#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dia s SER 2 N 0.00 6.99 0.72 1.61 0.01 -1.26 -5.03 113.70 116.75 2dia s SER 2 Ca 0.00 2.24 -0.07 0.00 1.31 0.00 0.00 55.95 59.43 2dia s SER 2 Cb 0.00 -2.60 0.07 0.00 0.21 0.00 0.00 66.02 63.70 2dia s SER 2 CO 0.00 -0.48 1.04 -0.44 0.41 0.00 0.00 173.24 173.77 2dia s SER 3 N 0.55 4.70 0.00 2.44 0.01 -1.26 -4.96 113.70 115.18 2dia s SER 3 Ca 0.57 0.43 0.00 0.00 1.31 0.00 0.00 55.95 58.26 2dia s SER 3 Cb -0.34 -1.03 0.00 0.00 0.21 0.00 0.00 66.02 64.86 2dia s SER 3 CO 0.34 -1.68 0.00 0.61 0.41 0.00 0.00 173.24 172.92 2dia n GLY 4 N -2.98 0.38 3.39 3.44 0.00 -1.26 -5.17 105.19 103.00 2dia n GLY 4 Ca 0.09 -0.72 -0.13 0.00 0.00 0.00 0.00 46.02 45.26 2dia n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dia s SER 5 N 0.00 -0.44 -0.24 1.61 1.04 -1.26 -5.18 113.70 109.23 2dia s SER 5 Ca 0.00 0.05 -0.27 0.00 0.48 0.00 0.00 55.95 56.21 2dia s SER 5 Cb 0.00 0.52 0.12 0.00 0.10 0.00 0.00 66.02 66.76 2dia s SER 5 CO 0.00 -0.81 1.01 -0.55 0.98 0.00 0.00 173.24 173.87 2dia s SER 6 N -2.32 -0.43 1.10 7.02 0.15 -1.26 -5.18 113.70 112.78 2dia s SER 6 Ca -0.02 0.72 -0.13 0.00 0.70 0.00 0.00 55.95 57.22 2dia s SER 6 Cb -0.00 0.69 0.19 0.00 -1.71 0.00 0.00 66.02 65.18 2dia s SER 6 CO -0.06 -0.22 0.83 0.61 1.20 0.00 0.00 173.24 175.59 2dia n GLY 7 N 1.71 -2.10 3.77 9.45 0.00 -1.26 -5.02 105.19 111.74 2dia n GLY 7 Ca -0.12 -1.58 -0.34 0.00 0.00 0.00 0.00 46.02 43.98 2dia n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dia s PRO 8 N -4.84 3.15 0.33 1.61 0.04 -1.26 -4.62 135.00 129.41 2dia s PRO 8 Ca 0.50 1.53 -0.29 0.00 0.04 0.00 0.00 61.00 62.78 2dia s PRO 8 Cb -0.03 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 32.42 2dia s PRO 8 CO 0.37 -1.00 1.36 0.12 0.04 0.00 0.00 177.00 177.90 2dia s PHE 9 N -1.99 2.94 -0.30 0.56 2.19 -1.26 -4.16 117.98 115.96 2dia s PHE 9 Ca 0.71 1.31 -0.07 0.00 0.33 0.00 0.00 56.93 59.20 2dia s PHE 9 Cb -0.23 -3.78 0.16 0.00 -1.31 0.00 0.00 43.02 37.87 2dia s PHE 9 CO 0.32 -2.21 0.70 -0.51 1.83 0.00 0.00 175.22 175.35 2dia s ASP 10 N -0.31 -1.12 0.55 6.13 1.01 -0.53 -4.92 116.67 117.47 2dia s ASP 10 Ca 0.51 1.11 0.33 0.00 0.71 0.00 0.00 52.55 55.21 2dia s ASP 10 Cb -0.42 2.10 1.38 0.00 1.01 0.00 0.00 42.92 47.00 2dia s ASP 10 CO 0.54 -0.21 1.99 1.55 0.21 0.00 0.00 175.17 179.25 2dia h PRO 11 N 7.94 0.00 -0.24 8.23 0.13 -1.84 -2.93 132.00 143.29 2dia h PRO 11 Ca -0.19 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.85 2dia h PRO 11 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 2dia h PRO 11 CO 0.14 0.02 -0.23 0.77 -0.23 0.00 0.00 178.00 178.47 2dia h SER 12 N 0.00 0.44 0.36 1.44 0.02 -1.96 -2.33 113.55 111.52 2dia h SER 12 Ca -0.00 -0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 60.80 2dia h SER 12 Cb 0.51 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 62.93 2dia h SER 12 CO 0.00 0.68 -0.05 0.11 -1.14 0.00 0.00 176.83 176.43 2dia h LYS 13 N 0.39 0.00 -6.44 3.45 1.79 -1.85 -3.43 116.57 110.49 2dia h LYS 13 Ca 0.06 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.99 2dia h LYS 13 Cb 0.63 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.28 2dia h LYS 13 CO 0.04 0.05 0.67 0.08 -1.08 0.00 0.00 179.45 179.21 2dia s VAL 14 N -4.10 3.89 -0.25 0.50 1.01 -0.88 -4.47 120.40 116.09 2dia s VAL 14 Ca -0.03 1.32 0.03 0.00 0.00 0.00 0.00 61.98 63.30 2dia s VAL 14 Cb 0.12 -3.85 0.06 0.00 0.00 0.00 0.00 36.38 32.72 2dia s VAL 14 CO 0.52 0.06 -0.10 -0.69 0.00 0.00 0.00 175.10 174.89 2dia s VAL 15 N 1.58 2.04 -0.14 2.92 1.01 -1.12 -4.73 120.40 121.96 2dia s VAL 15 Ca 0.60 -1.55 -0.07 0.00 0.00 0.00 0.00 61.98 60.96 2dia s VAL 15 Cb -0.30 