69 60.81 1x9l s THR 9 Cb -0.04 -0.47 0.02 0.00 -1.51 0.00 0.00 72.50 70.50 1x9l s THR 9 CO 0.30 -0.02 1.07 -2.16 -2.21 0.00 0.00 174.62 171.61 1x9l s PRO 10 N 0.08 2.81 -1.12 7.08 0.04 -1.26 -4.92 135.00 137.70 1x9l s PRO 10 Ca -0.01 0.78 -0.23 0.00 0.04 0.00 0.00 61.00 61.59 1x9l s PRO 10 Cb -0.02 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 32.43 1x9l s PRO 10 CO 0.01 -1.14 1.93 -0.35 0.04 0.00 0.00 177.00 177.48 1x9l n PRO 11 N -3.13 1.60 -1.72 0.56 -0.04 -1.26 -4.91 135.00 126.09 1x9l n PRO 11 Ca 0.07 -2.38 -0.60 0.00 -0.04 0.00 0.00 63.50 60.55 1x9l n PRO 11 Cb 0.55 -3.60 -0.08 0.00 -0.04 0.00 0.00 33.50 30.33 1x9l n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x9l n ALA 12 N 13.22 -0.45 -3.31 0.55 0.00 -1.26 -4.95 120.51 124.31 1x9l n ALA 12 Ca 0.46 0.41 -0.15 0.00 0.00 0.00 0.00 53.44 54.16 1x9l n ALA 12 Cb 0.46 -2.16 -0.07 0.00 0.00 0.00 0.00 19.45 17.68 1x9l n ALA 12 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1x9l s GLN 13 N 3.44 0.91 0.09 0.00 -2.07 -1.26 -5.06 119.66 115.71 1x9l s GLN 13 Ca 1.00 -0.12 0.00 0.00 -1.82 0.00 0.00 55.36 54.42 1x9l s GLN 13 Cb -1.17 0.41 0.00 0.00 -1.09 0.00 0.00 33.01 31.16 1x9l s GLN 13 CO 0.70 -0.29 0.00 -2.37 -1.32 0.00 0.00 175.29 172.00 1x9l n THR 14 N 0.82 0.00 -3.71 3.63 5.66 -1.26 -5.14 114.28 114.27 1x9l n THR 14 Ca -0.19 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.66 1x9l n THR 14 Cb 0.58 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.28 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 -2.00 -0.99 -1.39 1.79 0.00 -1.26 -5.06 121.76 112.84 1x9l s ALA 15 Ca 0.00 0.55 -0.10 0.00 0.00 0.00 0.00 51.96 52.41 1x9l s ALA 15 Cb 0.00 0.04 -0.07 0.00 0.00 0.00 0.00 23.12 23.09 1x9l s ALA 15 CO 0.00 -0.28 2.62 -0.35 0.00 0.00 0.00 175.76 177.74 1x9l n PRO 16 N 1.24 3.09 -2.69 0.00 -0.04 -1.26 -4.01 135.00 131.33 1x9l n PRO 16 Ca -0.21 -2.04 -0.05 0.00 -0.04 0.00 0.00 63.50 61.16 1x9l n PRO 16 Cb 0.56 -2.77 0.12 0.00 -0.04 0.00 0.00 33.50 31.36 1x9l n PRO 16 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x9l n ALA 17 N 4.21 2.10 -2.81 0.55 0.00 -1.26 -5.03 120.51 118.27 1x9l n ALA 17 Ca 0.66 -1.35 -0.06 0.00 0.00 0.00 0.00 53.44 52.69 1x9l n ALA 17 Cb 0.23 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.77 1x9l n ALA 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x9l n ALA 18 N -0.96 -1.48 -3.34 0.00 0.00 -1.26 -5.14 120.51 108.34 1x9l n ALA 18 Ca -0.08 -1.22 -0.14 0.00 0.00 0.00 0.00 53.44 52.00 1x9l n ALA 18 Cb 0.86 -1.43 -0.08 0.00 0.00 0.00 0.00 19.45 18.79 1x9l n ALA 18 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1x9l s GLN 19 N 0.79 0.70 -1.18 0.00 0.74 -1.26 -5.06 119.66 114.38 1x9l s GLN 19 Ca 0.30 0.22 -0.13 0.00 0.05 0.00 0.00 55.36 55.81 1x9l s GLN 19 Cb 0.01 0.33 -0.06 0.00 1.10 0.00 0.00 33.01 34.39 1x9l s GLN 19 CO -0.07 -0.17 2.30 0.36 -0.55 0.00 0.00 175.29 177.16 1x9l n LYS 20 N 1.79 2.52 -1.15 1.67 2.85 -1.26 -4.85 118.16 119.74 1x9l n LYS 20 Ca -0.18 -2.00 -0.37 0.00 -1.05 0.00 0.00 58.31 54.71 1x9l n LYS 20 Cb 0.56 -2.85 -0.03 0.00 -0.65 0.00 0.00 35.03 32.06 1x9l n LYS 20 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1x9l n ALA 21 N 5.28 4.33 -2.04 0.58 0.00 -1.26 -4.93 120.51 122.47 1x9l n ALA 21 Ca 0.56 -3.08 -0.42 0.00 0.00 0.00 0.00 53.44 50.50 1x9l n ALA 21 Cb 0.28 -3.44 -0.03 0.00 0.00 0.00 0.00 19.45 16.27 1x9l n ALA 21 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1x9l s GLY 22 N 4.10 1.62 0.10 0.00 0.00 -1.26 -4.93 107.32 106.95 1x9l s GLY 22 Ca 0.52 1.00 -0.17 0.00 0.00 0.00 0.00 44.72 46.07 1x9l s GLY 22 CO 0.03 2.85 1.56 0.00 0.00 0.00 0.00 173.10 177.55 1x9l h ALA 23 N 8.71 0.41 -0.94 3.20 0.00 -2.04 -3.49 119.26 125.11 1x9l h ALA 23 Ca -0.40 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1x9l h ALA 23 Cb 1.18 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1x9l h ALA 23 CO 0.93 0.12 0.00 1.04 0.00 0.00 0.00 179.25 181.34 1x9l n GLN 24 N -4.60 0.00 -3.83 0.00 6.02 -1.26 -5.02 117.38 108.68 1x9l n GLN 24 Ca -0.02 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.91 1x9l n GLN 24 Cb 0.23 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.50 1x9l n GLN 24 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1x9l s ALA 25 N -1.94 -1.26 -0.05 -1.58 0.00 -1.26 -5.18 121.76 110.48 1x9l s ALA 25 Ca 0.00 -0.38 0.01 0.00 0.00 0.00 0.00 51.96 51.59 1x9l s ALA 25 Cb 0.00 0.72 0.02 0.00 0.00 0.00 0.00 23.12 23.86 1x9l s ALA 25 CO 0.00 -1.03 -0.06 -1.17 0.00 0.00 0.00 175.76 173.50 1x9l s LEU 26 N -3.13 1.35 0.50 0.00 0.20 -1.26 -5.14 118.68 111.19 1x9l s LEU 26 Ca 0.16 -0.17 -0.20 0.00 0.69 0.00 0.00 54.13 54.61 