#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 6.52 -0.11 1.61 0.15 -1.26 -4.99 113.70 115.62 1x1m s SER 2 Ca 0.00 2.63 0.01 0.00 0.70 0.00 0.00 55.95 59.29 1x1m s SER 2 Cb 0.00 -2.57 -0.02 0.00 -1.71 0.00 0.00 66.02 61.72 1x1m s SER 2 CO 0.00 -0.93 -0.13 -0.94 1.20 0.00 0.00 173.24 172.44 1x1m s SER 3 N 2.27 4.01 -0.15 5.45 1.04 -1.26 -5.11 113.70 119.95 1x1m s SER 3 Ca 0.76 -0.29 -0.03 0.00 0.48 0.00 0.00 55.95 56.88 1x1m s SER 3 Cb -0.43 -1.38 -0.02 0.00 0.10 0.00 0.00 66.02 64.29 1x1m s SER 3 CO 0.34 0.22 -0.07 -0.83 0.98 0.00 0.00 173.24 173.88 1x1m s GLY 4 N 0.02 1.65 0.19 7.32 0.00 -1.26 -5.11 107.32 110.14 1x1m s GLY 4 Ca -0.04 -0.88 -0.17 0.00 0.00 0.00 0.00 44.72 43.63 1x1m s GLY 4 CO 0.04 -0.06 0.64 -1.35 0.00 0.00 0.00 173.10 172.38 1x1m s SER 5 N 0.47 6.94 -0.21 1.64 1.04 -1.26 -5.01 113.70 117.32 1x1m s SER 5 Ca -0.05 1.26 -0.11 0.00 0.48 0.00 0.00 55.95 57.52 1x1m s SER 5 Cb -0.15 -2.36 -0.09 0.00 0.10 0.00 0.00 66.02 63.53 1x1m s SER 5 CO 0.03 0.06 -0.27 -0.24 0.98 0.00 0.00 173.24 173.79 1x1m n SER 6 N 0.72 1.51 -0.77 7.02 2.88 -1.26 -5.13 113.62 118.60 1x1m n SER 6 Ca -0.03 0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 1x1m n SER 6 Cb 0.51 -0.63 0.00 0.00 -0.75 0.00 0.00 64.21 63.35 1x1m n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x1m n GLY 7 N 1.68 -2.37 3.90 0.46 0.00 -1.26 -5.06 105.19 102.54 1x1m n GLY 7 Ca -0.40 -0.68 -0.28 0.00 0.00 0.00 0.00 46.02 44.66 1x1m n GLY 7 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1x1m s MET 8 N -2.07 3.59 1.03 1.61 0.00 -1.26 -5.06 119.30 117.15 1x1m s MET 8 Ca 0.00 0.21 -0.18 0.00 0.00 0.00 0.00 55.69 55.72 1x1m s MET 8 Cb 0.00 -2.42 0.07 0.00 0.00 0.00 0.00 34.83 32.49 1x1m s MET 8 CO 0.00 -0.12 -0.16 0.43 0.00 0.00 0.00 175.02 175.17 1x1m n SER 9 N -1.95 -2.71 -4.83 1.11 7.64 -1.26 -4.98 113.62 106.65 1x1m n SER 9 Ca 0.00 -0.20 -0.33 0.00 1.01 0.00 0.00 58.87 59.35 1x1m n SER 9 Cb 0.55 -0.78 -0.06 0.00 -1.01 0.00 0.00 64.21 62.91 1x1m n SER 9 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1x1m s LEU 10 N 1.34 4.09 0.13 -3.43 2.01 -1.26 -5.11 118.68 116.46 1x1m s LEU 10 Ca 0.42 0.22 0.09 0.00 0.01 0.00 0.00 54.13 54.87 1x1m s LEU 10 Cb -0.05 -2.42 -0.04 0.00 0.01 0.00 0.00 46.19 43.69 1x1m s LEU 10 CO 0.50 0.26 -0.15 -0.55 1.01 0.00 0.00 176.35 177.43 1x1m s SER 11 N -1.85 4.05 -0.10 2.29 0.15 -1.26 -4.93 113.70 112.05 1x1m s SER 11 Ca 0.25 -0.53 -0.18 0.00 0.70 0.00 0.00 55.95 56.19 1x1m s SER 11 Cb -0.12 -0.63 -0.27 0.00 -1.71 0.00 0.00 66.02 63.28 1x1m s SER 11 CO 0.16 0.16 0.62 0.44 1.20 0.00 0.00 173.24 175.82 1x1m h ASP 12 N 3.55 0.36 -3.06 5.45 3.32 -1.99 -3.45 116.42 120.59 1x1m h ASP 12 Ca -0.49 -0.86 -0.54 0.00 0.02 0.00 0.00 57.03 55.16 1x1m h ASP 12 Cb 1.18 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 1x1m h ASP 12 CO 0.49 1.53 0.70 0.86 -1.72 0.00 0.00 179.24 181.11 1x1m s TRP 13 N -2.45 3.16 0.24 4.55 -0.11 -1.26 -5.02 118.94 118.05 1x1m s TRP 13 Ca -0.19 1.11 0.05 0.00 1.22 0.00 0.00 56.10 58.28 1x1m s TRP 13 Cb 0.03 -3.51 -0.05 0.00 -1.50 0.00 0.00 33.47 28.45 1x1m s TRP 13 CO 0.77 -1.69 -0.03 -3.38 -4.62 0.00 0.00 176.95 167.99 1x1m s HIS 14 N 1.90 1.67 0.07 5.86 -3.43 -1.26 -4.10 115.29 116.00 1x1m s HIS 14 Ca 0.59 -0.83 -0.14 0.00 -0.80 0.00 0.00 55.06 53.89 1x1m s HIS 14 Cb -0.29 -0.95 0.02 0.00 -1.43 0.00 0.00 32.58 29.93 1x1m s HIS 14 CO 0.26 0.08 0.32 -1.17 -2.00 0.00 0.00 174.74 172.22 1x1m s LEU 15 N -3.34 0.83 0.17 5.38 2.96 -0.98 -4.37 118.68 