#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jya s SER 3 N 0.00 5.74 0.21 7.72 1.04 -1.26 -4.82 113.70 122.32 1jya s SER 3 Ca 0.00 -0.17 -0.10 0.00 0.48 0.00 0.00 55.95 56.16 1jya s SER 3 Cb 0.00 -1.02 0.25 0.00 0.10 0.00 0.00 66.02 65.35 1jya s SER 3 CO 0.00 -0.69 1.78 0.15 0.98 0.00 0.00 173.24 175.45 1jya h PHE 4 N 0.61 0.54 -0.88 5.02 3.57 -1.99 -1.24 116.94 122.56 1jya h PHE 4 Ca -0.43 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.12 1jya h PHE 4 Cb 1.27 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.81 1jya h PHE 4 CO 0.41 0.22 0.58 0.93 -2.23 0.00 0.00 178.31 178.21 1jya h GLU 5 N 0.54 1.11 -0.34 1.11 3.07 -1.96 -1.46 114.58 116.65 1jya h GLU 5 Ca 0.29 -0.07 -0.13 0.00 -0.50 0.00 0.00 59.36 58.96 1jya h GLU 5 Cb 0.27 -0.25 -0.01 0.00 -0.84 0.00 0.00 28.75 27.92 1jya h GLU 5 CO -0.23 0.73 -0.32 1.96 -1.40 0.00 0.00 179.01 179.76 1jya h GLN 6 N 1.14 0.73 -0.44 2.33 4.20 -1.70 -1.37 115.11 119.99 1jya h GLN 6 Ca 0.34 -0.34 -0.12 0.00 0.06 0.00 0.00 58.65 58.60 1jya h GLN 6 Cb -0.05 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1jya h GLN 6 CO -0.10 0.95 -0.19 0.00 -0.67 0.00 0.00 178.83 178.82 1jya h ALA 7 N 1.03 0.62 -0.50 3.87 0.00 -0.94 -2.21 119.26 121.13 1jya h ALA 7 Ca 0.07 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.55 1jya h ALA 7 Cb 0.84 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1jya h ALA 7 CO 0.07 0.57 0.08 0.82 0.00 0.00 0.00 179.25 180.80 1jya h ILE 8 N 0.74 1.25 -0.46 0.00 1.08 -1.19 -1.93 117.51 117.00 1jya h ILE 8 Ca 0.10 -0.93 0.01 0.00 -0.39 0.00 0.00 64.86 63.65 1jya h ILE 8 Cb 0.75 0.89 -0.02 0.00 -3.07 0.00 0.00 36.82 35.37 1jya h ILE 8 CO 0.06 0.33 0.30 0.74 -0.69 0.00 0.00 178.15 178.89 1jya h THR 9 N 0.70 1.11 -0.62 -0.27 2.02 -1.14 -0.29 112.91 114.42 1jya h THR 9 Ca 0.15 -0.21 -0.05 0.00 0.77 0.00 0.00 66.41 67.07 1jya h THR 9 Cb 0.40 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.23 1jya h THR 9 CO 0.01 0.11 0.18 -0.61 0.37 0.00 0.00 175.52 175.58 1jya h GLN 10 N 0.61 0.98 -0.47 6.66 4.15 -1.29 -1.90 115.11 123.84 1jya h GLN 10 Ca 0.17 -0.22 -0.03 0.00 0.77 0.00 0.00 58.65 59.34 1jya h GLN 10 Cb -0.06 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.47 1jya h GLN 10 CO -0.04 0.88 0.17 1.25 -1.93 0.00 0.00 178.83 179.15 1jya h LEU 11 N 0.90 0.67 -1.26 -2.39 5.85 -1.01 -2.06 115.31 116.01 1jya h LEU 11 Ca 0.20 -0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 1jya h LEU 11 Cb 0.32 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1jya h LEU 11 CO -0.00 0.68 -0.28 -0.26 -0.34 0.00 0.00 178.44 178.23 1jya h PHE 12 N 0.63 0.16 -0.39 1.25 -1.00 -0.93 -0.63 116.94 116.02 1jya h PHE 12 Ca 0.16 -0.03 -0.12 0.00 2.81 0.00 0.00 57.97 60.79 1jya h PHE 12 Cb 0.23 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 39.74 1jya h PHE 12 CO 0.01 0.42 -0.24 1.96 -1.61 0.00 0.00 178.31 178.84 1jya h GLN 13 N 0.13 0.80 -0.15 1.51 4.20 -1.04 0.31 115.11 120.87 1jya h GLN 13 Ca 0.02 -0.34 -0.12 0.00 0.06 0.00 0.00 58.65 58.27 1jya h GLN 13 Cb 0.57 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.31 1jya h GLN 13 CO 0.04 0.96 -0.44 1.96 -0.67 0.00 0.00 178.83 180.68 1jya h GLN 14 N 0.69 0.36 -0.01 1.46 4.20 -0.72 -2.61 115.11 118.48 1jya h GLN 14 Ca 0.09 -0.19 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1jya h GLN 14 Cb 0.77 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.55 1jya h GLN 14 CO 0.06 0.74 -0.10 1.28 -0.67 0.00 0.00 178.83 180.14 1jya n LEU 15 N -4.00 1.18 -3.58 1.46 4.77 -0.30 -4.93 117.00 111.58 1jya n LEU 15 Ca -0.02 -0.35 -0.22 0.00 -0.03 0.00 0.00 56.01 55.39 1jya n LEU 15 Cb 0.52 -0.06 0.08 0.00 -2.33 0.00 0.00 43.42 41.63 1jya n LEU 15 CO 0.43 0.20 0.18 -1.20 -1.33 0.00 0.00 177.39 175.68 1jya n SER 16 N -0.26 -4.82 -4.58 -1.43 7.64 0.30 -5.00 113.62 105.47 1jya n SER 16 Ca 0.17 -0.60 -0.33 0.00 1.01 0.00 0.00 