#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 6.47 0.05 -3.46 1.04 -1.26 -5.09 113.70 111.45 1oni s SER 3 Ca 0.00 1.28 0.08 0.00 0.48 0.00 0.00 55.95 57.79 1oni s SER 3 Cb 0.00 -2.39 -0.03 0.00 0.10 0.00 0.00 66.02 63.70 1oni s SER 3 CO 0.00 -0.56 -0.24 -0.76 0.98 0.00 0.00 173.24 172.67 1oni s LEU 4 N -4.26 2.18 0.12 2.42 1.43 -1.26 -5.12 118.68 114.19 1oni s LEU 4 Ca 0.53 -0.57 -0.25 0.00 -1.03 0.00 0.00 54.13 52.81 1oni s LEU 4 Cb -0.10 -1.12 -0.07 0.00 0.03 0.00 0.00 46.19 44.92 1oni s LEU 4 CO 0.37 0.20 0.78 -0.51 0.23 0.00 0.00 176.35 177.42 1oni s ILE 5 N -0.83 4.51 -0.10 -0.59 2.07 -1.26 -4.98 121.20 120.01 1oni s ILE 5 Ca 0.10 1.70 0.00 0.00 -1.41 0.00 0.00 60.65 61.04 1oni s ILE 5 Cb -0.09 -4.14 0.02 0.00 0.13 0.00 0.00 42.46 38.38 1oni s ILE 5 CO 0.02 0.45 -0.09 -0.60 -1.91 0.00 0.00 174.94 172.82 1oni s ARG 6 N -0.67 1.54 -0.01 3.50 3.00 -1.26 -3.20 118.95 121.84 1oni s ARG 6 Ca 0.37 -0.29 0.01 0.00 -1.00 0.00 0.00 55.73 54.83 1oni s ARG 6 Cb -0.22 -1.50 0.01 0.00 0.00 0.00 0.00 34.95 33.23 1oni s ARG 6 CO 0.25 -0.18 -0.03 -0.98 0.00 0.00 0.00 175.30 174.36 1oni s ARG 7 N 1.40 0.34 -0.16 5.12 1.70 -0.31 -4.99 118.95 122.04 1oni s ARG 7 Ca -0.01 -0.07 -0.28 0.00 -0.47 0.00 0.00 55.73 54.90 1oni s ARG 7 Cb -0.13 -0.39 -0.01 0.00 -0.57 0.00 0.00 34.95 33.85 1oni s ARG 7 CO -0.05 0.00 0.97 0.08 -1.08 0.00 0.00 175.30 175.22 1oni s VAL 8 N 0.32 4.78 0.04 4.99 1.01 -1.26 -1.20 120.40 129.08 1oni s VAL 8 Ca -0.03 1.93 -0.27 0.00 0.00 0.00 0.00 61.98 63.60 1oni s VAL 8 Cb -0.06 -4.26 -0.05 0.00 0.00 0.00 0.00 36.38 32.01 1oni s VAL 8 CO -0.01 -0.05 0.86 -0.63 0.00 0.00 0.00 175.10 175.27 1oni s ILE 9 N 2.42 4.73 -0.10 2.22 -1.09 0.01 -4.99 121.20 124.40 1oni s ILE 9 Ca 0.44 1.82 -0.04 0.00 -2.23 0.00 0.00 60.65 60.64 1oni s ILE 9 Cb -0.17 -4.21 0.05 0.00 -1.58 0.00 0.00 42.46 36.55 1oni s ILE 9 CO 0.13 0.30 0.21 -0.94 -1.23 0.00 0.00 174.94 173.40 1oni s SER 10 N 0.28 0.17 0.05 3.58 1.04 -1.26 -3.79 113.70 113.76 1oni s SER 10 Ca 0.44 0.46 0.06 0.00 0.48 0.00 0.00 55.95 57.38 1oni s SER 10 Cb -0.21 0.42 -0.02 0.00 0.10 0.00 0.00 66.02 66.31 1oni s SER 10 CO 0.25 -0.20 -0.17 0.28 0.98 0.00 0.00 173.24 174.39 1oni s THR 11 N 1.81 1.32 -0.95 2.02 -1.32 -1.26 -5.03 115.64 112.22 1oni s THR 11 Ca -0.04 -1.12 0.26 0.00 -1.21 0.00 0.00 61.69 59.58 1oni s THR 11 Cb -0.11 -1.18 0.22 0.00 -1.51 0.00 0.00 72.50 69.91 1oni s THR 11 CO -0.07 0.04 1.81 0.00 -2.21 0.00 0.00 174.62 174.19 1oni n ALA 12 N 1.78 2.17 1.78 11.08 0.00 -1.26 -3.17 120.51 132.88 1oni n ALA 12 Ca -0.18 -0.07 0.15 0.00 0.00 0.00 0.00 53.44 53.34 1oni n ALA 12 Cb 0.54 -1.42 0.77 0.00 0.00 0.00 0.00 19.45 19.34 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 -1.61 1.29 -4.33 0.00 5.02 -1.26 -4.74 118.16 112.52 1oni n LYS 13 Ca 0.06 -0.42 -0.19 0.00 -2.02 0.00 0.00 58.31 55.74 1oni n LYS 13 Cb 0.31 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 33.73 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 -2.00 1.95 0.33 7.82 0.00 -1.19 -4.84 121.76 123.82 1oni s ALA 14 Ca 0.44 -1.57 -0.29 0.00 0.00 0.00 0.00 51.96 50.53 1oni s ALA 14 Cb 0.22 -0.11 -0.12 0.00 0.00 0.00 0.00 23.12 23.11 1oni s ALA 14 CO 0.36 0.12 1.52 -2.30 0.00 0.00 0.00 175.76 175.46 1oni n PRO 15 N -0.08 2.61 -1.92 0.00 -0.02 -1.26 -4.84 135.00 129.48 1oni n PRO 15 Ca -0.10 0.92 -0.32 0.00 -2.02 0.00 0.00 63.50 61.98 1oni n PRO 15 Cb 0.59 -2.66 0.02 0.00 -0.02 0.00 0.00 33.50 31.42 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 0.19 1.95 0.00 -1.23 0.00 -1.26 -4.97 107.32 101.99 1oni s GLY 16 Ca 0.60 0.25 0.00 0.00 0.00 0.00 0.00 44.72 45.56 1oni s GLY 16 CO 0.55 0.55 0.82 0.00 0.00 0.00 0.00 173.10 175.03 1oni n ALA 17 N -2.37 -0.03 -3.30 3.20 0.00 -1.26 -4.94 120.51 111.81 1oni n ALA 17 Ca 0.08 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.37 1oni n ALA 17 Cb 0.53 0.37 0.01 0.00 0.00 0.00 0.00 19.45 20.36 1oni n ALA 17 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1oni n ILE 18 N -2.21 -7.40 0.00 0.00 5.41 -1.26 -4.96 119.36 108.94 1oni n ILE 18 Ca 0.00 0.12 0.00 0.00 1.00 0.00 0.00 62.75 63.87 1oni n ILE 18 Cb 0.00 -5.32 0.00 0.00 -0.71 0.00 0.00 39.64 33.61 1oni n ILE 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1oni n GLY 19 N -1.15 1.43 2.13 7.39 0.00 -1.26 -4.96 105.19 108.78 1oni n GLY 19 Ca -0.08 -1.46 -0.22 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.42 2.60 -3.89 1.61 -0.04 -1.26 -4.81 135.00 127.79 