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 2dia s VAL 15 CO 0.27 -0.04 0.11 0.00 0.00 0.00 0.00 175.10 175.44 2dia s ALA 16 N 1.16 3.69 0.34 5.51 0.00 -1.26 -2.18 121.76 129.02 2dia s ALA 16 Ca -0.08 -0.69 -0.00 0.00 0.00 0.00 0.00 51.96 51.19 2dia s ALA 16 Cb -0.20 -1.94 -0.00 0.00 0.00 0.00 0.00 23.12 20.98 2dia s ALA 16 CO -0.05 0.45 0.43 0.45 0.00 0.00 0.00 175.76 177.03 2dia s SER 17 N -0.49 1.10 0.00 0.00 0.15 -0.63 -4.98 113.70 108.85 2dia s SER 17 Ca 0.11 -1.56 0.00 0.00 0.70 0.00 0.00 55.95 55.21 2dia s SER 17 Cb -0.12 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.83 2dia s SER 17 CO 0.02 -1.25 0.00 0.61 1.20 0.00 0.00 173.24 173.82 2dia n GLY 18 N -0.58 3.19 0.20 9.45 0.00 -1.26 -0.78 105.19 115.40 2dia n GLY 18 Ca 0.02 -1.87 0.06 0.00 0.00 0.00 0.00 46.02 44.24 2dia n GLY 18 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dia h PRO 19 N 0.00 0.00 0.00 1.61 0.13 -1.90 -2.98 132.00 128.86 2dia h PRO 19 Ca 0.00 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 2dia h PRO 19 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 2dia h PRO 19 CO 0.00 0.32 -0.16 0.78 -0.23 0.00 0.00 178.00 178.71 2dia h GLY 20 N 1.64 0.00 -0.01 1.56 0.00 -1.64 -0.57 103.07 104.05 2dia h GLY 20 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2dia h GLY 20 CO 0.04 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.62 2dia n LEU 21 N -4.19 0.75 -0.03 3.11 4.77 -1.12 -3.73 117.00 116.56 2dia n LEU 21 Ca -0.02 -0.31 -0.03 0.00 -0.03 0.00 0.00 56.01 55.62 2dia n LEU 21 Cb 0.24 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.25 2dia n LEU 21 CO 0.35 0.15 -0.68 -0.62 -1.33 0.00 0.00 177.39 175.26 2dia n GLU 22 N -0.30 1.44 -3.62 3.23 1.02 -0.38 -4.90 120.64 117.13 2dia n GLU 22 Ca 0.16 0.02 -0.05 0.00 -0.02 0.00 0.00 57.16 57.26 2dia n GLU 22 Cb 0.19 -1.12 -0.02 0.00 -0.02 0.00 0.00 31.44 30.47 2dia n GLU 22 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 2dia s HIS 23 N -2.12 -0.22 0.25 -0.32 -3.43 -0.36 -4.67 115.29 104.41 2dia s HIS 23 Ca -0.06 0.03 -0.12 0.00 -0.80 0.00 0.00 55.06 54.11 2dia s HIS 23 Cb 0.02 0.58 -0.01 0.00 -1.43 0.00 0.00 32.58 31.74 2dia s HIS 23 CO 0.16 -0.62 0.47 0.20 -2.00 0.00 0.00 174.74 172.95 2dia s GLY 24 N -2.69 0.58 -0.03 -1.38 0.00 -1.25 -4.09 107.32 98.47 2dia s GLY 24 Ca 0.09 -0.92 -0.01 0.00 0.00 0.00 0.00 44.72 43.88 2dia s GLY 24 CO -0.04 -0.66 0.06 1.25 0.00 0.00 0.00 173.10 173.72 2dia s LYS 25 N -4.00 0.04 -0.30 2.90 2.20 -1.26 -1.13 119.74 118.18 2dia s LYS 25 Ca 0.23 0.14 -0.35 0.00 -0.36 0.00 0.00 55.97 55.64 2dia s LYS 25 Cb -0.00 -0.07 -0.11 0.00 -1.51 0.00 0.00 37.83 36.14 2dia s LYS 25 CO 0.09 -0.07 2.14 0.28 -0.36 0.00 0.00 175.35 177.43 2dia n VAL 26 N 3.50 0.25 0.00 4.02 0.31 -0.48 0.03 118.33 125.96 2dia n VAL 26 Ca -0.18 -0.26 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 2dia n VAL 26 Cb 0.56 -1.76 0.00 0.00 -0.91 0.00 0.00 33.84 31.73 2dia n VAL 26 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2dia n GLY 27 N 6.12 2.63 2.80 2.92 0.00 0.34 -4.22 105.19 115.78 2dia n GLY 27 Ca 0.37 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.16 2dia n GLY 27 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2dia n GLU 28 N -0.43 -2.04 -4.10 1.61 -0.58 0.10 -4.87 120.64 110.34 2dia n GLU 28 Ca 0.00 -1.44 -0.29 0.00 -0.42 0.00 0.00 57.16 55.02 2dia n GLU 28 Cb 0.00 -1.18 -0.17 0.00 -0.57 0.00 0.00 31.44 29.52 2dia n GLU 28 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2dia s ALA 29 N -3.38 1.64 -0.69 0.62 0.00 -1.26 -4.07 121.76 114.63 2dia s ALA 29 Ca 0.56 -0.74 -0.27 0.00 0.00 0.00 0.00 51.96 51.50 2dia s ALA 29 Cb -0.04 -0.95 0.03 0.00 0.00 0.00 0.00 