#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 1.91 -4.42 4.04 7.64 -1.26 -5.04 113.62 116.49 1oni n SER 3 Ca 0.00 0.88 -0.31 0.00 1.01 0.00 0.00 58.87 60.44 1oni n SER 3 Cb 0.00 -1.51 -0.14 0.00 -1.01 0.00 0.00 64.21 61.55 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 -3.35 2.50 -0.20 -3.43 1.43 -1.26 -5.10 118.68 109.27 1oni s LEU 4 Ca 0.77 -0.40 -0.23 0.00 -1.03 0.00 0.00 54.13 53.24 1oni s LEU 4 Cb -0.41 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 1oni s LEU 4 CO 0.45 0.29 0.72 -0.63 0.23 0.00 0.00 176.35 177.41 1oni s ILE 5 N -0.82 4.94 -0.16 -0.59 -1.09 -1.26 -4.96 121.20 117.26 1oni s ILE 5 Ca 0.13 1.38 -0.05 0.00 -2.23 0.00 0.00 60.65 59.88 1oni s ILE 5 Cb -0.10 -4.03 -0.03 0.00 -1.58 0.00 0.00 42.46 36.71 1oni s ILE 5 CO 0.03 0.05 0.00 -0.60 -1.23 0.00 0.00 174.94 173.19 1oni s ARG 6 N 2.20 3.72 -0.05 2.79 3.52 -1.26 -2.84 118.95 127.03 1oni s ARG 6 Ca 0.32 -0.44 0.05 0.00 -0.13 0.00 0.00 55.73 55.53 1oni s ARG 6 Cb -0.16 -3.02 -0.00 0.00 -1.56 0.00 0.00 34.95 30.21 1oni s ARG 6 CO 0.10 0.31 -0.20 0.50 -0.81 0.00 0.00 175.30 175.20 1oni s ARG 7 N 0.22 2.11 -0.20 5.12 3.52 0.72 -4.99 118.95 125.45 1oni s ARG 7 Ca 0.00 -0.71 -0.14 0.00 -0.13 0.00 0.00 55.73 54.76 1oni s ARG 7 Cb -0.13 -1.78 -0.04 0.00 -1.56 0.00 0.00 34.95 31.43 1oni s ARG 7 CO 0.02 0.26 0.30 0.08 -0.81 0.00 0.00 175.30 175.15 1oni s VAL 8 N 0.05 5.28 -0.05 7.11 1.01 -1.26 -0.47 120.40 132.06 1oni s VAL 8 Ca -0.06 0.51 -0.24 0.00 0.00 0.00 0.00 61.98 62.19 1oni s VAL 8 Cb -0.13 -3.63 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1oni s VAL 8 CO 0.03 0.32 0.73 -0.63 0.00 0.00 0.00 175.10 175.55 1oni s ILE 9 N 0.96 5.01 -0.34 2.22 1.09 -0.05 -5.01 121.20 125.08 1oni s ILE 9 Ca 0.15 1.51 0.02 0.00 -1.10 0.00 0.00 60.65 61.23 1oni s ILE 9 Cb -0.14 -4.07 0.15 0.00 -1.06 0.00 0.00 42.46 37.34 1oni s ILE 9 CO 0.05 0.25 0.35 -0.55 -0.10 0.00 0.00 174.94 174.95 1oni s SER 10 N 0.76 1.26 0.01 3.58 0.15 -1.26 -3.57 113.70 114.63 1oni s SER 10 Ca 0.39 -1.19 0.08 0.00 0.70 0.00 0.00 55.95 55.92 1oni s SER 10 Cb -0.18 0.59 -0.03 0.00 -1.71 0.00 0.00 66.02 64.70 1oni s SER 10 CO 0.19 -0.31 -0.24 0.28 1.20 0.00 0.00 173.24 174.37 1oni s THR 11 N 1.85 2.32 -0.71 6.45 -1.32 -1.26 -5.01 115.64 117.95 1oni s THR 11 Ca 0.14 -1.19 0.26 0.00 -1.21 0.00 0.00 61.69 59.68 1oni s THR 11 Cb -0.14 -1.88 0.28 0.00 -1.51 0.00 0.00 72.50 69.24 1oni s THR 11 CO -0.16 0.46 1.77 0.00 -2.21 0.00 0.00 174.62 174.48 1oni n ALA 12 N 2.02 2.20 1.44 11.08 0.00 -1.26 -3.06 120.51 132.93 1oni n ALA 12 Ca -0.16 -0.01 0.14 0.00 0.00 0.00 0.00 53.44 53.40 1oni n ALA 12 Cb 0.52 -1.46 0.74 0.00 0.00 0.00 0.00 19.45 19.25 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 -2.23 0.53 -4.36 0.00 5.02 -1.26 -4.72 118.16 111.15 1oni n LYS 13 Ca 0.05 0.02 -0.19 0.00 -2.02 0.00 0.00 58.31 56.17 1oni n LYS 13 Cb 0.40 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.81 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 -2.41 2.06 0.19 7.82 0.00 -1.17 -4.85 121.76 123.40 1oni s ALA 14 Ca 0.31 -1.70 -0.33 0.00 0.00 0.00 0.00 51.96 50.24 1oni s ALA 14 Cb 0.19 -0.04 -0.13 0.00 0.00 0.00 0.00 23.12 23.14 1oni s ALA 14 CO 0.40 0.04 1.63 -2.30 0.00 0.00 0.00 175.76 175.53 1oni n PRO 15 N -0.41 2.42 -2.17 0.00 -0.02 -1.26 -4.86 135.00 128.70 1oni n PRO 15 Ca -0.08 0.87 -0.38 0.00 -2.02 0.00 0.00 63.50 61.90 1oni n PRO 15 Cb 0.61 -2.67 -0.01 0.00 -0.02 0.00 0.00 33.50 31.41 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 0.95 2.85 0.48 -1.23 0.00 -1.26 -4.96 107.32 104.15 1oni s GLY 16 Ca 0.76 1.05 -0.24 0.00 0.00 0.00 0.00 44.72 46.29 1oni s GLY 16 CO 0.37 1.56 1.35 0.00 0.00 0.00 0.00 173.10 176.38 1oni s ALA 17 N -1.41 3.05 -0.12 3.20 0.00 -1.26 -4.90 121.76 120.32 1oni s ALA 17 Ca 0.61 1.31 0.16 0.00 0.00 0.00 0.00 51.96 54.04 1oni s ALA 17 Cb -0.33 -3.54 0.37 0.00 0.00 0.00 0.00 23.12 19.62 1oni s ALA 17 CO 0.40 -1.14 1.18 0.44 0.00 0.00 0.00 175.76 176.64 1oni n ILE 18 N -0.49 1.29 -3.46 0.00 -5.35 -1.26 -5.06 119.36 105.03 1oni n ILE 18 Ca 0.07 -2.14 -0.04 0.00 -0.27 0.00 0.00 62.75 60.37 1oni n ILE 18 Cb 0.44 0.21 0.00 0.00 -1.74 0.00 0.00 39.64 38.55 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 -0.56 1.94 2.36 3.28 0.00 -1.26 -5.04 105.19 105.91 1oni n GLY 19 Ca 0.13 -1.23 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.22 