119.33 1x1m s LEU 15 Ca 0.28 -0.29 -0.01 0.00 -0.22 0.00 0.00 54.13 53.88 1x1m s LEU 15 Cb 0.05 1.44 -0.04 0.00 0.50 0.00 0.00 46.19 48.14 1x1m s LEU 15 CO 0.09 -0.70 0.36 0.00 -1.32 0.00 0.00 176.35 174.79 1x1m s ALA 16 N -3.10 3.85 -0.01 5.97 0.00 -1.07 -1.78 121.76 125.61 1x1m s ALA 16 Ca -0.01 -0.77 0.02 0.00 0.00 0.00 0.00 51.96 51.19 1x1m s ALA 16 Cb 0.01 -2.00 0.00 0.00 0.00 0.00 0.00 23.12 21.13 1x1m s ALA 16 CO -0.07 0.54 -0.06 0.08 0.00 0.00 0.00 175.76 176.25 1x1m s VAL 17 N -1.78 0.49 0.02 0.00 1.01 0.18 -2.51 120.40 117.82 1x1m s VAL 17 Ca 0.39 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 62.14 1x1m s VAL 17 Cb -0.11 -0.44 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 1x1m s VAL 17 CO 0.28 0.16 -0.04 -0.54 0.00 0.00 0.00 175.10 174.96 1x1m s LYS 18 N 0.09 0.33 -0.35 2.72 -0.14 0.33 -1.16 119.74 121.57 1x1m s LYS 18 Ca -0.01 -0.60 -0.15 0.00 -1.36 0.00 0.00 55.97 53.85 1x1m s LYS 18 Cb -0.05 0.02 -0.01 0.00 -1.68 0.00 0.00 37.83 36.11 1x1m s LYS 18 CO -0.00 -0.03 0.36 -1.17 -0.76 0.00 0.00 175.35 173.75 1x1m s LEU 19 N -1.38 4.49 0.33 3.17 2.96 -1.26 -1.34 118.68 125.65 1x1m s LEU 19 Ca -0.14 -0.29 0.02 0.00 -0.22 0.00 0.00 54.13 53.51 1x1m s LEU 19 Cb -0.09 -2.33 0.58 0.00 0.50 0.00 0.00 46.19 44.85 1x1m s LEU 19 CO -0.01 -0.36 1.93 0.00 -1.32 0.00 0.00 176.35 176.60 1x1m h ALA 20 N 8.49 1.42 0.00 5.97 0.00 -1.69 -1.63 119.26 131.82 1x1m h ALA 20 Ca -0.30 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.43 1x1m h ALA 20 Cb 1.14 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1x1m h ALA 20 CO 0.70 0.45 -0.27 0.22 0.00 0.00 0.00 179.25 180.34 1x1m h ASP 21 N 0.73 0.00 -2.96 0.00 3.58 -1.93 -3.37 116.42 112.47 1x1m h ASP 21 Ca 0.18 0.00 -0.60 0.00 0.42 0.00 0.00 57.03 57.03 1x1m h ASP 21 Cb 0.12 0.00 -0.39 0.00 1.72 0.00 0.00 39.33 40.78 1x1m h ASP 21 CO -0.02 0.27 -0.81 -1.10 -2.88 0.00 0.00 179.24 174.71 1x1m s GLN 22 N -3.75 1.08 0.00 0.28 -0.21 -0.62 -4.95 119.66 111.48 1x1m s GLN 22 Ca -0.00 -1.93 0.15 0.00 0.02 0.00 0.00 55.36 53.60 1x1m s GLN 22 Cb 0.11 -1.93 0.76 0.00 1.00 0.00 0.00 33.01 32.96 1x1m s GLN 22 CO 0.65 -1.23 1.40 -0.35 -2.12 0.00 0.00 175.29 173.64 1x1m n PRO 23 N 3.43 0.23 -0.04 2.91 -0.04 -1.15 -2.23 135.00 138.11 1x1m n PRO 23 Ca 0.15 0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.75 1x1m n PRO 23 Cb 0.38 -1.50 -0.15 0.00 -0.04 0.00 0.00 33.50 32.19 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 -1.26 0.16 -4.53 1.53 4.77 -1.26 -4.98 117.00 111.43 1x1m n LEU 24 Ca 0.07 0.07 -0.39 0.00 -0.03 0.00 0.00 56.01 55.74 1x1m n LEU 24 Cb 0.11 0.22 0.04 0.00 -2.33 0.00 0.00 43.42 41.46 1x1m n LEU 24 CO 0.11 0.23 0.27 0.00 -1.33 0.00 0.00 177.39 176.67 1x1m n ALA 25 N -2.48 -0.61 -2.15 -1.18 0.00 -0.94 -4.87 120.51 108.27 1x1m n ALA 25 Ca -0.17 0.03 -0.42 0.00 0.00 0.00 0.00 53.44 52.88 1x1m n ALA 25 Cb 0.86 -1.94 -0.03 0.00 0.00 0.00 0.00 19.45 18.34 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 -2.23 4.21 0.47 0.00 0.04 -1.26 -4.90 135.00 131.33 1x1m s PRO 26 Ca 0.70 2.02 -0.20 0.00 0.04 0.00 0.00 61.00 63.55 1x1m s PRO 26 Cb -0.46 -3.84 -0.13 0.00 0.04 0.00 0.00 34.50 30.10 1x1m s PRO 26 CO 0.53 -0.76 0.23 1.17 0.04 0.00 0.00 177.00 178.21 1x1m n LYS 27 N 6.64 0.24 -4.98 4.56 4.81 -1.26 -4.98 118.16 123.20 1x1m n LYS 27 Ca 0.16 0.09 -0.28 0.00 -0.87 0.00 0.00 58.31 57.41 1x1m n LYS 27 Cb 0.43 -1.27 -0.16 0.00 0.02 0.00 0.00 35.03 34.05 1x1m n LYS 27 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 