1oni n PRO 20 Ca 0.00 -1.44 -0.09 0.00 -0.04 0.00 0.00 63.50 61.94 1oni n PRO 20 Cb 0.00 -2.30 -0.08 0.00 -0.04 0.00 0.00 33.50 31.09 1oni n PRO 20 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 1oni s TYR 21 N 1.51 0.21 0.15 0.54 -0.85 -1.26 -5.17 117.35 112.47 1oni s TYR 21 Ca 0.67 -0.65 0.07 0.00 -0.52 0.00 0.00 57.07 56.63 1oni s TYR 21 Cb 0.26 -0.10 -0.04 0.00 0.38 0.00 0.00 41.96 42.46 1oni s TYR 21 CO -0.02 -0.53 -0.00 -1.12 -1.52 0.00 0.00 175.55 172.35 1oni s SER 22 N -2.87 4.84 0.27 -0.18 0.01 -1.26 -4.74 113.70 109.76 1oni s SER 22 Ca 0.06 -0.33 -0.01 0.00 1.31 0.00 0.00 55.95 56.98 1oni s SER 22 Cb 0.05 -1.07 0.45 0.00 0.21 0.00 0.00 66.02 65.67 1oni s SER 22 CO -0.10 0.12 1.87 1.56 0.41 0.00 0.00 173.24 177.09 1oni h GLN 23 N 2.94 1.10 -2.11 12.44 4.20 -1.94 -3.41 115.11 128.33 1oni h GLN 23 Ca -0.47 -0.07 0.07 0.00 0.06 0.00 0.00 58.65 58.24 1oni h GLN 23 Cb 1.19 -0.25 -0.17 0.00 0.30 0.00 0.00 27.48 28.55 1oni h GLN 23 CO 0.58 0.73 0.45 0.00 -0.67 0.00 0.00 178.83 179.92 1oni s ALA 24 N -6.01 -1.83 -0.08 3.87 0.00 -1.25 -0.92 121.76 115.54 1oni s ALA 24 Ca -0.12 1.16 0.02 0.00 0.00 0.00 0.00 51.96 53.02 1oni s ALA 24 Cb 0.21 0.10 0.01 0.00 0.00 0.00 0.00 23.12 23.44 1oni s ALA 24 CO 0.81 -0.56 -0.14 0.08 0.00 0.00 0.00 175.76 175.96 1oni s VAL 25 N -2.41 1.33 -0.19 0.00 1.01 -0.30 -0.81 120.40 119.04 1oni s VAL 25 Ca 0.01 -0.58 -0.09 0.00 0.00 0.00 0.00 61.98 61.32 1oni s VAL 25 Cb -0.01 -1.21 -0.05 0.00 0.00 0.00 0.00 36.38 35.11 1oni s VAL 25 CO -0.04 0.40 0.12 -0.22 0.00 0.00 0.00 175.10 175.36 1oni s LEU 26 N 0.76 4.16 -0.31 3.92 2.96 -0.34 -0.78 118.68 129.05 1oni s LEU 26 Ca -0.12 0.23 0.02 0.00 -0.22 0.00 0.00 54.13 54.04 1oni s LEU 26 Cb -0.16 -2.06 0.16 0.00 0.50 0.00 0.00 46.19 44.63 1oni s LEU 26 CO 0.02 0.20 0.41 0.54 -1.32 0.00 0.00 176.35 176.21 1oni s VAL 27 N 0.21 -0.58 -0.85 1.68 0.11 -0.22 -1.16 120.40 119.58 1oni s VAL 27 Ca 0.08 -0.42 -0.04 0.00 -2.93 0.00 0.00 61.98 58.67 1oni s VAL 27 Cb -0.11 -0.86 -0.00 0.00 -1.53 0.00 0.00 36.38 33.87 1oni s VAL 27 CO -0.01 -0.34 0.69 -0.67 -3.33 0.00 0.00 175.10 171.44 1oni n ASP 28 N 5.08 -6.31 0.00 3.54 4.64 -1.20 -3.27 116.55 119.04 1oni n ASP 28 Ca 0.03 -0.57 0.00 0.00 -1.38 0.00 0.00 54.79 52.87 1oni n ASP 28 Cb 0.49 -3.70 0.00 0.00 -1.04 0.00 0.00 41.12 36.87 1oni n ASP 28 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 1oni n ARG 29 N -2.54 0.00 -3.55 -0.67 5.12 -1.26 -4.97 116.66 108.79 1oni n ARG 29 Ca -0.13 0.00 -0.37 0.00 -1.93 0.00 0.00 57.85 55.42 1oni n ARG 29 Cb 0.59 -1.37 -0.09 0.00 -1.16 0.00 0.00 32.46 30.43 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 -2.60 5.30 -0.26 0.55 2.01 -1.20 -0.16 115.64 119.27 1oni s THR 30 Ca 0.00 0.40 -0.06 0.00 0.31 0.00 0.00 61.69 62.33 1oni s THR 30 Cb 0.00 -3.59 -0.01 0.00 0.01 0.00 0.00 72.50 68.90 1oni s THR 30 CO 0.00 0.31 0.05 -0.63 -0.69 0.00 0.00 174.62 173.66 1oni s ILE 31 N 1.13 3.98 -0.33 1.82 1.01 0.95 -1.05 121.20 128.71 1oni s ILE 31 Ca 0.12 -0.40 -0.16 0.00 0.00 0.00 0.00 60.65 60.21 1oni s ILE 31 Cb -0.14 -2.91 -0.01 0.00 0.01 0.00 0.00 42.46 39.41 1oni s ILE 31 CO 0.06 0.28 0.41 -0.31 0.00 0.00 0.00 174.94 175.37 1oni s TYR 32 N 1.55 3.21 -0.17 3.97 2.02 0.04 -0.94 117.35 127.03 1oni s TYR 32 Ca 0.05 0.11 -0.07 0.00 -0.37 0.00 0.00 57.07 56.79 1oni s TYR 32 Cb -0.15 -2.72 -0.04 0.00 -0.40 0.00 0.00 41.96 38.64 1oni s TYR 32 CO 0.02 -0.42 0.07 0.42 -1.57 0.00 0.00 175.55 174.06 1oni s ILE 33 N 2.13 4.84 0.85 2.71 1.01 -0.30 -1.14 121.20 131.30 1oni s ILE 33 Ca 0.14 -0.02 -0.12 0.00 0.00 0.00 0.00 60.65 60.65 1oni s ILE 33 Cb -0.16 -3.17 0.11 0.00 0.01 0.00 0.00 42.46 39.25 1oni s ILE 33 CO 0.12 0.48 1.18 -0.44 0.00 0.00 0.00 174.94 176.28 1oni s SER 34 N 0.17 3.30 0.09 3.58 0.01 -0.10 -3.23 113.70 117.53 1oni s SER 34 Ca 0.05 2.30 -0.31 0.00 1.31 0.00 0.00 55.95 59.30 1oni s SER 34 Cb -0.12 -2.58 -0.10 0.00 0.21 0.00 0.00 66.02 63.43 1oni s SER 34 CO 0.00 -2.86 1.88 -0.83 0.41 0.00 0.00 173.24 171.85 1oni s GLY 35 N -2.36 1.37 -0.13 3.44 0.00 -1.26 -4.58 107.32 103.80 1oni s GLY 35 Ca 0.71 1.41 -0.07 0.00 0.00 0.00 0.00 44.72 46.76 1oni s GLY 35 CO 0.54 3.26 0.13 1.20 0.00 0.00 0.00 173.10 178.23 1oni s GLN 36 N 3.34 3.52 0.43 2.90 -1.52 0.54 -4.81 119.66 124.05 1oni s GLN 36 Ca 0.84 -0.16 0.06 0.00 -1.95 0.00 0.00 55.36 54.14 1oni s GLN 36 Cb -0.45 -3.20 -0.07 0.00 -0.22 0.00 0.00 33.01 29.08 1oni s GLN 36 CO 0.38 0.71 0.01 0.96 -0.25 