#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 0.95 -0.17 1.61 0.15 -1.26 -5.04 113.70 109.94 2dia s SER 2 Ca 0.00 -0.14 -0.05 0.00 0.70 0.00 0.00 55.95 56.46 2dia s SER 2 Cb 0.00 -0.20 -0.13 0.00 -1.71 0.00 0.00 66.02 63.99 2dia s SER 2 CO 0.00 0.06 3.22 -0.24 1.20 0.00 0.00 173.24 177.48 2dia n SER 3 N 3.16 5.72 0.00 5.45 2.88 -1.26 -4.84 113.62 124.74 2dia n SER 3 Ca -0.16 -2.76 0.00 0.00 -1.33 0.00 0.00 58.87 54.62 2dia n SER 3 Cb 0.56 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.68 2dia n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dia n GLY 4 N 1.82 2.01 3.23 0.46 0.00 -1.26 -5.14 105.19 106.31 2dia n GLY 4 Ca 0.43 -1.84 -0.22 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.94 2.16 0.07 1.61 0.01 -1.26 -5.11 113.70 110.25 2dia s SER 5 Ca 0.00 -0.60 -0.31 0.00 1.31 0.00 0.00 55.95 56.35 2dia s SER 5 Cb 0.00 -0.12 -0.08 0.00 0.21 0.00 0.00 66.02 66.03 2dia s SER 5 CO 0.00 0.04 1.63 -0.55 0.41 0.00 0.00 173.24 174.77 2dia s SER 6 N -1.62 6.62 0.59 2.44 0.15 -1.26 -4.98 113.70 115.64 2dia s SER 6 Ca 0.04 2.46 -0.15 0.00 0.70 0.00 0.00 55.95 59.00 2dia s SER 6 Cb -0.09 -2.56 -0.04 0.00 -1.71 0.00 0.00 66.02 61.61 2dia s SER 6 CO 0.03 -0.87 1.04 -0.83 1.20 0.00 0.00 173.24 173.80 2dia s GLY 7 N 2.31 1.97 0.51 9.45 0.00 -1.26 -5.03 107.32 115.28 2dia s GLY 7 Ca 0.73 0.23 -0.21 0.00 0.00 0.00 0.00 44.72 45.47 2dia s GLY 7 CO 0.32 0.53 1.15 2.56 0.00 0.00 0.00 173.10 177.65 2dia s PRO 8 N -4.37 3.52 0.14 2.90 0.04 -1.26 -4.38 135.00 131.59 2dia s PRO 8 Ca 0.60 1.68 -0.14 0.00 0.04 0.00 0.00 61.00 63.18 2dia s PRO 8 Cb -0.13 -2.17 -0.07 0.00 0.04 0.00 0.00 34.50 32.17 2dia s PRO 8 CO 0.41 -0.73 0.55 0.12 0.04 0.00 0.00 177.00 177.38 2dia s PHE 9 N -1.67 3.62 -0.30 0.56 2.19 -1.26 -2.69 117.98 118.42 2dia s PHE 9 Ca 0.69 1.07 -0.13 0.00 0.33 0.00 0.00 56.93 58.88 2dia s PHE 9 Cb -0.26 -2.37 0.16 0.00 -1.31 0.00 0.00 43.02 39.24 2dia s PHE 9 CO 0.30 0.44 0.92 -0.51 1.83 0.00 0.00 175.22 178.20 2dia s ASP 10 N -1.67 -0.70 0.26 6.13 1.01 0.16 -4.89 116.67 116.96 2dia s ASP 10 Ca 0.37 0.90 0.03 0.00 0.71 0.00 0.00 52.55 54.56 2dia s ASP 10 Cb -0.15 1.77 0.33 0.00 1.01 0.00 0.00 42.92 45.89 2dia s ASP 10 CO 0.19 -0.13 1.64 1.55 0.21 0.00 0.00 175.17 178.62 2dia h PRO 11 N 7.64 0.35 -0.53 8.23 0.13 -1.87 -3.05 132.00 142.91 2dia h PRO 11 Ca -0.16 -0.18 0.02 0.00 -0.87 0.00 0.00 66.00 64.80 2dia h PRO 11 Cb 1.12 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 2dia h PRO 11 CO 0.08 0.73 0.35 0.77 -0.23 0.00 0.00 178.00 179.70 2dia h SER 12 N 0.29 0.57 0.16 1.44 0.02 -1.95 -0.91 113.55 113.17 2dia h SER 12 Ca 0.02 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 2dia h SER 12 Cb 0.90 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.30 2dia h SER 12 CO 0.07 0.41 -0.12 0.11 -1.14 0.00 0.00 176.83 176.16 2dia h LYS 13 N 0.67 0.00 -6.56 3.45 1.79 -1.86 -3.43 116.57 110.63 2dia h LYS 13 Ca 0.20 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 58.14 2dia h LYS 13 Cb -0.02 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 30.66 2dia h LYS 13 CO -0.05 0.12 0.81 0.08 -1.08 0.00 0.00 179.45 179.34 2dia s VAL 14 N -4.66 2.98 -0.16 0.50 1.01 -0.35 -4.44 120.40 115.30 2dia s VAL 14 Ca -0.04 0.69 -0.01 0.00 0.00 0.00 0.00 61.98 62.62 2dia s VAL 14 Cb 0.16 -3.