23.12 22.16 2dia s ALA 29 CO 0.42 -0.31 1.28 0.20 0.00 0.00 0.00 175.76 177.35 2dia s GLY 30 N 1.42 0.92 -0.00 0.00 0.00 -0.31 -4.83 107.32 104.50 2dia s GLY 30 Ca 0.02 -1.20 -0.30 0.00 0.00 0.00 0.00 44.72 43.24 2dia s GLY 30 CO -0.08 2.65 1.79 1.08 0.00 0.00 0.00 173.10 178.54 2dia s LEU 31 N 5.68 4.37 -0.03 0.66 1.43 -1.26 -3.24 118.68 126.29 2dia s LEU 31 Ca 0.38 2.45 0.03 0.00 -1.03 0.00 0.00 54.13 55.96 2dia s LEU 31 Cb -0.08 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.61 2dia s LEU 31 CO 0.18 -0.98 -0.10 -0.76 0.23 0.00 0.00 176.35 174.92 2dia s LEU 32 N 4.09 1.79 -0.03 1.79 1.43 0.67 -2.53 118.68 125.89 2dia s LEU 32 Ca 0.80 -0.21 0.07 0.00 -1.03 0.00 0.00 54.13 53.76 2dia s LEU 32 Cb -0.38 -0.60 -0.02 0.00 0.03 0.00 0.00 46.19 45.22 2dia s LEU 32 CO 0.35 0.07 -0.24 -0.94 0.23 0.00 0.00 176.35 175.83 2dia s SER 33 N 0.19 2.80 -0.19 2.29 1.04 0.04 -0.77 113.70 119.10 2dia s SER 33 Ca -0.03 -0.44 0.01 0.00 0.48 0.00 0.00 55.95 55.97 2dia s SER 33 Cb -0.09 -0.43 0.03 0.00 0.10 0.00 0.00 66.02 65.63 2dia s SER 33 CO 0.01 0.27 -0.15 -0.69 0.98 0.00 0.00 173.24 173.66 2dia s VAL 34 N -0.44 1.90 -0.36 5.02 1.01 -1.04 -1.60 120.40 124.90 2dia s VAL 34 Ca 0.06 -1.02 -0.10 0.00 0.00 0.00 0.00 61.98 60.91 2dia s VAL 34 Cb -0.10 -1.83 0.02 0.00 0.00 0.00 0.00 36.38 34.46 2dia s VAL 34 CO 0.00 0.35 0.19 -0.62 0.00 0.00 0.00 175.10 175.01 2dia s ASP 35 N 1.31 5.65 -0.34 3.32 -1.08 -0.93 -1.81 116.67 122.80 2dia s ASP 35 Ca 0.01 -0.88 -0.11 0.00 -0.52 0.00 0.00 52.55 51.05 2dia s ASP 35 Cb -0.15 -2.01 0.00 0.00 -1.46 0.00 0.00 42.92 39.31 2dia s ASP 35 CO -0.10 -0.33 0.18 0.00 0.52 0.00 0.00 175.17 175.44 2dia n SER 37 N 5.00 0.81 -0.39 0.00 3.41 -1.26 -4.81 113.62 116.38 2dia n SER 37 Ca -0.13 0.13 0.08 0.00 -0.26 0.00 0.00 58.87 58.69 2dia n SER 37 Cb 0.48 -0.51 0.17 0.00 -0.26 0.00 0.00 64.21 64.10 2dia n SER 37 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2dia n GLU 38 N -3.30 1.38 0.00 4.33 -0.58 -1.26 -4.69 120.64 116.52 2dia n GLU 38 Ca -0.05 -2.91 0.09 0.00 -0.42 0.00 0.00 57.16 53.86 2dia n GLU 38 Cb 0.18 -1.50 0.41 0.00 -0.57 0.00 0.00 31.44 29.96 2dia n GLU 38 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2dia n ALA 39 N -1.19 1.88 -0.74 0.62 0.00 -1.26 -4.29 120.51 115.52 2dia n ALA 39 Ca 0.17 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2dia n ALA 39 Cb 0.68 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.84 2dia n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2dia n GLY 40 N 0.26 0.41 0.00 0.00 0.00 -1.26 -1.46 105.19 103.15 2dia n GLY 40 Ca 0.06 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.19 2dia n GLY 40 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dia n PRO 41 N 0.00 -0.53 0.00 1.61 -0.04 -1.26 -4.92 135.00 129.86 2dia n PRO 41 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2dia n PRO 41 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2dia n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dia n GLY 42 N 2.46 2.21 3.88 0.55 0.00 -1.26 -4.82 105.19 108.20 2dia n GLY 42 Ca 0.00 -1.64 -0.30 0.00 0.00 0.00 0.00 46.02 44.08 2dia n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dia s ALA 43 N -1.42 3.46 -0.14 4.61 0.00 -1.26 -4.68 121.76 122.33 2dia s ALA 43 Ca 0.00 -0.33 -0.05 0.00 0.00 0.00 0.00 51.96 51.59 2dia s ALA 43 Cb 0.00 -2.54 -0.04 0.00 0.00 0.00 0.00 23.12 20.54 2dia s ALA 43 CO 0.00 0.13 0.03 -1.17 0.00 0.00 0.00 175.76 174.75 2dia s LEU 44 N -3.64 3.67 -0.17 0.00 2.96 -1.26 -0.90 118.68 119.34 2dia s LEU 44 Ca 0.48 0.09 -0.09 0.00 -0.22 0.00 0.00 54.13 54.39 2dia s LEU 44 Cb -0.10 -1.89 0.06 0.00 0.50 0.00 0.00 46.19 44.75 2dia s LEU 44 CO 