#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 -0.28 -0.24 1.61 1.04 -1.26 -5.07 113.70 109.51 2dia s SER 2 Ca 0.00 0.44 -0.16 0.00 0.48 0.00 0.00 55.95 56.71 2dia s SER 2 Cb 0.00 1.12 -0.17 0.00 0.10 0.00 0.00 66.02 67.08 2dia s SER 2 CO 0.00 -0.07 -0.04 -1.54 0.98 0.00 0.00 173.24 172.58 2dia n SER 3 N 3.42 1.92 0.00 7.02 3.41 -1.26 -5.11 113.62 123.03 2dia n SER 3 Ca -0.18 0.35 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 2dia n SER 3 Cb 0.57 -0.87 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 2dia n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2dia n GLY 4 N 1.44 -0.73 3.40 5.00 0.00 -1.26 -5.17 105.19 107.87 2dia n GLY 4 Ca -0.42 0.11 -0.20 0.00 0.00 0.00 0.00 46.02 45.51 2dia n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dia s SER 5 N -4.00 2.31 0.40 1.61 0.01 -1.26 -5.12 113.70 107.65 2dia s SER 5 Ca 0.00 -1.25 -0.26 0.00 1.31 0.00 0.00 55.95 55.75 2dia s SER 5 Cb 0.00 -0.08 -0.11 0.00 0.21 0.00 0.00 66.02 66.04 2dia s SER 5 CO 0.00 -0.48 1.27 -0.24 0.41 0.00 0.00 173.24 174.21 2dia n SER 6 N -0.55 2.61 -3.43 2.44 2.88 -1.26 -4.99 113.62 111.33 2dia n SER 6 Ca -0.04 1.14 -0.28 0.00 -1.33 0.00 0.00 58.87 58.36 2dia n SER 6 Cb 0.64 -1.49 -0.11 0.00 -0.75 0.00 0.00 64.21 62.50 2dia n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dia s GLY 7 N -0.46 1.07 0.52 0.46 0.00 -1.26 -5.13 107.32 102.52 2dia s GLY 7 Ca 0.59 -2.22 -0.21 0.00 0.00 0.00 0.00 44.72 42.88 2dia s GLY 7 CO 0.59 2.10 1.14 2.56 0.00 0.00 0.00 173.10 179.49 2dia s PRO 8 N 0.46 3.48 0.26 2.90 0.04 -1.26 -4.24 135.00 136.64 2dia s PRO 8 Ca 0.27 1.66 -0.31 0.00 0.04 0.00 0.00 61.00 62.66 2dia s PRO 8 Cb -0.07 -2.13 -0.12 0.00 0.04 0.00 0.00 34.50 32.22 2dia s PRO 8 CO -0.11 -0.75 1.61 0.34 0.04 0.00 0.00 177.00 178.13 2dia n PHE 9 N -1.05 2.73 -3.19 0.56 7.35 -1.22 -3.99 117.46 118.66 2dia n PHE 9 Ca 0.10 0.21 0.01 0.00 -0.76 0.00 0.00 57.45 57.02 2dia n PHE 9 Cb 0.50 -2.60 -0.02 0.00 0.35 0.00 0.00 39.48 37.71 2dia n PHE 9 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2dia s ASP 10 N 0.68 -1.13 0.52 -2.13 -1.08 0.64 -4.94 116.67 109.23 2dia s ASP 10 Ca 0.68 0.49 0.31 0.00 -0.52 0.00 0.00 52.55 53.51 2dia s ASP 10 Cb -0.52 1.92 1.29 0.00 -1.46 0.00 0.00 42.92 44.14 2dia s ASP 10 CO 0.44 -0.28 1.96 1.55 0.52 0.00 0.00 175.17 179.35 2dia h PRO 11 N 8.03 0.00 0.00 4.34 0.13 -1.88 -2.78 132.00 139.85 2dia h PRO 11 Ca -0.15 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.91 2dia h PRO 11 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2dia h PRO 11 CO 0.23 0.08 -0.37 1.03 -0.23 0.00 0.00 178.00 178.74 2dia h SER 12 N 0.00 0.00 0.64 1.44 0.87 -1.95 -2.50 113.55 112.05 2dia h SER 12 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2dia h SER 12 Cb 0.54 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 2dia h SER 12 CO 0.01 0.37 -0.21 0.29 -0.53 0.00 0.00 176.83 176.76 2dia n LYS 13 N -3.63 0.20 -2.36 2.24 4.76 -1.05 -4.82 118.16 113.51 2dia n LYS 13 Ca -0.01 -0.07 -0.42 0.00 -2.87 0.00 0.00 58.31 54.94 2dia n LYS 13 Cb 0.48 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 32.14 2dia n LYS 13 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2dia s VAL 14 N -2.85 3.97 -0.18 -0.18 1.01 -0.94 -4.54 120.40 116.69 2dia s VAL 14 Ca 0.17 1.36 -0.06 0.00 0.00 0.00 0.00 61.98 63.45 2dia s VAL 14 Cb 0.19 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 2dia s VAL 14 CO 0.57 0.04 0.03 -0.69 0.00 0.00 0.00 175.10 175.05 2dia s VAL 15 N 1.87 4.46 -0.07 2.92 1.01 -1.22 -4.73 120.40 124.63 2dia s