#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1m s SER 2 N 0.00 0.06 0.22 1.61 1.04 -1.26 -5.18 113.70 110.19 1x1m s SER 2 Ca 0.00 -0.90 -0.05 0.00 0.48 0.00 0.00 55.95 55.48 1x1m s SER 2 Cb 0.00 0.43 -0.03 0.00 0.10 0.00 0.00 66.02 66.52 1x1m s SER 2 CO 0.00 -0.88 0.26 -0.94 0.98 0.00 0.00 173.24 172.66 1x1m s SER 3 N -2.98 0.07 -0.03 7.02 1.04 -1.26 -4.94 113.70 112.63 1x1m s SER 3 Ca 0.18 -1.22 -0.20 0.00 0.48 0.00 0.00 55.95 55.19 1x1m s SER 3 Cb 0.04 0.46 -0.33 0.00 0.10 0.00 0.00 66.02 66.29 1x1m s SER 3 CO 0.00 -0.96 0.91 1.23 0.98 0.00 0.00 173.24 175.41 1x1m h GLY 4 N 2.48 0.42 -1.58 7.32 0.00 -2.02 -3.48 103.07 106.21 1x1m h GLY 4 Ca -0.32 -1.08 -0.51 0.00 0.00 0.00 0.00 47.33 45.42 1x1m h GLY 4 CO 0.46 0.94 -0.54 -0.45 0.00 0.00 0.00 176.54 176.95 1x1m s SER 5 N -7.15 2.39 1.00 0.19 0.15 -1.26 -5.10 113.70 103.92 1x1m s SER 5 Ca -0.12 -1.60 -0.11 0.00 0.70 0.00 0.00 55.95 54.82 1x1m s SER 5 Cb 0.02 0.38 0.20 0.00 -1.71 0.00 0.00 66.02 64.91 1x1m s SER 5 CO 0.86 -0.87 1.10 -0.94 1.20 0.00 0.00 173.24 174.60 1x1m s SER 6 N -3.52 2.21 -0.38 5.45 1.04 -1.26 -4.88 113.70 112.35 1x1m s SER 6 Ca 0.29 1.96 -0.03 0.00 0.48 0.00 0.00 55.95 58.65 1x1m s SER 6 Cb 0.04 -2.48 0.11 0.00 0.10 0.00 0.00 66.02 63.79 1x1m s SER 6 CO 0.16 -3.51 2.50 0.61 0.98 0.00 0.00 173.24 173.97 1x1m n GLY 7 N 0.43 4.20 2.78 7.32 0.00 -1.26 -4.77 105.19 113.88 1x1m n GLY 7 Ca 0.09 -1.53 -0.30 0.00 0.00 0.00 0.00 46.02 44.28 1x1m n GLY 7 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1x1m s MET 8 N -1.65 0.85 0.09 1.61 -1.94 -1.26 -5.11 119.30 111.90 1x1m s MET 8 Ca 0.48 -1.02 -0.09 0.00 -1.71 0.00 0.00 55.69 53.35 1x1m s MET 8 Cb 0.32 -2.16 -0.00 0.00 2.01 0.00 0.00 34.83 35.00 1x1m s MET 8 CO -0.12 -0.89 0.20 0.45 -0.01 0.00 0.00 175.02 174.65 1x1m s SER 9 N 1.58 0.11 -0.23 3.03 0.15 -1.26 -5.08 113.70 111.99 1x1m s SER 9 Ca 0.07 -0.66 -0.07 0.00 0.70 0.00 0.00 55.95 55.98 1x1m s SER 9 Cb -0.17 0.35 -0.12 0.00 -1.71 0.00 0.00 66.02 64.37 1x1m s SER 9 CO -0.19 -0.74 -0.27 0.18 1.20 0.00 0.00 173.24 173.42 1x1m n LEU 10 N -0.07 2.14 0.19 3.45 4.32 -1.26 -4.38 117.00 121.39 1x1m n LEU 10 Ca -0.14 0.15 0.11 0.00 -0.02 0.00 0.00 56.01 56.10 1x1m n LEU 10 Cb 0.62 -0.73 0.60 0.00 -1.62 0.00 0.00 43.42 42.30 1x1m n LEU 10 CO 0.23 0.63 0.87 0.77 -1.22 0.00 0.00 177.39 178.67 1x1m h SER 11 N -0.55 0.00 -6.49 -1.43 4.64 -1.98 -3.45 113.55 104.29 1x1m h SER 11 Ca -0.57 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.35 1x1m h SER 11 Cb 1.62 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.59 1x1m h SER 11 CO -0.27 0.00 -0.63 0.47 -0.87 0.00 0.00 176.83 175.54 1x1m n ASP 12 N -2.31 0.02 -4.68 4.97 8.00 -1.26 -4.76 116.55 116.52 1x1m n ASP 12 Ca -0.01 -0.83 -0.42 0.00 0.71 0.00 0.00 54.79 54.24 1x1m n ASP 12 Cb 0.13 -1.02 -0.03 0.00 -0.02 0.00 0.00 41.12 40.18 1x1m n ASP 12 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 1x1m s TRP 13 N -3.92 2.57 0.10 1.24 -0.11 -1.26 -5.01 118.94 112.55 1x1m s TRP 13 Ca 0.06 0.55 0.04 0.00 1.22 0.00 0.00 56.10 57.98 1x1m s TRP 13 Cb -0.03 -3.80 -0.04 0.00 -1.50 0.00 0.00 33.47 28.10 1x1m s TRP 13 CO 0.64 -3.14 -0.11 -3.38 -4.62 0.00 0.00 176.95 166.33 1x1m s HIS 14 N 2.75 1.16 0.04 5.86 -3.43 -1.26 -3.68 115.29 116.74 1x1m s HIS 14 Ca 0.69 -0.61 0.01 0.00 -0.80 0.00 0.00 55.06 54.35 1x1m s HIS 14 Cb -0.34 -0.63 -0.03 0.00 -1.43 0.00 0.00 32.58 30.15 1x1m s HIS 14 CO 0.29 0.05 -0.05 -1.17 -2.00 0.00 0.00 174.74 171.85 1x1m s LEU 15 N -2.37 2.32 -0.15 5.38 2.96 0.24 -3.79 118.68 