58.87 59.12 1jya n SER 16 Cb 0.33 -4.92 -0.11 0.00 -1.01 0.00 0.00 64.21 58.50 1jya n SER 16 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1jya s LEU 17 N -7.02 3.13 0.19 -3.43 1.43 0.83 -5.02 118.68 108.79 1jya s LEU 17 Ca 0.41 -0.10 -0.32 0.00 -1.03 0.00 0.00 54.13 53.09 1jya s LEU 17 Cb -0.18 -1.74 -0.11 0.00 0.03 0.00 0.00 46.19 44.19 1jya s LEU 17 CO 0.74 0.32 1.62 -0.55 0.23 0.00 0.00 176.35 178.71 1jya s SER 18 N -1.10 6.51 -0.26 2.29 0.15 -1.26 -4.51 113.70 115.52 1jya s SER 18 Ca 0.15 2.72 -0.19 0.00 0.70 0.00 0.00 55.95 59.33 1jya s SER 18 Cb -0.11 -2.60 -0.02 0.00 -1.71 0.00 0.00 66.02 61.58 1jya s SER 18 CO 0.04 -0.87 0.56 -0.63 1.20 0.00 0.00 173.24 173.53 1jya s ILE 19 N 1.04 5.04 0.50 6.45 1.01 -1.26 -5.04 121.20 128.94 1jya s ILE 19 Ca 0.71 0.97 -0.21 0.00 0.00 0.00 0.00 60.65 62.11 1jya s ILE 19 Cb -0.46 -3.87 -0.09 0.00 0.01 0.00 0.00 42.46 38.06 1jya s ILE 19 CO 0.33 0.06 0.89 -2.65 0.00 0.00 0.00 174.94 173.58 1jya n PRO 20 N 5.60 1.04 -0.20 2.79 -0.02 -1.26 -4.88 135.00 138.07 1jya n PRO 20 Ca -0.03 0.38 -0.02 0.00 -2.02 0.00 0.00 63.50 61.82 1jya n PRO 20 Cb 0.49 -1.99 0.09 0.00 -0.02 0.00 0.00 33.50 32.07 1jya n PRO 20 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 1jya h ASP 21 N 0.99 0.40 -3.24 2.55 1.82 -2.06 -3.37 116.42 113.52 1jya h ASP 21 Ca -0.46 0.04 -0.67 0.00 -0.39 0.00 0.00 57.03 55.56 1jya h ASP 21 Cb 1.36 -0.03 -0.32 0.00 0.68 0.00 0.00 39.33 41.02 1jya h ASP 21 CO 0.53 0.26 -0.80 -0.89 -1.61 0.00 0.00 179.24 176.73 1jya s THR 22 N -6.10 2.57 -0.40 2.25 2.01 -1.26 -5.09 115.64 109.62 1jya s THR 22 Ca -0.13 -0.82 -0.27 0.00 0.31 0.00 0.00 61.69 60.78 1jya s THR 22 Cb 0.16 -2.15 0.02 0.00 0.01 0.00 0.00 72.50 70.54 1jya s THR 22 CO 0.75 0.45 1.00 -0.63 -0.69 0.00 0.00 174.62 175.51 1jya s ILE 23 N 1.35 4.46 0.72 1.82 1.01 -1.26 -5.03 121.20 124.26 1jya s ILE 23 Ca 0.04 1.22 -0.11 0.00 0.00 0.00 0.00 60.65 61.80 1jya s ILE 23 Cb -0.14 -4.43 0.02 0.00 0.01 0.00 0.00 42.46 37.92 1jya s ILE 23 CO -0.09 -0.70 1.07 -1.61 0.00 0.00 0.00 174.94 173.61 1jya s GLU 24 N 3.80 2.75 0.47 2.79 0.41 -1.26 -4.96 118.70 122.70 1jya s GLU 24 Ca 0.42 0.91 0.13 0.00 -0.41 0.00 0.00 54.97 56.02 1jya s GLU 24 Cb -0.10 -1.97 1.08 0.00 -1.78 0.00 0.00 34.13 31.36 1jya s GLU 24 CO 0.23 -1.22 2.08 -1.00 -0.49 0.00 0.00 175.26 174.86 1jya h PRO 25 N -0.80 0.15 -5.49 0.39 0.13 -1.96 -3.40 132.00 121.02 1jya h PRO 25 Ca -0.44 -0.01 -0.68 0.00 -0.87 0.00 0.00 66.00 63.99 1jya h PRO 25 Cb 1.22 -0.03 -0.32 0.00 0.13 0.00 0.00 31.00 32.00 1jya h PRO 25 CO 0.57 0.15 -0.87 0.08 -0.23 0.00 0.00 178.00 177.70 1jya s VAL 26 N -5.08 2.16 -0.17 1.56 1.01 -1.26 -4.10 120.40 114.52 1jya s VAL 26 Ca -0.06 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 60.94 1jya s VAL 26 Cb 0.17 -1.82 0.02 0.00 0.00 0.00 0.00 36.38 34.75 1jya s VAL 26 CO 0.69 0.56 -0.20 -0.63 0.00 0.00 0.00 175.10 175.52 1jya s ILE 27 N 0.22 2.06 0.17 2.22 -1.09 0.24 -4.94 121.20 120.09 1jya s ILE 27 Ca -0.15 -0.95 0.03 0.00 -2.23 0.00 0.00 60.65 57.36 1jya s ILE 27 Cb -0.17 -1.85 -0.03 0.00 -1.58 0.00 0.00 42.46 38.83 1jya s ILE 27 CO 0.08 0.54 0.28 -0.83 -1.23 0.00 0.00 174.94 173.78 1jya s GLY 28 N 1.19 1.59 -0.06 6.18 0.00 -1.26 -1.54 107.32 113.42 1jya s GLY 28 Ca 0.02 -1.10 -0.03 0.00 0.00 0.00 0.00 44.72 43.61 1jya s GLY 28 CO -0.11 -1.11 0.13 0.14 0.00 0.00 0.00 173.10 172.16 1jya s VAL 29 N -1.81 -0.04 -0.27 1.40 1.01 0.51 -4.99 120.40 116.22 1jya s VAL 29 Ca 0.34 0.14 -0.10 0.00 0.00 0.00 0.00 61.98 62.36 1jya s VAL 29 Cb -0.10 -0.21 -0.04 0.00 0.00 0.00 0.00 36.38 36.02 1jya s VAL 29 CO 0.28 0.06 0.16 -0.75 0.00 0.00 0.00 175.10 174.84 1jya s LYS 30 N 0.88 3.85 -0.23 2.72 2.47 -1.26 -0.20 119.74 127.97 1jya s LYS 30 Ca -0.07 -0.37 0.02 0.00 -1.56 0.00 0.00 55.97 53.99 1jya s LYS 30 Cb -0.09 -3.57 0.05 0.00 -1.46 0.00 0.00 37.83 32.77 1jya s LYS 