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 2dia s VAL 14 CO 0.66 0.05 -0.12 -0.69 0.00 0.00 0.00 175.10 175.00 2dia s VAL 15 N 1.24 3.01 -0.01 2.92 1.01 -0.87 -4.73 120.40 122.98 2dia s VAL 15 Ca 0.68 -0.66 0.08 0.00 0.00 0.00 0.00 61.98 62.08 2dia s VAL 15 Cb -0.40 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 2dia s VAL 15 CO 0.31 0.50 -0.24 0.00 0.00 0.00 0.00 175.10 175.67 2dia s ALA 16 N 0.71 2.00 0.31 5.51 0.00 -1.26 -0.37 121.76 128.65 2dia s ALA 16 Ca -0.06 -1.06 -0.19 0.00 0.00 0.00 0.00 51.96 50.66 2dia s ALA 16 Cb -0.15 -0.49 0.06 0.00 0.00 0.00 0.00 23.12 22.54 2dia s ALA 16 CO 0.02 0.48 0.86 -1.54 0.00 0.00 0.00 175.76 175.59 2dia s SER 17 N -0.70 -0.03 0.00 0.00 1.04 -1.03 -4.97 113.70 108.01 2dia s SER 17 Ca 0.09 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.60 2dia s SER 17 Cb -0.09 0.72 0.00 0.00 0.10 0.00 0.00 66.02 66.75 2dia s SER 17 CO -0.00 -1.42 0.00 0.61 0.98 0.00 0.00 173.24 173.41 2dia n GLY 18 N -0.57 2.86 0.20 7.32 0.00 -1.26 -1.71 105.19 112.03 2dia n GLY 18 Ca -0.06 -1.90 -0.04 0.00 0.00 0.00 0.00 46.02 44.02 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 0.31 -0.74 1.61 0.13 -1.91 -3.10 132.00 128.29 2dia h PRO 19 Ca 0.00 -0.16 0.13 0.00 -0.87 0.00 0.00 66.00 65.10 2dia h PRO 19 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.09 2dia h PRO 19 CO 0.00 0.70 0.49 0.78 -0.23 0.00 0.00 178.00 179.74 2dia h GLY 20 N 1.24 0.78 1.91 1.56 0.00 -1.66 0.43 103.07 107.32 2dia h GLY 20 Ca 0.02 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.14 2dia h GLY 20 CO 0.07 0.09 0.00 1.04 0.00 0.00 0.00 176.54 177.74 2dia n LEU 21 N -4.49 0.00 -0.11 3.11 4.77 -1.17 -3.36 117.00 115.75 2dia n LEU 21 Ca 0.14 0.45 -0.13 0.00 -0.03 0.00 0.00 56.01 56.44 2dia n LEU 21 Cb 0.46 -0.45 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 2dia n LEU 21 CO 0.33 -0.03 -1.22 -0.62 -1.33 0.00 0.00 177.39 174.51 2dia n GLU 22 N -1.45 0.71 -3.57 3.23 1.02 0.13 -4.73 120.64 115.97 2dia n GLU 22 Ca 0.08 0.05 -0.05 0.00 -0.02 0.00 0.00 57.16 57.21 2dia n GLU 22 Cb 0.29 -1.51 -0.02 0.00 -0.02 0.00 0.00 31.44 30.18 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 -2.49 -0.18 0.21 -0.32 -3.43 0.22 -4.60 115.29 104.70 2dia s HIS 23 Ca -0.19 0.11 -0.09 0.00 -0.80 0.00 0.00 55.06 54.09 2dia s HIS 23 Cb 0.07 0.52 -0.01 0.00 -1.43 0.00 0.00 32.58 31.73 2dia s HIS 23 CO 0.73 -0.29 0.34 0.20 -2.00 0.00 0.00 174.74 173.72 2dia s GLY 24 N -2.27 0.73 0.01 -1.38 0.00 -1.19 -3.99 107.32 99.23 2dia s GLY 24 Ca 0.08 -1.07 0.02 0.00 0.00 0.00 0.00 44.72 43.75 2dia s GLY 24 CO -0.06 -0.87 -0.06 1.25 0.00 0.00 0.00 173.10 173.36 2dia s LYS 25 N -4.04 0.49 -0.23 2.90 2.20 -1.26 -1.29 119.74 118.51 2dia s LYS 25 Ca 0.25 -0.34 -0.34 0.00 -0.36 0.00 0.00 55.97 55.17 2dia s LYS 25 Cb 0.02 -0.42 -0.11 0.00 -1.51 0.00 0.00 37.83 35.82 2dia s LYS 25 CO 0.07 0.11 2.06 0.28 -0.36 0.00 0.00 175.35 177.51 2dia n VAL 26 N 2.58 0.36 0.00 4.02 0.31 -0.88 -0.41 118.33 124.31 2dia n VAL 26 Ca -0.15 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 2dia n VAL 26 Cb 0.57 -1.87 0.00 0.00 -0.91 0.00 0.00 33.84 31.63 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 5.50 2.94 2.83 2.92 0.00 0.12 -4.48 105.19 115.02 2dia n GLY 27 Ca 0.32 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.05 -4.32 -3.97 1.61 -0.58 0.45 -4.81 120.64 108.96 2dia n GLU 28 Ca 0.00 -1.32 -0.30 0.00 -0.42 0.00 0.00 57.16 55.12 2dia n GLU 28 Cb 0.00 -1.63 -0.16 0.00 -0.57 0.00 0.00 31.44 29.08 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 -2.23 1.91 -0.54 0.62 0.00 -1.26 -4.10 121.76 116.15 2dia s ALA 29 Ca 0.59 -1.15 -0.27 0.00 0.00 0.00 0.00 51.96 51.13 2dia s ALA 29 Cb -0.10 -1.26 -0.00 0.00 0.00 0.00 0.00 23.12 21.75 2dia s ALA 29 CO 