#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oni s SER 3 N 0.00 7.32 -0.04 -3.46 1.04 -1.26 -5.05 113.70 112.25 1oni s SER 3 Ca 0.00 1.88 -0.01 0.00 0.48 0.00 0.00 55.95 58.30 1oni s SER 3 Cb 0.00 -2.59 -0.04 0.00 0.10 0.00 0.00 66.02 63.50 1oni s SER 3 CO 0.00 -0.24 0.04 -0.76 0.98 0.00 0.00 173.24 173.26 1oni s LEU 4 N 0.38 3.75 -0.03 2.42 1.43 -1.26 -5.10 118.68 120.26 1oni s LEU 4 Ca 0.51 0.14 -0.14 0.00 -1.03 0.00 0.00 54.13 53.62 1oni s LEU 4 Cb -0.26 -2.04 -0.05 0.00 0.03 0.00 0.00 46.19 43.87 1oni s LEU 4 CO 0.31 0.32 0.37 -0.63 0.23 0.00 0.00 176.35 176.95 1oni s ILE 5 N -1.05 5.12 -0.16 -0.59 1.01 -1.26 -5.00 121.20 119.27 1oni s ILE 5 Ca 0.18 0.74 -0.03 0.00 0.00 0.00 0.00 60.65 61.54 1oni s ILE 5 Cb -0.12 -3.67 -0.02 0.00 0.01 0.00 0.00 42.46 38.66 1oni s ILE 5 CO 0.08 0.56 -0.05 -0.60 0.00 0.00 0.00 174.94 174.93 1oni s ARG 6 N -0.88 3.60 -0.11 2.79 3.00 -1.26 -3.80 118.95 122.29 1oni s ARG 6 Ca 0.22 -0.55 0.02 0.00 -1.00 0.00 0.00 55.73 54.42 1oni s ARG 6 Cb -0.16 -2.89 0.01 0.00 0.00 0.00 0.00 34.95 31.91 1oni s ARG 6 CO 0.11 0.19 -0.17 0.50 0.00 0.00 0.00 175.30 175.94 1oni s ARG 7 N 0.49 2.35 -0.04 5.12 3.52 0.17 -4.99 118.95 125.58 1oni s ARG 7 Ca -0.04 -0.61 -0.28 0.00 -0.13 0.00 0.00 55.73 54.66 1oni s ARG 7 Cb -0.14 -1.96 -0.03 0.00 -1.56 0.00 0.00 34.95 31.26 1oni s ARG 7 CO 0.03 -0.03 0.91 0.08 -0.81 0.00 0.00 175.30 175.48 1oni s VAL 8 N 0.89 4.90 -0.04 7.11 1.01 -1.26 -0.48 120.40 132.53 1oni s VAL 8 Ca -0.08 1.89 -0.22 0.00 0.00 0.00 0.00 61.98 63.58 1oni s VAL 8 Cb -0.15 -4.25 -0.05 0.00 0.00 0.00 0.00 36.38 31.94 1oni s VAL 8 CO -0.00 0.15 0.63 -0.63 0.00 0.00 0.00 175.10 175.25 1oni s ILE 9 N 1.15 4.98 -0.04 2.22 -1.09 0.93 -4.96 121.20 124.39 1oni s ILE 9 Ca 0.47 1.31 -0.01 0.00 -2.23 0.00 0.00 60.65 60.19 1oni s ILE 9 Cb -0.20 -3.97 0.03 0.00 -1.58 0.00 0.00 42.46 36.74 1oni s ILE 9 CO 0.24 0.34 0.09 -0.55 -1.23 0.00 0.00 174.94 173.82 1oni s SER 10 N 0.31 -0.02 -0.13 3.58 0.15 -1.26 -3.65 113.70 112.66 1oni s SER 10 Ca 0.33 0.17 -0.11 0.00 0.70 0.00 0.00 55.95 57.04 1oni s SER 10 Cb -0.18 0.07 0.04 0.00 -1.71 0.00 0.00 66.02 64.24 1oni s SER 10 CO 0.17 -0.13 0.35 0.28 1.20 0.00 0.00 173.24 175.11 1oni s THR 11 N 1.02 -0.01 -1.12 6.45 -1.32 -1.26 -5.00 115.64 114.40 1oni s THR 11 Ca -0.08 0.03 0.22 0.00 -1.21 0.00 0.00 61.69 60.65 1oni s THR 11 Cb -0.11 -0.50 0.24 0.00 -1.51 0.00 0.00 72.50 70.62 1oni s THR 11 CO -0.04 0.01 1.71 0.00 -2.21 0.00 0.00 174.62 174.09 1oni n ALA 12 N 3.28 2.04 0.91 11.08 0.00 -1.26 -2.50 120.51 134.06 1oni n ALA 12 Ca -0.16 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.31 1oni n ALA 12 Cb 0.57 -1.36 0.53 0.00 0.00 0.00 0.00 19.45 19.19 1oni n ALA 12 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1oni n LYS 13 N -1.44 0.13 -4.44 0.00 5.02 -1.26 -4.71 118.16 111.46 1oni n LYS 13 Ca 0.07 0.09 -0.22 0.00 -2.02 0.00 0.00 58.31 56.23 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 -2.84 2.45 0.32 7.82 0.00 -1.04 -4.85 121.76 123.63 1oni s ALA 14 Ca 0.15 -1.88 -0.29 0.00 0.00 0.00 0.00 51.96 49.94 1oni s ALA 14 Cb 0.15 0.00 -0.11 0.00 0.00 0.00 0.00 23.12 23.16 1oni s ALA 14 CO 0.39 0.05 1.56 -2.30 0.00 0.00 0.00 175.76 175.46 1oni n PRO 15 N -0.58 2.69 -1.73 0.00 -0.02 -1.26 -4.84 135.00 129.26 1oni n PRO 15 Ca -0.06 0.95 -0.33 0.00 -2.02 0.00 0.00 63.50 62.05 1oni n PRO 15 Cb 0.62 -2.72 0.05 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 0.27 2.07 0.30 -1.23 0.00 -1.26 -4.96 107.32 102.52 1oni s GLY 16 Ca 0.60 0.47 -0.30 0.00 0.00 0.00 0.00 44.72 45.50 1oni s GLY 16 CO 0.54 0.81 1.56 0.00 0.00 0.00 0.00 173.10 176.01 1oni s ALA 17 N -2.45 3.70 -0.24 3.20 0.00 -1.26 -4.92 121.76 119.79 1oni s ALA 17 Ca 0.65 1.54 0.13 0.00 0.00 0.00 0.00 51.96 54.29 1oni s ALA 17 Cb -0.19 -3.63 0.55 0.00 0.00 0.00 0.00 23.12 19.85 1oni s ALA 17 CO 0.43 -0.97 1.49 0.44 0.00 0.00 0.00 175.76 177.15 1oni n ILE 18 N 1.87 2.47 -3.53 0.00 -5.35 -1.26 -4.99 119.36 108.56 1oni n ILE 18 Ca 0.07 -2.15 -0.06 0.00 -0.27 0.00 0.00 62.75 60.34 1oni n ILE 18 Cb 0.38 -0.30 0.02 0.00 -1.74 0.00 0.00 39.64 38.00 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 -0.71 1.39 2.53 3.28 0.00 -1.26 -5.06 105.19 105.36 1oni n GLY 19 Ca 0.29 -1.19 -0.40 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.35 3.22 -3.98 1.61 -0.04 -1.26 -4.88 135.00 129.32 1oni n PRO 20 Ca -0.05 -2.35 -0.09 0.00 -0.04 0.00 0.00 63.50 60.96 1oni n PRO 20 Cb 0.38 -3.02 -0.08 0.00 -0.04 0.00 0.00 33.50 30.75 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 2.74 0.43 0.16 0.54 -0.85 -1.26 -5.16 117.35 113.94 1oni s TYR 21 Ca 0.58 -0.82 0.04 0.00 -0.52 0.00 0.00 57.07 56.35 1oni s TYR 21 Cb 0.16 -0.16 -0.04 0.00 0.38 0.00 0.00 41.96 42.30 1oni s TYR 21 CO -0.07 -0.61 0.17 -1.12 -1.52 0.00 0.00 175.55 172.40 1oni s SER 22 N -2.95 5.72 0.24 -0.18 0.01 -1.26 -4.75 113.70 110.53 1oni s SER 22 Ca 0.14 -0.05 -0.07 0.00 1.31 0.00 0.00 55.95 57.28 1oni s SER 22 Cb 0.05 -1.56 0.24 0.00 0.21 0.00 0.00 66.02 64.96 1oni s SER 22 CO -0.03 0.07 1.91 1.56 0.41 0.00 0.00 173.24 177.15 1oni h GLN 23 N 2.38 1.18 -2.14 12.44 4.20 -1.95 -3.41 115.11 127.82 1oni h GLN 23 Ca -0.48 -0.07 0.05 0.00 0.06 0.00 0.00 58.65 58.21 1oni h GLN 23 Cb 1.20 -0.27 -0.18 0.00 0.30 0.00 0.00 27.48 28.53 1oni h GLN 23 CO 0.65 0.78 0.41 0.00 -0.67 0.00 0.00 178.83 180.00 1oni s ALA 24 N -6.12 -1.81 -0.08 3.87 0.00 -1.24 -1.15 121.76 115.24 1oni s ALA 24 Ca -0.13 1.15 0.02 0.00 0.00 0.00 0.00 51.96 53.00 1oni s ALA 24 Cb 0.17 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.41 1oni s ALA 24 CO 0.80 -0.54 -0.12 0.08 0.00 0.00 0.00 175.76 175.99 1oni s VAL 25 N -2.32 1.15 -0.17 0.00 1.01 -0.76 -0.05 120.40 119.26 1oni s VAL 25 Ca -0.00 -0.46 -0.06 0.00 0.00 0.00 0.00 61.98 61.45 1oni s VAL 25 Cb -0.01 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 1oni s VAL 25 CO -0.03 0.36 0.02 -0.22 0.00 0.00 0.00 175.10 175.23 1oni s LEU 26 N 0.86 3.59 -0.06 3.92 2.96 0.37 -1.23 118.68 129.07 1oni s LEU 26 Ca -0.11 -0.00 -0.03 0.00 -0.22 0.00 0.00 54.13 53.77 1oni s LEU 26 Cb -0.15 -1.89 0.04 0.00 0.50 0.00 0.00 46.19 44.69 1oni s LEU 26 CO 0.01 0.17 0.12 0.54 -1.32 0.00 0.00 176.35 175.87 1oni s VAL 27 N 0.37 -0.17 -1.44 1.68 0.11 0.44 -0.65 120.40 120.73 1oni s VAL 27 Ca 0.00 0.34 -0.12 0.00 -2.93 0.00 0.00 61.98 59.27 1oni s VAL 27 Cb -0.13 -0.23 0.09 0.00 -1.53 0.00 0.00 36.38 34.58 1oni s VAL 27 CO 0.01 0.14 0.67 -0.67 -3.33 0.00 0.00 175.10 171.93 1oni n ASP 28 N 5.07 -4.00 0.00 3.54 2.03 -1.25 -1.55 116.55 120.40 1oni n ASP 28 Ca -0.09 -0.60 0.00 0.00 0.52 0.00 0.00 54.79 54.62 1oni n ASP 28 Cb 0.50 -3.26 0.00 0.00 -0.72 0.00 0.00 41.12 37.64 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 -4.09 0.00 -3.73 -0.67 5.12 -1.26 -5.04 116.66 106.99 1oni n ARG 29 Ca 0.02 0.00 -0.36 0.00 -1.93 0.00 0.00 57.85 55.58 1oni n ARG 29 Cb 0.53 -0.20 -0.07 0.00 -1.16 0.00 0.00 32.46 31.56 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 -2.48 5.41 -0.21 0.55 2.01 -0.59 -1.19 115.64 119.13 1oni s THR 30 Ca 0.00 0.27 -0.01 0.00 0.31 0.00 0.00 61.69 62.25 1oni s THR 30 Cb 0.00 -3.48 0.01 0.00 0.01 0.00 0.00 72.50 69.04 1oni s THR 30 CO 0.00 0.48 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.67 1oni s ILE 31 N -0.00 2.72 -0.32 1.82 1.01 -0.07 -0.42 121.20 125.93 1oni s ILE 31 Ca 0.11 -0.82 -0.13 0.00 0.00 0.00 0.00 60.65 59.82 1oni s ILE 31 Cb -0.12 -2.25 -0.03 0.00 0.01 0.00 0.00 42.46 40.08 1oni s ILE 31 CO 0.01 0.40 0.26 -0.31 0.00 0.00 0.00 174.94 175.30 1oni s TYR 32 N 1.36 3.22 -0.18 3.97 1.51 -0.37 -0.99 117.35 125.88 1oni s TYR 32 Ca 0.04 -0.06 -0.07 0.00 -1.01 0.00 0.00 57.07 55.97 1oni s TYR 32 Cb -0.14 -2.50 -0.04 0.00 -0.11 0.00 0.00 41.96 39.17 1oni s TYR 32 CO -0.07 -0.32 0.04 0.42 -1.11 0.00 0.00 175.55 174.51 1oni s ILE 33 N 1.81 4.58 0.85 2.71 1.01 -0.05 -1.82 121.20 130.28 1oni s ILE 33 Ca 0.08 -0.11 -0.12 0.00 0.00 0.00 0.00 60.65 60.50 1oni s ILE 33 Cb -0.17 -3.06 0.10 0.00 0.01 0.00 0.00 42.46 39.35 1oni s ILE 33 CO 0.11 0.46 1.14 -1.20 0.00 0.00 0.00 174.94 175.45 1oni n SER 34 N 3.60 0.64 -4.69 3.58 7.64 -0.30 -3.21 113.62 120.88 1oni n SER 34 Ca -0.17 0.53 -0.44 0.00 1.01 0.00 0.00 58.87 59.80 1oni n SER 34 Cb 0.52 -1.48 -0.04 0.00 -1.01 0.00 0.00 64.21 62.20 1oni n SER 34 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1oni n GLY 35 N 0.52 1.47 3.73 0.23 0.00 -1.26 -4.58 105.19 105.30 1oni n GLY 35 Ca 0.13 0.71 -0.35 0.00 0.00 0.00 0.00 46.02 46.50 1oni n GLY 35 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1oni s GLN 36 N 2.22 3.10 0.47 1.61 -1.52 0.26 -4.82 119.66 120.97 1oni s GLN 36 Ca 0.82 -0.34 0.04 0.00 -1.95 0.00 0.00 55.36 53.92 1oni s GLN 36 Cb -0.57 -2.89 -0.04 0.00 -0.22 0.00 0.00 33.01 29.29 1oni s GLN 