#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 6.30 0.02 -3.46 0.01 -1.26 -5.05 113.70 110.27 1oni s SER 3 Ca 0.00 3.03 0.06 0.00 1.31 0.00 0.00 55.95 60.34 1oni s SER 3 Cb 0.00 -2.67 -0.03 0.00 0.21 0.00 0.00 66.02 63.53 1oni s SER 3 CO 0.00 -0.90 -0.14 -0.76 0.41 0.00 0.00 173.24 171.85 1oni s LEU 4 N -2.16 2.79 -0.12 2.44 1.43 -1.26 -5.09 118.68 116.70 1oni s LEU 4 Ca 0.54 -0.33 -0.29 0.00 -1.03 0.00 0.00 54.13 53.01 1oni s LEU 4 Cb -0.46 -1.62 -0.01 0.00 0.03 0.00 0.00 46.19 44.13 1oni s LEU 4 CO 0.62 0.27 1.10 -0.63 0.23 0.00 0.00 176.35 177.94 1oni s ILE 5 N -0.94 4.54 -0.08 -0.59 1.01 -1.26 -4.88 121.20 119.00 1oni s ILE 5 Ca 0.15 1.84 -0.00 0.00 0.00 0.00 0.00 60.65 62.64 1oni s ILE 5 Cb -0.11 -4.19 0.03 0.00 0.01 0.00 0.00 42.46 38.20 1oni s ILE 5 CO 0.06 -0.05 -0.04 -0.60 0.00 0.00 0.00 174.94 174.31 1oni s ARG 6 N 2.49 1.05 -0.02 2.79 3.00 -1.26 -0.32 118.95 126.68 1oni s ARG 6 Ca 0.51 -0.09 -0.04 0.00 -1.00 0.00 0.00 55.73 55.11 1oni s ARG 6 Cb -0.20 -1.21 0.00 0.00 0.00 0.00 0.00 34.95 33.54 1oni s ARG 6 CO 0.16 -0.24 0.09 1.03 0.00 0.00 0.00 175.30 176.34 1oni s ARG 7 N 1.67 0.21 0.31 5.12 0.52 0.07 -5.01 118.95 121.84 1oni s ARG 7 Ca 0.02 -0.07 -0.21 0.00 -0.52 0.00 0.00 55.73 54.95 1oni s ARG 7 Cb -0.13 0.09 -0.09 0.00 0.52 0.00 0.00 34.95 35.34 1oni s ARG 7 CO -0.05 -0.04 0.83 0.08 0.02 0.00 0.00 175.30 176.14 1oni s VAL 8 N -0.44 4.46 -0.14 3.52 1.01 -1.26 -0.79 120.40 126.76 1oni s VAL 8 Ca -0.05 1.39 -0.05 0.00 0.00 0.00 0.00 61.98 63.27 1oni s VAL 8 Cb -0.03 -3.79 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 1oni s VAL 8 CO 0.00 0.00 0.03 -0.63 0.00 0.00 0.00 175.10 174.50 1oni s ILE 9 N -1.78 4.50 -0.23 2.22 -1.09 -0.30 -4.89 121.20 119.63 1oni s ILE 9 Ca 0.51 -0.15 -0.04 0.00 -2.23 0.00 0.00 60.65 58.74 1oni s ILE 9 Cb -0.14 -2.97 0.12 0.00 -1.58 0.00 0.00 42.46 37.89 1oni s ILE 9 CO 0.19 0.52 0.37 -0.55 -1.23 0.00 0.00 174.94 174.25 1oni s SER 10 N -0.10 0.18 -0.02 3.58 0.15 -1.26 -3.69 113.70 112.55 1oni s SER 10 Ca 0.05 0.39 0.06 0.00 0.70 0.00 0.00 55.95 57.15 1oni s SER 10 Cb -0.12 1.12 -0.01 0.00 -1.71 0.00 0.00 66.02 65.29 1oni s SER 10 CO 0.02 -0.28 -0.21 0.28 1.20 0.00 0.00 173.24 174.24 1oni s THR 11 N 2.55 1.66 -1.38 6.45 -1.32 -1.26 -5.01 115.64 117.33 1oni s THR 11 Ca 0.09 -0.89 0.18 0.00 -1.21 0.00 0.00 61.69 59.85 1oni s THR 11 Cb -0.15 -1.39 0.29 0.00 -1.51 0.00 0.00 72.50 69.75 1oni s THR 11 CO -0.15 0.47 1.54 0.00 -2.21 0.00 0.00 174.62 174.28 1oni n ALA 12 N 2.62 1.95 0.79 11.08 0.00 -1.26 -2.94 120.51 132.75 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 0.53 -1.29 0.48 0.00 0.00 0.00 0.00 19.45 19.17 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 -1.31 0.02 -4.29 0.00 4.76 -1.26 -4.70 118.16 111.37 1oni n LYS 13 Ca 0.08 0.11 -0.16 0.00 -2.87 0.00 0.00 58.31 55.47 1oni n LYS 13 Cb 0.15 -1.50 -0.10 0.00 -1.84 0.00 0.00 35.03 31.74 1oni n LYS 13 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1oni s ALA 14 N -2.98 1.69 0.56 7.82 0.00 -1.15 -4.82 121.76 122.90 1oni s ALA 14 Ca 0.11 -1.56 -0.21 0.00 0.00 0.00 0.00 51.96 50.31 1oni s ALA 14 Cb 0.15 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 1oni s ALA 14 CO 0.41 -0.02 1.33 -2.14 0.00 0.00 0.00 175.76 175.33 1oni s PRO 15 N -3.68 3.04 0.65 0.00 0.02 -1.26 -4.87 135.00 128.90 1oni s PRO 15 Ca 0.19 2.16 -0.15 0.00 0.02 0.00 0.00 61.00 63.21 1oni s PRO 15 Cb 0.01 -2.16 -0.01 0.00 0.02 0.00 0.00 34.50 32.36 1oni s PRO 15 CO 0.03 -1.24 1.12 0.20 -0.33 0.00 0.00 177.00 176.78 1oni s GLY 16 N -1.10 2.22 0.29 0.52 0.00 -1.26 -4.97 107.32 103.03 1oni s GLY 16 Ca 0.74 0.60 -0.29 0.00 0.00 0.00 0.00 44.72 45.76 1oni s GLY 16 CO 0.45 0.95 1.41 0.00 0.00 0.00 0.00 173.10 175.90 1oni s ALA 17 N -2.25 3.58 -2.57 3.20 0.00 -1.26 -4.91 121.76 117.55 1oni s ALA 17 Ca 0.68 1.34 0.23 0.00 0.00 0.00 0.00 51.96 54.21 1oni s ALA 17 Cb -0.21 -3.54 0.50 0.00 0.00 0.00 0.00 23.12 19.86 1oni s ALA 17 CO 0.40 -0.75 1.43 0.44 0.00 0.00 0.00 175.76 177.28 1oni n ILE 18 N 1.64 0.27 -3.61 0.00 -5.35 -1.26 -4.98 119.36 106.06 1oni n ILE 18 Ca 0.04 -0.55 -0.07 0.00 -0.27 0.00 0.00 62.75 61.90 1oni n ILE 18 Cb 0.41 0.93 0.01 0.00 -1.74 0.00 0.00 39.64 39.25 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 1.36 1.65 3.26 3.28 0.00 -1.26 -5.08 105.19 108.40 1oni n GLY 19 