0.30 0.25 0.41 -0.83 -1.32 0.00 0.00 176.35 175.16 2dia s GLY 45 N -0.11 -0.33 0.08 7.98 0.00 -1.11 -5.04 107.32 108.79 2dia s GLY 45 Ca 0.05 1.52 0.09 0.00 0.00 0.00 0.00 44.72 46.38 2dia s GLY 45 CO 0.02 1.67 -0.22 -2.27 0.00 0.00 0.00 173.10 172.29 2dia s LEU 46 N 1.37 2.48 -0.17 0.66 2.96 -1.26 -1.31 118.68 123.41 2dia s LEU 46 Ca -0.09 -0.56 -0.00 0.00 -0.22 0.00 0.00 54.13 53.25 2dia s LEU 46 Cb -0.08 -1.41 0.04 0.00 0.50 0.00 0.00 46.19 45.23 2dia s LEU 46 CO -0.12 0.22 -0.06 -0.70 -1.32 0.00 0.00 176.35 174.37 2dia s GLU 47 N -1.69 1.52 -0.26 1.98 2.56 0.14 -4.96 118.70 117.99 2dia s GLU 47 Ca 0.15 -0.56 -0.07 0.00 0.00 0.00 0.00 54.97 54.49 2dia s GLU 47 Cb -0.10 -2.06 -0.02 0.00 2.00 0.00 0.00 34.13 33.95 2dia s GLU 47 CO 0.06 -0.43 0.06 0.00 -0.56 0.00 0.00 175.26 174.39 2dia s ALA 48 N 1.60 3.10 -0.02 6.30 0.00 -1.26 -0.38 121.76 131.10 2dia s ALA 48 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 51.96 50.76 2dia s ALA 48 Cb -0.15 -2.05 0.02 0.00 0.00 0.00 0.00 23.12 20.94 2dia s ALA 48 CO -0.08 -0.58 0.02 0.08 0.00 0.00 0.00 175.76 175.20 2dia s VAL 49 N 1.57 0.00 0.75 0.00 1.01 -1.20 0.06 120.40 122.60 2dia s VAL 49 Ca 0.06 0.15 -0.11 0.00 0.00 0.00 0.00 61.98 62.08 2dia s VAL 49 Cb -0.15 -0.11 0.05 0.00 0.00 0.00 0.00 36.38 36.17 2dia s VAL 49 CO 0.03 0.09 1.12 -0.55 0.00 0.00 0.00 175.10 175.78 2dia s SER 50 N 0.88 4.93 0.60 3.32 0.15 -1.15 -0.91 113.70 121.52 2dia s SER 50 Ca -0.08 0.88 0.35 0.00 0.70 0.00 0.00 55.95 57.80 2dia s SER 50 Cb -0.11 -1.52 1.90 0.00 -1.71 0.00 0.00 66.02 64.59 2dia s SER 50 CO -0.02 -1.63 2.07 0.44 1.20 0.00 0.00 173.24 175.29 2dia h ASP 51 N -0.83 0.00 1.19 5.45 3.32 -1.85 0.27 116.42 123.97 2dia h ASP 51 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2dia h ASP 51 Cb 1.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.85 2dia h ASP 51 CO 0.64 0.00 0.00 0.28 -1.72 0.00 0.00 179.24 178.44 2dia h SER 52 N 0.00 0.00 0.00 6.45 0.02 -1.91 -3.46 113.55 114.65 2dia h SER 52 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2dia h SER 52 Cb 0.26 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 2dia h SER 52 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 2dia n GLY 53 N 0.69 0.71 3.52 -3.77 0.00 0.95 -5.04 105.19 102.26 2dia n GLY 53 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 2dia n GLY 53 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dia s THR 54 N -2.58 4.92 0.24 2.61 2.01 -1.26 -4.86 115.64 116.71 2dia s THR 54 Ca 0.00 0.10 -0.30 0.00 0.31 0.00 0.00 61.69 61.80 2dia s THR 54 Cb 0.00 -4.12 -0.09 0.00 0.01 0.00 0.00 72.50 68.30 2dia s THR 54 CO 0.00 -0.47 1.29 -1.59 -0.69 0.00 0.00 174.62 173.16 2dia s LYS 55 N 2.59 4.41 0.98 4.92 0.00 -1.26 -2.92 119.74 128.46 2dia s LYS 55 Ca 0.20 2.07 -0.16 0.00 0.00 0.00 0.00 55.97 58.07 2dia s LYS 55 Cb -0.15 -3.16 0.21 0.00 0.00 0.00 0.00 37.83 34.72 2dia s LYS 55 CO 0.17 -0.19 1.32 0.00 0.00 0.00 0.00 175.35 176.64 2dia s ALA 56 N -0.30 2.14 -0.38 0.59 0.00 0.11 -4.97 121.76 118.95 2dia s ALA 56 Ca 0.54 -1.21 -0.20 0.00 0.00 0.00 0.00 51.96 51.09 2dia s ALA 56 Cb -0.37 -2.77 0.01 0.00 0.00 0.00 0.00 23.12 19.99 2dia s ALA 56 CO 0.42 -2.53 0.59 -2.00 0.00 0.00 0.00 175.76 172.24 2dia s GLU 57 N -5.88 3.50 -0.02 0.00 2.12 -1.19 -4.81 118.70 112.43 2dia s GLU 57 Ca 0.74 -0.19 0.05 0.00 0.36 0.00 0.00 54.97 55.93 2dia s GLU 57 Cb -0.04 -3.86 -0.03 0.00 0.26 0.00 0.00 34.13 30.46 2dia s GLU 57 CO 0.53 -0.80 -0.16 0.08 -0.54 0.00 0.00 175.26 174.38 2dia s VAL 58 N 2.62 2.96 -0.21 3.70 1.01 -1.26 -1.96 120.40 127.25 2dia s VAL 58 Ca 0.21 -0.89 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 2dia s VAL 58 Cb -0.15 -2.19 0.09 0.00 0.00 0.00 0.00 36.38 34.13 2dia s VAL 58 CO 0.16 0.50 0.19 -0.55 0.00 0.00 0.00 175.10 175.39 2dia s SER 59 N -1.00 1.85 -0.07 3.32 0.15 -1.13 -5.03 113.70 111.80 2dia s SER 59 Ca 0.13 -0.48 -0.20 0.00 0.70 0.00 0.00 55.95 56.09 2dia s SER 59 Cb -0.11 0.18 -0.04 0.00 -1.71 0.00 0.00 66.02 64.34 2dia s SER 59 CO 0.02 -0.35 0.58 -0.63 1.20 0.00 0.00 173.24 174.06 2dia s ILE 60 N 2.26 5.06 -0.85 6.45 1.01 -1.26 -3.65 121.20 130.22 2dia s ILE 60 Ca 0.06 1.19 -0.06 0.00 0.00 0.00 0.00 60.65 61.84 2dia s ILE 60 Cb -0.16 -3.92 0.22 0.00 0.01 0.00 0.00 42.46 38.61 2dia s ILE 60 CO -0.16 0.34 0.75 -1.58 0.00 0.00 0.00 174.94 174.28 2dia s GLN 61 N 0.40 3.35 -0.56 2.79 2.00 -0.73 -5.00 119.66 121.91 2dia s GLN 61 Ca 0.31 -2.88 -0.29 0.00 -2.00 0.00 0.00 55.36 50.50 2dia s GLN 61 Cb -0.17 -4.12 -0.11 0.00 0.80 0.00 0.00 33.01 29.41 2dia s GLN 61 CO 0.15 -1.24 2.43 -1.71 -0.50 0.00 0.00 175.29 174.41 2dia n ASN 62 N 3.09 1.86 -4.13 6.67 2.85 -1.26 -3.38 115.26 120.96 2dia n ASN 62 Ca 0.17 -0.11 -0.36 0.00 -0.11 0.00 0.00 54.58 54.17 2dia n ASN 62 Cb 0.40 -1.36 -0.12 0.00 1.24 0.00 0.00 39.78 39.94 2dia n ASN 62 CO 0.00 0.00 0.00 0.20 -2.11 0.00 0.00 177.26 175.35 2dia s ASN 63 N 10.20 5.15 0.00 1.20 0.01 -1.25 -4.98 114.94 125.27 2dia s ASN 63 Ca 1.10 -1.84 -0.04 0.00 -0.71 0.00 0.00 52.86 51.36 2dia s ASN 63 Cb -0.58 -1.79 -0.18 0.00 0.41 0.00 0.00 41.25 39.10 2dia s ASN 63 CO 0.37 -0.46 2.81 1.17 -1.51 0.00 0.00 177.10 179.47 2dia n LYS 64 N 4.59 1.49 -0.02 -0.60 4.81 -1.26 -3.51 118.16 123.65 2dia n LYS 64 Ca -0.05 -0.67 -0.03 0.00 -0.87 0.00 0.00 58.31 56.69 2dia n LYS 64 Cb 0.42 -1.76 -0.03 0.00 0.02 0.00 0.00 35.03 33.67 2dia n LYS 64 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2dia n ASP 65 N 2.41 3.81 0.00 3.14 8.00 -1.26 -5.02 116.55 127.64 2dia n ASP 65 Ca 0.29 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.78 2dia n ASP 65 Cb 0.69 0.39 0.00 0.00 -0.02 0.00 0.00 41.12 42.18 2dia n ASP 65 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dia n GLY 66 N 2.89 0.03 2.92 0.44 0.00 -1.23 -5.16 105.19 105.08 2dia n GLY 66 Ca -0.08 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.80 2dia n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2dia n THR 67 N -0.84 0.00 -4.41 2.61 -2.24 -1.25 -4.40 114.28 103.74 2dia n THR 67 Ca 0.00 -1.43 -0.31 0.00 -2.27 0.00 0.00 64.05 60.04 2dia n THR 67 Cb 0.00 0.92 -0.11 0.00 -2.10 0.00 0.00 70.33 69.05 2dia n THR 67 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2dia s TYR 68 N -3.23 2.70 -0.47 4.78 1.51 -0.75 -3.93 117.35 117.95 2dia s TYR 68 Ca 0.23 -0.17 -0.10 0.00 -1.01 0.00 0.00 57.07 56.03 2dia s TYR 68 Cb -0.01 -1.47 0.12 0.00 -0.11 0.00 0.00 41.96 40.48 2dia s TYR 68 CO 0.17 0.36 0.35 0.00 -1.11 0.00 0.00 175.55 175.32 2dia s ALA 69 N -1.08 3.41 -0.02 3.71 0.00 -1.22 -2.49 121.76 124.08 2dia s ALA 69 Ca 0.18 -2.51 -0.00 0.00 0.00 0.00 0.00 51.96 49.62 2dia s ALA 69 Cb -0.11 -2.85 -0.04 0.00 0.00 0.00 0.00 23.12 20.12 2dia s ALA 69 CO 0.10 -1.90 0.05 0.08 0.00 0.00 0.00 175.76 174.08 2dia s VAL 70 N 1.39 4.53 0.01 0.00 1.01 0.05 -1.77 120.40 125.62 2dia s VAL 70 Ca 0.05 -0.42 -0.07 0.00 0.00 0.00 0.00 61.98 61.54 2dia s VAL 70 Cb -0.26 -3.03 0.00 0.00 0.00 0.00 0.00 36.38 33.09 2dia s VAL 70 CO -0.00 0.40 0.14 -0.89 0.00 0.00 0.00 175.10 174.75 2dia s THR 71 N -1.11 0.09 -0.04 3.92 2.01 -1.24 -0.24 115.64 119.03 2dia s THR 71 Ca 0.20 -0.75 -0.01 0.00 0.31 0.00 0.00 61.69 61.44 2dia s THR 71 Cb -0.12 -0.52 0.03 0.00 0.01 0.00 0.00 72.50 71.90 2dia s THR 71 CO 0.11 -0.41 0.04 -0.72 -0.69 0.00 0.00 174.62 172.94 2dia s TYR 72 N -1.62 0.15 -0.43 4.92 -0.85 -1.20 -2.85 117.35 115.47 2dia s TYR 72 Ca -0.13 0.14 -0.07 0.00 -0.52 0.00 0.00 57.07 56.49 2dia s TYR 72 Cb -0.06 -0.45 0.10 0.00 0.38 0.00 0.00 41.96 41.93 2dia s TYR 72 CO 0.01 -0.17 0.27 0.08 -1.52 0.00 0.00 175.55 174.21 2dia s VAL 73 N 1.71 3.95 0.13 -3.49 1.01 -0.83 -1.17 120.40 121.71 2dia s VAL 73 Ca -0.01 -1.71 -0.31 0.00 0.00 0.00 0.00 61.98 59.95 2dia s VAL 73 Cb -0.12 -3.55 -0.08 0.00 0.00 0.00 0.00 36.38 32.63 2dia s VAL 73 CO -0.03 -0.64 1.35 -2.16 0.00 0.00 0.00 175.10 173.62 2dia s PRO 74 N 1.32 4.35 -0.04 2.72 0.04 -1.26 -3.16 135.00 138.98 2dia s PRO 74 Ca 0.05 2.04 -0.17 0.00 0.04 0.00 0.00 61.00 62.96 2dia s PRO 74 Cb -0.24 -3.25 -0.32 0.00 0.04 0.00 0.00 34.50 30.74 2dia s PRO 74 CO -0.01 -0.38 0.81 -0.07 0.04 0.00 0.00 177.00 177.39 2dia h LEU 75 N 6.50 0.59 -8.87 -3.56 3.38 -1.93 0.99 115.31 112.42 2dia h LEU 75 Ca -0.43 -0.92 -0.69 0.00 0.09 0.00 0.00 57.88 55.94 2dia h LEU 75 Cb 1.21 -0.19 -0.24 0.00 0.09 0.00 0.00 40.66 41.53 2dia h LEU 75 CO 0.84 1.62 -0.85 0.28 0.09 0.00 0.00 178.44 180.41 2dia s THR 76 N -2.52 2.41 0.78 0.22 -1.32 -1.26 -4.68 115.64 109.26 2dia s THR 76 Ca -0.14 -1.43 -0.11 0.00 -1.21 0.00 0.00 61.69 58.80 2dia s THR 76 Cb 0.03 -2.00 0.06 0.00 -1.51 0.00 0.00 72.50 69.08 2dia s THR 76 CO 0.86 0.27 1.08 0.00 -2.21 0.00 0.00 174.62 174.62 2dia s ALA 77 N -0.93 2.25 0.00 11.08 0.00 -1.26 -4.86 121.76 128.04 2dia s ALA 77 Ca 0.14 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.18 2dia s ALA 77 Cb -0.10 -3.21 0.00 0.00 0.00 0.00 0.00 23.12 19.81 2dia s ALA 77 CO 0.05 -1.71 0.00 0.41 0.00 0.00 0.00 175.76 174.50 2dia n GLY 78 N -1.54 2.39 3.68 0.00 0.00 -0.96 -5.00 105.19 103.76 2dia n GLY 78 Ca 0.08 -2.02 -0.42 0.00 0.00 0.00 0.00 46.02 43.66 2dia n GLY 78 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2dia s MET 79 N -1.76 4.20 0.19 1.61 -1.94 -1.26 -2.56 119.30 117.78 2dia s MET 79 Ca 0.00 2.22 0.04 0.00 -1.71 0.00 0.00 55.69 56.24 2dia s MET 79 Cb 0.00 -3.76 -0.03 0.00 2.01 0.00 0.00 34.83 33.05 2dia s MET 79 CO 0.00 -0.76 0.28 0.71 -0.01 0.00 0.00 175.02 175.24 2dia s TYR 80 N 3.18 3.39 -0.45 -0.03 2.02 -0.88 -2.56 117.35 122.02 2dia s TYR 80 Ca 0.72 0.03 0.04 0.00 -0.37 0.00 0.00 57.07 57.49 2dia s TYR 80 Cb -0.36 -1.59 0.12 0.00 -0.40 0.00 0.00 41.96 39.74 2dia s TYR 80 CO 0.30 0.49 0.19 0.99 -1.57 0.00 0.00 175.55 175.96 2dia s THR 81 N -1.86 2.33 0.10 -0.71 2.01 -0.09 -2.72 115.64 114.71 2dia s THR 81 Ca 0.34 -2.89 -0.30 0.00 0.31 0.00 0.00 61.69 59.14 2dia s THR 81 Cb -0.10 -2.66 -0.06 0.00 0.01 0.00 0.00 72.50 69.69 2dia s THR 81 CO 0.28 -0.74 1.18 -0.76 -0.69 0.00 0.00 174.62 173.88 2dia s LEU 82 N 0.19 4.40 -0.31 4.42 1.43 -1.06 -3.26 118.68 124.50 2dia s LEU 82 Ca 0.15 2.05 0.00 0.00 -1.03 0.00 0.00 54.13 55.31 2dia s LEU 82 Cb -0.23 -3.59 0.10 0.00 0.03 0.00 0.00 46.19 42.49 2dia s LEU 82 CO -0.03 -0.41 0.07 -0.89 0.23 0.00 0.00 176.35 175.32 2dia s THR 83 N 0.67 1.26 -0.20 5.49 2.01 0.49 -2.07 115.64 123.29 2dia s THR 83 Ca 0.56 -1.59 -0.08 0.00 0.31 0.00 0.00 61.69 60.89 2dia s THR 83 Cb -0.30 -1.91 -0.04 0.00 0.01 0.00 0.00 72.50 70.26 2dia s THR 83 CO 0.31 -0.60 0.08 -0.32 -0.69 0.00 0.00 174.62 173.40 2dia s MET 84 N 1.43 3.95 -0.12 4.92 0.00 -1.26 0.28 119.30 128.51 2dia s MET 84 Ca 0.09 -0.35 -0.01 0.00 0.00 0.00 0.00 55.69 55.42 2dia s MET 84 Cb -0.18 -3.29 0.03 0.00 0.00 0.00 0.00 34.83 31.39 2dia s MET 84 CO -0.19 0.18 -0.05 0.15 0.00 0.00 0.00 175.02 175.10 2dia s LYS 85 N 0.64 1.31 -0.36 4.11 1.02 -0.42 -2.87 119.74 123.18 2dia s LYS 85 Ca 0.04 -0.23 -0.12 0.00 0.02 0.00 0.00 55.97 55.68 2dia s LYS 85 Cb -0.13 -1.55 0.01 0.00 -0.52 0.00 0.00 37.83 35.64 2dia s LYS 