36 CO 0.39 0.72 0.03 0.96 -0.25 0.00 0.00 175.29 177.13 1oni s ILE 37 N -0.90 1.56 0.00 1.08 -4.36 -1.26 -0.95 121.20 116.36 1oni s ILE 37 Ca 0.14 -1.97 -0.00 0.00 -0.26 0.00 0.00 60.65 58.55 1oni s ILE 37 Cb -0.11 -2.52 -0.02 0.00 1.25 0.00 0.00 42.46 41.05 1oni s ILE 37 CO 0.03 0.00 1.86 0.61 0.24 0.00 0.00 174.94 177.68 1oni n GLY 38 N -1.17 2.28 3.78 6.27 0.00 -1.24 -3.94 105.19 111.16 1oni n GLY 38 Ca -0.12 -0.09 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 1oni n GLY 38 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1oni s MET 39 N 0.35 4.57 -0.15 1.61 0.00 -1.26 -1.10 119.30 123.32 1oni s MET 39 Ca 0.05 1.17 -0.21 0.00 0.00 0.00 0.00 55.69 56.70 1oni s MET 39 Cb 0.02 -3.22 -0.03 0.00 0.00 0.00 0.00 34.83 31.60 1oni s MET 39 CO 0.00 0.55 0.63 0.34 0.00 0.00 0.00 175.02 176.54 1oni s ASP 40 N -1.20 6.77 0.29 1.11 3.68 -0.20 -4.72 116.67 122.40 1oni s ASP 40 Ca 0.37 0.93 0.03 0.00 2.13 0.00 0.00 52.55 56.01 1oni s ASP 40 Cb -0.23 -2.36 0.61 0.00 -1.45 0.00 0.00 42.92 39.50 1oni s ASP 40 CO 0.26 -0.19 1.83 -0.65 0.13 0.00 0.00 175.17 176.55 1oni h PRO 41 N 7.16 0.90 0.00 4.34 0.11 -1.88 0.66 132.00 143.29 1oni h PRO 41 Ca -0.35 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.66 1oni h PRO 41 Cb 1.16 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 1oni h PRO 41 CO 0.77 0.60 -0.30 0.66 -0.21 0.00 0.00 178.00 179.51 1oni h SER 42 N 0.93 0.00 0.00 -2.05 4.64 -1.93 -3.32 113.55 111.82 1oni h SER 42 Ca 0.51 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.64 1oni h SER 42 Cb 0.59 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.64 1oni h SER 42 CO -0.28 0.18 -1.98 -1.54 -0.87 0.00 0.00 176.83 172.33 1oni n SER 43 N -3.09 1.09 -1.20 4.97 3.41 -1.00 -4.98 113.62 112.82 1oni n SER 43 Ca 0.02 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.53 1oni n SER 43 Cb 0.61 1.20 -0.01 0.00 -0.26 0.00 0.00 64.21 65.75 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 1.85 0.08 3.19 5.00 0.00 0.23 -5.01 105.19 110.53 1oni n GLY 44 Ca -0.18 -0.44 -0.20 0.00 0.00 0.00 0.00 46.02 45.20 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 -4.34 0.92 0.49 1.61 -0.21 -1.24 -4.89 119.66 112.01 1oni s GLN 45 Ca 0.00 -0.96 -0.24 0.00 0.02 0.00 0.00 55.36 54.18 1oni s GLN 45 Cb 0.00 -0.98 -0.07 0.00 1.00 0.00 0.00 33.01 32.96 1oni s GLN 45 CO 0.00 0.23 1.40 1.28 -2.12 0.00 0.00 175.29 176.07 1oni n LEU 46 N 1.37 5.28 -4.79 2.90 4.77 -1.26 -1.03 117.00 124.24 1oni n LEU 46 Ca -0.20 1.06 -0.31 0.00 -0.03 0.00 0.00 56.01 56.52 1oni n LEU 46 Cb 0.54 -1.59 0.07 0.00 -2.33 0.00 0.00 43.42 40.11 1oni n LEU 46 CO 0.22 -0.35 0.71 0.68 -1.33 0.00 0.00 177.39 177.31 1oni s VAL 47 N -1.23 3.57 0.60 4.08 -7.23 -0.26 -4.82 120.40 115.11 1oni s VAL 47 Ca 0.66 0.52 -0.04 0.00 -1.81 0.00 0.00 61.98 61.31 1oni s VAL 47 Cb -0.44 -3.10 0.03 0.00 0.56 0.00 0.00 36.38 33.43 1oni s VAL 47 CO 0.54 -0.65 0.89 -0.94 -0.31 0.00 0.00 175.10 174.63 1oni s SER 48 N -3.48 5.34 0.00 4.85 1.04 -1.26 -4.58 113.70 115.61 1oni s SER 48 Ca 0.60 0.48 0.00 0.00 0.48 0.00 0.00 55.95 57.51 1oni s SER 48 Cb -0.16 -1.38 0.00 0.00 0.10 0.00 0.00 66.02 64.58 1oni s SER 48 CO 0.55 -1.19 0.00 0.61 0.98 0.00 0.00 173.24 174.18 1oni n GLY 49 N -2.59 1.34 3.70 7.32 0.00 -1.26 -4.75 105.19 108.95 1oni n GLY 49 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 -1.07 -1.76 0.33 -0.02 0.00 -1.26 -4.48 105.19 96.93 1oni n GLY 50 Ca 0.00 -1.66 0.01 0.00 0.00 0.00 0.00 46.02 44.37 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 1.03 -0.22 1.61 3.04 -1.95 0.15 116.25 119.90 1oni h VAL 51 Ca 0.00 -0.33 -0.01 0.00 -1.01 0.00 0.00 66.70 65.35 1oni h VAL 51 Cb 0.00 -0.03 -0.01 0.00 -2.01 0.00 0.00 31.29 29.24 1oni h VAL 51 CO 0.00 0.18 0.11 0.00 -1.01 0.00 0.00 177.57 176.85 1oni h ALA 52 N 1.42 0.28 -0.40 3.17 0.00 -1.95 0.21 119.26 122.00 1oni h ALA 52 Ca 0.39 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 55.07 1oni h ALA 52 Cb 0.21 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1oni h ALA 52 CO -0.19 -0.17 -0.33 0.93 0.00 0.00 0.00 179.25 179.49 1oni h GLU 53 N 0.23 0.92 -0.55 0.00 4.39 -1.54 -2.58 114.58 115.46 1oni h GLU 53 Ca 0.08 -0.45 -0.08 0.00 0.34 0.00 0.00 59.36 59.24 1oni h GLU 53 Cb 0.10 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 1oni h GLU 53 CO -0.01 1.11 0.03 0.93 -1.16 0.00 0.00 179.01 179.90 1oni h GLU 54 N 0.77 