30 CO -0.04 -0.19 -0.11 0.08 0.16 0.00 0.00 175.35 175.25 1jya s VAL 31 N 1.72 1.92 0.00 4.02 1.01 -0.49 -4.99 120.40 123.58 1jya s VAL 31 Ca 0.07 -1.35 0.00 0.00 0.00 0.00 0.00 61.98 60.70 1jya s VAL 31 Cb -0.16 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.20 1jya s VAL 31 CO 0.09 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.86 1jya n GLY 32 N 4.55 3.76 1.36 4.51 0.00 -1.26 -1.17 105.19 116.94 1jya n GLY 32 Ca -0.14 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 45.94 1jya n GLY 32 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1jya n GLU 33 N 13.70 3.61 -4.15 1.61 0.28 -1.26 -4.92 120.64 129.51 1jya n GLU 33 Ca 0.00 -2.80 -0.34 0.00 -0.16 0.00 0.00 57.16 53.86 1jya n GLU 33 Cb 0.00 -1.85 -0.15 0.00 1.43 0.00 0.00 31.44 30.88 1jya n GLU 33 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1jya s PHE 34 N -2.04 2.85 -0.25 -1.84 0.40 -0.32 -5.08 117.98 111.71 1jya s PHE 34 Ca 0.46 -1.17 -0.21 0.00 -0.60 0.00 0.00 56.93 55.40 1jya s PHE 34 Cb 0.31 -1.99 -0.02 0.00 0.51 0.00 0.00 43.02 41.84 1jya s PHE 34 CO 0.19 -0.60 0.68 0.00 0.70 0.00 0.00 175.22 176.20 1jya s ALA 35 N 1.22 3.62 -0.04 5.36 0.00 -1.26 -1.40 121.76 129.26 1jya s ALA 35 Ca 0.02 -0.35 0.02 0.00 0.00 0.00 0.00 51.96 51.66 1jya s ALA 35 Cb -0.14 -3.10 -0.03 0.00 0.00 0.00 0.00 23.12 19.85 1jya s ALA 35 CO -0.05 -0.84 -0.08 0.00 0.00 0.00 0.00 175.76 174.78 1jya s HIS 37 N -0.86 2.68 -0.07 0.00 3.76 0.02 -0.36 115.29 120.46 1jya s HIS 37 Ca 0.14 -0.35 0.04 0.00 -0.15 0.00 0.00 55.06 54.74 1jya s HIS 37 Cb -0.11 -1.67 -0.00 0.00 1.11 0.00 0.00 32.58 31.91 1jya s HIS 37 CO 0.03 0.04 -0.21 0.42 -0.85 0.00 0.00 174.74 174.17 1jya s ILE 38 N -0.41 1.75 0.20 0.60 1.01 -0.59 -1.16 121.20 122.62 1jya s ILE 38 Ca 0.04 -0.87 -0.19 0.00 0.00 0.00 0.00 60.65 59.63 1jya s ILE 38 Cb -0.12 -1.51 0.03 0.00 0.01 0.00 0.00 42.46 40.87 1jya s ILE 38 CO 0.02 0.49 0.57 0.28 0.00 0.00 0.00 174.94 176.30 1jya s THR 39 N 0.19 0.02 -0.44 2.92 -1.32 -0.03 0.83 115.64 117.80 1jya s THR 39 Ca -0.11 -0.69 -0.16 0.00 -1.21 0.00 0.00 61.69 59.52 1jya s THR 39 Cb -0.15 -1.56 0.04 0.00 -1.51 0.00 0.00 72.50 69.32 1jya s THR 39 CO 0.05 -0.07 0.41 -0.70 -2.21 0.00 0.00 174.62 172.09 1jya s GLU 40 N -3.86 3.03 -0.30 7.08 2.12 -1.26 0.09 118.70 125.60 1jya s GLU 40 Ca 0.08 -1.03 -0.08 0.00 0.36 0.00 0.00 54.97 54.30 1jya s GLU 40 Cb -0.02 -4.04 0.14 0.00 0.26 0.00 0.00 34.13 30.48 1jya s GLU 40 CO -0.03 -0.92 0.65 -1.58 -0.54 0.00 0.00 175.26 172.84 1jya s HIS 41 N 1.91 -1.39 0.38 5.30 2.46 -0.17 -4.53 115.29 119.25 1jya s HIS 41 Ca 0.08 2.17 -0.06 0.00 0.47 0.00 0.00 55.06 57.71 1jya s HIS 41 Cb -0.20 0.75 0.09 0.00 -0.13 0.00 0.00 32.58 33.09 1jya s HIS 41 CO 0.10 -0.71 0.44 -0.35 -2.47 0.00 0.00 174.74 171.75 1jya n PRO 42 N 5.44 -0.99 -1.64 2.88 -0.04 -1.26 -4.53 135.00 134.86 1jya n PRO 42 Ca -0.09 -0.69 -0.47 0.00 -0.04 0.00 0.00 63.50 62.21 1jya n PRO 42 Cb 0.50 -0.53 -0.03 0.00 -0.04 0.00 0.00 33.50 33.40 1jya n PRO 42 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1jya n VAL 43 N -2.93 0.83 -0.49 0.52 0.31 -1.26 -1.29 118.33 114.01 1jya n VAL 43 Ca 0.06 -0.21 0.00 0.00 -0.01 0.00 0.00 64.34 64.18 1jya n VAL 43 Cb 0.21 -1.23 0.00 0.00 -0.91 0.00 0.00 33.84 31.90 1jya n VAL 43 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1jya n GLY 44 N 2.20 0.84 3.11 2.92 0.00 -1.26 -5.04 105.19 107.95 1jya n GLY 44 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 1jya n GLY 44 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1jya s GLN 45 N -0.46 1.70 -0.37 1.61 -1.52 -0.41 -0.44 119.66 119.77 1jya s GLN 45 Ca 0.00 -0.55 -0.16 0.00 -1.95 0.00 0.00 55.36 52.70 1jya s GLN 45 Cb 0.00 -1.47 -0.00 0.00 -0.22 0.00 0.00 33.01 31.32 1jya s GLN 45 CO 0.00 0.20 0.39 0.42 -0.25 0.00 0.00 175.29 176.04 1jya s ILE 46 N 0.14 5.14 0.54 1.08 -1.09 0.60 -1.00 121.20 126.61 