Ca 0.17 -1.27 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 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 2.86 -3.75 1.61 -0.04 -1.26 -4.87 135.00 129.20 1oni n PRO 20 Ca -0.04 -2.90 -0.10 0.00 -0.04 0.00 0.00 63.50 60.42 1oni n PRO 20 Cb 0.38 -3.41 -0.06 0.00 -0.04 0.00 0.00 33.50 30.37 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 4.45 -0.03 0.23 0.54 1.13 -1.26 -5.17 117.35 117.24 1oni s TYR 21 Ca 0.53 -0.31 0.06 0.00 -1.41 0.00 0.00 57.07 55.94 1oni s TYR 21 Cb 0.08 0.09 -0.03 0.00 -1.10 0.00 0.00 41.96 40.99 1oni s TYR 21 CO 0.03 -0.60 0.24 -1.12 -2.51 0.00 0.00 175.55 171.59 1oni s SER 22 N -2.71 5.79 0.16 -0.18 0.01 -1.26 -4.77 113.70 110.74 1oni s SER 22 Ca 0.02 -0.12 -0.15 0.00 1.31 0.00 0.00 55.95 57.02 1oni s SER 22 Cb 0.03 -1.57 0.04 0.00 0.21 0.00 0.00 66.02 64.73 1oni s SER 22 CO -0.10 -0.03 1.77 1.56 0.41 0.00 0.00 173.24 176.85 1oni h GLN 23 N 1.58 0.67 -2.72 12.44 4.20 -1.95 -3.41 115.11 125.92 1oni h GLN 23 Ca -0.49 -0.08 -0.03 0.00 0.06 0.00 0.00 58.65 58.11 1oni h GLN 23 Cb 1.23 -0.13 -0.14 0.00 0.30 0.00 0.00 27.48 28.74 1oni h GLN 23 CO 0.62 0.52 0.21 0.00 -0.67 0.00 0.00 178.83 179.50 1oni s ALA 24 N -5.87 -1.65 -0.08 3.87 0.00 -1.24 -0.91 121.76 115.88 1oni s ALA 24 Ca -0.13 0.72 0.02 0.00 0.00 0.00 0.00 51.96 52.58 1oni s ALA 24 Cb 0.11 0.64 0.01 0.00 0.00 0.00 0.00 23.12 23.89 1oni s ALA 24 CO 0.75 -0.66 -0.14 0.08 0.00 0.00 0.00 175.76 175.79 1oni s VAL 25 N -3.03 1.31 -0.25 0.00 1.01 -0.25 -1.14 120.40 118.05 1oni s VAL 25 Ca -0.02 -0.56 -0.12 0.00 0.00 0.00 0.00 61.98 61.27 1oni s VAL 25 Cb -0.01 -1.19 -0.05 0.00 0.00 0.00 0.00 36.38 35.14 1oni s VAL 25 CO -0.07 0.40 0.25 -0.22 0.00 0.00 0.00 175.10 175.46 1oni s LEU 26 N 0.74 4.09 -0.07 3.92 2.96 0.03 -0.90 118.68 129.46 1oni s LEU 26 Ca -0.13 0.19 -0.02 0.00 -0.22 0.00 0.00 54.13 53.95 1oni s LEU 26 Cb -0.16 -2.24 0.03 0.00 0.50 0.00 0.00 46.19 44.33 1oni s LEU 26 CO 0.03 -0.03 0.05 0.54 -1.32 0.00 0.00 176.35 175.62 1oni s VAL 27 N 1.42 0.05 -1.33 1.68 0.11 0.18 -0.75 120.40 121.76 1oni s VAL 27 Ca 0.11 0.24 -0.23 0.00 -2.93 0.00 0.00 61.98 59.17 1oni s VAL 27 Cb -0.15 -0.34 0.03 0.00 -1.53 0.00 0.00 36.38 34.40 1oni s VAL 27 CO 0.07 0.14 0.45 -0.67 -3.33 0.00 0.00 175.10 171.77 1oni n ASP 28 N 5.25 -2.40 0.00 3.54 2.03 0.56 -1.10 116.55 124.42 1oni n ASP 28 Ca -0.05 -1.30 0.00 0.00 0.52 0.00 0.00 54.79 53.96 1oni n ASP 28 Cb 0.50 -1.63 0.00 0.00 -0.72 0.00 0.00 41.12 39.27 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 -4.92 0.00 -3.37 -0.67 1.74 -1.26 -5.00 116.66 103.18 1oni n ARG 29 Ca -0.18 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.52 1oni n ARG 29 Cb 0.61 -1.18 -0.06 0.00 -1.02 0.00 0.00 32.46 30.81 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 -1.48 5.22 -0.26 0.55 2.01 -0.26 0.39 115.64 121.80 1oni s THR 30 Ca 0.00 0.85 -0.04 0.00 0.31 0.00 0.00 61.69 62.81 1oni s THR 30 Cb 0.00 -3.77 0.01 0.00 0.01 0.00 0.00 72.50 68.75 1oni s THR 30 CO 0.00 0.34 0.00 -0.63 -0.69 0.00 0.00 174.62 173.64 1oni s ILE 31 N 0.60 3.43 -0.38 1.82 1.01 0.98 -0.65 121.20 128.02 1oni s ILE 31 Ca 0.24 -0.76 -0.18 0.00 0.00 0.00 0.00 60.65 59.95 1oni s ILE 31 Cb -0.15 -2.71 0.01 0.00 0.01 0.00 0.00 42.46 39.62 1oni s ILE 31 CO 0.09 0.20 0.48 -0.31 0.00 0.00 0.00 174.94 175.40 1oni s TYR 32 N 1.43 3.17 -0.20 3.97 2.02 -0.07 -1.10 117.35 126.56 1oni s TYR 32 Ca 0.02 -0.03 -0.09 0.00 -0.37 0.00 0.00 57.07 56.60 1oni s TYR 32 Cb -0.16 -2.93 -0.05 0.00 -0.40 0.00 0.00 41.96 38.42 1oni s TYR 32 CO -0.01 -0.61 0.11 0.42 -1.57 0.00 0.00 175.55 173.89 1oni s ILE 33 N 2.32 5.20 0.83 2.71 1.01 -0.36 -1.09 121.20 131.82 1oni s ILE 33 Ca 0.16 0.12 -0.13 0.00 0.00 0.00 0.00 60.65 60.80 1oni s ILE 33 Cb -0.16 -3.37 0.07 0.00 0.01 0.00 0.00 42.46 39.01 1oni s ILE 33 CO 0.14 0.43 1.03 -1.20 0.00 0.00 0.00 174.94 175.34 1oni n SER 34 N 3.67 0.34 -4.68 3.58 7.64 -0.09 -3.14 113.62 120.94 1oni n SER 34 Ca -0.16 0.54 -0.45 0.00 1.01 0.00 0.00 58.87 59.81 1oni n SER 34 Cb 0.52 -1.44 -0.04 0.00 -1.01 0.00 0.00 64.21 62.24 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 0.74 1.43 3.77 0.23 0.00 -1.26 -4.58 105.19 105.53 1oni n GLY 35 Ca 0.12 0.71 -0.36 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 2.21 3.54 0.46 1.61 -1.52 0.31 -4.82 119.66 121.45 1oni s GLN 36 Ca 0.82 -0.24 0.05 0.00 -1.95 0.00 0.00 55.36 54.04 1oni s GLN 36 Cb -0.59 -3.14 -0.04 0.00 -0.22 0.00 0.00 33.01 29.02 1oni s GLN 36 CO 0.40 0.61 0.09 0.96 -0.25 0.00 0.00 175.29 177.10 1oni s ILE 37 N -0.57 1.74 -0.06 1.08 -4.36 -1.26 -1.20 121.20 116.58 1oni s ILE 37 Ca 0.12 -1.87 -0.05 0.00 -0.26 0.00 0.00 60.65 58.59 1oni s ILE 37 Cb -0.12 -2.61 -0.18 0.00 1.25 0.00 0.00 42.46 40.80 1oni s ILE 37 CO 0.02 0.00 3.25 0.61 0.24 0.00 0.00 174.94 179.06 1oni n GLY 38 N -1.23 3.11 3.76 6.27 0.00 -1.24 -4.01 105.19 111.86 1oni n GLY 38 Ca -0.09 -1.11 -0.39 0.00 0.00 0.00 0.00 46.02 44.44 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 0.47 4.36 0.19 1.61 0.00 -1.26 -1.28 119.30 123.39 1oni s MET 39 Ca 0.55 0.83 -0.30 0.00 0.00 0.00 0.00 55.69 56.78 1oni s MET 39 Cb 0.28 -3.33 -0.08 0.00 0.00 0.00 0.00 34.83 31.70 1oni s MET 39 CO -0.03 0.39 1.09 0.34 0.00 0.00 0.00 175.02 176.81 1oni s ASP 40 N -0.31 7.29 0.45 1.11 2.15 0.10 -4.72 116.67 122.74 1oni s ASP 40 Ca 0.33 2.09 0.23 0.00 0.43 0.00 0.00 52.55 55.63 1oni s ASP 40 Cb -0.19 -2.61 1.03 0.00 -0.30 0.00 0.00 42.92 40.85 1oni s ASP 40 CO 0.19 -0.19 1.89 1.55 -0.17 0.00 0.00 175.17 178.44 1oni h PRO 41 N 4.92 0.00 0.08 4.34 0.14 -1.90 0.11 132.00 139.70 1oni h PRO 41 Ca -0.45 0.00 -0.16 0.00 0.14 0.00 0.00 66.00 65.54 1oni h PRO 41 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.36 1oni h PRO 41 CO 0.71 0.24 -0.77 0.77 0.14 0.00 0.00 178.00 179.09 1oni h SER 42 N 0.00 0.27 0.71 1.44 0.02 -1.91 -3.39 113.55 110.69 1oni h SER 42 Ca -0.00 -0.90 -0.13 0.00 -0.84 0.00 0.00 61.79 59.92 1oni h SER 42 Cb 0.63 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 1oni h SER 42 CO 0.03 1.34 -1.38 -1.54 -1.14 0.00 0.00 176.83 174.15 1oni n SER 43 N -4.25 0.79 -0.17 3.07 3.41 -1.22 -4.97 113.62 110.28 1oni n SER 43 Ca -0.17 0.34 -0.02 0.00 -0.26 0.00 0.00 58.87 58.75 1oni n SER 43 Cb 0.73 0.34 -0.01 0.00 -0.26 0.00 0.00 64.21 65.01 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 1.35 0.51 3.62 5.00 0.00 0.39 -5.00 105.19 111.06 1oni n GLY 44 Ca -0.08 -0.20 -0.27 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.30 2.24 0.41 1.61 -0.21 -1.26 -4.82 119.66 116.34 1oni s GLN 45 Ca 0.00 -1.13 -0.26 0.00 0.02 0.00 0.00 55.36 53.99 1oni s GLN 45 Cb 0.00 -2.29 -0.10 0.00 1.00 0.00 0.00 33.01 31.62 1oni s GLN 45 CO 0.00 0.46 1.36 1.28 -2.12 0.00 0.00 175.29 176.28 1oni n LEU 46 N 0.13 4.41 -4.79 2.90 4.77 -1.26 -0.72 117.00 122.43 1oni n LEU 46 Ca -0.11 1.15 -0.33 0.00 -0.03 0.00 0.00 56.01 56.69 1oni n LEU 46 Cb 0.54 -1.55 0.01 0.00 -2.33 0.00 0.00 43.42 40.10 1oni n LEU 46 CO 0.36 -0.31 0.74 0.68 -1.33 0.00 0.00 177.39 177.53 1oni s VAL 47 N -1.16 3.48 0.51 4.08 -7.23 -0.40 -4.81 120.40 114.86 1oni s VAL 47 Ca 0.58 0.78 -0.17 0.00 -1.81 0.00 0.00 61.98 61.36 1oni s VAL 47 Cb -0.49 -3.28 -0.08 0.00 0.56 0.00 0.00 36.38 33.08 1oni s VAL 47 CO 0.60 -0.34 0.98 -0.44 -0.31 0.00 0.00 175.10 175.59 1oni s SER 48 N -2.38 6.63 0.00 4.85 0.01 -1.26 -4.55 113.70 117.00 1oni s SER 48 Ca 0.67 1.58 0.00 0.00 1.31 0.00 0.00 55.95 59.52 1oni s SER 48 Cb -0.19 -2.51 0.00 0.00 0.21 0.00 0.00 66.02 63.53 1oni s SER 48 CO 0.34 -0.58 0.00 0.61 0.41 0.00 0.00 173.24 174.01 1oni n GLY 49 N -1.50 1.01 3.39 3.44 0.00 -1.26 -4.81 105.19 105.46 1oni n GLY 49 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.40 -1.75 0.33 -0.02 0.00 -1.26 -4.53 105.19 97.55 1oni n GLY 50 Ca 0.00 -1.69 -0.05 0.00 0.00 0.00 0.00 46.02 44.28 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 -0.21 1.61 3.04 -1.96 -0.09 116.25 119.88 1oni h VAL 51 Ca 0.00 -0.59 -0.01 0.00 -1.01 0.00 0.00 66.70 65.09 1oni h VAL 51 Cb 0.00 0.13 -0.01 0.00 -2.01 0.00 0.00 31.29 29.40 1oni h VAL 51 CO 0.00 0.27 0.08 0.00 -1.01 0.00 0.00 177.57 176.90 1oni h ALA 52 N 1.24 0.28 -0.41 3.17 0.00 -1.94 0.13 119.26 121.73 1oni h ALA 52 Ca 0.29 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 1oni h ALA 52 Cb 0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1oni h ALA 52 CO -0.05 -0.12 -0.14 0.93 0.00 0.00 0.00 179.25 179.88 1oni h GLU 53 N 0.18 0.76 -0.45 0.00 4.39 -1.71 -2.37 114.58 115.37 1oni h GLU 53 Ca 0.07 -0.26 -0.13 0.00 0.34 0.00 0.00 59.36 59.38 1oni h GLU 53 Cb 0.20 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1oni h GLU 53 CO -0.00 0.86 -0.21 0.93 -1.16 0.00 0.00 179.01 