2.87 -3.92 1.61 -0.04 -1.26 -4.78 135.00 129.26 1oni n PRO 20 Ca -0.02 -1.74 -0.09 0.00 -0.04 0.00 0.00 63.50 61.60 1oni n PRO 20 Cb 0.24 -2.54 -0.07 0.00 -0.04 0.00 0.00 33.50 31.08 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 2.39 0.30 0.21 0.54 1.13 -1.26 -5.17 117.35 115.49 1oni s TYR 21 Ca 0.59 -0.71 0.08 0.00 -1.41 0.00 0.00 57.07 55.62 1oni s TYR 21 Cb 0.17 -0.11 -0.04 0.00 -1.10 0.00 0.00 41.96 40.89 1oni s TYR 21 CO -0.04 -0.59 -0.03 -1.12 -2.51 0.00 0.00 175.55 171.26 1oni s SER 22 N -2.91 4.55 0.19 -0.18 0.01 -1.26 -4.83 113.70 109.27 1oni s SER 22 Ca 0.10 -0.53 -0.12 0.00 1.31 0.00 0.00 55.95 56.72 1oni s SER 22 Cb 0.05 -0.88 0.21 0.00 0.21 0.00 0.00 66.02 65.60 1oni s SER 22 CO -0.06 0.06 1.75 1.56 0.41 0.00 0.00 173.24 176.96 1oni h GLN 23 N 2.49 0.37 -2.78 12.44 4.20 -1.94 -3.41 115.11 126.47 1oni h GLN 23 Ca -0.46 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.19 1oni h GLN 23 Cb 1.22 -0.08 -0.15 0.00 0.30 0.00 0.00 27.48 28.77 1oni h GLN 23 CO 0.58 0.24 0.13 0.00 -0.67 0.00 0.00 178.83 179.11 1oni s ALA 24 N -6.12 -1.50 -0.09 3.87 0.00 -1.25 -0.91 121.76 115.77 1oni s ALA 24 Ca -0.13 0.63 0.00 0.00 0.00 0.00 0.00 51.96 52.46 1oni s ALA 24 Cb 0.15 0.56 0.02 0.00 0.00 0.00 0.00 23.12 23.86 1oni s ALA 24 CO 0.73 -0.61 -0.08 0.08 0.00 0.00 0.00 175.76 175.88 1oni s VAL 25 N -2.91 0.98 -0.20 0.00 1.01 -0.62 -0.87 120.40 117.79 1oni s VAL 25 Ca -0.03 -0.30 -0.09 0.00 0.00 0.00 0.00 61.98 61.55 1oni s VAL 25 Cb -0.00 -0.98 -0.05 0.00 0.00 0.00 0.00 36.38 35.35 1oni s VAL 25 CO -0.05 0.35 0.11 -0.22 0.00 0.00 0.00 175.10 175.29 1oni s LEU 26 N 1.37 4.07 -0.04 3.92 2.96 0.39 -0.94 118.68 130.40 1oni s LEU 26 Ca -0.02 0.16 -0.01 0.00 -0.22 0.00 0.00 54.13 54.05 1oni s LEU 26 Cb -0.14 -2.05 0.03 0.00 0.50 0.00 0.00 46.19 44.53 1oni s LEU 26 CO -0.04 0.16 0.01 -0.69 -1.32 0.00 0.00 176.35 174.47 1oni s VAL 27 N 0.49 0.20 -1.27 1.68 1.01 -0.05 -0.20 120.40 122.25 1oni s VAL 27 Ca 0.07 0.15 -0.25 0.00 0.00 0.00 0.00 61.98 61.94 1oni s VAL 27 Cb -0.12 -0.34 0.03 0.00 0.00 0.00 0.00 36.38 35.95 1oni s VAL 27 CO -0.00 0.19 0.57 -0.67 0.00 0.00 0.00 175.10 175.18 1oni n ASP 28 N 4.64 -3.19 0.00 3.32 2.03 -1.13 -1.28 116.55 120.93 1oni n ASP 28 Ca -0.16 -1.25 0.00 0.00 0.52 0.00 0.00 54.79 53.90 1oni n ASP 28 Cb 0.50 -1.96 0.00 0.00 -0.72 0.00 0.00 41.12 38.94 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 -4.83 0.00 -3.41 -0.67 1.74 -1.26 -4.99 116.66 103.24 1oni n ARG 29 Ca -0.16 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.55 1oni n ARG 29 Cb 0.60 -1.34 -0.07 0.00 -1.02 0.00 0.00 32.46 30.63 1oni n ARG 29 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1oni s THR 30 N -1.16 5.23 -0.25 0.55 2.01 -0.40 -0.10 115.64 121.53 1oni s THR 30 Ca 0.00 0.73 -0.04 0.00 0.31 0.00 0.00 61.69 62.68 1oni s THR 30 Cb 0.00 -3.72 0.00 0.00 0.01 0.00 0.00 72.50 68.79 1oni s THR 30 CO 0.00 0.31 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.60 1oni s ILE 31 N 0.89 3.49 -0.32 1.82 1.01 0.10 -0.87 121.20 127.32 1oni s ILE 31 Ca 0.20 -0.64 -0.14 0.00 0.00 0.00 0.00 60.65 60.08 1oni s ILE 31 Cb -0.14 -2.69 -0.02 0.00 0.01 0.00 0.00 42.46 39.62 1oni s ILE 31 CO 0.07 0.28 0.31 -0.31 0.00 0.00 0.00 174.94 175.29 1oni s TYR 32 N 1.46 3.22 -0.15 3.97 1.51 -0.12 -1.03 117.35 126.22 1oni s TYR 32 Ca 0.04 0.02 -0.07 0.00 -1.01 0.00 0.00 57.07 56.05 1oni s TYR 32 Cb -0.16 -2.57 -0.04 0.00 -0.11 0.00 0.00 41.96 39.09 1oni s TYR 32 CO -0.02 -0.34 0.08 0.42 -1.11 0.00 0.00 175.55 174.59 1oni s ILE 33 N 1.92 5.00 0.91 2.71 1.01 -0.30 -1.59 121.20 130.85 1oni s ILE 33 Ca 0.10 0.03 -0.11 0.00 0.00 0.00 0.00 60.65 60.67 1oni s ILE 33 Cb -0.17 -3.21 0.14 0.00 0.01 0.00 0.00 42.46 39.23 1oni s ILE 33 CO 0.11 0.54 1.11 -0.44 0.00 0.00 0.00 174.94 176.25 1oni s SER 34 N -0.31 3.19 0.02 3.58 0.01 -0.09 -3.31 113.70 116.79 1oni s SER 34 Ca 0.09 1.88 -0.30 0.00 1.31 0.00 0.00 55.95 58.93 1oni s SER 34 Cb -0.12 -2.45 -0.07 0.00 0.21 0.00 0.00 66.02 63.59 1oni s SER 34 CO 0.01 -2.88 1.66 -0.83 0.41 0.00 0.00 173.24 171.62 1oni s GLY 35 N -2.98 1.56 -0.08 3.44 0.00 -1.26 -4.58 107.32 103.42 1oni s GLY 35 Ca 0.65 1.11 -0.07 0.00 0.00 0.00 0.00 44.72 46.41 1oni s GLY 35 CO 0.58 2.96 0.18 1.20 0.00 0.00 0.00 173.10 178.03 1oni s GLN 36 N 3.23 3.49 0.48 2.90 -1.52 0.12 -4.83 119.66 123.53 