#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oni s SER 3 N 0.00 7.07 0.08 -3.46 1.04 -1.26 -5.06 113.70 112.11 1oni s SER 3 Ca 0.00 2.43 0.05 0.00 0.48 0.00 0.00 55.95 58.92 1oni s SER 3 Cb 0.00 -2.64 -0.04 0.00 0.10 0.00 0.00 66.02 63.45 1oni s SER 3 CO 0.00 -0.30 -0.05 -0.76 0.98 0.00 0.00 173.24 173.11 1oni s LEU 4 N -1.59 3.24 -0.07 2.42 1.43 -1.26 -5.11 118.68 117.74 1oni s LEU 4 Ca 0.46 -0.26 -0.21 0.00 -1.03 0.00 0.00 54.13 53.09 1oni s LEU 4 Cb -0.35 -1.98 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 1oni s LEU 4 CO 0.46 0.19 0.62 -0.63 0.23 0.00 0.00 176.35 177.22 1oni s ILE 5 N -1.22 5.06 -0.31 -0.59 1.09 -1.26 -5.01 121.20 118.96 1oni s ILE 5 Ca 0.22 1.28 -0.06 0.00 -1.10 0.00 0.00 60.65 60.99 1oni s ILE 5 Cb -0.11 -3.96 0.03 0.00 -1.06 0.00 0.00 42.46 37.35 1oni s ILE 5 CO 0.15 0.30 0.08 -0.60 -0.10 0.00 0.00 174.94 174.76 1oni s ARG 6 N 0.58 2.80 -0.14 2.79 3.52 -1.26 -3.79 118.95 123.45 1oni s ARG 6 Ca 0.33 -1.05 -0.03 0.00 -0.13 0.00 0.00 55.73 54.85 1oni s ARG 6 Cb -0.17 -3.37 -0.03 0.00 -1.56 0.00 0.00 34.95 29.82 1oni s ARG 6 CO 0.16 -0.56 -0.04 -0.98 -0.81 0.00 0.00 175.30 173.07 1oni s ARG 7 N 1.42 3.52 -0.19 5.12 1.70 0.11 -4.97 118.95 125.67 1oni s ARG 7 Ca -0.00 -0.51 -0.24 0.00 -0.47 0.00 0.00 55.73 54.51 1oni s ARG 7 Cb -0.18 -2.87 -0.01 0.00 -0.57 0.00 0.00 34.95 31.31 1oni s ARG 7 CO 0.02 0.33 0.79 0.08 -1.08 0.00 0.00 175.30 175.44 1oni s VAL 8 N 0.12 4.90 -0.09 4.99 1.01 -1.26 -0.96 120.40 129.11 1oni s VAL 8 Ca -0.01 1.53 -0.24 0.00 0.00 0.00 0.00 61.98 63.26 1oni s VAL 8 Cb -0.14 -4.09 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 1oni s VAL 8 CO 0.03 0.02 0.75 -0.63 0.00 0.00 0.00 175.10 175.27 1oni s ILE 9 N 2.24 4.99 -0.05 2.22 -1.09 -0.15 -5.00 121.20 124.36 1oni s ILE 9 Ca 0.36 1.54 -0.02 0.00 -2.23 0.00 0.00 60.65 60.29 1oni s ILE 9 Cb -0.16 -4.09 0.03 0.00 -1.58 0.00 0.00 42.46 36.67 1oni s ILE 9 CO 0.11 0.19 0.09 -0.55 -1.23 0.00 0.00 174.94 173.54 1oni s SER 10 N 0.92 0.80 -0.03 3.58 0.15 -1.26 -3.61 113.70 114.24 1oni s SER 10 Ca 0.39 0.15 0.00 0.00 0.70 0.00 0.00 55.95 57.19 1oni s SER 10 Cb -0.18 -0.00 0.03 0.00 -1.71 0.00 0.00 66.02 64.15 1oni s SER 10 CO 0.18 -0.22 0.00 0.28 1.20 0.00 0.00 173.24 174.67 1oni s THR 11 N 1.97 0.18 -0.74 6.45 -1.32 -1.26 -5.01 115.64 115.91 1oni s THR 11 Ca 0.01 0.09 0.12 0.00 -1.21 0.00 0.00 61.69 60.71 1oni s THR 11 Cb -0.12 -0.28 0.12 0.00 -1.51 0.00 0.00 72.50 70.71 1oni s THR 11 CO -0.04 0.15 1.39 0.00 -2.21 0.00 0.00 174.62 173.91 1oni n ALA 12 N 4.17 1.29 1.29 11.08 0.00 -1.26 -2.12 120.51 134.97 1oni n ALA 12 Ca -0.26 0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.37 1oni n ALA 12 Cb 0.50 -1.20 0.64 0.00 0.00 0.00 0.00 19.45 19.39 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 -1.79 0.39 -4.40 0.00 5.02 -1.26 -4.73 118.16 111.39 1oni n LYS 13 Ca 0.01 -0.08 -0.26 0.00 -2.02 0.00 0.00 58.31 55.96 1oni n LYS 13 Cb 0.09 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.50 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 -2.66 2.71 0.27 7.82 0.00 -0.90 -4.83 121.76 124.16 1oni s ALA 14 Ca 0.24 -1.67 -0.31 0.00 0.00 0.00 0.00 51.96 50.23 1oni s ALA 14 Cb 0.20 -0.42 -0.12 0.00 0.00 0.00 0.00 23.12 22.77 1oni s ALA 14 CO 0.50 0.39 1.52 -2.30 0.00 0.00 0.00 175.76 175.86 1oni n PRO 15 N -0.08 2.41 -0.91 0.00 -0.02 -1.26 -4.86 135.00 130.28 1oni n PRO 15 Ca -0.10 0.86 -0.32 0.00 -2.02 0.00 0.00 63.50 61.91 1oni n PRO 15 Cb 0.57 -2.59 0.15 0.00 -0.02 0.00 0.00 33.50 31.61 1oni n PRO 15 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1oni n GLY 16 N 2.19 -0.19 3.75 -1.23 0.00 -1.26 -4.92 105.19 103.53 1oni n GLY 16 Ca 0.10 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 1oni n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oni n ALA 17 N -3.73 1.91 -0.03 4.61 0.00 -1.26 -4.91 120.51 117.10 1oni n ALA 17 Ca 0.13 0.30 0.12 0.00 0.00 0.00 0.00 53.44 53.98 1oni n ALA 17 Cb 0.51 -2.36 0.28 0.00 0.00 0.00 0.00 19.45 17.88 1oni n ALA 17 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1oni n ILE 18 N 0.08 0.77 -3.40 0.00 -5.35 -1.26 -4.96 119.36 105.23 1oni n ILE 18 Ca 0.04 -0.87 -0.04 0.00 -0.27 0.00 0.00 62.75 61.61 1oni n ILE 18 Cb 0.39 0.67 0.01 0.00 -1.74 0.00 0.00 39.64 38.98 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 1.59 1.65 2.80 3.28 0.00 -1.26 -5.08 105.19 108.17 1oni n GLY 19 Ca 0.22 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.24 2.97 -4.08 1.61 -0.04 -1.26 -4.86 135.00 129.09 1oni n PRO 20 Ca -0.04 -2.76 -0.07 0.00 -0.04 0.00 0.00 63.50 60.59 1oni n PRO 20 Cb 0.27 -3.25 -0.10 0.00 -0.04 0.00 0.00 33.50 30.38 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 2.89 0.53 0.01 0.54 1.13 -1.26 -5.16 117.35 116.04 1oni s TYR 21 Ca 0.46 -1.06 -0.01 0.00 -1.41 0.00 0.00 57.07 55.06 1oni s TYR 21 Cb 0.13 -0.38 -0.04 0.00 -1.10 0.00 0.00 41.96 40.57 1oni s TYR 21 CO -0.07 -0.41 0.13 -1.12 -2.51 0.00 0.00 175.55 171.58 1oni s SER 22 N -2.93 6.00 0.32 -0.18 0.01 -1.26 -4.76 113.70 110.90 1oni s SER 22 Ca 0.09 0.21 0.08 0.00 1.31 0.00 0.00 55.95 57.64 1oni s SER 22 Cb 0.08 -1.79 0.78 0.00 0.21 0.00 0.00 66.02 65.30 1oni s SER 22 CO -0.09 0.24 1.80 1.56 0.41 0.00 0.00 173.24 177.16 1oni h GLN 23 N 3.76 0.71 -2.41 12.44 4.20 -1.95 -3.41 115.11 128.45 1oni h GLN 23 Ca -0.48 -0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.23 1oni h GLN 23 Cb 1.18 -0.16 -0.15 0.00 0.30 0.00 0.00 27.48 28.64 1oni h GLN 23 CO 0.67 0.47 0.36 0.00 -0.67 0.00 0.00 178.83 179.66 1oni s ALA 24 N -5.79 -1.75 -0.06 3.87 0.00 -1.24 -1.27 121.76 115.53 1oni s ALA 24 Ca -0.11 0.94 0.01 0.00 0.00 0.00 0.00 51.96 52.80 1oni s ALA 24 Cb 0.24 0.40 0.02 0.00 0.00 0.00 0.00 23.12 23.78 1oni s ALA 24 CO 0.80 -0.63 -0.08 0.08 0.00 0.00 0.00 175.76 175.93 1oni s VAL 25 N -2.87 0.84 -0.18 0.00 1.01 -0.61 -0.98 120.40 117.60 1oni s VAL 25 Ca 0.01 -0.28 -0.04 0.00 0.00 0.00 0.00 61.98 61.67 1oni s VAL 25 Cb -0.01 -0.81 -0.02 0.00 0.00 0.00 0.00 36.38 35.54 1oni s VAL 25 CO -0.07 0.30 -0.04 -0.22 0.00 0.00 0.00 175.10 175.07 1oni s LEU 26 N 0.91 3.12 -0.04 3.92 2.96 -0.14 -1.14 118.68 128.27 1oni s LEU 26 Ca -0.11 -0.23 -0.01 0.00 -0.22 0.00 0.00 54.13 53.56 1oni s LEU 26 Cb -0.15 -1.77 0.03 0.00 0.50 0.00 0.00 46.19 44.80 1oni s LEU 26 CO 0.01 0.09 0.04 -0.69 -1.32 0.00 0.00 176.35 174.48 1oni s VAL 27 N 0.81 0.00 -1.44 1.68 1.01 -0.33 -0.71 120.40 121.42 1oni s VAL 27 Ca -0.01 0.31 -0.02 0.00 0.00 0.00 0.00 61.98 62.26 1oni s VAL 27 Cb -0.15 -0.21 0.00 0.00 0.00 0.00 0.00 36.38 36.03 1oni s VAL 27 CO 0.02 0.17 0.28 -0.67 0.00 0.00 0.00 175.10 174.90 1oni n ASP 28 N 4.97 -0.17 0.00 3.32 2.03 -1.25 -1.41 116.55 124.05 1oni n ASP 28 Ca -0.10 -1.13 0.00 0.00 0.52 0.00 0.00 54.79 54.08 1oni n ASP 28 Cb 0.50 -2.44 0.00 0.00 -0.72 0.00 0.00 41.12 38.46 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 -4.49 0.00 -3.57 -0.67 1.74 -1.26 -4.99 116.66 103.42 1oni n ARG 29 Ca -0.30 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.41 1oni n ARG 29 Cb 0.68 -1.59 -0.08 0.00 -1.02 0.00 0.00 32.46 30.45 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 -2.68 5.32 -0.25 0.55 2.01 -0.50 -0.34 115.64 119.75 1oni s THR 30 Ca 0.00 0.43 -0.05 0.00 0.31 0.00 0.00 61.69 62.38 1oni s THR 30 Cb 0.00 -3.59 -0.01 0.00 0.01 0.00 0.00 72.50 68.91 1oni s THR 30 CO 0.00 0.36 0.02 -0.63 -0.69 0.00 0.00 174.62 173.68 1oni s ILE 31 N 0.72 3.73 -0.36 1.82 1.01 0.33 -1.18 121.20 127.26 1oni s ILE 31 Ca 0.13 -0.51 -0.16 0.00 0.00 0.00 0.00 60.65 60.11 1oni s ILE 31 Cb -0.13 -2.79 -0.00 0.00 0.01 0.00 0.00 42.46 39.55 1oni s ILE 31 CO 0.04 0.29 0.39 -0.31 0.00 0.00 0.00 174.94 175.34 1oni s TYR 32 N 1.51 3.20 -0.17 3.97 2.02 -0.29 -1.05 117.35 126.53 1oni s TYR 32 Ca 0.05 -0.12 -0.07 0.00 -0.37 0.00 0.00 57.07 56.56 1oni s TYR 32 Cb -0.15 -2.74 -0.04 0.00 -0.40 0.00 0.00 41.96 38.63 1oni s TYR 32 CO -0.00 -0.51 0.05 0.42 -1.57 0.00 0.00 175.55 173.94 1oni s ILE 33 N 2.05 4.73 0.84 2.71 1.01 -0.37 -1.58 121.20 130.59 1oni s ILE 33 Ca 0.12 -0.06 -0.12 0.00 0.00 0.00 0.00 60.65 60.59 1oni s ILE 33 Cb -0.17 -3.11 0.10 0.00 0.01 0.00 0.00 42.46 39.29 1oni s ILE 33 CO 0.12 0.48 1.16 -0.44 0.00 0.00 0.00 174.94 176.26 1oni s SER 34 N 0.18 3.51 0.17 3.58 0.01 -0.39 -3.06 113.70 117.70 1oni s SER 34 Ca 0.04 2.19 -0.32 0.00 1.31 0.00 0.00 55.95 59.17 1oni s SER 34 Cb -0.12 -2.57 -0.12 0.00 0.21 0.00 0.00 66.02 63.42 1oni s SER 34 CO 0.01 -2.71 1.75 0.61 0.41 0.00 0.00 173.24 173.30 1oni n GLY 35 N 0.08 1.53 3.77 3.44 0.00 -1.26 -4.58 105.19 108.16 1oni n GLY 35 Ca 0.12 0.66 -0.36 0.00 0.00 0.00 0.00 46.02 46.44 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 1.71 3.27 0.36 1.61 -1.52 