179.43 1oni h GLU 54 N 0.68 0.94 -0.49 2.33 5.08 -0.78 -2.01 114.58 120.34 1oni h GLU 54 Ca 0.11 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 1oni h GLU 54 Cb 0.62 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 1oni h GLU 54 CO 0.04 1.07 0.28 0.00 -1.00 0.00 0.00 179.01 179.40 1oni h ALA 55 N 0.85 0.62 -0.23 3.43 0.00 -0.65 0.10 119.26 123.39 1oni h ALA 55 Ca 0.10 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1oni h ALA 55 Cb 0.78 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1oni h ALA 55 CO 0.06 0.12 0.07 0.87 0.00 0.00 0.00 179.25 180.38 1oni h LYS 56 N 0.65 0.17 -0.54 0.00 1.57 -1.33 -1.16 116.57 115.93 1oni h LYS 56 Ca 0.17 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.83 1oni h LYS 56 Cb 0.02 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1oni h LYS 56 CO -0.03 0.11 -0.10 0.37 -0.57 0.00 0.00 179.45 179.23 1oni h GLN 57 N 0.18 1.00 -0.87 3.15 5.75 -1.06 -0.12 115.11 123.14 1oni h GLN 57 Ca 0.10 -0.36 0.01 0.00 -0.15 0.00 0.00 58.65 58.25 1oni h GLN 57 Cb 0.07 -0.07 -0.04 0.00 1.07 0.00 0.00 27.48 28.51 1oni h GLN 57 CO -0.11 1.04 0.58 0.00 -2.65 0.00 0.00 178.83 177.69 1oni h ALA 58 N 0.98 1.11 -0.25 3.38 0.00 -0.57 -0.14 119.26 123.76 1oni h ALA 58 Ca 0.14 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 1oni h ALA 58 Cb 0.66 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1oni h ALA 58 CO 0.05 0.49 -0.51 -0.07 0.00 0.00 0.00 179.25 179.21 1oni h LEU 59 N 1.17 0.79 -0.52 0.00 3.38 -0.86 -0.81 115.31 118.45 1oni h LEU 59 Ca 0.32 -0.41 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1oni h LEU 59 Cb -0.12 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.38 1oni h LEU 59 CO -0.08 1.16 0.34 0.11 0.09 0.00 0.00 178.44 180.06 1oni h LYS 60 N 0.56 0.66 -0.24 1.13 1.57 -0.63 0.95 116.57 120.58 1oni h LYS 60 Ca 0.02 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1oni h LYS 60 Cb 1.08 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.22 1oni h LYS 60 CO 0.11 0.44 0.13 -0.91 -0.57 0.00 0.00 179.45 178.64 1oni h ASN 61 N 0.68 0.20 -0.77 0.86 2.35 -0.80 -1.08 115.58 117.03 1oni h ASN 61 Ca 0.20 0.01 0.04 0.00 -0.55 0.00 0.00 56.30 55.99 1oni h ASN 61 Cb -0.05 -0.03 -0.05 0.00 0.05 0.00 0.00 38.32 38.24 1oni h ASN 61 CO -0.06 0.15 0.48 -0.03 -1.65 0.00 0.00 177.43 176.32 1oni h MET 62 N 0.27 0.90 -0.92 0.81 4.05 -0.86 -2.08 114.93 117.11 1oni h MET 62 Ca 0.10 -0.05 0.05 0.00 -0.28 0.00 0.00 59.70 59.51 1oni h MET 62 Cb 0.01 -0.20 -0.06 0.00 -0.80 0.00 0.00 31.60 30.55 1oni h MET 62 CO -0.06 0.60 0.59 0.78 0.23 0.00 0.00 176.91 179.05 1oni h GLY 63 N 0.93 1.36 1.53 1.39 0.00 -0.16 0.71 103.07 108.82 1oni h GLY 63 Ca 0.31 -0.44 -0.14 0.00 0.00 0.00 0.00 47.33 47.06 1oni h GLY 63 CO -0.12 0.35 -0.45 0.83 0.00 0.00 0.00 176.54 177.15 1oni h GLU 64 N 1.11 0.52 -0.21 4.80 4.39 -0.73 -1.48 114.58 122.98 1oni h GLU 64 Ca 0.38 -0.28 -0.05 0.00 0.34 0.00 0.00 59.36 59.74 1oni h GLU 64 Cb 0.07 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1oni h GLU 64 CO -0.14 0.87 -0.08 0.82 -1.16 0.00 0.00 179.01 179.31 1oni h ILE 65 N 0.42 1.30 -0.58 3.13 2.04 -0.91 -2.40 117.51 120.52 1oni h ILE 65 Ca 0.03 -1.13 0.09 0.00 1.00 0.00 0.00 64.86 64.85 1oni h ILE 65 Cb 0.96 1.61 -0.07 0.00 -0.74 0.00 0.00 36.82 38.58 1oni h ILE 65 CO 0.08 0.34 0.21 -0.07 0.00 0.00 0.00 178.15 178.72 1oni h LEU 66 N 0.13 0.21 -0.63 1.44 3.38 -0.75 -1.92 115.31 117.16 1oni h LEU 66 Ca 0.05 0.07 0.04 0.00 0.09 0.00 0.00 57.88 58.13 1oni h LEU 66 Cb 0.56 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 1oni h LEU 66 CO 0.03 0.13 0.37 0.50 0.09 0.00 0.00 178.44 179.56 1oni h LYS 67 N 0.39 0.68 0.00 1.13 3.64 -1.07 0.21 116.57 121.55 1oni h LYS 67 Ca 0.29 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.63 1oni h LYS 67 Cb 0.34 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1oni h LYS 67 CO -0.29 0.45 0.00 0.00 -2.27 0.00 0.00 179.45 177.34 1oni h ALA 68 N 1.31 1.00 -0.65 5.00 0.00 -0.85 -1.01 119.26 124.06 1oni h ALA 68 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1oni h ALA 68 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1oni h ALA 68 CO -0.14 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.11 1oni n ALA 69 N -1.81 2.40 -0.73 0.00 0.00 -0.33 -4.93 120.51 115.11 1oni n ALA 69 Ca 0.02 -1.15 0.00 0.00 0.00 0.00 