0.91 -0.36 2.33 5.08 -0.50 -2.21 114.58 120.60 1oni h GLU 54 Ca 0.08 -0.25 -0.04 0.00 -1.00 0.00 0.00 59.36 58.15 1oni h GLU 54 Cb 0.91 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1oni h GLU 54 CO 0.08 0.89 0.08 0.00 -1.00 0.00 0.00 179.01 179.07 1oni h ALA 55 N 1.17 0.47 -0.46 3.43 0.00 -0.46 0.99 119.26 124.41 1oni h ALA 55 Ca 0.16 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1oni h ALA 55 Cb 0.47 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1oni h ALA 55 CO 0.02 0.15 0.29 0.87 0.00 0.00 0.00 179.25 180.58 1oni h LYS 56 N 0.42 0.58 -0.55 0.00 1.57 -1.40 -1.23 116.57 115.96 1oni h LYS 56 Ca 0.11 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.79 1oni h LYS 56 Cb 0.32 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1oni h LYS 56 CO 0.00 0.38 0.07 0.37 -0.57 0.00 0.00 179.45 179.71 1oni h GLN 57 N 0.59 0.93 -0.59 3.15 5.75 -1.16 -0.66 115.11 123.12 1oni h GLN 57 Ca 0.17 -0.26 -0.01 0.00 -0.15 0.00 0.00 58.65 58.40 1oni h GLN 57 Cb -0.04 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.38 1oni h GLN 57 CO -0.05 0.90 0.31 0.00 -2.65 0.00 0.00 178.83 177.34 1oni h ALA 58 N 0.99 0.76 -0.55 3.38 0.00 -0.58 0.78 119.26 124.04 1oni h ALA 58 Ca 0.17 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1oni h ALA 58 Cb 0.44 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1oni h ALA 58 CO 0.01 0.29 -0.09 -0.07 0.00 0.00 0.00 179.25 179.39 1oni h LEU 59 N 0.80 1.03 -0.67 0.00 3.38 -1.09 -0.96 115.31 117.80 1oni h LEU 59 Ca 0.21 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.85 1oni h LEU 59 Cb 0.07 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1oni h LEU 59 CO -0.03 1.13 0.44 0.50 0.09 0.00 0.00 178.44 180.57 1oni h LYS 60 N 0.92 0.89 -0.82 1.13 3.64 -0.61 0.68 116.57 122.40 1oni h LYS 60 Ca 0.15 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1oni h LYS 60 Cb 0.66 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 1oni h LYS 60 CO 0.05 0.59 0.41 -0.91 -2.27 0.00 0.00 179.45 177.32 1oni h ASN 61 N 0.91 1.06 -0.69 4.20 2.35 -0.48 -2.00 115.58 120.92 1oni h ASN 61 Ca 0.25 -0.11 -0.07 0.00 -0.55 0.00 0.00 56.30 55.81 1oni h ASN 61 Cb -0.10 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 37.97 1oni h ASN 61 CO -0.05 0.88 0.17 -0.03 -1.65 0.00 0.00 177.43 176.75 1oni h MET 62 N 1.16 1.11 -0.76 0.81 4.05 -0.39 -2.51 114.93 118.41 1oni h MET 62 Ca 0.28 -0.26 -0.05 0.00 -0.28 0.00 0.00 59.70 59.40 1oni h MET 62 Cb 0.09 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 30.71 1oni h MET 62 CO -0.04 0.97 0.29 0.78 0.23 0.00 0.00 176.91 179.14 1oni h GLY 63 N 1.08 1.22 1.13 1.39 0.00 -0.20 -1.08 103.07 106.60 1oni h GLY 63 Ca 0.22 -0.67 -0.10 0.00 0.00 0.00 0.00 47.33 46.78 1oni h GLY 63 CO 0.00 0.63 -0.02 0.83 0.00 0.00 0.00 176.54 177.98 1oni h GLU 64 N 1.11 1.04 -0.62 4.80 4.39 -1.18 -0.53 114.58 123.58 1oni h GLU 64 Ca 0.25 -0.33 -0.06 0.00 0.34 0.00 0.00 59.36 59.55 1oni h GLU 64 Cb 0.23 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 1oni h GLU 64 CO -0.02 1.03 0.14 0.82 -1.16 0.00 0.00 179.01 179.82 1oni h ILE 65 N 0.95 1.26 -0.19 3.13 2.04 -1.11 -0.40 117.51 123.18 1oni h ILE 65 Ca 0.16 -0.95 -0.00 0.00 1.00 0.00 0.00 64.86 65.08 1oni h ILE 65 Cb 0.57 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.32 1oni h ILE 65 CO 0.03 0.35 0.11 -0.07 0.00 0.00 0.00 178.15 178.58 1oni h LEU 66 N 0.92 0.23 -1.06 1.44 3.38 -1.01 -2.64 115.31 116.56 1oni h LEU 66 Ca 0.19 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.14 1oni h LEU 66 Cb 0.38 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 1oni h LEU 66 CO 0.00 0.21 0.64 0.11 0.09 0.00 0.00 178.44 179.49 1oni h LYS 67 N 0.22 1.22 0.00 1.13 1.57 -0.85 0.16 116.57 120.02 1oni h LYS 67 Ca 0.07 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1oni h LYS 67 Cb 0.03 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.06 1oni h LYS 67 CO -0.01 0.81 0.00 0.00 -0.57 0.00 0.00 179.45 179.68 1oni h ALA 68 N 1.42 1.00 -0.69 3.86 0.00 -0.76 -0.25 119.26 123.83 1oni h ALA 68 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.28 1oni h ALA 68 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1oni h ALA 68 CO -0.10 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.15 1oni n ALA 69 N -1.98 2.46 -1.36 0.00 0.00 -0.34 -4.93 120.51 114.36 1oni n ALA 69 Ca -0.00 -1.34 -0.01 0.00 0.00 0.00 0.00 53.44 52.09 1oni n ALA 69 Cb 0.19 -0.89 -0.00 0.00 0.00 0.00 0.00 19.45 18.75 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 1.48 0.42 3.64 0.00 0.00 -0.11 -5.01 105.19 105.61 1oni n GLY 70 Ca 0.24 -0.