#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 4.07 0.06 1.61 1.04 -1.26 -5.06 113.70 114.16 2dia s SER 2 Ca 0.00 2.04 -0.23 0.00 0.48 0.00 0.00 55.95 58.24 2dia s SER 2 Cb 0.00 -2.55 0.06 0.00 0.10 0.00 0.00 66.02 63.63 2dia s SER 2 CO 0.00 -2.33 0.54 -0.44 0.98 0.00 0.00 173.24 171.99 2dia s SER 3 N -2.86 -0.47 -0.05 7.02 0.01 -1.26 -5.16 113.70 110.93 2dia s SER 3 Ca 0.66 0.19 -0.01 0.00 1.31 0.00 0.00 55.95 58.09 2dia s SER 3 Cb -0.21 0.51 0.03 0.00 0.21 0.00 0.00 66.02 66.56 2dia s SER 3 CO 0.53 -0.75 0.03 -0.83 0.41 0.00 0.00 173.24 172.63 2dia s GLY 4 N -2.04 0.30 -0.27 3.44 0.00 -1.26 -5.02 107.32 102.47 2dia s GLY 4 Ca -0.05 0.08 0.09 0.00 0.00 0.00 0.00 44.72 44.84 2dia s GLY 4 CO -0.03 1.11 1.19 -1.14 0.00 0.00 0.00 173.10 174.24 2dia n SER 5 N 4.96 4.10 -4.57 1.64 3.41 -1.26 -5.04 113.62 116.85 2dia n SER 5 Ca -0.10 -3.71 -0.26 0.00 -0.26 0.00 0.00 58.87 54.54 2dia n SER 5 Cb 0.50 -0.38 -0.10 0.00 -0.26 0.00 0.00 64.21 63.97 2dia n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dia s SER 6 N -3.52 3.85 0.00 4.04 0.15 -1.26 -4.81 113.70 112.15 2dia s SER 6 Ca 0.47 -1.17 0.00 0.00 0.70 0.00 0.00 55.95 55.95 2dia s SER 6 Cb 0.40 -0.40 0.00 0.00 -1.71 0.00 0.00 66.02 64.31 2dia s SER 6 CO 0.01 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.82 2dia n GLY 7 N -0.85 0.25 3.77 9.45 0.00 -1.26 -5.00 105.19 111.54 2dia n GLY 7 Ca -0.05 -1.59 -0.39 0.00 0.00 0.00 0.00 46.02 43.99 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 -2.00 4.25 0.24 1.61 0.04 -1.26 -4.64 135.00 133.24 2dia s PRO 8 Ca 0.00 1.97 -0.30 0.00 0.04 0.00 0.00 61.00 62.71 2dia s PRO 8 Cb 0.00 -2.90 -0.09 0.00 0.04 0.00 0.00 34.50 31.55 2dia s PRO 8 CO 0.00 -0.19 1.21 0.12 0.04 0.00 0.00 177.00 178.17 2dia s PHE 9 N -1.27 3.38 -0.30 0.56 2.19 -1.26 -4.12 117.98 117.16 2dia s PHE 9 Ca 0.52 1.47 -0.05 0.00 0.33 0.00 0.00 56.93 59.20 2dia s PHE 9 Cb -0.34 -3.46 0.16 0.00 -1.31 0.00 0.00 43.02 38.07 2dia s PHE 9 CO 0.44 -1.23 0.63 -0.51 1.83 0.00 0.00 175.22 176.38 2dia s ASP 10 N -0.21 -1.26 0.30 6.13 1.01 -1.10 -4.95 116.67 116.58 2dia s ASP 10 Ca 0.50 1.17 0.08 0.00 0.71 0.00 0.00 52.55 55.02 2dia s ASP 10 Cb -0.34 2.21 0.45 0.00 1.01 0.00 0.00 42.92 46.25 2dia s ASP 10 CO 0.41 -0.24 1.69 1.55 0.21 0.00 0.00 175.17 178.78 2dia h PRO 11 N 7.99 0.15 -0.09 8.23 0.13 -1.84 -2.96 132.00 143.62 2dia h PRO 11 Ca -0.21 -0.08 0.03 0.00 -0.87 0.00 0.00 66.00 64.87 2dia h PRO 11 Cb 1.13 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 2dia h PRO 11 CO 0.18 0.60 0.07 0.77 -0.23 0.00 0.00 178.00 179.38 2dia h SER 12 N 0.12 0.00 0.69 1.44 0.02 -1.96 0.53 113.55 114.40 2dia h SER 12 Ca 0.01 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2dia h SER 12 Cb 0.88 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.42 2dia h SER 12 CO 0.07 0.00 -0.04 0.11 -1.14 0.00 0.00 176.83 175.83 2dia h LYS 13 N 0.00 0.00 -6.52 3.45 1.79 -1.85 -3.43 116.57 110.01 2dia h LYS 13 Ca 0.04 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.98 2dia h LYS 13 Cb 0.17 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.84 2dia h LYS 13 CO -0.00 0.04 0.65 0.08 -1.08 0.00 0.00 179.45 179.14 2dia s VAL 14 N -3.85 3.62 -0.25 0.50 1.01 0.18 -4.62 120.40 116.98 2dia s VAL 14 Ca -0.01 1.16 -0.01 0.00 0.00 0.00 0.00 61.98 63.13 2dia s VAL 14 Cb 0.11 -3.75 0.03 0.00 0.00 0.00 0.00 36.38 32.77 2dia s VAL 14 CO 0.53 0.09 -0.07 -0.69 0.00 0.00 0.00 175.10 174.96 2dia s VAL 15 N 1.05 2.75 0.02 2.92 1.01 -1.10 -4.78 120.40 122.27 2dia s VAL 15 Ca 0.62 -1.13 0.05 0.00 0.00 0.00 0.00 61.98 61.51 2dia s VAL 15 Cb -0.34 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.58 2dia s VAL 15 CO 0.30 0.16 -0.10 0.00 0.00 0.00 0.00 175.10 175.46 2dia s ALA 16 N 1.29 2.90 0.30 5.51 0.00 -1.26 -1.02 121.76 129.47 2dia s ALA 16 Ca -0.01 -1.08 -0.17 0.00 0.00 0.00 0.00 51.96 50.70 2dia s ALA 16 Cb -0.17 -1.01 0.06 0.00 0.00 0.00 0.00 23.12 22.00 2dia s ALA 16 CO -0.05 0.61 0.84 0.43 0.00 0.00 0.00 175.76 177.59 2dia n SER 17 N 1.47 -1.97 0.00 0.00 7.64 -0.93 -5.01 113.62 114.82 2dia n SER 17 Ca -0.15 -2.25 0.00 0.00 1.01 0.00 0.00 58.87 57.47 2dia n SER 17 Cb 0.52 3.26 0.00 0.00 -1.01 0.00 0.00 64.21 66.98 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 -0.58 2.39 0.20 0.23 0.00 -1.26 -1.68 105.19 104.48 2dia n GLY 18 Ca -0.06 -1.99 -0.04 0.00 0.00 0.00 0.00 46.02 43.93 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 0.35 -0.25 1.61 0.13 -1.92 -3.03 132.00 128.88 2dia h PRO 19 Ca 0.00 -0.18 0.07 0.00 -0.87 0.00 0.00 66.00 65.02 2dia h PRO 19 Cb 0.00 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 31.13 2dia h PRO 19 CO 0.00 0.73 0.20 0.78 -0.23 0.00 0.00 178.00 179.48 2dia h GLY 20 N 1.21 0.00 -0.09 1.56 0.00 -1.65 0.34 103.07 104.44 2dia h GLY 20 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 2dia h GLY 20 CO 0.08 0.00 -0.01 1.04 0.00 0.00 0.00 176.54 177.65 2dia n LEU 21 N -4.31 1.12 -0.05 3.11 4.77 -1.15 -3.81 117.00 116.69 2dia n LEU 21 Ca 0.03 -0.37 -0.06 0.00 -0.03 0.00 0.00 56.01 55.58 2dia n LEU 21 Cb 0.35 -0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.35 2dia n LEU 21 CO 0.34 0.19 -0.85 -0.62 -1.33 0.00 0.00 177.39 175.11 2dia n GLU 22 N -0.13 2.10 -3.63 3.23 1.02 0.99 -4.91 120.64 119.31 2dia n GLU 22 Ca 0.20 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.32 2dia n GLU 22 Cb 0.30 -1.27 -0.01 0.00 -0.02 0.00 0.00 31.44 30.44 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 -2.25 -0.13 0.16 -0.32 -3.43 -0.05 -4.76 115.29 104.51 2dia s HIS 23 Ca -0.06 -0.01 -0.10 0.00 -0.80 0.00 0.00 55.06 54.08 2dia s HIS 23 Cb 0.03 0.56 -0.00 0.00 -1.43 0.00 0.00 32.58 31.74 2dia s HIS 23 CO 0.42 -0.42 0.32 0.20 -2.00 0.00 0.00 174.74 173.26 2dia s GLY 24 N -2.70 0.36 -0.01 -1.38 0.00 -1.23 -4.10 107.32 98.27 2dia s GLY 24 Ca 0.11 -0.76 0.00 0.00 0.00 0.00 0.00 44.72 44.07 2dia s GLY 24 CO -0.03 -0.74 0.01 1.25 0.00 0.00 0.00 173.10 173.59 2dia s LYS 25 N -3.95 -0.01 -0.39 2.90 2.20 -1.26 -0.97 119.74 118.26 2dia s LYS 25 Ca 0.15 0.10 -0.32 0.00 -0.36 0.00 0.00 55.97 55.54 2dia s LYS 25 Cb 0.03 -0.15 -0.10 0.00 -1.51 0.00 0.00 37.83 36.09 2dia s LYS 25 CO -0.01 -0.09 2.27 0.28 -0.36 0.00 0.00 175.35 177.44 2dia n VAL 26 N 3.69 0.16 0.00 4.02 0.31 -0.84 -0.08 118.33 125.59 2dia n VAL 26 Ca -0.21 -0.36 0.00 0.00 -0.01 0.00 0.00 64.34 63.76 2dia n VAL 26 Cb 0.54 -1.91 0.00 0.00 -0.91 0.00 0.00 33.84 31.57 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 6.32 2.10 2.43 2.92 0.00 0.14 -4.35 105.19 114.76 2dia n GLY 27 Ca 0.40 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.17 -2.34 -4.04 1.61 -0.58 0.89 -4.88 120.64 111.13 2dia n GLU 28 Ca 0.00 -1.22 -0.29 0.00 -0.42 0.00 0.00 57.16 55.23 2dia n GLU 28 Cb 0.00 -1.11 -0.17 0.00 -0.57 0.00 0.00 31.44 29.60 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 -3.10 1.73 -0.80 0.62 0.00 -1.26 -4.21 121.76 114.74 2dia s ALA 29 Ca 0.49 -0.81 -0.26 0.00 0.00 0.00 0.00 51.96 51.38 2dia s ALA 29 Cb -0.04 -1.00 0.02 0.00 0.00 0.00 0.00 23.12 22.10 2dia s ALA 29 CO 0.37 -0.36 