0.49 -0.84 1.65 0.20 0.00 0.00 0.00 175.76 177.26 2dia s GLY 30 N 1.44 0.62 -0.18 0.00 0.00 -0.91 -4.86 107.32 103.43 2dia s GLY 30 Ca -0.01 -0.50 -0.29 0.00 0.00 0.00 0.00 44.72 43.92 2dia s GLY 30 CO -0.08 3.11 1.64 1.08 0.00 0.00 0.00 173.10 178.86 2dia s LEU 31 N 7.31 3.98 -0.05 0.66 1.43 -1.26 -3.77 118.68 126.99 2dia s LEU 31 Ca 0.63 1.78 0.02 0.00 -1.03 0.00 0.00 54.13 55.54 2dia s LEU 31 Cb -0.14 -3.53 0.01 0.00 0.03 0.00 0.00 46.19 42.56 2dia s LEU 31 CO 0.25 -1.20 -0.11 -0.76 0.23 0.00 0.00 176.35 174.76 2dia s LEU 32 N 5.02 1.69 -0.12 1.79 1.43 -0.62 -2.99 118.68 124.88 2dia s LEU 32 Ca 0.73 -0.25 0.03 0.00 -1.03 0.00 0.00 54.13 53.61 2dia s LEU 32 Cb -0.27 -0.70 0.01 0.00 0.03 0.00 0.00 46.19 45.25 2dia s LEU 32 CO 0.29 0.05 -0.21 -0.55 0.23 0.00 0.00 176.35 176.16 2dia s SER 33 N 0.44 2.94 -0.29 2.29 0.15 -0.69 -1.91 113.70 116.63 2dia s SER 33 Ca -0.09 -0.55 -0.05 0.00 0.70 0.00 0.00 55.95 55.96 2dia s SER 33 Cb -0.13 -1.35 0.02 0.00 -1.71 0.00 0.00 66.02 62.86 2dia s SER 33 CO 0.02 0.10 0.04 -0.69 1.20 0.00 0.00 173.24 173.91 2dia s VAL 34 N 0.65 3.58 -0.43 4.45 1.01 -0.92 -2.48 120.40 126.27 2dia s VAL 34 Ca -0.12 -0.92 -0.15 0.00 0.00 0.00 0.00 61.98 60.80 2dia s VAL 34 Cb -0.16 -2.90 0.05 0.00 0.00 0.00 0.00 36.38 33.37 2dia s VAL 34 CO 0.02 0.04 0.33 -0.62 0.00 0.00 0.00 175.10 174.88 2dia s ASP 35 N 1.42 6.08 -0.18 3.32 -1.08 0.50 -1.92 116.67 124.80 2dia s ASP 35 Ca 0.00 -1.11 -0.08 0.00 -0.52 0.00 0.00 52.55 50.84 2dia s ASP 35 Cb -0.18 -2.15 -0.04 0.00 -1.46 0.00 0.00 42.92 39.09 2dia s ASP 35 CO 0.01 -0.53 0.07 0.00 0.52 0.00 0.00 175.17 175.24 2dia n SER 37 N 3.53 0.99 -0.31 0.00 7.64 -1.26 -4.78 113.62 119.43 2dia n SER 37 Ca -0.16 0.13 0.08 0.00 1.01 0.00 0.00 58.87 59.93 2dia n SER 37 Cb 0.52 -0.31 0.15 0.00 -1.01 0.00 0.00 64.21 63.56 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 -3.48 1.25 0.11 1.43 1.02 -1.26 -4.70 120.64 115.01 2dia n GLU 38 Ca -0.02 -2.68 0.11 0.00 -0.02 0.00 0.00 57.16 54.55 2dia n GLU 38 Cb 0.13 -1.42 0.47 0.00 -0.02 0.00 0.00 31.44 30.59 2dia n GLU 38 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dia n ALA 39 N -1.19 1.64 -0.70 0.62 0.00 -1.26 -4.19 120.51 115.44 2dia n ALA 39 Ca 0.16 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2dia n ALA 39 Cb 0.68 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 -0.04 0.36 0.00 0.00 0.00 -1.10 -0.66 105.19 103.75 2dia n GLY 40 Ca 0.02 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 -4.90 135.00 130.67 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 2.22 3.82 0.55 0.00 -1.26 -4.76 105.19 108.21 2dia n GLY 42 Ca 0.00 -1.65 -0.38 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.50 3.70 0.12 4.61 0.00 -1.26 -4.61 121.76 122.82 2dia s ALA 43 Ca 0.00 -0.31 -0.11 0.00 0.00 0.00 0.00 51.96 51.55 2dia s ALA 43 Cb 0.00 -2.34 -0.06 0.00 0.00 0.00 0.00 23.12 20.71 2dia s ALA 43 CO 0.00 0.42 0.46 -1.17 0.00 0.00 0.00 175.76 175.47 2dia s LEU 44 N -0.76 4.32 -0.28 0.00 2.96 -1.26 -1.74 118.68 121.91 2dia s LEU 44 Ca 0.22 0.87 -0.16 0.00 -0.22 0.00 0.00 54.13 54.84 2dia s LEU 44 Cb -0.15 -3.17 0.09 0.00 0.50 0.00 0.00 46.19 43.45 2dia s LEU 44 CO 0.11 0.11 0.71 -0.83 -1.32 0.00 0.00 176.35 175.13 2dia s GLY 45 N -1.87 -0.59 0.11 7.98 0.00 -1.19 -5.03 107.32 106.72 2dia s GLY 45 Ca 0.37 2.49 0.07 0.00 0.00 0.00 0.00 44.72 47.65 2dia s GLY 45 CO 0.19 2.45 -0.08 -2.27 0.00 0.00 0.00 173.10 173.39 2dia s LEU 46 N 1.65 3.12 -0.14 0.66 2.96 -1.26 -1.97 118.68 123.69 2dia s LEU 46 Ca -0.10 -0.36 -0.01 0.00 -0.22 0.00 0.00 54.13 53.44 2dia s LEU 46 Cb -0.05 -1.89 0.04 0.00 0.50 0.00 0.00 46.19 44.79 2dia s LEU 46 CO -0.20 0.17 -0.03 -0.70 -1.32 0.00 0.00 176.35 174.28 2dia s GLU 47 N -2.29 1.10 -0.23 1.98 2.56 0.15 -4.95 118.70 117.02 2dia s GLU 47 Ca 0.23 -0.32 -0.12 0.00 0.00 0.00 0.00 54.97 54.75 2dia s GLU 47 Cb -0.11 -1.74 -0.05 0.00 2.00 0.00 0.00 34.13 34.24 2dia s GLU 47 CO 0.15 -0.42 0.23 0.00 -0.56 0.00 0.00 175.26 174.65 2dia s ALA 48 N 1.76 3.59 -0.11 6.30 0.00 -1.26 -2.00 121.76 130.04 2dia s ALA 48 Ca 0.02 -0.81 -0.05 0.00 0.00 0.00 0.00 51.96 51.12 2dia s ALA 48 Cb -0.15 -2.42 0.05 0.00 0.00 0.00 0.00 23.12 20.61 2dia s ALA 48 CO -0.07 -0.25 0.25 0.08 0.00 0.00 0.00 175.76 175.77 2dia s VAL 49 N 1.18 -0.11 0.38 0.00 1.01 -1.23 -2.15 120.40 119.48 2dia s VAL 49 Ca 0.11 0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.24 2dia s VAL 49 Cb -0.14 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 2dia s VAL 49 CO 0.06 0.07 0.62 -0.55 0.00 0.00 0.00 175.10 175.30 2dia s SER 50 N 1.48 6.31 0.48 3.32 0.15 -0.86 -0.56 113.70 124.01 2dia s SER 50 Ca -0.07 0.63 0.32 0.00 0.70 0.00 0.00 55.95 57.53 2dia s SER 50 Cb -0.11 -2.11 1.42 0.00 -1.71 0.00 0.00 66.02 63.51 2dia s SER 50 CO -0.09 -0.37 1.72 0.44 1.20 0.00 0.00 173.24 176.14 2dia h ASP 51 N 0.71 0.18 -0.43 5.45 3.32 -1.89 0.94 116.42 124.70 2dia h ASP 51 Ca -0.49 0.06 -0.24 0.00 0.02 0.00 0.00 57.03 56.39 2dia h ASP 51 Cb 1.21 0.04 -0.13 0.00 0.22 0.00 0.00 39.33 40.66 2dia h ASP 51 CO 0.62 -0.02 0.30 -1.20 -1.72 0.00 0.00 179.24 177.22 2dia n SER 52 N -4.40 3.82 -3.97 6.45 7.64 -1.26 -4.85 113.62 117.04 2dia n SER 52 Ca 0.31 -2.75 -0.26 0.00 1.01 0.00 0.00 58.87 57.18 2dia n SER 52 Cb 1.30 -0.71 -0.02 0.00 -1.01 0.00 0.00 64.21 63.76 2dia n SER 52 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dia n GLY 53 N -0.10 -0.24 3.29 0.23 0.00 0.33 -4.92 105.19 103.77 2dia n GLY 53 Ca 0.26 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 46.01 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 -3.90 4.53 -0.39 2.61 2.01 -1.18 -4.84 115.64 114.48 2dia s THR 54 Ca 0.07 -1.40 -0.29 0.00 0.31 0.00 0.00 61.69 60.39 2dia s THR 54 Cb -0.04 -3.80 0.01 0.00 0.01 0.00 0.00 72.50 68.68 2dia s THR 54 CO 0.89 -0.60 1.31 -0.54 -0.69 0.00 0.00 174.62 175.00 2dia s LYS 55 N 1.48 3.73 0.19 4.92 1.02 -1.26 -2.03 119.74 127.78 2dia s LYS 55 Ca 0.04 0.97 -0.14 0.00 0.02 0.00 0.00 55.97 56.86 2dia s LYS 55 Cb -0.24 -3.95 -0.07 0.00 -0.52 0.00 0.00 37.83 33.05 2dia s LYS 55 CO 0.03 -1.37 0.59 0.00 -0.92 0.00 0.00 175.35 173.67 2dia s ALA 56 N 4.86 3.53 0.31 5.17 0.00 -0.91 -4.94 121.76 129.77 2dia s ALA 56 Ca 0.57 -0.11 -0.29 0.00 0.00 0.00 0.00 51.96 52.12 2dia s ALA 56 Cb -0.13 -2.56 -0.11 0.00 0.00 0.00 0.00 23.12 20.32 2dia s ALA 56 CO 0.29 0.44 1.50 -2.00 0.00 0.00 0.00 175.76 175.99 2dia s GLU 57 N -2.25 4.17 -0.01 0.00 -6.30 -1.24 -4.46 118.70 108.61 2dia s GLU 57 Ca 0.42 2.48 0.02 0.00 -2.50 0.00 0.00 54.97 55.39 2dia s GLU 57 Cb -0.14 -3.03 -0.01 0.00 0.00 0.00 0.00 34.13 30.96 2dia s GLU 57 CO 0.20 -0.51 -0.07 0.08 0.02 0.00 0.00 175.26 174.98 2dia s VAL 58 N -0.45 0.56 -0.01 3.70 1.01 -1.26 -2.23 120.40 121.72 2dia s VAL 58 Ca 0.58 -0.30 0.02 0.00 0.00 0.00 0.00 61.98 62.28 2dia s VAL 58 Cb -0.45 -0.47 -0.00 0.00 0.00 0.00 0.00 36.38 35.45 2dia s VAL 58 CO 0.52 0.16 -0.08 -0.55 0.00 0.00 0.00 175.10 175.15 2dia s SER 59 N -0.16 0.91 -0.13 3.32 0.15 -0.98 -5.00 113.70 111.82 2dia s SER 59 Ca 0.03 -0.14 0.01 0.00 0.70 0.00 0.00 55.95 56.54 