123.27 1x1m s LEU 15 Ca 0.05 -0.67 -0.19 0.00 -0.22 0.00 0.00 54.13 53.11 1x1m s LEU 15 Cb -0.04 -0.01 -0.04 0.00 0.50 0.00 0.00 46.19 46.60 1x1m s LEU 15 CO 0.01 -0.33 0.52 0.00 -1.32 0.00 0.00 176.35 175.23 1x1m s ALA 16 N -2.12 3.49 -0.12 5.97 0.00 -1.12 -0.53 121.76 127.33 1x1m s ALA 16 Ca -0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 51.96 51.65 1x1m s ALA 16 Cb -0.05 -2.76 -0.02 0.00 0.00 0.00 0.00 23.12 20.29 1x1m s ALA 16 CO -0.02 -0.22 -0.10 0.08 0.00 0.00 0.00 175.76 175.50 1x1m s VAL 17 N 1.13 3.36 -0.06 0.00 1.01 -0.85 -2.02 120.40 122.95 1x1m s VAL 17 Ca 0.26 -0.57 0.02 0.00 0.00 0.00 0.00 61.98 61.70 1x1m s VAL 17 Cb -0.15 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.83 1x1m s VAL 17 CO 0.11 0.53 -0.11 -0.54 0.00 0.00 0.00 175.10 175.09 1x1m s LYS 18 N 0.08 1.60 -0.60 2.72 -0.14 -0.08 -2.38 119.74 120.94 1x1m s LYS 18 Ca -0.04 -0.38 -0.26 0.00 -1.36 0.00 0.00 55.97 53.93 1x1m s LYS 18 Cb -0.14 -1.34 0.04 0.00 -1.68 0.00 0.00 37.83 34.70 1x1m s LYS 18 CO 0.04 0.01 1.12 -1.17 -0.76 0.00 0.00 175.35 174.59 1x1m s LEU 19 N 0.70 3.65 0.39 3.17 2.96 -1.26 -0.28 118.68 128.01 1x1m s LEU 19 Ca -0.14 -0.18 0.13 0.00 -0.22 0.00 0.00 54.13 53.72 1x1m s LEU 19 Cb -0.16 -2.93 0.96 0.00 0.50 0.00 0.00 46.19 44.57 1x1m s LEU 19 CO 0.03 -1.46 1.88 0.00 -1.32 0.00 0.00 176.35 175.47 1x1m h ALA 20 N 9.55 2.02 -0.99 5.97 0.00 -1.58 0.05 119.26 134.29 1x1m h ALA 20 Ca -0.26 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1x1m h ALA 20 Cb 1.06 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 1x1m h ALA 20 CO 1.17 -0.27 0.65 -0.44 0.00 0.00 0.00 179.25 180.37 1x1m h ASP 21 N 0.53 1.12 -3.36 0.00 3.32 -1.91 -3.37 116.42 112.76 1x1m h ASP 21 Ca 0.44 -0.03 -0.61 0.00 0.02 0.00 0.00 57.03 56.85 1x1m h ASP 21 Cb 0.90 -0.28 -0.40 0.00 0.22 0.00 0.00 39.33 39.77 1x1m h ASP 21 CO -0.18 0.80 -0.74 -1.10 -1.72 0.00 0.00 179.24 176.30 1x1m s GLN 22 N -6.09 1.01 0.00 3.56 -0.21 0.00 -4.96 119.66 112.97 1x1m s GLN 22 Ca -0.13 -1.42 0.15 0.00 0.02 0.00 0.00 55.36 53.98 1x1m s GLN 22 Cb 0.18 -2.40 0.69 0.00 1.00 0.00 0.00 33.01 32.48 1x1m s GLN 22 CO 0.82 -0.99 1.43 -0.35 -2.12 0.00 0.00 175.29 174.07 1x1m n PRO 23 N 4.53 0.13 -0.08 2.91 -0.04 -1.22 -2.46 135.00 138.76 1x1m n PRO 23 Ca 0.01 0.19 -0.10 0.00 -0.04 0.00 0.00 63.50 63.55 1x1m n PRO 23 Cb 0.41 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.22 1x1m n PRO 23 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1x1m n LEU 24 N -1.37 0.50 -4.38 1.53 4.77 -1.26 -4.98 117.00 111.80 1x1m n LEU 24 Ca 0.06 0.12 -0.39 0.00 -0.03 0.00 0.00 56.01 55.77 1x1m n LEU 24 Cb 0.14 0.28 0.02 0.00 -2.33 0.00 0.00 43.42 41.53 1x1m n LEU 24 CO 0.12 0.50 -0.21 0.00 -1.33 0.00 0.00 177.39 176.47 1x1m n ALA 25 N -2.73 -1.92 -1.77 -1.18 0.00 -1.03 -4.89 120.51 106.99 1x1m n ALA 25 Ca -0.29 -0.01 -0.39 0.00 0.00 0.00 0.00 53.44 52.75 1x1m n ALA 25 Cb 1.12 -1.66 -0.02 0.00 0.00 0.00 0.00 19.45 18.88 1x1m n ALA 25 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1x1m s PRO 26 N -1.62 4.13 0.37 0.00 0.04 -1.26 -4.89 135.00 131.77 1x1m s PRO 26 Ca 0.64 1.92 -0.27 0.00 0.04 0.00 0.00 61.00 63.32 1x1m s PRO 26 Cb -0.48 -2.78 -0.09 0.00 0.04 0.00 0.00 34.50 31.19 1x1m s PRO 26 CO 0.59 -0.28 1.27 0.21 0.04 0.00 0.00 177.00 178.83 1x1m s LYS 27 N -2.16 4.19 -0.23 4.56 2.20 -1.26 -4.89 119.74 122.15 1x1m s LYS 27 Ca 0.55 2.11 0.02 0.00 -0.36 0.00 0.00 55.97 58.29 1x1m s LYS 27 Cb -0.33 -2.90 0.05 0.00 -1.51 0.00 0.00 37.83 33.14 1x1m s LYS 27 CO 0.42 -0.29 -0.11 0.45 -0.36 