1oni s GLN 36 Ca 0.74 -0.11 0.04 0.00 -1.95 0.00 0.00 55.36 54.08 1oni s GLN 36 Cb -0.37 -3.17 -0.03 0.00 -0.22 0.00 0.00 33.01 29.22 1oni s GLN 36 CO 0.32 0.74 0.05 0.96 -0.25 0.00 0.00 175.29 177.11 1oni s ILE 37 N -1.11 1.51 -0.12 1.08 -4.36 -1.26 -1.31 121.20 115.64 1oni s ILE 37 Ca 0.19 -1.93 -0.05 0.00 -0.26 0.00 0.00 60.65 58.59 1oni s ILE 37 Cb -0.13 -2.45 -0.16 0.00 1.25 0.00 0.00 42.46 40.98 1oni s ILE 37 CO 0.08 0.00 3.25 0.61 0.24 0.00 0.00 174.94 179.13 1oni n GLY 38 N -1.22 3.31 3.64 6.27 0.00 -1.24 -3.95 105.19 111.99 1oni n GLY 38 Ca -0.13 -1.27 -0.40 0.00 0.00 0.00 0.00 46.02 44.23 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 0.20 4.13 0.14 1.61 0.00 -1.26 -0.95 119.30 123.16 1oni s MET 39 Ca 0.59 0.37 -0.31 0.00 0.00 0.00 0.00 55.69 56.34 1oni s MET 39 Cb 0.31 -3.60 -0.10 0.00 0.00 0.00 0.00 34.83 31.43 1oni s MET 39 CO -0.05 -0.25 1.68 0.34 0.00 0.00 0.00 175.02 176.74 1oni s ASP 40 N 1.33 6.52 0.50 1.11 2.15 -0.10 -4.64 116.67 123.54 1oni s ASP 40 Ca 0.23 2.66 0.20 0.00 0.43 0.00 0.00 52.55 56.07 1oni s ASP 40 Cb -0.15 -2.58 1.29 0.00 -0.30 0.00 0.00 42.92 41.17 1oni s ASP 40 CO 0.09 -0.91 2.08 -0.65 -0.17 0.00 0.00 175.17 175.61 1oni h PRO 41 N 7.63 0.00 0.19 4.34 0.11 -1.89 0.23 132.00 142.61 1oni h PRO 41 Ca -0.43 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.35 1oni h PRO 41 Cb 1.21 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.33 1oni h PRO 41 CO 0.93 0.11 -1.56 0.77 -0.21 0.00 0.00 178.00 178.04 1oni h SER 42 N 0.00 0.62 0.36 -2.05 0.02 -1.90 -3.36 113.55 107.24 1oni h SER 42 Ca -0.00 -0.78 0.00 0.00 -0.84 0.00 0.00 61.79 60.17 1oni h SER 42 Cb 0.22 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1oni h SER 42 CO 0.01 1.63 -1.13 -1.54 -1.14 0.00 0.00 176.83 174.66 1oni n SER 43 N -3.59 0.59 -1.72 3.07 3.41 -1.15 -4.96 113.62 109.27 1oni n SER 43 Ca -0.18 -0.24 -0.19 0.00 -0.26 0.00 0.00 58.87 58.00 1oni n SER 43 Cb 1.07 0.94 -0.07 0.00 -0.26 0.00 0.00 64.21 65.90 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 1.36 1.32 3.49 5.00 0.00 0.80 -4.98 105.19 112.19 1oni n GLY 44 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 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 -3.89 1.79 0.58 1.61 -0.21 -1.25 -4.86 119.66 113.43 1oni s GLN 45 Ca 0.00 -1.31 -0.20 0.00 0.02 0.00 0.00 55.36 53.87 1oni s GLN 45 Cb 0.00 -2.05 -0.04 0.00 1.00 0.00 0.00 33.01 31.93 1oni s GLN 45 CO 0.00 0.44 1.30 -0.51 -2.12 0.00 0.00 175.29 174.40 1oni s LEU 46 N -2.52 3.75 0.79 2.90 1.43 -1.26 -0.93 118.68 122.84 1oni s LEU 46 Ca 0.21 2.63 -0.12 0.00 -1.03 0.00 0.00 54.13 55.82 1oni s LEU 46 Cb -0.09 -4.43 0.06 0.00 0.03 0.00 0.00 46.19 41.76 1oni s LEU 46 CO 0.12 -1.66 1.10 0.68 0.23 0.00 0.00 176.35 176.81 1oni s VAL 47 N -1.40 3.05 -0.14 -1.59 -7.23 -0.13 -4.81 120.40 108.16 1oni s VAL 47 Ca 0.75 0.34 -0.15 0.00 -1.81 0.00 0.00 61.98 61.11 1oni s VAL 47 Cb -0.37 -3.14 -0.05 0.00 0.56 0.00 0.00 36.38 33.39 1oni s VAL 47 CO 0.42 -0.45 0.35 -0.94 -0.31 0.00 0.00 175.10 174.17 1oni s SER 48 N -4.01 6.53 0.00 4.85 1.04 -1.26 -4.61 113.70 116.24 1oni s SER 48 Ca 0.60 0.62 0.00 0.00 0.48 0.00 0.00 55.95 57.66 1oni s SER 48 Cb -0.14 -2.21 0.00 0.00 0.10 0.00 0.00 66.02 63.77 1oni s SER 48 CO 0.54 0.09 0.00 0.61 0.98 0.00 0.00 173.24 175.46 1oni n GLY 49 N 3.22 0.89 5.10 7.32 0.00 -1.26 -4.88 105.19 115.59 1oni n GLY 49 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 -2.08 0.32 -0.02 0.00 -1.26 -4.32 105.19 97.83 1oni n GLY 50 Ca 0.00 -1.56 0.07 0.00 0.00 0.00 0.00 46.02 44.53 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 0.78 0.43 1.61 3.04 -1.98 -1.97 116.25 118.16 1oni h VAL 51 Ca 0.00 -0.25 -0.02 0.00 -1.01 0.00 0.00 66.70 65.42 1oni h VAL 51 Cb 0.00 -0.01 0.00 0.00 -2.01 0.00 0.00 31.29 29.27 1oni h VAL 51 CO 0.00 0.13 -0.23 0.00 -1.01 0.00 0.00 177.57 176.46 1oni h ALA 52 N 1.56 -0.61 -0.54 3.17 0.00 -1.94 0.20 119.26 121.09 1oni h ALA 52 Ca 0.48 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 55.15 1oni h ALA 52 Cb 0.63 0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1oni h ALA 52 CO -0.34 -0.85 -0.07 0.93 0.00 0.00 0.00 179.25 178.92 1oni h GLU 53 N -0.62 1.00 -0.76 0.00 4.39 -1.73 -2.21 114.58 114.66 1oni h GLU 53 Ca -0.05 -0.36 -0.04 0.00 0.34 0.00 0.00 59.36 59.25 1oni h GLU 53 Cb 0.49 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.03 