1x9l s LEU 26 Cb -0.04 -0.55 -0.07 0.00 -0.43 0.00 0.00 46.19 45.10 1x9l s LEU 26 CO 0.07 -0.05 1.09 -2.16 -0.29 0.00 0.00 176.35 175.01 1x9l s PRO 27 N 0.96 3.63 -0.53 0.98 0.04 -1.26 -4.54 135.00 134.28 1x9l s PRO 27 Ca -0.10 1.51 -0.06 0.00 0.04 0.00 0.00 61.00 62.39 1x9l s PRO 27 Cb -0.14 -2.11 -0.13 0.00 0.04 0.00 0.00 34.50 32.15 1x9l s PRO 27 CO 0.00 -0.60 3.22 1.33 0.04 0.00 0.00 177.00 180.99 1x9l n VAL 28 N -1.01 3.52 -2.71 -0.36 0.24 -1.26 -4.08 118.33 112.67 1x9l n VAL 28 Ca 0.10 -2.26 -0.08 0.00 -2.04 0.00 0.00 64.34 60.06 1x9l n VAL 28 Cb 0.51 -2.05 0.10 0.00 -1.47 0.00 0.00 33.84 30.93 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 2.32 0.20 -1.92 3.34 -2.24 -1.18 -4.18 114.28 110.62 1x9l n THR 29 Ca 0.53 -1.90 -0.41 0.00 -2.27 0.00 0.00 64.05 59.99 1x9l n THR 29 Cb 0.65 0.94 -0.00 0.00 -2.10 0.00 0.00 70.33 69.82 1x9l n THR 29 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1x9l n VAL 30 N -0.39 4.13 -4.13 2.28 3.14 -1.25 -4.85 118.33 117.25 1x9l n VAL 30 Ca 0.01 -3.62 -0.09 0.00 -2.96 0.00 0.00 64.34 57.68 1x9l n VAL 30 Cb 0.83 -2.45 -0.10 0.00 -1.06 0.00 0.00 33.84 31.06 1x9l n VAL 30 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1x9l s GLN 31 N 1.47 0.76 -0.63 1.45 1.03 -1.26 -4.77 119.66 117.71 1x9l s GLN 31 Ca 0.48 -1.31 0.06 0.00 0.04 0.00 0.00 55.36 54.63 1x9l s GLN 31 Cb 0.14 0.08 0.22 0.00 0.03 0.00 0.00 33.01 33.47 1x9l s GLN 31 CO -0.05 -0.12 0.64 0.41 -2.54 0.00 0.00 175.29 173.63 1x9l n GLY 32 N 0.01 4.32 2.86 2.60 0.00 -1.26 -5.07 105.19 108.64 1x9l n GLY 32 Ca -0.11 -2.57 -0.52 0.00 0.00 0.00 0.00 46.02 42.82 1x9l n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x9l n ALA 33 N 1.31 -0.62 -3.96 4.61 0.00 -1.26 -4.71 120.51 115.88 1x9l n ALA 33 Ca 0.26 0.31 -0.33 0.00 0.00 0.00 0.00 53.44 53.68 1x9l n ALA 33 Cb 0.40 -1.59 -0.15 0.00 0.00 0.00 0.00 19.45 18.12 1x9l n ALA 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1x9l s THR 34 N 3.30 2.41 -0.12 0.00 2.01 -1.24 -0.25 115.64 121.75 1x9l s THR 34 Ca 0.89 -1.73 -0.25 0.00 0.31 0.00 0.00 61.69 60.90 1x9l s THR 34 Cb -1.20 -2.49 -0.02 0.00 0.01 0.00 0.00 72.50 68.79 1x9l s THR 34 CO 0.61 -0.18 0.81 -0.69 -0.69 0.00 0.00 174.62 174.48 1x9l s VAL 35 N 1.10 4.93 -0.04 3.82 1.01 0.37 -0.79 120.40 130.81 1x9l s VAL 35 Ca -0.04 1.62 -0.30 0.00 0.00 0.00 0.00 61.98 63.27 1x9l s VAL 35 Cb -0.20 -4.13 -0.06 0.00 0.00 0.00 0.00 36.38 31.99 1x9l s VAL 35 CO -0.05 0.12 1.78 0.00 0.00 0.00 0.00 175.10 176.95 1x9l s ALA 36 N 1.58 3.55 0.15 5.51 0.00 0.05 0.12 121.76 132.71 1x9l s ALA 36 Ca 0.40 1.03 -0.34 0.00 0.00 0.00 0.00 51.96 53.05 1x9l s ALA 36 Cb -0.17 -3.80 -0.14 0.00 0.00 0.00 0.00 23.12 19.01 1x9l s ALA 36 CO 0.16 -1.54 1.57 0.00 0.00 0.00 0.00 175.76 175.95 1x9l n ALA 37 N 7.53 1.23 -0.66 0.00 0.00 -1.26 -4.60 120.51 122.75 1x9l n ALA 37 Ca 0.19 0.45 -0.31 0.00 0.00 0.00 0.00 53.44 53.76 1x9l n ALA 37 Cb 0.42 -2.34 -0.06 0.00 0.00 0.00 0.00 19.45 17.47 1x9l n ALA 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1x9l n VAL 38 N 3.39 0.00 -0.69 0.00 0.31 -1.26 -4.76 118.33 115.32 1x9l n VAL 38 Ca 0.17 0.00 -0.28 0.00 -0.01 0.00 0.00 64.34 64.22 1x9l n VAL 38 Cb 0.28 -0.26 0.24 0.00 -0.91 0.00 0.00 33.84 33.19 1x9l n VAL 38 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 1x9l s PRO 39 N 3.19 -0.86 -0.77 5.55 0.02 -1.26 -4.84 135.00 136.04 1x9l s PRO 39 Ca 0.63 0.66 -0.06 0.00 0.02 0.00 0.00 61.00 62.26 1x9l s PRO 39 Cb -0.78 -1.57 -0.09 0.00 0.02 0.00 0.00 34.50 32.08 1x9l s PRO 39 CO 0.34 -3.64 2.30 -0.35 -0.33 0.00 0.00 177.00 175.33 1x9l n PRO 40 N -4.83 2.07 -2.69 5.54 -0.04 -1.26 -3.84 135.00 129.95 1x9l n PRO 40 Ca 0.04 -1.34 -0.04 0.00 -0.04 0.00 0.00 63.50 62.12 1x9l n PRO 40 Cb 0.56 -2.33 0.11 0.00 -0.04 0.00 0.00 33.50 31.80 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 3.75 -1.21 -0.29 3.54 7.64 -1.26 -5.15 113.62 120.64 1x9l n SER 41 Ca 0.44 -2.31 0.04 0.00 1.01 0.00 0.00 58.87 58.05 1x9l n SER 41 Cb 0.25 0.64 -0.02 0.00 -1.01 0.00 0.00 64.21 64.07 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 -1.09 -0.04 0.16 0.44 2.08 -1.25 -4.57 119.36 115.09 1x9l n ILE 42 Ca -0.10 0.12 0.05 0.00 0.56 0.00 0.00 62.75 63.38 1x9l n ILE 42 Cb 0.86 -0.22 0.23 0.00 -0.75 0.00 0.00 39.64 39.77 1x9l n ILE 42 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 1x9l n ARG 43 N -2.80 0.05 -1.60 0.38 3.00 -1.26 -4.54 116.66 109.90 1x9l n ARG 43 Ca -0.01 0.48 -0.32 0.00 -0.00 0.00 0.00 57.85 58.00 1x9l n ARG 43 Cb 0.14 -1.64 0.06 0.00 0.00 0.00 0.00 32.46 31.01 1x9l n ARG 43 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.63 177.79 1x9l s ASP 44 N -3.35 