1x1m s SER 28 N -1.02 2.46 -0.19 3.14 0.01 -0.31 -4.98 113.70 112.81 1x1m s SER 28 Ca 0.62 -0.41 -0.09 0.00 1.31 0.00 0.00 55.95 57.38 1x1m s SER 28 Cb -0.55 -0.69 -0.05 0.00 0.21 0.00 0.00 66.02 64.95 1x1m s SER 28 CO 0.61 0.18 0.12 -0.63 0.41 0.00 0.00 173.24 173.93 1x1m s ILE 29 N -0.02 5.29 0.09 1.44 -1.09 -1.26 0.48 121.20 126.13 1x1m s ILE 29 Ca -0.04 0.15 0.07 0.00 -2.23 0.00 0.00 60.65 58.60 1x1m s ILE 29 Cb -0.12 -3.41 -0.04 0.00 -1.58 0.00 0.00 42.46 37.31 1x1m s ILE 29 CO 0.03 0.45 -0.13 -0.22 -1.23 0.00 0.00 174.94 173.83 1x1m s LEU 30 N 0.33 2.89 -0.30 2.97 2.96 -0.73 -4.99 118.68 121.81 1x1m s LEU 30 Ca 0.07 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.58 1x1m s LEU 30 Cb -0.11 -1.70 0.09 0.00 0.50 0.00 0.00 46.19 44.96 1x1m s LEU 30 CO -0.02 0.20 0.05 -1.10 -1.32 0.00 0.00 176.35 174.17 1x1m s GLN 31 N -1.98 1.11 0.59 1.98 -0.21 -1.26 -2.32 119.66 117.58 1x1m s GLN 31 Ca 0.19 -1.26 -0.17 0.00 0.02 0.00 0.00 55.36 54.14 1x1m s GLN 31 Cb -0.11 -2.46 -0.03 0.00 1.00 0.00 0.00 33.01 31.40 1x1m s GLN 31 CO 0.11 -0.88 1.12 -0.48 -2.12 0.00 0.00 175.29 173.04 1x1m s LEU 32 N 1.38 3.59 -0.14 2.90 0.05 -1.26 -4.96 118.68 120.24 1x1m s LEU 32 Ca 0.06 2.09 -0.29 0.00 0.05 0.00 0.00 54.13 56.04 1x1m s LEU 32 Cb -0.18 -4.57 -0.04 0.00 -2.05 0.00 0.00 46.19 39.36 1x1m s LEU 32 CO -0.16 -1.39 1.55 -2.16 -0.55 0.00 0.00 176.35 173.65 1x1m s PRO 33 N -3.66 4.06 1.00 1.48 0.04 -1.26 -4.78 135.00 131.88 1x1m s PRO 33 Ca 0.70 1.89 -0.20 0.00 0.04 0.00 0.00 61.00 63.42 1x1m s PRO 33 Cb -0.22 -3.95 -0.14 0.00 0.04 0.00 0.00 34.50 30.23 1x1m s PRO 33 CO 0.33 -0.97 -0.91 -0.85 0.04 0.00 0.00 177.00 174.64 1x1m n GLU 34 N 7.20 -0.11 -4.27 4.56 -0.00 -1.26 -5.01 120.64 121.76 1x1m n GLU 34 Ca 0.17 -0.03 -0.15 0.00 -0.00 0.00 0.00 57.16 57.15 1x1m n GLU 34 Cb 0.44 -1.11 -0.10 0.00 -0.00 0.00 0.00 31.44 30.67 1x1m n GLU 34 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.13 177.05 1x1m s THR 35 N -2.05 1.29 0.13 3.84 -1.32 -1.26 -5.01 115.64 111.26 1x1m s THR 35 Ca 0.41 -2.06 0.25 0.00 -1.21 0.00 0.00 61.69 59.07 1x1m s THR 35 Cb -0.09 -1.86 0.25 0.00 -1.51 0.00 0.00 72.50 69.29 1x1m s THR 35 CO 0.75 -0.70 1.73 1.05 -2.21 0.00 0.00 174.62 175.24 1x1m h GLU 36 N 2.79 0.00 0.00 7.08 -0.00 -2.01 -3.06 114.58 119.39 1x1m h GLU 36 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.99 1x1m h GLU 36 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.95 1x1m h GLU 36 CO 0.62 0.00 0.00 1.28 -0.00 0.00 0.00 179.01 180.91 1x1m n LEU 37 N -2.43 0.76 0.00 3.06 7.99 -1.26 -5.08 117.00 120.04 1x1m n LEU 37 Ca -0.02 0.49 0.00 0.00 -0.01 0.00 0.00 56.01 56.47 1x1m n LEU 37 Cb 0.17 -0.28 0.00 0.00 -0.11 0.00 0.00 43.42 43.20 1x1m n LEU 37 CO 0.11 -0.28 0.00 0.61 -1.51 0.00 0.00 177.39 176.32 1x1m n GLY 38 N 0.95 2.23 0.17 -0.72 0.00 -1.16 -5.00 105.19 101.67 1x1m n GLY 38 Ca 0.00 -1.19 -0.19 0.00 0.00 0.00 0.00 46.02 44.64 1x1m n GLY 38 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1x1m h GLU 39 N 0.00 0.58 -0.84 1.61 -0.00 -1.98 -3.28 114.58 110.67 1x1m h GLU 39 Ca 0.00 -0.62 0.34 0.00 -0.00 0.00 0.00 59.36 59.08 1x1m h GLU 39 Cb 0.00 0.17 -0.13 0.00 -0.00 0.00 0.00 28.75 28.79 1x1m h GLU 39 CO 0.00 1.23 0.48 2.48 -0.00 0.00 0.00 179.01 183.20 1x1m n TYR 40 N -4.02 0.83 -3.60 2.06 4.11 -1.26 -4.61 117.16 110.67 1x1m n TYR 40 Ca -0.11 0.83 -0.05 0.00 -0.00 0.00 0.00 57.90 58.57 1x1m n TYR 40 Cb 0.79 -1.25 -0.02 0.00 -0.00 0.00 0.00 39.34 38.86 1x1m n TYR 40 