85 CO 0.01 -0.31 0.23 -0.47 -0.92 0.00 0.00 175.35 173.89 2dia s TYR 86 N 1.75 3.23 -1.16 3.18 5.04 0.28 -2.77 117.35 126.90 2dia s TYR 86 Ca 0.04 -0.60 0.00 0.00 -2.44 0.00 0.00 57.07 54.07 2dia s TYR 86 Cb -0.13 -2.47 0.00 0.00 0.35 0.00 0.00 41.96 39.71 2dia s TYR 86 CO -0.08 -0.52 0.00 0.41 -1.34 0.00 0.00 175.55 174.02 2dia n GLY 87 N 5.06 0.72 1.09 8.97 0.00 -0.08 -2.14 105.19 118.81 2dia n GLY 87 Ca -0.12 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2dia n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dia n GLY 88 N -1.32 0.82 3.56 -0.02 0.00 -1.26 -4.93 105.19 102.04 2dia n GLY 88 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 2dia n GLY 88 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dia s GLU 89 N -0.64 2.35 0.44 1.61 2.02 -0.91 -5.05 118.70 118.51 2dia s GLU 89 Ca 0.00 -0.85 -0.22 0.00 0.02 0.00 0.00 54.97 53.92 2dia s GLU 89 Cb 0.00 -2.38 -0.09 0.00 0.10 0.00 0.00 34.13 31.76 2dia s GLU 89 CO 0.00 0.57 1.04 -0.51 0.02 0.00 0.00 175.26 176.38 2dia s LEU 90 N -1.59 4.01 0.37 1.80 1.43 -1.26 0.10 118.68 123.54 2dia s LEU 90 Ca 0.17 1.97 0.00 0.00 -1.03 0.00 0.00 54.13 55.25 2dia s LEU 90 Cb -0.11 -4.35 -0.03 0.00 0.03 0.00 0.00 46.19 41.73 2dia s LEU 90 CO 0.08 -0.60 0.58 0.68 0.23 0.00 0.00 176.35 177.32 2dia s VAL 91 N -1.82 4.96 -2.00 -1.59 -7.23 -1.14 -4.77 120.40 106.82 2dia s VAL 91 Ca 0.62 -0.43 0.10 0.00 -1.81 0.00 0.00 61.98 60.46 2dia s VAL 91 Cb -0.19 -3.82 0.29 0.00 0.56 0.00 0.00 36.38 33.22 2dia s VAL 91 CO 0.24 -0.55 1.04 -0.81 -0.31 0.00 0.00 175.10 174.71 2dia n PRO 92 N -1.85 0.49 -0.07 4.82 -0.04 -1.26 -1.95 135.00 135.14 2dia n PRO 92 Ca -0.04 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.50 2dia n PRO 92 Cb 0.56 -1.32 0.12 0.00 -0.04 0.00 0.00 33.50 32.82 2dia n PRO 92 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2dia n HIS 93 N -0.82 0.04 -3.57 0.54 8.25 -1.26 -5.03 115.22 113.37 2dia n HIS 93 Ca 0.08 -0.90 -0.15 0.00 -0.26 0.00 0.00 57.72 56.48 2dia n HIS 93 Cb 0.03 -0.14 -0.06 0.00 1.12 0.00 0.00 29.99 30.95 2dia n HIS 93 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2dia s PHE 94 N -2.52 -0.50 0.60 4.41 0.40 -0.82 -4.19 117.98 115.36 2dia s PHE 94 Ca 0.27 0.71 -0.17 0.00 -0.60 0.00 0.00 56.93 57.13 2dia s PHE 94 Cb 0.23 0.35 -0.03 0.00 0.51 0.00 0.00 43.02 44.08 2dia s PHE 94 CO 0.03 -0.61 1.12 -1.25 0.70 0.00 0.00 175.22 175.21 2dia s PRO 95 N -1.86 3.11 -0.10 0.24 0.04 -1.26 -4.41 135.00 130.76 2dia s PRO 95 Ca -0.08 1.51 -0.01 0.00 0.04 0.00 0.00 61.00 62.46 2dia s PRO 95 Cb -0.01 -1.98 0.03 0.00 0.04 0.00 0.00 34.50 32.57 2dia s PRO 95 CO 0.03 -1.03 -0.05 0.00 0.04 0.00 0.00 177.00 175.99 2dia s ALA 96 N -2.03 1.09 0.17 8.56 0.00 -0.88 -4.97 121.76 123.71 2dia s ALA 96 Ca 0.70 -0.39 -0.28 0.00 0.00 0.00 0.00 51.96 51.99 2dia s ALA 96 Cb -0.22 -0.83 -0.08 0.00 0.00 0.00 0.00 23.12 21.99 2dia s ALA 96 CO 0.34 -0.41 0.89 1.03 0.00 0.00 0.00 175.76 177.61 2dia s ARG 97 N 1.75 4.72 -0.09 0.00 1.81 -1.26 -2.55 118.95 123.33 2dia s ARG 97 Ca 0.04 1.36 -0.03 0.00 -1.72 0.00 0.00 55.73 55.38 2dia s ARG 97 Cb -0.13 -3.31 0.05 0.00 -0.45 0.00 0.00 34.95 31.11 2dia s ARG 97 CO -0.07 0.44 0.12 0.08 -0.68 0.00 0.00 175.30 175.19 2dia s VAL 98 N -0.79 -0.19 -0.22 3.52 1.01 -1.10 -4.96 120.40 117.66 2dia s VAL 98 Ca 0.41 0.29 -0.29 0.00 0.00 0.00 0.00 61.98 62.39 2dia s VAL 98 Cb -0.24 -0.30 -0.02 0.00 0.00 0.00 0.00 36.38 35.82 2dia s VAL 98 CO 0.29 0.08 1.46 -0.75 0.00 0.00 0.00 175.10 176.19 2dia s LYS 99 N 2.23 3.94 -0.14 2.72 2.20 -1.26 -2.07 119.74 127.37 2dia s LYS 99 Ca 0.04 1.58 -0.10 0.00 -0.36 0.00 0.00 55.97 57.13 2dia s LYS 99 Cb -0.13 -3.94 -0.05 0.00 -1.51 0.00 0.00 37.83 32.21 2dia s LYS 99 CO -0.06 -1.10 0.18 0.08 -0.36 0.00 0.00 175.35 174.10 2dia s VAL 100 N 4.55 5.41 0.25 4.02 1.01 -1.06 -3.74 120.40 130.84 2dia s VAL 100 Ca 0.64 0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.96 2dia s VAL 100 Cb -0.23 -3.48 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 2dia s VAL 100 CO 0.25 0.53 0.40 -1.61 0.00 0.00 0.00 175.10 174.66 2dia s GLU 101 N -0.39 3.46 0.76 2.72 2.02 -0.29 -2.27 118.70 124.71 2dia s GLU 101 Ca 0.14 -0.59 -0.11 0.00 0.02 0.00 0.00 54.97 54.42 2dia s GLU 101 Cb -0.12 -2.84 0.05 0.00 0.10 0.00 0.00 34.13 31.32 2dia s GLU 101 CO 0.03 0.37 1.09 -1.25 0.02 0.00 0.00 175.26 175.53 2dia s PRO 102 N -3.88 2.31 -0.52 0.39 0.04 -1.26 -1.39 135.00 130.69 2dia s PRO 102 Ca 0.36 1.20 -0.03 0.00 0.04 0.00 0.00 61.00 62.57 2dia s PRO 102 Cb -0.10 -1.90 0.20 0.00 0.04 0.00 0.00 34.50 32.74 2dia s PRO 102 CO 0.31 -1.61 2.38 0.00 0.04 0.00 0.00 177.00 178.11 2dia n ALA 103 N -3.39 6.14 0.81 8.56 0.00 -1.26 -4.54 120.51 126.83 2dia n ALA 103 Ca 0.09 -2.96 0.09 0.00 0.00 0.00 0.00 53.44 50.67 2dia n ALA 103 Cb 0.53 -1.89 0.45 0.00 0.00 0.00 0.00 19.45 18.54 2dia n ALA 103 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2dia n VAL 104 N 0.28 0.53 -2.25 0.00 0.31 -1.26 -4.75 118.33 111.18 2dia n VAL 104 Ca 0.47 0.13 -0.42 0.00 -0.01 0.00 0.00 64.34 64.51 2dia n VAL 104 Cb 0.52 -0.82 -0.03 0.00 -0.91 0.00 0.00 33.84 32.60 2dia n VAL 104 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2dia s ASP 105 N -2.71 6.87 -0.04 4.52 2.15 -1.26 -5.01 116.67 121.19 2dia s ASP 105 Ca 0.15 2.06 -0.01 0.00 0.43 0.00 0.00 52.55 55.17 2dia s ASP 105 Cb 0.13 -2.56 0.03 0.00 -0.30 0.00 0.00 42.92 40.22 2dia s ASP 105 CO 0.31 -0.71 0.06 -0.89 -0.17 0.00 0.00 175.17 173.76 2dia s THR 106 N 2.52 -0.10 1.01 1.71 2.01 -1.26 -5.14 115.64 116.39 2dia s THR 106 Ca 0.63 0.34 -0.22 0.00 0.31 0.00 0.00 61.69 62.75 2dia s THR 106 Cb -0.30 -0.14 -0.12 0.00 0.01 0.00 0.00 72.50 71.95 2dia s THR 106 CO 0.25 0.14 -0.94 -1.54 -0.69 0.00 0.00 174.62 171.85 2dia n SER 107 N 4.89 -3.73 -4.78 3.53 3.41 -1.26 -4.90 113.62 110.78 2dia n SER 107 Ca -0.12 0.06 -0.39 0.00 -0.26 0.00 0.00 58.87 58.16 2dia n SER 107 Cb 0.50 -0.71 -0.06 0.00 -0.26 0.00 0.00 64.21 63.69 2dia n SER 107 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2dia s SER 108 N -1.21 7.19 0.00 4.04 0.01 -1.26 -4.93 113.70 117.54 2dia s SER 108 Ca 0.42 1.41 0.00 0.00 1.31 0.00 0.00 55.95 59.09 2dia s SER 108 Cb -0.04 -2.42 0.00 0.00 0.21 0.00 0.00 66.02 63.77 2dia s SER 108 CO 0.71 0.19 0.00 0.61 0.41 0.00 0.00 173.24 175.16 2dia n GLY 109 N 1.87 2.39 0.26 3.44 0.00 -1.26 -4.84 105.19 107.06 2dia n GLY 109 Ca -0.07 -1.63 0.14 0.00 0.00 0.00 0.00 46.02 44.47 2dia n GLY 109 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dia h PRO 110 N 0.00 0.00 -4.33 1.61 0.13 -2.02 -3.46 132.00 123.93 2dia h PRO 110 Ca 0.00 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.53 2dia h PRO 110 Cb 0.00 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.15 2dia h PRO 110 CO 0.00 0.09 0.23 0.43 -0.23 0.00 0.00 178.00 178.52 2dia n SER 111 N -3.25 0.34 -3.43 1.44 7.64 -1.26 -4.92 113.62 110.17 2dia n SER 111 Ca 0.00 0.85 0.01 0.00 1.01 0.00 0.00 58.87 60.74 2dia n SER 111 Cb 0.33 -0.65 -0.05 0.00 -1.01 0.00 0.00 64.21 62.83 2dia n SER 111 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dia s SER 112 N 0.87 -0.41 0.00 6.43 1.04 -1.26 -5.10 113.70 115.26 2dia s SER 112 Ca 0.70 0.59 0.00 0.00 0.48 0.00 0.00 55.95 57.72 2dia s SER 112 Cb -0.98 1.39 0.00 0.00 0.10 0.00 0.00 66.02 66.53 2dia s SER 112 CO 0.48 -0.09 0.00 0.61 0.98 0.00 0.00 173.24 175.23