0.00 0.00 175.29 177.10 1oni s ILE 37 N -0.82 1.83 0.00 1.08 -4.36 -1.26 -0.95 121.20 116.73 1oni s ILE 37 Ca 0.14 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 58.49 1oni s ILE 37 Cb -0.12 -2.84 -0.19 0.00 1.25 0.00 0.00 42.46 40.56 1oni s ILE 37 CO 0.03 0.00 2.91 0.61 0.24 0.00 0.00 174.94 178.73 1oni n GLY 38 N -1.02 2.62 3.75 6.27 0.00 -1.25 -3.97 105.19 111.59 1oni n GLY 38 Ca -0.08 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 44.70 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 1.08 4.63 -0.07 1.61 1.75 -1.26 -0.95 119.30 126.09 1oni s MET 39 Ca 0.46 1.27 -0.30 0.00 -1.25 0.00 0.00 55.69 55.88 1oni s MET 39 Cb 0.22 -3.33 -0.02 0.00 2.84 0.00 0.00 34.83 34.54 1oni s MET 39 CO 0.00 0.36 0.99 0.34 -0.65 0.00 0.00 175.02 176.06 1oni s ASP 40 N -0.44 7.29 0.56 1.11 -1.08 -0.12 -4.78 116.67 119.21 1oni s ASP 40 Ca 0.41 1.57 0.25 0.00 -0.52 0.00 0.00 52.55 54.26 1oni s ASP 40 Cb -0.23 -2.56 1.62 0.00 -1.46 0.00 0.00 42.92 40.29 1oni s ASP 40 CO 0.27 -0.38 2.22 -0.65 0.52 0.00 0.00 175.17 177.15 1oni h PRO 41 N 6.99 0.00 0.00 4.34 0.11 -1.89 -1.39 132.00 140.16 1oni h PRO 41 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1oni h PRO 41 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1oni h PRO 41 CO 0.82 0.00 -0.00 1.03 -0.21 0.00 0.00 178.00 179.64 1oni h SER 42 N 0.00 0.00 0.19 -2.05 0.87 -1.91 -3.39 113.55 107.26 1oni h SER 42 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1oni h SER 42 Cb 0.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1oni h SER 42 CO 0.00 0.06 0.00 -1.54 -0.53 0.00 0.00 176.83 174.83 1oni n SER 43 N -2.36 0.60 0.00 6.23 3.41 -1.19 -4.85 113.62 115.46 1oni n SER 43 Ca -0.00 0.74 0.00 0.00 -0.26 0.00 0.00 58.87 59.35 1oni n SER 43 Cb 0.00 -0.84 0.00 0.00 -0.26 0.00 0.00 64.21 63.12 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 -0.97 0.15 3.69 5.00 0.00 -0.53 -4.97 105.19 107.57 1oni n GLY 44 Ca -0.01 0.00 -0.25 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 -1.15 2.49 0.41 1.61 -0.21 -1.26 -4.81 119.66 116.74 1oni s GLN 45 Ca 0.00 -1.13 -0.27 0.00 0.02 0.00 0.00 55.36 53.99 1oni s GLN 45 Cb 0.00 -2.38 -0.10 0.00 1.00 0.00 0.00 33.01 31.54 1oni s GLN 45 CO 0.00 0.44 1.43 -0.51 -2.12 0.00 0.00 175.29 174.53 1oni s LEU 46 N -3.17 4.23 0.66 2.90 1.43 -1.26 -0.95 118.68 122.52 1oni s LEU 46 Ca 0.29 2.93 -0.15 0.00 -1.03 0.00 0.00 54.13 56.17 1oni s LEU 46 Cb -0.09 -3.80 0.00 0.00 0.03 0.00 0.00 46.19 42.33 1oni s LEU 46 CO 0.20 -0.98 1.10 0.68 0.23 0.00 0.00 176.35 177.59 1oni s VAL 47 N -1.17 3.31 0.46 -1.59 -7.23 -0.13 -4.83 120.40 109.22 1oni s VAL 47 Ca 0.56 0.59 -0.08 0.00 -1.81 0.00 0.00 61.98 61.24 1oni s VAL 47 Cb -0.44 -3.12 -0.05 0.00 0.56 0.00 0.00 36.38 33.33 1oni s VAL 47 CO 0.58 -0.39 0.81 -0.44 -0.31 0.00 0.00 175.10 175.35 1oni s SER 48 N -2.67 6.38 0.00 4.85 0.01 -1.26 -4.58 113.70 116.43 1oni s SER 48 Ca 0.66 1.08 0.00 0.00 1.31 0.00 0.00 55.95 59.00 1oni s SER 48 Cb -0.20 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.72 1oni s SER 48 CO 0.42 -0.53 0.00 0.61 0.41 0.00 0.00 173.24 174.15 1oni n GLY 49 N -1.88 1.17 7.00 3.44 0.00 -1.26 -4.76 105.19 108.90 1oni n GLY 49 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1oni n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oni n GLY 50 N -0.29 -0.85 0.38 -0.02 0.00 -1.26 -4.48 105.19 98.66 1oni n GLY 50 Ca 0.00 -1.18 -0.01 0.00 0.00 0.00 0.00 46.02 44.83 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 1.22 0.14 1.61 3.04 -1.96 -0.32 116.25 119.97 1oni h VAL 51 Ca 0.00 -0.45 -0.01 0.00 -1.01 0.00 0.00 66.70 65.23 1oni h VAL 51 Cb 0.00 -0.22 0.00 0.00 -2.01 0.00 0.00 31.29 29.06 1oni h VAL 51 CO 0.00 0.24 -0.07 0.00 -1.01 0.00 0.00 177.57 176.73 1oni h ALA 52 N 1.39 -0.19 -0.40 3.17 0.00 -1.95 0.18 119.26 121.47 1oni h ALA 52 Ca 0.38 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 55.09 1oni h ALA 52 Cb -0.08 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1oni h ALA 52 CO -0.10 -0.57 -0.28 0.93 0.00 0.00 0.00 179.25 179.23 1oni h GLU 53 N -0.26 0.84 -0.31 0.00 4.39 -1.71 -2.38 114.58 115.15 1oni h GLU 53 Ca -0.02 -0.38 -0.13 0.00 0.34 0.00 0.00 59.36 59.17 1oni h GLU 53 Cb 0.21 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1oni h GLU 53 CO 0.03 1.02 -0.35 0.93 -1.16 0.00 0.00 179.01 179.47 1oni h GLU 54 N 0.72 0.70 -0.32 2.33 5.08 -0.98 -2.02 114.58 120.08 1oni h GLU 54 Ca 0.08 -0.34 -0.04 0.00 -1.00 0.00 0.00 59.36 58.07 