1.46 0.20 0.00 0.00 0.00 175.76 177.43 2dia s GLY 30 N 1.48 0.81 -0.02 0.00 0.00 -0.49 -4.86 107.32 104.24 2dia s GLY 30 Ca 0.04 -1.47 -0.30 0.00 0.00 0.00 0.00 44.72 42.99 2dia s GLY 30 CO -0.09 2.84 1.77 1.08 0.00 0.00 0.00 173.10 178.70 2dia s LEU 31 N 6.39 4.35 -0.03 0.66 1.43 -1.26 -3.50 118.68 126.72 2dia s LEU 31 Ca 0.45 2.39 0.02 0.00 -1.03 0.00 0.00 54.13 55.96 2dia s LEU 31 Cb -0.07 -3.53 0.01 0.00 0.03 0.00 0.00 46.19 42.63 2dia s LEU 31 CO 0.09 -0.98 -0.09 -0.76 0.23 0.00 0.00 176.35 174.84 2dia s LEU 32 N 4.23 1.71 -0.07 1.79 1.43 0.65 -2.63 118.68 125.78 2dia s LEU 32 Ca 0.79 -0.20 0.05 0.00 -1.03 0.00 0.00 54.13 53.74 2dia s LEU 32 Cb -0.37 -0.59 -0.00 0.00 0.03 0.00 0.00 46.19 45.26 2dia s LEU 32 CO 0.34 0.05 -0.22 -0.55 0.23 0.00 0.00 176.35 176.20 2dia s SER 33 N 0.36 2.76 -0.23 2.29 0.15 -0.68 -0.30 113.70 118.05 2dia s SER 33 Ca -0.06 -0.47 0.01 0.00 0.70 0.00 0.00 55.95 56.13 2dia s SER 33 Cb -0.11 -0.94 0.04 0.00 -1.71 0.00 0.00 66.02 63.30 2dia s SER 33 CO 0.01 0.18 -0.13 -0.69 1.20 0.00 0.00 173.24 173.82 2dia s VAL 34 N 0.09 2.34 -0.43 4.45 1.01 -0.48 -2.19 120.40 125.19 2dia s VAL 34 Ca -0.09 -1.21 -0.17 0.00 0.00 0.00 0.00 61.98 60.51 2dia s VAL 34 Cb -0.15 -2.18 0.03 0.00 0.00 0.00 0.00 36.38 34.08 2dia s VAL 34 CO 0.05 0.24 0.45 -1.81 0.00 0.00 0.00 175.10 174.02 2dia s ASP 35 N 1.23 6.19 -0.31 3.32 1.11 -0.19 -1.85 116.67 126.18 2dia s ASP 35 Ca -0.01 -0.75 -0.10 0.00 0.18 0.00 0.00 52.55 51.87 2dia s ASP 35 Cb -0.17 -2.23 -0.01 0.00 1.07 0.00 0.00 42.92 41.59 2dia s ASP 35 CO -0.08 -0.61 0.16 0.00 1.18 0.00 0.00 175.17 175.82 2dia n SER 37 N 5.00 1.26 -0.47 0.00 7.64 -1.26 -4.83 113.62 120.95 2dia n SER 37 Ca -0.14 0.18 0.07 0.00 1.01 0.00 0.00 58.87 59.99 2dia n SER 37 Cb 0.50 -0.43 0.17 0.00 -1.01 0.00 0.00 64.21 63.44 2dia n SER 37 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2dia n GLU 38 N -3.72 1.38 0.00 1.43 -0.58 -1.26 -4.70 120.64 113.18 2dia n GLU 38 Ca -0.05 -2.96 0.10 0.00 -0.42 0.00 0.00 57.16 53.83 2dia n GLU 38 Cb 0.20 -1.48 0.57 0.00 -0.57 0.00 0.00 31.44 30.17 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 -1.12 2.19 -0.98 0.62 0.00 -1.26 -4.34 120.51 115.62 2dia n ALA 39 Ca 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2dia n ALA 39 Cb 0.70 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 0.37 0.98 0.00 0.00 0.00 -1.26 -2.72 105.19 102.56 2dia n GLY 40 Ca 0.13 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.93 0.00 1.61 -0.04 -1.26 -4.93 135.00 129.44 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 2.45 1.51 3.92 0.55 0.00 -1.26 -4.81 105.19 107.55 2dia n GLY 42 Ca 0.00 -1.66 -0.31 0.00 0.00 0.00 0.00 46.02 44.05 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 -2.12 3.99 0.02 4.61 0.00 -1.26 -4.69 121.76 122.31 2dia s ALA 43 Ca 0.00 -0.82 -0.13 0.00 0.00 0.00 0.00 51.96 51.01 2dia s ALA 43 Cb 0.00 -1.85 -0.06 0.00 0.00 0.00 0.00 23.12 21.21 2dia s ALA 43 CO 0.00 0.81 0.39 -1.17 0.00 0.00 0.00 175.76 175.79 2dia s LEU 44 N -2.54 4.43 -0.18 0.00 2.96 -1.26 -0.70 118.68 121.39 2dia s LEU 44 Ca 0.35 0.89 -0.10 0.00 -0.22 0.00 0.00 54.13 55.06 2dia s LEU 44 Cb -0.13 -2.67 0.06 0.00 0.50 0.00 0.00 46.19 43.95 2dia s LEU 44 CO 0.28 0.29 0.43 -0.83 -1.32 0.00 0.00 176.35 175.19 2dia s GLY 45 N -1.27 -0.35 0.16 7.98 0.00 -1.01 -5.00 107.32 107.82 2dia s GLY 45 Ca 0.26 1.59 0.09 0.00 0.00 0.00 0.00 44.72 46.66 2dia s GLY 45 CO 0.14 1.78 -0.14 -2.27 0.00 0.00 0.00 173.10 172.61 2dia s LEU 46 N 1.50 2.83 -0.23 0.66 2.96 -1.26 -0.90 118.68 124.24 2dia s LEU 46 Ca -0.09 -0.59 -0.04 0.00 -0.22 0.00 0.00 54.13 53.19 2dia s LEU 46 Cb -0.08 -1.58 0.09 0.00 0.50 0.00 0.00 46.19 45.11 2dia s LEU 46 CO -0.13 0.13 0.14 -0.70 -1.32 0.00 0.00 176.35 174.47 2dia s GLU 47 N -2.56 0.15 -0.21 1.98 2.12 0.14 -4.97 118.70 115.35 2dia s GLU 47 Ca 0.22 -0.20 -0.11 0.00 0.36 0.00 0.00 54.97 55.24 2dia s GLU 47 Cb -0.09 -1.41 -0.05 0.00 0.26 0.00 0.00 34.13 32.84 2dia s GLU 47 CO 0.13 -0.82 0.19 0.00 -0.54 0.00 0.00 175.26 174.22 2dia s ALA 48 N 2.17 3.63 -0.02 6.30 0.00 -1.26 -1.55 121.76 131.04 2dia s ALA 48 Ca 0.06 -0.72 -0.08 0.00 0.00 0.00 0.00 51.96 51.22 2dia s ALA 48 Cb -0.16 -2.30 0.01 0.00 0.00 0.00 0.00 23.12 20.67 2dia s ALA 48 CO -0.21 -0.03 0.17 0.08 0.00 0.00 0.00 175.76 175.77 2dia s VAL 49 N 0.74 0.06 0.42 0.00 1.01 -1.16 -0.04 120.40 121.43 2dia s VAL 49 Ca 0.10 -0.50 -0.05 0.00 0.00 0.00 0.00 61.98 61.53 2dia s VAL 49 Cb -0.13 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 2dia s VAL 49 CO 0.02 -0.27 0.72 -0.55 0.00 0.00 0.00 175.10 175.02 2dia s SER 50 N -1.02 6.34 0.44 3.32 0.15 -0.29 -0.48 113.70 122.17 2dia s SER 50 Ca -0.11 0.87 0.19 0.00 0.70 0.00 0.00 55.95 57.60 2dia s SER 50 Cb -0.06 -2.22 1.05 0.00 -1.71 0.00 0.00 66.02 63.08 2dia s SER 50 CO 0.02 -0.45 1.53 -2.24 1.20 0.00 0.00 173.24 173.29 2dia h ASP 51 N 0.68 0.00 -0.59 5.45 3.04 -1.85 0.46 116.42 123.62 2dia h ASP 51 Ca -0.47 0.00 -0.18 0.00 -3.24 0.00 0.00 57.03 53.14 2dia h ASP 51 Cb 1.20 0.00 -0.11 0.00 -1.04 0.00 0.00 39.33 39.39 2dia h ASP 51 CO 0.63 0.00 0.23 -0.24 -2.04 0.00 0.00 179.24 177.81 2dia n SER 52 N -2.35 4.19 -3.63 4.15 2.88 -1.26 -4.90 113.62 112.69 2dia n SER 52 Ca -0.01 -2.95 -0.21 0.00 -1.33 0.00 0.00 58.87 54.37 2dia n SER 52 Cb 0.33 -0.70 0.05 0.00 -0.75 0.00 0.00 64.21 63.14 2dia n SER 52 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dia n GLY 53 N -0.07 -0.33 2.91 0.46 0.00 0.16 -4.98 105.19 103.34 2dia n GLY 53 Ca 0.33 0.13 -0.31 0.00 0.00 0.00 0.00 46.02 46.17 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 -3.54 1.70 0.37 2.61 2.01 -1.19 -4.89 115.64 112.70 2dia s THR 54 Ca 0.06 -1.91 -0.27 0.00 0.31 0.00 0.00 61.69 59.89 2dia s THR 54 Cb -0.03 -2.24 -0.09 0.00 0.01 0.00 0.00 72.50 70.15 2dia s THR 54 CO 0.79 -0.59 1.23 -1.59 -0.69 0.00 0.00 174.62 173.77 2dia s LYS 55 N 1.21 4.20 0.47 4.92 0.00 -1.26 -1.14 119.74 128.13 2dia s LYS 55 Ca 0.09 2.01 0.08 0.00 0.00 0.00 0.00 55.97 58.15 2dia s LYS 55 Cb -0.18 -2.87 0.03 0.00 0.00 0.00 0.00 37.83 34.81 2dia s LYS 55 CO -0.14 -0.25 0.65 0.00 0.00 0.00 0.00 175.35 175.60 2dia s ALA 56 N -1.27 4.55 -0.38 0.59 0.00 0.95 -4.94 121.76 121.26 2dia s ALA 56 Ca 0.53 -1.80 -0.26 0.00 0.00 0.00 0.00 51.96 50.43 2dia s ALA 56 Cb -0.35 -1.60 0.02 0.00 0.00 0.00 0.00 23.12 21.19 2dia s ALA 56 CO 0.45 -0.48 0.95 -2.00 0.00 0.00 0.00 175.76 174.68 2dia s GLU 57 N -4.47 3.81 0.12 0.00 2.12 -1.25 -4.74 118.70 114.30 2dia s GLU 57 Ca 0.57 0.55 0.08 0.00 0.36 0.00 0.00 54.97 56.53 2dia s GLU 57 Cb -0.09 -3.82 -0.04 0.00 0.26 0.00 0.00 34.13 30.44 2dia s GLU 57 CO 0.35 -1.00 -0.11 0.08 -0.54 0.00 0.00 175.26 174.04 2dia s VAL 58 N 3.58 3.30 -0.05 3.70 1.01 -1.26 -2.23 120.40 128.43 2dia s VAL 58 Ca 0.39 -1.35 -0.05 0.00 0.00 0.00 0.00 61.98 60.96 2dia s VAL 58 Cb -0.11 -2.56 0.01 0.00 0.00 0.00 0.00 36.38 33.72 2dia s VAL 58 CO 0.20 0.07 0.15 -0.55 0.00 0.00 0.00 175.10 174.97 2dia s SER 59 N -2.31 -0.15 -0.09 3.32 0.15 -0.92 -4.99 113.70 108.70 2dia s SER 59 Ca 0.22 0.29 0.04 0.00 0.70 0.00 