0.00 53.44 52.31 1oni n ALA 69 Cb 0.23 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.73 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 1.55 0.70 3.56 0.00 0.00 -0.38 -4.95 105.19 105.67 1oni n GLY 70 Ca 0.22 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.98 0.40 0.29 0.00 3.85 -1.26 -2.74 116.55 116.11 1oni n ASP 72 Ca -0.07 -0.89 0.16 0.00 -0.71 0.00 0.00 54.79 53.29 1oni n ASP 72 Cb 0.66 0.00 0.85 0.00 -1.35 0.00 0.00 41.12 41.28 1oni n ASP 72 CO 0.00 0.00 0.00 -0.26 -1.01 0.00 0.00 177.20 175.93 1oni h PHE 73 N 0.89 0.00 0.00 2.11 0.04 -1.94 -2.37 116.94 115.67 1oni h PHE 73 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1oni h PHE 73 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1oni h PHE 73 CO 0.00 0.06 0.00 1.79 -0.60 0.00 0.00 178.31 179.56 1oni h THR 74 N 0.00 0.00 0.00 -1.55 1.35 -1.96 -2.60 112.91 108.15 1oni h THR 74 Ca -0.00 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1oni h THR 74 Cb 0.29 1.08 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 1oni h THR 74 CO 0.01 0.00 -0.12 0.59 -0.25 0.00 0.00 175.52 175.75 1oni n ASN 75 N -2.51 0.72 -4.70 5.36 3.02 -0.89 -4.86 115.26 111.40 1oni n ASN 75 Ca 0.01 0.48 -0.42 0.00 -0.03 0.00 0.00 54.58 54.62 1oni n ASN 75 Cb 0.23 -0.59 -0.03 0.00 -0.61 0.00 0.00 39.78 38.79 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 -3.10 3.74 -0.06 2.41 1.01 -0.98 -0.85 120.40 122.57 1oni s VAL 76 Ca 0.10 1.20 0.10 0.00 0.00 0.00 0.00 61.98 63.38 1oni s VAL 76 Cb 0.13 -3.77 -0.15 0.00 0.00 0.00 0.00 36.38 32.59 1oni s VAL 76 CO 0.61 0.06 0.24 1.33 0.00 0.00 0.00 175.10 177.34 1oni n VAL 77 N 4.21 0.00 -3.71 2.92 0.24 0.02 -4.38 118.33 117.63 1oni n VAL 77 Ca 0.11 -0.23 -0.12 0.00 -2.04 0.00 0.00 64.34 62.06 1oni n VAL 77 Cb 0.44 0.34 -0.10 0.00 -1.47 0.00 0.00 33.84 33.06 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 -2.62 0.49 0.17 7.34 2.47 -1.07 -1.15 119.74 125.38 1oni s LYS 78 Ca -0.03 0.70 0.04 0.00 -1.56 0.00 0.00 55.97 55.13 1oni s LYS 78 Cb 0.06 0.16 -0.05 0.00 -1.46 0.00 0.00 37.83 36.55 1oni s LYS 78 CO 0.41 -0.10 -0.07 0.95 0.16 0.00 0.00 175.35 176.70 1oni s THR 79 N 0.67 1.14 -0.09 3.43 -4.23 -0.50 -0.52 115.64 115.53 1oni s THR 79 Ca -0.03 -2.06 0.01 0.00 -1.18 0.00 0.00 61.69 58.43 1oni s THR 79 Cb -0.05 -2.01 0.02 0.00 1.34 0.00 0.00 72.50 71.80 1oni s THR 79 CO -0.05 -0.61 -0.11 -0.89 -0.54 0.00 0.00 174.62 172.42 1oni s THR 80 N -3.35 1.17 -0.31 3.99 2.01 -0.73 -1.89 115.64 116.53 1oni s THR 80 Ca 0.21 -0.44 -0.07 0.00 0.31 0.00 0.00 61.69 61.70 1oni s THR 80 Cb 0.03 -1.11 0.02 0.00 0.01 0.00 0.00 72.50 71.45 1oni s THR 80 CO 0.03 0.38 0.10 -0.69 -0.69 0.00 0.00 174.62 173.75 1oni s VAL 81 N 1.15 4.02 -0.28 3.82 1.01 0.01 -1.97 120.40 128.16 1oni s VAL 81 Ca -0.05 -0.80 -0.09 0.00 0.00 0.00 0.00 61.98 61.05 1oni s VAL 81 Cb -0.14 -3.14 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 1oni s VAL 81 CO -0.02 -0.01 0.13 -0.76 0.00 0.00 0.00 175.10 174.43 1oni s LEU 82 N 1.49 3.83 0.02 3.92 1.43 0.23 -2.55 118.68 127.04 1oni s LEU 82 Ca 0.02 -0.31 0.02 0.00 -1.03 0.00 0.00 54.13 52.82 1oni s LEU 82 Cb -0.18 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 1oni s LEU 82 CO 0.03 -0.11 0.01 -0.76 0.23 0.00 0.00 176.35 175.75 1oni s LEU 83 N 1.64 3.52 0.41 1.79 1.43 -0.52 -1.46 118.68 125.50 1oni s LEU 83 Ca 0.06 -0.03 0.22 0.00 -1.03 0.00 0.00 54.13 53.35 1oni s LEU 83 Cb -0.16 -2.07 0.56 0.00 0.03 0.00 0.00 46.19 44.55 1oni s LEU 83 CO 0.06 0.26 1.67 0.00 0.23 0.00 0.00 176.35 178.57 1oni h ALA 84 N 4.14 0.91 -2.20 4.21 0.00 -1.50 0.32 119.26 125.14 1oni h ALA 84 Ca -0.49 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.09 1oni h ALA 84 Cb 1.17 -0.03 -0.29 0.00 0.00 0.00 0.00 17.79 18.63 1oni h ALA 84 CO 0.58 0.27 -0.45 0.34 0.00 0.00 0.00 179.25 179.98 1oni s ASP 85 N -6.21 0.13 0.60 0.00 -1.08 -1.26 -4.76 116.67 104.09 1oni s ASP 85 Ca 0.03 0.49 0.30 0.00 -0.52 0.00 0.00 52.55 52.86 1oni s ASP 85 Cb 0.08 1.13 1.74 0.00 -1.46 0.00 0.00 42.92 44.41 1oni s ASP 85 CO 0.67 -0.27 2.13 -0.29 0.52 0.00 0.00 175.17 177.92 1oni h ILE 86 N 6.19 0.40 0.00 4.11 6.09 -1.93 -1.05 117.51 131.32 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 1.14 0.86 0.00 0.00 0.47 0.00 0.00 36.82 39.28 1oni h ILE 86 CO 0.21 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.88 