VAL 15 Ca 0.60 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.45 2dia s VAL 15 Cb -0.29 -3.00 0.01 0.00 0.00 0.00 0.00 36.38 33.10 2dia s VAL 15 CO 0.26 0.46 -0.16 0.00 0.00 0.00 0.00 175.10 175.66 2dia s ALA 16 N 0.50 1.52 0.29 5.51 0.00 -1.26 -1.59 121.76 126.72 2dia s ALA 16 Ca 0.01 -0.58 -0.03 0.00 0.00 0.00 0.00 51.96 51.36 2dia s ALA 16 Cb -0.13 -0.62 0.01 0.00 0.00 0.00 0.00 23.12 22.38 2dia s ALA 16 CO 0.01 0.18 0.43 0.43 0.00 0.00 0.00 175.76 176.81 2dia n SER 17 N 3.67 -1.22 0.00 0.00 7.64 -1.08 -5.00 113.62 117.62 2dia n SER 17 Ca -0.21 -2.48 0.00 0.00 1.01 0.00 0.00 58.87 57.19 2dia n SER 17 Cb 0.52 2.22 0.00 0.00 -1.01 0.00 0.00 64.21 65.94 2dia n SER 17 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dia n GLY 18 N -0.46 3.09 0.20 0.23 0.00 -1.26 -2.11 105.19 104.87 2dia n GLY 18 Ca -0.01 -1.92 0.05 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.93 132.00 128.91 2dia h PRO 19 Ca 0.00 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.08 2dia h PRO 19 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2dia h PRO 19 CO 0.00 0.35 -0.22 0.78 -0.23 0.00 0.00 178.00 178.68 2dia h GLY 20 N 1.61 0.00 0.13 1.56 0.00 -1.64 -0.60 103.07 104.14 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 0.05 0.00 -0.00 1.04 0.00 0.00 0.00 176.54 177.62 2dia n LEU 21 N -3.70 0.90 -0.03 3.11 4.77 -1.11 -3.80 117.00 117.14 2dia n LEU 21 Ca -0.01 -0.30 -0.04 0.00 -0.03 0.00 0.00 56.01 55.63 2dia n LEU 21 Cb 0.33 -0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.37 2dia n LEU 21 CO 0.33 0.15 -0.72 -0.62 -1.33 0.00 0.00 177.39 175.21 2dia n GLU 22 N -0.30 2.40 -3.59 3.23 1.02 -0.72 -4.89 120.64 117.78 2dia n GLU 22 Ca 0.21 0.01 -0.04 0.00 -0.02 0.00 0.00 57.16 57.32 2dia n GLU 22 Cb 0.26 -1.16 -0.02 0.00 -0.02 0.00 0.00 31.44 30.50 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 -2.15 -0.15 0.31 -0.32 -3.43 -0.31 -4.67 115.29 104.57 2dia s HIS 23 Ca -0.05 0.07 -0.03 0.00 -0.80 0.00 0.00 55.06 54.25 2dia s HIS 23 Cb 0.02 0.53 -0.01 0.00 -1.43 0.00 0.00 32.58 31.69 2dia s HIS 23 CO 0.24 -0.29 0.42 0.20 -2.00 0.00 0.00 174.74 173.31 2dia s GLY 24 N -2.38 1.40 -0.06 -1.38 0.00 -1.21 -3.99 107.32 99.71 2dia s GLY 24 Ca 0.10 -1.48 -0.04 0.00 0.00 0.00 0.00 44.72 43.29 2dia s GLY 24 CO -0.05 -1.02 0.15 1.25 0.00 0.00 0.00 173.10 173.42 2dia s LYS 25 N -3.37 0.14 -0.41 2.90 2.20 -1.26 -1.34 119.74 118.61 2dia s LYS 25 Ca 0.31 0.26 -0.33 0.00 -0.36 0.00 0.00 55.97 55.86 2dia s LYS 25 Cb 0.01 -0.01 -0.11 0.00 -1.51 0.00 0.00 37.83 36.21 2dia s LYS 25 CO 0.18 -0.07 2.27 0.28 -0.36 0.00 0.00 175.35 177.65 2dia n VAL 26 N 3.43 0.15 0.00 4.02 0.31 -0.33 0.13 118.33 126.04 2dia n VAL 26 Ca -0.17 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 63.82 2dia n VAL 26 Cb 0.56 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 31.67 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 6.37 2.24 3.44 2.92 0.00 0.15 -4.34 105.19 115.97 2dia n GLY 27 Ca 0.41 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.29 -2.75 -4.04 1.61 -0.58 0.12 -4.83 120.64 109.87 2dia n GLU 28 Ca 0.00 -1.74 -0.31 0.00 -0.42 0.00 0.00 57.16 54.69 2dia n GLU 28 Cb 0.00 -1.53 -0.16 0.00 -0.57 0.00 0.00 31.44 29.17 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 -3.19 2.01 -0.67 0.62 0.00 -1.26 -3.97 121.76 115.30 2dia s ALA 29 Ca 0.69 -1.04 -0.27 0.00 0.00 0.00 0.00 51.96 51.34 2dia s ALA 29 Cb -0.06 -1.13 0.00 0.00 0.00 0.00 0.00 23.12 21.93 2dia s ALA 29 CO 0.52 -0.46 1.58 0.20 0.00 0.00 0.00 175.76 177.60 2dia s GLY 30 N 1.42 