1oni h GLU 54 Cb 0.83 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 1oni h GLU 54 CO 0.07 0.95 0.05 0.00 -1.00 0.00 0.00 179.01 179.08 1oni h ALA 55 N 1.02 0.43 -0.43 3.43 0.00 -0.52 0.85 119.26 124.03 1oni h ALA 55 Ca 0.06 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.82 1oni h ALA 55 Cb 0.88 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.50 1oni h ALA 55 CO 0.08 0.12 0.17 0.87 0.00 0.00 0.00 179.25 180.49 1oni h LYS 56 N 0.36 0.34 -0.39 0.00 1.57 -1.34 -1.19 116.57 115.91 1oni h LYS 56 Ca 0.10 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.78 1oni h LYS 56 Cb 0.35 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1oni h LYS 56 CO 0.01 0.22 -0.07 0.37 -0.57 0.00 0.00 179.45 179.41 1oni h GLN 57 N 0.35 0.73 -0.82 3.15 5.75 -1.06 -1.31 115.11 121.90 1oni h GLN 57 Ca 0.20 -0.27 0.03 0.00 -0.15 0.00 0.00 58.65 58.46 1oni h GLN 57 Cb 0.17 -0.05 -0.05 0.00 1.07 0.00 0.00 27.48 28.63 1oni h GLN 57 CO -0.19 0.86 0.53 0.00 -2.65 0.00 0.00 178.83 177.38 1oni h ALA 58 N 0.85 1.08 -0.48 3.38 0.00 -0.66 -0.51 119.26 122.92 1oni h ALA 58 Ca 0.10 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1oni h ALA 58 Cb 0.58 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1oni h ALA 58 CO 0.03 0.38 -0.16 -0.07 0.00 0.00 0.00 179.25 179.43 1oni h LEU 59 N 1.05 0.93 -0.49 0.00 3.38 -1.06 -1.23 115.31 117.89 1oni h LEU 59 Ca 0.32 -0.32 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1oni h LEU 59 Cb -0.02 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1oni h LEU 59 CO -0.10 1.08 0.27 0.11 0.09 0.00 0.00 178.44 179.88 1oni h LYS 60 N 0.81 0.68 -0.43 1.13 1.57 -0.85 -0.23 116.57 119.25 1oni h LYS 60 Ca 0.12 -0.08 0.06 0.00 -1.87 0.00 0.00 60.65 58.88 1oni h LYS 60 Cb 0.70 -0.13 -0.05 0.00 0.08 0.00 0.00 32.23 32.83 1oni h LYS 60 CO 0.05 0.54 0.14 -0.91 -0.57 0.00 0.00 179.45 178.70 1oni h ASN 61 N 0.65 0.14 -0.89 0.86 2.35 -0.94 -0.95 115.58 116.80 1oni h ASN 61 Ca 0.17 0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.96 1oni h ASN 61 Cb 0.05 0.04 -0.04 0.00 0.05 0.00 0.00 38.32 38.43 1oni h ASN 61 CO -0.03 0.11 0.49 -0.03 -1.65 0.00 0.00 177.43 176.32 1oni h MET 62 N 0.31 1.24 -0.82 0.81 4.05 -0.91 -2.42 114.93 117.19 1oni h MET 62 Ca 0.20 -0.14 -0.02 0.00 -0.28 0.00 0.00 59.70 59.46 1oni h MET 62 Cb 0.20 -0.24 -0.04 0.00 -0.80 0.00 0.00 31.60 30.72 1oni h MET 62 CO -0.22 0.90 0.43 0.78 0.23 0.00 0.00 176.91 179.04 1oni h GLY 63 N 1.25 1.24 1.53 1.39 0.00 -0.35 -0.85 103.07 107.27 1oni h GLY 63 Ca 0.31 -0.58 -0.11 0.00 0.00 0.00 0.00 47.33 46.96 1oni h GLY 63 CO -0.05 0.55 -0.29 0.83 0.00 0.00 0.00 176.54 177.58 1oni h GLU 64 N 1.15 0.54 -0.29 4.80 4.39 -0.79 -0.26 114.58 124.11 1oni h GLU 64 Ca 0.29 -0.22 -0.08 0.00 0.34 0.00 0.00 59.36 59.69 1oni h GLU 64 Cb 0.06 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 1oni h GLU 64 CO -0.04 0.77 -0.12 0.82 -1.16 0.00 0.00 179.01 179.28 1oni h ILE 65 N 0.46 1.29 -0.42 3.13 2.04 -1.16 -1.62 117.51 121.23 1oni h ILE 65 Ca 0.06 -1.20 0.00 0.00 1.00 0.00 0.00 64.86 64.72 1oni h ILE 65 Cb 0.74 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 1oni h ILE 65 CO 0.06 0.38 0.28 -0.07 0.00 0.00 0.00 178.15 178.80 1oni h LEU 66 N 0.34 0.49 -0.78 1.44 3.38 -0.94 -2.42 115.31 116.83 1oni h LEU 66 Ca 0.07 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 58.08 1oni h LEU 66 Cb 0.63 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.20 1oni h LEU 66 CO 0.04 0.37 0.45 0.50 0.09 0.00 0.00 178.44 179.89 1oni h LYS 67 N 0.57 0.79 0.00 1.13 3.64 -0.89 0.47 116.57 122.28 1oni h LYS 67 Ca 0.15 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 1oni h LYS 67 Cb -0.05 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.59 1oni h LYS 67 CO -0.03 0.52 -0.11 0.00 -2.27 0.00 0.00 179.45 177.56 1oni h ALA 68 N 1.40 1.14 -0.45 5.00 0.00 -0.82 -1.02 119.26 124.51 1oni h ALA 68 Ca 0.35 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1oni h ALA 68 Cb 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1oni h ALA 68 CO -0.20 0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.19 1oni n ALA 69 N -2.21 2.91 -1.27 0.00 0.00 -0.30 -4.92 120.51 114.72 1oni n ALA 69 Ca -0.01 -1.08 -0.06 0.00 0.00 0.00 0.00 53.44 52.29 1oni n ALA 69 Cb 0.28 -1.02 -0.02 0.00 0.00 0.00 0.00 19.45 18.68 1oni n ALA 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oni n GLY 70 N 0.88 0.79 3.65 0.00 0.00 -0.39 -4.99 105.19 105.13 1oni n GLY 70 Ca 