0.00 55.95 57.20 2dia s SER 59 Cb -0.11 0.30 -0.01 0.00 -1.71 0.00 0.00 66.02 64.49 2dia s SER 59 CO 0.14 -0.05 -0.21 -0.63 1.20 0.00 0.00 173.24 173.68 2dia s ILE 60 N 0.09 2.35 -0.09 6.45 1.01 -1.26 -2.21 121.20 127.54 2dia s ILE 60 Ca -0.00 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.72 2dia s ILE 60 Cb -0.01 -1.91 0.02 0.00 0.01 0.00 0.00 42.46 40.57 2dia s ILE 60 CO 0.00 0.56 -0.08 -1.58 0.00 0.00 0.00 174.94 173.84 2dia s GLN 61 N 0.13 1.47 0.61 2.79 0.74 -1.10 -4.96 119.66 119.33 2dia s GLN 61 Ca -0.11 -0.27 -0.14 0.00 0.05 0.00 0.00 55.36 54.89 2dia s GLN 61 Cb -0.16 -1.43 -0.03 0.00 1.10 0.00 0.00 33.01 32.48 2dia s GLN 61 CO 0.06 -0.17 1.04 1.21 -0.55 0.00 0.00 175.29 176.89 2dia s ASN 62 N 1.35 5.87 0.04 6.67 3.84 -1.26 -0.45 114.94 130.99 2dia s ASN 62 Ca -0.02 1.70 0.02 0.00 0.21 0.00 0.00 52.86 54.77 2dia s ASN 62 Cb -0.14 -2.52 -0.02 0.00 -0.55 0.00 0.00 41.25 38.02 2dia s ASN 62 CO -0.04 -1.11 -0.08 0.20 -2.79 0.00 0.00 177.10 173.28 2dia s ASN 63 N -3.17 0.87 0.58 -4.21 0.01 -0.10 -4.88 114.94 104.03 2dia s ASN 63 Ca 0.61 -0.56 0.30 0.00 -0.71 0.00 0.00 52.86 52.50 2dia s ASN 63 Cb -0.14 0.04 1.65 0.00 0.41 0.00 0.00 41.25 43.21 2dia s ASN 63 CO 0.41 -0.21 1.91 0.11 -1.51 0.00 0.00 177.10 177.82 2dia h LYS 64 N 4.47 0.00 -0.95 -0.60 1.79 -1.98 0.76 116.57 120.05 2dia h LYS 64 Ca -0.36 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 57.91 2dia h LYS 64 Cb 1.20 0.00 -0.12 0.00 -1.58 0.00 0.00 32.23 31.73 2dia h LYS 64 CO 0.41 0.00 0.25 -0.25 -1.08 0.00 0.00 179.45 178.78 2dia n ASP 65 N -2.74 3.36 -0.82 0.86 9.92 -1.26 -4.83 116.55 121.04 2dia n ASP 65 Ca -0.02 -2.72 -0.08 0.00 -0.53 0.00 0.00 54.79 51.44 2dia n ASP 65 Cb 0.25 -0.65 -0.03 0.00 -0.64 0.00 0.00 41.12 40.05 2dia n ASP 65 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dia n GLY 66 N -0.17 0.75 3.93 0.44 0.00 0.26 -4.82 105.19 105.57 2dia n GLY 66 Ca 0.26 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.52 4.54 -0.09 2.61 -4.23 -1.23 -3.82 115.64 111.90 2dia s THR 67 Ca 0.00 -1.12 0.03 0.00 -1.18 0.00 0.00 61.69 59.41 2dia s THR 67 Cb 0.00 -3.55 0.01 0.00 1.34 0.00 0.00 72.50 70.29 2dia s THR 67 CO 0.00 -0.26 -0.17 -0.31 -0.54 0.00 0.00 174.62 173.33 2dia s TYR 68 N -2.11 1.99 -0.72 3.99 1.51 -0.77 -0.92 117.35 120.32 2dia s TYR 68 Ca 0.38 -0.82 -0.17 0.00 -1.01 0.00 0.00 57.07 55.45 2dia s TYR 68 Cb -0.08 -1.39 0.15 0.00 -0.11 0.00 0.00 41.96 40.52 2dia s TYR 68 CO 0.28 -0.37 0.76 0.00 -1.11 0.00 0.00 175.55 175.11 2dia s ALA 69 N 0.60 3.66 0.10 3.71 0.00 0.40 -1.38 121.76 128.85 2dia s ALA 69 Ca -0.15 -2.72 -0.15 0.00 0.00 0.00 0.00 51.96 48.94 2dia s ALA 69 Cb -0.16 -3.57 -0.07 0.00 0.00 0.00 0.00 23.12 19.32 2dia s ALA 69 CO 0.05 -2.38 0.52 0.08 0.00 0.00 0.00 175.76 174.03 2dia s VAL 70 N 1.69 4.87 0.02 0.00 1.01 0.59 -2.71 120.40 125.87 2dia s VAL 70 Ca 0.16 0.89 -0.04 0.00 0.00 0.00 0.00 61.98 62.99 2dia s VAL 70 Cb -0.17 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.43 2dia s VAL 70 CO -0.02 0.37 0.06 -0.89 0.00 0.00 0.00 175.10 174.62 2dia s THR 71 N -1.32 0.11 -0.07 3.92 2.01 -0.94 -0.26 115.64 119.10 2dia s THR 71 Ca 0.33 -0.93 -0.03 0.00 0.31 0.00 0.00 61.69 61.37 2dia s THR 71 Cb -0.16 -0.54 0.04 0.00 0.01 0.00 0.00 72.50 71.84 2dia s THR 71 CO 0.18 -0.51 0.15 -0.72 -0.69 0.00 0.00 174.62 173.03 2dia s TYR 72 N -1.85 -0.17 -0.41 4.92 -0.85 -1.23 -2.18 117.35 115.59 2dia s TYR 72 Ca -0.12 0.49 -0.04 0.00 -0.52 0.00 0.00 57.07 56.88 2dia s TYR 72 Cb -0.06 -0.07 0.10 0.00 0.38 0.00 0.00 