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.86 175.32 1x1m s SER 41 N -4.56 -0.25 0.07 9.48 1.04 -1.24 -5.10 113.70 113.14 1x1m s SER 41 Ca -0.07 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.24 1x1m s SER 41 Cb 0.26 0.36 0.00 0.00 0.10 0.00 0.00 66.02 66.73 1x1m s SER 41 CO 0.61 -0.61 0.00 0.18 0.98 0.00 0.00 173.24 174.40 1x1m n LEU 42 N -0.31 0.60 -3.30 2.42 4.77 -1.26 -4.09 117.00 115.82 1x1m n LEU 42 Ca -0.07 0.10 -0.29 0.00 -0.03 0.00 0.00 56.01 55.72 1x1m n LEU 42 Cb 0.61 -0.16 0.02 0.00 -2.33 0.00 0.00 43.42 41.56 1x1m n LEU 42 CO 0.11 -0.46 -0.23 0.61 -1.33 0.00 0.00 177.39 176.09 1x1m n GLY 43 N 3.16 -0.30 0.00 -0.72 0.00 -1.26 -4.65 105.19 101.41 1x1m n GLY 43 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 46.02 46.83 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 -0.64 0.14 3.76 -0.02 0.00 -1.26 -4.90 105.19 102.27 1x1m n GLY 44 Ca -0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.46 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 2.82 -0.16 1.61 2.02 -1.26 -4.90 117.35 117.47 1x1m s TYR 45 Ca 0.00 1.00 -0.18 0.00 -0.37 0.00 0.00 57.07 57.52 1x1m s TYR 45 Cb 0.00 -3.95 -0.04 0.00 -0.40 0.00 0.00 41.96 37.57 1x1m s TYR 45 CO 0.00 -3.03 0.49 -1.12 -1.57 0.00 0.00 175.55 170.32 1x1m s SER 46 N 0.22 6.61 0.21 2.29 0.01 -1.26 -2.80 113.70 118.98 1x1m s SER 46 Ca 0.58 0.73 -0.04 0.00 1.31 0.00 0.00 55.95 58.53 1x1m s SER 46 Cb -0.45 -2.28 0.39 0.00 0.21 0.00 0.00 66.02 63.88 1x1m s SER 46 CO 0.51 -0.09 1.15 -0.38 0.41 0.00 0.00 173.24 174.84 1x1m n ILE 47 N 4.13 -0.31 -0.41 1.44 2.08 -1.00 0.14 119.36 125.43 1x1m n ILE 47 Ca -0.06 1.67 -0.08 0.00 0.56 0.00 0.00 62.75 64.84 1x1m n ILE 47 Cb 0.51 -2.34 -0.05 0.00 -0.75 0.00 0.00 39.64 37.00 1x1m n ILE 47 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 1x1m n SER 48 N -5.16 -0.92 -0.25 4.38 2.88 -1.26 -0.48 113.62 112.81 1x1m n SER 48 Ca 0.13 1.76 -0.06 0.00 -1.33 0.00 0.00 58.87 59.37 1x1m n SER 48 Cb 0.41 -0.28 -0.01 0.00 -0.75 0.00 0.00 64.21 63.58 1x1m n SER 48 CO 0.00 0.00 0.00 0.15 -1.23 0.00 0.00 175.04 173.96 1x1m h PHE 49 N 0.00 -1.13 -0.43 0.66 3.57 -0.70 0.08 116.94 118.99 1x1m h PHE 49 Ca 0.22 0.09 0.09 0.00 3.53 0.00 0.00 57.97 61.89 1x1m h PHE 49 Cb 0.47 0.59 -0.09 0.00 2.79 0.00 0.00 35.95 39.71 1x1m h PHE 49 CO -0.97 -0.40 -0.19 -0.07 -2.23 0.00 0.00 178.31 174.44 1x1m h LEU 50 N -0.14 -0.67 -1.08 0.59 3.38 -0.81 0.59 115.31 117.16 1x1m h LEU 50 Ca 0.23 0.16 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1x1m h LEU 50 Cb 0.56 0.37 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1x1m h LEU 50 CO -0.76 -0.23 0.26 0.11 0.09 0.00 0.00 178.44 177.92 1x1m h LYS 51 N -0.11 0.00 0.03 1.13 1.57 -0.25 -0.44 116.57 118.50 1x1m h LYS 51 Ca 0.21 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.71 1x1m h LYS 51 Cb 0.43 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 1x1m h LYS 51 CO -0.50 0.00 -1.53 1.04 -0.57 0.00 0.00 179.45 177.89 1x1m n GLN 52 N -2.18 0.61 0.31 3.15 1.13 0.20 -3.20 117.38 117.40 1x1m n GLN 52 Ca -0.01 0.48 -0.18 0.00 -1.94 0.00 0.00 57.00 55.35 1x1m n GLN 52 Cb 0.29 -1.72 -0.09 0.00 0.11 0.00 0.00 30.24 28.83 1x1m n GLN 52 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 1x1m h LEU 53 N -0.74 -1.10 -0.79 1.08 4.07 -0.37 -0.46 115.31 117.01 1x1m h LEU 53 Ca -0.39 0.08 0.02 0.00 0.08 0.00 0.00 57.88 57.66 1x1m h LEU 53 Cb 1.50 0.34 -0.04 0.00 1.08 0.00 0.00 40.66 43.54 1x1m h LEU 53 CO -0.15 -0.61 0.51 0.40 -1.08 0.00 0.00 178.44 177.51 