0.18 -0.76 -0.29 0.00 0.00 0.00 0.00 46.02 45.14 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 -1.16 0.15 0.27 0.00 5.68 -1.26 -2.96 116.55 117.28 1oni n ASP 72 Ca -0.12 -0.68 0.15 0.00 -0.50 0.00 0.00 54.79 53.64 1oni n ASP 72 Cb 0.67 0.00 0.78 0.00 -1.14 0.00 0.00 41.12 41.42 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 0.68 0.00 0.00 2.11 -1.00 -1.93 -1.89 116.94 114.90 1oni h PHE 73 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1oni h PHE 73 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1oni h PHE 73 CO 0.00 0.09 0.00 1.79 -1.61 0.00 0.00 178.31 178.58 1oni h THR 74 N 0.00 0.00 0.00 -1.55 1.35 -1.96 -2.41 112.91 108.34 1oni h THR 74 Ca -0.00 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 1oni h THR 74 Cb 0.34 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1oni h THR 74 CO 0.01 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 175.87 1oni n ASN 75 N -2.87 0.22 -4.72 5.36 3.02 -0.71 -4.86 115.26 110.69 1oni n ASN 75 Ca 0.00 0.52 -0.42 0.00 -0.03 0.00 0.00 54.58 54.66 1oni n ASN 75 Cb 0.25 -0.58 -0.04 0.00 -0.61 0.00 0.00 39.78 38.80 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 -3.03 4.15 -0.07 2.41 1.01 -0.91 -1.37 120.40 122.59 1oni s VAL 76 Ca 0.13 1.68 0.10 0.00 0.00 0.00 0.00 61.98 63.88 1oni s VAL 76 Cb 0.17 -4.07 -0.14 0.00 0.00 0.00 0.00 36.38 32.33 1oni s VAL 76 CO 0.53 0.20 0.24 1.33 0.00 0.00 0.00 175.10 177.40 1oni n VAL 77 N 3.21 0.00 -3.68 2.92 0.24 -0.16 -4.46 118.33 116.39 1oni n VAL 77 Ca 0.05 -0.23 -0.11 0.00 -2.04 0.00 0.00 64.34 62.01 1oni n VAL 77 Cb 0.47 0.38 -0.09 0.00 -1.47 0.00 0.00 33.84 33.14 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 -2.55 0.57 0.20 7.34 2.47 -1.15 -1.54 119.74 125.08 1oni s LYS 78 Ca -0.02 0.86 0.07 0.00 -1.56 0.00 0.00 55.97 55.31 1oni s LYS 78 Cb 0.06 0.17 -0.05 0.00 -1.46 0.00 0.00 37.83 36.55 1oni s LYS 78 CO 0.39 -0.12 -0.13 0.95 0.16 0.00 0.00 175.35 176.61 1oni s THR 79 N 0.91 1.64 -0.09 3.43 -4.23 -0.46 -0.98 115.64 115.87 1oni s THR 79 Ca -0.05 -2.18 0.02 0.00 -1.18 0.00 0.00 61.69 58.30 1oni s THR 79 Cb -0.05 -2.04 0.01 0.00 1.34 0.00 0.00 72.50 71.75 1oni s THR 79 CO -0.08 -0.60 -0.15 -0.89 -0.54 0.00 0.00 174.62 172.36 1oni s THR 80 N -3.03 1.42 -0.28 3.99 2.01 -0.42 -1.90 115.64 117.43 1oni s THR 80 Ca 0.22 -0.62 -0.04 0.00 0.31 0.00 0.00 61.69 61.56 1oni s THR 80 Cb 0.00 -1.28 0.03 0.00 0.01 0.00 0.00 72.50 71.26 1oni s THR 80 CO 0.06 0.42 0.01 -0.69 -0.69 0.00 0.00 174.62 173.73 1oni s VAL 81 N 0.75 3.30 -0.21 3.82 1.01 -0.58 -1.61 120.40 126.89 1oni s VAL 81 Ca -0.12 -0.98 -0.07 0.00 0.00 0.00 0.00 61.98 60.81 1oni s VAL 81 Cb -0.16 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 1oni s VAL 81 CO 0.02 0.09 0.06 -0.76 0.00 0.00 0.00 175.10 174.51 1oni s LEU 82 N 1.37 3.61 0.09 3.92 1.43 0.27 -2.56 118.68 126.81 1oni s LEU 82 Ca -0.00 -0.05 0.08 0.00 -1.03 0.00 0.00 54.13 53.13 1oni s LEU 82 Cb -0.17 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 1oni s LEU 82 CO -0.01 0.09 -0.18 -0.76 0.23 0.00 0.00 176.35 175.71 1oni s LEU 83 N 0.88 2.65 0.46 1.79 1.43 -0.51 -1.10 118.68 124.28 1oni s LEU 83 Ca 0.03 -0.51 0.26 0.00 -1.03 0.00 0.00 54.13 52.88 1oni s LEU 83 Cb -0.14 -1.52 0.64 0.00 0.03 0.00 0.00 46.19 45.19 1oni s LEU 83 CO 0.02 0.21 1.72 0.00 0.23 0.00 0.00 176.35 178.53 1oni h ALA 84 N 4.07 0.99 -2.07 4.21 0.00 -1.62 -1.14 119.26 123.69 1oni h ALA 84 Ca -0.49 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.25 1oni h ALA 84 Cb 1.16 -0.00 -0.29 0.00 0.00 0.00 0.00 17.79 18.65 1oni h ALA 84 CO 0.46 0.04 -0.46 0.34 0.00 0.00 0.00 179.25 179.63 1oni s ASP 85 N -6.08 0.14 0.58 0.00 -1.08 -1.26 -4.83 116.67 104.14 1oni s ASP 85 Ca 0.05 0.41 0.28 0.00 -0.52 0.00 0.00 52.55 52.77 1oni s ASP 85 Cb 0.06 1.15 1.56 0.00 -1.46 0.00 0.00 42.92 44.23 1oni s ASP 85 CO 0.64 -0.28 2.03 -0.29 0.52 0.00 0.00 175.17 177.78 1oni h ILE 86 N 6.19 0.48 0.00 4.11 6.09 -1.93 0.45 117.51 132.90 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 0.76 0.00 0.00 0.47 0.00 0.00 36.82 39.19 1oni h ILE 86 CO 0.23 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.90 1oni n ASN 87 N -3.86 0.00 -0.11 2.19 5.03 -1.26 -2.67 115.26 114.57 1oni n ASN 87 Ca 0.05 0.47 0.14 0.00 0.87 0.00 0.00 54.58 56.10 1oni n ASN 87 Cb 0.46 -0.48 0.76 0.00 -1.02 0.00 0.00 39.78 39.50 1oni n ASN 87 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1oni n ASP 88 N -1.48 0.35 -0.18 6.41 8.00 0.15 -4.40 