0.53 -0.06 0.00 0.00 0.24 -4.83 107.32 104.63 2dia s GLY 30 Ca 0.04 -1.00 -0.30 0.00 0.00 0.00 0.00 44.72 43.46 2dia s GLY 30 CO -0.11 3.04 1.77 1.08 0.00 0.00 0.00 173.10 178.88 2dia s LEU 31 N 7.45 4.26 -0.05 0.66 1.43 -1.26 -3.29 118.68 127.88 2dia s LEU 31 Ca 0.51 2.27 0.02 0.00 -1.03 0.00 0.00 54.13 55.90 2dia s LEU 31 Cb -0.10 -3.53 0.01 0.00 0.03 0.00 0.00 46.19 42.60 2dia s LEU 31 CO 0.18 -1.06 -0.08 -0.76 0.23 0.00 0.00 176.35 174.86 2dia s LEU 32 N 4.52 1.55 -0.09 1.79 1.43 0.73 -2.68 118.68 125.93 2dia s LEU 32 Ca 0.79 -0.20 0.03 0.00 -1.03 0.00 0.00 54.13 53.72 2dia s LEU 32 Cb -0.35 -0.59 0.01 0.00 0.03 0.00 0.00 46.19 45.29 2dia s LEU 32 CO 0.33 0.00 -0.16 -0.44 0.23 0.00 0.00 176.35 176.31 2dia s SER 33 N 0.64 2.32 -0.35 2.29 0.01 -0.90 -0.30 113.70 117.41 2dia s SER 33 Ca -0.11 -0.41 -0.05 0.00 1.31 0.00 0.00 55.95 56.70 2dia s SER 33 Cb -0.13 -1.06 0.06 0.00 0.21 0.00 0.00 66.02 65.10 2dia s SER 33 CO 0.01 0.06 0.11 -0.69 0.41 0.00 0.00 173.24 173.15 2dia s VAL 34 N 0.67 3.55 -0.72 3.43 1.01 -0.79 -2.64 120.40 124.90 2dia s VAL 34 Ca -0.14 -1.38 -0.23 0.00 0.00 0.00 0.00 61.98 60.24 2dia s VAL 34 Cb -0.16 -3.10 0.07 0.00 0.00 0.00 0.00 36.38 33.19 2dia s VAL 34 CO 0.04 -0.28 1.05 -1.81 0.00 0.00 0.00 175.10 174.10 2dia s ASP 35 N 1.52 6.24 -0.39 3.32 1.01 -0.62 -2.47 116.67 125.27 2dia s ASP 35 Ca -0.00 -1.05 -0.12 0.00 0.71 0.00 0.00 52.55 52.09 2dia s ASP 35 Cb -0.21 -2.44 0.03 0.00 1.01 0.00 0.00 42.92 41.31 2dia s ASP 35 CO 0.01 -1.46 0.24 0.00 0.21 0.00 0.00 175.17 174.16 2dia n SER 37 N 5.04 0.16 -0.00 0.00 3.41 -1.26 -4.79 113.62 116.18 2dia n SER 37 Ca -0.11 0.02 0.09 0.00 -0.26 0.00 0.00 58.87 58.61 2dia n SER 37 Cb 0.46 -0.05 -0.11 0.00 -0.26 0.00 0.00 64.21 64.25 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 -3.06 0.87 -0.11 4.33 -0.58 -1.26 -4.51 120.64 116.32 2dia n GLU 38 Ca 0.00 -0.04 -0.05 0.00 -0.42 0.00 0.00 57.16 56.64 2dia n GLU 38 Cb 0.41 -1.38 0.01 0.00 -0.57 0.00 0.00 31.44 29.91 2dia n GLU 38 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2dia h ALA 39 N 2.37 0.14 0.00 0.62 0.00 -1.80 -3.43 119.26 117.17 2dia h ALA 39 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2dia h ALA 39 Cb 0.54 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2dia h ALA 39 CO 0.00 -0.53 0.00 0.41 0.00 0.00 0.00 179.25 179.13 2dia n GLY 40 N -1.35 -0.84 0.00 0.00 0.00 -1.26 0.23 105.19 101.98 2dia n GLY 40 Ca 0.02 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.99 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 0.26 0.00 1.61 -0.04 -1.26 -4.88 135.00 130.69 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 2.44 2.40 3.79 0.55 0.00 -1.26 -4.74 105.19 108.38 2dia n GLY 42 Ca 0.00 -1.77 -0.37 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.17 3.68 0.02 4.61 0.00 -1.26 -4.67 121.76 121.97 2dia s ALA 43 Ca 0.00 -0.41 -0.17 0.00 0.00 0.00 0.00 51.96 51.38 2dia s ALA 43 Cb 0.00 -2.31 -0.06 0.00 0.00 0.00 0.00 23.12 20.76 2dia s ALA 43 CO 0.00 0.33 0.49 -1.17 0.00 0.00 0.00 175.76 175.40 2dia s LEU 44 N -0.34 4.47 -0.16 0.00 2.96 -1.26 -0.71 118.68 123.64 2dia s LEU 44 Ca 0.19 1.07 -0.07 0.00 -0.22 0.00 0.00 54.13 55.10 2dia s LEU 44 Cb -0.14 -2.74 0.07 0.00 0.50 0.00 0.00 46.19 43.88 2dia s LEU 44 CO 0.07 0.26 0.37 -0.83 -1.32 0.00 0.00 176.35 174.90 2dia s GLY 45 N -0.85 -0.28 -0.04 7.98 0.00 -1.10 -5.02 107.32 108.01 2dia s GLY 45 Ca 0.26 1.37 0.02 0.00 0.00 0.00 0.00 44.72 46.38 2dia s GLY 45 CO 0.15 1.85 -0.09 -2.27 0.00 0.00 0.00 173.10 172.74 2dia s LEU 46 N 1.84 