2dia s SER 59 Cb -0.03 -0.12 0.02 0.00 -1.71 0.00 0.00 66.02 64.18 2dia s SER 59 CO -0.00 0.09 -0.13 -0.63 1.20 0.00 0.00 173.24 173.76 2dia s ILE 60 N -0.13 1.42 -0.14 6.45 1.01 -1.26 -2.25 121.20 126.31 2dia s ILE 60 Ca 0.02 -0.56 -0.07 0.00 0.00 0.00 0.00 60.65 60.04 2dia s ILE 60 Cb -0.04 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 2dia s ILE 60 CO -0.00 0.43 0.13 -1.58 0.00 0.00 0.00 174.94 173.92 2dia s GLN 61 N 1.37 3.62 -0.15 2.79 2.00 -0.65 -4.92 119.66 123.71 2dia s GLN 61 Ca 0.01 -0.18 -0.06 0.00 -2.00 0.00 0.00 55.36 53.14 2dia s GLN 61 Cb -0.13 -3.23 -0.04 0.00 0.80 0.00 0.00 33.01 30.41 2dia s GLN 61 CO -0.07 0.64 0.04 -0.80 -0.50 0.00 0.00 175.29 174.60 2dia s ASN 62 N -0.63 5.52 0.13 6.67 -0.87 -1.26 -2.31 114.94 122.19 2dia s ASN 62 Ca 0.13 0.11 0.10 0.00 -1.57 0.00 0.00 52.86 51.63 2dia s ASN 62 Cb -0.12 -1.84 -0.04 0.00 -0.02 0.00 0.00 41.25 39.23 2dia s ASN 62 CO 0.02 0.25 -0.24 0.20 -2.57 0.00 0.00 177.10 174.76 2dia s ASN 63 N -0.07 2.97 -0.07 -1.22 0.01 -1.21 -5.02 114.94 110.33 2dia s ASN 63 Ca 0.06 -0.74 0.04 0.00 -0.71 0.00 0.00 52.86 51.50 2dia s ASN 63 Cb -0.12 -0.19 0.23 0.00 0.41 0.00 0.00 41.25 41.58 2dia s ASN 63 CO 0.01 0.11 0.85 1.17 -1.51 0.00 0.00 177.10 177.74 2dia n LYS 64 N 0.88 2.06 -0.12 -0.60 4.81 -1.26 -3.79 118.16 120.14 2dia n LYS 64 Ca -0.18 -0.87 -0.23 0.00 -0.87 0.00 0.00 58.31 56.17 2dia n LYS 64 Cb 0.54 -1.70 -0.09 0.00 0.02 0.00 0.00 35.03 33.79 2dia n LYS 64 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2dia n ASP 65 N 0.17 1.90 0.00 3.14 -0.08 -1.26 -5.03 116.55 115.39 2dia n ASP 65 Ca 0.08 0.15 0.00 0.00 -1.51 0.00 0.00 54.79 53.51 2dia n ASP 65 Cb 0.52 -0.59 0.00 0.00 2.34 0.00 0.00 41.12 43.38 2dia n ASP 65 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2dia n GLY 66 N 1.79 0.26 3.42 0.27 0.00 -1.25 -5.10 105.19 104.58 2dia n GLY 66 Ca -0.46 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.28 0.00 -0.01 2.61 -4.23 -1.26 -2.31 115.64 110.16 2dia s THR 67 Ca 0.00 -1.71 -0.05 0.00 -1.18 0.00 0.00 61.69 58.75 2dia s THR 67 Cb 0.00 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.32 2dia s THR 67 CO 0.00 0.00 0.10 -0.31 -0.54 0.00 0.00 174.62 173.87 2dia s TYR 68 N -3.49 0.01 -0.44 3.99 1.51 -0.81 -3.35 117.35 114.78 2dia s TYR 68 Ca 0.33 -0.03 -0.08 0.00 -1.01 0.00 0.00 57.07 56.28 2dia s TYR 68 Cb 0.01 -0.04 0.10 0.00 -0.11 0.00 0.00 41.96 41.93 2dia s TYR 68 CO 0.18 -0.18 0.28 0.00 -1.11 0.00 0.00 175.55 174.73 2dia s ALA 69 N -0.80 3.30 -0.08 3.71 0.00 -0.98 -2.16 121.76 124.75 2dia s ALA 69 Ca -0.09 -2.37 -0.04 0.00 0.00 0.00 0.00 51.96 49.47 2dia s ALA 69 Cb -0.05 -2.66 -0.04 0.00 0.00 0.00 0.00 23.12 20.37 2dia s ALA 69 CO 0.01 -1.77 0.07 0.08 0.00 0.00 0.00 175.76 174.14 2dia s VAL 70 N 1.34 4.85 -0.00 0.00 1.01 -0.80 -1.64 120.40 125.16 2dia s VAL 70 Ca 0.05 -0.10 -0.08 0.00 0.00 0.00 0.00 61.98 61.84 2dia s VAL 70 Cb -0.24 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.04 2dia s VAL 70 CO -0.00 0.56 0.16 -0.89 0.00 0.00 0.00 175.10 174.93 2dia s THR 71 N -1.00 0.08 -0.02 3.92 2.01 -0.95 -1.59 115.64 118.08 2dia s THR 71 Ca 0.16 -0.64 0.00 0.00 0.31 0.00 0.00 61.69 61.53 2dia s THR 71 Cb -0.12 -0.45 0.02 0.00 0.01 0.00 0.00 72.50 71.97 2dia s THR 71 CO 0.05 -0.35 0.00 -0.72 -0.69 0.00 0.00 174.62 172.91 2dia s TYR 72 N -1.31 0.24 -0.40 4.92 -0.85 -1.25 -2.32 117.35 116.39 2dia s TYR 72 Ca -0.14 0.01 -0.02 0.00 -0.52 0.00 0.00 57.07 56.41 2dia s TYR 72 Cb -0.07 -0.32 0.11 0.00 0.38 0.00 0.00 41.96 42.05 2dia s