1x1m h ILE 54 N -0.94 1.17 0.00 1.22 5.03 -1.62 -0.88 117.51 121.49 1x1m h ILE 54 Ca -0.06 -0.35 -0.01 0.00 -0.12 0.00 0.00 64.86 64.32 1x1m h ILE 54 Cb 0.79 0.05 -0.00 0.00 -3.03 0.00 0.00 36.82 34.63 1x1m h ILE 54 CO 0.01 0.19 -0.03 0.00 -0.68 0.00 0.00 178.15 177.64 1x1m h ALA 55 N 1.31 1.30 0.00 1.87 0.00 -1.46 0.66 119.26 122.94 1x1m h ALA 55 Ca 0.30 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1x1m h ALA 55 Cb -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1x1m h ALA 55 CO -0.08 0.04 -0.80 0.78 0.00 0.00 0.00 179.25 179.18 1x1m h GLY 56 N 0.29 0.00 0.56 0.00 0.00 0.32 -3.24 103.07 101.00 1x1m h GLY 56 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 1x1m h GLY 56 CO 0.00 0.00 -2.02 0.28 0.00 0.00 0.00 176.54 174.80 1x1m n LYS 57 N -2.61 0.69 -0.69 4.80 4.76 -0.46 -4.11 118.16 120.54 1x1m n LYS 57 Ca 0.01 0.21 -0.00 0.00 -2.87 0.00 0.00 58.31 55.66 1x1m n LYS 57 Cb 0.52 -1.68 0.25 0.00 -1.84 0.00 0.00 35.03 32.28 1x1m n LYS 57 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1x1m n LEU 58 N -3.17 4.67 0.31 -0.35 4.77 0.10 -4.49 117.00 118.85 1x1m n LEU 58 Ca -0.29 -2.40 0.09 0.00 -0.03 0.00 0.00 56.01 53.39 1x1m n LEU 58 Cb 1.06 -0.66 0.48 0.00 -2.33 0.00 0.00 43.42 41.97 1x1m n LEU 58 CO 0.41 0.60 1.04 1.56 -1.33 0.00 0.00 177.39 179.68 1x1m h GLN 59 N 2.33 0.00 -0.61 3.23 4.20 -1.71 0.36 115.11 122.92 1x1m h GLN 59 Ca 0.11 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.84 1x1m h GLN 59 Cb 1.74 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.48 1x1m h GLN 59 CO 0.45 0.00 0.40 1.05 -0.67 0.00 0.00 178.83 180.07 1x1m h GLU 60 N 0.00 0.73 0.00 1.46 4.11 -1.91 -3.34 114.58 115.63 1x1m h GLU 60 Ca 0.00 -0.04 -0.00 0.00 0.07 0.00 0.00 59.36 59.38 1x1m h GLU 60 Cb 1.13 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.21 1x1m h GLU 60 CO 0.00 0.49 -1.00 0.43 0.07 0.00 0.00 179.01 178.99 1x1m n SER 61 N -4.46 3.84 -4.65 3.06 7.64 0.95 -5.00 113.62 115.02 1x1m n SER 61 Ca 0.07 -0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.52 1x1m n SER 61 Cb 0.10 -0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.28 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 -2.00 4.29 -0.02 0.44 1.01 0.66 -4.93 120.40 119.85 1x1m s VAL 62 Ca -0.00 1.52 -0.26 0.00 0.00 0.00 0.00 61.98 63.24 1x1m s VAL 62 Cb 0.00 -4.14 -0.20 0.00 0.00 0.00 0.00 36.38 32.04 1x1m s VAL 62 CO 0.00 -0.31 1.26 1.55 0.00 0.00 0.00 175.10 177.59 1x1m h PRO 63 N 8.54 -0.01 -3.42 2.72 0.13 -1.87 -3.36 132.00 134.72 1x1m h PRO 63 Ca -0.25 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.79 1x1m h PRO 63 Cb 1.09 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.06 1x1m h PRO 63 CO 1.00 0.47 -0.27 -0.51 -0.23 0.00 0.00 178.00 178.46 1x1m s ASP 64 N -5.67 -0.08 0.54 1.44 1.01 -1.26 -5.04 116.67 107.61 1x1m s ASP 64 Ca -0.16 -0.30 0.34 0.00 0.71 0.00 0.00 52.55 53.14 1x1m s ASP 64 Cb 0.02 0.36 1.39 0.00 1.01 0.00 0.00 42.92 45.70 1x1m s ASP 64 CO 0.67 -0.65 1.99 1.55 0.21 0.00 0.00 175.17 178.94 1x1m h PRO 65 N 3.09 0.00 0.00 8.23 0.13 -1.86 -2.79 132.00 138.80 1x1m h PRO 65 Ca -0.32 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.63 1x1m h PRO 65 Cb 1.20 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 1x1m h PRO 65 CO 0.48 0.00 -1.29 0.93 -0.23 0.00 0.00 178.00 177.89 1x1m h GLU 66 N 0.00 0.00 -0.75 0.86 5.08 -1.96 -3.31 114.58 114.50 1x1m h GLU 66 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1x1m h GLU 66 Cb 0.48 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1x1m