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.19 -0.21 0.31 0.00 5.68 -1.26 -2.64 116.55 117.24 1oni n ASP 72 Ca -0.12 -1.63 0.18 0.00 -0.50 0.00 0.00 54.79 52.72 1oni n ASP 72 Cb 0.66 0.50 0.99 0.00 -1.14 0.00 0.00 41.12 42.13 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 1.31 0.00 0.00 2.11 0.04 -1.93 -1.65 116.94 116.82 1oni h PHE 73 Ca -0.07 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.70 1oni h PHE 73 Cb 0.35 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.49 1oni h PHE 73 CO 0.00 0.02 -0.02 1.79 -0.60 0.00 0.00 178.31 179.50 1oni h THR 74 N 0.00 0.07 0.00 -1.55 1.35 -1.96 -2.61 112.91 108.21 1oni h THR 74 Ca -0.00 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 1oni h THR 74 Cb 0.10 1.41 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 1oni h THR 74 CO 0.00 0.02 0.00 0.59 -0.25 0.00 0.00 175.52 175.88 1oni n ASN 75 N -3.14 0.00 -4.72 5.36 3.02 -0.62 -4.85 115.26 110.31 1oni n ASN 75 Ca -0.00 0.47 -0.42 0.00 -0.03 0.00 0.00 54.58 54.60 1oni n ASN 75 Cb 0.26 -0.49 -0.04 0.00 -0.61 0.00 0.00 39.78 38.90 1oni n ASN 75 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1oni s VAL 76 N -2.98 4.24 -0.09 2.41 1.01 -0.99 -0.78 120.40 123.22 1oni s VAL 76 Ca 0.13 1.74 0.06 0.00 0.00 0.00 0.00 61.98 63.91 1oni s VAL 76 Cb 0.17 -4.11 -0.08 0.00 0.00 0.00 0.00 36.38 32.35 1oni s VAL 76 CO 0.46 0.21 0.17 1.33 0.00 0.00 0.00 175.10 177.27 1oni n VAL 77 N 3.24 0.00 -3.69 2.92 0.24 -0.04 -4.37 118.33 116.63 1oni n VAL 77 Ca 0.05 -0.21 -0.14 0.00 -2.04 0.00 0.00 64.34 62.01 1oni n VAL 77 Cb 0.48 0.57 -0.09 0.00 -1.47 0.00 0.00 33.84 33.33 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 -2.13 0.65 0.13 7.34 2.47 -1.10 -1.01 119.74 126.09 1oni s LYS 78 Ca -0.01 0.68 0.03 0.00 -1.56 0.00 0.00 55.97 55.12 1oni s LYS 78 Cb 0.04 0.32 -0.04 0.00 -1.46 0.00 0.00 37.83 36.68 1oni s LYS 78 CO 0.24 -0.09 -0.08 0.95 0.16 0.00 0.00 175.35 176.53 1oni s THR 79 N 0.14 0.96 -0.09 3.43 -4.23 -0.51 -0.84 115.64 114.50 1oni s THR 79 Ca -0.01 -2.01 0.01 0.00 -1.18 0.00 0.00 61.69 58.50 1oni s THR 79 Cb -0.04 -1.79 0.02 0.00 1.34 0.00 0.00 72.50 72.03 1oni s THR 79 CO 0.01 -0.79 -0.11 -0.89 -0.54 0.00 0.00 174.62 172.30 1oni s THR 80 N -3.46 1.15 -0.32 3.99 2.01 -0.48 -2.10 115.64 116.43 1oni s THR 80 Ca 0.15 -0.43 -0.08 0.00 0.31 0.00 0.00 61.69 61.63 1oni s THR 80 Cb 0.04 -1.09 0.01 0.00 0.01 0.00 0.00 72.50 71.47 1oni s THR 80 CO -0.02 0.37 0.12 -0.69 -0.69 0.00 0.00 174.62 173.72 1oni s VAL 81 N 1.11 4.21 -0.26 3.82 1.01 0.06 -2.04 120.40 128.31 1oni s VAL 81 Ca -0.06 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.12 1oni s VAL 81 Cb -0.14 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 1oni s VAL 81 CO -0.02 -0.02 0.10 -0.76 0.00 0.00 0.00 175.10 174.40 1oni s LEU 82 N 1.52 3.60 0.03 3.92 1.43 -0.30 -2.21 118.68 126.68 1oni s LEU 82 Ca 0.02 -0.15 0.05 0.00 -1.03 0.00 0.00 54.13 53.02 1oni s LEU 82 Cb -0.18 -1.98 -0.03 0.00 0.03 0.00 0.00 46.19 44.03 1oni s LEU 82 CO 0.04 -0.03 -0.09 -0.76 0.23 0.00 0.00 176.35 175.74 1oni s LEU 83 N 1.62 3.05 0.39 1.79 1.43 -0.21 -1.44 118.68 125.32 1oni s LEU 83 Ca 0.06 -0.25 0.21 0.00 -1.03 0.00 0.00 54.13 53.13 1oni s LEU 83 Cb -0.15 -1.78 0.32 0.00 0.03 0.00 0.00 46.19 44.60 1oni s LEU 83 CO 0.06 0.25 1.58 0.00 0.23 0.00 0.00 176.35 178.47 1oni h ALA 84 N 4.30 0.89 -2.65 4.21 0.00 -1.62 0.75 119.26 125.14 1oni h ALA 84 Ca -0.48 -0.16 -0.25 0.00 0.00 0.00 0.00 54.91 54.02 1oni h ALA 84 Cb 1.16 -0.03 -0.34 0.00 0.00 0.00 0.00 17.79 18.59 1oni h ALA 84 CO 0.53 0.22 -0.57 0.34 0.00 0.00 0.00 179.25 179.77 1oni s ASP 85 N -6.27 0.74 0.53 0.00 -1.08 -1.26 -4.75 116.67 104.57 1oni s ASP 85 Ca 0.05 0.24 0.24 0.00 -0.52 0.00 0.00 52.55 52.57 1oni s ASP 85 Cb 0.06 0.60 1.38 0.00 -1.46 0.00 0.00 42.92 43.50 1oni s ASP 85 CO 0.69 -0.28 2.01 -0.29 0.52 0.00 0.00 175.17 177.81 1oni h ILE 86 N 6.29 0.76 0.00 4.11 6.09 -1.92 0.24 117.51 133.08 1oni h ILE 86 Ca -0.16 -0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.33 1oni h ILE 86 Cb 1.13 0.74 0.00 0.00 0.47 0.00 0.00 36.82 39.16 1oni h ILE 86 CO 0.20 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.88 1oni n ASN 87 N -4.39 0.00 -0.06 2.19 3.02 -1.26 -1.63 115.26 113.13 1oni n ASN 87 Ca 0.09 0.43 0.15 0.00 -0.03 0.00 0.00 54.58 55.22 1oni n ASN 87 Cb 0.57 -0.47 0.77 0.00 -0.61 0.00 0.00 39.78 40.04 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 -1.47 0.20 -0.11 6.41 8.00 0.07 -4.38 116.55 125.28 1oni n ASP 88 Ca 0.04 -0.62 -0.05 0.00 0.71 0.00 0.00 54.79 54.88 1oni n ASP 88 Cb 0.18 -0.12 0.01 0.00 -0.02 0.00 0.00 41.12 41.17 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 0.28 -0.19 -0.68 1.24 3.04 -1.47 -1.07 116.94 118.08 1oni h PHE 89 Ca 0.00 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.98 1oni h PHE 89 Cb 0.22 0.14 -0.03 0.00 2.56 0.00 0.00 35.95 38.84 1oni h PHE 89 CO 0.00 -0.16 0.40 -0.91 -2.02 0.00 0.00 178.31 175.62 1oni h ASN 90 N 0.01 0.83 -0.63 0.41 2.35 -1.85 0.26 115.58 116.96 1oni h ASN 90 Ca 0.18 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.86 1oni h ASN 90 Cb 0.28 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 1oni h ASN 90 CO -0.39 0.66 0.39 0.74 -1.65 0.00 0.00 177.43 177.18 1oni h THR 91 N 0.93 1.18 -0.31 2.81 2.02 -1.71 -1.81 112.91 116.02 1oni h THR 91 Ca 0.24 -0.38 -0.16 0.00 0.77 0.00 0.00 66.41 66.88 1oni h THR 91 Cb -0.01 0.30 -0.00 0.00 -1.74 0.00 0.00 68.15 66.70 1oni h THR 91 CO -0.04 0.18 -0.46 0.58 0.37 0.00 0.00 175.52 176.15 1oni h VAL 92 N 0.85 1.28 -0.92 3.16 2.07 -0.48 -3.02 116.25 119.20 1oni h VAL 92 Ca 0.23 -1.64 -0.01 0.00 0.82 0.00 0.00 66.70 66.09 1oni h VAL 92 Cb -0.04 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 1oni h VAL 92 CO -0.04 0.54 0.52 -1.13 0.02 0.00 0.00 177.57 177.47 1oni h ASN 93 N 0.66 1.13 -0.28 0.57 -1.24 -0.25 0.64 115.58 116.80 1oni h ASN 93 Ca 0.04 -0.09 -0.07 0.00 0.71 0.00 0.00 56.30 56.89 1oni h ASN 93 Cb 1.04 -0.29 -0.02 0.00 0.73 0.00 0.00 38.32 39.78 1oni h ASN 93 CO 0.10 0.89 -0.03 -0.33 -1.29 0.00 0.00 177.43 176.77 1oni h GLU 94 N 1.28 0.64 -0.16 6.67 4.39 -1.26 -1.68 114.58 124.46 1oni h GLU 94 Ca 0.32 -0.17 -0.14 0.00 0.34 0.00 0.00 59.36 59.72 1oni h GLU 94 Cb 0.00 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.58 1oni h GLU 94 CO -0.05 0.69 -0.46 0.82 -1.16 0.00 0.00 179.01 178.85 1oni h ILE 95 N 0.60 1.34 -0.96 3.13 2.04 -1.32 -3.17 117.51 119.18 1oni h ILE 95 Ca 0.12 -1.72 0.15 0.00 1.00 0.00 0.00 64.86 64.41 1oni h ILE 95 Cb 0.43 2.01 -0.08 0.00 -0.74 0.00 0.00 36.82 38.43 1oni h ILE 95 CO 0.02 0.53 0.61 0.22 0.00 0.00 0.00 178.15 179.52 1oni h TYR 96 N 0.23 0.97 0.00 1.37 3.20 -0.59 -0.37 116.97 121.79 1oni h TYR 96 Ca -0.01 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1oni h TYR 96 Cb 1.08 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 39.04 1oni h TYR 96 CO 0.10 0.32 0.00 1.63 -1.64 0.00 0.00 178.16 178.57 1oni n LYS 97 N -4.63 0.16 0.22 1.82 5.02 -0.66 -1.64 118.16 118.45 1oni n LYS 97 Ca 0.20 0.42 0.15 0.00 -2.02 0.00 0.00 58.31 57.05 1oni n LYS 97 Cb 0.48 -1.82 0.49 0.00 -0.02 0.00 0.00 35.03 34.16 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 -3.36 115.11 116.81 1oni h GLN 98 Ca 0.00 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.54 1oni h GLN 98 Cb 0.30 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.05 1oni h GLN 98 CO 0.00 0.00 -1.64 0.66 -0.67 0.00 0.00 178.83 177.18 1oni n TYR 99 N -2.88 0.00 -3.87 2.96 4.01 -0.65 -4.94 117.16 111.79 1oni n TYR 99 Ca 0.02 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.41 1oni n TYR 99 Cb 0.37 -0.45 -0.14 0.00 -0.31 0.00 0.00 39.34 38.81 1oni n TYR 99 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 1oni s PHE 100 N -2.23 2.99 -0.01 -0.72 0.08 -0.80 -4.83 117.98 112.47 1oni s PHE 100 Ca -0.09 -0.79 0.07 0.00 0.12 0.00 0.00 56.93 56.25 1oni s PHE 100 Cb 0.03 -2.14 -0.11 0.00 -0.57 0.00 0.00 43.02 40.23 1oni s PHE 100 CO 0.34 -0.49 0.15 1.63 -0.10 0.00 0.00 175.22 176.75 1oni n LYS 101 N 4.82 0.42 -3.71 0.44 4.76 -1.26 -4.54 118.16 119.09 1oni n LYS 101 Ca -0.18 -0.06 -0.01 0.00 -2.87 0.00 0.00 58.31 55.19 1oni n LYS 101 Cb 0.51 -1.17 -0.01 0.00 -1.84 0.00 0.00 35.03 32.52 1oni n LYS 101 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1oni s SER 102 N -2.91 -0.11 -1.35 4.39 1.04 -1.26 -4.99 113.70 108.52 1oni s SER 102 Ca -0.03 -0.30 -0.06 0.00 0.48 0.00 0.00 55.95 56.04 1oni s SER 102 Cb 0.04 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.51 1oni s SER 102 CO 0.30 -0.64 0.49 0.59 0.98 0.00 0.00 173.24 174.96 