TYR 72 CO 0.02 -0.10 0.18 0.08 -1.52 0.00 0.00 175.55 174.21 2dia s VAL 73 N 0.81 3.13 -0.01 -3.49 1.01 -0.95 -2.15 120.40 118.76 2dia s VAL 73 Ca -0.08 -2.09 -0.30 0.00 0.00 0.00 0.00 61.98 59.51 2dia s VAL 73 Cb -0.11 -3.16 -0.06 0.00 0.00 0.00 0.00 36.38 33.05 2dia s VAL 73 CO -0.02 -0.67 1.45 -2.16 0.00 0.00 0.00 175.10 173.71 2dia s PRO 74 N 1.11 4.26 0.16 2.72 0.04 -1.26 -3.72 135.00 138.30 2dia s PRO 74 Ca 0.08 2.02 0.08 0.00 0.04 0.00 0.00 61.00 63.22 2dia s PRO 74 Cb -0.22 -3.64 -0.07 0.00 0.04 0.00 0.00 34.50 30.61 2dia s PRO 74 CO -0.05 -0.64 1.36 -0.07 0.04 0.00 0.00 177.00 177.65 2dia h LEU 75 N 8.69 0.00 -8.48 -3.56 3.38 -1.93 0.35 115.31 113.77 2dia h LEU 75 Ca -0.38 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.14 2dia h LEU 75 Cb 1.18 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.71 2dia h LEU 75 CO 0.92 0.89 -0.79 0.28 0.09 0.00 0.00 178.44 179.83 2dia s THR 76 N -2.92 1.28 0.54 0.22 -1.32 -1.26 -4.79 115.64 107.38 2dia s THR 76 Ca 0.01 -1.35 -0.18 0.00 -1.21 0.00 0.00 61.69 58.96 2dia s THR 76 Cb 0.11 -1.20 -0.06 0.00 -1.51 0.00 0.00 72.50 69.83 2dia s THR 76 CO 0.80 -0.16 1.03 0.00 -2.21 0.00 0.00 174.62 174.08 2dia s ALA 77 N -1.21 2.86 0.00 11.08 0.00 -1.26 -4.84 121.76 128.38 2dia s ALA 77 Ca 0.01 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.38 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 0.03 -0.50 0.00 0.41 0.00 0.00 0.00 175.76 175.69 2dia n GLY 78 N -0.86 2.12 3.71 0.00 0.00 -1.00 -5.02 105.19 104.15 2dia n GLY 78 Ca 0.08 -1.88 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 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 -1.52 4.30 0.15 1.61 -1.94 -1.26 -2.77 119.30 117.87 2dia s MET 79 Ca 0.00 2.12 0.06 0.00 -1.71 0.00 0.00 55.69 56.16 2dia s MET 79 Cb 0.00 -3.26 -0.04 0.00 2.01 0.00 0.00 34.83 33.54 2dia s MET 79 CO 0.00 -0.48 0.02 0.71 -0.01 0.00 0.00 175.02 175.27 2dia s TYR 80 N 1.21 2.93 -0.53 -0.03 1.51 -1.09 -2.79 117.35 118.57 2dia s TYR 80 Ca 0.66 -0.09 0.01 0.00 -1.01 0.00 0.00 57.07 56.63 2dia s TYR 80 Cb -0.38 -1.44 0.14 0.00 -0.11 0.00 0.00 41.96 40.17 2dia s TYR 80 CO 0.30 0.51 0.29 0.99 -1.11 0.00 0.00 175.55 176.53 2dia s THR 81 N -1.64 2.99 0.15 -0.71 2.01 0.27 -3.11 115.64 115.60 2dia s THR 81 Ca 0.28 -2.99 -0.31 0.00 0.31 0.00 0.00 61.69 58.98 2dia s THR 81 Cb -0.10 -3.03 -0.08 0.00 0.01 0.00 0.00 72.50 69.30 2dia s THR 81 CO 0.19 -0.79 1.32 -0.76 -0.69 0.00 0.00 174.62 173.89 2dia s LEU 82 N 0.03 4.40 -0.15 4.42 1.43 -0.61 -3.57 118.68 124.62 2dia s LEU 82 Ca 0.16 2.32 -0.02 0.00 -1.03 0.00 0.00 54.13 55.56 2dia s LEU 82 Cb -0.23 -3.60 0.05 0.00 0.03 0.00 0.00 46.19 42.44 2dia s LEU 82 CO -0.02 -0.56 -0.00 -0.89 0.23 0.00 0.00 176.35 175.11 2dia s THR 83 N 0.56 0.67 -0.12 5.49 2.01 -0.85 -1.98 115.64 121.43 2dia s THR 83 Ca 0.59 -0.41 0.03 0.00 0.31 0.00 0.00 61.69 62.21 2dia s THR 83 Cb -0.36 -0.99 0.00 0.00 0.01 0.00 0.00 72.50 71.17 2dia s THR 83 CO 0.34 0.01 -0.23 -0.32 -0.69 0.00 0.00 174.62 173.74 2dia s MET 84 N 1.81 3.05 -0.13 4.92 0.00 -1.26 0.32 119.30 128.02 2dia s MET 84 Ca 0.01 -0.86 -0.00 0.00 0.00 0.00 0.00 55.69 54.84 2dia s MET 84 Cb -0.15 -2.37 0.03 0.00 0.00 0.00 0.00 34.83 32.33 2dia s MET 84 CO -0.07 0.10 -0.07 0.15 0.00 0.00 0.00 175.02 175.12 2dia s LYS 85 N 0.55 1.54 -0.21 4.11 1.02 -0.83 -2.94 119.74 122.97 2dia s LYS 85 Ca -0.14 -0.36 -0.13 0.00 0.02 0.00 0.00 55.97 55.37 2dia s LYS 85 Cb -0.17 -1.75 -0.05 0.00 -0.52 0.00 0.00 37.83 35.34 2dia s LYS 85 CO 0.04 -0.32 0.25 -0.47 -0.92 0.00 