0.20 -4.81 119.66 120.48 1oni s GLN 36 Ca 0.78 -0.27 0.09 0.00 -1.95 0.00 0.00 55.36 54.01 1oni s GLN 36 Cb -0.52 -3.01 -0.06 0.00 -0.22 0.00 0.00 33.01 29.19 1oni s GLN 36 CO 0.35 0.71 -0.02 0.96 -0.25 0.00 0.00 175.29 177.04 1oni s ILE 37 N -0.87 2.31 -0.24 1.08 -4.36 -1.26 -0.80 121.20 117.07 1oni s ILE 37 Ca 0.13 -2.06 -0.05 0.00 -0.26 0.00 0.00 60.65 58.42 1oni s ILE 37 Cb -0.12 -2.79 -0.17 0.00 1.25 0.00 0.00 42.46 40.63 1oni s ILE 37 CO 0.03 -0.15 2.73 0.61 0.24 0.00 0.00 174.94 178.41 1oni n GLY 38 N -0.91 2.69 3.78 6.27 0.00 -1.24 -4.16 105.19 111.62 1oni n GLY 38 Ca -0.04 -0.93 -0.39 0.00 0.00 0.00 0.00 46.02 44.65 1oni n GLY 38 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1oni s MET 39 N 1.80 4.48 -0.13 1.61 -1.94 -1.26 -1.56 119.30 122.30 1oni s MET 39 Ca 0.50 1.05 -0.28 0.00 -1.71 0.00 0.00 55.69 55.24 1oni s MET 39 Cb 0.22 -3.28 -0.01 0.00 2.01 0.00 0.00 34.83 33.76 1oni s MET 39 CO -0.01 0.52 0.96 0.34 -0.01 0.00 0.00 175.02 176.81 1oni s ASP 40 N -0.88 7.15 0.32 3.03 3.68 0.54 -4.73 116.67 125.78 1oni s ASP 40 Ca 0.35 1.41 0.14 0.00 2.13 0.00 0.00 52.55 56.59 1oni s ASP 40 Cb -0.22 -2.52 0.48 0.00 -1.45 0.00 0.00 42.92 39.21 1oni s ASP 40 CO 0.24 -0.45 1.65 1.55 0.13 0.00 0.00 175.17 178.30 1oni h PRO 41 N 7.18 0.00 -0.33 4.34 0.13 -1.88 2.44 132.00 143.88 1oni h PRO 41 Ca -0.30 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.81 1oni h PRO 41 Cb 1.14 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 1oni h PRO 41 CO 0.86 0.51 0.09 1.03 -0.23 0.00 0.00 178.00 180.26 1oni h SER 42 N 0.00 0.44 0.00 1.44 0.87 -1.92 -3.36 113.55 111.02 1oni h SER 42 Ca -0.01 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1oni h SER 42 Cb 1.03 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.88 1oni h SER 42 CO 0.07 0.44 -0.08 -1.54 -0.53 0.00 0.00 176.83 175.18 1oni n SER 43 N -4.36 0.40 0.00 6.23 3.41 -1.03 -5.06 113.62 113.21 1oni n SER 43 Ca 0.02 -0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.41 1oni n SER 43 Cb 0.17 0.52 0.00 0.00 -0.26 0.00 0.00 64.21 64.64 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 0.64 2.45 3.91 5.00 0.00 0.82 -5.00 105.19 113.02 1oni n GLY 44 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.27 3.36 0.17 1.61 -0.21 -1.25 -4.63 119.66 118.43 1oni s GLN 45 Ca 0.00 0.11 -0.31 0.00 0.02 0.00 0.00 55.36 55.18 1oni s GLN 45 Cb 0.00 -2.36 -0.09 0.00 1.00 0.00 0.00 33.01 31.56 1oni s GLN 45 CO 0.00 -0.33 1.39 -0.51 -2.12 0.00 0.00 175.29 173.72 1oni s LEU 46 N -4.79 4.39 0.69 2.90 1.43 -1.26 -0.34 118.68 121.69 1oni s LEU 46 Ca 0.49 2.44 -0.16 0.00 -1.03 0.00 0.00 54.13 55.87 1oni s LEU 46 Cb -0.10 -3.60 0.01 0.00 0.03 0.00 0.00 46.19 42.53 1oni s LEU 46 CO 0.44 -0.64 1.21 0.68 0.23 0.00 0.00 176.35 178.28 1oni s VAL 47 N 0.58 2.42 0.62 -1.59 -7.23 -0.60 -4.88 120.40 109.72 1oni s VAL 47 Ca 0.62 0.22 -0.10 0.00 -1.81 0.00 0.00 61.98 60.91 1oni s VAL 47 Cb -0.38 -2.88 -0.02 0.00 0.56 0.00 0.00 36.38 33.66 1oni s VAL 47 CO 0.35 -0.09 1.00 -0.94 -0.31 0.00 0.00 175.10 175.10 1oni s SER 48 N -1.91 5.98 0.00 4.85 1.04 -1.26 -4.61 113.70 117.79 1oni s SER 48 Ca 0.75 1.21 0.00 0.00 0.48 0.00 0.00 55.95 58.39 1oni s SER 48 Cb -0.30 -2.23 0.00 0.00 0.10 0.00 0.00 66.02 63.59 1oni s SER 48 CO 0.42 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 174.29 1oni n GLY 49 N -2.72 1.01 5.90 7.32 0.00 -1.26 -4.76 105.19 110.68 1oni n GLY 49 Ca 0.05 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.08 1oni n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oni n GLY 50 N -1.01 -1.93 0.43 -0.02 0.00 -1.26 -4.33 105.19 97.07 1oni n GLY 50 Ca 0.00 -1.36 0.24 0.00 0.00 0.00 0.00 46.02 44.89 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 -0.04 0.57 -0.25 1.61 3.04 -1.96 -1.89 116.25 117.33 1oni h VAL 51 Ca 0.00 -0.10 -0.06 0.00 -1.01 0.00 0.00 66.70 65.53 1oni h VAL 51 Cb 0.04 0.25 -0.01 0.00 -2.01 0.00 0.00 31.29 29.57 1oni h VAL 51 CO 0.00 0.05 -0.07 0.00 -1.01 0.00 0.00 177.57 176.55 1oni h ALA 52 N 1.58 0.34 -0.10 3.17 0.00 -1.94 -0.66 119.26 121.66 1oni h ALA 52 Ca 0.52 -0.27 -0.20 0.00 0.00 0.00 0.00 54.91 54.96 1oni h ALA 52 Cb 1.49 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 1oni h ALA 52 CO -0.17 0.15 -0.74 0.93 0.00 0.00 0.00 179.25 179.41 1oni h GLU 53 N 0.23 0.51 -0.67 0.00 4.39 -1.58 -2.61 114.58 114.86 1oni h