#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oni n SER 3 N 0.00 2.06 -4.39 6.43 7.64 -1.26 -5.03 113.62 119.07 1oni n SER 3 Ca 0.00 1.17 -0.31 0.00 1.01 0.00 0.00 58.87 60.73 1oni n SER 3 Cb 0.00 -1.40 -0.14 0.00 -1.01 0.00 0.00 64.21 61.65 1oni n SER 3 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1oni s LEU 4 N -0.53 2.38 -0.11 -3.43 1.43 -1.26 -5.11 118.68 112.05 1oni s LEU 4 Ca 0.58 -0.42 -0.22 0.00 -1.03 0.00 0.00 54.13 53.04 1oni s LEU 4 Cb -0.60 -1.42 -0.03 0.00 0.03 0.00 0.00 46.19 44.16 1oni s LEU 4 CO 0.60 0.30 0.66 -0.63 0.23 0.00 0.00 176.35 177.51 1oni s ILE 5 N -0.76 5.05 -0.13 -0.59 1.01 -1.26 -4.96 121.20 119.57 1oni s ILE 5 Ca 0.12 1.32 -0.03 0.00 0.00 0.00 0.00 60.65 62.05 1oni s ILE 5 Cb -0.10 -3.99 -0.03 0.00 0.01 0.00 0.00 42.46 38.35 1oni s ILE 5 CO 0.02 0.22 -0.01 -0.60 0.00 0.00 0.00 174.94 174.56 1oni s ARG 6 N 1.12 3.43 -0.01 2.79 3.52 -1.26 -3.15 118.95 125.39 1oni s ARG 6 Ca 0.34 -0.45 0.06 0.00 -0.13 0.00 0.00 55.73 55.54 1oni s ARG 6 Cb -0.17 -2.91 -0.02 0.00 -1.56 0.00 0.00 34.95 30.30 1oni s ARG 6 CO 0.15 0.44 -0.19 1.03 -0.81 0.00 0.00 175.30 175.92 1oni s ARG 7 N -0.14 1.48 -0.16 5.12 0.52 0.50 -4.99 118.95 121.27 1oni s ARG 7 Ca 0.04 -0.68 -0.05 0.00 -0.52 0.00 0.00 55.73 54.52 1oni s ARG 7 Cb -0.13 -1.44 -0.03 0.00 0.52 0.00 0.00 34.95 33.87 1oni s ARG 7 CO 0.02 0.39 0.01 0.08 0.02 0.00 0.00 175.30 175.83 1oni s VAL 8 N -0.47 4.36 -0.11 3.52 1.01 -1.26 -1.01 120.40 126.43 1oni s VAL 8 Ca 0.07 -0.20 -0.20 0.00 0.00 0.00 0.00 61.98 61.66 1oni s VAL 8 Cb -0.07 -2.92 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 1oni s VAL 8 CO -0.00 0.50 0.54 -0.63 0.00 0.00 0.00 175.10 175.50 1oni s ILE 9 N 0.18 5.14 -0.29 2.22 -1.09 -0.33 -5.02 121.20 122.02 1oni s ILE 9 Ca 0.01 1.09 -0.01 0.00 -2.23 0.00 0.00 60.65 59.51 1oni s ILE 9 Cb -0.13 -3.88 0.13 0.00 -1.58 0.00 0.00 42.46 37.00 1oni s ILE 9 CO 0.02 0.29 0.29 -0.55 -1.23 0.00 0.00 174.94 173.76 1oni s SER 10 N 0.71 1.67 -0.02 3.58 0.15 -1.26 -3.53 113.70 115.00 1oni s SER 10 Ca 0.29 -0.73 0.08 0.00 0.70 0.00 0.00 55.95 56.29 1oni s SER 10 Cb -0.16 0.50 -0.02 0.00 -1.71 0.00 0.00 66.02 64.63 1oni s SER 10 CO 0.12 -0.39 -0.24 0.28 1.20 0.00 0.00 173.24 174.21 1oni s THR 11 N 2.36 1.92 -0.27 6.45 -1.32 -1.26 -5.01 115.64 118.50 1oni s THR 11 Ca 0.09 -1.04 0.27 0.00 -1.21 0.00 0.00 61.69 59.80 1oni s THR 11 Cb -0.14 -1.59 0.29 0.00 -1.51 0.00 0.00 72.50 69.55 1oni s THR 11 CO -0.32 0.54 1.80 0.00 -2.21 0.00 0.00 174.62 174.43 1oni h ALA 12 N 5.52 1.00 0.00 11.08 0.00 -1.99 -3.09 119.26 131.78 1oni h ALA 12 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.49 1oni h ALA 12 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1oni h ALA 12 CO 0.47 0.00 0.00 1.63 0.00 0.00 0.00 179.25 181.35 1oni n LYS 13 N -2.49 0.37 -4.38 0.00 5.02 -1.26 -4.70 118.16 110.72 1oni n LYS 13 Ca 0.01 0.02 -0.21 0.00 -2.02 0.00 0.00 58.31 56.12 1oni n LYS 13 Cb 0.23 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.64 1oni n LYS 13 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1oni s ALA 14 N -2.59 2.23 0.25 7.82 0.00 -1.17 -4.84 121.76 123.47 1oni s ALA 14 Ca 0.25 -1.68 -0.31 0.00 0.00 0.00 0.00 51.96 50.22 1oni s ALA 14 Cb 0.19 -0.17 -0.12 0.00 0.00 0.00 0.00 23.12 23.01 1oni s ALA 14 CO 0.43 0.18 1.57 -2.30 0.00 0.00 0.00 175.76 175.63 1oni n PRO 15 N -0.26 2.47 -2.21 0.00 -0.02 -1.26 -4.83 135.00 128.89 1oni n PRO 15 Ca -0.09 0.88 -0.37 0.00 -2.02 0.00 0.00 63.50 61.90 1oni n PRO 15 Cb 0.59 -2.64 -0.00 0.00 -0.02 0.00 0.00 33.50 31.43 1oni n PRO 15 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1oni s GLY 16 N 0.61 2.79 0.40 -1.23 0.00 -1.26 -4.99 107.32 103.63 1oni s GLY 16 Ca 0.69 0.98 -0.26 0.00 0.00 0.00 0.00 44.72 46.12 1oni s GLY 16 CO 0.45 1.44 1.30 0.00 0.00 0.00 0.00 173.10 176.29 1oni s ALA 17 N -1.51 3.29 -0.15 3.20 0.00 -1.26 -4.92 121.76 120.39 1oni s ALA 17 Ca 0.64 1.22 0.14 0.00 0.00 0.00 0.00 51.96 53.97 1oni s ALA 17 Cb -0.30 -3.48 0.37 0.00 0.00 0.00 0.00 23.12 19.71 1oni s ALA 17 CO 0.36 -0.78 1.18 0.44 0.00 0.00 0.00 175.76 176.96 1oni n ILE 18 N 0.21 1.76 -3.32 0.00 -5.35 -1.26 -5.04 119.36 106.36 1oni n ILE 18 Ca 0.03 -2.57 -0.03 0.00 -0.27 0.00 0.00 62.75 59.91 1oni n ILE 18 Cb 0.43 -0.06 0.01 0.00 -1.74 0.00 0.00 39.64 38.28 1oni n ILE 18 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1oni n GLY 19 N -0.96 1.73 2.37 3.28 0.00 -1.26 -5.06 105.19 105.29 1oni n GLY 19 Ca 0.16 -1.13 -0.39 0.00 0.00 