0.00 0.00 175.35 175.45 1x1m s SER 28 N -0.71 3.89 0.08 1.43 0.15 -1.00 -4.96 113.70 112.58 1x1m s SER 28 Ca 0.53 -1.13 -0.30 0.00 0.70 0.00 0.00 55.95 55.75 1x1m s SER 28 Cb -0.37 -1.39 -0.06 0.00 -1.71 0.00 0.00 66.02 62.49 1x1m s SER 28 CO 0.48 -0.16 1.18 -0.63 1.20 0.00 0.00 173.24 175.31 1x1m s ILE 29 N 1.25 4.03 0.10 6.45 -1.09 -1.26 -2.01 121.20 128.68 1x1m s ILE 29 Ca -0.05 1.49 0.05 0.00 -2.23 0.00 0.00 60.65 59.92 1x1m s ILE 29 Cb -0.18 -3.96 -0.04 0.00 -1.58 0.00 0.00 42.46 36.71 1x1m s ILE 29 CO -0.07 0.14 0.00 -0.22 -1.23 0.00 0.00 174.94 173.56 1x1m s LEU 30 N 0.85 3.46 -0.22 2.97 2.96 0.31 -4.90 118.68 124.11 1x1m s LEU 30 Ca 0.57 -0.20 0.00 0.00 -0.22 0.00 0.00 54.13 54.28 1x1m s LEU 30 Cb -0.29 -2.18 0.06 0.00 0.50 0.00 0.00 46.19 44.28 1x1m s LEU 30 CO 0.30 0.16 -0.04 -1.10 -1.32 0.00 0.00 176.35 174.35 1x1m s GLN 31 N -2.42 1.45 0.30 1.98 -0.21 -1.26 -0.59 119.66 118.91 1x1m s GLN 31 Ca 0.26 -0.85 -0.14 0.00 0.02 0.00 0.00 55.36 54.65 1x1m s GLN 31 Cb -0.11 -2.46 -0.09 0.00 1.00 0.00 0.00 33.01 31.35 1x1m s GLN 31 CO 0.19 -0.59 0.71 -0.48 -2.12 0.00 0.00 175.29 172.99 1x1m s LEU 32 N 1.49 4.09 1.25 2.90 0.05 -1.24 -4.98 118.68 122.24 1x1m s LEU 32 Ca -0.04 1.23 -0.21 0.00 0.05 0.00 0.00 54.13 55.16 1x1m s LEU 32 Cb -0.18 -4.00 0.31 0.00 -2.05 0.00 0.00 46.19 40.27 1x1m s LEU 32 CO -0.07 -0.17 1.11 -2.16 -0.55 0.00 0.00 176.35 174.51 1x1m s PRO 33 N -2.91 -1.65 0.59 1.48 0.04 -1.26 -4.75 135.00 126.54 1x1m s PRO 33 Ca 0.53 -0.21 -0.07 0.00 0.04 0.00 0.00 61.00 61.28 1x1m s PRO 33 Cb -0.11 -1.56 -0.00 0.00 0.04 0.00 0.00 34.50 32.87 1x1m s PRO 33 CO 0.18 -3.96 0.92 -1.83 0.04 0.00 0.00 177.00 172.35 1x1m s GLU 34 N -5.52 3.06 0.40 4.56 4.04 -1.26 -5.07 118.70 118.92 1x1m s GLU 34 Ca 0.72 0.16 0.05 0.00 0.04 0.00 0.00 54.97 55.94 1x1m s GLU 34 Cb -0.07 -2.23 -0.06 0.00 0.02 0.00 0.00 34.13 31.79 1x1m s GLU 34 CO 0.56 -0.66 0.03 -0.08 -1.84 0.00 0.00 175.26 173.26 1x1m s THR 35 N -3.02 1.48 0.27 1.83 -1.32 -1.26 -5.04 115.64 108.58 1x1m s THR 35 Ca 0.54 -2.00 -0.01 0.00 -1.21 0.00 0.00 61.69 59.01 1x1m s THR 35 Cb -0.11 -2.72 0.26 0.00 -1.51 0.00 0.00 72.50 68.42 1x1m s THR 35 CO 0.47 0.00 1.84 -0.33 -2.21 0.00 0.00 174.62 174.39 1x1m h GLU 36 N 1.79 0.97 0.00 7.08 5.08 -1.99 -3.17 114.58 124.34 1x1m h GLU 36 Ca -0.42 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1x1m h GLU 36 Cb 1.26 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1x1m h GLU 36 CO 0.74 0.64 0.00 1.28 -1.00 0.00 0.00 179.01 180.67 1x1m n LEU 37 N -4.62 0.01 0.00 1.33 7.99 -1.26 -5.05 117.00 115.40 1x1m n LEU 37 Ca 0.17 0.82 0.00 0.00 -0.01 0.00 0.00 56.01 56.99 1x1m n LEU 37 Cb 0.29 -0.32 0.00 0.00 -0.11 0.00 0.00 43.42 43.28 1x1m n LEU 37 CO 0.28 -0.32 0.00 0.61 -1.51 0.00 0.00 177.39 176.45 1x1m n GLY 38 N -0.80 -0.52 0.13 -0.72 0.00 -1.20 -5.00 105.19 97.09 1x1m n GLY 38 Ca 0.00 -0.42 -0.07 0.00 0.00 0.00 0.00 46.02 45.54 1x1m n GLY 38 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1x1m n GLU 39 N 0.00 0.22 -0.26 1.61 0.00 -1.26 -4.25 120.64 116.70 1x1m n GLU 39 Ca 0.00 0.06 0.26 0.00 0.00 0.00 0.00 57.16 57.47 1x1m n GLU 39 Cb 0.00 -1.13 0.48 0.00 0.00 0.00 0.00 31.44 30.79 1x1m n GLU 39 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.13 179.61 1x1m n TYR 40 N -2.84 0.95 -3.51 -1.84 4.11 -1.26 -4.30 117.16 108.47 1x1m n TYR 40 Ca -0.16 0.97 -0.00 0.00 -0.00 0.00 0.00 57.90 58.71 1x1m n TYR 40 Cb 0.66 -1.38 -0.05 0.00 -0.00 0.00 0.00 39.34 38.57 1x1m n TYR 40 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.86 