GLU 53 Ca 0.06 -0.42 -0.05 0.00 0.34 0.00 0.00 59.36 59.29 1oni h GLU 53 Cb 0.54 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.25 1oni h GLU 53 CO 0.03 1.05 0.24 0.93 -1.16 0.00 0.00 179.01 180.09 1oni h GLU 54 N 0.35 1.02 -0.52 2.33 5.08 -1.32 -1.36 114.58 120.17 1oni h GLU 54 Ca -0.04 -0.21 -0.09 0.00 -1.00 0.00 0.00 59.36 58.02 1oni h GLU 54 Cb 1.34 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 1oni h GLU 54 CO 0.14 0.87 -0.05 0.00 -1.00 0.00 0.00 179.01 178.97 1oni h ALA 55 N 1.10 0.94 -0.45 3.43 0.00 -1.06 0.79 119.26 124.02 1oni h ALA 55 Ca 0.22 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1oni h ALA 55 Cb 0.26 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1oni h ALA 55 CO -0.01 0.63 0.01 -0.22 0.00 0.00 0.00 179.25 179.66 1oni h LYS 56 N 0.83 0.78 -0.34 0.00 3.64 -1.26 -2.19 116.57 118.03 1oni h LYS 56 Ca 0.15 -0.24 -0.11 0.00 -1.27 0.00 0.00 60.65 59.17 1oni h LYS 56 Cb 0.56 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1oni h LYS 56 CO 0.03 0.84 -0.24 0.37 -2.27 0.00 0.00 179.45 178.18 1oni h GLN 57 N 0.63 0.67 -0.65 1.90 5.75 -0.88 -0.38 115.11 122.15 1oni h GLN 57 Ca 0.13 -0.27 -0.07 0.00 -0.15 0.00 0.00 58.65 58.29 1oni h GLN 57 Cb 0.47 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.96 1oni h GLN 57 CO 0.02 0.85 0.13 0.00 -2.65 0.00 0.00 178.83 177.18 1oni h ALA 58 N 1.15 1.00 -0.32 3.38 0.00 -0.67 -0.54 119.26 123.26 1oni h ALA 58 Ca 0.08 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 1oni h ALA 58 Cb 0.72 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1oni h ALA 58 CO 0.06 0.64 -0.47 -0.07 0.00 0.00 0.00 179.25 179.41 1oni h LEU 59 N 0.99 0.93 -0.49 0.00 3.38 -1.19 -0.54 115.31 118.40 1oni h LEU 59 Ca 0.20 -0.46 0.07 0.00 0.09 0.00 0.00 57.88 57.78 1oni h LEU 59 Cb 0.39 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 1oni h LEU 59 CO 0.01 1.25 0.17 0.11 0.09 0.00 0.00 178.44 180.06 1oni h LYS 60 N 0.68 0.33 -0.24 1.13 1.57 -0.83 0.17 116.57 119.38 1oni h LYS 60 Ca 0.04 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1oni h LYS 60 Cb 1.06 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 1oni h LYS 60 CO 0.11 0.22 0.10 -0.91 -0.57 0.00 0.00 179.45 178.40 1oni h ASN 61 N 0.34 0.33 -0.91 0.86 2.35 -0.83 -1.92 115.58 115.80 1oni h ASN 61 Ca 0.23 -0.16 0.11 0.00 -0.55 0.00 0.00 56.30 55.93 1oni h ASN 61 Cb 0.25 -0.08 -0.08 0.00 0.05 0.00 0.00 38.32 38.46 1oni h ASN 61 CO -0.24 0.40 0.55 -0.03 -1.65 0.00 0.00 177.43 176.45 1oni h MET 62 N 0.24 0.86 -0.76 0.81 4.05 -0.83 -2.36 114.93 116.94 1oni h MET 62 Ca 0.08 -0.05 -0.03 0.00 -0.28 0.00 0.00 59.70 59.42 1oni h MET 62 Cb 0.17 -0.19 -0.04 0.00 -0.80 0.00 0.00 31.60 30.74 1oni h MET 62 CO -0.01 0.57 0.37 0.78 0.23 0.00 0.00 176.91 178.85 1oni h GLY 63 N 0.89 1.18 1.49 1.39 0.00 -0.43 0.26 103.07 107.86 1oni h GLY 63 Ca 0.44 -0.58 -0.07 0.00 0.00 0.00 0.00 47.33 47.12 1oni h GLY 63 CO -0.26 0.55 -0.07 0.83 0.00 0.00 0.00 176.54 177.60 1oni h GLU 64 N 1.08 0.62 -0.28 4.80 4.39 -0.87 -0.25 114.58 124.06 1oni h GLU 64 Ca 0.26 -0.17 -0.13 0.00 0.34 0.00 0.00 59.36 59.66 1oni h GLU 64 Cb 0.11 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 1oni h GLU 64 CO -0.03 0.69 -0.35 0.82 -1.16 0.00 0.00 179.01 178.98 1oni h ILE 65 N 0.57 1.30 -0.67 3.13 2.04 -1.03 -1.77 117.51 121.09 1oni h ILE 65 Ca 0.11 -1.53 -0.00 0.00 1.00 0.00 0.00 64.86 64.44 1oni h ILE 65 Cb 0.47 1.63 -0.03 0.00 -0.74 0.00 0.00 36.82 38.15 1oni h ILE 65 CO 0.03 0.49 0.41 -0.07 0.00 0.00 0.00 178.15 179.00 1oni h LEU 66 N 0.47 0.80 -0.78 1.44 3.38 -0.62 -2.53 115.31 117.48 1oni h LEU 66 Ca 0.04 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.97 1oni h LEU 66 Cb 0.93 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 1oni h LEU 66 CO 0.08 0.62 0.50 0.50 0.09 0.00 0.00 178.44 180.24 1oni h LYS 67 N 0.91 0.98 0.00 1.13 3.64 -0.76 0.11 116.57 122.57 1oni h LYS 67 Ca 0.24 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1oni h LYS 67 Cb -0.04 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.56 1oni h LYS 67 CO -0.05 0.65 0.00 0.00 -2.27 0.00 0.00 179.45 177.78 1oni h ALA 68 N 1.31 1.00 -0.61 5.00 0.00 -0.91 0.19 119.26 125.23 1oni h ALA 68 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1oni h ALA 68 Cb -0.05 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1oni h ALA 68 CO -0.09 