1oni n ASN 87 N -3.68 0.00 -0.27 2.19 3.02 -1.26 -2.54 115.26 112.72 1oni n ASN 87 Ca 0.00 0.28 0.15 0.00 -0.03 0.00 0.00 54.58 54.99 1oni n ASN 87 Cb 0.28 -0.40 0.71 0.00 -0.61 0.00 0.00 39.78 39.76 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 -1.40 0.85 -0.28 6.41 8.00 -0.40 -4.48 116.55 125.26 1oni n ASP 88 Ca 0.06 -1.28 0.04 0.00 0.71 0.00 0.00 54.79 54.32 1oni n ASP 88 Cb 0.17 -0.00 0.18 0.00 -0.02 0.00 0.00 41.12 41.45 1oni n ASP 88 CO 0.00 0.00 0.00 2.19 -0.39 0.00 0.00 177.20 179.00 1oni h PHE 89 N 1.33 0.74 -0.11 1.24 -5.15 -1.70 -0.56 116.94 112.73 1oni h PHE 89 Ca 0.00 0.03 -0.01 0.00 -0.20 0.00 0.00 57.97 57.79 1oni h PHE 89 Cb 0.28 -0.21 -0.00 0.00 0.22 0.00 0.00 35.95 36.24 1oni h PHE 89 CO 0.00 0.24 0.04 -0.97 -2.00 0.00 0.00 178.31 175.63 1oni h ASN 90 N 0.66 0.15 -0.46 -0.68 -0.00 -1.87 0.22 115.58 113.60 1oni h ASN 90 Ca 0.40 -0.16 0.05 0.00 -0.00 0.00 0.00 56.30 56.59 1oni h ASN 90 Cb 0.47 -0.04 -0.05 0.00 -0.00 0.00 0.00 38.32 38.70 1oni h ASN 90 CO -0.30 0.27 0.20 0.74 -0.00 0.00 0.00 177.43 178.34 1oni h THR 91 N 0.02 0.91 -0.52 -3.57 2.02 -1.78 -1.74 112.91 108.25 1oni h THR 91 Ca 0.04 -0.13 -0.09 0.00 0.77 0.00 0.00 66.41 66.99 1oni h THR 91 Cb 0.17 0.48 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 1oni h THR 91 CO -0.00 0.07 -0.04 0.58 0.37 0.00 0.00 175.52 176.50 1oni h VAL 92 N 0.39 1.27 -0.45 3.16 2.07 -0.59 -2.79 116.25 119.30 1oni h VAL 92 Ca 0.21 -1.16 -0.07 0.00 0.82 0.00 0.00 66.70 66.50 1oni h VAL 92 Cb 0.16 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1oni h VAL 92 CO -0.18 0.41 0.01 0.78 0.02 0.00 0.00 177.57 178.61 1oni h ASN 93 N 0.81 0.70 -0.84 0.57 2.35 -0.34 0.11 115.58 118.94 1oni h ASN 93 Ca 0.14 -0.16 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 1oni h ASN 93 Cb 0.59 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.73 1oni h ASN 93 CO 0.04 0.76 0.41 -0.08 -1.65 0.00 0.00 177.43 176.91 1oni h GLU 94 N 0.69 1.20 -0.10 0.81 4.22 -1.06 -1.30 114.58 119.05 1oni h GLU 94 Ca 0.14 -0.17 -0.12 0.00 0.08 0.00 0.00 59.36 59.29 1oni h GLU 94 Cb 0.41 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1oni h GLU 94 CO 0.02 0.92 -0.39 0.82 -2.18 0.00 0.00 179.01 178.19 1oni h ILE 95 N 1.19 1.39 -0.85 2.32 1.08 -1.28 -3.28 117.51 118.07 1oni h ILE 95 Ca 0.29 -1.74 0.14 0.00 -0.39 0.00 0.00 64.86 63.16 1oni h ILE 95 Cb 0.10 2.21 -0.09 0.00 -3.07 0.00 0.00 36.82 35.97 1oni h ILE 95 CO -0.04 0.51 0.45 0.22 -0.69 0.00 0.00 178.15 178.61 1oni h TYR 96 N 0.01 0.80 0.00 1.37 3.20 -0.43 -0.28 116.97 121.63 1oni h TYR 96 Ca -0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1oni h TYR 96 Cb 1.03 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 39.07 1oni h TYR 96 CO 0.12 0.21 0.00 1.63 -1.64 0.00 0.00 178.16 178.48 1oni n LYS 97 N -4.84 0.08 0.13 1.82 5.02 -0.52 -1.26 118.16 118.59 1oni n LYS 97 Ca 0.17 0.20 0.12 0.00 -2.02 0.00 0.00 58.31 56.78 1oni n LYS 97 Cb 0.42 -1.50 0.20 0.00 -0.02 0.00 0.00 35.03 34.13 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 -1.12 -3.37 115.11 116.79 1oni h GLN 98 Ca 0.00 0.00 -0.30 0.00 0.06 0.00 0.00 58.65 58.41 1oni h GLN 98 Cb 0.22 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.94 1oni h GLN 98 CO 0.00 0.00 -2.11 0.66 -0.67 0.00 0.00 178.83 176.71 1oni n TYR 99 N -2.57 0.00 -3.57 2.96 4.01 -0.71 -4.87 117.16 112.40 1oni n TYR 99 Ca 0.04 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.37 1oni n TYR 99 Cb 0.49 -0.74 -0.10 0.00 -0.31 0.00 0.00 39.34 38.67 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 -2.38 3.28 -0.53 -0.72 0.40 -0.39 -4.82 117.98 112.81 1oni s PHE 100 Ca -0.27 -1.17 0.18 0.00 -0.60 0.00 0.00 56.93 55.07 1oni s PHE 100 Cb 0.08 -2.71 -0.23 0.00 0.51 0.00 0.00 43.02 40.67 1oni s PHE 100 CO 0.42 -0.74 0.62 1.63 0.70 0.00 0.00 175.22 177.86 1oni n LYS 101 N 4.99 0.90 -3.78 0.44 4.76 -1.26 -4.40 118.16 119.82 1oni n LYS 101 Ca -0.11 -0.06 -0.01 0.00 -2.87 0.00 0.00 58.31 55.26 1oni n LYS 101 Cb 0.45 -1.38 0.00 0.00 -1.84 0.00 0.00 35.03 32.26 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 -3.22 -0.07 -1.02 4.39 1.04 -1.26 -4.96 113.70 108.61 1oni s SER 102 Ca 0.02 -0.35 -0.22 0.00 0.48 0.00 0.00 55.95 55.87 1oni s SER 102 Cb 0.13 0.33 0.03 0.00 0.10 0.00 0.00 66.02 66.61 1oni s SER 102 CO 0.74 -0.64 0.42 0.59 0.98 0.00 