175.74 1x1m s SER 41 N -4.62 -0.65 -0.01 9.48 0.01 -1.26 -5.09 113.70 111.56 1x1m s SER 41 Ca -0.07 0.94 -0.03 0.00 1.31 0.00 0.00 55.95 58.09 1x1m s SER 41 Cb 0.28 1.62 -0.02 0.00 0.21 0.00 0.00 66.02 68.11 1x1m s SER 41 CO 0.64 -0.14 0.35 -0.07 0.41 0.00 0.00 173.24 174.44 1x1m h LEU 42 N 7.18 -0.09 -3.23 2.44 3.38 -1.82 -3.41 115.31 119.75 1x1m h LEU 42 Ca -0.20 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.42 1x1m h LEU 42 Cb 1.14 0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1x1m h LEU 42 CO 0.12 0.02 -0.83 0.61 0.09 0.00 0.00 178.44 178.45 1x1m n GLY 43 N 0.99 -0.84 0.00 0.83 0.00 -1.26 -4.62 105.19 100.29 1x1m n GLY 43 Ca -0.01 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.50 1x1m n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x1m n GLY 44 N -1.21 0.05 3.72 -0.02 0.00 -1.26 -4.91 105.19 101.55 1x1m n GLY 44 Ca -0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.38 1x1m n GLY 44 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x1m s TYR 45 N 0.00 2.94 -0.09 1.61 2.02 -1.26 -4.87 117.35 117.70 1x1m s TYR 45 Ca 0.00 0.42 -0.28 0.00 -0.37 0.00 0.00 57.07 56.84 1x1m s TYR 45 Cb 0.00 -4.09 -0.02 0.00 -0.40 0.00 0.00 41.96 37.46 1x1m s TYR 45 CO 0.00 -4.08 0.95 -1.12 -1.57 0.00 0.00 175.55 169.73 1x1m s SER 46 N 1.15 7.21 0.18 2.29 0.01 -1.26 -2.61 113.70 120.68 1x1m s SER 46 Ca 0.73 1.48 -0.07 0.00 1.31 0.00 0.00 55.95 59.40 1x1m s SER 46 Cb -0.48 -2.53 0.28 0.00 0.21 0.00 0.00 66.02 63.50 1x1m s SER 46 CO 0.32 -0.37 1.06 -0.38 0.41 0.00 0.00 173.24 174.28 1x1m n ILE 47 N 4.37 -0.30 -0.27 1.44 2.08 -0.86 0.12 119.36 125.94 1x1m n ILE 47 Ca 0.07 1.56 -0.00 0.00 0.56 0.00 0.00 62.75 64.94 1x1m n ILE 47 Cb 0.49 -2.14 0.07 0.00 -0.75 0.00 0.00 39.64 37.31 1x1m n ILE 47 CO 0.00 0.00 0.00 -1.28 0.56 0.00 0.00 176.55 175.83 1x1m h SER 48 N 0.00 -0.93 -0.77 4.38 0.87 -1.80 0.63 113.55 115.93 1x1m h SER 48 Ca 0.31 0.24 0.14 0.00 -1.23 0.00 0.00 61.79 61.25 1x1m h SER 48 Cb 0.48 0.54 -0.14 0.00 -0.44 0.00 0.00 62.40 62.84 1x1m h SER 48 CO -0.69 -0.28 -0.30 0.15 -0.53 0.00 0.00 176.83 175.18 1x1m h PHE 49 N -0.04 -0.79 0.29 2.24 3.57 0.57 -0.54 116.94 122.24 1x1m h PHE 49 Ca 0.34 0.08 -0.01 0.00 3.53 0.00 0.00 57.97 61.90 1x1m h PHE 49 Cb 0.57 0.46 0.00 0.00 2.79 0.00 0.00 35.95 39.78 1x1m h PHE 49 CO -0.66 -0.38 -0.14 -0.07 -2.23 0.00 0.00 178.31 174.84 1x1m h LEU 50 N -0.07 -0.33 -1.13 0.59 3.38 -0.93 -1.59 115.31 115.23 1x1m h LEU 50 Ca 0.32 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.28 1x1m h LEU 50 Cb 0.58 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1x1m h LEU 50 CO -0.81 -0.22 0.53 0.11 0.09 0.00 0.00 178.44 178.15 1x1m h LYS 51 N -0.42 0.00 0.04 1.13 1.57 -0.27 0.21 116.57 118.83 1x1m h LYS 51 Ca -0.04 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.48 1x1m h LYS 51 Cb 0.32 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.60 1x1m h LYS 51 CO 0.07 0.00 -1.42 1.96 -0.57 0.00 0.00 179.45 179.49 1x1m h GLN 52 N 0.00 0.09 0.07 3.15 4.20 -0.40 -3.24 115.11 118.99 1x1m h GLN 52 Ca 0.00 -0.16 -0.00 0.00 0.06 0.00 0.00 58.65 58.54 1x1m h GLN 52 Cb 1.07 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.91 1x1m h GLN 52 CO 0.00 1.08 -0.03 -0.07 -0.67 0.00 0.00 178.83 179.13 1x1m h LEU 53 N -0.66 -0.08 -0.41 1.46 4.07 -0.10 -2.27 115.31 117.32 1x1m h LEU 53 Ca -0.35 -0.04 0.05 0.00 0.08 0.00 0.00 57.88 57.62 1x1m h LEU 53 Cb 1.53 0.02 -0.05 0.00 1.08 0.00 0.00 40.66 43.24 1x1m h LEU 53 CO -0.10 -0.02 0.14 0.40 -1.08 0.00 0.00 178.44 177.78 