0.00 175.35 173.93 2dia s TYR 86 N 1.67 3.37 -0.67 3.18 5.04 0.15 -3.18 117.35 126.91 2dia s TYR 86 Ca 0.04 0.41 0.00 0.00 -2.44 0.00 0.00 57.07 55.08 2dia s TYR 86 Cb -0.13 -2.34 0.00 0.00 0.35 0.00 0.00 41.96 39.84 2dia s TYR 86 CO -0.08 0.10 0.00 0.41 -1.34 0.00 0.00 175.55 174.64 2dia n GLY 87 N 3.93 0.60 0.04 8.97 0.00 -0.71 0.61 105.19 118.63 2dia n GLY 87 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.18 0.99 2.92 -0.02 0.00 -1.26 -4.89 105.19 103.10 2dia n GLY 88 Ca -0.06 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.19 0.91 0.57 1.61 0.41 0.20 -5.09 118.70 117.12 2dia s GLU 89 Ca 0.00 -0.16 -0.21 0.00 -0.41 0.00 0.00 54.97 54.19 2dia s GLU 89 Cb 0.00 -0.87 -0.04 0.00 -1.78 0.00 0.00 34.13 31.44 2dia s GLU 89 CO 0.00 -0.04 1.31 -0.51 -0.49 0.00 0.00 175.26 175.53 2dia s LEU 90 N 0.75 3.77 0.32 1.80 1.43 -1.26 0.31 118.68 125.80 2dia s LEU 90 Ca -0.11 2.65 0.03 0.00 -1.03 0.00 0.00 54.13 55.67 2dia s LEU 90 Cb -0.13 -4.40 -0.03 0.00 0.03 0.00 0.00 46.19 41.66 2dia s LEU 90 CO 0.01 -1.63 0.49 0.68 0.23 0.00 0.00 176.35 176.13 2dia s VAL 91 N -1.38 4.89 -2.00 -1.59 -7.23 -1.15 -4.73 120.40 107.21 2dia s VAL 91 Ca 0.74 -0.72 0.08 0.00 -1.81 0.00 0.00 61.98 60.27 2dia s VAL 91 Cb -0.37 -3.76 0.23 0.00 0.56 0.00 0.00 36.38 33.03 2dia s VAL 91 CO 0.43 -0.40 0.92 -0.81 -0.31 0.00 0.00 175.10 174.93 2dia n PRO 92 N -1.67 0.49 -0.06 4.82 -0.04 -1.26 -1.88 135.00 135.39 2dia n PRO 92 Ca -0.05 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.47 2dia n PRO 92 Cb 0.57 -1.26 0.09 0.00 -0.04 0.00 0.00 33.50 32.86 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 -0.76 0.06 -3.58 0.54 8.25 -1.26 -5.03 115.22 113.45 2dia n HIS 93 Ca 0.06 -0.76 -0.15 0.00 -0.26 0.00 0.00 57.72 56.61 2dia n HIS 93 Cb 0.03 -0.11 -0.06 0.00 1.12 0.00 0.00 29.99 30.97 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 -2.00 -0.48 0.65 4.41 0.40 -0.79 -4.22 117.98 115.96 2dia s PHE 94 Ca 0.18 0.69 -0.15 0.00 -0.60 0.00 0.00 56.93 57.05 2dia s PHE 94 Cb 0.16 0.33 -0.01 0.00 0.51 0.00 0.00 43.02 44.02 2dia s PHE 94 CO 0.03 -0.60 1.11 -1.25 0.70 0.00 0.00 175.22 175.21 2dia s PRO 95 N -1.82 2.85 -0.01 0.24 0.04 -1.26 -4.38 135.00 130.66 2dia s PRO 95 Ca -0.09 1.41 0.03 0.00 0.04 0.00 0.00 61.00 62.39 2dia s PRO 95 Cb -0.01 -1.96 -0.00 0.00 0.04 0.00 0.00 34.50 32.57 2dia s PRO 95 CO 0.03 -1.22 -0.08 0.00 0.04 0.00 0.00 177.00 175.77 2dia s ALA 96 N -2.29 0.74 -0.08 8.56 0.00 -0.84 -4.97 121.76 122.88 2dia s ALA 96 Ca 0.67 -0.35 -0.13 0.00 0.00 0.00 0.00 51.96 52.15 2dia s ALA 96 Cb -0.21 -0.22 -0.05 0.00 0.00 0.00 0.00 23.12 22.65 2dia s ALA 96 CO 0.40 0.16 0.32 -0.98 0.00 0.00 0.00 175.76 175.67 2dia s ARG 97 N -0.08 3.95 -0.12 0.00 1.04 -1.26 -1.58 118.95 120.90 2dia s ARG 97 Ca 0.01 0.21 -0.04 0.00 -1.04 0.00 0.00 55.73 54.88 2dia s ARG 97 Cb -0.05 -3.29 0.05 0.00 -2.04 0.00 0.00 34.95 29.63 2dia s ARG 97 CO -0.00 0.54 0.11 0.08 -0.04 0.00 0.00 175.30 175.99 2dia s VAL 98 N -0.49 -0.16 -0.11 4.99 1.01 -1.18 -4.89 120.40 119.56 2dia s VAL 98 Ca 0.20 0.11 -0.29 0.00 0.00 0.00 0.00 61.98 62.00 2dia s VAL 98 Cb -0.15 -0.41 -0.03 0.00 0.00 0.00 0.00 36.38 35.79 2dia s VAL 98 CO 0.08 -0.06 1.40 -0.75 0.00 0.00 0.00 175.10 175.78 2dia s LYS 99 N 2.20 4.22 -0.16 2.72 2.20 -1.26 -2.67 119.74 127.00 2dia s LYS 99 Ca 0.04 1.86 -0.06 0.00 -0.36 0.00 0.00 55.97 57.45 2dia s LYS 99 Cb -0.14 -3.82 -0.04 0.00 -1.51 0.00 0.00 37.83 32.32 2dia s LYS 99 CO -0.07 -0.74 0.05 0.08 -0.36 0.00 0.00 175.35 174.32 2dia s VAL 100 N 3.56 4.73 