5.11 0.09 6.15 -4.77 -1.26 -1.09 116.67 117.55 1x9l s ASP 44 Ca 0.01 1.80 -0.10 0.00 -3.30 0.00 0.00 52.55 50.96 1x9l s ASP 44 Cb 0.04 -2.52 0.04 0.00 -1.09 0.00 0.00 42.92 39.38 1x9l s ASP 44 CO 0.13 -1.63 0.49 1.07 0.70 0.00 0.00 175.17 175.93 1x9l n THR 45 N -2.90 0.00 -3.75 2.11 5.66 -1.22 -4.59 114.28 109.59 1x9l n THR 45 Ca 0.09 -0.27 -0.10 0.00 -3.05 0.00 0.00 64.05 60.72 1x9l n THR 45 Cb 0.53 0.37 -0.04 0.00 -1.55 0.00 0.00 70.33 69.64 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 -1.50 -0.87 -0.11 1.79 0.00 -1.26 -0.42 121.76 119.40 1x9l s ALA 46 Ca 0.11 -0.26 -0.06 0.00 0.00 0.00 0.00 51.96 51.75 1x9l s ALA 46 Cb -0.01 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.92 1x9l s ALA 46 CO 0.03 -0.79 0.12 0.00 0.00 0.00 0.00 175.76 175.11 1x9l s ALA 47 N -3.88 3.77 -0.22 0.00 0.00 0.03 -0.77 121.76 120.70 1x9l s ALA 47 Ca 0.10 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.38 1x9l s ALA 47 Cb -0.01 -1.87 0.06 0.00 0.00 0.00 0.00 23.12 21.30 1x9l s ALA 47 CO -0.03 0.62 -0.04 0.71 0.00 0.00 0.00 175.76 177.02 1x9l s TYR 48 N -1.02 2.11 0.13 0.00 2.02 0.03 -3.78 117.35 116.84 1x9l s TYR 48 Ca 0.15 -1.53 -0.05 0.00 -0.37 0.00 0.00 57.07 55.27 1x9l s TYR 48 Cb -0.12 -1.47 0.02 0.00 -0.40 0.00 0.00 41.96 39.99 1x9l s TYR 48 CO 0.05 -0.73 0.26 0.00 -1.57 0.00 0.00 175.55 173.55 1x9l n MET 49 N 4.75 0.37 -3.83 -0.62 0.00 -0.65 -3.72 117.12 113.42 1x9l n MET 49 Ca -0.12 -0.72 -0.21 0.00 0.00 0.00 0.00 57.70 56.65 1x9l n MET 49 Cb 0.45 0.90 -0.04 0.00 0.00 0.00 0.00 33.22 34.53 1x9l n MET 49 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 1x9l s THR 50 N -2.71 3.54 0.10 3.17 -1.32 -1.26 -0.29 115.64 116.86 1x9l s THR 50 Ca 0.05 -1.38 0.08 0.00 -1.21 0.00 0.00 61.69 59.23 1x9l s THR 50 Cb -0.02 -3.18 -0.03 0.00 -1.51 0.00 0.00 72.50 67.76 1x9l s THR 50 CO 0.04 -0.18 -0.20 -0.76 -2.21 0.00 0.00 174.62 171.31 1x9l s LEU 51 N -3.99 2.30 -0.24 9.08 1.02 -0.29 -4.70 118.68 121.86 1x9l s LEU 51 Ca 0.41 -0.68 -0.03 0.00 0.02 0.00 0.00 54.13 53.85 1x9l s LEU 51 Cb -0.06 -0.86 0.13 0.00 0.02 0.00 0.00 46.19 45.42 1x9l s LEU 51 CO 0.26 0.05 0.39 -0.89 0.02 0.00 0.00 176.35 176.18 1x9l s THR 52 N -1.16 -0.62 0.29 5.49 2.01 -1.24 -2.47 115.64 117.93 1x9l s THR 52 Ca 0.06 -0.06 -0.27 0.00 0.31 0.00 0.00 61.69 61.73 1x9l s THR 52 Cb -0.10 -0.81 -0.09 0.00 0.01 0.00 0.00 72.50 71.50 1x9l s THR 52 CO 0.04 -0.11 0.93 0.20 -0.69 0.00 0.00 174.62 174.99 1x9l s ASN 53 N 2.56 7.43 -0.41 3.53 0.01 0.71 -3.09 114.94 125.68 1x9l s ASN 53 Ca 0.12 1.85 0.09 0.00 -0.71 0.00 0.00 52.86 54.21 1x9l s ASN 53 Cb -0.15 -2.58 0.29 0.00 0.41 0.00 0.00 41.25 39.22 1x9l s ASN 53 CO -0.16 0.02 0.63 0.29 -1.51 0.00 0.00 177.10 176.37 1x9l n LYS 54 N 0.90 1.02 0.00 -0.60 4.76 -1.26 -4.84 118.16 118.14 1x9l n LYS 54 Ca 0.00 -3.43 0.00 0.00 -2.87 0.00 0.00 58.31 52.01 1x9l n LYS 54 Cb 0.49 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 1x9l n LYS 54 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1x9l n SER 55 N 0.90 0.00 -1.20 4.39 3.41 -1.26 -4.36 113.62 115.50 1x9l n SER 55 Ca 0.23 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.84 1x9l n SER 55 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 1x9l n SER 55 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1x9l n ASP 56 N 0.00 -1.60 -4.34 4.04 9.92 -1.26 -4.96 116.55 118.35 1x9l n ASP 56 Ca 0.00 0.00 -0.19 0.00 -0.53 0.00 0.00 54.79 54.07 1x9l n ASP 56 Cb 0.00 -0.71 -0.10 0.00 -0.64 0.00 0.00 41.12 39.67 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 -2.80 1.32 -1.19 -1.24 1.11 -1.26 -4.34 119.66 111.26 1x9l s GLN 57 Ca 0.00 -1.57 -0.17 0.00 0.01 0.00 0.00 55.36 53.63 1x9l s GLN 57 Cb 0.00 -1.14 -0.04 0.00 -1.01 0.00 0.00 33.01 30.82 1x9l s GLN 57 CO 0.00 0.20 2.11 -0.35 0.01 0.00 0.00 175.29 177.25 1x9l n PRO 58 N -0.30 2.32 -2.70 2.91 -0.04 -1.26 -2.09 135.00 133.85 1x9l n PRO 58 Ca -0.09 -2.31 -0.42 0.00 -0.04 0.00 0.00 63.50 60.64 1x9l n PRO 58 Cb 0.60 -3.15 -0.03 0.00 -0.04 0.00 0.00 33.50 30.88 1x9l n PRO 58 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1x9l s ILE 59 N 3.94 4.21 -0.95 0.52 -1.09 -1.19 -4.86 121.20 121.77 1x9l s ILE 59 Ca 0.51 -1.02 -0.22 0.00 -2.23 0.00 0.00 60.65 57.70 1x9l s ILE 59 Cb 0.14 -4.95 0.08 0.00 -1.58 0.00 0.00 42.46 36.15 1x9l s ILE 59 CO -0.01 -1.78 1.31 -1.59 -1.23 0.00 0.00 174.94 171.64 1x9l s LYS 60 N 4.17 3.54 -1.45 2.79 -2.85 -1.26 -4.09 119.74 120.58 1x9l s LYS 60 Ca 0.41 -1.26 -0.12 0.00 -1.00 0.00 0.00 55.97 54.00 1x9l s LYS 60 Cb -0.02 -5.07 0.05 0.00 -2.06 0.00 0.00 37.83 30.72 1x9l s LYS 60 CO -0.09 -2.04 2.26 1.28 0.10 0.00 0.00 175.35 176.86 1x9l n LEU 