116.55 125.40 1oni n ASP 88 Ca 0.05 -1.21 -0.03 0.00 0.71 0.00 0.00 54.79 54.31 1oni n ASP 88 Cb 0.21 -0.01 0.07 0.00 -0.02 0.00 0.00 41.12 41.37 1oni n ASP 88 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1oni h PHE 89 N 0.53 0.40 -0.51 1.24 0.04 -1.70 -0.39 116.94 116.56 1oni h PHE 89 Ca 0.00 0.02 0.07 0.00 2.80 0.00 0.00 57.97 60.86 1oni h PHE 89 Cb 0.11 -0.10 -0.06 0.00 2.20 0.00 0.00 35.95 38.11 1oni h PHE 89 CO 0.01 0.15 0.19 -0.97 -0.60 0.00 0.00 178.31 177.09 1oni h ASN 90 N 0.43 0.20 -0.18 2.17 -0.00 -1.88 0.39 115.58 116.71 1oni h ASN 90 Ca 0.25 0.06 -0.02 0.00 -0.00 0.00 0.00 56.30 56.60 1oni h ASN 90 Cb 0.25 0.04 -0.01 0.00 -0.00 0.00 0.00 38.32 38.59 1oni h ASN 90 CO -0.23 0.14 0.05 0.74 -0.00 0.00 0.00 177.43 178.13 1oni h THR 91 N 0.37 1.19 -0.56 -3.57 2.02 -1.78 -2.73 112.91 107.85 1oni h THR 91 Ca 0.24 -0.61 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 1oni h THR 91 Cb 0.25 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 1oni h THR 91 CO -0.24 0.19 0.32 0.58 0.37 0.00 0.00 175.52 176.74 1oni h VAL 92 N 0.11 1.18 -0.89 3.16 2.07 -0.68 -2.89 116.25 118.30 1oni h VAL 92 Ca 0.06 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1oni h VAL 92 Cb 0.24 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.43 1oni h VAL 92 CO -0.00 0.19 0.57 0.78 0.02 0.00 0.00 177.57 179.13 1oni h ASN 93 N 0.75 1.05 -0.72 0.57 2.35 -0.16 0.33 115.58 119.76 1oni h ASN 93 Ca 0.20 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 1oni h ASN 93 Cb 0.03 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.10 1oni h ASN 93 CO -0.03 0.78 0.36 -0.33 -1.65 0.00 0.00 177.43 176.56 1oni h GLU 94 N 1.22 1.02 -0.08 0.81 4.39 -1.31 -1.84 114.58 118.79 1oni h GLU 94 Ca 0.33 -0.14 -0.07 0.00 0.34 0.00 0.00 59.36 59.81 1oni h GLU 94 Cb -0.10 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.36 1oni h GLU 94 CO -0.07 0.79 -0.23 0.82 -1.16 0.00 0.00 179.01 179.16 1oni h ILE 95 N 0.99 1.41 -0.88 3.13 2.04 -1.30 -3.21 117.51 119.70 1oni h ILE 95 Ca 0.25 -1.58 0.19 0.00 1.00 0.00 0.00 64.86 64.72 1oni h ILE 95 Cb 0.09 2.23 -0.11 0.00 -0.74 0.00 0.00 36.82 38.28 1oni h ILE 95 CO -0.03 0.45 0.42 0.22 0.00 0.00 0.00 178.15 179.21 1oni h TYR 96 N -0.18 0.72 0.00 1.37 3.20 -0.82 0.13 116.97 121.39 1oni h TYR 96 Ca -0.01 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.90 1oni h TYR 96 Cb 0.84 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.93 1oni h TYR 96 CO 0.12 0.06 0.00 1.63 -1.64 0.00 0.00 178.16 178.32 1oni n LYS 97 N -4.96 0.12 0.22 1.82 5.02 -0.70 -0.74 118.16 118.94 1oni n LYS 97 Ca 0.20 0.31 0.12 0.00 -2.02 0.00 0.00 58.31 56.92 1oni n LYS 97 Cb 0.56 -1.71 0.31 0.00 -0.02 0.00 0.00 35.03 34.17 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 -0.75 -3.34 115.11 117.20 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 0.38 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.11 1oni h GLN 98 CO 0.00 0.10 -2.03 0.66 -0.67 0.00 0.00 178.83 176.89 1oni n TYR 99 N -3.15 0.00 -3.18 2.96 4.01 -0.91 -4.78 117.16 112.11 1oni n TYR 99 Ca 0.02 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.31 1oni n TYR 99 Cb 0.49 -0.67 -0.03 0.00 -0.31 0.00 0.00 39.34 38.82 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 -2.34 3.45 0.10 -0.72 0.40 0.08 -4.83 117.98 114.12 1oni s PHE 100 Ca -0.25 -1.64 0.08 0.00 -0.60 0.00 0.00 56.93 54.51 1oni s PHE 100 Cb 0.09 -3.98 -0.20 0.00 0.51 0.00 0.00 43.02 39.44 1oni s PHE 100 CO 0.35 -1.18 1.25 0.87 0.70 0.00 0.00 175.22 177.21 1oni h LYS 101 N 8.34 0.00 -2.36 0.44 1.57 -1.83 -3.38 116.57 119.35 1oni h LYS 101 Ca 0.05 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 59.00 1oni h LYS 101 Cb 1.05 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.29 1oni h LYS 101 CO 0.92 0.96 0.53 -1.54 -0.57 0.00 0.00 179.45 179.74 1oni s SER 102 N -6.67 -0.11 -1.22 0.86 1.04 -1.26 -4.99 113.70 101.35 1oni s SER 102 Ca 0.01 -0.49 -0.11 0.00 0.48 0.00 0.00 55.95 55.85 1oni s SER 102 Cb 0.10 0.48 -0.01 0.00 0.10 0.00 0.00 66.02 66.69 1oni s SER 102 CO 0.82 -0.91 0.72 -3.20 0.98 0.00 0.00 173.24 171.65 1oni n ASN 103 N -0.71 -3.57 -4.75 7.02 4.05 -1.26 -4.83 115.26 111.21 1oni n ASN 103 Ca -0.05 -0.93 -0.37 0.00 0.45 0.00 0.00 54.58 53.68 1oni n ASN 103 Cb 0.60 -3.70 0.03 0.00 1.23 0.00 0.00 39.78 37.95 1oni n ASN 103 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 1oni s PHE 104 N -3.59 2.39 0.90 1.20 0.40 -1.26 -4.98 117.98 113.04 1oni s