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.16 1oni n ALA 69 N -1.97 2.61 -2.06 0.00 0.00 -0.08 -4.94 120.51 114.07 1oni n ALA 69 Ca -0.01 -1.43 -0.08 0.00 0.00 0.00 0.00 53.44 51.92 1oni n ALA 69 Cb 0.14 -0.85 -0.01 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 1.17 0.13 3.56 0.00 0.00 0.68 -4.96 105.19 105.77 1oni n GLY 70 Ca 0.23 -0.55 -0.26 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.07 0.00 0.26 0.00 3.85 -1.26 -2.55 116.55 115.77 1oni n ASP 72 Ca -0.08 -1.00 0.11 0.00 -0.71 0.00 0.00 54.79 53.12 1oni n ASP 72 Cb 0.66 0.00 0.69 0.00 -1.35 0.00 0.00 41.12 41.12 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 1.00 0.00 0.00 2.11 0.04 -1.94 -2.43 116.94 115.72 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 0.11 0.00 1.79 -0.60 0.00 0.00 178.31 179.61 1oni h THR 74 N 0.00 0.00 0.00 -1.55 1.35 -1.94 -2.13 112.91 108.64 1oni h THR 74 Ca -0.00 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.65 1oni h THR 74 Cb 0.26 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 1oni h THR 74 CO 0.01 0.00 -0.07 0.59 -0.25 0.00 0.00 175.52 175.80 1oni n ASN 75 N -2.62 0.09 -4.69 5.36 3.02 -0.91 -4.85 115.26 110.66 1oni n ASN 75 Ca 0.00 0.40 -0.42 0.00 -0.03 0.00 0.00 54.58 54.52 1oni n ASN 75 Cb 0.18 -0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 38.92 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 -3.00 4.11 -0.24 2.41 1.01 -0.80 -1.14 120.40 122.74 1oni s VAL 76 Ca 0.13 1.44 0.11 0.00 0.00 0.00 0.00 61.98 63.66 1oni s VAL 76 Cb 0.19 -3.93 -0.15 0.00 0.00 0.00 0.00 36.38 32.49 1oni s VAL 76 CO 0.56 -0.01 0.34 1.33 0.00 0.00 0.00 175.10 177.32 1oni n VAL 77 N 4.67 0.00 -3.67 2.92 0.24 -0.23 -4.29 118.33 117.97 1oni n VAL 77 Ca 0.12 -0.25 -0.10 0.00 -2.04 0.00 0.00 64.34 62.07 1oni n VAL 77 Cb 0.45 0.59 -0.09 0.00 -1.47 0.00 0.00 33.84 33.33 1oni n VAL 77 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1oni s LYS 78 N -2.42 0.58 0.21 7.34 2.47 -1.11 -1.42 119.74 125.38 1oni s LYS 78 Ca -0.00 0.98 0.07 0.00 -1.56 0.00 0.00 55.97 55.45 1oni s LYS 78 Cb 0.08 0.11 -0.05 0.00 -1.46 0.00 0.00 37.83 36.51 1oni s LYS 78 CO 0.45 -0.14 -0.11 0.95 0.16 0.00 0.00 175.35 176.66 1oni s THR 79 N 1.30 1.55 -0.12 3.43 -4.23 -0.36 -1.29 115.64 115.92 1oni s THR 79 Ca -0.08 -2.15 0.01 0.00 -1.18 0.00 0.00 61.69 58.29 1oni s THR 79 Cb -0.06 -2.11 0.02 0.00 1.34 0.00 0.00 72.50 71.69 1oni s THR 79 CO -0.13 -0.55 -0.14 -0.89 -0.54 0.00 0.00 174.62 172.37 1oni s THR 80 N -3.09 1.45 -0.37 3.99 2.01 -0.70 -2.19 115.64 116.74 1oni s THR 80 Ca 0.23 -0.60 -0.09 0.00 0.31 0.00 0.00 61.69 61.54 1oni s THR 80 Cb 0.01 -1.35 0.04 0.00 0.01 0.00 0.00 72.50 71.21 1oni s THR 80 CO 0.07 0.43 0.17 -0.69 -0.69 0.00 0.00 174.62 173.92 1oni s VAL 81 N 1.18 4.23 -0.34 3.82 1.01 0.02 -1.79 120.40 128.52 1oni s VAL 81 Ca -0.03 -1.04 -0.12 0.00 0.00 0.00 0.00 61.98 60.80 1oni s VAL 81 Cb -0.14 -3.40 -0.00 0.00 0.00 0.00 0.00 36.38 32.83 1oni s VAL 81 CO -0.04 -0.25 0.21 -0.76 0.00 0.00 0.00 175.10 174.25 1oni s LEU 82 N 1.48 4.47 0.01 3.92 1.43 -0.17 -2.28 118.68 127.55 1oni s LEU 82 Ca 0.01 -0.61 -0.01 0.00 -1.03 0.00 0.00 54.13 52.49 1oni s LEU 82 Cb -0.20 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 43.91 1oni s LEU 82 CO 0.05 -0.27 0.14 -0.76 0.23 0.00 0.00 176.35 175.74 1oni s LEU 83 N 1.65 4.16 0.37 1.79 1.43 -0.35 -1.37 118.68 126.36 1oni s LEU 83 Ca 0.05 0.23 0.20 0.00 -1.03 0.00 0.00 54.13 53.57 1oni s LEU 83 Cb -0.18 -2.55 0.37 0.00 0.03 0.00 0.00 46.19 43.86 1oni s LEU 83 CO 0.08 0.24 1.59 0.00 0.23 0.00 0.00 176.35 178.49 1oni h ALA 84 N 3.71 0.85 -3.02 4.21 0.00 -1.68 0.21 119.26 123.54 1oni h ALA 84 Ca -0.48 -0.26 -0.35 0.00 0.00 0.00 0.00 54.91 53.82 1oni h ALA 84 Cb 1.18 -0.05 -0.38 0.00 0.00 0.00 0.00 17.79 18.55 1oni h ALA 84 CO 0.68 0.36 -0.68 0.34 0.00 0.00 0.00 179.25 179.95 1oni s ASP 85 N -6.31 1.30 0.54 0.00 -1.08 -1.26 -4.75 116.67 105.12 1oni s ASP 85 Ca 0.04 -0.03 0.24 0.00 -0.52 0.00 0.00 52.55 52.28 1oni s ASP 85 Cb 0.07 0.10 1.44 0.00 -1.46 0.00 0.00 42.92 43.07 1oni s ASP 85 CO 0.69 -0.28 2.06 -0.29 0.52 0.00 0.00 175.17 177.87 1oni h ILE 86 N 6.38 0.73 0.00 4.11 6.09 -1.93 -1.58 117.51 131.32 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 1.13 0.83 0.00 0.00 0.47 0.00 0.00 36.82 39.25 1oni h ILE 86 CO 0.20 0.00 0.00 0.59 -3.07 0.00 