61 N 8.09 7.10 -3.38 2.77 4.77 -1.20 -3.95 117.00 131.20 1x9l n LEU 61 Ca 0.26 -4.28 -0.39 0.00 -0.03 0.00 0.00 56.01 51.57 1x9l n LEU 61 Cb 0.50 -1.61 -0.02 0.00 -2.33 0.00 0.00 43.42 39.96 1x9l n LEU 61 CO 0.61 1.30 3.15 0.55 -1.33 0.00 0.00 177.39 181.67 1x9l n VAL 62 N 4.51 4.47 -3.49 4.08 3.14 -1.26 -4.64 118.33 125.14 1x9l n VAL 62 Ca 0.53 -2.99 -0.11 0.00 -2.96 0.00 0.00 64.34 58.82 1x9l n VAL 62 Cb 0.36 -2.50 -0.02 0.00 -1.06 0.00 0.00 33.84 30.61 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 1.84 -0.52 -0.44 7.55 0.00 -1.25 -4.50 107.32 110.00 1x9l s GLY 63 Ca 0.65 0.34 0.07 0.00 0.00 0.00 0.00 44.72 45.79 1x9l s GLY 63 CO -0.07 0.08 1.15 0.00 0.00 0.00 0.00 173.10 174.26 1x9l n ALA 64 N -0.37 0.00 -2.01 3.20 0.00 -1.26 -4.60 120.51 115.48 1x9l n ALA 64 Ca -0.15 -1.60 -0.33 0.00 0.00 0.00 0.00 53.44 51.36 1x9l n ALA 64 Cb 0.64 -1.10 -0.06 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.02 3.21 -0.19 0.00 0.00 0.03 -4.80 121.76 119.98 1x9l s ALA 65 Ca 0.23 0.19 -0.28 0.00 0.00 0.00 0.00 51.96 52.11 1x9l s ALA 65 Cb 0.33 -2.93 0.11 0.00 0.00 0.00 0.00 23.12 20.63 1x9l s ALA 65 CO -0.06 0.25 0.94 -0.08 0.00 0.00 0.00 175.76 176.81 1x9l s THR 66 N -2.05 0.00 -0.98 0.00 -1.32 -1.26 0.14 115.64 110.18 1x9l s THR 66 Ca 0.57 0.00 -0.18 0.00 -1.21 0.00 0.00 61.69 60.87 1x9l s THR 66 Cb -0.10 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 69.79 1x9l s THR 66 CO 0.16 0.00 2.06 -0.81 -2.21 0.00 0.00 174.62 173.81 1x9l n PRO 67 N 1.37 1.96 0.10 7.08 -0.04 -1.26 -3.79 135.00 140.41 1x9l n PRO 67 Ca -0.12 -1.98 0.00 0.00 -0.04 0.00 0.00 63.50 61.36 1x9l n PRO 67 Cb 0.57 -2.94 0.00 0.00 -0.04 0.00 0.00 33.50 31.09 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 6.60 -1.38 -4.80 1.53 7.94 -1.26 -4.90 117.00 120.73 1x9l n LEU 68 Ca 0.51 0.36 -0.35 0.00 -1.11 0.00 0.00 56.01 55.41 1x9l n LEU 68 Cb 0.36 1.51 -0.07 0.00 0.53 0.00 0.00 43.42 45.75 1x9l n LEU 68 CO 0.96 -0.28 0.61 0.00 -1.11 0.00 0.00 177.39 177.57 1x9l s ALA 69 N -1.60 3.18 -0.03 1.96 0.00 -1.25 -0.89 121.76 123.13 1x9l s ALA 69 Ca 0.00 0.41 0.02 0.00 0.00 0.00 0.00 51.96 52.39 1x9l s ALA 69 Cb 0.00 -3.11 -0.25 0.00 0.00 0.00 0.00 23.12 19.76 1x9l s ALA 69 CO 0.00 0.19 0.72 1.15 0.00 0.00 0.00 175.76 177.82 1x9l h THR 70 N 2.34 0.98 -2.25 0.00 2.02 0.05 -3.43 112.91 112.63 1x9l h THR 70 Ca -0.48 -2.72 -0.60 0.00 0.77 0.00 0.00 66.41 63.39 1x9l h THR 70 Cb 1.19 2.60 -0.42 0.00 -1.74 0.00 0.00 68.15 69.78 1x9l h THR 70 CO 0.64 0.73 -0.66 -0.24 0.37 0.00 0.00 175.52 176.36 1x9l n SER 71 N -3.31 3.21 -4.57 4.18 2.88 0.62 -5.01 113.62 111.62 1x9l n SER 71 Ca -0.18 -3.32 -0.42 0.00 -1.33 0.00 0.00 58.87 53.62 1x9l n SER 71 Cb 1.04 -0.67 -0.03 0.00 -0.75 0.00 0.00 64.21 63.80 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 -2.20 3.36 0.27 -1.46 0.04 -1.26 -1.34 135.00 132.41 1x9l s PRO 72 Ca 0.38 0.23 0.04 0.00 0.04 0.00 0.00 61.00 61.69 1x9l s PRO 72 Cb 0.13 -4.09 -0.06 0.00 0.04 0.00 0.00 34.50 30.53 1x9l s PRO 72 CO -0.04 -1.88 0.01 -1.64 0.04 0.00 0.00 177.00 173.49 1x9l s MET 73 N 5.33 1.46 0.02 4.56 -1.94 0.08 -4.76 119.30 124.06 1x9l s MET 73 Ca 0.45 -1.76 0.06 0.00 -1.71 0.00 0.00 55.69 52.72 1x9l s MET 73 Cb -0.09 -0.77 -0.03 0.00 2.01 0.00 0.00 34.83 35.95 1x9l s MET 73 CO 0.23 -0.10 -0.15 -0.51 -0.01 0.00 0.00 175.02 174.48 1x9l s LEU 74 N -3.38 2.76 0.03 -0.03 1.02 -1.26 -0.02 118.68 117.81 1x9l s LEU 74 Ca 0.31 -0.33 -0.03 0.00 0.02 0.00 0.00 54.13 54.10 1x9l s LEU 74 Cb 0.06 -1.60 -0.02 0.00 0.02 0.00 0.00 46.19 44.65 1x9l s LEU 74 CO 0.11 0.27 0.03 -0.32 0.02 0.00 0.00 176.35 176.47 1x9l s MET 75 N -1.36 0.46 -0.23 1.70 1.75 -0.20 -1.17 119.30 120.26 1x9l s MET 75 Ca 0.15 -0.69 -0.03 0.00 -1.25 0.00 0.00 55.69 53.86 1x9l s MET 75 Cb -0.11 0.17 0.11 0.00 2.84 0.00 0.00 34.83 37.85 1x9l s MET 75 CO 0.05 -0.10 0.28 -0.08 -0.65 0.00 0.00 175.02 174.53 1x9l s THR 76 N -2.09 -0.42 -0.38 10.11 -1.32 -1.26 -1.26 115.64 119.01 1x9l s THR 76 Ca -0.10 -0.16 0.11 0.00 -1.21 0.00 0.00 61.69 60.34 1x9l s THR 76 Cb -0.05 -0.76 0.32 0.00 -1.51 0.00 0.00 72.50 70.50 1x9l s THR 76 CO -0.03 -0.22 0.68 0.41 -2.21 0.00 0.00 174.62 173.26 1x9l n THR 77 N 5.33 -0.19 -3.66 5.08 -1.04 -1.11 -0.41 114.28 118.29 1x9l n THR 77 Ca -0.04 -4.48 -0.07 0.00 -2.04 0.00 0.00 64.05 57.42 1x9l n THR 77 Cb 0.49 -0.73 -0.08 0.00 -1.82 0.00 0.00 70.33 68.19 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 -2.17 -0.70 -0.74 12.58 2.01 -0.57 -3.01 115.64 123.03 1x9l s THR 78 Ca 0.39 0.12 -0.22 0.00 0.31 0.00 0.00 61.69 62.29 1x9l s THR 78 Cb 0.30 -0.75 -0.17 0.00 0.01 0.00 0.00 72.50 71.90 1x9l s THR 78 CO -0.09 