3.04 -0.20 0.66 2.96 -1.26 -1.38 118.68 124.34 2dia s LEU 46 Ca -0.06 -0.12 -0.01 0.00 -0.22 0.00 0.00 54.13 53.72 2dia s LEU 46 Cb -0.10 -1.68 0.05 0.00 0.50 0.00 0.00 46.19 44.96 2dia s LEU 46 CO -0.12 0.33 -0.01 -0.70 -1.32 0.00 0.00 176.35 174.53 2dia s GLU 47 N -0.99 1.15 -0.19 1.98 2.56 0.19 -4.94 118.70 118.45 2dia s GLU 47 Ca 0.14 -0.62 -0.10 0.00 0.00 0.00 0.00 54.97 54.39 2dia s GLU 47 Cb -0.11 -2.21 -0.05 0.00 2.00 0.00 0.00 34.13 33.76 2dia s GLU 47 CO 0.03 -0.57 0.14 0.00 -0.56 0.00 0.00 175.26 174.30 2dia s ALA 48 N 1.66 3.69 -0.11 6.30 0.00 -1.26 -0.67 121.76 131.36 2dia s ALA 48 Ca -0.02 -0.67 -0.06 0.00 0.00 0.00 0.00 51.96 51.21 2dia s ALA 48 Cb -0.17 -2.18 0.05 0.00 0.00 0.00 0.00 23.12 20.82 2dia s ALA 48 CO -0.07 0.18 0.26 0.08 0.00 0.00 0.00 175.76 176.21 2dia s VAL 49 N 0.30 -0.03 0.58 0.00 1.01 -1.22 -2.75 120.40 118.29 2dia s VAL 49 Ca 0.09 0.13 -0.14 0.00 0.00 0.00 0.00 61.98 62.06 2dia s VAL 49 Cb -0.11 -0.40 -0.05 0.00 0.00 0.00 0.00 36.38 35.82 2dia s VAL 49 CO -0.01 0.05 1.02 -0.55 0.00 0.00 0.00 175.10 175.61 2dia s SER 50 N 1.16 6.23 0.22 3.32 0.15 -0.42 -0.30 113.70 124.06 2dia s SER 50 Ca -0.08 1.55 -0.09 0.00 0.70 0.00 0.00 55.95 58.03 2dia s SER 50 Cb -0.09 -2.50 0.35 0.00 -1.71 0.00 0.00 66.02 62.07 2dia s SER 50 CO -0.08 -0.86 1.68 -2.24 1.20 0.00 0.00 173.24 172.94 2dia h ASP 51 N 0.22 -0.12 0.73 5.45 2.03 -1.47 0.55 116.42 123.80 2dia h ASP 51 Ca -0.45 0.14 -0.00 0.00 -0.73 0.00 0.00 57.03 55.99 2dia h ASP 51 Cb 1.19 0.22 -0.00 0.00 -0.83 0.00 0.00 39.33 39.91 2dia h ASP 51 CO 0.61 -0.06 -0.01 0.28 -1.03 0.00 0.00 179.24 179.03 2dia h SER 52 N 0.20 0.00 0.00 4.15 0.02 -1.93 -3.46 113.55 112.53 2dia h SER 52 Ca 0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 2dia h SER 52 Cb 0.57 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.11 2dia h SER 52 CO -0.50 0.01 0.00 0.61 -1.14 0.00 0.00 176.83 175.81 2dia n GLY 53 N -0.28 0.93 3.42 -3.77 0.00 0.19 -5.10 105.19 100.59 2dia n GLY 53 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.72 4.93 0.00 2.61 2.01 -1.22 -4.80 115.64 117.45 2dia s THR 54 Ca 0.00 -0.73 -0.30 0.00 0.31 0.00 0.00 61.69 60.96 2dia s THR 54 Cb 0.00 -3.74 -0.05 0.00 0.01 0.00 0.00 72.50 68.73 2dia s THR 54 CO 0.00 -0.26 1.23 -0.54 -0.69 0.00 0.00 174.62 174.36 2dia s LYS 55 N 1.62 4.38 0.09 4.92 1.02 -1.26 -1.31 119.74 129.20 2dia s LYS 55 Ca 0.04 1.76 0.01 0.00 0.02 0.00 0.00 55.97 57.80 2dia s LYS 55 Cb -0.19 -3.47 -0.04 0.00 -0.52 0.00 0.00 37.83 33.61 2dia s LYS 55 CO 0.08 -0.38 0.20 0.00 -0.92 0.00 0.00 175.35 174.33 2dia s ALA 56 N 1.73 3.90 -0.03 5.17 0.00 -1.11 -4.86 121.76 126.57 2dia s ALA 56 Ca 0.58 -0.93 -0.30 0.00 0.00 0.00 0.00 51.96 51.31 2dia s ALA 56 Cb -0.28 -1.73 -0.06 0.00 0.00 0.00 0.00 23.12 21.06 2dia s ALA 56 CO 0.26 0.73 1.52 -1.21 0.00 0.00 0.00 175.76 177.06 2dia s GLU 57 N -2.69 4.23 0.02 0.00 2.02 -1.23 -4.66 118.70 116.40 2dia s GLU 57 Ca 0.34 2.08 0.07 0.00 0.02 0.00 0.00 54.97 57.48 2dia s GLU 57 Cb -0.12 -3.75 -0.02 0.00 0.10 0.00 0.00 34.13 30.33 2dia s GLU 57 CO 0.27 -0.72 -0.22 0.08 0.02 0.00 0.00 175.26 174.69 2dia s VAL 58 N 3.16 1.76 -0.08 2.63 1.01 -1.26 -2.16 120.40 125.46 2dia s VAL 58 Ca 0.68 -1.14 -0.06 0.00 0.00 0.00 0.00 61.98 61.46 2dia s VAL 58 Cb -0.32 -1.50 0.03 0.00 0.00 0.00 0.00 36.38 34.58 2dia s VAL 58 CO 0.27 0.33 0.21 -0.55 0.00 0.00 0.00 175.10 175.36 2dia s SER 59 N -0.96 -0.22 -0.08 3.32 0.15 -1.14 -5.03 113.70 109.74 2dia s SER 59 Ca 0.08 0.43 0.02 0.00 0.70 0.00 0.00 55.95 57.19 2dia s SER 59 Cb -0.09 