41.96 42.31 2dia s TYR 72 CO -0.01 -0.17 0.21 0.08 -1.52 0.00 0.00 175.55 174.14 2dia s VAL 73 N 1.12 3.50 0.11 -3.49 1.01 -0.95 -1.40 120.40 120.30 2dia s VAL 73 Ca -0.09 -1.85 -0.31 0.00 0.00 0.00 0.00 61.98 59.73 2dia s VAL 73 Cb -0.11 -3.31 -0.08 0.00 0.00 0.00 0.00 36.38 32.89 2dia s VAL 73 CO -0.06 -0.61 1.36 -2.16 0.00 0.00 0.00 175.10 173.64 2dia s PRO 74 N 1.22 4.33 -0.14 2.72 0.04 -1.26 -3.83 135.00 138.08 2dia s PRO 74 Ca 0.06 2.03 -0.25 0.00 0.04 0.00 0.00 61.00 62.88 2dia s PRO 74 Cb -0.23 -3.26 -0.25 0.00 0.04 0.00 0.00 34.50 30.80 2dia s PRO 74 CO -0.03 -0.41 0.61 -0.07 0.04 0.00 0.00 177.00 177.14 2dia h LEU 75 N 6.82 0.09 -8.80 -3.56 3.38 -1.94 0.43 115.31 111.74 2dia h LEU 75 Ca -0.42 -0.85 -0.68 0.00 0.09 0.00 0.00 57.88 56.02 2dia h LEU 75 Cb 1.21 -0.03 -0.25 0.00 0.09 0.00 0.00 40.66 41.68 2dia h LEU 75 CO 0.86 1.24 -0.77 0.28 0.09 0.00 0.00 178.44 180.13 2dia s THR 76 N -2.31 3.01 0.96 0.22 -1.32 -1.26 -4.69 115.64 110.25 2dia s THR 76 Ca -0.21 -0.72 -0.11 0.00 -1.21 0.00 0.00 61.69 59.44 2dia s THR 76 Cb 0.01 -2.20 0.17 0.00 -1.51 0.00 0.00 72.50 68.96 2dia s THR 76 CO 0.69 0.57 1.10 0.00 -2.21 0.00 0.00 174.62 174.77 2dia s ALA 77 N -0.37 1.06 0.00 11.08 0.00 -1.26 -4.92 121.76 127.34 2dia s ALA 77 Ca 0.04 0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.26 2dia s ALA 77 Cb -0.12 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.66 2dia s ALA 77 CO 0.02 -2.88 0.00 0.41 0.00 0.00 0.00 175.76 173.32 2dia n GLY 78 N -0.01 0.65 3.72 0.00 0.00 -1.04 -5.01 105.19 103.50 2dia n GLY 78 Ca 0.08 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.58 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 -1.03 4.57 0.22 1.61 -1.94 -1.26 -1.65 119.30 119.83 2dia s MET 79 Ca 0.00 1.51 0.10 0.00 -1.71 0.00 0.00 55.69 55.59 2dia s MET 79 Cb 0.00 -3.41 -0.04 0.00 2.01 0.00 0.00 34.83 33.39 2dia s MET 79 CO 0.00 -0.02 -0.08 0.71 -0.01 0.00 0.00 175.02 175.62 2dia s TYR 80 N 0.70 2.59 -0.32 -0.03 1.51 -1.10 -2.53 117.35 118.17 2dia s TYR 80 Ca 0.52 -0.24 0.02 0.00 -1.01 0.00 0.00 57.07 56.36 2dia s TYR 80 Cb -0.24 -1.21 0.10 0.00 -0.11 0.00 0.00 41.96 40.50 2dia s TYR 80 CO 0.29 0.58 0.05 0.99 -1.11 0.00 0.00 175.55 176.35 2dia s THR 81 N -2.03 1.84 -0.09 -0.71 2.01 0.37 -2.66 115.64 114.38 2dia s THR 81 Ca 0.28 -1.98 -0.28 0.00 0.31 0.00 0.00 61.69 60.02 2dia s THR 81 Cb -0.07 -2.33 -0.02 0.00 0.01 0.00 0.00 72.50 70.09 2dia s THR 81 CO 0.17 -0.56 0.93 -0.76 -0.69 0.00 0.00 174.62 173.71 2dia s LEU 82 N 1.14 4.27 -0.30 4.42 1.43 -1.19 -3.00 118.68 125.46 2dia s LEU 82 Ca 0.09 1.46 0.02 0.00 -1.03 0.00 0.00 54.13 54.66 2dia s LEU 82 Cb -0.19 -3.45 0.09 0.00 0.03 0.00 0.00 46.19 42.67 2dia s LEU 82 CO -0.12 -0.36 0.02 -0.89 0.23 0.00 0.00 176.35 175.23 2dia s THR 83 N 1.66 1.74 -0.23 5.49 2.01 -0.59 -2.32 115.64 123.40 2dia s THR 83 Ca 0.46 -1.75 -0.04 0.00 0.31 0.00 0.00 61.69 60.67 2dia s THR 83 Cb -0.19 -2.17 -0.01 0.00 0.01 0.00 0.00 72.50 70.15 2dia s THR 83 CO 0.19 -0.43 -0.02 -0.32 -0.69 0.00 0.00 174.62 173.35 2dia s MET 84 N 1.22 3.35 -0.15 4.92 0.00 -1.26 0.24 119.30 127.61 2dia s MET 84 Ca 0.04 -0.65 0.01 0.00 0.00 0.00 0.00 55.69 55.09 2dia s MET 84 Cb -0.19 -3.07 0.02 0.00 0.00 0.00 0.00 34.83 31.60 2dia s MET 84 CO -0.11 -0.23 -0.18 0.15 0.00 0.00 0.00 175.02 174.65 2dia s LYS 85 N 1.48 2.70 -0.41 4.11 1.02 -0.08 -2.55 119.74 126.01 2dia s LYS 85 Ca 0.05 -0.72 -0.15 0.00 0.02 0.00 0.00 55.97 55.17 2dia s LYS 85 Cb -0.15 -2.32 0.02 0.00 -0.52 0.00 0.00 37.83 34.86 2dia s LYS 