1x1m h ILE 54 N -0.14 0.87 -0.74 1.22 5.03 -1.36 -1.22 117.51 121.16 1x1m h ILE 54 Ca -0.01 -0.10 0.11 0.00 -0.12 0.00 0.00 64.86 64.73 1x1m h ILE 54 Cb 0.11 0.54 -0.05 0.00 -3.03 0.00 0.00 36.82 34.39 1x1m h ILE 54 CO 0.02 0.06 0.49 0.00 -0.68 0.00 0.00 178.15 178.03 1x1m h ALA 55 N 1.27 1.89 0.00 1.87 0.00 -1.55 0.35 119.26 123.09 1x1m h ALA 55 Ca 0.19 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 1x1m h ALA 55 Cb 0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1x1m h ALA 55 CO -0.20 -0.05 -0.44 0.78 0.00 0.00 0.00 179.25 179.34 1x1m h GLY 56 N 0.60 0.00 1.71 0.00 0.00 -0.66 -2.80 103.07 101.92 1x1m h GLY 56 Ca 0.35 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.44 1x1m h GLY 56 CO -0.12 0.00 -1.20 0.50 0.00 0.00 0.00 176.54 175.71 1x1m h LYS 57 N 0.00 0.01 -0.80 4.80 1.79 -0.17 -3.28 116.57 118.92 1x1m h LYS 57 Ca -0.00 -0.02 -0.33 0.00 -2.18 0.00 0.00 60.65 58.11 1x1m h LYS 57 Cb 1.09 0.01 -0.20 0.00 -1.58 0.00 0.00 32.23 31.55 1x1m h LYS 57 CO 0.06 0.88 0.39 1.28 -1.08 0.00 0.00 179.45 180.98 1x1m n LEU 58 N -3.28 6.16 0.30 2.94 4.77 -0.11 -4.60 117.00 123.19 1x1m n LEU 58 Ca -0.05 -3.42 0.10 0.00 -0.03 0.00 0.00 56.01 52.61 1x1m n LEU 58 Cb 0.97 -0.77 0.55 0.00 -2.33 0.00 0.00 43.42 41.84 1x1m n LEU 58 CO 0.47 0.94 1.03 1.56 -1.33 0.00 0.00 177.39 180.06 1x1m h GLN 59 N 1.85 0.00 -0.93 3.23 4.20 -1.56 0.41 115.11 122.30 1x1m h GLN 59 Ca 0.41 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 59.11 1x1m h GLN 59 Cb 2.49 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 30.22 1x1m h GLN 59 CO 0.85 0.00 0.55 1.05 -0.67 0.00 0.00 178.83 180.61 1x1m h GLU 60 N 0.00 1.27 0.00 1.46 4.11 -1.89 -3.36 114.58 116.18 1x1m h GLU 60 Ca 0.00 -0.12 -0.12 0.00 0.07 0.00 0.00 59.36 59.19 1x1m h GLU 60 Cb 0.95 -0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.92 1x1m h GLU 60 CO 0.00 0.90 -1.43 0.43 0.07 0.00 0.00 179.01 178.98 1x1m n SER 61 N -4.35 2.89 -4.65 3.06 7.64 0.54 -4.98 113.62 113.78 1x1m n SER 61 Ca 0.10 -0.01 -0.43 0.00 1.01 0.00 0.00 58.87 59.54 1x1m n SER 61 Cb 0.07 -0.14 -0.02 0.00 -1.01 0.00 0.00 64.21 63.11 1x1m n SER 61 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1x1m s VAL 62 N -2.15 4.21 -0.02 0.44 1.01 0.11 -4.93 120.40 119.07 1x1m s VAL 62 Ca -0.10 1.44 -0.25 0.00 0.00 0.00 0.00 61.98 63.06 1x1m s VAL 62 Cb 0.03 -4.02 -0.19 0.00 0.00 0.00 0.00 36.38 32.20 1x1m s VAL 62 CO 0.17 -0.23 1.21 1.55 0.00 0.00 0.00 175.10 177.80 1x1m h PRO 63 N 8.60 -0.08 -3.46 2.72 0.13 -1.86 -3.37 132.00 134.68 1x1m h PRO 63 Ca -0.27 0.01 -0.13 0.00 -0.87 0.00 0.00 66.00 64.74 1x1m h PRO 63 Cb 1.10 0.02 -0.19 0.00 0.13 0.00 0.00 31.00 32.06 1x1m h PRO 63 CO 0.99 0.37 -0.43 -0.51 -0.23 0.00 0.00 178.00 178.19 1x1m s ASP 64 N -5.58 0.00 0.17 1.44 1.01 -1.26 -5.03 116.67 107.42 1x1m s ASP 64 Ca -0.15 -0.23 0.20 0.00 0.71 0.00 0.00 52.55 53.08 1x1m s ASP 64 Cb 0.02 0.25 0.85 0.00 1.01 0.00 0.00 42.92 45.05 1x1m s ASP 64 CO 0.63 -0.45 1.62 -0.81 0.21 0.00 0.00 175.17 176.38 1x1m n PRO 65 N 1.16 0.13 -0.02 8.23 -0.04 -1.26 -2.48 135.00 140.71 1x1m n PRO 65 Ca -0.21 0.37 -0.05 0.00 -0.04 0.00 0.00 63.50 63.56 1x1m n PRO 65 Cb 0.57 -1.75 -0.13 0.00 -0.04 0.00 0.00 33.50 32.15 1x1m n PRO 65 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1x1m n GLU 66 N -1.98 0.64 -0.50 0.54 1.02 -1.26 -4.02 120.64 115.07 1x1m n GLU 66 Ca 0.02 0.18 0.01 0.00 -0.02 0.00 0.00 57.16 57.35 1x1m n GLU 66 Cb 0.20 -1.72 0.19 0.00 -0.02 0.00 0.00 31.44 30.10 1x1m n GLU 66 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1x1m