0.00 178.15 175.87 1oni n ASN 87 N -4.26 0.00 -0.36 2.19 3.02 -1.26 -2.37 115.26 112.23 1oni n ASN 87 Ca 0.04 -0.73 0.13 0.00 -0.03 0.00 0.00 54.58 53.99 1oni n ASN 87 Cb 0.40 0.00 0.35 0.00 -0.61 0.00 0.00 39.78 39.91 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 -0.96 1.34 -0.21 6.41 8.00 -0.59 -4.54 116.55 126.00 1oni n ASP 88 Ca 0.15 -1.15 -0.01 0.00 0.71 0.00 0.00 54.79 54.49 1oni n ASP 88 Cb 0.07 0.15 0.06 0.00 -0.02 0.00 0.00 41.12 41.37 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 1.76 -0.43 -0.47 1.24 3.57 -1.66 -0.44 116.94 120.51 1oni h PHE 89 Ca 0.00 0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.58 1oni h PHE 89 Cb 0.56 0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.56 1oni h PHE 89 CO 0.00 -0.30 0.28 -0.91 -2.23 0.00 0.00 178.31 175.15 1oni h ASN 90 N -0.03 0.45 -0.34 0.41 2.35 -1.87 0.13 115.58 116.68 1oni h ASN 90 Ca 0.30 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.05 1oni h ASN 90 Cb 0.49 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.75 1oni h ASN 90 CO -0.67 0.32 0.22 0.74 -1.65 0.00 0.00 177.43 176.39 1oni h THR 91 N 0.55 1.10 -0.78 2.81 2.02 -1.60 -2.57 112.91 114.45 1oni h THR 91 Ca 0.19 -0.20 -0.04 0.00 0.77 0.00 0.00 66.41 67.13 1oni h THR 91 Cb 0.01 0.62 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 1oni h THR 91 CO -0.08 0.09 0.32 0.58 0.37 0.00 0.00 175.52 176.80 1oni h VAL 92 N 0.45 1.26 -0.65 3.16 2.07 -0.73 -2.78 116.25 119.02 1oni h VAL 92 Ca 0.12 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 1oni h VAL 92 Cb -0.03 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 30.03 1oni h VAL 92 CO -0.03 0.32 0.31 0.78 0.02 0.00 0.00 177.57 178.98 1oni h ASN 93 N 1.12 0.84 -0.40 0.57 2.35 -0.55 -0.03 115.58 119.48 1oni h ASN 93 Ca 0.26 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 1oni h ASN 93 Cb 0.20 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.33 1oni h ASN 93 CO -0.02 0.71 0.22 -0.33 -1.65 0.00 0.00 177.43 176.36 1oni h GLU 94 N 0.93 0.55 -0.32 0.81 4.39 -1.20 -1.54 114.58 118.20 1oni h GLU 94 Ca 0.23 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.76 1oni h GLU 94 Cb 0.10 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1oni h GLU 94 CO -0.03 0.44 -0.21 0.82 -1.16 0.00 0.00 179.01 178.87 1oni h ILE 95 N 0.51 1.29 -0.85 3.13 2.04 -1.26 -3.03 117.51 119.35 1oni h ILE 95 Ca 0.14 -1.34 0.15 0.00 1.00 0.00 0.00 64.86 64.81 1oni h ILE 95 Cb 0.05 1.46 -0.10 0.00 -0.74 0.00 0.00 36.82 37.50 1oni h ILE 95 CO -0.02 0.44 0.43 0.22 0.00 0.00 0.00 178.15 179.21 1oni h TYR 96 N 0.47 0.74 0.00 1.37 3.20 -0.84 0.17 116.97 122.09 1oni h TYR 96 Ca 0.07 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1oni h TYR 96 Cb 0.76 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 38.83 1oni h TYR 96 CO 0.06 0.16 0.00 1.63 -1.64 0.00 0.00 178.16 178.37 1oni n LYS 97 N -4.89 0.02 0.07 1.82 5.02 -0.59 -1.74 118.16 117.87 1oni n LYS 97 Ca 0.17 0.30 0.13 0.00 -2.02 0.00 0.00 58.31 56.89 1oni n LYS 97 Cb 0.45 -1.50 0.41 0.00 -0.02 0.00 0.00 35.03 34.37 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 -1.48 0.20 -0.02 1.97 6.02 0.59 -4.25 117.38 120.41 1oni n GLN 98 Ca 0.03 0.15 -0.03 0.00 -0.01 0.00 0.00 57.00 57.14 1oni n GLN 98 Cb 0.12 -1.72 -0.03 0.00 1.02 0.00 0.00 30.24 29.64 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 -2.06 0.00 -3.71 1.08 4.02 -0.71 -4.97 117.16 110.81 1oni n TYR 99 Ca 0.06 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.57 1oni n TYR 99 Cb 0.41 -0.19 -0.12 0.00 -0.02 0.00 0.00 39.34 39.42 1oni n TYR 99 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1oni s PHE 100 N -2.10 3.17 -0.11 -0.72 0.40 -0.74 -4.83 117.98 113.06 1oni s PHE 100 Ca -0.05 -0.88 0.16 0.00 -0.60 0.00 0.00 56.93 55.56 1oni s PHE 100 Cb 0.01 -2.30 -0.23 0.00 0.51 0.00 0.00 43.02 41.01 1oni s PHE 100 CO 0.13 -0.56 0.18 1.63 0.70 0.00 0.00 175.22 177.31 1oni n LYS 101 N 4.91 1.03 -3.68 0.44 4.76 -1.26 -4.51 118.16 119.86 1oni n LYS 101 Ca -0.14 -0.07 -0.02 0.00 -2.87 0.00 0.00 58.31 55.22 1oni n LYS 101 Cb 0.48 -1.42 -0.01 0.00 -1.84 0.00 0.00 35.03 32.24 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 -4.63 -0.14 -1.31 4.39 1.04 -1.26 -4.97 113.70 106.81 1oni s SER 102 Ca -0.07 -0.25 -0.07 0.00 0.48 0.00 0.00 55.95 56.03 1oni s SER 102 Cb 0.07 0.34 -0.00 0.00 0.10 0.00 0.00 