85 CO -0.02 -0.16 0.31 -0.47 -0.92 0.00 0.00 175.35 174.09 2dia s TYR 86 N 1.22 3.23 -1.04 3.18 6.14 0.30 -2.39 117.35 127.99 2dia s TYR 86 Ca 0.01 -0.56 0.00 0.00 0.64 0.00 0.00 57.07 57.16 2dia s TYR 86 Cb -0.14 -2.61 0.00 0.00 0.42 0.00 0.00 41.96 39.63 2dia s TYR 86 CO -0.09 -0.59 0.00 0.41 0.64 0.00 0.00 175.55 175.92 2dia n GLY 87 N 5.15 0.36 1.00 8.97 0.00 0.12 -2.32 105.19 118.48 2dia n GLY 87 Ca -0.11 -0.45 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 -1.21 1.09 3.59 -0.02 0.00 -1.26 -4.92 105.19 102.46 2dia n GLY 88 Ca -0.13 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.67 3.17 0.64 1.61 2.02 -0.98 -5.03 118.70 119.45 2dia s GLU 89 Ca 0.00 -0.49 -0.16 0.00 0.02 0.00 0.00 54.97 54.34 2dia s GLU 89 Cb 0.00 -2.78 -0.01 0.00 0.10 0.00 0.00 34.13 31.44 2dia s GLU 89 CO 0.00 0.53 1.12 -0.51 0.02 0.00 0.00 175.26 176.42 2dia s LEU 90 N -0.41 3.47 0.34 1.80 1.43 -1.26 0.11 118.68 124.15 2dia s LEU 90 Ca 0.07 2.06 0.02 0.00 -1.03 0.00 0.00 54.13 55.25 2dia s LEU 90 Cb -0.12 -4.56 -0.03 0.00 0.03 0.00 0.00 46.19 41.51 2dia s LEU 90 CO 0.02 -1.57 0.51 0.68 0.23 0.00 0.00 176.35 176.23 2dia s VAL 91 N -2.19 4.88 -2.00 -1.59 -7.23 -1.06 -4.73 120.40 106.49 2dia s VAL 91 Ca 0.69 -0.65 0.09 0.00 -1.81 0.00 0.00 61.98 60.30 2dia s VAL 91 Cb -0.22 -3.76 0.25 0.00 0.56 0.00 0.00 36.38 33.21 2dia s VAL 91 CO 0.38 -0.43 0.97 -0.81 -0.31 0.00 0.00 175.10 174.90 2dia n PRO 92 N -1.73 0.49 -0.04 4.82 -0.04 -1.26 -1.75 135.00 135.49 2dia n PRO 92 Ca -0.04 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.43 2dia n PRO 92 Cb 0.57 -1.28 0.04 0.00 -0.04 0.00 0.00 33.50 32.79 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 -0.78 0.11 -3.80 0.54 8.25 -1.26 -5.02 115.22 113.26 2dia n HIS 93 Ca 0.07 -0.42 -0.12 0.00 -0.26 0.00 0.00 57.72 56.99 2dia n HIS 93 Cb 0.03 -0.04 -0.08 0.00 1.12 0.00 0.00 29.99 31.02 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 -0.88 -0.07 0.66 4.41 0.40 -0.71 -4.11 117.98 117.68 2dia s PHE 94 Ca 0.06 -0.01 -0.15 0.00 -0.60 0.00 0.00 56.93 56.23 2dia s PHE 94 Cb 0.03 0.04 0.00 0.00 0.51 0.00 0.00 43.02 43.61 2dia s PHE 94 CO 0.04 -0.42 1.11 -1.25 0.70 0.00 0.00 175.22 175.41 2dia s PRO 95 N -1.99 2.79 -0.18 0.24 0.04 -1.26 -4.38 135.00 130.26 2dia s PRO 95 Ca -0.09 1.38 -0.05 0.00 0.04 0.00 0.00 61.00 62.28 2dia s PRO 95 Cb -0.03 -1.95 0.07 0.00 0.04 0.00 0.00 34.50 32.62 2dia s PRO 95 CO -0.00 -1.26 0.11 0.00 0.04 0.00 0.00 177.00 175.89 2dia s ALA 96 N -2.35 0.34 0.42 8.56 0.00 -0.98 -4.98 121.76 122.77 2dia s ALA 96 Ca 0.67 -0.27 -0.24 0.00 0.00 0.00 0.00 51.96 52.12 2dia s ALA 96 Cb -0.20 -1.09 -0.08 0.00 0.00 0.00 0.00 23.12 21.74 2dia s ALA 96 CO 0.42 -1.20 1.14 -0.98 0.00 0.00 0.00 175.76 175.13 2dia s ARG 97 N 2.16 3.97 -0.09 0.00 1.04 -1.26 -3.18 118.95 121.60 2dia s ARG 97 Ca 0.03 1.73 -0.03 0.00 -1.04 0.00 0.00 55.73 56.41 2dia s ARG 97 Cb -0.16 -2.54 0.05 0.00 -2.04 0.00 0.00 34.95 30.26 2dia s ARG 97 CO -0.11 -0.36 0.17 0.08 -0.04 0.00 0.00 175.30 175.03 2dia s VAL 98 N -1.53 -0.25 -0.14 4.99 1.01 -1.09 -4.99 120.40 118.41 2dia s VAL 98 Ca 0.60 0.34 -0.29 0.00 0.00 0.00 0.00 61.98 62.62 2dia s VAL 98 Cb -0.28 -0.30 -0.03 0.00 0.00 0.00 0.00 36.38 35.77 2dia s VAL 98 CO 0.34 0.14 1.48 -0.75 0.00 0.00 0.00 175.10 176.31 2dia s LYS 99 N 2.21 4.13 -0.16 2.72 2.20 -1.26 -2.70 119.74 126.88 2dia s LYS 99 Ca 0.02 1.86 -0.08 0.00 -0.36 0.00 0.00 55.97 57.40 2dia s LYS 99 Cb -0.12 -3.90 -0.04 0.00 -1.51 0.00 0.00 37.83 32.25 2dia s LYS 99 CO -0.06 -0.87 0.12 0.08 -0.36 0.00 0.00 175.35 174.26 2dia s VAL 100 N 4.02 5.36 0.24 4.02 1.01 -0.66 -3.49 120.40 130.91 2dia s VAL 100 Ca 0.65 0.16 -0.03 0.00 0.00 0.00 0.00 61.98 62.76 2dia s VAL 100 Cb -0.27 -3.39 -0.05 0.00 0.00 0.00 0.00 36.38 32.67 2dia s VAL 100 CO 0.23 0.52 0.48 -1.61 0.00 0.00 0.00 175.10 174.72 2dia s GLU 101 N -0.24 3.60 0.57 2.72 2.02 -0.14 -2.48 118.70 124.73 2dia s GLU 101 Ca 0.11 -0.12 -0.18 0.00 0.02 0.00 0.00 54.97 54.79 2dia s GLU 101 Cb -0.12 -2.73 -0.04 0.00 0.10 0.00 0.00 34.13 31.34 2dia s GLU 101 CO 0.01 0.31 1.12 -1.25 0.02 0.00 0.00 175.26 175.47 2dia s PRO 102 N -3.37 3.23 -0.24 0.39 0.04 -1.26 -1.99 135.00 131.80 2dia s PRO 102 Ca 0.42 1.56 -0.02 0.00 0.04 0.00 0.00 61.00 63.00 2dia s PRO 102 Cb -0.11 -1.99 0.09 0.00 0.04 0.00 0.00 34.50 32.53 2dia s PRO 102 CO 0.29 -0.94 2.33 0.00 0.04 0.00 0.00 177.00 178.72 2dia n ALA 103 N -1.56 5.27 -2.31 8.56 0.00 -1.26 -4.74 120.51 124.47 2dia n ALA 103 Ca 0.11 -1.58 -0.42 0.00 0.00 0.00 0.00 53.44 51.54 2dia n ALA 103 Cb 0.51 -1.54 -0.03 0.00 0.00 0.00 0.00 19.45 18.40 2dia n ALA 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2dia s VAL 104 N -1.44 4.00 0.35 0.00 -7.23 -1.26 -4.99 120.40 109.83 2dia s VAL 104 Ca 0.34 1.29 -0.04 0.00 -1.81 0.00 0.00 61.98 61.75 2dia s VAL 104 Cb 0.23 -3.83 0.01 0.00 0.56 0.00 0.00 36.38 33.34 2dia s VAL 104 CO -0.04 -0.06 0.51 -0.62 -0.31 0.00 0.00 175.10 174.57 2dia s ASP 105 N 2.07 0.82 -0.03 4.85 2.15 -1.26 -5.14 116.67 120.14 2dia s ASP 105 Ca 0.61 -1.45 -0.14 0.00 0.43 0.00 0.00 52.55 52.00 2dia s ASP 105 Cb -0.27 0.68 -0.05 0.00 -0.30 0.00 0.00 42.92 42.98 2dia s ASP 105 CO 0.22 -1.34 0.37 -0.89 -0.17 0.00 0.00 175.17 173.36 2dia s THR 106 N -2.98 5.11 -1.74 1.71 2.01 -1.26 -4.28 115.64 114.21 2dia s THR 106 Ca 0.29 0.74 -0.17 0.00 0.31 0.00 0.00 61.69 62.86 2dia s THR 106 Cb -0.01 -3.67 0.16 0.00 0.01 0.00 0.00 72.50 69.00 2dia s THR 106 CO 0.19 0.57 0.59 -1.54 -0.69 0.00 0.00 174.62 173.74 2dia n SER 107 N 1.97 -1.97 -4.77 3.53 3.41 -1.26 -4.87 113.62 109.66 2dia n SER 107 Ca -0.15 -1.14 -0.37 0.00 -0.26 0.00 0.00 58.87 56.95 2dia n SER 107 Cb 0.53 -2.15 -0.01 0.00 -0.26 0.00 0.00 64.21 62.31 2dia n SER 107 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dia s SER 108 N -3.48 6.19 0.00 4.04 0.15 -1.26 -4.96 113.70 114.39 2dia s SER 108 Ca 0.64 2.25 0.00 0.00 0.70 0.00 0.00 55.95 59.55 2dia s SER 108 Cb -0.36 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.35 2dia s SER 108 CO 0.98 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 175.13 2dia n GLY 109 N 0.38 -0.81 3.56 9.45 0.00 -1.26 -5.06 105.19 111.45 2dia n GLY 109 Ca 0.08 -1.39 -0.31 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.00 2.58 0.52 1.61 0.04 -1.26 -4.97 135.00 131.52 2dia s PRO 110 Ca 0.00 0.08 -0.19 0.00 0.04 0.00 0.00 61.00 60.93 2dia s PRO 110 Cb 0.00 -4.79 -0.07 0.00 0.04 0.00 0.00 34.50 29.68 2dia s PRO 110 CO 0.00 -3.12 1.03 0.45 0.04 0.00 0.00 177.00 175.41 2dia s SER 111 N 8.06 6.23 -0.34 6.66 0.15 -1.26 -4.94 113.70 128.27 2dia s SER 111 Ca 0.69 1.85 -0.28 0.00 0.70 0.00 0.00 55.95 58.91 2dia s SER 111 Cb -0.09 -2.55 -0.03 0.00 -1.71 0.00 0.00 66.02 61.64 2dia s SER 111 CO 0.08 -0.86 2.01 -0.94 1.20 0.00 0.00 173.24 174.73 2dia s SER 112 N -2.32 5.52 0.00 5.45 1.04 -1.26 -5.31 113.70 116.82 2dia s SER 112 Ca 0.65 1.37 0.00 0.00 0.48 0.00 0.00 55.95 58.45 2dia s SER 112 Cb -0.15 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.45 2dia s SER 112 CO 0.26 -1.99 0.00 0.61 0.98 0.00 0.00 173.24 173.09