1oni h GLU 53 CO 0.08 1.04 0.33 0.93 -1.16 0.00 0.00 179.01 180.23 1oni h GLU 54 N 0.88 1.12 -0.48 2.33 5.08 -1.26 -0.66 114.58 121.59 1oni h GLU 54 Ca 0.14 -0.19 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 1oni h GLU 54 Cb 0.63 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1oni h GLU 54 CO 0.04 0.90 0.03 0.00 -1.00 0.00 0.00 179.01 178.98 1oni h ALA 55 N 1.17 0.64 -0.28 3.43 0.00 -0.44 0.69 119.26 124.47 1oni h ALA 55 Ca 0.26 -0.26 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1oni h ALA 55 Cb 0.17 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1oni h ALA 55 CO -0.03 0.42 0.16 -0.22 0.00 0.00 0.00 179.25 179.58 1oni h LYS 56 N 0.69 0.32 -0.47 0.00 3.64 -1.17 -1.59 116.57 117.98 1oni h LYS 56 Ca 0.14 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.41 1oni h LYS 56 Cb 0.47 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.20 1oni h LYS 56 CO 0.02 0.21 -0.07 0.37 -2.27 0.00 0.00 179.45 177.71 1oni h GLN 57 N 0.33 0.83 -0.53 1.90 5.75 -0.80 -1.07 115.11 121.52 1oni h GLN 57 Ca 0.11 -0.26 -0.08 0.00 -0.15 0.00 0.00 58.65 58.28 1oni h GLN 57 Cb 0.01 -0.08 -0.02 0.00 1.07 0.00 0.00 27.48 28.46 1oni h GLN 57 CO -0.06 0.87 0.02 0.00 -2.65 0.00 0.00 178.83 177.02 1oni h ALA 58 N 1.16 1.05 -0.24 3.38 0.00 -0.56 -0.30 119.26 123.75 1oni h ALA 58 Ca 0.13 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 1oni h ALA 58 Cb 0.55 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1oni h ALA 58 CO 0.03 0.60 -0.46 -0.07 0.00 0.00 0.00 179.25 179.35 1oni h LEU 59 N 0.81 0.66 -0.61 0.00 3.38 -1.08 -1.72 115.31 116.75 1oni h LEU 59 Ca 0.16 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1oni h LEU 59 Cb 0.45 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1oni h LEU 59 CO 0.02 1.02 0.35 0.50 0.09 0.00 0.00 178.44 180.42 1oni h LYS 60 N 0.49 0.83 -0.65 1.13 3.64 -0.84 -0.18 116.57 120.99 1oni h LYS 60 Ca 0.03 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1oni h LYS 60 Cb 0.99 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.61 1oni h LYS 60 CO 0.09 0.61 0.42 -0.91 -2.27 0.00 0.00 179.45 177.40 1oni h ASN 61 N 0.82 0.76 -0.57 4.20 2.35 -0.77 -1.52 115.58 120.85 1oni h ASN 61 Ca 0.22 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.94 1oni h ASN 61 Cb 0.01 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.16 1oni h ASN 61 CO -0.04 0.56 0.36 -0.03 -1.65 0.00 0.00 177.43 176.63 1oni h MET 62 N 0.89 0.77 -0.72 0.81 4.05 -1.05 -2.31 114.93 117.36 1oni h MET 62 Ca 0.24 -0.06 0.06 0.00 -0.28 0.00 0.00 59.70 59.66 1oni h MET 62 Cb -0.08 -0.16 -0.06 0.00 -0.80 0.00 0.00 31.60 30.50 1oni h MET 62 CO -0.05 0.54 0.41 0.78 0.23 0.00 0.00 176.91 178.82 1oni h GLY 63 N 0.77 1.07 1.49 1.39 0.00 -0.41 -0.14 103.07 107.25 1oni h GLY 63 Ca 0.21 -0.29 -0.09 0.00 0.00 0.00 0.00 47.33 47.16 1oni h GLY 63 CO -0.04 0.17 -0.18 0.83 0.00 0.00 0.00 176.54 177.32 1oni h GLU 64 N 0.75 0.60 -0.20 4.80 4.39 -0.92 -1.41 114.58 122.59 1oni h GLU 64 Ca 0.32 -0.21 -0.02 0.00 0.34 0.00 0.00 59.36 59.80 1oni h GLU 64 Cb 0.20 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.80 1oni h GLU 64 CO -0.19 0.75 0.04 0.82 -1.16 0.00 0.00 179.01 179.27 1oni h ILE 65 N 0.54 1.22 -0.57 3.13 2.04 -1.01 -1.52 117.51 121.34 1oni h ILE 65 Ca 0.09 -0.72 0.07 0.00 1.00 0.00 0.00 64.86 65.30 1oni h ILE 65 Cb 0.61 1.31 -0.06 0.00 -0.74 0.00 0.00 36.82 37.94 1oni h ILE 65 CO 0.04 0.22 0.24 -0.07 0.00 0.00 0.00 178.15 178.59 1oni h LEU 66 N 0.13 0.30 -0.67 1.44 3.38 -0.84 -2.37 115.31 116.68 1oni h LEU 66 Ca 0.06 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1oni h LEU 66 Cb 0.30 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1oni h LEU 66 CO 0.00 0.19 0.17 0.50 0.09 0.00 0.00 178.44 179.40 1oni h LYS 67 N 0.46 1.07 0.00 1.13 3.64 -1.14 0.26 116.57 121.99 1oni h LYS 67 Ca 0.27 -0.25 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1oni h LYS 67 Cb 0.27 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1oni h LYS 67 CO -0.24 0.95 -0.07 0.00 -2.27 0.00 0.00 179.45 177.82 1oni h ALA 68 N 1.07 1.35 -0.42 5.00 0.00 -0.78 0.24 119.26 125.72 1oni h ALA 68 Ca 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1oni h ALA 68 Cb 0.35 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1oni h ALA 68 CO 0.00 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.33 