n LEU 67 N -2.89 3.74 -4.18 -4.62 4.77 -1.03 -4.88 117.00 107.90 1x1m n LEU 67 Ca -0.18 -1.91 -0.13 0.00 -0.03 0.00 0.00 56.01 53.76 1x1m n LEU 67 Cb 0.99 -0.61 -0.09 0.00 -2.33 0.00 0.00 43.42 41.38 1x1m n LEU 67 CO 0.44 0.50 -0.14 0.27 -1.33 0.00 0.00 177.39 177.13 1x1m s ILE 68 N -1.89 0.00 0.25 -0.08 -5.25 -1.22 -2.19 121.20 110.82 1x1m s ILE 68 Ca 0.29 -1.90 -0.02 0.00 -0.99 0.00 0.00 60.65 58.02 1x1m s ILE 68 Cb 0.22 -2.47 -0.02 0.00 2.95 0.00 0.00 42.46 43.14 1x1m s ILE 68 CO 0.08 0.00 0.28 -1.81 -1.79 0.00 0.00 174.94 171.70 1x1m s ASP 69 N -3.19 0.47 -0.06 4.36 1.01 0.69 -4.79 116.67 115.16 1x1m s ASP 69 Ca 0.37 -1.37 0.05 0.00 0.71 0.00 0.00 52.55 52.31 1x1m s ASP 69 Cb 0.05 0.50 -0.01 0.00 1.01 0.00 0.00 42.92 44.46 1x1m s ASP 69 CO 0.15 -1.01 -0.22 -0.22 0.21 0.00 0.00 175.17 174.07 1x1m s LEU 70 N -3.18 2.23 -0.08 1.23 2.96 -1.26 -1.84 118.68 118.74 1x1m s LEU 70 Ca 0.35 -0.44 0.05 0.00 -0.22 0.00 0.00 54.13 53.86 1x1m s LEU 70 Cb 0.03 -1.42 -0.00 0.00 0.50 0.00 0.00 46.19 45.30 1x1m s LEU 70 CO 0.15 0.26 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.58 1x1m s ILE 71 N -0.27 2.00 0.01 6.68 -1.09 0.14 -1.88 121.20 126.79 1x1m s ILE 71 Ca -0.00 -1.00 -0.04 0.00 -2.23 0.00 0.00 60.65 57.37 1x1m s ILE 71 Cb -0.13 -1.72 -0.01 0.00 -1.58 0.00 0.00 42.46 39.02 1x1m s ILE 71 CO 0.03 0.55 0.07 -0.47 -1.23 0.00 0.00 174.94 173.88 1x1m s TYR 72 N 0.18 0.14 -1.58 3.97 6.14 0.49 -0.44 117.35 126.25 1x1m s TYR 72 Ca -0.13 -0.31 -0.17 0.00 0.64 0.00 0.00 57.07 57.10 1x1m s TYR 72 Cb -0.16 -0.11 0.15 0.00 0.42 0.00 0.00 41.96 42.26 1x1m s TYR 72 CO 0.07 -0.25 0.65 0.00 0.64 0.00 0.00 175.55 176.66 1x1m n GLY 74 N -1.22 -0.44 3.58 0.00 0.00 -1.26 -4.99 105.19 100.85 1x1m n GLY 74 Ca 0.07 0.09 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 1x1m n GLY 74 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1x1m s ARG 75 N -5.72 0.83 0.49 1.61 1.70 0.23 -5.16 118.95 112.92 1x1m s ARG 75 Ca 0.33 0.84 -0.22 0.00 -0.47 0.00 0.00 55.73 56.21 1x1m s ARG 75 Cb -0.14 0.40 -0.07 0.00 -0.57 0.00 0.00 34.95 34.57 1x1m s ARG 75 CO 0.41 -0.13 1.18 0.21 -1.08 0.00 0.00 175.30 175.89 1x1m s LYS 76 N 0.12 3.60 -0.29 3.89 2.20 -1.26 -0.38 119.74 127.62 1x1m s LYS 76 Ca -0.02 1.80 -0.08 0.00 -0.36 0.00 0.00 55.97 57.32 1x1m s LYS 76 Cb -0.04 -2.31 -0.01 0.00 -1.51 0.00 0.00 37.83 33.96 1x1m s LYS 76 CO 0.02 -0.69 0.10 -0.51 -0.36 0.00 0.00 175.35 173.91 1x1m s LEU 77 N -3.24 3.81 0.68 5.43 1.43 -0.79 -4.86 118.68 121.13 1x1m s LEU 77 Ca 0.66 -0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 53.14 1x1m s LEU 77 Cb -0.29 -1.93 -0.00 0.00 0.03 0.00 0.00 46.19 44.00 1x1m s LEU 77 CO 0.35 -0.15 1.06 -0.54 0.23 0.00 0.00 176.35 177.30 1x1m s LYS 78 N 1.57 3.10 0.00 1.70 1.02 -1.26 -4.70 119.74 121.17 1x1m s LYS 78 Ca 0.04 0.74 0.28 0.00 0.02 0.00 0.00 55.97 57.06 1x1m s LYS 78 Cb -0.17 -2.03 1.41 0.00 -0.52 0.00 0.00 37.83 36.52 1x1m s LYS 78 CO 0.04 -0.92 1.97 -3.47 -0.92 0.00 0.00 175.35 172.05 1x1m n ASP 79 N -2.98 0.00 -1.55 2.83 2.03 -1.26 -3.23 116.55 112.40 1x1m n ASP 79 Ca 0.07 -0.03 -0.04 0.00 0.52 0.00 0.00 54.79 55.31 1x1m n ASP 79 Cb 0.55 -0.32 0.19 0.00 -0.72 0.00 0.00 41.12 40.82 1x1m n ASP 79 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1x1m n ASP 80 N -1.32 3.74 -4.23 1.67 8.00 -1.26 -4.47 116.55 118.67 1x1m n ASP 80 Ca 0.13 -2.77 -0.13 0.00 0.71 0.00 0.00 54.79 52.72 1x1m n ASP 80 Cb 0.24 -0.66 -0.10 0.00 -0.02 0.00 0.00 41.12 40.58 1x1m n ASP 80 