0.00 0.00 46.02 44.65 1oni n GLY 19 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1oni n PRO 20 N -0.19 3.77 -3.89 1.61 -0.04 -1.26 -4.81 135.00 130.18 1oni n PRO 20 Ca -0.03 -2.43 -0.09 0.00 -0.04 0.00 0.00 63.50 60.91 1oni n PRO 20 Cb 0.21 -2.81 -0.09 0.00 -0.04 0.00 0.00 33.50 30.77 1oni n PRO 20 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1oni s TYR 21 N 1.76 0.16 0.15 0.54 -0.85 -1.26 -5.17 117.35 112.67 1oni s TYR 21 Ca 0.66 -0.47 0.05 0.00 -0.52 0.00 0.00 57.07 56.78 1oni s TYR 21 Cb 0.18 -0.10 -0.04 0.00 0.38 0.00 0.00 41.96 42.38 1oni s TYR 21 CO -0.07 -0.43 0.10 -1.12 -1.52 0.00 0.00 175.55 172.52 1oni s SER 22 N -2.31 5.40 0.19 -0.18 0.01 -1.26 -4.82 113.70 110.73 1oni s SER 22 Ca -0.02 -0.15 -0.12 0.00 1.31 0.00 0.00 55.95 56.98 1oni s SER 22 Cb 0.01 -1.38 0.17 0.00 0.21 0.00 0.00 66.02 65.03 1oni s SER 22 CO -0.06 0.09 1.79 1.56 0.41 0.00 0.00 173.24 177.04 1oni h GLN 23 N 2.64 0.56 -3.07 12.44 4.20 -1.94 -3.41 115.11 126.53 1oni h GLN 23 Ca -0.47 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.17 1oni h GLN 23 Cb 1.19 -0.13 -0.12 0.00 0.30 0.00 0.00 27.48 28.72 1oni h GLN 23 CO 0.63 0.37 0.14 0.00 -0.67 0.00 0.00 178.83 179.30 1oni s ALA 24 N -6.12 -1.45 -0.07 3.87 0.00 -1.25 -1.30 121.76 115.45 1oni s ALA 24 Ca -0.13 0.38 0.01 0.00 0.00 0.00 0.00 51.96 52.22 1oni s ALA 24 Cb 0.15 0.83 0.02 0.00 0.00 0.00 0.00 23.12 24.11 1oni s ALA 24 CO 0.74 -0.73 -0.07 0.08 0.00 0.00 0.00 175.76 175.78 1oni s VAL 25 N -3.71 0.83 -0.16 0.00 1.01 -0.36 -1.19 120.40 116.82 1oni s VAL 25 Ca 0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 1oni s VAL 25 Cb -0.00 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.51 1oni s VAL 25 CO -0.12 0.31 -0.03 -0.22 0.00 0.00 0.00 175.10 175.04 1oni s LEU 26 N 1.23 3.31 -0.04 3.92 2.96 -0.18 -0.61 118.68 129.27 1oni s LEU 26 Ca -0.05 -0.11 -0.01 0.00 -0.22 0.00 0.00 54.13 53.75 1oni s LEU 26 Cb -0.14 -1.80 0.03 0.00 0.50 0.00 0.00 46.19 44.78 1oni s LEU 26 CO -0.02 0.17 0.02 -0.69 -1.32 0.00 0.00 176.35 174.51 1oni s VAL 27 N 0.36 0.12 -1.43 1.68 1.01 -0.43 -0.37 120.40 121.34 1oni s VAL 27 Ca -0.03 0.20 -0.01 0.00 0.00 0.00 0.00 61.98 62.14 1oni s VAL 27 Cb -0.14 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 35.97 1oni s VAL 27 CO 0.03 0.17 0.37 -0.67 0.00 0.00 0.00 175.10 175.00 1oni n ASP 28 N 4.68 -0.20 0.00 3.32 2.03 -1.19 -1.55 116.55 123.63 1oni n ASP 28 Ca -0.16 -1.04 0.00 0.00 0.52 0.00 0.00 54.79 54.11 1oni n ASP 28 Cb 0.50 -2.85 0.00 0.00 -0.72 0.00 0.00 41.12 38.05 1oni n ASP 28 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 1oni n ARG 29 N -4.43 0.00 -3.66 -0.67 5.12 -1.26 -5.00 116.66 106.77 1oni n ARG 29 Ca -0.30 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.26 1oni n ARG 29 Cb 0.68 -1.41 -0.08 0.00 -1.16 0.00 0.00 32.46 30.50 1oni n ARG 29 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1oni s THR 30 N -2.47 5.37 -0.21 0.55 2.01 -0.60 0.12 115.64 120.42 1oni s THR 30 Ca 0.00 0.30 -0.04 0.00 0.31 0.00 0.00 61.69 62.26 1oni s THR 30 Cb 0.00 -3.53 -0.01 0.00 0.01 0.00 0.00 72.50 68.97 1oni s THR 30 CO 0.00 0.41 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.66 1oni s ILE 31 N 0.51 3.40 -0.30 1.82 1.01 0.59 -1.31 121.20 126.93 1oni s ILE 31 Ca 0.11 -0.49 -0.13 0.00 0.00 0.00 0.00 60.65 60.13 1oni s ILE 31 Cb -0.12 -2.54 -0.03 0.00 0.01 0.00 0.00 42.46 39.78 1oni s ILE 31 CO 0.01 0.43 0.28 -0.31 0.00 0.00 0.00 174.94 175.35 1oni s TYR 32 N 1.31 3.23 -0.16 3.97 2.02 0.22 -1.29 117.35 126.64 1oni s TYR 32 Ca 0.04 0.12 -0.05 0.00 -0.37 0.00 0.00 57.07 56.81 1oni s TYR 32 Cb -0.14 -2.50 -0.03 0.00 -0.40 0.00 0.00 41.96 38.88 1oni s TYR 32 CO -0.02 -0.26 -0.01 0.42 -1.57 0.00 0.00 175.55 174.12 1oni s ILE 33 N 1.89 4.18 0.78 2.71 1.01 -0.34 -1.23 121.20 130.20 1oni s ILE 33 Ca 0.10 -0.25 -0.14 0.00 0.00 0.00 0.00 60.65 60.35 1oni s ILE 33 Cb -0.16 -2.85 0.06 0.00 0.01 0.00 0.00 42.46 39.51 1oni s ILE 33 CO 0.11 0.48 1.13 -1.20 0.00 0.00 0.00 174.94 175.46 1oni n SER 34 N 3.53 0.86 -4.72 3.58 7.64 -0.42 -3.08 113.62 121.02 1oni n SER 34 Ca -0.17 0.61 -0.42 0.00 1.01 0.00 0.00 58.87 59.90 1oni n SER 34 Cb 0.52 -1.48 -0.03 0.00 -1.01 0.00 0.00 64.21 62.22 1oni n SER 34 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1oni s GLY 35 N -1.95 1.47 -0.08 0.23 0.00 -1.26 -4.61 107.32 101.12 1oni s GLY 35 Ca 0.73 1.42 -0.04 0.00 0.00 0.00 0.00 44.72 46.84 1oni s GLY 35 CO 0.51 2.71 0.07 1.20 0.00 0.00 0.00 173.10 177.58 1oni