1jya s ILE 46 Ca -0.05 -0.10 0.07 0.00 -2.23 0.00 0.00 60.65 58.34 1jya s ILE 46 Cb -0.12 -3.90 0.07 0.00 -1.58 0.00 0.00 42.46 36.94 1jya s ILE 46 CO 0.02 -0.21 0.60 -0.11 -1.23 0.00 0.00 174.94 174.02 1jya n LEU 47 N 5.45 0.00 0.00 2.97 7.94 0.11 -1.96 117.00 131.51 1jya n LEU 47 Ca -0.09 -2.52 0.00 0.00 -1.11 0.00 0.00 56.01 52.30 1jya n LEU 47 Cb 0.49 -0.25 0.00 0.00 0.53 0.00 0.00 43.42 44.19 1jya n LEU 47 CO 0.42 -0.64 0.00 2.22 -1.11 0.00 0.00 177.39 178.28 1jya n PHE 49 N -1.99 0.00 -4.06 1.96 1.16 -0.31 -0.85 117.46 113.37 1jya n PHE 49 Ca 0.08 0.00 -0.08 0.00 -1.87 0.00 0.00 57.45 55.58 1jya n PHE 49 Cb 0.58 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.35 1jya n PHE 49 CO 0.00 0.00 0.00 -0.08 -1.87 0.00 0.00 176.76 174.81 1jya s THR 50 N -2.00 0.19 -0.56 1.97 -1.32 -0.26 -0.80 115.64 112.85 1jya s THR 50 Ca 0.00 -1.71 -0.05 0.00 -1.21 0.00 0.00 61.69 58.72 1jya s THR 50 Cb 0.00 -1.58 0.15 0.00 -1.51 0.00 0.00 72.50 69.56 1jya s THR 50 CO 0.00 -0.84 0.40 -0.76 -2.21 0.00 0.00 174.62 171.20 1jya s LEU 51 N -2.93 5.47 0.77 9.08 1.02 -1.26 -1.46 118.68 129.37 1jya s LEU 51 Ca 0.09 -2.46 -0.11 0.00 0.02 0.00 0.00 54.13 51.67 1jya s LEU 51 Cb 0.07 -1.91 0.06 0.00 0.02 0.00 0.00 46.19 44.43 1jya s LEU 51 CO -0.08 -0.49 1.14 -2.16 0.02 0.00 0.00 176.35 174.78 1jya s PRO 52 N 0.52 2.21 -0.25 1.29 0.04 -1.26 -4.94 135.00 132.60 1jya s PRO 52 Ca 0.13 0.16 -0.04 0.00 0.04 0.00 0.00 61.00 61.29 1jya s PRO 52 Cb -0.21 -1.99 0.01 0.00 0.04 0.00 0.00 34.50 32.35 1jya s PRO 52 CO -0.04 -1.42 -0.01 -1.12 0.04 0.00 0.00 177.00 174.45 1jya s SER 53 N -4.52 4.55 0.50 6.66 0.01 -1.26 -4.59 113.70 115.05 1jya s SER 53 Ca 0.61 -0.68 -0.04 0.00 1.31 0.00 0.00 55.95 57.15 1jya s SER 53 Cb -0.11 -1.75 -0.02 0.00 0.21 0.00 0.00 66.02 64.35 1jya s SER 53 CO 0.49 -0.11 0.78 -0.76 0.41 0.00 0.00 173.24 174.05 1jya s LEU 54 N 1.42 3.54 -0.31 2.44 1.43 -1.26 -4.78 118.68 121.16 1jya s LEU 54 Ca 0.03 0.72 -0.24 0.00 -1.03 0.00 0.00 54.13 53.61 1jya s LEU 54 Cb -0.16 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.44 1jya s LEU 54 CO -0.02 -0.72 0.81 -0.62 0.23 0.00 0.00 176.35 176.02 1jya s ASP 55 N -4.18 6.68 0.31 2.29 -1.08 -1.26 -4.92 116.67 114.51 1jya s ASP 55 Ca 0.49 0.69 0.20 0.00 -0.52 0.00 0.00 52.55 53.41 1jya s ASP 55 Cb -0.10 -2.42 1.07 0.00 -1.46 0.00 0.00 42.92 40.02 1jya s ASP 55 CO 0.43 -0.63 1.59 0.59 0.52 0.00 0.00 175.17 177.68 1jya n ASN 56 N 6.24 0.51 0.21 -0.34 3.02 -1.26 -1.40 115.26 122.24 1jya n ASN 56 Ca 0.04 0.73 0.11 0.00 -0.03 0.00 0.00 54.58 55.43 1jya n ASN 56 Cb 0.48 -0.78 0.18 0.00 -0.61 0.00 0.00 39.78 39.05 1jya n ASN 56 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 1jya h ASN 57 N 0.00 0.00 -2.88 6.41 -0.26 -2.03 -3.45 115.58 113.37 1jya h ASN 57 Ca 0.00 0.00 -0.54 0.00 -0.56 0.00 0.00 56.30 55.20 1jya h ASN 57 Cb 0.08 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.34 1jya h ASN 57 CO 0.00 0.05 0.85 -1.81 -1.06 0.00 0.00 177.43 175.46 1jya s ASP 58 N -6.21 6.80 0.76 5.81 1.01 -0.50 -5.02 116.67 119.32 1jya s ASP 58 Ca 0.06 2.21 -0.10 0.00 0.71 0.00 0.00 52.55 55.44 1jya s ASP 58 Cb 0.05 -2.56 0.06 0.00 1.01 0.00 0.00 42.92 41.48 1jya s ASP 58 CO 0.67 -0.74 1.11 -1.61 0.21 0.00 0.00 175.17 174.81 1jya s GLU 59 N 2.28 2.16 0.20 8.23 2.02 -1.26 -4.83 118.70 127.51 1jya s GLU 59 Ca 0.66 0.02 -0.16 0.00 0.02 0.00 0.00 54.97 55.51 1jya s GLU 59 Cb -0.34 -2.04 0.20 0.00 0.10 0.00 0.00 34.13 32.05 1jya s GLU 59 CO 0.28 -1.39 1.61 -0.22 0.02 0.00 0.00 175.26 175.56 1jya h LYS 60 N -0.83 -0.06 -0.29 1.61 3.64 -2.00 -1.12 116.57 117.51 1jya h LYS 60 Ca -0.45 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 58.87 1jya h LYS 60 Cb 1.32 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 33.13 1jya h LYS 60 CO 0.64 -0.04 -0.09 0.93 -2.27 0.00 0.00 179.45 178.61 1jya h GLU 61 N -0.07 0.47 -0.43 1.90 