PHE 104 Ca 0.28 1.48 -0.10 0.00 -0.60 0.00 0.00 56.93 57.98 1oni s PHE 104 Cb -0.09 -3.57 0.14 0.00 0.51 0.00 0.00 43.02 40.01 1oni s PHE 104 CO 0.84 -2.38 1.13 -2.14 0.70 0.00 0.00 175.22 173.37 1oni s PRO 105 N -3.16 1.11 0.74 0.24 0.02 -1.26 -5.00 135.00 127.70 1oni s PRO 105 Ca 0.75 1.42 -0.14 0.00 0.02 0.00 0.00 61.00 63.05 1oni s PRO 105 Cb -0.33 -1.75 0.04 0.00 0.02 0.00 0.00 34.50 32.48 1oni s PRO 105 CO 0.37 -2.52 1.17 0.00 -0.33 0.00 0.00 177.00 175.69 1oni s ALA 106 N -2.69 2.13 -0.01 -1.55 0.00 -0.59 -4.87 121.76 114.18 1oni s ALA 106 Ca 0.66 0.72 -0.14 0.00 0.00 0.00 0.00 51.96 53.20 1oni s ALA 106 Cb -0.22 -3.42 0.02 0.00 0.00 0.00 0.00 23.12 19.50 1oni s ALA 106 CO 0.58 -1.84 0.29 0.50 0.00 0.00 0.00 175.76 175.29 1oni s ARG 107 N -4.12 0.67 0.07 0.00 3.52 -1.26 -1.35 118.95 116.48 1oni s ARG 107 Ca 0.71 -0.24 0.10 0.00 -0.13 0.00 0.00 55.73 56.16 1oni s ARG 107 Cb -0.25 0.29 -0.03 0.00 -1.56 0.00 0.00 34.95 33.40 1oni s ARG 107 CO 0.47 -0.18 -0.26 0.00 -0.81 0.00 0.00 175.30 174.51 1oni s ALA 108 N -1.45 2.23 -0.15 6.12 0.00 -0.80 -4.98 121.76 122.74 1oni s ALA 108 Ca -0.13 -1.30 -0.12 0.00 0.00 0.00 0.00 51.96 50.41 1oni s ALA 108 Cb -0.05 -0.43 0.04 0.00 0.00 0.00 0.00 23.12 22.68 1oni s ALA 108 CO 0.03 0.52 0.38 0.00 0.00 0.00 0.00 175.76 176.69 1oni s ALA 109 N -0.88 -0.95 -0.01 0.00 0.00 -1.26 -1.52 121.76 117.13 1oni s ALA 109 Ca 0.12 1.17 -0.29 0.00 0.00 0.00 0.00 51.96 52.96 1oni s ALA 109 Cb -0.10 -0.69 0.10 0.00 0.00 0.00 0.00 23.12 22.43 1oni s ALA 109 CO 0.03 -0.20 1.00 1.52 0.00 0.00 0.00 175.76 178.11 1oni s TYR 110 N 0.53 -0.24 -0.16 0.00 1.13 -1.06 -5.01 117.35 112.54 1oni s TYR 110 Ca -0.03 0.09 -0.14 0.00 -1.41 0.00 0.00 57.07 55.59 1oni s TYR 110 Cb -0.04 0.55 -0.05 0.00 -1.10 0.00 0.00 41.96 41.32 1oni s TYR 110 CO -0.03 -0.51 0.29 -1.14 -2.51 0.00 0.00 175.55 171.65 1oni s GLN 111 N -2.96 4.24 0.55 -3.49 0.74 -1.26 -1.42 119.66 116.06 1oni s GLN 111 Ca 0.08 0.09 0.09 0.00 0.05 0.00 0.00 55.36 55.67 1oni s GLN 111 Cb -0.01 -3.42 0.07 0.00 1.10 0.00 0.00 33.01 30.76 1oni s GLN 111 CO -0.06 0.25 0.73 0.14 -0.55 0.00 0.00 175.29 175.81 1oni s VAL 112 N 0.42 2.21 0.05 1.34 -7.23 -0.43 -4.93 120.40 111.84 1oni s VAL 112 Ca 0.16 -1.04 0.05 0.00 -1.81 0.00 0.00 61.98 59.34 1oni s VAL 112 Cb -0.13 -2.25 -0.24 0.00 0.56 0.00 0.00 36.38 34.32 1oni s VAL 112 CO 0.04 0.00 1.03 0.00 -0.31 0.00 0.00 175.10 175.86 1oni h ALA 113 N 0.28 0.41 -1.56 1.32 0.00 -1.94 -3.44 119.26 114.33 1oni h ALA 113 Ca -0.32 -1.08 0.08 0.00 0.00 0.00 0.00 54.91 53.59 1oni h ALA 113 Cb 1.29 0.11 -0.24 0.00 0.00 0.00 0.00 17.79 18.94 1oni h ALA 113 CO 0.43 1.28 0.53 0.00 0.00 0.00 0.00 179.25 181.48 1oni s ALA 114 N -2.66 -1.95 0.30 0.00 0.00 -1.26 -5.07 121.76 111.13 1oni s ALA 114 Ca -0.03 1.68 0.10 0.00 0.00 0.00 0.00 51.96 53.71 1oni s ALA 114 Cb 0.09 -0.96 -0.05 0.00 0.00 0.00 0.00 23.12 22.20 1oni s ALA 114 CO 0.83 -0.28 -0.06 -0.51 0.00 0.00 0.00 175.76 175.74 1oni s LEU 115 N -0.68 2.91 0.35 0.00 1.43 -1.26 -5.07 118.68 116.36 1oni s LEU 115 Ca -0.00 -0.92 -0.28 0.00 -1.03 0.00 0.00 54.13 51.90 1oni s LEU 115 Cb -0.02 -1.35 -0.12 0.00 0.03 0.00 0.00 46.19 44.73 1oni s LEU 115 CO -0.01 -0.09 1.30 -2.65 0.23 0.00 0.00 176.35 175.13 1oni n PRO 116 N -0.83 2.15 -1.38 1.29 -0.02 -1.26 -1.85 135.00 133.09 1oni n PRO 116 Ca -0.05 0.75 -0.13 0.00 -2.02 0.00 0.00 63.50 62.05 1oni n PRO 116 Cb 0.61 -2.36 -0.06 0.00 -0.02 0.00 0.00 33.50 31.67 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 0.49 -1.33 -2.02 -0.52 5.02 -1.26 -2.11 118.16 116.41 1oni n LYS 117 Ca 0.05 0.94 -0.13 0.00 -2.02 0.00 0.00 58.31 57.14 1oni n LYS 117 Cb 0.37 -5.18 -0.02 0.00 -0.02 0.00 0.00 35.03 30.18 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 -0.52 0.24 3.79 0.72 0.00 -0.77 -5.00 105.19 103.64 1oni n GLY 118 Ca -0.13 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.24 1oni n GLY 118 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1oni s SER 119 N -2.52 4.37 0.02 1.61 1.04 -0.90 -4.93 113.70 112.38 1oni s SER 119 Ca 0.00 1.40 0.23 0.00 0.48 0.00 0.00 55.95 58.06 1oni s SER 119 Cb 0.00 -2.14 0.12 0.00 0.10 0.00 0.00 66.02 64.10 1oni s SER 119 CO 0.00 -2.06 1.12 0.54 0.98 0.00 0.00 173.24 173.82 1oni n ARG 120 N -3.50 0.11 -3.62 4.02 5.12 -1.26 -4.43 116.66 113.10 1oni n ARG 120 Ca 0.07 -0.00 -0.15 0.00 -1.93 0.00 0.00 57.85 55.84 1oni n ARG 120 Cb 0.56 -1.53 -0.07 0.00 -1.16 0.00 0.00 32.46 30.25 