s GLN 36 N 1.22 3.18 0.43 2.90 -1.52 -0.01 -4.85 119.66 121.02 1oni s GLN 36 Ca 0.71 -0.32 0.06 0.00 -1.95 0.00 0.00 55.36 53.87 1oni s GLN 36 Cb -0.45 -2.96 -0.06 0.00 -0.22 0.00 0.00 33.01 29.32 1oni s GLN 36 CO 0.31 0.72 0.04 0.96 -0.25 0.00 0.00 175.29 177.07 1oni s ILE 37 N -1.01 1.85 0.00 1.08 -4.36 -1.26 -1.13 121.20 116.38 1oni s ILE 37 Ca 0.16 -1.95 -0.05 0.00 -0.26 0.00 0.00 60.65 58.55 1oni s ILE 37 Cb -0.12 -2.81 -0.22 0.00 1.25 0.00 0.00 42.46 40.56 1oni s ILE 37 CO 0.05 0.00 3.23 0.61 0.24 0.00 0.00 174.94 179.07 1oni n GLY 38 N -1.08 2.79 3.77 6.27 0.00 -1.25 -4.08 105.19 111.61 1oni n GLY 38 Ca -0.07 -1.00 -0.39 0.00 0.00 0.00 0.00 46.02 44.55 1oni n GLY 38 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1oni s MET 39 N 1.06 4.40 0.05 1.61 -1.94 -1.26 -1.49 119.30 121.73 1oni s MET 39 Ca 0.55 0.92 -0.31 0.00 -1.71 0.00 0.00 55.69 55.15 1oni s MET 39 Cb 0.26 -3.31 -0.06 0.00 2.01 0.00 0.00 34.83 33.73 1oni s MET 39 CO 0.00 0.44 1.27 0.34 -0.01 0.00 0.00 175.02 177.05 1oni s ASP 40 N -0.51 6.99 0.52 3.03 2.15 -0.06 -4.76 116.67 124.02 1oni s ASP 40 Ca 0.34 2.07 0.26 0.00 0.43 0.00 0.00 52.55 55.65 1oni s ASP 40 Cb -0.20 -2.58 1.41 0.00 -0.30 0.00 0.00 42.92 41.26 1oni s ASP 40 CO 0.21 -0.56 2.08 -0.65 -0.17 0.00 0.00 175.17 176.08 1oni h PRO 41 N 7.02 0.00 0.00 4.34 0.11 -1.89 0.11 132.00 141.69 1oni h PRO 41 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1oni h PRO 41 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1oni h PRO 41 CO 0.84 0.12 -0.70 0.77 -0.21 0.00 0.00 178.00 178.82 1oni h SER 42 N 0.00 0.00 0.00 -2.05 0.02 -1.92 -3.36 113.55 106.25 1oni h SER 42 Ca -0.00 -0.12 -0.03 0.00 -0.84 0.00 0.00 61.79 60.80 1oni h SER 42 Cb 0.30 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.84 1oni h SER 42 CO 0.02 0.06 -1.49 -1.54 -1.14 0.00 0.00 176.83 172.74 1oni n SER 43 N -2.38 2.69 -0.73 3.07 3.41 -1.13 -4.98 113.62 113.57 1oni n SER 43 Ca 0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.54 1oni n SER 43 Cb 0.48 1.34 -0.04 0.00 -0.26 0.00 0.00 64.21 65.73 1oni n SER 43 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1oni n GLY 44 N 2.01 1.02 3.65 5.00 0.00 0.38 -5.00 105.19 112.25 1oni n GLY 44 Ca -0.04 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 1oni n GLY 44 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1oni s GLN 45 N -2.61 2.37 0.31 1.61 -0.21 -1.25 -4.84 119.66 115.04 1oni s GLN 45 Ca 0.00 -1.04 -0.29 0.00 0.02 0.00 0.00 55.36 54.05 1oni s GLN 45 Cb 0.00 -2.38 -0.10 0.00 1.00 0.00 0.00 33.01 31.53 1oni s GLN 45 CO 0.00 0.48 1.42 -0.51 -2.12 0.00 0.00 175.29 174.56 1oni s LEU 46 N -2.67 4.38 0.60 2.90 1.43 -1.26 -0.88 118.68 123.18 1oni s LEU 46 Ca 0.26 2.78 -0.18 0.00 -1.03 0.00 0.00 54.13 55.95 1oni s LEU 46 Cb -0.10 -3.64 -0.03 0.00 0.03 0.00 0.00 46.19 42.45 1oni s LEU 46 CO 0.17 -0.70 1.20 0.68 0.23 0.00 0.00 176.35 177.94 1oni s VAL 47 N -0.64 2.66 0.53 -1.59 -7.23 -0.55 -4.84 120.40 108.73 1oni s VAL 47 Ca 0.55 0.40 -0.06 0.00 -1.81 0.00 0.00 61.98 61.06 1oni s VAL 47 Cb -0.43 -3.13 -0.03 0.00 0.56 0.00 0.00 36.38 33.36 1oni s VAL 47 CO 0.51 -0.10 0.85 -0.44 -0.31 0.00 0.00 175.10 175.61 1oni s SER 48 N -1.68 6.09 0.00 4.85 0.01 -1.26 -4.59 113.70 117.12 1oni s SER 48 Ca 0.76 0.94 0.00 0.00 1.31 0.00 0.00 55.95 58.97 1oni s SER 48 Cb -0.29 -2.14 0.00 0.00 0.21 0.00 0.00 66.02 63.79 1oni s SER 48 CO 0.34 -0.74 0.00 0.61 0.41 0.00 0.00 173.24 173.86 1oni n GLY 49 N -2.41 0.95 6.35 3.44 0.00 -1.26 -4.78 105.19 107.49 1oni n GLY 49 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1oni n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oni n GLY 50 N -0.65 -1.42 0.33 -0.02 0.00 -1.26 -4.46 105.19 97.72 1oni n GLY 50 Ca 0.00 -1.35 -0.04 0.00 0.00 0.00 0.00 46.02 44.63 1oni n GLY 50 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1oni h VAL 51 N 0.00 1.24 0.47 1.61 3.04 -1.96 -1.04 116.25 119.60 1oni h VAL 51 Ca 0.00 -0.75 -0.02 0.00 -1.01 0.00 0.00 66.70 64.92 1oni h VAL 51 Cb 0.00 0.39 -0.00 0.00 -2.01 0.00 0.00 31.29 29.67 1oni h VAL 51 CO 0.00 0.30 -0.26 0.00 -1.01 0.00 0.00 177.57 176.61 1oni h ALA 52 N 1.29 -0.68 -0.66 3.17 0.00 -1.95 0.14 119.26 120.58 1oni h ALA 52 Ca 0.24 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1oni h ALA 52 Cb 0.19 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1oni h ALA 52 CO -0.02 -0.89 0.20 0.93 0.00 0.00 0.00 179.25 179.47 1oni h GLU 53 N -0.68 1.00 -0.45 0.00 4.39 -1.73 -2.62 114.58 114.49 