1oni n ALA 69 N -2.28 2.44 -1.23 0.00 0.00 -0.19 -4.92 120.51 114.33 1oni n ALA 69 Ca -0.02 -0.86 -0.02 0.00 0.00 0.00 0.00 53.44 52.54 1oni n ALA 69 Cb 0.17 -0.97 -0.01 0.00 0.00 0.00 0.00 19.45 18.65 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 1.35 0.47 3.74 0.00 0.00 0.07 -4.99 105.19 105.83 1oni n GLY 70 Ca 0.18 -0.98 -0.32 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.03 0.28 0.00 5.68 -1.26 -2.98 116.55 116.89 1oni n ASP 72 Ca -0.19 -1.08 0.15 0.00 -0.50 0.00 0.00 54.79 53.17 1oni n ASP 72 Cb 0.66 0.07 0.83 0.00 -1.14 0.00 0.00 41.12 41.54 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 1.04 0.00 0.00 2.11 0.04 -1.93 -2.01 116.94 116.19 1oni h PHE 73 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1oni h PHE 73 Cb 0.05 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.20 1oni h PHE 73 CO 0.00 0.07 0.00 1.79 -0.60 0.00 0.00 178.31 179.57 1oni h THR 74 N 0.00 0.00 -0.00 -1.55 1.35 -1.95 -2.35 112.91 108.41 1oni h THR 74 Ca -0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 1oni h THR 74 Cb 0.23 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 1oni h THR 74 CO 0.01 0.00 -0.21 0.59 -0.25 0.00 0.00 175.52 175.66 1oni n ASN 75 N -2.67 0.38 -4.71 5.36 3.02 -0.75 -4.87 115.26 111.01 1oni n ASN 75 Ca -0.00 -0.18 -0.42 0.00 -0.03 0.00 0.00 54.58 53.94 1oni n ASN 75 Cb 0.17 -0.08 -0.03 0.00 -0.61 0.00 0.00 39.78 39.23 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 -2.79 4.50 -0.08 2.41 1.01 -0.89 -1.07 120.40 123.49 1oni s VAL 76 Ca 0.19 1.80 0.12 0.00 0.00 0.00 0.00 61.98 64.08 1oni s VAL 76 Cb 0.19 -4.15 -0.17 0.00 0.00 0.00 0.00 36.38 32.25 1oni s VAL 76 CO 0.57 0.12 0.28 1.33 0.00 0.00 0.00 175.10 177.40 1oni n VAL 77 N 4.00 0.00 -3.69 2.92 0.24 0.24 -4.37 118.33 117.67 1oni n VAL 77 Ca 0.08 -0.26 -0.11 0.00 -2.04 0.00 0.00 64.34 62.00 1oni n VAL 77 Cb 0.49 0.34 -0.09 0.00 -1.47 0.00 0.00 33.84 33.10 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 -2.70 0.54 0.21 7.34 2.47 -1.04 -1.24 119.74 125.31 1oni s LYS 78 Ca -0.03 0.83 0.05 0.00 -1.56 0.00 0.00 55.97 55.26 1oni s LYS 78 Cb 0.08 0.15 -0.05 0.00 -1.46 0.00 0.00 37.83 36.54 1oni s LYS 78 CO 0.48 -0.12 -0.08 0.95 0.16 0.00 0.00 175.35 176.74 1oni s THR 79 N 0.92 1.35 -0.08 3.43 -4.23 -0.31 -1.02 115.64 115.71 1oni s THR 79 Ca -0.05 -2.10 0.01 0.00 -1.18 0.00 0.00 61.69 58.36 1oni s THR 79 Cb -0.06 -2.13 0.02 0.00 1.34 0.00 0.00 72.50 71.67 1oni s THR 79 CO -0.08 -0.52 -0.08 -0.89 -0.54 0.00 0.00 174.62 172.51 1oni s THR 80 N -3.21 0.90 -0.30 3.99 2.01 -0.82 -2.15 115.64 116.06 1oni s THR 80 Ca 0.23 -0.29 -0.05 0.00 0.31 0.00 0.00 61.69 61.89 1oni s THR 80 Cb 0.03 -0.89 0.02 0.00 0.01 0.00 0.00 72.50 71.67 1oni s THR 80 CO 0.06 0.32 0.05 -0.69 -0.69 0.00 0.00 174.62 173.68 1oni s VAL 81 N 1.17 3.65 -0.34 3.82 1.01 -0.16 -1.53 120.40 128.02 1oni s VAL 81 Ca -0.06 -0.91 -0.10 0.00 0.00 0.00 0.00 61.98 60.91 1oni s VAL 81 Cb -0.14 -2.94 0.01 0.00 0.00 0.00 0.00 36.38 33.31 1oni s VAL 81 CO -0.02 0.03 0.17 -0.76 0.00 0.00 0.00 175.10 174.52 1oni s LEU 82 N 1.43 4.35 0.04 3.92 1.43 -0.19 -2.66 118.68 127.00 1oni s LEU 82 Ca 0.01 -0.73 0.02 0.00 -1.03 0.00 0.00 54.13 52.39 1oni s LEU 82 Cb -0.18 -2.01 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 1oni s LEU 82 CO 0.01 -0.27 0.06 -0.76 0.23 0.00 0.00 176.35 175.62 1oni s LEU 83 N 1.58 3.76 0.31 1.79 1.43 -0.35 -1.52 118.68 125.68 1oni s LEU 83 Ca 0.03 0.03 0.16 0.00 -1.03 0.00 0.00 54.13 53.33 1oni s LEU 83 Cb -0.18 -2.31 0.25 0.00 0.03 0.00 0.00 46.19 43.98 1oni s LEU 83 CO 0.06 0.23 1.53 0.00 0.23 0.00 0.00 176.35 178.40 1oni h ALA 84 N 3.77 0.76 -3.08 4.21 0.00 -1.51 -1.08 119.26 122.32 1oni h ALA 84 Ca -0.48 -0.42 -0.41 0.00 0.00 0.00 0.00 54.91 53.60 1oni h ALA 84 Cb 1.17 -0.07 -0.40 0.00 0.00 0.00 0.00 17.79 18.49 1oni h ALA 84 CO 0.63 0.58 -0.73 0.34 0.00 0.00 0.00 179.25 180.07 1oni s ASP 85 N -6.44 1.83 0.57 0.00 -1.08 -1.26 -4.77 116.67 105.52 1oni s ASP 85 Ca 0.03 -0.33 0.27 0.00 -0.52 0.00 0.00 52.55 52.00 1oni s ASP 85 Cb 0.08 -0.13 1.50 0.00 -1.46 0.00 0.00 42.92 42.91 1oni s ASP 85 CO 0.73 -0.31 2.00 -0.29 0.52 0.00 0.00 175.17 177.81 1oni h ILE 86 N 6.41 0.54 0.00 4.11 6.09 -1.92 -0.93 117.51 131.82 1oni h ILE 86 Ca -0.14 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.35 1oni h ILE 86 Cb 1.14 0.73 0.00 0.00 0.47 