1oni n ASN 103 N -0.53 -1.46 -4.76 7.02 5.03 -1.26 -4.80 115.26 114.50 1oni n ASN 103 Ca -0.07 -1.04 -0.37 0.00 0.87 0.00 0.00 54.58 53.97 1oni n ASN 103 Cb 0.61 -2.97 0.02 0.00 -1.02 0.00 0.00 39.78 36.42 1oni n ASN 103 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 1oni s PHE 104 N -3.86 2.57 0.74 3.10 0.08 -1.26 -4.98 117.98 114.37 1oni s PHE 104 Ca 0.12 1.48 -0.15 0.00 0.12 0.00 0.00 56.93 58.51 1oni s PHE 104 Cb -0.05 -3.52 0.04 0.00 -0.57 0.00 0.00 43.02 38.92 1oni s PHE 104 CO 0.89 -2.09 1.20 -2.14 -0.10 0.00 0.00 175.22 172.98 1oni s PRO 105 N -2.94 2.11 0.76 0.24 0.02 -1.26 -5.00 135.00 128.93 1oni s PRO 105 Ca 0.70 1.73 -0.12 0.00 0.02 0.00 0.00 61.00 63.32 1oni s PRO 105 Cb -0.32 -1.83 0.06 0.00 0.02 0.00 0.00 34.50 32.42 1oni s PRO 105 CO 0.38 -1.85 1.12 0.00 -0.33 0.00 0.00 177.00 176.32 1oni s ALA 106 N -2.04 2.16 -0.03 -1.55 0.00 -0.18 -4.87 121.76 115.25 1oni s ALA 106 Ca 0.73 0.46 -0.18 0.00 0.00 0.00 0.00 51.96 52.97 1oni s ALA 106 Cb -0.28 -3.34 0.03 0.00 0.00 0.00 0.00 23.12 19.53 1oni s ALA 106 CO 0.46 -1.83 0.39 0.50 0.00 0.00 0.00 175.76 175.29 1oni s ARG 107 N -4.55 0.74 0.01 0.00 3.52 -1.26 -1.43 118.95 115.99 1oni s ARG 107 Ca 0.65 -0.05 0.05 0.00 -0.13 0.00 0.00 55.73 56.26 1oni s ARG 107 Cb -0.20 0.34 -0.02 0.00 -1.56 0.00 0.00 34.95 33.51 1oni s ARG 107 CO 0.51 -0.21 -0.17 0.00 -0.81 0.00 0.00 175.30 174.63 1oni s ALA 108 N -1.20 1.40 -0.05 6.12 0.00 -0.89 -4.99 121.76 122.15 1oni s ALA 108 Ca -0.12 -0.81 -0.05 0.00 0.00 0.00 0.00 51.96 50.98 1oni s ALA 108 Cb -0.04 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.78 1oni s ALA 108 CO 0.05 0.32 0.14 0.00 0.00 0.00 0.00 175.76 176.27 1oni s ALA 109 N -0.58 -0.34 0.05 0.00 0.00 -1.26 -0.76 121.76 118.87 1oni s ALA 109 Ca 0.05 0.36 -0.28 0.00 0.00 0.00 0.00 51.96 52.10 1oni s ALA 109 Cb -0.07 -0.21 0.09 0.00 0.00 0.00 0.00 23.12 22.93 1oni s ALA 109 CO 0.00 -0.07 1.04 1.52 0.00 0.00 0.00 175.76 178.25 1oni s TYR 110 N 0.01 -0.16 -0.14 0.00 1.13 -0.94 -5.00 117.35 112.25 1oni s TYR 110 Ca -0.01 -0.04 -0.14 0.00 -1.41 0.00 0.00 57.07 55.47 1oni s TYR 110 Cb -0.01 0.58 -0.05 0.00 -1.10 0.00 0.00 41.96 41.39 1oni s TYR 110 CO 0.00 -0.59 0.31 -1.14 -2.51 0.00 0.00 175.55 171.63 1oni s GLN 111 N -2.98 4.20 0.50 -3.49 0.74 -1.26 -1.04 119.66 116.32 1oni s GLN 111 Ca 0.11 0.15 0.07 0.00 0.05 0.00 0.00 55.36 55.74 1oni s GLN 111 Cb 0.00 -3.40 0.02 0.00 1.10 0.00 0.00 33.01 30.73 1oni s GLN 111 CO -0.02 0.29 0.47 0.14 -0.55 0.00 0.00 175.29 175.61 1oni s VAL 112 N 0.30 2.17 0.10 1.34 -7.23 0.26 -4.90 120.40 112.44 1oni s VAL 112 Ca 0.18 -1.34 -0.10 0.00 -1.81 0.00 0.00 61.98 58.91 1oni s VAL 112 Cb -0.13 -2.51 -0.21 0.00 0.56 0.00 0.00 36.38 34.09 1oni s VAL 112 CO 0.05 0.00 1.24 0.00 -0.31 0.00 0.00 175.10 176.08 1oni h ALA 113 N 0.76 0.23 -1.83 1.32 0.00 -1.92 -3.43 119.26 114.40 1oni h ALA 113 Ca -0.37 -0.70 -0.00 0.00 0.00 0.00 0.00 54.91 53.83 1oni h ALA 113 Cb 1.28 0.02 -0.21 0.00 0.00 0.00 0.00 17.79 18.89 1oni h ALA 113 CO 0.54 0.74 0.33 0.00 0.00 0.00 0.00 179.25 180.86 1oni s ALA 114 N -3.32 -1.84 0.29 0.00 0.00 -1.26 -5.04 121.76 110.59 1oni s ALA 114 Ca -0.08 1.47 0.11 0.00 0.00 0.00 0.00 51.96 53.47 1oni s ALA 114 Cb 0.08 -0.37 -0.05 0.00 0.00 0.00 0.00 23.12 22.77 1oni s ALA 114 CO 0.90 -0.34 -0.16 -0.51 0.00 0.00 0.00 175.76 175.64 1oni s LEU 115 N -1.03 2.68 0.43 0.00 1.43 -1.26 -5.08 118.68 115.85 1oni s LEU 115 Ca -0.07 -1.00 -0.26 0.00 -1.03 0.00 0.00 54.13 51.78 1oni s LEU 115 Cb -0.01 -1.17 -0.09 0.00 0.03 0.00 0.00 46.19 44.95 1oni s LEU 115 CO 0.06 0.01 1.32 -2.65 0.23 0.00 0.00 176.35 175.32 1oni n PRO 116 N -0.67 2.04 -1.97 1.29 -0.02 -1.26 -2.74 135.00 131.66 1oni n PRO 116 Ca -0.05 0.73 -0.19 0.00 -2.02 0.00 0.00 63.50 61.96 1oni n PRO 116 Cb 0.60 -2.46 -0.05 0.00 -0.02 0.00 0.00 33.50 31.58 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 0.00 -1.60 -1.07 -0.52 4.76 -1.26 -2.06 118.16 116.41 1oni n LYS 117 Ca 0.06 1.03 -0.02 0.00 -2.87 0.00 0.00 58.31 56.51 1oni n LYS 117 Cb 0.40 -5.53 -0.01 0.00 -1.84 0.00 0.00 35.03 28.05 1oni n LYS 117 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1oni n GLY 118 N -0.66 0.54 3.63 0.72 0.00 -1.11 -4.99 105.19 103.32 1oni n GLY 118 Ca -0.21 -0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 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 0.15 0.63 -0.00 1.61 7.64 -0.87 -4.94 113.62 117.83 1oni n SER 119 Ca -0.02 0.66 0.10 0.00 1.01 0.00 0.00 58.87 60.62 1oni n SER 119 Cb 0.18 -1.43 -0.10 0.00 -1.01 0.00 0.00 64.21 61.85 1oni n SER 119 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1oni n ARG 120 N -2.10 0.06 -3.62 1.43 5.12 -1.26 -4.42 116.66 111.87 1oni n ARG 120 Ca 0.13 -0.02 -0.15 0.00 -1.93 0.00 0.00 57.85 55.88 1oni n ARG 120 Cb 0.50 -1.50 -0.07 0.00 -1.16 0.00 0.00 32.46 30.22 1oni n ARG 120 CO 0.00 0.00 0.00 -1.50 -1.93 0.00 0.00 177.63 174.20 1oni s ILE 121 N -3.05 0.01 -0.02 0.55 2.07 -1.26 -1.79 121.20 117.71 1oni s ILE 121 Ca 0.07 -0.09 0.01 0.00 -1.41 0.00 0.00 60.65 59.23 1oni s ILE 121 Cb 0.16 -0.87 0.01 0.00 0.13 0.00 0.00 42.46 41.89 1oni s ILE 121 CO 0.86 -0.05 -0.03 -0.70 -1.91 0.00 0.00 174.94 173.11 1oni s GLU 122 N -0.63 0.43 -0.10 3.50 2.12 -0.52 -4.41 118.70 119.10 1oni s GLU 122 Ca -0.07 -0.07 0.01 0.00 0.36 0.00 0.00 54.97 55.20 1oni s GLU 122 Cb -0.03 -0.49 0.02 0.00 0.26 0.00 0.00 34.13 33.89 1oni s GLU 122 CO 0.05 -0.02 -0.10 0.42 -0.54 0.00 0.00 175.26 175.08 1oni s ILE 123 N 0.49 1.10 0.34 -3.70 1.01 -0.12 -1.15 121.20 119.17 1oni s ILE 123 Ca -0.05 -0.38 0.08 0.00 0.00 0.00 0.00 60.65 60.30 1oni s ILE 123 Cb -0.09 -1.07 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 1oni s ILE 123 CO -0.01 0.37 0.14 -1.83 0.00 0.00 0.00 174.94 173.62 1oni s GLU 124 N 1.30 2.38 0.17 2.79 -1.05 -0.87 -0.57 118.70 122.86 1oni s GLU 124 Ca -0.02 -1.54 -0.20 0.00 -0.15 0.00 0.00 54.97 53.06 1oni s GLU 124 Cb -0.14 -2.18 0.05 0.00 -0.44 0.00 0.00 34.13 31.42 1oni s GLU 124 CO -0.04 0.12 0.56 0.00 0.95 0.00 0.00 175.26 176.85 1oni s ALA 125 N -2.42 -1.29 -0.05 -0.84 0.00 -1.20 -1.38 121.76 114.59 1oni s ALA 125 Ca 0.38 0.15 0.05 0.00 0.00 0.00 0.00 51.96 52.53 1oni s ALA 125 Cb -0.03 0.84 -0.01 0.00 0.00 0.00 0.00 23.12 23.93 1oni s ALA 125 CO 0.23 -0.78 -0.20 0.08 0.00 0.00 0.00 175.76 175.08 1oni s VAL 126 N -3.81 1.67 0.10 0.00 1.01 -0.02 -0.87 120.40 118.48 1oni s VAL 126 Ca 0.04 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.20 1oni s VAL 126 Cb -0.01 -1.43 -0.04 0.00 0.00 0.00 0.00 36.38 34.90 1oni s VAL 126 CO -0.08 0.47 -0.08 0.00 0.00 0.00 0.00 175.10 175.41 1oni s ALA 127 N -0.02 1.06 -0.07 5.51 0.00 -0.16 -0.86 121.76 127.22 1oni s ALA 127 Ca -0.04 -1.30 0.04 0.00 0.00 0.00 0.00 51.96 50.65 1oni s ALA 127 Cb -0.13 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.10 1oni s ALA 127 CO 0.03 -0.16 -0.19 0.42 0.00 0.00 0.00 175.76 175.87 1oni s ILE 128 N -3.18 1.61 0.11 0.00 -1.09 0.04 -0.89 121.20 117.80 1oni s ILE 128 Ca 0.10 -0.77 -0.31 0.00 -2.23 0.00 0.00 60.65 57.43 1oni s ILE 128 Cb 0.02 -1.41 -0.09 0.00 -1.58 0.00 0.00 42.46 39.40 1oni s ILE 128 CO -0.02 0.46 1.64 -1.58 -1.23 0.00 0.00 174.94 174.21 1oni s GLN 129 N 0.37 4.20 0.24 2.79 0.74 -0.33 -4.75 119.66 122.91 1oni s GLN 129 Ca -0.14 2.38 -0.04 0.00 0.05 0.00 0.00 55.36 57.61 1oni s GLN 129 Cb -0.16 -3.42 0.06 0.00 1.10 0.00 0.00 33.01 30.59 1oni s GLN 129 CO 0.05 -0.70 0.29 0.41 -0.55 0.00 0.00 175.29 174.80 1oni n GLY 130 N 3.93 -1.53 3.77 2.59 0.00 -1.26 -4.75 105.19 107.94 1oni n GLY 130 Ca 0.15 -1.63 -0.39 0.00 0.00 0.00 0.00 46.02 44.16 1oni n GLY 130 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1oni s PRO 131 N -3.65 4.52 -0.14 1.61 0.02 -1.26 -5.16 135.00 130.94 1oni s PRO 131 Ca 0.17 1.66 -0.02 0.00 0.02 0.00 0.00 61.00 62.83 1oni s PRO 131 Cb -0.01 -2.99 -0.02 0.00 0.02 0.00 0.00 34.50 31.50 1oni s PRO 131 CO 0.12 0.14 -0.08 -0.51 -0.33 0.00 0.00 177.00 176.34 1oni s LEU 132 N -1.80 3.00 0.32 -5.54 1.43 -1.26 -5.12 118.68 109.71 1oni s LEU 132 Ca 0.48 -0.22 0.03 0.00 -1.03 0.00 0.00 54.13 53.39 1oni s LEU 132 Cb -0.28 -1.70 -0.06 0.00 0.03 0.00 0.00 46.19 44.18 1oni s LEU 132 CO 0.35 0.17 0.07 0.28 0.23 0.00 0.00 176.35 177.45 1oni s THR 133 N 0.36 1.03 -0.06 5.49 -1.32 -1.26 -5.06 115.64 114.83 1oni s THR 133 Ca -0.07 -2.00 0.13 0.00 -1.21 0.00 0.00 61.69 58.54 1oni s THR 133 Cb -0.15 -2.73 -0.23 0.00 -1.51 0.00 0.00 72.50 67.88 1oni s THR 133 CO 0.04 0.00 0.60 0.41 -2.21 0.00 0.00 174.62 173.46 1oni n THR 134 N -0.67 1.59 1.15 5.08 -1.04 -1.26 -5.28 114.28 113.85 1oni n THR 134 Ca -0.02 -0.80 0.13 0.00 -2.04 0.00 0.00 64.05 61.31 1oni n THR 134 Cb 0.66 -0.98 0.23 0.00 -1.82 0.00 0.00 70.33 68.43 1oni n THR 134 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43