1oni h GLU 53 Ca -0.06 -0.20 -0.11 0.00 0.34 0.00 0.00 59.36 59.33 1oni h GLU 53 Cb 0.54 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1oni h GLU 53 CO 0.08 0.86 -0.16 0.93 -1.16 0.00 0.00 179.01 179.57 1oni h GLU 54 N 0.97 0.90 -0.57 2.33 5.08 -1.06 -2.34 114.58 119.90 1oni h GLU 54 Ca 0.21 -0.37 -0.05 0.00 -1.00 0.00 0.00 59.36 58.15 1oni h GLU 54 Cb 0.28 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 1oni h GLU 54 CO -0.01 1.02 0.15 0.00 -1.00 0.00 0.00 179.01 179.17 1oni h ALA 55 N 0.86 0.74 -0.36 3.43 0.00 -0.61 -0.01 119.26 123.32 1oni h ALA 55 Ca 0.11 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1oni h ALA 55 Cb 0.71 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 1oni h ALA 55 CO 0.05 0.44 0.18 -0.22 0.00 0.00 0.00 179.25 179.70 1oni h LYS 56 N 0.81 0.35 -0.44 0.00 3.64 -1.42 -0.45 116.57 119.06 1oni h LYS 56 Ca 0.18 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.44 1oni h LYS 56 Cb 0.33 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.06 1oni h LYS 56 CO 0.00 0.23 -0.10 0.37 -2.27 0.00 0.00 179.45 177.68 1oni h GLN 57 N 0.36 0.85 -0.78 1.90 5.75 -1.21 -0.61 115.11 121.38 1oni h GLN 57 Ca 0.15 -0.32 0.01 0.00 -0.15 0.00 0.00 58.65 58.34 1oni h GLN 57 Cb 0.06 -0.05 -0.04 0.00 1.07 0.00 0.00 27.48 28.52 1oni h GLN 57 CO -0.11 0.96 0.51 0.00 -2.65 0.00 0.00 178.83 177.54 1oni h ALA 58 N 0.87 0.99 -0.48 3.38 0.00 -0.82 0.39 119.26 123.58 1oni h ALA 58 Ca 0.11 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.85 1oni h ALA 58 Cb 0.64 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1oni h ALA 58 CO 0.04 0.38 -0.20 -0.07 0.00 0.00 0.00 179.25 179.41 1oni h LEU 59 N 1.04 1.00 -0.72 0.00 3.38 -0.90 -1.42 115.31 117.69 1oni h LEU 59 Ca 0.29 -0.37 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1oni h LEU 59 Cb -0.10 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.34 1oni h LEU 59 CO -0.07 1.16 0.47 0.11 0.09 0.00 0.00 178.44 180.20 1oni h LYS 60 N 0.85 0.92 -0.34 1.13 1.57 -0.70 -1.06 116.57 118.94 1oni h LYS 60 Ca 0.11 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1oni h LYS 60 Cb 0.77 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 1oni h LYS 60 CO 0.06 0.61 0.18 -0.91 -0.57 0.00 0.00 179.45 178.82 1oni h ASN 61 N 0.95 0.28 -0.71 0.86 2.35 -0.65 -1.67 115.58 116.99 1oni h ASN 61 Ca 0.27 0.01 0.03 0.00 -0.55 0.00 0.00 56.30 56.06 1oni h ASN 61 Cb -0.07 -0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.21 1oni h ASN 61 CO -0.07 0.21 0.45 -0.03 -1.65 0.00 0.00 177.43 176.33 1oni h MET 62 N 0.37 0.84 -0.84 0.81 4.05 -0.85 -2.33 114.93 116.98 1oni h MET 62 Ca 0.14 -0.05 0.01 0.00 -0.28 0.00 0.00 59.70 59.52 1oni h MET 62 Cb 0.03 -0.19 -0.04 0.00 -0.80 0.00 0.00 31.60 30.60 1oni h MET 62 CO -0.09 0.56 0.56 0.78 0.23 0.00 0.00 176.91 178.95 1oni h GLY 63 N 0.87 1.20 1.72 1.39 0.00 -0.79 0.05 103.07 107.50 1oni h GLY 63 Ca 0.29 -0.44 -0.09 0.00 0.00 0.00 0.00 47.33 47.09 1oni h GLY 63 CO -0.11 0.42 -0.29 0.83 0.00 0.00 0.00 176.54 177.39 1oni h GLU 64 N 1.13 0.33 -0.20 4.80 4.39 -0.88 0.14 114.58 124.29 1oni h GLU 64 Ca 0.31 -0.12 -0.07 0.00 0.34 0.00 0.00 59.36 59.82 1oni h GLU 64 Cb -0.11 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.52 1oni h GLU 64 CO -0.08 0.59 -0.16 0.82 -1.16 0.00 0.00 179.01 179.03 1oni h ILE 65 N 0.29 1.32 -0.44 3.13 2.04 -0.94 -1.80 117.51 121.11 1oni h ILE 65 Ca 0.04 -1.29 0.04 0.00 1.00 0.00 0.00 64.86 64.65 1oni h ILE 65 Cb 0.67 1.73 -0.04 0.00 -0.74 0.00 0.00 36.82 38.44 1oni h ILE 65 CO 0.05 0.39 0.22 -0.07 0.00 0.00 0.00 178.15 178.74 1oni h LEU 66 N 0.14 0.31 -1.07 1.44 3.38 -0.76 -2.40 115.31 116.34 1oni h LEU 66 Ca 0.04 0.03 0.04 0.00 0.09 0.00 0.00 57.88 58.07 1oni h LEU 66 Cb 0.68 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.35 1oni h LEU 66 CO 0.04 0.22 0.62 0.50 0.09 0.00 0.00 178.44 179.92 1oni h LYS 67 N 0.44 1.17 0.00 1.13 3.64 -0.51 0.20 116.57 122.64 1oni h LYS 67 Ca 0.19 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1oni h LYS 67 Cb 0.11 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 1oni h LYS 67 CO -0.14 0.77 -0.18 0.00 -2.27 0.00 0.00 179.45 177.63 1oni h ALA 68 N 1.44 1.57 -0.30 5.00 0.00 -0.87 0.38 119.26 126.48 1oni h ALA 68 Ca 0.38 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1oni h ALA 68 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1oni h ALA 68 CO -0.11 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.36 1oni n ALA 69 N -2.45 2.47 -1.90 0.00 0.00 -0.25 -4.92 120.51 113.46 1oni n ALA 69 Ca -0.02 -0.69 -0.08 0.00 0.00 0.00 0.00 53.44 52.65 1oni n ALA 69 Cb 0.26 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.68 1oni n ALA 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oni n GLY 70 N 1.22 0.30 2.59 0.00 0.00 0.12 -4.99 105.19 104.43 1oni n GLY 70 Ca 0.16 -0.59 -0.22 0.00 0.00 0.00 0.00 46.02 45.37 1oni n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oni n ASP 72 N -1.35 0.22 0.31 0.00 5.68 -1.26 -2.70 116.55 117.44 1oni n ASP 72 Ca -0.12 -1.81 0.18 0.00 -0.50 0.00 0.00 54.79 52.54 1oni n ASP 72 Cb 0.46 0.53 0.99 0.00 -1.14 0.00 0.00 41.12 41.97 1oni n ASP 72 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 1oni h PHE 73 N 1.34 0.00 0.00 2.11 -1.00 -1.93 -1.69 116.94 115.78 1oni h PHE 73 Ca -0.10 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.68 1oni h PHE 73 Cb 0.45 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.01 1oni h PHE 73 CO 0.00 0.02 0.00 1.79 -1.61 0.00 0.00 178.31 178.51 1oni h THR 74 N 0.00 0.00 0.00 -1.55 1.35 -1.96 -2.56 112.91 108.20 1oni h THR 74 Ca -0.00 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.56 1oni h THR 74 Cb 0.06 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1oni h THR 74 CO 0.00 0.00 -0.15 0.59 -0.25 0.00 0.00 175.52 175.71 1oni n ASN 75 N -2.79 0.47 -4.73 5.36 4.13 -0.63 -4.87 115.26 112.20 1oni n ASN 75 Ca 0.00 0.38 -0.42 0.00 1.68 0.00 0.00 54.58 56.23 1oni n ASN 75 Cb 0.22 -0.42 -0.03 0.00 -1.54 0.00 0.00 39.78 38.01 1oni n ASN 75 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 1oni s VAL 76 N -3.06 3.44 -0.12 2.41 1.01 -0.97 -1.27 120.40 121.85 1oni s VAL 76 Ca 0.11 1.11 0.07 0.00 0.00 0.00 0.00 61.98 63.27 1oni s VAL 76 Cb 0.16 -3.71 -0.10 0.00 0.00 0.00 0.00 36.38 32.73 1oni s VAL 76 CO 0.60 0.13 0.20 1.33 0.00 0.00 0.00 175.10 177.37 1oni n VAL 77 N 3.22 0.00 -3.70 2.92 0.24 -0.02 -4.38 118.33 116.60 1oni n VAL 77 Ca 0.08 -0.22 -0.11 0.00 -2.04 0.00 0.00 64.34 62.04 1oni n VAL 77 Cb 0.44 0.56 -0.10 0.00 -1.47 0.00 0.00 33.84 33.27 1oni n VAL 77 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1oni s LYS 78 N -2.20 0.48 0.19 7.34 2.47 -1.07 -1.21 119.74 125.73 1oni s LYS 78 Ca -0.01 0.75 0.08 0.00 -1.56 0.00 0.00 55.97 55.23 1oni s LYS 78 Cb 0.05 0.11 -0.04 0.00 -1.46 0.00 0.00 37.83 36.49 1oni s LYS 78 CO 0.29 -0.12 -0.15 0.95 0.16 0.00 0.00 175.35 176.48 1oni s THR 79 N 0.91 1.72 -0.08 3.43 -4.23 -0.24 -0.67 115.64 116.47 1oni s THR 79 Ca -0.05 -2.10 0.03 0.00 -1.18 0.00 0.00 61.69 58.39 1oni s THR 79 Cb -0.06 -1.95 0.00 0.00 1.34 0.00 0.00 72.50 71.84 1oni s THR 79 CO -0.07 -0.51 -0.19 -0.89 -0.54 0.00 0.00 174.62 172.42 1oni s THR 80 N -2.67 1.62 -0.25 3.99 2.01 -0.25 -2.09 115.64 118.01 1oni s THR 80 Ca 0.20 -0.77 -0.03 0.00 0.31 0.00 0.00 61.69 61.40 1oni s THR 80 Cb -0.02 -1.42 0.01 0.00 0.01 0.00 0.00 72.50 71.08 1oni s THR 80 CO 0.06 0.46 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.73 1oni s VAL 81 N 0.43 3.19 -0.24 3.82 1.01 0.43 -1.88 120.40 127.16 1oni s VAL 81 Ca -0.15 -0.80 -0.07 0.00 0.00 0.00 0.00 61.98 60.95 1oni s VAL 81 Cb -0.16 -2.57 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 1oni s VAL 81 CO 0.06 0.26 0.07 -0.76 0.00 0.00 0.00 175.10 174.72 1oni s LEU 82 N 1.40 3.49 0.15 3.92 1.43 0.61 -2.64 118.68 127.06 1oni s LEU 82 Ca 0.02 -0.16 0.08 0.00 -1.03 0.00 0.00 54.13 53.05 1oni s LEU 82 Cb -0.16 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 1oni s LEU 82 CO -0.03 0.00 -0.11 -0.76 0.23 0.00 0.00 176.35 175.69 1oni s LEU 83 N 1.39 2.96 0.40 1.79 1.43 -0.56 -1.00 118.68 125.10 1oni s LEU 83 Ca 0.05 -0.52 0.25 0.00 -1.03 0.00 0.00 54.13 52.88 1oni s LEU 83 Cb -0.15 -1.70 0.59 0.00 0.03 0.00 0.00 46.19 44.97 1oni s LEU 83 CO 0.04 0.13 1.70 0.00 0.23 0.00 0.00 176.35 178.44 1oni h ALA 84 N 3.20 1.00 -2.11 4.21 0.00 -1.43 -1.42 119.26 122.70 1oni h ALA 84 Ca -0.48 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 1oni h ALA 84 Cb 1.19 0.00 -0.26 0.00 0.00 0.00 0.00 17.79 18.72 1oni h ALA 84 CO 0.53 0.00 -0.33 0.34 0.00 0.00 0.00 179.25 179.78 1oni s ASP 85 N -5.71 -0.45 0.55 0.00 -1.08 -1.26 -4.84 116.67 103.88 1oni s ASP 85 Ca 0.07 0.93 0.25 0.00 -0.52 0.00 0.00 52.55 53.28 1oni s ASP 85 Cb 0.07 1.58 1.48 0.00 -1.46 0.00 0.00 42.92 44.59 1oni s ASP 85 CO 0.63 -0.25 2.07 -0.29 0.52 0.00 0.00 175.17 177.85 1oni h ILE 86 N 6.12 0.67 0.00 4.11 6.09 -1.93 -1.05 117.51 131.53 1oni h ILE 86 Ca -0.18 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.31 