66.02 66.53 1oni s SER 102 CO 0.69 -0.62 0.55 0.59 0.98 0.00 0.00 173.24 175.43 1oni n ASN 103 N -0.44 -1.94 -4.76 7.02 3.02 -1.26 -4.78 115.26 112.11 1oni n ASN 103 Ca -0.07 -1.01 -0.39 0.00 -0.03 0.00 0.00 54.58 53.08 1oni n ASN 103 Cb 0.61 -3.15 0.01 0.00 -0.61 0.00 0.00 39.78 36.65 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 -3.79 2.60 0.65 3.10 0.08 -1.26 -4.95 117.98 114.41 1oni s PHE 104 Ca 0.16 1.41 -0.18 0.00 0.12 0.00 0.00 56.93 58.44 1oni s PHE 104 Cb -0.06 -3.68 -0.02 0.00 -0.57 0.00 0.00 43.02 38.69 1oni s PHE 104 CO 0.88 -2.35 1.11 -2.30 -0.10 0.00 0.00 175.22 172.46 1oni n PRO 105 N -0.47 0.89 -1.46 0.24 -0.02 -1.26 -4.98 135.00 127.95 1oni n PRO 105 Ca 0.07 0.36 -0.34 0.00 -2.02 0.00 0.00 63.50 61.57 1oni n PRO 105 Cb 0.45 -2.34 0.09 0.00 -0.02 0.00 0.00 33.50 31.68 1oni n PRO 105 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1oni s ALA 106 N -1.53 2.16 -0.05 3.55 0.00 -0.51 -4.84 121.76 120.54 1oni s ALA 106 Ca 0.79 0.79 -0.12 0.00 0.00 0.00 0.00 51.96 53.42 1oni s ALA 106 Cb -0.38 -3.44 0.02 0.00 0.00 0.00 0.00 23.12 19.32 1oni s ALA 106 CO 0.44 -1.80 0.29 0.50 0.00 0.00 0.00 175.76 175.19 1oni s ARG 107 N -3.99 0.53 0.01 0.00 3.52 -1.26 -1.22 118.95 116.54 1oni s ARG 107 Ca 0.72 0.00 0.08 0.00 -0.13 0.00 0.00 55.73 56.40 1oni s ARG 107 Cb -0.27 0.24 -0.02 0.00 -1.56 0.00 0.00 34.95 33.34 1oni s ARG 107 CO 0.45 -0.12 -0.23 0.00 -0.81 0.00 0.00 175.30 174.58 1oni s ALA 108 N -0.80 1.96 -0.04 6.12 0.00 -0.93 -5.00 121.76 123.07 1oni s ALA 108 Ca -0.09 -1.06 -0.03 0.00 0.00 0.00 0.00 51.96 50.78 1oni s ALA 108 Cb -0.04 -0.46 0.02 0.00 0.00 0.00 0.00 23.12 22.64 1oni s ALA 108 CO 0.03 0.47 0.10 0.00 0.00 0.00 0.00 175.76 176.36 1oni s ALA 109 N -0.64 -0.19 0.08 0.00 0.00 -1.26 -0.80 121.76 118.94 1oni s ALA 109 Ca 0.09 0.43 -0.27 0.00 0.00 0.00 0.00 51.96 52.21 1oni s ALA 109 Cb -0.09 -0.28 0.08 0.00 0.00 0.00 0.00 23.12 22.83 1oni s ALA 109 CO 0.00 -0.10 0.96 1.52 0.00 0.00 0.00 175.76 178.14 1oni s TYR 110 N 0.63 -0.20 -0.12 0.00 1.13 -0.97 -5.01 117.35 112.82 1oni s TYR 110 Ca -0.05 -0.02 -0.13 0.00 -1.41 0.00 0.00 57.07 55.46 1oni s TYR 110 Cb -0.07 0.59 -0.05 0.00 -1.10 0.00 0.00 41.96 41.34 1oni s TYR 110 CO -0.03 -0.68 0.29 -1.14 -2.51 0.00 0.00 175.55 171.49 1oni s GLN 111 N -3.16 4.04 0.42 -3.49 0.74 -1.26 -1.21 119.66 115.75 1oni s GLN 111 Ca 0.10 0.12 0.08 0.00 0.05 0.00 0.00 55.36 55.71 1oni s GLN 111 Cb -0.01 -3.34 -0.02 0.00 1.10 0.00 0.00 33.01 30.74 1oni s GLN 111 CO -0.02 0.43 0.36 0.14 -0.55 0.00 0.00 175.29 175.65 1oni s VAL 112 N -0.14 2.55 0.18 1.34 -7.23 0.06 -4.92 120.40 112.25 1oni s VAL 112 Ca 0.18 -1.39 0.01 0.00 -1.81 0.00 0.00 61.98 58.96 1oni s VAL 112 Cb -0.14 -2.95 -0.12 0.00 0.56 0.00 0.00 36.38 33.74 1oni s VAL 112 CO 0.06 0.00 1.43 0.00 -0.31 0.00 0.00 175.10 176.28 1oni h ALA 113 N 1.06 0.60 -1.59 1.32 0.00 -1.92 -3.43 119.26 115.30 1oni h ALA 113 Ca -0.41 -0.64 0.07 0.00 0.00 0.00 0.00 54.91 53.92 1oni h ALA 113 Cb 1.27 -0.07 -0.23 0.00 0.00 0.00 0.00 17.79 18.76 1oni h ALA 113 CO 0.59 0.81 0.51 0.00 0.00 0.00 0.00 179.25 181.17 1oni s ALA 114 N -3.47 -1.92 0.25 0.00 0.00 -1.26 -5.05 121.76 110.31 1oni s ALA 114 Ca -0.04 1.59 0.12 0.00 0.00 0.00 0.00 51.96 53.63 1oni s ALA 114 Cb 0.10 -0.72 -0.05 0.00 0.00 0.00 0.00 23.12 22.45 1oni s ALA 114 CO 0.83 -0.31 -0.21 -0.51 0.00 0.00 0.00 175.76 175.56 1oni s LEU 115 N -1.00 2.54 0.31 0.00 1.43 -1.26 -5.07 118.68 115.63 1oni s LEU 115 Ca -0.02 -0.98 -0.29 0.00 -1.03 0.00 0.00 54.13 51.82 1oni s LEU 115 Cb -0.01 -1.11 -0.13 0.00 0.03 0.00 0.00 46.19 44.97 1oni s LEU 115 CO 0.02 0.06 1.28 -2.65 0.23 0.00 0.00 176.35 175.29 1oni n PRO 116 N -0.33 2.02 -1.63 1.29 -0.02 -1.26 -1.92 135.00 133.15 1oni n PRO 116 Ca -0.07 0.71 -0.20 0.00 -2.02 0.00 0.00 63.50 61.91 1oni n PRO 116 Cb 0.59 -2.29 -0.08 0.00 -0.02 0.00 0.00 33.50 31.70 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 0.90 -1.42 -1.84 -0.52 5.02 -1.26 -2.07 118.16 116.97 1oni n LYS 117 Ca 0.07 1.20 -0.12 0.00 -2.02 0.00 0.00 58.31 57.44 1oni n LYS 117 Cb 0.35 -5.58 -0.03 0.00 -0.02 0.00 0.00 35.03 29.75 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 -0.51 0.51 3.74 0.72 0.00 -0.81 -4.97 105.19 103.87 1oni n GLY 118 Ca -0.20 -0.42 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.64 4.61 0.00 1.61 0.01 -0.88 -4.95 