0.38 -0.02 0.00 -1.71 0.00 0.00 66.02 64.58 2dia s SER 59 CO 0.01 -0.11 -0.13 -0.63 1.20 0.00 0.00 173.24 173.58 2dia s ILE 60 N 0.61 3.12 -0.03 6.45 1.01 -1.26 -2.91 121.20 128.19 2dia s ILE 60 Ca -0.04 -0.68 0.03 0.00 0.00 0.00 0.00 60.65 59.96 2dia s ILE 60 Cb -0.06 -2.26 0.00 0.00 0.01 0.00 0.00 42.46 40.16 2dia s ILE 60 CO -0.03 0.57 -0.09 -1.58 0.00 0.00 0.00 174.94 173.80 2dia s GLN 61 N -0.34 1.01 0.21 2.79 -0.44 -1.12 -4.98 119.66 116.79 2dia s GLN 61 Ca 0.03 -0.31 0.04 0.00 -2.50 0.00 0.00 55.36 52.62 2dia s GLN 61 Cb -0.13 -0.93 -0.03 0.00 -1.64 0.00 0.00 33.01 30.28 2dia s GLN 61 CO 0.02 0.11 0.34 0.54 0.50 0.00 0.00 175.29 176.80 2dia s ASN 62 N 0.21 6.33 0.30 6.67 2.20 -1.26 -0.62 114.94 128.76 2dia s ASN 62 Ca -0.04 0.11 0.02 0.00 -0.94 0.00 0.00 52.86 52.01 2dia s ASN 62 Cb -0.09 -1.88 -0.01 0.00 -2.00 0.00 0.00 41.25 37.27 2dia s ASN 62 CO 0.01 -0.03 0.06 0.59 -2.94 0.00 0.00 177.10 174.78 2dia n ASN 63 N -1.12 1.85 0.00 3.54 3.02 -1.04 -4.96 115.26 116.56 2dia n ASN 63 Ca -0.08 -2.46 0.11 0.00 -0.03 0.00 0.00 54.58 52.12 2dia n ASN 63 Cb 0.56 0.51 0.12 0.00 -0.61 0.00 0.00 39.78 40.36 2dia n ASN 63 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2dia n LYS 64 N -0.70 0.03 0.04 3.52 4.76 -1.26 -3.99 118.16 120.56 2dia n LYS 64 Ca -0.08 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.32 2dia n LYS 64 Cb 0.42 -1.51 -0.09 0.00 -1.84 0.00 0.00 35.03 32.00 2dia n LYS 64 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2dia h ASP 65 N 0.00 0.00 0.00 4.39 3.32 -2.03 -3.48 116.42 118.62 2dia h ASP 65 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2dia h ASP 65 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 2dia h ASP 65 CO 0.00 0.81 0.00 0.61 -1.72 0.00 0.00 179.24 178.94 2dia n GLY 66 N 1.40 1.62 3.59 2.75 0.00 -1.26 -5.08 105.19 108.21 2dia n GLY 66 Ca -0.07 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.70 2dia n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dia s THR 67 N -2.00 3.22 -0.07 2.61 -4.23 -1.26 -3.67 115.64 110.24 2dia s THR 67 Ca 0.00 -1.82 0.04 0.00 -1.18 0.00 0.00 61.69 58.73 2dia s THR 67 Cb 0.00 -2.65 -0.02 0.00 1.34 0.00 0.00 72.50 71.17 2dia s THR 67 CO 0.00 -0.23 -0.19 -0.31 -0.54 0.00 0.00 174.62 173.35 2dia s TYR 68 N -2.01 2.60 -0.61 3.99 2.02 -1.03 -2.50 117.35 119.80 2dia s TYR 68 Ca 0.28 -0.47 -0.11 0.00 -0.37 0.00 0.00 57.07 56.39 2dia s TYR 68 Cb -0.08 -1.65 0.16 0.00 -0.40 0.00 0.00 41.96 39.99 2dia s TYR 68 CO 0.17 -0.05 0.51 0.00 -1.57 0.00 0.00 175.55 174.61 2dia s ALA 69 N -0.31 3.67 -0.07 3.71 0.00 0.20 -1.89 121.76 127.07 2dia s ALA 69 Ca 0.02 -2.88 -0.11 0.00 0.00 0.00 0.00 51.96 48.99 2dia s ALA 69 Cb -0.13 -3.08 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 2dia s ALA 69 CO 0.02 -2.07 0.27 0.08 0.00 0.00 0.00 175.76 174.07 2dia s VAL 70 N 0.84 5.29 0.01 0.00 1.01 0.59 -2.80 120.40 125.34 2dia s VAL 70 Ca 0.10 0.50 -0.03 0.00 0.00 0.00 0.00 61.98 62.56 2dia s VAL 70 Cb -0.21 -3.55 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 2dia s VAL 70 CO -0.03 0.59 0.05 -0.89 0.00 0.00 0.00 175.10 174.82 2dia s THR 71 N -0.96 0.08 -0.02 3.92 2.01 -1.14 -0.20 115.64 119.33 2dia s THR 71 Ca 0.19 -0.68 0.00 0.00 0.31 0.00 0.00 61.69 61.51 2dia s THR 71 Cb -0.14 -0.30 0.03 0.00 0.01 0.00 0.00 72.50 72.09 2dia s THR 71 CO 0.08 -0.38 0.01 -0.72 -0.69 0.00 0.00 174.62 172.92 2dia s TYR 72 N -1.20 0.21 -0.40 4.92 -0.85 -1.21 -2.86 117.35 115.96 2dia s TYR 72 Ca -0.13 0.04 -0.04 0.00 -0.52 0.00 0.00 57.07 56.43 2dia s TYR 72 Cb -0.08 -0.33 