0.00 173.24 175.34 1oni n ASN 103 N -0.75 -2.39 -4.74 7.02 3.02 -1.26 -4.76 115.26 111.41 1oni n ASN 103 Ca -0.05 -1.03 -0.37 0.00 -0.03 0.00 0.00 54.58 53.10 1oni n ASN 103 Cb 0.61 -1.25 0.05 0.00 -0.61 0.00 0.00 39.78 38.58 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 2.21 0.77 3.10 0.08 -1.26 -4.98 117.98 114.01 1oni s PHE 104 Ca 0.31 1.49 -0.14 0.00 0.12 0.00 0.00 56.93 58.71 1oni s PHE 104 Cb -0.17 -3.62 0.06 0.00 -0.57 0.00 0.00 43.02 38.72 1oni s PHE 104 CO 0.78 -2.65 1.20 -2.14 -0.10 0.00 0.00 175.22 172.31 1oni s PRO 105 N -3.33 1.89 0.84 0.24 0.02 -1.26 -4.99 135.00 128.41 1oni s PRO 105 Ca 0.80 1.73 -0.12 0.00 0.02 0.00 0.00 61.00 63.43 1oni s PRO 105 Cb -0.35 -1.81 0.10 0.00 0.02 0.00 0.00 34.50 32.46 1oni s PRO 105 CO 0.37 -2.02 1.16 0.00 -0.33 0.00 0.00 177.00 176.18 1oni s ALA 106 N -2.11 1.79 -0.08 -1.55 0.00 -0.30 -4.85 121.76 114.65 1oni s ALA 106 Ca 0.73 0.62 -0.16 0.00 0.00 0.00 0.00 51.96 53.16 1oni s ALA 106 Cb -0.28 -3.43 0.03 0.00 0.00 0.00 0.00 23.12 19.44 1oni s ALA 106 CO 0.48 -2.34 0.38 0.50 0.00 0.00 0.00 175.76 174.79 1oni s ARG 107 N -4.47 0.60 0.05 0.00 3.52 -1.26 -1.41 118.95 115.97 1oni s ARG 107 Ca 0.68 0.22 0.08 0.00 -0.13 0.00 0.00 55.73 56.58 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 0.54 -0.13 -0.20 0.00 -0.81 0.00 0.00 175.30 174.69 1oni s ALA 108 N -0.55 2.51 -0.13 6.12 0.00 -0.79 -4.98 121.76 123.94 1oni s ALA 108 Ca -0.07 -1.24 -0.11 0.00 0.00 0.00 0.00 51.96 50.54 1oni s ALA 108 Cb -0.04 -0.65 0.04 0.00 0.00 0.00 0.00 23.12 22.47 1oni s ALA 108 CO 0.03 0.56 0.34 0.00 0.00 0.00 0.00 175.76 176.70 1oni s ALA 109 N -0.92 -0.85 0.04 0.00 0.00 -1.26 -0.81 121.76 117.95 1oni s ALA 109 Ca 0.14 1.01 -0.28 0.00 0.00 0.00 0.00 51.96 52.83 1oni s ALA 109 Cb -0.10 -0.59 0.09 0.00 0.00 0.00 0.00 23.12 22.51 1oni s ALA 109 CO 0.05 -0.17 0.98 1.52 0.00 0.00 0.00 175.76 178.14 1oni s TYR 110 N 0.32 -0.21 -0.07 0.00 1.13 -1.06 -5.00 117.35 112.46 1oni s TYR 110 Ca -0.01 0.03 -0.16 0.00 -1.41 0.00 0.00 57.07 55.52 1oni s TYR 110 Cb -0.03 0.58 -0.05 0.00 -1.10 0.00 0.00 41.96 41.35 1oni s TYR 110 CO -0.01 -0.59 0.41 -1.14 -2.51 0.00 0.00 175.55 171.71 1oni s GLN 111 N -3.05 4.14 0.54 -3.49 0.74 -1.26 -1.44 119.66 115.84 1oni s GLN 111 Ca 0.09 0.37 0.07 0.00 0.05 0.00 0.00 55.36 55.94 1oni s GLN 111 Cb -0.01 -3.34 0.05 0.00 1.10 0.00 0.00 33.01 30.81 1oni s GLN 111 CO -0.04 0.41 0.52 0.14 -0.55 0.00 0.00 175.29 175.77 1oni s VAL 112 N -0.16 1.94 0.03 1.34 -7.23 0.10 -4.90 120.40 111.52 1oni s VAL 112 Ca 0.23 -1.32 -0.12 0.00 -1.81 0.00 0.00 61.98 58.97 1oni s VAL 112 Cb -0.15 -2.25 -0.33 0.00 0.56 0.00 0.00 36.38 34.20 1oni s VAL 112 CO 0.10 0.00 0.97 0.00 -0.31 0.00 0.00 175.10 175.86 1oni h ALA 113 N 0.61 -0.03 -2.44 1.32 0.00 -1.92 -3.43 119.26 113.37 1oni h ALA 113 Ca -0.35 -0.93 0.02 0.00 0.00 0.00 0.00 54.91 53.65 1oni h ALA 113 Cb 1.29 0.19 -0.16 0.00 0.00 0.00 0.00 17.79 19.12 1oni h ALA 113 CO 0.52 0.83 0.32 0.00 0.00 0.00 0.00 179.25 180.92 1oni s ALA 114 N -2.61 -1.73 0.24 0.00 0.00 -1.26 -5.06 121.76 111.34 1oni s ALA 114 Ca -0.09 0.93 0.09 0.00 0.00 0.00 0.00 51.96 52.89 1oni s ALA 114 Cb 0.05 0.40 -0.05 0.00 0.00 0.00 0.00 23.12 23.52 1oni s ALA 114 CO 0.91 -0.61 -0.15 -0.51 0.00 0.00 0.00 175.76 175.40 1oni s LEU 115 N -2.16 2.57 0.34 0.00 1.43 -1.26 -5.09 118.68 114.50 1oni s LEU 115 Ca -0.01 -1.04 -0.28 0.00 -1.03 0.00 0.00 54.13 51.76 1oni s LEU 115 Cb -0.01 -0.82 -0.12 0.00 0.03 0.00 0.00 46.19 45.27 1oni s LEU 115 CO -0.05 -0.12 1.34 -2.65 0.23 0.00 0.00 176.35 175.10 1oni n PRO 116 N -0.49 2.22 -1.24 1.29 -0.02 -1.26 -1.93 135.00 133.57 1oni n PRO 116 Ca -0.07 0.78 -0.08 0.00 -2.02 0.00 0.00 63.50 62.11 1oni n PRO 116 Cb 0.61 -2.40 -0.04 0.00 -0.02 0.00 0.00 33.50 31.65 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 0.72 -1.33 -1.56 -0.52 4.76 -1.26 -1.92 118.16 117.06 1oni n LYS 117 Ca 0.05 0.73 -0.09 0.00 -2.87 0.00 0.00 58.31 56.13 1oni n LYS 117 Cb 0.36 -4.90 -0.03 0.00 -1.84 0.00 0.00 35.03 28.62 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 -0.47 0.74 3.71 0.72 0.00 -0.81 -5.00 105.19 104.07 1oni n GLY 118 Ca -0.08 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 1oni n GLY 118 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1oni s SER 119 N -2.80 3.75 0.01 1.61 0.01 -0.81 -4.93 