0.00 0.00 36.82 39.16 1oni h ILE 86 CO 0.24 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.91 1oni n ASN 87 N -4.00 0.00 -0.22 2.19 3.02 -1.26 -2.45 115.26 112.54 1oni n ASN 87 Ca 0.07 0.23 0.13 0.00 -0.03 0.00 0.00 54.58 54.97 1oni n ASN 87 Cb 0.54 -0.38 0.65 0.00 -0.61 0.00 0.00 39.78 39.97 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 -1.38 0.68 0.11 6.41 8.00 -0.35 -4.36 116.55 125.66 1oni n ASP 88 Ca 0.07 -1.35 -0.00 0.00 0.71 0.00 0.00 54.79 54.22 1oni n ASP 88 Cb 0.18 -0.02 0.29 0.00 -0.02 0.00 0.00 41.12 41.55 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 1.00 0.23 -0.22 1.24 3.57 -1.66 -1.63 116.94 119.46 1oni h PHE 89 Ca 0.00 -0.05 -0.16 0.00 3.53 0.00 0.00 57.97 61.29 1oni h PHE 89 Cb 0.21 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.89 1oni h PHE 89 CO 0.02 0.51 -0.51 -0.91 -2.23 0.00 0.00 178.31 175.19 1oni h ASN 90 N 0.18 0.68 -0.41 0.41 2.35 -1.86 -1.37 115.58 115.57 1oni h ASN 90 Ca 0.02 -0.35 -0.04 0.00 -0.55 0.00 0.00 56.30 55.39 1oni h ASN 90 Cb 0.66 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.82 1oni h ASN 90 CO 0.05 1.07 0.11 0.74 -1.65 0.00 0.00 177.43 177.74 1oni h THR 91 N 0.48 1.23 -0.53 2.81 2.02 -1.77 -2.65 112.91 114.50 1oni h THR 91 Ca 0.02 -0.76 -0.05 0.00 0.77 0.00 0.00 66.41 66.39 1oni h THR 91 Cb 1.06 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 68.40 1oni h THR 91 CO 0.10 0.27 0.15 0.58 0.37 0.00 0.00 175.52 176.98 1oni h VAL 92 N 0.51 1.24 -0.87 3.16 2.07 -1.21 -2.67 116.25 118.48 1oni h VAL 92 Ca 0.13 -0.83 0.05 0.00 0.82 0.00 0.00 66.70 66.87 1oni h VAL 92 Cb 0.30 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 30.78 1oni h VAL 92 CO -0.00 0.30 0.55 0.78 0.02 0.00 0.00 177.57 179.22 1oni h ASN 93 N 0.74 0.88 -0.71 0.57 2.35 -1.18 0.15 115.58 118.37 1oni h ASN 93 Ca 0.17 0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.87 1oni h ASN 93 Cb 0.31 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 1oni h ASN 93 CO -0.00 0.58 0.24 -0.33 -1.65 0.00 0.00 177.43 176.27 1oni h GLU 94 N 1.02 1.11 -0.21 0.81 5.08 -1.20 -1.57 114.58 119.62 1oni h GLU 94 Ca 0.37 -0.22 -0.14 0.00 -1.00 0.00 0.00 59.36 58.36 1oni h GLU 94 Cb 0.12 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1oni h GLU 94 CO -0.15 0.93 -0.43 0.82 -1.00 0.00 0.00 179.01 179.18 1oni h ILE 95 N 1.07 1.32 -0.85 3.13 1.08 -1.05 -3.11 117.51 119.10 1oni h ILE 95 Ca 0.24 -1.66 0.14 0.00 -0.39 0.00 0.00 64.86 63.19 1oni h ILE 95 Cb 0.28 1.85 -0.09 0.00 -3.07 0.00 0.00 36.82 35.78 1oni h ILE 95 CO -0.01 0.52 0.45 0.22 -0.69 0.00 0.00 178.15 178.64 1oni h TYR 96 N 0.35 0.80 0.00 1.37 3.20 -0.43 -0.53 116.97 121.73 1oni h TYR 96 Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.91 1oni h TYR 96 Cb 1.04 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.08 1oni h TYR 96 CO 0.09 0.22 0.00 1.63 -1.64 0.00 0.00 178.16 178.46 1oni n LYS 97 N -4.84 0.01 0.08 1.82 5.02 -0.62 -1.47 118.16 118.16 1oni n LYS 97 Ca 0.17 0.23 0.13 0.00 -2.02 0.00 0.00 58.31 56.81 1oni n LYS 97 Cb 0.41 -1.50 0.46 0.00 -0.02 0.00 0.00 35.03 34.38 1oni n LYS 97 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1oni n GLN 98 N -1.49 0.18 -0.01 1.97 6.02 -0.21 -4.25 117.38 119.58 1oni n GLN 98 Ca 0.04 0.21 -0.02 0.00 -0.01 0.00 0.00 57.00 57.22 1oni n GLN 98 Cb 0.18 -1.73 -0.01 0.00 1.02 0.00 0.00 30.24 29.69 1oni n GLN 98 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1oni n TYR 99 N -2.05 0.00 -3.67 1.08 4.01 -0.59 -4.98 117.16 110.96 1oni n TYR 99 Ca 0.05 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.42 1oni n TYR 99 Cb 0.36 -0.10 -0.11 0.00 -0.31 0.00 0.00 39.34 39.18 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 -2.05 3.23 -0.10 -0.72 0.40 -0.54 -4.84 117.98 113.35 1oni s PHE 100 Ca -0.03 0.05 0.07 0.00 -0.60 0.00 0.00 56.93 56.41 1oni s PHE 100 Cb 0.01 -2.30 -0.11 0.00 0.51 0.00 0.00 43.02 41.13 1oni s PHE 100 CO 0.06 -0.11 0.00 1.63 0.70 0.00 0.00 175.22 177.51 1oni n LYS 101 N 4.71 2.04 -3.81 0.44 4.76 -1.26 -4.48 118.16 120.55 1oni n LYS 101 Ca -0.15 0.01 -0.05 0.00 -2.87 0.00 0.00 58.31 55.25 1oni n LYS 101 Cb 0.52 -1.24 -0.00 0.00 -1.84 0.00 0.00 35.03 32.47 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 -4.35 -0.13 -1.35 4.39 1.04 -1.26 -4.98 113.70 107.07 1oni s SER 102 Ca -0.07 -0.62 -0.08 0.00 0.48 0.00 0.00 55.95 55.66 1oni