3.07 -1.99 -2.19 114.58 115.35 1jya h GLU 61 Ca 0.28 -0.12 -0.11 0.00 -0.50 0.00 0.00 59.36 58.91 1jya h GLU 61 Cb 0.50 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 28.34 1jya h GLU 61 CO -0.65 0.57 -0.15 1.15 -1.40 0.00 0.00 179.01 178.53 1jya h THR 62 N 0.44 1.27 -0.26 1.13 2.02 -1.60 -2.16 112.91 113.76 1jya h THR 62 Ca 0.09 -1.28 -0.11 0.00 0.77 0.00 0.00 66.41 65.88 1jya h THR 62 Cb 0.44 1.19 -0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1jya h THR 62 CO 0.02 0.43 -0.27 -0.07 0.37 0.00 0.00 175.52 176.01 1jya h LEU 63 N 0.69 0.69 -1.32 2.58 3.38 -1.22 -3.15 115.31 116.96 1jya h LEU 63 Ca 0.10 -0.48 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 1jya h LEU 63 Cb 0.70 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1jya h LEU 63 CO 0.05 1.02 -0.09 -0.07 0.09 0.00 0.00 178.44 179.45 1jya h LEU 64 N 0.37 0.00 -1.83 1.67 3.38 -1.41 -2.73 115.31 114.75 1jya h LEU 64 Ca 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 1jya h LEU 64 Cb 0.83 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 1jya h LEU 64 CO 0.07 0.09 -0.01 0.77 0.09 0.00 0.00 178.44 179.45 1jya h SER 65 N 0.00 0.00 0.83 -0.43 4.64 -1.34 -1.74 113.55 115.51 1jya h SER 65 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jya h SER 65 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 1jya h SER 65 CO 0.01 0.01 0.00 0.45 -0.87 0.00 0.00 176.83 176.43 1jya h HIS 66 N 0.00 0.00 -0.02 4.77 3.86 -1.59 -3.15 115.15 119.03 1jya h HIS 66 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1jya h HIS 66 Cb 0.39 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.86 1jya h HIS 66 CO 0.00 0.00 -0.14 0.09 0.86 0.00 0.00 177.93 178.74 1jya n ASN 67 N -2.68 1.94 -4.75 2.45 5.03 -0.65 -4.83 115.26 111.77 1jya n ASN 67 Ca 0.01 -1.53 -0.38 0.00 0.87 0.00 0.00 54.58 53.56 1jya n ASN 67 Cb 0.26 0.12 0.05 0.00 -1.02 0.00 0.00 39.78 39.18 1jya n ASN 67 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 1jya s ILE 68 N -2.19 2.16 0.69 2.41 1.10 -1.19 -4.95 121.20 119.24 1jya s ILE 68 Ca 0.29 0.11 -0.15 0.00 -0.51 0.00 0.00 60.65 60.40 1jya s ILE 68 Cb 0.20 -3.05 0.02 0.00 0.15 0.00 0.00 42.46 39.77 1jya s ILE 68 CO 0.41 -0.01 1.14 0.72 -2.11 0.00 0.00 174.94 175.08 1jya s PHE 69 N -1.37 2.42 0.06 3.50 -0.12 -1.26 -5.05 117.98 116.16 1jya s PHE 69 Ca 0.75 1.58 0.00 0.00 -0.05 0.00 0.00 56.93 59.21 1jya s PHE 69 Cb -0.38 -3.25 -0.00 0.00 -0.63 0.00 0.00 43.02 38.75 1jya s PHE 69 CO 0.43 -1.99 0.06 -1.13 -0.05 0.00 0.00 175.22 172.54 1jya n SER 70 N -2.63 -0.17 0.11 1.98 3.41 -1.26 -5.04 113.62 110.02 1jya n SER 70 Ca 0.11 -1.34 0.13 0.00 -0.26 0.00 0.00 58.87 57.51 1jya n SER 70 Cb 0.52 0.35 0.41 0.00 -0.26 0.00 0.00 64.21 65.23 1jya n SER 70 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jya n GLN 71 N -0.10 0.26 -3.40 4.33 6.02 -1.26 -4.61 117.38 118.61 1jya n GLN 71 Ca 0.01 0.25 -0.44 0.00 -0.01 0.00 0.00 57.00 56.80 1jya n GLN 71 Cb 0.10 -1.82 -0.08 0.00 1.02 0.00 0.00 30.24 29.46 1jya n GLN 71 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1jya s ASP 72 N -4.53 6.14 0.00 1.08 -1.08 -1.26 -4.94 116.67 112.08 1jya s ASP 72 Ca 0.10 -1.23 0.13 0.00 -0.52 0.00 0.00 52.55 51.03 1jya s ASP 72 Cb 0.12 -2.18 0.70 0.00 -1.46 0.00 0.00 42.92 40.09 1jya s ASP 72 CO 0.57 -0.61 1.32 2.30 0.52 0.00 0.00 175.17 179.28 1jya n ILE 73 N 5.20 0.53 0.92 4.11 -5.35 -1.26 -1.66 119.36 121.85 1jya n ILE 73 Ca -0.12 0.13 0.12 0.00 -0.27 0.00 0.00 62.75 62.61 1jya n ILE 73 Cb 0.44 -0.91 0.23 0.00 -1.74 0.00 0.00 39.64 37.66 1jya n ILE 73 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1jya n LEU 74 N -1.23 2.75 -4.71 7.28 4.77 -1.26 -4.76 117.00 119.84 1jya n LEU 74 Ca 0.07 -1.02 -0.42 0.00 -0.03 0.00 0.00 56.01 54.61 1jya n LEU 74 Cb 0.09 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 1jya n LEU 74 CO 0.10 0.51 1.42 -0.75 -1.33 0.00 0.00 