113.70 110.53 1oni s SER 119 Ca 0.00 2.31 0.23 0.00 1.31 0.00 0.00 55.95 59.80 1oni s SER 119 Cb 0.00 -2.58 0.14 0.00 0.21 0.00 0.00 66.02 63.78 1oni s SER 119 CO 0.00 -2.56 1.14 0.54 0.41 0.00 0.00 173.24 172.77 1oni n ARG 120 N -3.24 0.05 -3.59 12.44 5.12 -1.26 -4.42 116.66 121.76 1oni n ARG 120 Ca 0.13 -0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.90 1oni n ARG 120 Cb 0.51 -1.52 -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 -3.04 0.00 -0.03 0.55 2.07 -1.26 -1.41 121.20 118.09 1oni s ILE 121 Ca 0.08 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.33 1oni s ILE 121 Cb 0.16 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.77 1oni s ILE 121 CO 0.78 0.00 -0.02 -0.70 -1.91 0.00 0.00 174.94 173.09 1oni s GLU 122 N -0.15 0.46 -0.17 3.50 2.12 -0.53 -4.45 118.70 119.48 1oni s GLU 122 Ca -0.04 -0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.27 1oni s GLU 122 Cb -0.03 -0.55 0.03 0.00 0.26 0.00 0.00 34.13 33.84 1oni s GLU 122 CO 0.04 -0.07 -0.11 0.42 -0.54 0.00 0.00 175.26 175.00 1oni s ILE 123 N 0.75 1.54 0.35 -3.70 1.01 -0.34 -0.60 121.20 120.20 1oni s ILE 123 Ca -0.08 -0.80 0.07 0.00 0.00 0.00 0.00 60.65 59.84 1oni s ILE 123 Cb -0.11 -1.56 -0.01 0.00 0.01 0.00 0.00 42.46 40.79 1oni s ILE 123 CO -0.01 0.28 0.47 -1.83 0.00 0.00 0.00 174.94 173.86 1oni s GLU 124 N 1.47 3.00 0.11 2.79 -1.05 -0.83 -0.53 118.70 123.65 1oni s GLU 124 Ca 0.02 -1.10 -0.22 0.00 -0.15 0.00 0.00 54.97 53.51 1oni s GLU 124 Cb -0.15 -2.76 0.06 0.00 -0.44 0.00 0.00 34.13 30.84 1oni s GLU 124 CO -0.09 -0.01 0.55 0.00 0.95 0.00 0.00 175.26 176.66 1oni s ALA 125 N -2.23 -1.44 -0.08 -0.84 0.00 -1.19 -1.76 121.76 114.22 1oni s ALA 125 Ca 0.47 0.51 0.04 0.00 0.00 0.00 0.00 51.96 52.98 1oni s ALA 125 Cb -0.09 0.64 -0.00 0.00 0.00 0.00 0.00 23.12 23.67 1oni s ALA 125 CO 0.31 -0.64 -0.22 0.08 0.00 0.00 0.00 175.76 175.28 1oni s VAL 126 N -3.19 1.88 0.22 0.00 1.01 0.32 -1.22 120.40 119.43 1oni s VAL 126 Ca -0.01 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.11 1oni s VAL 126 Cb -0.00 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 1oni s VAL 126 CO -0.08 0.52 -0.13 0.00 0.00 0.00 0.00 175.10 175.42 1oni s ALA 127 N 0.23 2.11 -0.13 5.51 0.00 -0.26 -0.80 121.76 128.42 1oni s ALA 127 Ca -0.13 -1.72 0.02 0.00 0.00 0.00 0.00 51.96 50.13 1oni s ALA 127 Cb -0.16 -0.02 0.01 0.00 0.00 0.00 0.00 23.12 22.95 1oni s ALA 127 CO 0.06 0.04 -0.20 0.42 0.00 0.00 0.00 175.76 176.08 1oni s ILE 128 N -2.97 1.88 0.28 0.00 -1.09 -0.03 -0.01 121.20 119.26 1oni s ILE 128 Ca 0.24 -0.87 -0.30 0.00 -2.23 0.00 0.00 60.65 57.49 1oni s ILE 128 Cb 0.00 -1.67 -0.10 0.00 -1.58 0.00 0.00 42.46 39.11 1oni s ILE 128 CO 0.08 0.52 1.45 -1.58 -1.23 0.00 0.00 174.94 174.18 1oni s GLN 129 N 0.84 4.24 0.93 2.79 0.74 0.16 -4.77 119.66 124.59 1oni s GLN 129 Ca -0.08 2.37 -0.14 0.00 0.05 0.00 0.00 55.36 57.56 1oni s GLN 129 Cb -0.15 -3.08 0.19 0.00 1.10 0.00 0.00 33.01 31.07 1oni s GLN 129 CO -0.01 -0.44 1.28 0.20 -0.55 0.00 0.00 175.29 175.77 1oni s GLY 130 N 0.23 1.77 0.35 2.59 0.00 -1.26 -4.73 107.32 106.27 1oni s GLY 130 Ca 0.58 -1.24 -0.28 0.00 0.00 0.00 0.00 44.72 43.79 1oni s GLY 130 CO 0.47 -0.50 1.28 -4.14 0.00 0.00 0.00 173.10 170.21 1oni s PRO 131 N -5.80 4.25 -0.05 2.90 0.02 -1.26 -5.14 135.00 129.92 1oni s PRO 131 Ca 0.73 2.15 0.03 0.00 0.02 0.00 0.00 61.00 63.93 1oni s PRO 131 Cb -0.04 -2.97 0.00 0.00 0.02 0.00 0.00 34.50 31.51 1oni s PRO 131 CO 0.52 -0.25 -0.15 -0.51 -0.33 0.00 0.00 177.00 176.28 1oni s LEU 132 N -1.99 1.81 -0.12 -5.54 1.43 -1.26 -5.13 118.68 107.87 1oni s LEU 132 Ca 0.51 -0.32 0.03 0.00 -1.03 0.00 0.00 54.13 53.32 1oni s LEU 132 Cb -0.38 -0.89 0.01 0.00 0.03 0.00 0.00 46.19 44.96 1oni s LEU 132 CO 0.50 0.10 -0.21 0.28 0.23 0.00 0.00 176.35 177.24 1oni s THR 133 N 0.31 1.95 0.01 5.49 -1.32 -1.26 -5.13 115.64 115.69 1oni s THR 133 Ca -0.09 -0.93 -0.14 0.00 -1.21 0.00 0.00 61.69 59.33 1oni s THR 133 Cb -0.13 -1.71 -0.06 0.00 -1.51 0.00 0.00 72.50 69.09 1oni s THR 133 CO 0.03 0.53 0.39 0.42 -2.21 0.00 0.00 174.62 173.78 1oni s THR 134 N 0.66 5.06 -2.00 5.08 -4.23 -1.26 -5.29 115.64 113.67 1oni s THR 134 Ca -0.11 0.75 0.00 0.00 -1.18 0.00 0.00 61.69 61.15 1oni s THR 134 Cb -0.16 -3.68 0.01 0.00 1.34 0.00 0.00 72.50 70.00 1oni s THR 134 CO 0.02 0.54 0.52 0.00 -0.54 0.00 0.00 174.62 175.16