h GLU 66 CO 0.00 0.38 0.00 1.28 -1.00 0.00 0.00 179.01 179.67 1x1m n LEU 67 N -2.98 3.03 -4.13 1.33 4.77 -1.06 -4.87 117.00 113.08 1x1m n LEU 67 Ca -0.08 -1.53 -0.10 0.00 -0.03 0.00 0.00 56.01 54.26 1x1m n LEU 67 Cb 0.85 -0.54 -0.10 0.00 -2.33 0.00 0.00 43.42 41.31 1x1m n LEU 67 CO 0.43 0.43 -0.24 0.27 -1.33 0.00 0.00 177.39 176.95 1x1m s ILE 68 N -1.78 0.07 0.08 -0.08 -5.25 -1.22 -2.85 121.20 110.17 1x1m s ILE 68 Ca 0.25 -1.86 0.02 0.00 -0.99 0.00 0.00 60.65 58.07 1x1m s ILE 68 Cb 0.18 -2.13 -0.04 0.00 2.95 0.00 0.00 42.46 43.43 1x1m s ILE 68 CO 0.08 -0.33 -0.07 -1.81 -1.79 0.00 0.00 174.94 171.02 1x1m s ASP 69 N -3.06 1.05 -0.15 4.36 1.01 -0.75 -4.89 116.67 114.24 1x1m s ASP 69 Ca 0.27 -0.84 -0.05 0.00 0.71 0.00 0.00 52.55 52.64 1x1m s ASP 69 Cb 0.07 0.07 -0.03 0.00 1.01 0.00 0.00 42.92 44.03 1x1m s ASP 69 CO 0.04 -0.37 0.01 -0.22 0.21 0.00 0.00 175.17 174.85 1x1m s LEU 70 N -2.51 3.57 -0.11 1.23 2.96 -1.26 -2.01 118.68 120.56 1x1m s LEU 70 Ca 0.04 0.03 0.04 0.00 -0.22 0.00 0.00 54.13 54.02 1x1m s LEU 70 Cb -0.00 -1.87 0.00 0.00 0.50 0.00 0.00 46.19 44.82 1x1m s LEU 70 CO -0.03 0.23 -0.24 -0.63 -1.32 0.00 0.00 176.35 174.37 1x1m s ILE 71 N 0.02 2.07 -0.03 6.68 -1.09 0.36 -1.54 121.20 127.65 1x1m s ILE 71 Ca 0.03 -1.01 -0.02 0.00 -2.23 0.00 0.00 60.65 57.42 1x1m s ILE 71 Cb -0.13 -1.79 0.02 0.00 -1.58 0.00 0.00 42.46 38.98 1x1m s ILE 71 CO 0.02 0.56 0.07 -0.47 -1.23 0.00 0.00 174.94 173.89 1x1m s TYR 72 N 0.41 -0.06 -1.42 3.97 6.14 0.28 -1.13 117.35 125.54 1x1m s TYR 72 Ca -0.17 0.22 -0.00 0.00 0.64 0.00 0.00 57.07 57.76 1x1m s TYR 72 Cb -0.18 -0.07 0.00 0.00 0.42 0.00 0.00 41.96 42.13 1x1m s TYR 72 CO 0.07 -0.08 0.01 0.00 0.64 0.00 0.00 175.55 176.20 1x1m n GLY 74 N -1.02 0.96 2.99 0.00 0.00 -1.26 -5.00 105.19 101.86 1x1m n GLY 74 Ca -0.20 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.49 0.14 0.51 1.61 1.70 -0.68 -5.15 118.95 114.59 1x1m s ARG 75 Ca 0.00 0.13 -0.21 0.00 -0.47 0.00 0.00 55.73 55.18 1x1m s ARG 75 Cb 0.00 0.07 -0.07 0.00 -0.57 0.00 0.00 34.95 34.38 1x1m s ARG 75 CO 0.00 -0.02 1.14 0.21 -1.08 0.00 0.00 175.30 175.55 1x1m s LYS 76 N -0.00 3.53 -0.11 3.89 2.20 -1.26 -0.56 119.74 127.43 1x1m s LYS 76 Ca -0.01 1.67 -0.02 0.00 -0.36 0.00 0.00 55.97 57.25 1x1m s LYS 76 Cb -0.01 -2.17 -0.03 0.00 -1.51 0.00 0.00 37.83 34.11 1x1m s LYS 76 CO 0.00 -0.71 -0.01 -0.51 -0.36 0.00 0.00 175.35 173.75 1x1m s LEU 77 N -3.48 3.46 0.39 5.43 1.43 -0.59 -4.87 118.68 120.46 1x1m s LEU 77 Ca 0.69 0.05 -0.00 0.00 -1.03 0.00 0.00 54.13 53.83 1x1m s LEU 77 Cb -0.26 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 1x1m s LEU 77 CO 0.30 0.31 0.62 -0.54 0.23 0.00 0.00 176.35 177.26 1x1m s LYS 78 N -0.45 3.39 0.00 1.70 -0.14 -1.26 -4.67 119.74 118.32 1x1m s LYS 78 Ca 0.08 -0.28 0.24 0.00 -1.36 0.00 0.00 55.97 54.65 1x1m s LYS 78 Cb -0.12 -2.59 1.14 0.00 -1.68 0.00 0.00 37.83 34.58 1x1m s LYS 78 CO 0.02 -0.01 1.79 -0.40 -0.76 0.00 0.00 175.35 175.99 1x1m n ASP 79 N -1.94 0.00 -0.42 2.83 5.75 -1.26 -2.54 116.55 118.97 1x1m n ASP 79 Ca -0.02 0.19 0.14 0.00 -0.01 0.00 0.00 54.79 55.08 1x1m n ASP 79 Cb 0.56 -0.38 0.48 0.00 -1.03 0.00 0.00 41.12 40.75 1x1m n ASP 79 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1x1m n ASP 80 N -1.38 1.38 -4.91 -1.12 8.00 -1.26 -4.44 116.55 112.82 1x1m n ASP 80 Ca 0.09 -1.33 -0.25 0.00 0.71 0.00 0.00 54.79 54.02 1x1m n ASP 80 Cb 0.23 0.04 -0.00 0.00 -0.02 0.00 0.00 41.12 41.36 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 -2.14 2.30 0.30 -1.24 -1.52 -1.05 -5.03 119.66 111.27 1x1m s GLN 81 Ca 0.34 -1.89 0.04 0.00 -1.95 0.00 0.00 55.36 51.90 1x1m s GLN 81 Cb 0.20 -2.20 -0.03 0.00 -0.22 0.00 0.00 33.01 30.76 1x1m s GLN 81 CO 0.39 -0.56 0.20 0.95 -0.25 0.00 0.00 175.29 176.02 1x1m s THR 82 N -2.70 0.13 0.25 -0.19 -4.23 -1.26 -2.39 115.64 105.25 1x1m s THR 82 Ca 0.40 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.85 1x1m s THR 82 Cb -0.03 -2.50 0.20 0.00 1.34 0.00 0.00 72.50 71.52 1x1m s THR 82 CO 0.24 0.00 1.85 -0.07 -0.54 0.00 0.00 174.62 176.10 1x1m h LEU 83 N 2.26 1.04 -0.04 4.79 -0.00 -1.87 -2.79 115.31 118.70 1x1m h LEU 83 Ca -0.31 -0.11 -0.26 0.00 -0.00 0.00 0.00 57.88 57.20 1x1m h LEU 83 Cb 1.24 -0.27 0.02 0.00 -0.00 0.00 0.00 40.66 41.65 1x1m h LEU 83 CO 0.46 0.87 -1.00 -0.78 -0.00 0.00 0.00 178.44 177.99 1x1m h ASP 84 N 1.15 0.87 -0.89 -0.43 3.58 -1.87 0.16 116.42 118.98 1x1m h ASP 84 Ca 0.28 -0.68 0.21 0.00 0.42 0.00 0.00 57.03 57.26 1x1m h ASP 84 Cb 0.09 -0.26 -0.12 0.00 1.72 0.00 0.00 39.33 40.76 1x1m h ASP 84 CO -0.04 1.48 0.40 0.15 -2.88 0.00 0.00 179.24 178.35 1x1m h PHE 85 N 0.39 0.66 0.02 0.28 3.04 -1.89 -1.93 116.94 117.51 1x1m h PHE 85 Ca -0.12 0.04 -0.33 0.00 3.98 0.00 0.00 57.97 61.54 1x1m h PHE 85 Cb 1.65 -0.15 -0.05 0.00 2.56 0.00 0.00 35.95 39.96 1x1m h PHE 85 CO 0.10 -0.02 -2.01 0.66 -2.02 0.00 0.00 178.31 175.02 1x1m n TYR 86 N -5.02 0.68 -0.13 0.41 4.01 -1.13 -4.97 117.16 111.02 1x1m n TYR 86 Ca 0.21 0.21 0.00 0.00 -0.16 0.00 0.00 57.90 58.17 1x1m n TYR 86 Cb 0.62 -1.12 0.00 0.00 -0.31 0.00 0.00 39.34 38.53 1x1m n TYR 86 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1x1m n GLY 87 N 1.75 1.22 3.73 2.72 0.00 0.35 -5.05 105.19 109.91 1x1m n GLY 87 Ca -0.27 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 1x1m n GLY 87 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1x1m n ILE 88 N -1.84 0.49 -3.95 -0.61 5.41 -0.06 -4.98 119.36 113.81 1x1m n ILE 88 Ca 0.00 -0.12 -0.29 0.00 1.00 0.00 0.00 62.75 63.34 1x1m n ILE 88 Cb 0.01 -1.94 -0.04 0.00 -0.71 0.00 0.00 39.64 36.97 1x1m n ILE 88 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1x1m s GLN 89 N 0.35 3.37 0.00 0.38 -1.52 -1.26 -4.81 119.66 116.16 1x1m s GLN 89 Ca 0.70 -0.54 0.12 0.00 -1.95 0.00 0.00 55.36 53.69 1x1m s GLN 89 Cb -0.51 -2.97 0.73 0.00 -0.22 0.00 0.00 33.01 30.04 1x1m s GLN 89 CO 0.40 0.57 1.16 -0.35 -0.25 0.00 0.00 175.29 176.82 1x1m n PRO 90 N -0.06 0.49 -0.06 2.91 -0.04 -1.26 -2.03 135.00 134.95 1x1m n PRO 90 Ca -0.06 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.43 1x1m n PRO 90 Cb 0.52 -1.39 0.06 0.00 -0.04 0.00 0.00 33.50 32.66 1x1m n PRO 90 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1x1m n GLY 91 N -0.02 1.18 1.90 0.55 0.00 -1.26 -3.98 105.19 103.56 1x1m n GLY 91 Ca 0.09 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 1x1m n GLY 91 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1x1m n SER 92 N 0.25 0.64 -3.95 1.61 2.88 -0.86 -4.92 113.62 109.28 1x1m n SER 92 Ca 0.06 -1.55 -0.18 0.00 -1.33 0.00 0.00 58.87 55.87 1x1m n SER 92 Cb 0.27 -0.32 -0.15 0.00 -0.75 0.00 0.00 64.21 63.26 1x1m n SER 92 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1x1m s THR 93 N -1.41 0.52 0.07 2.46 2.01 -1.26 -2.61 115.64 115.41 1x1m s THR 93 Ca 0.32 -0.22 0.05 0.00 0.31 0.00 0.00 61.69 62.15 1x1m s THR 93 Cb -0.02 -0.48 -0.04 0.00 0.01 0.00 0.00 72.50 71.97 1x1m s THR 93 CO 0.22 0.18 -0.05 0.68 -0.69 0.00 0.00 174.62 174.95 1x1m s VAL 94 N 0.24 3.71 0.08 