0.05 1.91 1.41 -0.69 0.00 0.00 174.62 177.22 1x9l n HIS 79 N 5.34 1.80 0.11 4.92 -0.00 -1.26 -3.95 115.22 122.18 1x9l n HIS 79 Ca -0.10 -1.75 0.00 0.00 -0.00 0.00 0.00 57.72 55.87 1x9l n HIS 79 Cb 0.50 -1.68 0.00 0.00 -0.00 0.00 0.00 29.99 28.81 1x9l n HIS 79 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1x9l n SER 80 N 7.61 -1.91 0.00 0.41 3.41 -1.26 -5.05 113.62 116.83 1x9l n SER 80 Ca 0.49 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.67 1x9l n SER 80 Cb 0.41 2.00 0.00 0.00 -0.26 0.00 0.00 64.21 66.35 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 -1.28 0.19 0.00 5.00 0.00 -1.25 -4.92 105.19 102.92 1x9l n GLY 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1x9l n GLY 81 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x9l n GLY 82 N 1.57 1.58 4.00 -0.02 0.00 -1.25 -4.49 105.19 106.58 1x9l n GLY 82 Ca 0.00 -1.64 -0.22 0.00 0.00 0.00 0.00 46.02 44.15 1x9l n GLY 82 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1x9l s MET 83 N 3.26 1.99 -0.44 1.61 0.00 -1.26 -4.67 119.30 119.79 1x9l s MET 83 Ca 0.00 -1.16 0.08 0.00 0.00 0.00 0.00 55.69 54.60 1x9l s MET 83 Cb 0.00 -2.43 0.41 0.00 0.00 0.00 0.00 34.83 32.81 1x9l s MET 83 CO 0.00 -1.17 1.04 0.00 0.00 0.00 0.00 175.02 174.89 1x9l n ALA 84 N -2.60 4.56 -3.41 4.11 0.00 -1.24 -1.52 120.51 120.40 1x9l n ALA 84 Ca 0.14 -4.13 -0.08 0.00 0.00 0.00 0.00 53.44 49.36 1x9l n ALA 84 Cb 0.61 -0.66 -0.08 0.00 0.00 0.00 0.00 19.45 19.31 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 -3.40 -0.43 0.00 0.00 0.00 0.45 -4.82 107.32 99.11 1x9l s GLY 85 Ca 0.44 1.11 0.00 0.00 0.00 0.00 0.00 44.72 46.27 1x9l s GLY 85 CO -0.13 2.64 0.44 1.03 0.00 0.00 0.00 173.10 177.07 1x9l n MET 86 N 5.37 0.51 -2.17 2.90 0.00 -1.25 -4.14 117.12 118.35 1x9l n MET 86 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 57.70 57.36 1x9l n MET 86 Cb 0.50 -1.25 0.02 0.00 0.00 0.00 0.00 33.22 32.49 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 0.08 3.34 -0.19 0.03 -2.85 -1.26 -4.88 119.74 114.01 1x9l s LYS 87 Ca 0.00 0.42 -0.28 0.00 -1.00 0.00 0.00 55.97 55.11 1x9l s LYS 87 Cb 0.00 -2.18 -0.00 0.00 -2.06 0.00 0.00 37.83 33.59 1x9l s LYS 87 CO 0.00 -0.57 0.97 1.41 0.10 0.00 0.00 175.35 177.25 1x9l s MET 88 N -5.06 4.29 0.37 1.78 -2.45 -1.26 -4.23 119.30 112.75 1x9l s MET 88 Ca 0.53 1.25 0.08 0.00 -1.25 0.00 0.00 55.69 56.31 1x9l s MET 88 Cb -0.11 -3.61 -0.06 0.00 1.25 0.00 0.00 34.83 32.30 1x9l s MET 88 CO 0.50 -0.49 0.00 0.14 1.05 0.00 0.00 175.02 176.22 1x9l s VAL 89 N 2.69 2.31 0.14 10.11 -7.23 -0.31 -5.03 120.40 123.08 1x9l s VAL 89 Ca 0.43 -2.01 -0.28 0.00 -1.81 0.00 0.00 61.98 58.31 1x9l s VAL 89 Cb -0.16 -2.83 -0.06 0.00 0.56 0.00 0.00 36.38 33.89 1x9l s VAL 89 CO 0.10 -0.12 1.38 -0.81 -0.31 0.00 0.00 175.10 175.34 1x9l n PRO 90 N -0.95 -0.39 -2.32 4.82 -0.04 -1.26 -4.10 135.00 130.76 1x9l n PRO 90 Ca -0.04 1.35 0.00 0.00 -0.04 0.00 0.00 63.50 64.78 1x9l n PRO 90 Cb 0.64 -1.99 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 -5.12 -0.29 -3.44 0.54 -0.00 -1.26 -4.65 117.44 103.22 1x9l n TRP 91 Ca 0.02 -0.19 -0.43 0.00 -0.00 0.00 0.00 57.50 56.89 1x9l n TRP 91 Cb 0.23 0.09 -0.09 0.00 -0.00 0.00 0.00 31.31 31.54 1x9l n TRP 91 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 177.69 176.52 1x9l s LEU 92 N 0.00 5.34 -0.06 5.67 2.96 -1.26 -4.86 118.68 126.47 1x9l s LEU 92 Ca 0.07 -1.15 -0.26 0.00 -0.22 0.00 0.00 54.13 52.57 1x9l s LEU 92 Cb -0.00 -2.15 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 1x9l s LEU 92 CO 0.00 -0.55 0.82 -0.89 -1.32 0.00 0.00 176.35 174.41 1x9l s THR 93 N 1.64 4.96 -0.50 3.68 2.01 -1.26 -3.24 115.64 122.93 1x9l s THR 93 Ca 0.04 1.69 -0.02 0.00 0.31 0.00 0.00 61.69 63.72 1x9l s THR 93 Cb -0.22 -4.15 0.13 0.00 0.01 0.00 0.00 72.50 68.27 1x9l s THR 93 CO 0.08 0.18 0.29 0.27 -0.69 0.00 0.00 174.62 174.75 1x9l s ILE 94 N 1.08 3.31 -1.36 1.82 -4.36 -1.26 -3.76 121.20 116.68 1x9l s ILE 94 Ca 0.43 -2.55 -0.12 0.00 -0.26 0.00 0.00 60.65 58.15 1x9l s ILE 94 Cb -0.19 -3.24 0.11 0.00 1.25 0.00 0.00 42.46 40.39 1x9l s ILE 94 CO 0.21 -0.77 2.03 -0.81 0.24 0.00 0.00 174.94 175.84 1x9l n PRO 95 N 3.99 3.26 -1.31 0.37 -0.04 -1.26 -3.15 135.00 136.86 1x9l n PRO 95 Ca 0.03 -3.10 0.04 0.00 -0.04 0.00 0.00 63.50 60.43 1x9l n PRO 95 Cb 0.39 -3.10 -0.02 0.00 -0.04 0.00 0.00 33.50 30.73 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 5.00 -2.09 -3.56 0.55 0.00 -0.89 -4.72 120.51 114.80 1x9l n ALA 96 Ca 0.46 0.51 -0.26 0.00 0.00 0.00 0.00 53.44 54.14 1x9l n ALA 96 Cb 0.38 -1.33 -0.05 0.00 0.00 0.00 0.00 19.45 18.45 1x9l n ALA 96 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1x9l n ARG 97 N -2.82 -1.30 -1.78 0.00 0.00 -1.26 -4.77 116.66 104.73 1x9l n ARG 97 Ca -0.02 0.09 -0.25 0.00 -0.00 0.00 0.00 57.85 57.67 1x9l n ARG 97 Cb 0.45 -3.95 -0.05 0.00 0.00 0.00 0.00 32.46 28.91 1x9l n ARG 97 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1x9l s GLY 98 N -2.57 -0.31 -0.21 5.14 0.00 -1.26 -4.81 107.32 103.30 1x9l s GLY 98 Ca 0.51 -0.85 -0.04 0.00 0.00 0.00 0.00 44.72 44.34 1x9l s GLY 98 CO 0.63 3.88 0.09 -1.08 0.00 0.00 0.00 173.10 176.62 1x9l s THR 99 N 12.10 0.05 0.09 0.90 -1.32 -1.26 -0.21 115.64 126.00 1x9l s THR 99 Ca 0.83 -0.42 0.00 0.00 -1.21 0.00 0.00 61.69 60.89 1x9l s THR 99 Cb -0.12 -0.79 -0.00 0.00 -1.51 0.00 0.00 72.50 70.08 1x9l s THR 99 CO 0.10 -0.39 0.01 -0.11 -2.21 0.00 0.00 174.62 172.02 1x9l n LEU 100 N 5.22 0.00 -3.91 9.08 7.94 -1.03 -4.86 117.00 129.44 1x9l n LEU 100 Ca -0.07 -0.61 -0.11 0.00 -1.11 0.00 0.00 56.01 54.11 1x9l n LEU 100 Cb 0.47 0.10 -0.13 0.00 0.53 0.00 0.00 43.42 44.39 1x9l n LEU 100 CO 0.09 -0.09 -0.35 0.28 -1.11 0.00 0.00 177.39 176.21 1x9l s THR 101 N -1.47 0.04 -0.15 1.96 -1.32 -1.26 -1.14 115.64 112.30 1x9l s THR 101 Ca 0.01 -0.32 -0.01 0.00 -1.21 0.00 0.00 61.69 60.17 1x9l s THR 101 Cb 0.00 -0.10 0.04 0.00 -1.51 0.00 0.00 72.50 70.92 1x9l s THR 101 CO 0.01 -0.17 -0.05 -0.76 -2.21 0.00 0.00 174.62 171.43 1x9l s LEU 102 N -0.51 1.43 0.12 9.08 1.02 0.60 -4.76 118.68 125.65 1x9l s LEU 102 Ca -0.06 -0.54 -0.10 0.00 0.02 0.00 0.00 54.13 53.46 1x9l s LEU 102 Cb -0.04 -0.86 0.00 0.00 0.02 0.00 0.00 46.19 45.32 1x9l s LEU 102 CO -0.00 -0.17 0.24 0.00 0.02 0.00 0.00 176.35 176.44 1x9l s GLN 103 N 1.68 0.96 0.06 1.70 -2.07 0.72 -1.63 119.66 121.08 1x9l s GLN 103 Ca 0.02 -0.99 -0.30 0.00 -1.82 0.00 0.00 55.36 52.27 1x9l s GLN 103 Cb -0.14 0.37 -0.09 0.00 -1.09 0.00 0.00 33.01 32.06 1x9l s GLN 103 CO -0.08 -0.33 1.79 0.50 -1.32 0.00 0.00 175.29 175.85 1x9l s ARG 104 N -3.88 4.16 -1.12 9.60 3.52 -1.26 -2.62 118.95 127.35 1x9l s ARG 104 Ca 0.08 2.47 -0.21 0.00 -0.13 0.00 0.00 55.73 57.94 1x9l s ARG 104 Cb 0.04 -3.82 -0.00 0.00 -1.56 0.00 0.00 34.95 29.61 1x9l s ARG 104 CO -0.08 -0.85 0.77 -3.47 -0.81 0.00 0.00 175.30 170.87 1x9l n ASP 105 N 6.41 -5.29 0.00 -2.12 2.03 -1.26 -4.93 116.55 111.39 1x9l n ASP 105 Ca 0.18 -1.01 0.00 0.00 0.52 0.00 0.00 54.79 54.47 1x9l n ASP 105 Cb 0.40 -3.18 0.00 0.00 -0.72 0.00 0.00 41.12 37.63 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 -1.73 -1.82 0.21 0.27 0.00 -1.08 -5.04 105.19 96.01 1x9l n GLY 106 Ca -0.10 0.89 0.00 0.00 0.00 0.00 0.00 46.02 46.81 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 0.00 -2.38 -3.62 1.61 -0.08 -1.16 -4.08 116.55 106.84 1x9l n ASP 107 Ca 0.00 0.07 -0.03 0.00 -1.51 0.00 0.00 54.79 53.31 1x9l n ASP 107 Cb 0.00 0.23 -0.03 0.00 2.34 0.00 0.00 41.12 43.67 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 -0.80 -0.08 -0.23 -0.67 -3.43 -0.39 -0.20 115.29 109.49 1x9l s HIS 108 Ca 0.00 0.08 -0.16 0.00 -0.80 0.00 0.00 55.06 54.17 1x9l s HIS 108 Cb 0.00 0.50 -0.04 0.00 -1.43 0.00 0.00 32.58 31.62 1x9l s HIS 108 CO 0.00 -0.12 0.42 0.08 -2.00 0.00 0.00 174.74 173.12 1x9l s VAL 109 N -1.96 5.17 -0.51 -5.38 1.01 -1.25 -1.03 120.40 116.44 1x9l s VAL 109 Ca 0.10 0.72 -0.19 0.00 0.00 0.00 0.00 61.98 62.61 1x9l s VAL 109 Cb -0.01 -3.75 0.06 0.00 0.00 0.00 0.00 36.38 32.69 1x9l s VAL 109 CO -0.04 0.20 0.63 -0.04 0.00 0.00 0.00 175.10 175.85 1x9l s MET 110 N 1.66 3.11 -1.31 2.72 -1.94 0.98 -0.79 119.30 123.74 1x9l s MET 110 Ca 0.19 -0.94 -0.09 0.00 -1.71 0.00 0.00 55.69 53.13 1x9l s MET 110 Cb -0.15 -4.12 0.15 0.00 2.01 0.00 0.00 34.83 32.72 1x9l s MET 110 CO 0.09 -1.25 1.98 1.28 -0.01 0.00 0.00 175.02 177.11 1x9l n LEU 111 N 6.17 6.88 -4.85 -0.03 4.77 0.44 -0.74 117.00 129.63 1x9l n LEU 111 Ca -0.07 -4.63 -0.31 0.00 -0.03 0.00 0.00 56.01 50.96 1x9l n LEU 111 Cb 0.45 -1.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.03 1x9l n LEU 111 CO 0.54 1.45 0.60 -0.32 -1.33 0.00 0.00 177.39 178.34 1x9l s MET 112 N 0.44 3.88 -0.78 3.23 1.75 -0.45 -3.42 119.30 123.95 1x9l s MET 112 Ca 0.42 0.78 -0.04 0.00 -1.25 0.00 0.00 55.69 55.60 1x9l s MET 112 Cb 0.11 -2.22 -0.05 0.00 2.84 0.00 0.00 34.83 35.51 1x9l s MET 112 CO -0.01 -0.20 0.69 0.41 -0.65 0.00 0.00 175.02 175.26 1x9l n GLY 113 N -1.52 -0.72 3.65 2.11 0.00 -1.21 -0.28 105.19 107.22 1x9l n GLY 113 Ca 0.05 0.38 -0.45 0.00 0.00 0.00 0.00 46.02 46.00 1x9l n GLY 113 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1x9l n LEU 114 N -2.71 3.68 -0.00 0.99 -0.00 -0.25 0.01 117.00 118.72 1x9l n LEU 114 Ca -0.05 0.79 -0.00 0.00 -0.00 0.00 0.00 56.01 56.75 1x9l n LEU 114 Cb 0.58 -1.47 -0.00 0.00 -0.00 0.00 0.00 43.42 42.54 1x9l n LEU 