s SER 102 Cb 0.03 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.75 1oni s SER 102 CO 0.36 -1.14 0.47 0.59 0.98 0.00 0.00 173.24 174.50 1oni n ASN 103 N -0.77 -1.62 -4.76 7.02 5.03 -1.26 -4.83 115.26 114.07 1oni n ASN 103 Ca -0.05 -1.08 -0.38 0.00 0.87 0.00 0.00 54.58 53.93 1oni n ASN 103 Cb 0.60 -2.78 0.01 0.00 -1.02 0.00 0.00 39.78 36.60 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 -3.87 2.60 0.64 3.10 0.40 -1.26 -4.95 117.98 114.64 1oni s PHE 104 Ca 0.16 1.42 -0.18 0.00 -0.60 0.00 0.00 56.93 57.73 1oni s PHE 104 Cb -0.07 -3.66 -0.01 0.00 0.51 0.00 0.00 43.02 39.80 1oni s PHE 104 CO 0.91 -2.30 1.30 -2.14 0.70 0.00 0.00 175.22 173.68 1oni s PRO 105 N -2.65 2.58 0.74 0.24 0.02 -1.26 -4.98 135.00 129.68 1oni s PRO 105 Ca 0.65 2.07 -0.15 0.00 0.02 0.00 0.00 61.00 63.58 1oni s PRO 105 Cb -0.37 -1.86 0.04 0.00 0.02 0.00 0.00 34.50 32.33 1oni s PRO 105 CO 0.45 -1.58 1.20 0.00 -0.33 0.00 0.00 177.00 176.74 1oni n ALA 106 N -1.87 0.38 -3.21 -1.55 0.00 -0.37 -4.85 120.51 109.04 1oni n ALA 106 Ca 0.16 -0.19 -0.13 0.00 0.00 0.00 0.00 53.44 53.28 1oni n ALA 106 Cb 0.48 -2.26 -0.09 0.00 0.00 0.00 0.00 19.45 17.58 1oni n ALA 106 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1oni s ARG 107 N -3.73 0.59 0.07 0.00 3.52 -1.26 -1.16 118.95 116.97 1oni s ARG 107 Ca 0.77 -0.13 0.07 0.00 -0.13 0.00 0.00 55.73 56.30 1oni s ARG 107 Cb -0.33 0.26 -0.03 0.00 -1.56 0.00 0.00 34.95 33.29 1oni s ARG 107 CO 0.47 -0.15 -0.19 0.00 -0.81 0.00 0.00 175.30 174.62 1oni s ALA 108 N -1.11 1.57 -0.11 6.12 0.00 -0.92 -4.98 121.76 122.33 1oni s ALA 108 Ca -0.12 -1.07 -0.10 0.00 0.00 0.00 0.00 51.96 50.67 1oni s ALA 108 Cb -0.05 -0.24 0.03 0.00 0.00 0.00 0.00 23.12 22.85 1oni s ALA 108 CO 0.03 0.32 0.30 0.00 0.00 0.00 0.00 175.76 176.41 1oni s ALA 109 N -0.99 -0.74 0.06 0.00 0.00 -1.26 -0.98 121.76 117.84 1oni s ALA 109 Ca 0.05 0.85 -0.28 0.00 0.00 0.00 0.00 51.96 52.58 1oni s ALA 109 Cb -0.09 -0.50 0.09 0.00 0.00 0.00 0.00 23.12 22.62 1oni s ALA 109 CO 0.03 -0.14 1.06 1.52 0.00 0.00 0.00 175.76 178.22 1oni s TYR 110 N 0.18 -0.14 -0.18 0.00 1.13 -1.09 -5.01 117.35 112.25 1oni s TYR 110 Ca -0.00 -0.07 -0.09 0.00 -1.41 0.00 0.00 57.07 55.49 1oni s TYR 110 Cb -0.02 0.59 -0.05 0.00 -1.10 0.00 0.00 41.96 41.38 1oni s TYR 110 CO 0.00 -0.59 0.13 -1.14 -2.51 0.00 0.00 175.55 171.44 1oni s GLN 111 N -2.97 4.02 0.49 -3.49 0.74 -1.26 -1.20 119.66 115.99 1oni s GLN 111 Ca 0.11 -0.21 0.08 0.00 0.05 0.00 0.00 55.36 55.40 1oni s GLN 111 Cb 0.00 -3.36 0.03 0.00 1.10 0.00 0.00 33.01 30.78 1oni s GLN 111 CO -0.02 0.40 0.55 0.14 -0.55 0.00 0.00 175.29 175.81 1oni s VAL 112 N 0.08 2.40 0.12 1.34 -7.23 -0.41 -4.91 120.40 111.79 1oni s VAL 112 Ca 0.09 -1.19 0.02 0.00 -1.81 0.00 0.00 61.98 59.09 1oni s VAL 112 Cb -0.11 -2.59 -0.21 0.00 0.56 0.00 0.00 36.38 34.03 1oni s VAL 112 CO -0.01 0.00 1.27 0.00 -0.31 0.00 0.00 175.10 176.06 1oni h ALA 113 N 0.63 0.33 -1.63 1.32 0.00 -1.92 -3.43 119.26 114.56 1oni h ALA 113 Ca -0.37 -0.83 0.06 0.00 0.00 0.00 0.00 54.91 53.76 1oni h ALA 113 Cb 1.28 -0.08 -0.23 0.00 0.00 0.00 0.00 17.79 18.76 1oni h ALA 113 CO 0.49 1.04 0.47 0.00 0.00 0.00 0.00 179.25 181.26 1oni s ALA 114 N -2.87 -1.92 0.28 0.00 0.00 -1.26 -5.06 121.76 110.94 1oni s ALA 114 Ca -0.02 1.64 0.11 0.00 0.00 0.00 0.00 51.96 53.69 1oni s ALA 114 Cb 0.09 -0.83 -0.05 0.00 0.00 0.00 0.00 23.12 22.34 1oni s ALA 114 CO 0.84 -0.30 -0.11 -0.51 0.00 0.00 0.00 175.76 175.69 1oni s LEU 115 N -0.74 2.84 0.40 0.00 2.01 -1.26 -5.09 118.68 116.85 1oni s LEU 115 Ca -0.02 -0.91 -0.26 0.00 0.01 0.00 0.00 54.13 52.95 1oni s LEU 115 Cb -0.02 -1.33 -0.10 0.00 0.01 0.00 0.00 46.19 44.75 1oni s LEU 115 CO 0.01 -0.01 1.37 -2.65 1.01 0.00 0.00 176.35 176.07 1oni n PRO 116 N -0.76 2.23 -1.38 1.29 -0.02 -1.26 -2.55 135.00 132.55 1oni n PRO 116 Ca -0.05 0.79 -0.13 0.00 -2.02 0.00 0.00 63.50 62.08 1oni n PRO 116 Cb 0.60 -2.51 -0.06 0.00 -0.02 0.00 0.00 33.50 31.52 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 0.17 -1.37 -1.25 -0.52 5.02 -1.26 -1.97 118.16 116.97 1oni n LYS 117 Ca 0.05 0.94 -0.09 0.00 -2.02 0.00 0.00 58.31 57.19 1oni n LYS 117 Cb 0.39 -5.21 -0.04 0.00 -0.02 0.00 0.00 35.03 30.16 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 -0.45 1.03 3.58 0.72 0.00 -1.06 -4.99 105.19 104.03 1oni n GLY 118 Ca -0.13 -0.54 -0.35 0.00 0.00 0.00 0.00 