0.10 0.00 0.38 0.00 0.00 41.96 42.03 2dia s TYR 72 CO 0.00 -0.11 0.19 0.08 -1.52 0.00 0.00 175.55 174.19 2dia s VAL 73 N 0.98 3.37 0.18 -3.49 1.01 -0.92 -0.59 120.40 120.94 2dia s VAL 73 Ca -0.09 -1.90 -0.30 0.00 0.00 0.00 0.00 61.98 59.69 2dia s VAL 73 Cb -0.13 -3.24 -0.08 0.00 0.00 0.00 0.00 36.38 32.93 2dia s VAL 73 CO -0.02 -0.60 1.32 -2.16 0.00 0.00 0.00 175.10 173.64 2dia s PRO 74 N 1.19 4.38 -0.07 2.72 0.04 -1.25 -3.49 135.00 138.52 2dia s PRO 74 Ca 0.06 2.04 -0.08 0.00 0.04 0.00 0.00 61.00 63.06 2dia s PRO 74 Cb -0.23 -3.21 -0.29 0.00 0.04 0.00 0.00 34.50 30.81 2dia s PRO 74 CO -0.03 -0.29 0.57 -0.07 0.04 0.00 0.00 177.00 177.23 2dia h LEU 75 N 5.72 0.52 -8.43 -3.56 3.38 -1.92 0.43 115.31 111.45 2dia h LEU 75 Ca -0.44 -0.90 -0.61 0.00 0.09 0.00 0.00 57.88 56.02 2dia h LEU 75 Cb 1.21 -0.17 -0.30 0.00 0.09 0.00 0.00 40.66 41.50 2dia h LEU 75 CO 0.79 1.78 -0.86 0.28 0.09 0.00 0.00 178.44 180.52 2dia s THR 76 N -2.57 1.65 0.93 0.22 -1.32 -1.26 -4.69 115.64 108.60 2dia s THR 76 Ca -0.17 -0.89 -0.11 0.00 -1.21 0.00 0.00 61.69 59.30 2dia s THR 76 Cb 0.06 -1.38 0.15 0.00 -1.51 0.00 0.00 72.50 69.82 2dia s THR 76 CO 0.82 0.47 1.10 0.00 -2.21 0.00 0.00 174.62 174.80 2dia s ALA 77 N -0.47 1.30 0.00 11.08 0.00 -1.26 -4.89 121.76 127.52 2dia s ALA 77 Ca 0.08 0.25 0.00 0.00 0.00 0.00 0.00 51.96 52.29 2dia s ALA 77 Cb -0.08 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.72 2dia s ALA 77 CO -0.01 -2.66 0.00 0.41 0.00 0.00 0.00 175.76 173.50 2dia n GLY 78 N -0.28 1.85 3.68 0.00 0.00 -0.91 -5.00 105.19 104.52 2dia n GLY 78 Ca 0.09 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.65 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 -1.45 4.26 0.15 1.61 -1.94 -1.26 -2.31 119.30 118.35 2dia s MET 79 Ca 0.00 1.92 0.05 0.00 -1.71 0.00 0.00 55.69 55.94 2dia s MET 79 Cb 0.00 -3.69 -0.04 0.00 2.01 0.00 0.00 34.83 33.11 2dia s MET 79 CO 0.00 -0.64 0.12 0.71 -0.01 0.00 0.00 175.02 175.20 2dia s TYR 80 N 2.91 3.14 -0.48 -0.03 2.02 -1.05 -1.11 117.35 122.76 2dia s TYR 80 Ca 0.63 -0.00 0.03 0.00 -0.37 0.00 0.00 57.07 57.35 2dia s TYR 80 Cb -0.29 -1.53 0.12 0.00 -0.40 0.00 0.00 41.96 39.86 2dia s TYR 80 CO 0.24 0.52 0.22 0.99 -1.57 0.00 0.00 175.55 175.95 2dia s THR 81 N -1.67 2.67 -0.06 -0.71 2.01 0.58 -2.41 115.64 116.06 2dia s THR 81 Ca 0.30 -2.95 -0.30 0.00 0.31 0.00 0.00 61.69 59.06 2dia s THR 81 Cb -0.10 -2.87 -0.04 0.00 0.01 0.00 0.00 72.50 69.50 2dia s THR 81 CO 0.23 -0.75 1.42 -0.76 -0.69 0.00 0.00 174.62 174.07 2dia s LEU 82 N 0.14 4.28 -0.28 4.42 1.43 -1.16 -3.41 118.68 124.10 2dia s LEU 82 Ca 0.15 2.02 0.03 0.00 -1.03 0.00 0.00 54.13 55.30 2dia s LEU 82 Cb -0.23 -3.55 0.07 0.00 0.03 0.00 0.00 46.19 42.51 2dia s LEU 82 CO -0.03 -0.77 -0.05 -0.89 0.23 0.00 0.00 176.35 174.84 2dia s THR 83 N 3.07 2.00 -0.05 5.49 2.01 0.15 -1.97 115.64 126.34 2dia s THR 83 Ca 0.64 -1.72 0.02 0.00 0.31 0.00 0.00 61.69 60.93 2dia s THR 83 Cb -0.29 -2.25 -0.03 0.00 0.01 0.00 0.00 72.50 69.94 2dia s THR 83 CO 0.24 -0.22 -0.08 -0.32 -0.69 0.00 0.00 174.62 173.55 2dia s MET 84 N 1.14 2.67 -0.05 4.92 0.00 -1.26 0.53 119.30 127.24 2dia s MET 84 Ca -0.02 -0.61 -0.02 0.00 0.00 0.00 0.00 55.69 55.04 2dia s MET 84 Cb -0.19 -2.54 0.04 0.00 0.00 0.00 0.00 34.83 32.13 2dia s MET 84 CO -0.07 0.65 0.09 0.15 0.00 0.00 0.00 175.02 175.83 2dia s LYS 85 N -0.94 -0.05 -0.21 4.11 1.02 -0.48 -3.47 119.74 119.73 2dia s LYS 85 Ca 0.13 0.41 -0.12 0.00 0.02 0.00 0.00 55.97 56.42 2dia s LYS 85 Cb -0.11 -0.49 -0.05 0.00 -0.52 0.00 0.00 37.83 36.66 2dia s LYS 85 CO 0.03 -0.34 0.22 -0.47 -0.92 0.00 0.00 175.35 173.87 2dia s TYR 86 N 2.20 3.38 -0.84 3.18 5.04 0.21 -2.71 117.35 127.81 2dia s TYR 86 Ca 0.04 0.39 0.00 0.00 -2.44 0.00 0.00 57.07 55.07 2dia s TYR 86 Cb -0.12 -2.29 0.00 0.00 0.35 0.00 0.00 41.96 39.90 2dia s TYR 86 CO -0.04 0.15 0.00 0.41 -1.34 0.00 0.00 175.55 174.73 2dia n GLY 87 N 3.83 0.75 0.22 8.97 0.00 0.11 0.06 105.19 119.13 2dia n GLY 87 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 0.20 0.93 2.99 -0.02 0.00 -1.26 -4.86 105.19 103.17 2dia n GLY 88 Ca -0.08 -0.11 -0.18 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.30 0.69 0.47 1.61 0.41 0.11 -5.09 118.70 116.60 2dia s GLU 89 Ca 0.00 -0.27 -0.24 0.00 -0.41 0.00 0.00 54.97 54.06 2dia s GLU 89 Cb 0.00 -0.67 -0.07 0.00 -1.78 0.00 0.00 34.13 31.61 2dia s GLU 89 CO 0.00 0.14 1.27 -0.51 -0.49 0.00 0.00 175.26 175.67 2dia s LEU 90 N -0.03 4.04 0.32 1.80 1.43 -1.26 0.66 118.68 125.63 2dia s LEU 90 Ca 0.01 2.56 0.02 0.00 -1.03 0.00 0.00 54.13 55.69 2dia s LEU 90 Cb -0.05 -4.13 -0.03 0.00 0.03 0.00 0.00 46.19 42.01 2dia s LEU 90 CO -0.00 -1.08 0.50 0.68 0.23 0.00 0.00 176.35 176.68 2dia s VAL 91 N -1.38 5.04 -2.00 -1.59 -7.23 -1.23 -4.77 120.40 107.25 2dia s VAL 91 Ca 0.64 -0.63 0.10 0.00 -1.81 0.00 0.00 61.98 60.27 2dia s VAL 91 Cb -0.35 -3.82 0.28 0.00 0.56 0.00 0.00 36.38 33.05 2dia s VAL 91 CO 0.43 -0.47 1.03 -0.81 -0.31 0.00 0.00 175.10 174.98 2dia n PRO 92 N -1.69 0.49 -0.05 4.82 -0.04 -1.26 -1.74 135.00 135.53 2dia n PRO 92 Ca -0.05 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.43 2dia n PRO 92 Cb 0.57 -1.32 0.05 0.00 -0.04 0.00 0.00 33.50 32.76 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 0.13 -3.81 0.54 8.25 -1.26 -5.02 115.22 113.24 2dia n HIS 93 Ca 0.07 -0.32 -0.12 0.00 -0.26 0.00 0.00 57.72 57.09 2dia n HIS 93 Cb 0.03 -0.03 -0.09 0.00 1.12 0.00 0.00 29.99 31.03 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 -0.79 -0.05 0.63 4.41 0.40 -0.71 -4.06 117.98 117.80 2dia s PHE 94 Ca 0.09 -0.03 -0.16 0.00 -0.60 0.00 0.00 56.93 56.23 2dia s PHE 94 Cb 0.05 0.03 -0.01 0.00 0.51 0.00 0.00 43.02 43.59 2dia s PHE 94 CO 0.07 -0.40 1.11 -1.25 0.70 0.00 0.00 175.22 175.45 2dia s PRO 95 N -1.91 2.94 -0.19 0.24 0.04 -1.26 -4.34 135.00 130.52 2dia s PRO 95 Ca -0.10 1.44 -0.04 0.00 0.04 0.00 0.00 61.00 62.34 2dia s PRO 95 Cb -0.04 -1.96 0.06 0.00 0.04 0.00 0.00 34.50 32.60 2dia s PRO 95 CO 0.00 -1.15 0.07 0.00 0.04 0.00 0.00 177.00 175.96 2dia s ALA 96 N -2.20 0.67 0.40 8.56 0.00 -0.83 -4.98 121.76 123.38 2dia s ALA 96 Ca 0.68 -0.51 -0.25 0.00 0.00 0.00 0.00 51.96 51.88 2dia s ALA 96 Cb -0.21 -1.11 -0.08 0.00 0.00 0.00 0.00 23.12 21.71 2dia s ALA 96 CO 0.38 -1.20 1.15 -0.98 0.00 0.00 0.00 175.76 175.10 2dia s ARG 97 N 2.02 4.08 -0.14 0.00 1.04 -1.26 -2.99 118.95 121.71 2dia s ARG 97 Ca 0.01 1.79 -0.05 0.00 -1.04 0.00 0.00 55.73 56.44 2dia s ARG 97 Cb -0.16 -2.67 0.07 0.00 -2.04 0.00 0.00 34.95 30.15 2dia s ARG 97 CO -0.10 -0.28 0.27 0.08 -0.04 0.00 0.00 175.30 175.22 2dia s VAL 98 N -1.44 -0.42 -0.02 4.99 1.01 -1.01 -4.96 120.40 118.55 2dia s VAL 98 Ca 0.57 0.26 -0.30 0.00 0.00 0.00 0.00 61.98 62.50 2dia s VAL 98 Cb -0.29 -0.46 -0.06 0.00 0.00 0.00 0.00 36.38 35.57 2dia s VAL 98 CO 0.37 0.10 1.51 -0.75 0.00 0.00 0.00 175.10 176.32 2dia s LYS 99 N 2.42 4.23 -0.19 2.72 2.20 -1.26 -2.52 119.74 127.35 2dia s LYS 99 Ca 0.02 2.07 -0.07 0.00 -0.36 0.00 0.00 55.97 57.63 2dia s LYS 99 Cb -0.12 -3.71 -0.04 0.00 -1.51 0.00 0.00 37.83 32.45 2dia s LYS 99 CO -0.09 -0.69 0.05 0.08 -0.36 0.00 0.00 175.35 174.33 2dia s