114 CO 0.45 -0.07 -0.00 0.07 -0.00 0.00 0.00 177.39 177.83 1x9l h LYS 115 N 10.96 0.00 -7.22 1.96 -0.00 -1.34 -3.47 116.57 117.46 1x9l h LYS 115 Ca -0.47 0.00 -0.52 0.00 -0.00 0.00 0.00 60.65 59.66 1x9l h LYS 115 Cb 1.26 0.00 0.14 0.00 -0.00 0.00 0.00 32.23 33.62 1x9l h LYS 115 CO 0.95 0.00 0.35 1.03 -0.00 0.00 0.00 179.45 181.78 1x9l s ARG 116 N -1.01 2.28 0.58 0.07 0.52 -1.26 -5.01 118.95 115.12 1x9l s ARG 116 Ca -0.00 1.50 -0.20 0.00 -0.52 0.00 0.00 55.73 56.51 1x9l s ARG 116 Cb 0.00 -1.88 -0.04 0.00 0.52 0.00 0.00 34.95 33.56 1x9l s ARG 116 CO 0.00 -1.67 1.26 -1.25 0.02 0.00 0.00 175.30 173.66 1x9l s PRO 117 N -4.22 3.02 -0.02 3.54 0.04 -1.26 -5.06 135.00 131.05 1x9l s PRO 117 Ca 0.68 1.98 -0.08 0.00 0.04 0.00 0.00 61.00 63.63 1x9l s PRO 117 Cb -0.23 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.26 1x9l s PRO 117 CO 0.47 -1.20 0.16 -0.48 0.04 0.00 0.00 177.00 175.99 1x9l s LEU 118 N -3.86 1.43 0.03 -3.56 2.34 -1.26 -5.16 118.68 108.64 1x9l s LEU 118 Ca 0.75 -0.02 0.05 0.00 0.06 0.00 0.00 54.13 54.97 1x9l s LEU 118 Cb -0.34 0.71 -0.03 0.00 -0.56 0.00 0.00 46.19 45.96 1x9l s LEU 118 CO 0.38 -0.29 -0.09 -0.54 -1.06 0.00 0.00 176.35 174.76 1x9l s LYS 119 N -0.96 2.41 -0.54 1.48 3.01 -1.26 -4.89 119.74 118.99 1x9l s LYS 119 Ca -0.10 -0.82 -0.26 0.00 -1.01 0.00 0.00 55.97 53.78 1x9l s LYS 119 Cb -0.06 -2.42 -0.05 0.00 -1.01 0.00 0.00 37.83 34.29 1x9l s LYS 119 CO 0.01 0.57 2.20 0.54 0.51 0.00 0.00 175.35 179.19 1x9l s VAL 120 N -1.04 3.14 0.00 3.17 0.11 -1.26 -0.91 120.40 123.61 1x9l s VAL 120 Ca 0.18 0.08 0.00 0.00 -2.93 0.00 0.00 61.98 59.30 1x9l s VAL 120 Cb -0.11 -3.37 0.00 0.00 -1.53 0.00 0.00 36.38 31.37 1x9l s VAL 120 CO 0.09 -0.36 0.00 0.61 -3.33 0.00 0.00 175.10 172.11 1x9l n GLY 121 N 5.90 0.44 1.58 6.54 0.00 0.11 -4.96 105.19 114.81 1x9l n GLY 121 Ca 0.31 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.20 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 -1.14 -3.69 1.61 4.07 -0.09 -4.82 120.64 116.58 1x9l n GLU 122 Ca 0.00 -0.82 -0.11 0.00 -0.06 0.00 0.00 57.16 56.17 1x9l n GLU 122 Cb 0.00 -0.63 -0.10 0.00 -0.06 0.00 0.00 31.44 30.65 1x9l n GLU 122 CO 0.00 0.00 0.00 0.99 -0.06 0.00 0.00 177.13 178.06 1x9l s THR 123 N -2.07 -0.01 0.01 6.31 2.01 -1.26 -0.88 115.64 119.75 1x9l s THR 123 Ca 0.31 0.04 0.02 0.00 0.31 0.00 0.00 61.69 62.37 1x9l s THR 123 Cb -0.02 -0.70 -0.01 0.00 0.01 0.00 0.00 72.50 71.78 1x9l s THR 123 CO 0.23 0.02 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.43 1x9l s VAL 124 N 0.96 0.44 -0.22 3.82 1.01 0.26 -4.92 120.40 121.75 1x9l s VAL 124 Ca -0.06 -0.52 -0.29 0.00 0.00 0.00 0.00 61.98 61.11 1x9l s VAL 124 Cb -0.06 -0.43 0.00 0.00 0.00 0.00 0.00 36.38 35.90 1x9l s VAL 124 CO -0.08 -0.06 1.13 0.20 0.00 0.00 0.00 175.10 176.29 1x9l s ASN 125 N -0.63 7.01 0.58 3.32 0.01 -1.26 -0.35 114.94 123.61 1x9l s ASN 125 Ca -0.02 1.45 -0.10 0.00 -0.71 0.00 0.00 52.86 53.48 1x9l s ASN 125 Cb -0.05 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.03 1x9l s ASN 125 CO 0.00 -0.74 0.96 -0.51 -1.51 0.00 0.00 177.10 175.30 1x9l s ILE 126 N 3.40 4.76 -0.17 0.60 2.07 0.56 -4.45 121.20 127.97 1x9l s ILE 126 Ca 0.48 0.71 -0.00 0.00 -1.41 0.00 0.00 60.65 60.43 1x9l s ILE 126 Cb -0.17 -3.86 0.04 0.00 0.13 0.00 0.00 42.46 38.60 1x9l s ILE 126 CO 0.11 -1.05 -0.05 -0.89 -1.91 0.00 0.00 174.94 171.14 1x9l s THR 127 N -3.04 1.17 -0.04 4.00 2.01 0.12 -2.35 115.64 117.51 1x9l s THR 127 Ca 0.53 -0.70 -0.18 0.00 0.31 0.00 0.00 61.69 61.65 1x9l s THR 127 Cb -0.11 -1.35 -0.05 0.00 0.01 0.00 0.00 72.50 71.00 1x9l s THR 127 CO 0.51 0.11 0.51 -0.22 -0.69 0.00 0.00 174.62 174.83 1x9l s LEU 128 N 1.60 4.38 -0.56 4.42 1.98 0.48 -0.79 118.68 130.19 1x9l s LEU 128 Ca 0.00 0.99 0.06 0.00 -2.89 0.00 0.00 54.13 52.29 1x9l s LEU 128 Cb -0.16 -2.76 0.24 0.00 0.66 0.00 0.00 46.19 44.17 1x9l s LEU 128 CO -0.08 0.12 0.64 2.29 -1.89 0.00 0.00 176.35 177.43 1x9l n LYS 129 N 2.87 1.83 -2.62 1.98 2.85 -1.26 -0.66 118.16 123.16 1x9l n LYS 129 Ca -0.09 -4.17 -0.40 0.00 -1.05 0.00 0.00 58.31 52.60 1x9l n LYS 129 Cb 0.51 -1.93 -0.05 0.00 -0.65 0.00 0.00 35.03 32.91 1x9l n LYS 129 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1x9l s ALA 130 N -1.90 3.36 0.41 0.58 0.00 -1.23 -3.95 121.76 119.03 1x9l s ALA 130 Ca 0.37 0.74 0.10 0.00 0.00 0.00 0.00 51.96 53.17 1x9l s ALA 130 Cb 0.13 -3.28 0.93 0.00 0.00 0.00 0.00 23.12 20.90 1x9l s ALA 130 CO -0.06 -0.02 1.99 0.00 0.00 0.00 0.00 175.76 177.67 1x9l h THR 131 N 3.36 0.97 0.00 0.00 1.03 -1.84 0.22 112.91 116.64 1x9l h THR 131 Ca -0.45 -0.18 -0.04 0.00 -0.01 0.00 0.00 66.41 65.73 1x9l h THR 131 Cb 1.21 0.40 -0.01 0.00 -1.07 0.00 