1oni h ILE 86 Cb 1.12 0.83 0.00 0.00 0.47 0.00 0.00 36.82 39.24 1oni h ILE 86 CO 0.16 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.83 1oni n ASN 87 N -4.16 0.00 -0.29 2.19 3.02 -1.26 -2.38 115.26 112.39 1oni n ASN 87 Ca 0.04 -0.19 0.12 0.00 -0.03 0.00 0.00 54.58 54.52 1oni n ASN 87 Cb 0.39 -0.22 0.56 0.00 -0.61 0.00 0.00 39.78 39.90 1oni n ASN 87 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1oni n ASP 88 N -1.22 0.88 -0.25 6.41 8.00 -0.40 -4.33 116.55 125.64 1oni n ASP 88 Ca 0.12 -1.45 -0.06 0.00 0.71 0.00 0.00 54.79 54.10 1oni n ASP 88 Cb 0.16 -0.03 0.05 0.00 -0.02 0.00 0.00 41.12 41.27 1oni n ASP 88 CO 0.00 0.00 0.00 0.15 -0.39 0.00 0.00 177.20 176.96 1oni h PHE 89 N 1.25 0.98 -0.39 1.24 3.04 -1.67 -1.75 116.94 119.64 1oni h PHE 89 Ca 0.00 -0.05 0.06 0.00 3.98 0.00 0.00 57.97 61.96 1oni h PHE 89 Cb 0.27 -0.30 -0.05 0.00 2.56 0.00 0.00 35.95 38.43 1oni h PHE 89 CO 0.03 0.73 0.09 -0.91 -2.02 0.00 0.00 178.31 176.24 1oni h ASN 90 N 0.94 0.04 -0.06 0.41 -0.26 -1.86 0.21 115.58 115.00 1oni h ASN 90 Ca 0.23 0.06 0.02 0.00 -0.56 0.00 0.00 56.30 56.05 1oni h ASN 90 Cb 0.12 0.07 -0.02 0.00 -1.06 0.00 0.00 38.32 37.44 1oni h ASN 90 CO -0.03 0.06 -0.03 0.74 -1.06 0.00 0.00 177.43 177.11 1oni h THR 91 N 0.23 0.90 -0.86 2.81 2.02 -1.79 -2.48 112.91 113.74 1oni h THR 91 Ca 0.18 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.35 1oni h THR 91 Cb 0.21 0.90 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 1oni h THR 91 CO -0.23 0.00 0.49 0.58 0.37 0.00 0.00 175.52 176.73 1oni h VAL 92 N -0.03 1.25 -0.59 3.16 2.07 -0.85 -2.79 116.25 118.48 1oni h VAL 92 Ca 0.04 -0.59 -0.04 0.00 0.82 0.00 0.00 66.70 66.92 1oni h VAL 92 Cb 0.08 0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 29.90 1oni h VAL 92 CO -0.08 0.27 0.21 0.78 0.02 0.00 0.00 177.57 178.77 1oni h ASN 93 N 1.20 0.83 -0.99 0.57 2.35 -0.44 0.69 115.58 119.79 1oni h ASN 93 Ca 0.31 -0.19 0.04 0.00 -0.55 0.00 0.00 56.30 55.90 1oni h ASN 93 Cb 0.00 -0.22 -0.06 0.00 0.05 0.00 0.00 38.32 38.10 1oni h ASN 93 CO -0.05 0.80 0.64 -0.08 -1.65 0.00 0.00 177.43 177.09 1oni h GLU 94 N 0.82 1.21 -0.20 0.81 4.57 -1.28 -1.54 114.58 118.97 1oni h GLU 94 Ca 0.19 -0.07 -0.16 0.00 -1.18 0.00 0.00 59.36 58.14 1oni h GLU 94 Cb 0.24 -0.27 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 1oni h GLU 94 CO -0.01 0.80 -0.51 0.82 -1.18 0.00 0.00 179.01 178.92 1oni h ILE 95 N 1.25 1.31 -0.81 2.32 2.04 -1.19 -3.21 117.51 119.21 1oni h ILE 95 Ca 0.39 -1.74 0.10 0.00 1.00 0.00 0.00 64.86 64.61 1oni h ILE 95 Cb 0.00 1.86 -0.07 0.00 -0.74 0.00 0.00 36.82 37.87 1oni h ILE 95 CO -0.13 0.55 0.46 0.22 0.00 0.00 0.00 178.15 179.25 1oni h TYR 96 N 0.42 0.83 0.00 1.37 5.03 -0.53 -0.31 116.97 123.79 1oni h TYR 96 Ca -0.01 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.33 1oni h TYR 96 Cb 1.13 -0.25 0.00 0.00 1.55 0.00 0.00 36.73 39.16 1oni h TYR 96 CO 0.09 0.33 0.00 1.63 -1.32 0.00 0.00 178.16 178.89 1oni n LYS 97 N -4.76 0.06 0.19 1.82 5.02 -0.61 -1.18 118.16 118.71 1oni n LYS 97 Ca 0.13 0.29 0.14 0.00 -2.02 0.00 0.00 58.31 56.85 1oni n LYS 97 Cb 0.28 -1.62 0.43 0.00 -0.02 0.00 0.00 35.03 34.10 1oni n LYS 97 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1oni h GLN 98 N 0.00 0.00 0.00 1.97 4.20 -1.11 -3.37 115.11 116.79 1oni h GLN 98 Ca 0.00 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 1oni h GLN 98 Cb 0.31 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.07 1oni h GLN 98 CO 0.00 0.00 -1.50 0.66 -0.67 0.00 0.00 178.83 177.32 1oni n TYR 99 N -2.74 0.00 -3.44 2.96 4.02 -0.67 -4.86 117.16 112.43 1oni n TYR 99 Ca 0.03 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.49 1oni n TYR 99 Cb 0.39 -0.34 -0.07 0.00 -0.02 0.00 0.00 39.34 39.30 1oni n TYR 99 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1oni s PHE 100 N -2.18 3.33 -0.04 -0.72 0.08 -0.33 -4.81 117.98 113.31 1oni s PHE 100 Ca -0.11 -1.55 -0.23 0.00 0.12 0.00 0.00 56.93 55.17 1oni s PHE 100 Cb 0.03 -3.60 -0.27 0.00 -0.57 0.00 0.00 43.02 38.61 1oni s PHE 100 CO 0.22 -0.99 0.96 0.87 -0.10 0.00 0.00 175.22 176.18 1oni h LYS 101 N 8.66 0.27 0.00 0.44 6.56 -1.86 -3.39 116.57 127.25 1oni h LYS 101 Ca -0.26 -0.37 -0.03 0.00 -1.06 0.00 0.00 60.65 58.94 1oni h LYS 101 Cb 1.09 0.12 0.00 0.00 -0.57 0.00 0.00 32.23 32.87 1oni h LYS 101 CO 0.94 1.12 0.11 -1.13 -2.06 0.00 0.00 179.45 178.42 1oni n SER 102 N -4.28 -1.03 -4.12 0.86 3.41 -1.26 -4.97 113.62 102.22 1oni n SER 102 Ca -0.12 -1.76 -0.38 0.00 -0.26 0.00 0.00 58.87 56.35 1oni n SER 102 Cb 0.68 1.73 -0.03 0.00 -0.26 0.00 0.00 64.21 66.34 1oni n SER 102 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1oni n ASN 103 N -1.31 -1.91 -4.75 4.04 3.02 -1.26 -4.75 115.26 108.33 1oni n ASN 103 Ca -0.04 -1.22 -0.37 0.00 -0.03 0.00 0.00 54.58 52.92 1oni n ASN 103 Cb 0.28 -1.48 0.03 0.00 -0.61 0.00 0.00 39.78 38.00 1oni n ASN 103 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1oni s PHE 104 N -3.90 2.44 0.77 3.10 0.40 -1.26 -4.98 117.98 114.55 1oni s PHE 104 Ca 0.28 1.46 -0.14 0.00 -0.60 0.00 0.00 56.93 57.93 1oni s PHE 104 Cb -0.16 -3.60 0.06 0.00 0.51 0.00 0.00 43.02 39.84 1oni s PHE 104 CO 0.92 -2.38 1.20 -2.14 0.70 0.00 0.00 175.22 173.52 1oni s PRO 105 N -3.02 1.88 0.78 0.24 0.02 -1.26 -5.00 135.00 128.65 1oni s PRO 105 Ca 0.72 1.73 -0.13 0.00 0.02 0.00 0.00 61.00 63.35 1oni s PRO 105 Cb -0.34 -1.81 0.07 0.00 0.02 0.00 0.00 34.50 32.44 1oni s PRO 105 CO 0.40 -2.02 1.16 0.00 -0.33 0.00 0.00 177.00 176.20 1oni s ALA 106 N -2.11 1.99 -0.01 -1.55 0.00 -0.35 -4.84 121.76 114.90 1oni s ALA 106 Ca 0.73 0.65 -0.13 0.00 0.00 0.00 0.00 51.96 53.21 1oni s ALA 106 Cb -0.28 -3.41 0.02 0.00 0.00 0.00 0.00 23.12 19.44 1oni s ALA 106 CO 0.48 -2.06 0.28 0.50 0.00 0.00 0.00 175.76 174.96 1oni s ARG 107 N -4.33 0.65 0.07 0.00 3.52 -1.26 -1.08 118.95 116.52 1oni s ARG 107 Ca 0.69 -0.26 0.07 0.00 -0.13 0.00 0.00 55.73 56.10 1oni s ARG 107 Cb -0.24 0.28 -0.03 0.00 -1.56 0.00 0.00 34.95 33.40 1oni s ARG 107 CO 0.50 -0.18 -0.19 0.00 -0.81 0.00 0.00 175.30 174.62 1oni s ALA 108 N -1.45 1.66 -0.19 6.12 0.00 -0.89 -4.98 121.76 122.03 1oni s ALA 108 Ca -0.13 -1.12 -0.15 0.00 0.00 0.00 0.00 51.96 50.56 1oni s ALA 108 Cb -0.05 -0.25 0.05 0.00 0.00 0.00 0.00 23.12 22.87 1oni s ALA 108 CO 0.03 0.34 0.49 0.00 0.00 0.00 0.00 175.76 176.62 1oni s ALA 109 N -1.03 -1.25 0.10 0.00 0.00 -1.26 -0.43 121.76 117.89 1oni s ALA 109 Ca 0.05 1.53 -0.26 0.00 0.00 0.00 0.00 51.96 53.28 1oni s ALA 109 Cb -0.09 -0.90 0.08 0.00 0.00 0.00 0.00 23.12 22.20 1oni s ALA 109 CO 0.03 -0.26 0.87 1.52 0.00 0.00 0.00 175.76 177.92 1oni s TYR 110 N 0.67 -0.27 -0.12 0.00 1.13 -1.08 -5.00 117.35 112.67 1oni s TYR 110 Ca -0.03 0.04 -0.13 0.00 -1.41 0.00 0.00 57.07 55.53 1oni s TYR 110 Cb -0.05 0.59 -0.05 0.00 -1.10 0.00 0.00 41.96 41.36 1oni s TYR 110 CO -0.04 -0.74 0.31 -1.14 -2.51 0.00 0.00 175.55 171.42 1oni s GLN 111 N -3.32 4.11 0.48 -3.49 0.74 -1.26 -1.49 119.66 115.42 1oni s GLN 111 Ca 0.08 0.14 0.07 0.00 0.05 0.00 0.00 55.36 55.71 1oni s GLN 111 Cb -0.02 -3.36 0.01 0.00 1.10 0.00 0.00 33.01 30.75 1oni s GLN 111 CO -0.04 0.38 0.46 0.14 -0.55 0.00 0.00 175.29 175.68 1oni s VAL 112 N 0.03 2.30 0.10 1.34 -7.23 -0.54 -4.91 120.40 111.49 1oni s VAL 112 Ca 0.18 -1.32 -0.08 0.00 -1.81 0.00 0.00 61.98 58.95 1oni s VAL 112 Cb -0.14 -2.62 -0.23 0.00 0.56 0.00 0.00 36.38 33.96 1oni s VAL 112 CO 0.06 0.00 1.22 0.00 -0.31 0.00 0.00 175.10 176.07 1oni h ALA 113 N 0.80 0.21 -1.72 1.32 0.00 -1.95 -3.44 119.26 114.49 1oni h ALA 113 Ca -0.38 -0.74 0.03 0.00 0.00 0.00 0.00 54.91 53.81 1oni h ALA 113 Cb 1.28 0.02 -0.22 0.00 0.00 0.00 0.00 17.79 18.88 1oni h ALA 113 CO 0.54 0.79 0.40 0.00 0.00 0.00 0.00 179.25 180.98 1oni s ALA 114 N -3.14 -1.88 0.27 0.00 0.00 -1.26 -5.06 121.76 110.69 1oni s ALA 114 Ca -0.07 1.56 0.11 0.00 0.00 0.00 0.00 51.96 53.56 1oni s ALA 114 Cb 0.08 -0.61 -0.05 0.00 0.00 0.00 0.00 23.12 22.54 1oni s ALA 114 CO 0.89 -0.32 -0.10 -0.51 0.00 0.00 0.00 175.76 175.72 1oni s LEU 115 N -0.89 2.91 0.23 0.00 1.43 -1.26 -5.08 118.68 116.02 1oni s LEU 115 Ca -0.04 -0.82 -0.31 0.00 -1.03 0.00 0.00 54.13 51.93 1oni s LEU 115 Cb -0.01 -1.43 -0.14 0.00 0.03 0.00 0.00 46.19 44.64 1oni s LEU 115 CO 0.03 0.02 1.28 -2.65 0.23 0.00 0.00 176.35 175.26 1oni n PRO 116 N -0.73 1.70 -1.16 1.29 -0.02 -1.26 -2.02 135.00 132.81 1oni n PRO 116 Ca -0.06 0.60 -0.05 0.00 -2.02 0.00 0.00 63.50 61.97 1oni n PRO 116 Cb 0.59 -2.17 -0.02 0.00 -0.02 0.00 0.00 33.50 31.88 1oni n PRO 116 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1oni n LYS 117 N 1.66 -1.29 -1.72 -0.52 5.02 -1.26 -1.94 118.16 118.11 1oni n LYS 117 Ca 0.12 0.60 -0.08 0.00 -2.02 0.00 0.00 58.31 56.93 1oni n LYS 117 Cb 0.30 -4.70 -0.02 0.00 -0.02 0.00 0.00 35.03 30.59 1oni n LYS 117 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1oni n GLY 118 N -0.49 0.51 3.68 0.72 0.00 -0.85 -5.01 105.19 103.74 1oni n GLY 118 Ca -0.05 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 