113.70 111.46 1oni s SER 119 Ca 0.00 2.21 0.25 0.00 1.31 0.00 0.00 55.95 59.72 1oni s SER 119 Cb 0.00 -2.57 0.49 0.00 0.21 0.00 0.00 66.02 64.15 1oni s SER 119 CO 0.00 -1.98 1.40 0.54 0.41 0.00 0.00 173.24 173.61 1oni n ARG 120 N -2.54 0.55 -3.63 12.44 5.12 -1.26 -4.39 116.66 122.94 1oni n ARG 120 Ca 0.12 -0.36 -0.15 0.00 -1.93 0.00 0.00 57.85 55.53 1oni n ARG 120 Cb 0.51 -1.49 -0.07 0.00 -1.16 0.00 0.00 32.46 30.24 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 -2.70 0.00 -0.03 0.55 2.07 -1.26 -2.07 121.20 117.76 1oni s ILE 121 Ca 0.18 -0.03 0.02 0.00 -1.41 0.00 0.00 60.65 59.41 1oni s ILE 121 Cb 0.18 -0.90 0.01 0.00 0.13 0.00 0.00 42.46 41.88 1oni s ILE 121 CO 0.61 -0.02 -0.07 -0.70 -1.91 0.00 0.00 174.94 172.86 1oni s GLU 122 N -0.16 0.87 -0.15 3.50 2.12 -0.47 -4.43 118.70 119.98 1oni s GLU 122 Ca -0.04 -0.20 0.00 0.00 0.36 0.00 0.00 54.97 55.10 1oni s GLU 122 Cb -0.03 -0.83 0.02 0.00 0.26 0.00 0.00 34.13 33.55 1oni s GLU 122 CO 0.03 0.02 -0.13 0.42 -0.54 0.00 0.00 175.26 175.06 1oni s ILE 123 N 0.52 1.54 0.30 -3.70 1.01 0.02 -1.00 121.20 119.89 1oni s ILE 123 Ca -0.07 -0.62 0.07 0.00 0.00 0.00 0.00 60.65 60.02 1oni s ILE 123 Cb -0.11 -1.46 -0.03 0.00 0.01 0.00 0.00 42.46 40.88 1oni s ILE 123 CO 0.01 0.44 0.28 -1.83 0.00 0.00 0.00 174.94 173.83 1oni s GLU 124 N 1.50 2.86 0.14 2.79 -1.05 -0.74 0.58 118.70 124.79 1oni s GLU 124 Ca 0.05 -1.16 -0.16 0.00 -0.15 0.00 0.00 54.97 53.54 1oni s GLU 124 Cb -0.13 -2.55 0.03 0.00 -0.44 0.00 0.00 34.13 31.04 1oni s GLU 124 CO -0.10 0.21 0.43 0.00 0.95 0.00 0.00 175.26 176.75 1oni s ALA 125 N -2.22 -0.93 -0.04 -0.84 0.00 -1.17 -1.73 121.76 114.83 1oni s ALA 125 Ca 0.38 -0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.30 1oni s ALA 125 Cb -0.07 0.75 -0.01 0.00 0.00 0.00 0.00 23.12 23.79 1oni s ALA 125 CO 0.26 -0.69 -0.18 0.08 0.00 0.00 0.00 175.76 175.24 1oni s VAL 126 N -3.82 1.47 0.10 0.00 1.01 -0.42 -1.24 120.40 117.50 1oni s VAL 126 Ca 0.05 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.30 1oni s VAL 126 Cb 0.01 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 35.10 1oni s VAL 126 CO -0.10 0.42 -0.08 0.00 0.00 0.00 0.00 175.10 175.35 1oni s ALA 127 N -0.05 1.00 -0.14 5.51 0.00 -0.22 -1.07 121.76 126.80 1oni s ALA 127 Ca -0.02 -1.26 0.02 0.00 0.00 0.00 0.00 51.96 50.70 1oni s ALA 127 Cb -0.11 0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.13 1oni s ALA 127 CO 0.02 -0.16 -0.21 0.42 0.00 0.00 0.00 175.76 175.83 1oni s ILE 128 N -3.09 2.18 0.20 0.00 -1.09 -0.29 -0.52 121.20 118.58 1oni s ILE 128 Ca 0.08 -0.94 -0.31 0.00 -2.23 0.00 0.00 60.65 57.25 1oni s ILE 128 Cb 0.02 -1.87 -0.10 0.00 -1.58 0.00 0.00 42.46 38.92 1oni s ILE 128 CO -0.03 0.54 1.47 -1.58 -1.23 0.00 0.00 174.94 174.12 1oni s GLN 129 N 0.78 4.26 1.19 2.79 0.74 0.53 -4.76 119.66 125.19 1oni s GLN 129 Ca -0.08 2.28 -0.19 0.00 0.05 0.00 0.00 55.36 57.42 1oni s GLN 129 Cb -0.16 -3.15 0.28 0.00 1.10 0.00 0.00 33.01 31.09 1oni s GLN 129 CO -0.01 -0.48 1.12 0.20 -0.55 0.00 0.00 175.29 175.57 1oni s GLY 130 N 0.75 1.59 0.43 2.59 0.00 -1.26 -4.76 107.32 106.67 1oni s GLY 130 Ca 0.64 -0.97 -0.22 0.00 0.00 0.00 0.00 44.72 44.17 1oni s GLY 130 CO 0.37 -0.09 1.01 2.56 0.00 0.00 0.00 173.10 176.95 1oni s PRO 131 N -5.44 4.09 0.02 2.90 0.04 -1.26 -5.14 135.00 130.21 1oni s PRO 131 Ca 0.71 1.34 0.07 0.00 0.04 0.00 0.00 61.00 63.17 1oni s PRO 131 Cb -0.09 -2.31 -0.02 0.00 0.04 0.00 0.00 34.50 32.11 1oni s PRO 131 CO 0.56 -0.18 -0.22 -0.51 0.04 0.00 0.00 177.00 176.69 1oni s LEU 132 N -3.03 2.12 -0.09 -3.56 1.43 -1.26 -5.13 118.68 109.16 1oni s LEU 132 Ca 0.62 -0.48 0.03 0.00 -1.03 0.00 0.00 54.13 53.27 1oni s LEU 132 Cb -0.16 -1.08 0.01 0.00 0.03 0.00 0.00 46.19 44.98 1oni s LEU 132 CO 0.21 0.22 -0.19 0.28 0.23 0.00 0.00 176.35 177.09 1oni s THR 133 N -0.68 1.71 0.11 5.49 -1.32 -1.26 -5.14 115.64 114.55 1oni s THR 133 Ca 0.09 -0.81 0.05 0.00 -1.21 0.00 0.00 61.69 59.80 1oni s THR 133 Cb -0.09 -1.50 -0.04 0.00 -1.51 0.00 0.00 72.50 69.36 1oni s THR 133 CO 0.01 0.48 0.03 0.42 -2.21 0.00 0.00 174.62 173.35 1oni s THR 134 N 0.52 4.13 0.00 5.08 -4.23 -1.26 -5.30 115.64 114.58 1oni s THR 134 Ca -0.16 -1.01 0.00 0.00 -1.18 0.00 0.00 61.69 59.34 1oni s THR 134 Cb -0.17 -3.00 0.00 0.00 1.34 0.00 0.00 72.50 70.67 1oni s THR 134 CO 0.06 0.07 0.19 0.00 -0.54 0.00 0.00 174.62 174.40