VAL 100 N 3.01 4.58 0.34 4.02 1.01 -0.98 -3.28 120.40 129.09 2dia s VAL 100 Ca 0.68 -0.11 -0.06 0.00 0.00 0.00 0.00 61.98 62.49 2dia s VAL 100 Cb -0.33 -3.06 -0.05 0.00 0.00 0.00 0.00 36.38 32.94 2dia s VAL 100 CO 0.27 0.45 0.62 -1.61 0.00 0.00 0.00 175.10 174.83 2dia s GLU 101 N 0.53 3.64 0.92 2.72 0.41 -0.45 -2.14 118.70 124.34 2dia s GLU 101 Ca 0.02 0.10 -0.12 0.00 -0.41 0.00 0.00 54.97 54.56 2dia s GLU 101 Cb -0.13 -2.57 0.14 0.00 -1.78 0.00 0.00 34.13 29.80 2dia s GLU 101 CO 0.01 0.11 1.09 -1.25 -0.49 0.00 0.00 175.26 174.74 2dia s PRO 102 N -3.79 1.04 -0.20 0.39 0.04 -1.26 -1.18 135.00 130.04 2dia s PRO 102 Ca 0.45 0.75 -0.01 0.00 0.04 0.00 0.00 61.00 62.23 2dia s PRO 102 Cb -0.10 -1.79 0.10 0.00 0.04 0.00 0.00 34.50 32.75 2dia s PRO 102 CO 0.32 -2.37 2.17 0.00 0.04 0.00 0.00 177.00 177.16 2dia n ALA 103 N -3.96 4.92 0.68 8.56 0.00 -1.26 -4.42 120.51 125.03 2dia n ALA 103 Ca 0.07 -1.22 0.07 0.00 0.00 0.00 0.00 53.44 52.36 2dia n ALA 103 Cb 0.56 -1.36 0.37 0.00 0.00 0.00 0.00 19.45 19.01 2dia n ALA 103 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2dia n VAL 104 N 0.90 0.61 -4.06 0.00 0.24 -1.26 -4.67 118.33 110.09 2dia n VAL 104 Ca 0.22 0.15 -0.36 0.00 -2.04 0.00 0.00 64.34 62.31 2dia n VAL 104 Cb 0.57 -0.91 -0.07 0.00 -1.47 0.00 0.00 33.84 31.96 2dia n VAL 104 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2dia s ASP 105 N -2.59 5.95 0.24 -1.34 1.11 -1.26 -5.05 116.67 113.73 2dia s ASP 105 Ca 0.14 0.34 -0.24 0.00 0.18 0.00 0.00 52.55 52.97 2dia s ASP 105 Cb 0.10 -1.85 -0.15 0.00 1.07 0.00 0.00 42.92 42.08 2dia s ASP 105 CO 0.23 0.39 0.37 1.07 1.18 0.00 0.00 175.17 178.40 2dia n THR 106 N 2.08 1.49 -0.01 -1.27 5.66 -1.26 -4.92 114.28 116.05 2dia n THR 106 Ca -0.19 -0.46 -0.02 0.00 -3.05 0.00 0.00 64.05 60.32 2dia n THR 106 Cb 0.54 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 69.31 2dia n THR 106 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2dia n SER 107 N 1.92 1.26 -3.98 1.09 7.64 -1.26 -4.99 113.62 115.30 2dia n SER 107 Ca 0.15 0.02 -0.31 0.00 1.01 0.00 0.00 58.87 59.74 2dia n SER 107 Cb 0.27 -0.06 -0.15 0.00 -1.01 0.00 0.00 64.21 63.25 2dia n SER 107 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dia s SER 108 N -4.94 4.05 0.00 6.43 1.04 -1.26 -4.80 113.70 114.22 2dia s SER 108 Ca -0.03 -1.27 0.00 0.00 0.48 0.00 0.00 55.95 55.13 2dia s SER 108 Cb 0.01 -1.29 0.00 0.00 0.10 0.00 0.00 66.02 64.84 2dia s SER 108 CO 0.05 -0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.65 2dia n GLY 109 N 4.59 0.08 3.56 7.32 0.00 -1.24 -4.85 105.19 114.64 2dia n GLY 109 Ca -0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.62 2dia n GLY 109 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dia s PRO 110 N 1.02 2.56 -1.13 1.61 0.04 -1.26 -4.13 135.00 133.72 2dia s PRO 110 Ca 0.00 -0.21 -0.04 0.00 0.04 0.00 0.00 61.00 60.78 2dia s PRO 110 Cb 0.00 -5.01 0.04 0.00 0.04 0.00 0.00 34.50 29.58 2dia s PRO 110 CO 0.00 -3.32 0.11 0.45 0.04 0.00 0.00 177.00 174.28 2dia n SER 111 N 13.85 0.14 -4.07 6.66 2.88 -1.26 -4.88 113.62 126.94 2dia n SER 111 Ca 0.38 -0.87 -0.25 0.00 -1.33 0.00 0.00 58.87 56.80 2dia n SER 111 Cb 0.47 -1.09 -0.16 0.00 -0.75 0.00 0.00 64.21 62.68 2dia n SER 111 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dia s SER 112 N -3.58 1.88 0.00 -3.46 0.15 -1.26 -5.20 113.70 102.24 2dia s SER 112 Ca 0.16 -0.31 0.00 0.00 0.70 0.00 0.00 55.95 56.49 2dia s SER 112 Cb -0.09 -0.65 0.00 0.00 -1.71 0.00 0.00 66.02 63.57 2dia s SER 112 CO 0.69 0.10 0.00 0.61 1.20 0.00 0.00 173.24 175.84