3.82 -7.23 -1.04 -4.79 120.40 115.19 1x1m s VAL 94 Ca -0.03 -1.00 0.05 0.00 -1.81 0.00 0.00 61.98 59.19 1x1m s VAL 94 Cb -0.07 -2.71 -0.04 0.00 0.56 0.00 0.00 36.38 34.12 1x1m s VAL 94 CO -0.00 0.20 -0.03 -1.00 -0.31 0.00 0.00 175.10 173.97 1x1m s HIS 95 N -1.18 2.94 -0.18 2.82 3.76 -0.28 -0.51 115.29 122.65 1x1m s HIS 95 Ca 0.22 -0.05 -0.02 0.00 -0.15 0.00 0.00 55.06 55.06 1x1m s HIS 95 Cb -0.11 -1.53 -0.01 0.00 1.11 0.00 0.00 32.58 32.04 1x1m s HIS 95 CO 0.13 0.46 -0.10 0.08 -0.85 0.00 0.00 174.74 174.46 1x1m s VAL 96 N -1.25 3.09 -0.17 -0.90 1.01 -0.45 -0.49 120.40 121.24 1x1m s VAL 96 Ca 0.24 -0.62 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 1x1m s VAL 96 Cb -0.11 -2.35 -0.00 0.00 0.00 0.00 0.00 36.38 33.92 1x1m s VAL 96 CO 0.16 0.48 -0.13 -0.22 0.00 0.00 0.00 175.10 175.39 1x1m s LEU 97 N 0.95 2.54 0.07 3.92 1.98 -0.85 -1.81 118.68 125.48 1x1m s LEU 97 Ca -0.02 -0.46 -0.31 0.00 -2.89 0.00 0.00 54.13 50.45 1x1m s LEU 97 Cb -0.15 -1.59 -0.06 0.00 0.66 0.00 0.00 46.19 45.05 1x1m s LEU 97 CO -0.01 0.06 1.24 -0.13 -1.89 0.00 0.00 176.35 175.62 1x1m s ARG 98 N 0.98 4.41 -0.54 1.98 1.81 -1.26 -1.81 118.95 124.51 1x1m s ARG 98 Ca -0.02 1.83 -0.26 0.00 -1.72 0.00 0.00 55.73 55.56 1x1m s ARG 98 Cb -0.15 -3.32 -0.07 0.00 -0.45 0.00 0.00 34.95 30.96 1x1m s ARG 98 CO -0.02 -0.29 2.31 0.15 -0.68 0.00 0.00 175.30 176.76 1x1m s LYS 99 N 1.05 2.16 -0.93 3.54 1.02 -1.13 -4.87 119.74 120.57 1x1m s LYS 99 Ca 0.60 1.17 -0.24 0.00 0.02 0.00 0.00 55.97 57.52 1x1m s LYS 99 Cb -0.31 -4.57 0.00 0.00 -0.52 0.00 0.00 37.83 32.43 1x1m s LYS 99 CO 0.29 -3.28 1.69 -1.54 -0.92 0.00 0.00 175.35 171.60 1x1m s SER 100 N 11.33 5.80 0.05 2.83 1.04 -1.26 -4.91 113.70 128.58 1x1m s SER 100 Ca 0.91 -0.97 -0.10 0.00 0.48 0.00 0.00 55.95 56.27 1x1m s SER 100 Cb -0.16 -2.56 0.01 0.00 0.10 0.00 0.00 66.02 63.41 1x1m s SER 100 CO 0.23 -2.13 0.22 0.86 0.98 0.00 0.00 173.24 173.40 1x1m s TRP 101 N 7.56 0.03 0.00 5.02 -0.00 -1.26 -5.08 118.94 125.21 1x1m s TRP 101 Ca 0.58 -0.28 0.00 0.00 -0.00 0.00 0.00 56.10 56.40 1x1m s TRP 101 Cb -0.04 -0.00 0.00 0.00 -0.00 0.00 0.00 33.47 33.43 1x1m s TRP 101 CO -0.03 -0.47 0.48 0.43 -0.00 0.00 0.00 176.95 177.36 1x1m n SER 102 N 0.51 0.00 0.00 5.86 7.64 -1.26 -4.95 113.62 121.42 1x1m n SER 102 Ca -0.18 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.18 1x1m n SER 102 Cb 0.60 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 1x1m n SER 102 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x1m n GLY 103 N -0.91 -0.64 3.59 0.23 0.00 -1.26 -4.92 105.19 101.29 1x1m n GLY 103 Ca 0.00 -1.20 -0.42 0.00 0.00 0.00 0.00 46.02 44.40 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 -4.55 3.29 -0.16 1.61 0.04 -1.26 -4.99 135.00 128.99 1x1m s PRO 104 Ca 0.00 1.21 -0.01 0.00 0.04 0.00 0.00 61.00 62.24 1x1m s PRO 104 Cb 0.00 -4.19 -0.01 0.00 0.04 0.00 0.00 34.50 30.34 1x1m s PRO 104 CO 0.00 -1.92 -0.12 0.45 0.04 0.00 0.00 177.00 175.45 1x1m s SER 105 N 5.91 3.94 -0.56 6.66 0.15 -1.26 -5.08 113.70 123.47 1x1m s SER 105 Ca 0.74 -0.39 -0.25 0.00 0.70 0.00 0.00 55.95 56.75 1x1m s SER 105 Cb -0.19 -1.62 0.04 0.00 -1.71 0.00 0.00 66.02 62.54 1x1m s SER 105 CO 0.32 0.10 0.99 -0.55 1.20 0.00 0.00 173.24 175.30 1x1m s SER 106 N 0.76 6.36 0.00 5.45 0.15 -1.26 -5.32 113.70 119.84 1x1m s SER 106 Ca -0.05 -0.26 0.02 0.00 0.70 0.00 0.00 55.95 56.36 1x1m s SER 106 Cb -0.15 -2.46 0.02 0.00 -1.71 0.00 0.00 66.02 61.71 1x1m s SER 106 CO 0.01 -1.28 0.57 0.61 1.20 0.00 0.00 173.24 174.35