177.39 177.34 1jya s LYS 75 N -1.84 4.13 0.61 3.23 2.20 -0.66 -4.64 119.74 122.76 1jya s LYS 75 Ca 0.33 2.61 -0.16 0.00 -0.36 0.00 0.00 55.97 58.40 1jya s LYS 75 Cb 0.21 -3.29 -0.03 0.00 -1.51 0.00 0.00 37.83 33.21 1jya s LYS 75 CO 0.31 -0.80 1.07 -1.25 -0.36 0.00 0.00 175.35 174.32 1jya s PRO 76 N 1.84 3.18 -0.17 4.03 0.04 -1.26 -4.85 135.00 137.80 1jya s PRO 76 Ca 0.78 1.26 -0.07 0.00 0.04 0.00 0.00 61.00 63.01 1jya s PRO 76 Cb -0.48 -2.01 -0.04 0.00 0.04 0.00 0.00 34.50 32.01 1jya s PRO 76 CO 0.34 -0.93 0.06 0.42 0.04 0.00 0.00 177.00 176.93 1jya s ILE 77 N -2.41 4.82 -0.14 0.56 -1.09 0.15 -4.81 121.20 118.29 1jya s ILE 77 Ca 0.65 -0.03 -0.18 0.00 -2.23 0.00 0.00 60.65 58.86 1jya s ILE 77 Cb -0.17 -3.16 -0.04 0.00 -1.58 0.00 0.00 42.46 37.51 1jya s ILE 77 CO 0.38 0.48 0.47 -0.22 -1.23 0.00 0.00 174.94 174.82 1jya s LEU 78 N 0.18 4.25 0.00 2.97 2.96 -1.26 -1.35 118.68 126.42 1jya s LEU 78 Ca 0.05 0.76 0.04 0.00 -0.22 0.00 0.00 54.13 54.76 1jya s LEU 78 Cb -0.12 -2.66 -0.02 0.00 0.50 0.00 0.00 46.19 43.89 1jya s LEU 78 CO 0.00 -0.02 0.19 -1.54 -1.32 0.00 0.00 176.35 173.67 1jya n SER 79 N 3.86 -0.50 -3.92 3.68 3.41 0.36 -4.97 113.62 115.55 1jya n SER 79 Ca -0.07 -2.39 -0.15 0.00 -0.26 0.00 0.00 58.87 56.00 1jya n SER 79 Cb 0.51 1.13 -0.14 0.00 -0.26 0.00 0.00 64.21 65.45 1jya n SER 79 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 1jya s TRP 80 N -2.94 0.34 -0.49 7.33 -0.11 -1.26 -1.00 118.94 120.80 1jya s TRP 80 Ca 0.25 -0.06 -0.16 0.00 1.22 0.00 0.00 56.10 57.35 1jya s TRP 80 Cb 0.01 -0.24 0.08 0.00 -1.50 0.00 0.00 33.47 31.82 1jya s TRP 80 CO 0.18 -0.02 0.43 0.34 -4.62 0.00 0.00 176.95 173.26 1jya s ASP 81 N 0.03 6.16 0.40 5.86 -1.08 -0.12 -4.91 116.67 123.02 1jya s ASP 81 Ca 0.00 -1.35 0.07 0.00 -0.52 0.00 0.00 52.55 50.75 1jya s ASP 81 Cb -0.03 -2.20 0.83 0.00 -1.46 0.00 0.00 42.92 40.06 1jya s ASP 81 CO -0.00 -0.70 2.05 1.05 0.52 0.00 0.00 175.17 178.08 1jya h GLU 82 N 8.80 0.58 -0.01 4.34 4.11 -1.97 0.25 114.58 130.68 1jya h GLU 82 Ca -0.29 -0.04 -0.05 0.00 0.07 0.00 0.00 59.36 59.06 1jya h GLU 82 Cb 1.11 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.23 1jya h GLU 82 CO 0.91 0.39 -0.20 0.28 0.07 0.00 0.00 179.01 180.45 1jya h VAL 83 N 0.60 1.54 0.00 -1.06 2.07 -1.96 -3.26 116.25 114.17 1jya h VAL 83 Ca 0.17 -1.86 -0.06 0.00 0.82 0.00 0.00 66.70 65.78 1jya h VAL 83 Cb -0.04 2.70 -0.01 0.00 -1.52 0.00 0.00 31.29 32.43 1jya h VAL 83 CO -0.04 0.51 -0.27 1.23 0.02 0.00 0.00 177.57 179.02 1jya h GLY 84 N -0.51 0.00 -3.48 2.17 0.00 -1.97 -3.47 103.07 95.81 1jya h GLY 84 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.14 1jya h GLY 84 CO 0.04 0.00 -0.34 0.61 0.00 0.00 0.00 176.54 176.85 1jya n GLY 85 N 0.34 0.16 3.31 4.60 0.00 0.88 -5.05 105.19 109.44 1jya n GLY 85 Ca 0.00 -0.22 -0.10 0.00 0.00 0.00 0.00 46.02 45.70 1jya n GLY 85 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1jya s HIS 86 N -3.16 -0.08 0.61 1.61 -3.43 -1.14 -5.01 115.29 104.71 1jya s HIS 86 Ca 0.14 -0.27 -0.12 0.00 -0.80 0.00 0.00 55.06 54.01 1jya s HIS 86 Cb -0.06 0.18 -0.04 0.00 -1.43 0.00 0.00 32.58 31.23 1jya s HIS 86 CO 0.34 -0.69 1.03 -1.25 -2.00 0.00 0.00 174.74 172.17 1jya s PRO 87 N -3.84 3.58 -0.04 -0.38 0.04 -1.26 -0.95 135.00 132.15 1jya s PRO 87 Ca 0.05 0.81 -0.00 0.00 0.04 0.00 0.00 61.00 61.89 1jya s PRO 87 Cb 0.02 -2.08 0.03 0.00 0.04 0.00 0.00 34.50 32.51 1jya s PRO 87 CO -0.10 -0.59 0.01 0.08 0.04 0.00 0.00 177.00 176.45 1jya s VAL 88 N -3.07 0.14 -0.12 -0.36 1.01 -0.17 -4.26 120.40 113.56 1jya s VAL 88 Ca 0.56 0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.69 1jya s VAL 88 Cb -0.11 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.96 1jya s VAL 88 CO 0.51 0.17 -0.05 -0.22 0.00 0.00 0.00 175.10 175.50 1jya s LEU 89 N 1.44 3.19 0.12 3.92 2.96 -0.54 -0.48 118.68 129.29 1jya s LEU 89 Ca -0.04 -0.10 -0.14 0.00 -0.22 0.00 0.00 54.13 53.63 1jya s LEU 89 Cb -0.13 -1.74 0.03 0.00 0.50 0.00 0.00 46.19 44.85 1jya s LEU 89 CO -0.03 0.24 0.36 -1.66 -1.32 0.00 0.00 176.35 173.94 1jya s TRP 90 N -0.06 -0.11 0.22 5.38 1.48 -0.46 -1.11 118.94 124.29 1jya s TRP 90 Ca 0.01 -0.23 -0.06 0.00 -1.06 0.00 0.00 56.10 54.76 1jya s TRP 90 Cb -0.13 0.19 -0.03 0.00 -1.16 0.00 0.00 33.47 32.34 1jya s TRP 90 CO 0.03 -0.67 0.27 0.54 -4.06 0.00 0.00 176.95 173.06 1jya s ASN 91 N -2.82 0.08 0.03 -2.66 2.20 -1.26 0.33 114.94 110.84 1jya s ASN 91 Ca 0.04 -1.21 -0.28 0.00 -0.94 0.00 0.00 52.86 50.47 1jya s ASN 91 Cb 0.02 0.47 0.07 0.00 -2.00 0.00 0.00 41.25 39.81 1jya s ASN 91 CO -0.11 -0.97 0.64 -0.60 -2.94 0.00 0.00 177.10 173.12 1jya s ARG 92 N -4.08 1.14 0.08 3.55 3.52 -1.26 -4.52 118.95 117.39 1jya s ARG 92 Ca 0.32 -0.04 -0.22 0.00 -0.13 0.00 0.00 55.73 55.67 1jya s ARG 92 Cb 0.04 0.53 0.05 0.00 -1.56 0.00 0.00 34.95 34.02 1jya s ARG 92 CO 0.11 -0.42 0.52 1.14 -0.81 0.00 0.00 175.30 175.84 1jya s GLN 93 N -2.22 1.10 0.32 5.12 -2.07 -0.83 -4.84 119.66 116.25 1jya s GLN 93 Ca -0.06 -0.35 -0.29 0.00 -1.82 0.00 0.00 55.36 52.84 1jya s GLN 93 Cb -0.00 0.50 -0.10 0.00 -1.09 0.00 0.00 33.01 32.31 1jya s GLN 93 CO 0.01 -0.42 1.40 -2.14 -1.32 0.00 0.00 175.29 172.82 1jya s PRO 94 N -2.93 4.25 0.24 9.60 0.02 -1.26 -0.29 135.00 144.63 1jya s PRO 94 Ca -0.03 2.36 0.06 0.00 0.02 0.00 0.00 61.00 63.41 1jya s PRO 94 Cb -0.00 -3.05 0.25 0.00 0.02 0.00 0.00 34.50 31.72 1jya s PRO 94 CO -0.06 -0.36 1.55 1.25 -0.33 0.00 0.00 177.00 179.06 1jya h LEU 95 N 3.71 0.21 0.00 -5.54 5.85 -1.08 -3.22 115.31 115.25 1jya h LEU 95 Ca -0.49 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.11 1jya h LEU 95 Cb 1.23 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.20 1jya h LEU 95 CO 0.68 0.79 0.00 -0.46 -0.34 0.00 0.00 178.44 179.11 1jya n ASN 96 N -3.84 0.00 -0.29 1.25 0.23 -1.26 -3.24 115.26 108.11 1jya n ASN 96 Ca -0.02 0.19 0.08 0.00 -0.53 0.00 0.00 54.58 54.29 1jya n ASN 96 Cb 0.63 -0.36 0.13 0.00 -2.08 0.00 0.00 39.78 38.11 1jya n ASN 96 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1jya n SER 97 N -1.36 1.89 -4.78 0.53 3.41 -1.21 -4.98 113.62 107.11 1jya n SER 97 Ca 0.07 -3.09 -0.34 0.00 -0.26 0.00 0.00 58.87 55.25 1jya n SER 97 Cb 0.17 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.71 1jya n SER 97 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1jya s LEU 98 N -2.51 3.67 0.00 1.04 1.43 -1.20 -5.04 118.68 116.07 1jya s LEU 98 Ca 0.30 2.04 0.00 0.00 -1.03 0.00 0.00 54.13 55.44 1jya s LEU 98 Cb 0.27 -4.56 -0.00 0.00 0.03 0.00 0.00 46.19 41.92 1jya s LEU 98 CO -0.00 -1.20 0.01 0.47 0.23 0.00 0.00 176.35 175.86 1jya n ASP 99 N -1.54 3.15 -0.33 2.29 8.00 -1.26 -5.00 116.55 121.87 1jya n ASP 99 Ca 0.10 -3.15 0.08 0.00 0.71 0.00 0.00 54.79 52.54 1jya n ASP 99 Cb 0.52 0.41 0.28 0.00 -0.02 0.00 0.00 41.12 42.31 1jya n ASP 99 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 1jya h ASN 100 N 1.22 0.85 -0.41 -2.24 -1.24 -2.04 -2.85 115.58 108.87 1jya h ASN 100 Ca -0.40 0.04 0.00 0.00 0.71 0.00 0.00 56.30 56.65 1jya h ASN 100 Cb 1.23 -0.13 0.00 0.00 0.73 0.00 0.00 38.32 40.15 1jya h ASN 100 CO 0.66 0.46 0.00 -0.46 -1.29 0.00 0.00 177.43 176.80 1jya n ASN 101 N -4.58 3.11 0.04 1.15 0.23 -1.26 -4.73 115.26 109.22 1jya n ASN 101 Ca 0.18 -2.02 -0.11 0.00 -0.53 0.00 0.00 54.58 52.10 1jya n ASN 101 Cb 0.36 -0.28 -0.05 0.00 -2.08 0.00 0.00 39.78 37.74 1jya n ASN 101 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1jya h SER 102 N 2.38 -0.31 -0.15 0.53 0.02 -1.89 0.40 113.55 114.53 1jya h SER 102 Ca 0.00 0.05 -0.14 0.00 -0.84 0.00 0.00 61.79 60.86 1jya h SER 102 Cb 0.79 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.45 1jya h SER 102 CO 0.01 -0.15 -0.37 -0.07 -1.14 0.00 0.00 176.83 175.10 1jya h LEU 103 N -0.17 0.71 -0.58 5.07 3.38 -1.85 -0.90 115.31 120.98 1jya h