1oni n GLY 118 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1oni n SER 119 N 0.50 1.37 0.07 1.61 7.64 -0.82 -4.95 113.62 119.04 1oni n SER 119 Ca -0.09 0.77 0.12 0.00 1.01 0.00 0.00 58.87 60.68 1oni n SER 119 Cb 0.43 -1.48 0.10 0.00 -1.01 0.00 0.00 64.21 62.25 1oni n SER 119 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1oni h ARG 120 N 0.25 0.00 -2.44 1.43 2.47 -1.93 -3.41 114.38 110.76 1oni h ARG 120 Ca -0.49 0.00 -0.09 0.00 -1.26 0.00 0.00 59.98 58.14 1oni h ARG 120 Cb 1.34 0.00 -0.22 0.00 -1.65 0.00 0.00 29.97 29.44 1oni h ARG 120 CO 0.51 0.00 -0.07 -1.50 0.56 0.00 0.00 179.97 179.47 1oni s ILE 121 N -3.23 0.01 -0.03 2.04 2.07 -1.26 -1.24 121.20 119.55 1oni s ILE 121 Ca 0.04 -0.05 0.01 0.00 -1.41 0.00 0.00 60.65 59.24 1oni s ILE 121 Cb 0.12 -0.77 0.02 0.00 0.13 0.00 0.00 42.46 41.96 1oni s ILE 121 CO 0.75 -0.03 -0.03 -0.70 -1.91 0.00 0.00 174.94 173.02 1oni s GLU 122 N -0.08 0.56 -0.14 3.50 2.12 -0.17 -4.42 118.70 120.07 1oni s GLU 122 Ca -0.03 -0.06 0.00 0.00 0.36 0.00 0.00 54.97 55.25 1oni s GLU 122 Cb -0.03 -0.62 0.02 0.00 0.26 0.00 0.00 34.13 33.76 1oni s GLU 122 CO 0.02 -0.06 -0.13 0.42 -0.54 0.00 0.00 175.26 174.97 1oni s ILE 123 N 0.74 1.49 0.30 -3.70 1.01 -0.28 -0.28 121.20 120.48 1oni s ILE 123 Ca -0.09 -0.59 0.08 0.00 0.00 0.00 0.00 60.65 60.05 1oni s ILE 123 Cb -0.12 -1.40 -0.03 0.00 0.01 0.00 0.00 42.46 40.92 1oni s ILE 123 CO -0.01 0.44 0.22 -1.83 0.00 0.00 0.00 174.94 173.77 1oni s GLU 124 N 1.43 2.74 0.13 2.79 -1.05 -0.79 -0.82 118.70 123.13 1oni s GLU 124 Ca 0.03 -1.23 -0.15 0.00 -0.15 0.00 0.00 54.97 53.46 1oni s GLU 124 Cb -0.13 -2.46 0.03 0.00 -0.44 0.00 0.00 34.13 31.13 1oni s GLU 124 CO -0.09 0.24 0.40 0.00 0.95 0.00 0.00 175.26 176.75 1oni s ALA 125 N -2.25 -0.85 -0.06 -0.84 0.00 -1.18 -1.09 121.76 115.50 1oni s ALA 125 Ca 0.37 -0.14 0.04 0.00 0.00 0.00 0.00 51.96 52.22 1oni s ALA 125 Cb -0.06 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.76 1oni s ALA 125 CO 0.25 -0.65 -0.17 0.08 0.00 0.00 0.00 175.76 175.27 1oni s VAL 126 N -3.82 1.47 0.20 0.00 1.01 0.15 -1.20 120.40 118.20 1oni s VAL 126 Ca 0.04 -0.71 0.07 0.00 0.00 0.00 0.00 61.98 61.38 1oni s VAL 126 Cb 0.02 -1.28 -0.05 0.00 0.00 0.00 0.00 36.38 35.07 1oni s VAL 126 CO -0.10 0.43 -0.12 0.00 0.00 0.00 0.00 175.10 175.30 1oni s ALA 127 N 0.27 1.89 -0.15 5.51 0.00 -0.41 -0.84 121.76 128.03 1oni s ALA 127 Ca -0.10 -1.64 -0.00 0.00 0.00 0.00 0.00 51.96 50.22 1oni s ALA 127 Cb -0.14 -0.01 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 1oni s ALA 127 CO 0.04 0.00 -0.14 0.42 0.00 0.00 0.00 175.76 176.08 1oni s ILE 128 N -3.08 2.83 0.29 0.00 -1.09 -0.40 -0.30 121.20 119.45 1oni s ILE 128 Ca 0.22 -0.72 -0.29 0.00 -2.23 0.00 0.00 60.65 57.62 1oni s ILE 128 Cb 0.01 -2.20 -0.10 0.00 -1.58 0.00 0.00 42.46 38.59 1oni s ILE 128 CO 0.06 0.51 1.34 -1.58 -1.23 0.00 0.00 174.94 174.04 1oni s GLN 129 N 0.69 4.34 0.93 2.79 0.74 0.12 -4.76 119.66 124.52 1oni s GLN 129 Ca -0.07 2.21 -0.15 0.00 0.05 0.00 0.00 55.36 57.40 1oni s GLN 129 Cb -0.15 -3.10 0.17 0.00 1.10 0.00 0.00 33.01 31.03 1oni s GLN 129 CO 0.02 -0.26 1.28 0.20 -0.55 0.00 0.00 175.29 175.98 1oni s GLY 130 N -0.13 1.73 0.38 2.59 0.00 -1.26 -4.79 107.32 105.84 1oni s GLY 130 Ca 0.53 -1.06 -0.23 0.00 0.00 0.00 0.00 44.72 43.96 1oni s GLY 130 CO 0.48 -0.35 0.95 -4.14 0.00 0.00 0.00 173.10 170.04 1oni s PRO 131 N -5.79 4.38 0.01 2.90 0.02 -1.26 -5.14 135.00 130.11 1oni s PRO 131 Ca 0.71 1.24 0.06 0.00 0.02 0.00 0.00 61.00 63.02 1oni s PRO 131 Cb -0.06 -2.47 -0.02 0.00 0.02 0.00 0.00 34.50 31.97 1oni s PRO 131 CO 0.52 0.09 -0.17 -0.51 -0.33 0.00 0.00 177.00 176.60 1oni s LEU 132 N -2.66 2.10 -0.08 -5.54 1.43 -1.26 -5.15 118.68 107.52 1oni s LEU 132 Ca 0.57 -0.40 0.03 0.00 -1.03 0.00 0.00 54.13 53.30 1oni s LEU 132 Cb -0.14 -0.84 0.01 0.00 0.03 0.00 0.00 46.19 45.24 1oni s LEU 132 CO 0.19 0.16 -0.17 -0.89 0.23 0.00 0.00 176.35 175.87 1oni s THR 133 N -0.60 1.50 -0.16 5.49 2.01 -1.26 -5.13 115.64 117.49 1oni s THR 133 Ca 0.06 -0.69 -0.06 0.00 0.31 0.00 0.00 61.69 61.31 1oni s THR 133 Cb -0.07 -1.34 -0.04 0.00 0.01 0.00 0.00 72.50 71.06 1oni s THR 133 CO 0.00 0.44 0.04 -0.89 -0.69 0.00 0.00 174.62 173.52 1oni s THR 134 N 0.56 4.60 -2.66 -0.82 2.01 -1.26 -5.31 115.64 112.76 1oni s THR 134 Ca -0.16 -0.11 0.27 0.00 0.31 0.00 0.00 61.69 62.00 1oni s THR 134 Cb -0.17 -3.04 0.44 0.00 0.01 0.00 0.00 72.50 69.74 1oni s THR 134 CO 0.05 0.50 1.59 0.00 -0.69 0.00 0.00 174.62 176.07