0.29 4.02 1.01 -1.11 -3.15 120.40 129.75 2dia s VAL 100 Ca 0.62 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.54 2dia s VAL 100 Cb -0.26 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 2dia s VAL 100 CO 0.21 0.51 0.48 -1.61 0.00 0.00 0.00 175.10 174.68 2dia s GLU 101 N -0.02 3.49 0.56 2.72 2.02 -0.41 -2.38 118.70 124.68 2dia s GLU 101 Ca 0.06 -0.40 -0.19 0.00 0.02 0.00 0.00 54.97 54.46 2dia s GLU 101 Cb -0.12 -2.74 -0.05 0.00 0.10 0.00 0.00 34.13 31.31 2dia s GLU 101 CO 0.01 0.26 1.13 -1.25 0.02 0.00 0.00 175.26 175.43 2dia s PRO 102 N -3.99 3.27 -0.15 0.39 0.04 -1.26 -2.08 135.00 131.22 2dia s PRO 102 Ca 0.39 1.58 -0.03 0.00 0.04 0.00 0.00 61.00 62.98 2dia s PRO 102 Cb -0.10 -2.00 -0.02 0.00 0.04 0.00 0.00 34.50 32.42 2dia s PRO 102 CO 0.33 -0.91 2.62 0.00 0.04 0.00 0.00 177.00 179.08 2dia n ALA 103 N -1.47 5.38 -1.72 8.56 0.00 -1.26 -4.75 120.51 125.25 2dia n ALA 103 Ca 0.11 -1.44 -0.42 0.00 0.00 0.00 0.00 53.44 51.70 2dia n ALA 103 Cb 0.51 -1.67 -0.03 0.00 0.00 0.00 0.00 19.45 18.26 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 -0.61 2.38 0.74 0.00 -7.23 -1.26 -4.97 120.40 109.45 2dia s VAL 104 Ca 0.37 0.04 -0.11 0.00 -1.81 0.00 0.00 61.98 60.47 2dia s VAL 104 Cb 0.21 -3.03 0.04 0.00 0.56 0.00 0.00 36.38 34.17 2dia s VAL 104 CO -0.04 0.00 1.08 -0.62 -0.31 0.00 0.00 175.10 175.21 2dia s ASP 105 N 2.23 4.94 -0.10 4.85 -1.08 -1.26 -5.03 116.67 121.23 2dia s ASP 105 Ca 0.79 1.51 -0.12 0.00 -0.52 0.00 0.00 52.55 54.22 2dia s ASP 105 Cb -0.47 -2.32 -0.05 0.00 -1.46 0.00 0.00 42.92 38.62 2dia s ASP 105 CO 0.35 -1.71 -0.24 0.41 0.52 0.00 0.00 175.17 174.51 2dia n THR 106 N -3.29 1.36 -0.66 1.71 -1.04 -1.26 -5.03 114.28 106.07 2dia n THR 106 Ca 0.07 0.16 -0.30 0.00 -2.04 0.00 0.00 64.05 61.94 2dia n THR 106 Cb 0.55 -2.05 0.20 0.00 -1.82 0.00 0.00 70.33 67.21 2dia n THR 106 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2dia s SER 107 N -6.05 2.14 -0.03 8.00 0.15 -1.26 -5.01 113.70 111.65 2dia s SER 107 Ca -0.20 1.89 -0.08 0.00 0.70 0.00 0.00 55.95 58.26 2dia s SER 107 Cb 0.04 -2.45 -0.03 0.00 -1.71 0.00 0.00 66.02 61.87 2dia s SER 107 CO 0.29 -3.54 -0.16 -0.24 1.20 0.00 0.00 173.24 170.80 2dia n SER 108 N -4.50 1.47 0.00 5.45 2.88 -1.26 -5.15 113.62 112.50 2dia n SER 108 Ca 0.08 0.22 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 2dia n SER 108 Cb 0.53 -0.52 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 2dia n SER 108 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dia n GLY 109 N 2.57 0.56 0.80 0.46 0.00 -1.26 -5.06 105.19 103.26 2dia n GLY 109 Ca -0.07 -1.55 -0.07 0.00 0.00 0.00 0.00 46.02 44.34 2dia n GLY 109 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dia n PRO 110 N 0.94 -1.51 -1.74 1.61 -0.04 -1.26 -4.83 135.00 128.16 2dia n PRO 110 Ca 0.00 -0.40 -0.31 0.00 -0.04 0.00 0.00 63.50 62.75 2dia n PRO 110 Cb 0.00 -0.37 -0.04 0.00 -0.04 0.00 0.00 33.50 33.04 2dia n PRO 110 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dia s SER 111 N -2.18 4.60 -1.57 3.54 0.01 -1.26 -3.50 113.70 113.34 2dia s SER 111 Ca 0.16 0.46 -0.06 0.00 1.31 0.00 0.00 55.95 57.82 2dia s SER 111 Cb -0.02 -2.53 0.06 0.00 0.21 0.00 0.00 66.02 63.75 2dia s SER 111 CO 0.12 -2.96 0.14 -1.54 0.41 0.00 0.00 173.24 169.42 2dia n SER 112 N 15.51 0.26 -0.77 2.44 3.41 -1.26 -5.35 113.62 127.86 2dia n SER 112 Ca 0.35 -1.23 0.13 0.00 -0.26 0.00 0.00 58.87 57.86 2dia n SER 112 Cb 0.51 -1.53 0.27 0.00 -0.26 0.00 0.00 64.21 63.19 2dia n SER 112 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49