46.02 45.00 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 0.36 -0.03 0.00 1.61 7.64 -0.83 -4.96 113.62 117.41 1oni n SER 119 Ca -0.09 0.61 0.11 0.00 1.01 0.00 0.00 58.87 60.51 1oni n SER 119 Cb 0.31 -1.36 -0.02 0.00 -1.01 0.00 0.00 64.21 62.12 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 -1.82 0.06 -3.63 1.43 5.12 -1.26 -4.45 116.66 112.12 1oni n ARG 120 Ca 0.12 -0.01 -0.15 0.00 -1.93 0.00 0.00 57.85 55.88 1oni n ARG 120 Cb 0.50 -1.51 -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 0.00 -0.03 0.55 2.07 -1.26 -1.42 121.20 118.07 1oni s ILE 121 Ca 0.07 -0.01 0.02 0.00 -1.41 0.00 0.00 60.65 59.32 1oni s ILE 121 Cb 0.16 -0.93 0.01 0.00 0.13 0.00 0.00 42.46 41.83 1oni s ILE 121 CO 0.83 -0.01 -0.06 -0.70 -1.91 0.00 0.00 174.94 173.09 1oni s GLU 122 N 0.03 0.74 -0.12 3.50 2.12 -0.58 -4.42 118.70 119.97 1oni s GLU 122 Ca -0.02 -0.17 0.01 0.00 0.36 0.00 0.00 54.97 55.14 1oni s GLU 122 Cb -0.04 -0.73 0.02 0.00 0.26 0.00 0.00 34.13 33.64 1oni s GLU 122 CO 0.03 0.02 -0.12 0.42 -0.54 0.00 0.00 175.26 175.06 1oni s ILE 123 N 0.47 1.37 0.32 -3.70 1.01 -0.43 -1.02 121.20 119.21 1oni s ILE 123 Ca -0.06 -0.52 0.07 0.00 0.00 0.00 0.00 60.65 60.14 1oni s ILE 123 Cb -0.10 -1.30 -0.03 0.00 0.01 0.00 0.00 42.46 41.05 1oni s ILE 123 CO 0.00 0.42 0.30 -1.83 0.00 0.00 0.00 174.94 173.83 1oni s GLU 124 N 1.40 2.84 0.15 2.79 -1.05 -0.58 -0.70 118.70 123.54 1oni s GLU 124 Ca 0.01 -1.19 -0.21 0.00 -0.15 0.00 0.00 54.97 53.43 1oni s GLU 124 Cb -0.13 -2.55 0.06 0.00 -0.44 0.00 0.00 34.13 31.07 1oni s GLU 124 CO -0.07 0.16 0.56 0.00 0.95 0.00 0.00 175.26 176.86 1oni s ALA 125 N -2.24 -1.45 -0.07 -0.84 0.00 -1.21 -1.94 121.76 114.01 1oni s ALA 125 Ca 0.40 0.37 0.04 0.00 0.00 0.00 0.00 51.96 52.76 1oni s ALA 125 Cb -0.07 0.85 0.00 0.00 0.00 0.00 0.00 23.12 23.90 1oni s ALA 125 CO 0.27 -0.74 -0.19 0.08 0.00 0.00 0.00 175.76 175.17 1oni s VAL 126 N -3.76 1.66 0.16 0.00 1.01 -0.19 -1.15 120.40 118.13 1oni s VAL 126 Ca 0.01 -0.81 0.06 0.00 0.00 0.00 0.00 61.98 61.25 1oni s VAL 126 Cb -0.00 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.89 1oni s VAL 126 CO -0.13 0.47 -0.13 0.00 0.00 0.00 0.00 175.10 175.31 1oni s ALA 127 N 0.28 1.68 -0.17 5.51 0.00 -0.19 -0.59 121.76 128.28 1oni s ALA 127 Ca -0.12 -1.50 0.01 0.00 0.00 0.00 0.00 51.96 50.35 1oni s ALA 127 Cb -0.15 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 22.93 1oni s ALA 127 CO 0.05 0.03 -0.18 0.42 0.00 0.00 0.00 175.76 176.08 1oni s ILE 128 N -2.82 2.30 0.25 0.00 -1.09 -0.23 0.02 121.20 119.63 1oni s ILE 128 Ca 0.17 -0.88 -0.31 0.00 -2.23 0.00 0.00 60.65 57.40 1oni s ILE 128 Cb -0.01 -1.96 -0.13 0.00 -1.58 0.00 0.00 42.46 38.78 1oni s ILE 128 CO 0.04 0.53 1.43 0.00 -1.23 0.00 0.00 174.94 175.70 1oni n GLN 129 N 4.36 2.14 -1.60 2.79 6.02 0.86 -4.78 117.38 127.17 1oni n GLN 129 Ca -0.20 0.76 -0.30 0.00 -0.01 0.00 0.00 57.00 57.25 1oni n GLN 129 Cb 0.51 -2.43 0.21 0.00 1.02 0.00 0.00 30.24 29.54 1oni n GLN 129 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1oni s GLY 130 N 0.28 1.70 0.39 1.08 0.00 -1.26 -4.79 107.32 104.73 1oni s GLY 130 Ca 0.67 -1.11 -0.17 0.00 0.00 0.00 0.00 44.72 44.11 1oni s GLY 130 CO 0.50 -0.29 0.84 2.56 0.00 0.00 0.00 173.10 176.72 1oni s PRO 131 N -5.70 4.04 -0.13 2.90 0.04 -1.26 -5.15 135.00 129.74 1oni s PRO 131 Ca 0.73 0.83 0.02 0.00 0.04 0.00 0.00 61.00 62.62 1oni s PRO 131 Cb -0.06 -2.30 0.01 0.00 0.04 0.00 0.00 34.50 32.19 1oni s PRO 131 CO 0.54 0.02 -0.21 -0.51 0.04 0.00 0.00 177.00 176.88 1oni s LEU 132 N -3.30 2.02 -0.27 -3.56 1.43 -1.26 -5.10 118.68 108.64 1oni s LEU 132 Ca 0.57 -0.56 -0.10 0.00 -1.03 0.00 0.00 54.13 53.01 1oni s LEU 132 Cb -0.10 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.72 1oni s LEU 132 CO 0.19 0.07 0.15 0.28 0.23 0.00 0.00 176.35 177.27 1oni s THR 133 N 0.82 4.98 -0.22 5.49 -1.32 -1.26 -5.07 115.64 119.07 1oni s THR 133 Ca -0.08 0.06 -0.14 0.00 -1.21 0.00 0.00 61.69 60.31 1oni s THR 133 Cb -0.16 -3.36 -0.04 0.00 -1.51 0.00 0.00 72.50 67.44 1oni s THR 133 CO -0.01 0.29 0.34 -0.89 -2.21 0.00 0.00 174.62 172.14 1oni s THR 134 N 1.65 5.24 -0.78 5.08 2.01 -1.26 -5.30 115.64 122.27 1oni s THR 134 Ca 0.07 0.57 0.06 0.00 0.31 0.00 0.00 61.69 62.70 1oni s THR 134 Cb -0.16 -3.67 0.05 0.00 0.01 0.00 0.00 72.50 68.73 1oni s THR 134 CO 0.08 0.27 0.70 0.00 -0.69 0.00 0.00 174.62 174.98