LEU 103 Ca 0.05 -0.31 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1jya h LEU 103 Cb 0.23 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 1jya h LEU 103 CO -0.12 1.01 0.31 0.22 0.09 0.00 0.00 178.44 179.95 1jya h TYR 104 N 0.56 0.81 -0.45 1.13 5.03 -1.82 -0.41 116.97 121.82 1jya h TYR 104 Ca 0.05 -0.03 -0.09 0.00 2.58 0.00 0.00 58.73 61.25 1jya h TYR 104 Cb 0.90 -0.26 -0.02 0.00 1.55 0.00 0.00 36.73 38.90 1jya h TYR 104 CO 0.04 0.60 -0.07 1.15 -1.32 0.00 0.00 178.16 178.56 1jya h THR 105 N 0.79 1.25 -0.54 1.81 2.02 -0.74 -0.65 112.91 116.85 1jya h THR 105 Ca 0.20 -1.11 -0.04 0.00 0.77 0.00 0.00 66.41 66.23 1jya h THR 105 Cb 0.07 0.98 -0.02 0.00 -1.74 0.00 0.00 68.15 67.43 1jya h THR 105 CO -0.03 0.39 0.18 -0.61 0.37 0.00 0.00 175.52 175.81 1jya h GLN 106 N 0.73 0.84 -0.56 6.66 4.15 -0.70 -2.83 115.11 123.39 1jya h GLN 106 Ca 0.13 -0.17 -0.10 0.00 0.77 0.00 0.00 58.65 59.27 1jya h GLN 106 Cb 0.54 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.09 1jya h GLN 106 CO 0.03 0.76 -0.06 1.25 -1.93 0.00 0.00 178.83 178.88 1jya h LEU 107 N 0.75 1.01 -1.57 -2.39 5.85 -0.85 -1.13 115.31 116.99 1jya h LEU 107 Ca 0.18 -0.31 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1jya h LEU 107 Cb 0.26 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.02 1jya h LEU 107 CO -0.01 1.10 0.00 1.21 -0.34 0.00 0.00 178.44 180.40 1jya n GLU 108 N -4.16 0.24 0.00 1.25 2.13 -0.27 -1.68 120.64 118.15 1jya n GLU 108 Ca 0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.84 1jya n GLU 108 Cb 0.37 -1.27 0.00 0.00 0.27 0.00 0.00 31.44 30.82 1jya n GLU 108 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1jya n LEU 110 N 0.66 0.00 -0.14 4.31 7.94 -0.43 -0.88 117.00 128.46 1jya n LEU 110 Ca 0.00 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.82 1jya n LEU 110 Cb 0.10 0.00 0.08 0.00 0.53 0.00 0.00 43.42 44.12 1jya n LEU 110 CO 0.00 0.00 0.78 -0.37 -1.11 0.00 0.00 177.39 176.69 1jya h VAL 111 N 0.00 1.26 -0.85 1.96 -1.51 -1.59 -1.11 116.25 114.41 1jya h VAL 111 Ca 0.00 -1.20 0.02 0.00 -1.23 0.00 0.00 66.70 64.29 1jya h VAL 111 Cb 0.00 0.98 -0.05 0.00 -2.13 0.00 0.00 31.29 30.09 1jya h VAL 111 CO 0.00 0.42 0.55 -0.61 -1.23 0.00 0.00 177.57 176.70 1jya h GLN 112 N 0.81 1.07 -0.66 5.19 4.15 -1.26 -0.82 115.11 123.59 1jya h GLN 112 Ca 0.13 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.43 1jya h GLN 112 Cb 0.61 -0.24 -0.03 0.00 0.21 0.00 0.00 27.48 28.03 1jya h GLN 112 CO 0.04 0.71 0.19 0.78 -1.93 0.00 0.00 178.83 178.61 1jya h GLY 113 N 1.10 1.12 1.75 2.39 0.00 -1.67 -0.96 103.07 106.79 1jya h GLY 113 Ca 0.33 -0.68 -0.04 0.00 0.00 0.00 0.00 47.33 46.93 1jya h GLY 113 CO -0.09 0.64 -0.06 0.00 0.00 0.00 0.00 176.54 177.02 1jya h ALA 114 N 1.07 1.51 -0.12 3.60 0.00 -0.52 -2.11 119.26 122.70 1jya h ALA 114 Ca 0.21 -0.18 -0.21 0.00 0.00 0.00 0.00 54.91 54.73 1jya h ALA 114 Cb 0.33 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.02 1jya h ALA 114 CO -0.00 0.35 -0.77 0.93 0.00 0.00 0.00 179.25 179.75 1jya h GLU 115 N 0.31 0.66 0.00 0.00 5.08 -0.66 -3.13 114.58 116.84 1jya h GLU 115 Ca 0.07 -0.54 -0.05 0.00 -1.00 0.00 0.00 59.36 57.83 1jya h GLU 115 Cb 0.31 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1jya h GLU 115 CO 0.01 1.16 -0.23 0.00 -1.00 0.00 0.00 179.01 178.95 1jya h ARG 116 N 0.45 0.00 0.00 2.33 3.08 -0.65 -0.10 114.38 119.48 1jya h ARG 116 Ca -0.05 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1jya h ARG 116 Cb 1.39 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.43 1jya h ARG 116 CO 0.15 0.23 -0.02 -0.07 -1.07 0.00 0.00 179.97 179.19 1jya h LEU 117 N 0.00 0.00 0.00 3.04 3.38 -1.34 -3.52 115.31 116.88 1jya h LEU 117 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jya h LEU 117 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1jya h LEU 117 CO 0.03 0.02 0.00 0.00 0.09 0.00 0.00 178.44 178.58