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1x1m s GLN 81 N -2.07 1.27 0.34 -1.24 1.11 -1.20 -5.08 119.66 112.79 1x1m s GLN 81 Ca 0.35 -1.67 0.06 0.00 0.01 0.00 0.00 55.36 54.11 1x1m s GLN 81 Cb 0.28 0.10 -0.07 0.00 -1.01 0.00 0.00 33.01 32.31 1x1m s GLN 81 CO 0.08 -0.36 -0.01 0.95 0.01 0.00 0.00 175.29 175.96 1x1m s THR 82 N -4.03 1.72 0.27 -0.19 -4.23 -1.26 -2.03 115.64 105.89 1x1m s THR 82 Ca 0.39 -2.07 -0.00 0.00 -1.18 0.00 0.00 61.69 58.83 1x1m s THR 82 Cb 0.07 -2.74 0.26 0.00 1.34 0.00 0.00 72.50 71.44 1x1m s THR 82 CO 0.13 -0.11 1.82 -0.07 -0.54 0.00 0.00 174.62 175.84 1x1m h LEU 83 N 2.04 0.84 0.19 4.79 -0.00 -1.84 -2.45 115.31 118.88 1x1m h LEU 83 Ca -0.42 0.05 -0.01 0.00 -0.00 0.00 0.00 57.88 57.51 1x1m h LEU 83 Cb 1.24 -0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.79 1x1m h LEU 83 CO 0.72 0.45 -0.09 -0.78 -0.00 0.00 0.00 178.44 178.74 1x1m h ASP 84 N 0.92 -0.21 -1.00 -0.43 1.82 -1.89 0.21 116.42 115.84 1x1m h ASP 84 Ca 0.47 -0.32 0.39 0.00 -0.39 0.00 0.00 57.03 57.18 1x1m h ASP 84 Cb 0.47 0.05 -0.17 0.00 0.68 0.00 0.00 39.33 40.36 1x1m h ASP 84 CO -0.27 0.28 0.52 0.15 -1.61 0.00 0.00 179.24 178.32 1x1m h PHE 85 N -0.79 0.81 0.02 0.28 3.57 -1.88 1.00 116.94 119.96 1x1m h PHE 85 Ca -0.03 0.04 -0.26 0.00 3.53 0.00 0.00 57.97 61.25 1x1m h PHE 85 Cb 0.52 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.04 1x1m h PHE 85 CO 0.07 -0.41 -1.40 1.88 -2.23 0.00 0.00 178.31 176.22 1x1m h TYR 86 N 0.07 0.08 -0.44 0.41 0.05 -1.45 -3.48 116.97 112.20 1x1m h TYR 86 Ca 0.81 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 59.53 1x1m h TYR 86 Cb 2.07 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.81 1x1m h TYR 86 CO -0.03 1.07 0.00 0.41 -1.05 0.00 0.00 178.16 178.56 1x1m n GLY 87 N 1.50 0.69 3.89 3.88 0.00 0.35 -5.10 105.19 110.40 1x1m n GLY 87 Ca -0.10 -0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 1x1m n GLY 87 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x1m s ILE 88 N -1.86 5.34 0.16 -0.61 1.01 0.58 -5.01 121.20 120.83 1x1m s ILE 88 Ca 0.00 0.13 0.05 0.00 0.00 0.00 0.00 60.65 60.83 1x1m s ILE 88 Cb 0.00 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 38.88 1x1m s ILE 88 CO 0.00 0.39 -0.10 0.00 0.00 0.00 0.00 174.94 175.24 1x1m s GLN 89 N -1.68 1.13 -1.17 2.79 0.00 -1.26 -4.68 119.66 114.80 1x1m s GLN 89 Ca 0.26 -1.50 -0.23 0.00 -0.00 0.00 0.00 55.36 53.89 1x1m s GLN 89 Cb -0.13 -0.71 -0.08 0.00 0.00 0.00 0.00 33.01 32.09 1x1m s GLN 89 CO 0.15 0.08 1.94 -1.25 0.00 0.00 0.00 175.29 176.20 1x1m s PRO 90 N -3.74 2.50 0.00 9.60 0.04 -1.26 -2.55 135.00 139.58 1x1m s PRO 90 Ca 0.19 -1.11 0.00 0.00 0.04 0.00 0.00 61.00 60.12 1x1m s PRO 90 Cb 0.02 -5.23 0.00 0.00 0.04 0.00 0.00 34.50 29.33 1x1m s PRO 90 CO 0.02 -3.95 0.00 0.41 0.04 0.00 0.00 177.00 173.53 1x1m n GLY 91 N 5.88 0.01 3.50 0.56 0.00 -1.25 -4.86 105.19 109.03 1x1m n GLY 91 Ca 0.44 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.16 1x1m n GLY 91 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x1m s SER 92 N 0.00 0.34 -0.11 1.61 1.04 -1.06 -4.70 113.70 110.82 1x1m s SER 92 Ca 0.00 0.74 0.01 0.00 0.48 0.00 0.00 55.95 57.18 1x1m s SER 92 Cb 0.00 -1.04 0.02 0.00 0.10 0.00 0.00 66.02 65.09 1x1m s SER 92 CO 0.00 -4.49 -0.13 -0.89 0.98 0.00 0.00 173.24 168.71 1x1m s THR 93 N -2.77 1.40 0.22 2.02 2.01 -1.26 -2.79 115.64 114.47 1x1m s THR 93 Ca 0.70 -0.56 0.07 0.00 0.31 0.00 0.00 61.69 62.21 1x1m s THR 93 Cb -0.11 -1.30 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 1x1m s THR 93 CO 0.57 0.42 0.10 0.68 -0.69 0.00 0.00 174.62 