0.00 68.15 68.68 1x9l h THR 131 CO 0.69 0.10 -0.20 0.44 -0.01 0.00 0.00 175.52 176.54 1x9l h ASP 132 N 0.52 0.00 -0.78 0.00 5.19 -1.91 -3.39 116.42 116.05 1x9l h ASP 132 Ca 0.26 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.58 1x9l h ASP 132 Cb 0.34 0.00 -0.16 0.00 0.18 0.00 0.00 39.33 39.69 1x9l h ASP 132 CO -0.07 0.20 -0.39 -0.83 -3.12 0.00 0.00 179.24 175.03 1x9l s GLY 133 N -4.22 -1.43 -0.63 2.75 0.00 0.65 -5.06 107.32 99.38 1x9l s GLY 133 Ca -0.03 -0.04 -0.07 0.00 0.00 0.00 0.00 44.72 44.58 1x9l s GLY 133 CO 0.65 3.84 3.32 0.54 0.00 0.00 0.00 173.10 181.46 1x9l n ARG 134 N 3.07 2.69 -2.97 2.90 1.74 -0.47 -3.54 116.66 120.09 1x9l n ARG 134 Ca 0.15 -1.55 -0.04 0.00 -0.77 0.00 0.00 57.85 55.64 1x9l n ARG 134 Cb 0.58 -2.30 -0.00 0.00 -1.02 0.00 0.00 32.46 29.72 1x9l n ARG 134 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1x9l s THR 135 N 1.19 -0.92 0.05 0.55 2.01 -1.22 -4.69 115.64 112.60 1x9l s THR 135 Ca 0.67 -0.72 -0.02 0.00 0.31 0.00 0.00 61.69 61.93 1x9l s THR 135 Cb 0.27 -0.08 -0.03 0.00 0.01 0.00 0.00 72.50 72.68 1x9l s THR 135 CO -0.03 -0.07 0.01 -0.22 -0.69 0.00 0.00 174.62 173.62 1x9l s LEU 136 N 1.20 2.22 -0.11 4.42 1.98 0.17 -5.00 118.68 123.55 1x9l s LEU 136 Ca 0.25 -0.79 -0.12 0.00 -2.89 0.00 0.00 54.13 50.58 1x9l s LEU 136 Cb -0.02 0.34 0.03 0.00 0.66 0.00 0.00 46.19 47.20 1x9l s LEU 136 CO -0.06 -0.54 0.32 0.20 -1.89 0.00 0.00 176.35 174.38 1x9l s ASN 137 N -2.51 -0.32 -0.03 3.68 -0.87 -1.26 -0.39 114.94 113.23 1x9l s ASN 137 Ca 0.01 0.60 -0.12 0.00 -1.57 0.00 0.00 52.86 51.78 1x9l s ASN 137 Cb 0.03 0.63 0.02 0.00 -0.02 0.00 0.00 41.25 41.91 1x9l s ASN 137 CO -0.08 -0.14 0.27 -0.69 -2.57 0.00 0.00 177.10 173.89 1x9l s VAL 138 N 0.04 0.05 -0.52 1.60 1.01 -0.99 -4.97 120.40 116.62 1x9l s VAL 138 Ca -0.01 -0.41 -0.26 0.00 0.00 0.00 0.00 61.98 61.30 1x9l s VAL 138 Cb -0.03 -0.53 0.03 0.00 0.00 0.00 0.00 36.38 35.86 1x9l s VAL 138 CO 0.01 -0.22 1.01 0.00 0.00 0.00 0.00 175.10 175.90 1x9l s ALA 139 N -0.99 3.15 0.10 5.51 0.00 -1.26 -0.33 121.76 127.94 1x9l s ALA 139 Ca -0.11 -0.92 -0.22 0.00 0.00 0.00 0.00 51.96 50.71 1x9l s ALA 139 Cb -0.05 -3.79 -0.07 0.00 0.00 0.00 0.00 23.12 19.22 1x9l s ALA 139 CO 0.03 -2.32 0.68 0.00 0.00 0.00 0.00 175.76 174.14 1x9l s ALA 140 N 4.16 3.50 0.39 0.00 0.00 0.53 -4.73 121.76 125.61 1x9l s ALA 140 Ca 0.37 0.19 -0.18 0.00 0.00 0.00 0.00 51.96 52.34 1x9l s ALA 140 Cb -0.10 -2.82 -0.10 0.00 0.00 0.00 0.00 23.12 20.10 1x9l s ALA 140 CO 0.24 0.29 0.87 0.99 0.00 0.00 0.00 175.76 178.15 1x9l s THR 141 N -0.89 4.51 -0.34 0.00 2.01 0.65 -0.57 115.64 121.01 1x9l s THR 141 Ca 0.33 1.26 -0.12 0.00 0.31 0.00 0.00 61.69 63.48 1x9l s THR 141 Cb -0.21 -3.61 -0.00 0.00 0.01 0.00 0.00 72.50 68.69 1x9l s THR 141 CO 0.22 -0.29 0.21 -0.69 -0.69 0.00 0.00 174.62 173.38 1x9l s VAL 142 N -2.13 4.90 -0.19 3.82 1.01 -0.06 -0.48 120.40 127.28 1x9l s VAL 142 Ca 0.59 -0.46 -0.25 0.00 0.00 0.00 0.00 61.98 61.85 1x9l s VAL 142 Cb -0.09 -3.57 0.07 0.00 0.00 0.00 0.00 36.38 32.78 1x9l s VAL 142 CO 0.16 -0.06 0.66 -0.75 0.00 0.00 0.00 175.10 175.11 1x9l s LYS 143 N 1.65 0.86 0.00 2.72 2.20 0.12 0.04 119.74 127.32 1x9l s LYS 143 Ca 0.05 0.70 0.00 0.00 -0.36 0.00 0.00 55.97 56.36 1x9l s LYS 143 Cb -0.18 0.41 0.00 0.00 -1.51 0.00 0.00 37.83 36.56 1x9l s LYS 143 CO 0.08 -0.16 0.06 1.63 -0.36 0.00 0.00 175.35 176.60 1x9l n LYS 144 N 2.15 0.00 -0.44 4.03 5.02 -1.26 -3.27 118.16 124.38 1x9l n LYS 144 Ca -0.16 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.13 1x9l n LYS 144 Cb 0.56 -0.40 0.00 0.00 -0.02 0.00 0.00 35.03 35.17 1x9l n LYS 144 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1x9l n ASN 145 N -0.11 -2.51 -3.85 4.39 2.85 -1.26 -4.71 115.26 110.06 1x9l n ASN 145 Ca 0.00 0.49 -0.23 0.00 -0.11 0.00 0.00 54.58 54.73 1x9l n ASN 145 Cb 0.00 -0.69 -0.07 0.00 1.24 0.00 0.00 39.78 40.26 1x9l n ASN 145 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 1x9l n ILE 146 N -1.65 -0.77 -2.70 -1.44 -5.35 -1.26 -4.84 119.36 101.34 1x9l n ILE 146 Ca 0.00 -0.37 -0.05 0.00 -0.27 0.00 0.00 62.75 62.06 1x9l n ILE 146 Cb 0.11 -0.76 0.05 0.00 -1.74 0.00 0.00 39.64 37.30 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 -3.66 0.35 -0.00 6.28 2.13 -1.26 -4.96 120.64 119.52 1x9l n GLU 147 Ca -0.24 -1.18 0.00 0.00 0.66 0.00 0.00 57.16 56.40 1x9l n GLU 147 Cb 0.51 -0.66 0.00 0.00 0.27 0.00 0.00 31.44 31.57 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 2.00 1.54 0.00 8.31 0.00 -1.26 -5.01 105.19 110.77 1x9l n GLY 148 Ca 0.08 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1x9l n GLY 148 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19