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 -3.07 0.00 -0.02 0.55 2.07 -1.26 -1.82 121.20 117.64 1oni s ILE 121 Ca 0.07 -0.01 0.01 0.00 -1.41 0.00 0.00 60.65 59.32 1oni s ILE 121 Cb 0.16 -0.97 0.02 0.00 0.13 0.00 0.00 42.46 41.80 1oni s ILE 121 CO 0.79 -0.00 -0.03 -0.70 -1.91 0.00 0.00 174.94 173.09 1oni s GLU 122 N 0.06 0.45 -0.13 3.50 2.12 -0.26 -4.42 118.70 120.01 1oni s GLU 122 Ca -0.02 -0.05 0.01 0.00 0.36 0.00 0.00 54.97 55.27 1oni s GLU 122 Cb -0.04 -0.52 0.02 0.00 0.26 0.00 0.00 34.13 33.85 1oni s GLU 122 CO 0.03 -0.04 -0.14 0.42 -0.54 0.00 0.00 175.26 174.98 1oni s ILE 123 N 0.59 1.52 0.29 -3.70 1.01 -0.12 -0.57 121.20 120.22 1oni s ILE 123 Ca -0.06 -0.62 0.07 0.00 0.00 0.00 0.00 60.65 60.04 1oni s ILE 123 Cb -0.10 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.92 1oni s ILE 123 CO -0.01 0.45 0.21 -1.83 0.00 0.00 0.00 174.94 173.76 1oni s GLU 124 N 1.28 2.76 0.13 2.79 -1.05 -0.63 -0.34 118.70 123.64 1oni s GLU 124 Ca 0.00 -1.21 -0.17 0.00 -0.15 0.00 0.00 54.97 53.44 1oni s GLU 124 Cb -0.14 -2.47 0.04 0.00 -0.44 0.00 0.00 34.13 31.13 1oni s GLU 124 CO -0.07 0.26 0.44 0.00 0.95 0.00 0.00 175.26 176.85 1oni s ALA 125 N -2.24 -1.05 -0.06 -0.84 0.00 -1.20 -1.31 121.76 115.07 1oni s ALA 125 Ca 0.36 0.04 0.05 0.00 0.00 0.00 0.00 51.96 52.41 1oni s ALA 125 Cb -0.07 0.74 -0.01 0.00 0.00 0.00 0.00 23.12 23.78 1oni s ALA 125 CO 0.25 -0.67 -0.22 0.08 0.00 0.00 0.00 175.76 175.19 1oni s VAL 126 N -3.80 1.86 0.15 0.00 1.01 -0.15 -1.15 120.40 118.32 1oni s VAL 126 Ca 0.03 -0.95 0.04 0.00 0.00 0.00 0.00 61.98 61.10 1oni s VAL 126 Cb 0.01 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 1oni s VAL 126 CO -0.12 0.52 -0.08 0.00 0.00 0.00 0.00 175.10 175.42 1oni s ALA 127 N -0.04 1.39 -0.10 5.51 0.00 -0.11 -0.99 121.76 127.43 1oni s ALA 127 Ca -0.05 -1.50 0.03 0.00 0.00 0.00 0.00 51.96 50.43 1oni s ALA 127 Cb -0.14 0.15 0.01 0.00 0.00 0.00 0.00 23.12 23.14 1oni s ALA 127 CO 0.04 -0.15 -0.18 0.42 0.00 0.00 0.00 175.76 175.88 1oni s ILE 128 N -3.41 1.67 0.27 0.00 -1.09 -0.47 -0.03 121.20 118.13 1oni s ILE 128 Ca 0.17 -0.77 -0.30 0.00 -2.23 0.00 0.00 60.65 57.53 1oni s ILE 128 Cb 0.04 -1.48 -0.10 0.00 -1.58 0.00 0.00 42.46 39.33 1oni s ILE 128 CO 0.01 0.47 1.39 -1.10 -1.23 0.00 0.00 174.94 174.48 1oni s GLN 129 N 0.65 4.30 0.96 2.79 -0.21 0.77 -4.78 119.66 124.14 1oni s GLN 129 Ca -0.13 2.26 -0.16 0.00 0.02 0.00 0.00 55.36 57.35 1oni s GLN 129 Cb -0.16 -3.10 0.22 0.00 1.00 0.00 0.00 33.01 30.97 1oni s GLN 129 CO 0.04 -0.35 1.28 0.41 -2.12 0.00 0.00 175.29 174.55 1oni n GLY 130 N 1.79 -1.57 3.86 3.09 0.00 -1.26 -4.79 105.19 106.31 1oni n GLY 130 Ca 0.05 -1.70 -0.31 0.00 0.00 0.00 0.00 46.02 44.06 1oni n GLY 130 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1oni s PRO 131 N -5.80 3.84 0.15 1.61 0.04 -1.26 -5.14 135.00 128.45 1oni s PRO 131 Ca 0.73 0.64 0.10 0.00 0.04 0.00 0.00 61.00 62.51 1oni s PRO 131 Cb -0.02 -2.30 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 1oni s PRO 131 CO 0.51 -0.11 -0.23 -0.51 0.04 0.00 0.00 177.00 176.70 1oni s LEU 132 N -3.91 2.37 0.05 -3.56 1.43 -1.26 -5.16 118.68 108.64 1oni s LEU 132 Ca 0.54 -0.79 -0.08 0.00 -1.03 0.00 0.00 54.13 52.77 1oni s LEU 132 Cb -0.10 -1.03 -0.00 0.00 0.03 0.00 0.00 46.19 45.08 1oni s LEU 132 CO 0.31 0.09 0.16 0.28 0.23 0.00 0.00 176.35 177.41 1oni s THR 133 N -1.46 0.13 -0.40 5.49 -1.32 -1.26 -5.03 115.64 111.78 1oni s THR 133 Ca 0.14 -1.06 0.23 0.00 -1.21 0.00 0.00 61.69 59.79 1oni s THR 133 Cb -0.09 -1.04 -0.01 0.00 -1.51 0.00 0.00 72.50 69.86 1oni s THR 133 CO 0.07 -0.59 1.11 0.35 -2.21 0.00 0.00 174.62 173.36 1oni n THR 134 N 0.50 0.47 -2.31 5.08 -2.24 -1.26 -4.94 114.28 109.59 1oni n THR 134 Ca -0.18 -0.43 -0.42 0.00 -2.27 0.00 0.00 64.05 60.76 1oni n THR 134 Cb 0.60 -0.20 -0.03 0.00 -2.10 0.00 0.00 70.33 68.60 1oni n THR 134 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1oni s ALA 135 N -3.29 3.48 -1.58 6.98 0.00 -1.26 -4.88 121.76 121.21 1oni s ALA 135 Ca 0.02 1.00 0.00 0.00 0.00 0.00 0.00 51.96 52.98 1oni s ALA 135 Cb 0.11 -3.46 0.00 0.00 0.00 0.00 0.00 23.12 19.77 1oni s ALA 135 CO 0.77 -0.48 0.55 0.43 0.00 0.00 0.00 175.76 177.04 1oni n SER 136 N 3.19 0.29 0.00 0.00 7.64 -1.26 -5.23 113.62 118.25 1oni n SER 136 Ca 0.07 -1.40 0.00 0.00 1.01 0.00 0.00 58.87 58.56 1oni n SER 136 Cb 0.44 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.50 1oni n SER 136 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21