175.70 1x1m s VAL 94 N 1.18 4.08 -0.14 3.82 -7.23 -0.86 -4.80 120.40 116.46 1x1m s VAL 94 Ca -0.03 -1.45 0.02 0.00 -1.81 0.00 0.00 61.98 58.71 1x1m s VAL 94 Cb -0.14 -3.14 0.00 0.00 0.56 0.00 0.00 36.38 33.66 1x1m s VAL 94 CO -0.04 -0.25 -0.19 -1.00 -0.31 0.00 0.00 175.10 173.31 1x1m s HIS 95 N -2.01 2.71 0.12 2.82 3.76 0.42 -0.90 115.29 122.21 1x1m s HIS 95 Ca 0.31 -1.18 -0.21 0.00 -0.15 0.00 0.00 55.06 53.82 1x1m s HIS 95 Cb -0.08 -1.84 -0.07 0.00 1.11 0.00 0.00 32.58 31.69 1x1m s HIS 95 CO 0.22 -0.53 0.65 0.08 -0.85 0.00 0.00 174.74 174.31 1x1m s VAL 96 N 0.78 4.60 -0.09 -0.90 1.01 0.61 0.24 120.40 126.64 1x1m s VAL 96 Ca -0.07 1.38 -0.02 0.00 0.00 0.00 0.00 61.98 63.27 1x1m s VAL 96 Cb -0.16 -3.97 0.04 0.00 0.00 0.00 0.00 36.38 32.29 1x1m s VAL 96 CO -0.00 0.51 0.02 -0.22 0.00 0.00 0.00 175.10 175.41 1x1m s LEU 97 N -1.22 0.59 0.09 3.92 1.98 -0.77 -1.49 118.68 121.78 1x1m s LEU 97 Ca 0.33 -0.21 -0.27 0.00 -2.89 0.00 0.00 54.13 51.08 1x1m s LEU 97 Cb -0.20 -0.40 -0.06 0.00 0.66 0.00 0.00 46.19 46.19 1x1m s LEU 97 CO 0.22 -0.23 0.84 0.00 -1.89 0.00 0.00 176.35 175.28 1x1m s ARG 98 N 2.00 4.59 0.09 1.98 1.70 -1.26 -0.22 118.95 127.82 1x1m s ARG 98 Ca 0.04 1.22 -0.30 0.00 -0.47 0.00 0.00 55.73 56.22 1x1m s ARG 98 Cb -0.13 -3.35 -0.15 0.00 -0.57 0.00 0.00 34.95 30.74 1x1m s ARG 98 CO -0.06 0.31 1.64 0.87 -1.08 0.00 0.00 175.30 176.99 1x1m h LYS 99 N 5.38 -0.64 -5.11 3.89 1.57 -1.75 -3.47 116.57 116.44 1x1m h LYS 99 Ca -0.44 0.04 -0.33 0.00 -1.87 0.00 0.00 60.65 58.05 1x1m h LYS 99 Cb 1.21 0.15 0.12 0.00 0.08 0.00 0.00 32.23 33.78 1x1m h LYS 99 CO 0.70 -0.43 -0.59 0.45 -0.57 0.00 0.00 179.45 179.02 1x1m n SER 100 N -5.40 -5.17 -0.29 0.86 2.88 -1.26 -4.86 113.62 100.38 1x1m n SER 100 Ca -0.11 -0.47 0.13 0.00 -1.33 0.00 0.00 58.87 57.10 1x1m n SER 100 Cb 0.30 -4.36 0.26 0.00 -0.75 0.00 0.00 64.21 59.67 1x1m n SER 100 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1x1m n TRP 101 N -4.48 0.56 -3.76 0.66 4.27 -1.26 -4.73 117.44 108.70 1x1m n TRP 101 Ca -0.03 1.02 -0.02 0.00 -3.89 0.00 0.00 57.50 54.58 1x1m n TRP 101 Cb 0.57 -1.15 -0.00 0.00 -1.36 0.00 0.00 31.31 29.36 1x1m n TRP 101 CO 0.00 0.00 0.00 0.45 -2.29 0.00 0.00 177.69 175.85 1x1m s SER 102 N -4.98 -0.09 -0.69 -0.67 0.15 -1.26 -5.10 113.70 101.06 1x1m s SER 102 Ca -0.11 -0.38 0.05 0.00 0.70 0.00 0.00 55.95 56.21 1x1m s SER 102 Cb 0.25 0.38 0.22 0.00 -1.71 0.00 0.00 66.02 65.16 1x1m s SER 102 CO 0.66 -0.72 0.68 0.61 1.20 0.00 0.00 173.24 175.67 1x1m n GLY 103 N -0.56 4.52 3.77 9.45 0.00 -1.26 -5.09 105.19 116.03 1x1m n GLY 103 Ca -0.05 -2.70 -0.36 0.00 0.00 0.00 0.00 46.02 42.91 1x1m n GLY 103 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x1m s PRO 104 N -2.09 3.46 0.20 1.61 0.04 -1.26 -5.02 135.00 131.94 1x1m s PRO 104 Ca 0.34 1.65 -0.20 0.00 0.04 0.00 0.00 61.00 62.83 1x1m s PRO 104 Cb 0.07 -2.11 -0.08 0.00 0.04 0.00 0.00 34.50 32.42 1x1m s PRO 104 CO -0.07 -0.77 0.71 -1.54 0.04 0.00 0.00 177.00 175.37 1x1m s SER 105 N -1.67 7.08 -0.13 6.66 1.04 -1.26 -5.00 113.70 120.42 1x1m s SER 105 Ca 0.70 1.42 -0.27 0.00 0.48 0.00 0.00 55.95 58.28 1x1m s SER 105 Cb -0.25 -2.42 -0.26 0.00 0.10 0.00 0.00 66.02 63.19 1x1m s SER 105 CO 0.29 0.07 0.73 0.77 0.98 0.00 0.00 173.24 176.08 1x1m h SER 106 N 3.60 0.08 0.00 7.02 4.64 -2.07 -3.57 113.55 123.25 1x1m h SER 106 Ca -0.48 -0.95 0.00 0.00 -0.47 0.00 0.00 61.79 59.89 1x1m h SER 106 Cb 1.20 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 1x1m h SER 106 CO 0.65 1.12 0.00 0.61 -0.87 0.00 0.00 176.83 178.34