#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 4.94 0.06 2.98 1.04 -1.26 -4.73 113.70 116.73 1jya s SER 3 Ca 0.00 0.32 -0.24 0.00 0.48 0.00 0.00 55.95 56.51 1jya s SER 3 Cb 0.00 -1.03 -0.16 0.00 0.10 0.00 0.00 66.02 64.93 1jya s SER 3 CO 0.00 -1.47 1.63 0.15 0.98 0.00 0.00 173.24 174.53 1jya h PHE 4 N -0.41 -0.01 -0.46 5.02 3.57 -1.99 -2.25 116.94 120.41 1jya h PHE 4 Ca -0.44 -0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.15 1jya h PHE 4 Cb 1.31 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.95 1jya h PHE 4 CO 0.34 0.11 -0.36 0.93 -2.23 0.00 0.00 178.31 177.10 1jya h GLU 5 N -0.12 -0.23 -0.89 1.11 4.39 -1.96 0.38 114.58 117.26 1jya h GLU 5 Ca -0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1jya h GLU 5 Cb 0.12 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.78 1jya h GLU 5 CO 0.00 -0.16 0.56 1.96 -1.16 0.00 0.00 179.01 180.21 1jya h GLN 6 N -0.24 1.18 0.12 2.33 4.20 -1.94 -1.46 115.11 119.30 1jya h GLN 6 Ca 0.18 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 1jya h GLN 6 Cb 0.55 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 28.08 1jya h GLN 6 CO -0.59 0.81 -0.06 0.00 -0.67 0.00 0.00 178.83 178.32 1jya h ALA 7 N 1.40 -0.16 -0.92 3.87 0.00 -0.49 -2.29 119.26 120.67 1jya h ALA 7 Ca 0.32 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1jya h ALA 7 Cb -0.09 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 1jya h ALA 7 CO -0.06 -0.52 0.60 0.82 0.00 0.00 0.00 179.25 180.09 1jya h ILE 8 N -0.30 1.24 0.43 0.00 1.08 -0.81 -1.69 117.51 117.47 1jya h ILE 8 Ca -0.02 -0.45 -0.01 0.00 -0.39 0.00 0.00 64.86 64.00 1jya h ILE 8 Cb 0.24 -0.11 -0.02 0.00 -3.07 0.00 0.00 36.82 33.86 1jya h ILE 8 CO 0.03 0.23 -0.40 0.74 -0.69 0.00 0.00 178.15 178.06 1jya h THR 9 N 1.26 0.19 -0.51 -0.27 2.02 -1.09 0.62 112.91 115.13 1jya h THR 9 Ca 0.34 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.60 1jya h THR 9 Cb -0.13 0.19 -0.07 0.00 -1.74 0.00 0.00 68.15 66.40 1jya h THR 9 CO -0.07 0.00 0.13 1.56 0.37 0.00 0.00 175.52 177.51 1jya h GLN 10 N -0.84 0.27 -0.27 6.66 1.08 -1.17 -0.17 115.11 120.68 1jya h GLN 10 Ca -0.04 -0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.18 1jya h GLN 10 Cb 0.74 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 28.07 1jya h GLN 10 CO -0.05 0.18 0.07 1.25 -0.95 0.00 0.00 178.83 179.33 1jya h LEU 11 N 0.28 0.04 -1.93 1.46 5.85 -0.98 -0.62 115.31 119.43 1jya h LEU 11 Ca 0.25 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.99 1jya h LEU 11 Cb 0.32 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.39 1jya h LEU 11 CO -0.30 0.06 -0.10 -0.26 -0.34 0.00 0.00 178.44 177.50 1jya h PHE 12 N 0.18 0.00 0.00 1.25 -1.00 -0.21 -1.06 116.94 116.10 1jya h PHE 12 Ca 0.12 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.77 1jya h PHE 12 Cb 0.12 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.66 1jya h PHE 12 CO -0.15 0.10 -0.62 1.96 -1.61 0.00 0.00 178.31 177.99 1jya h GLN 13 N 0.00 0.00 -0.01 1.51 4.20 0.32 0.22 115.11 121.35 1jya h GLN 13 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1jya h GLN 13 Cb 0.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1jya h GLN 13 CO 0.01 0.62 -0.28 1.04 -0.67 0.00 0.00 178.83 179.55 1jya n GLN 14 N -3.34 0.90 -0.09 1.46 6.02 -0.37 -3.62 117.38 118.34 1jya n GLN 14 Ca 0.01 -0.57 0.08 0.00 -0.01 0.00 0.00 57.00 56.50 1jya n GLN 14 Cb 0.74 -1.49 0.12 0.00 1.02 0.00 0.00 30.24 30.63 1jya n GLN 14 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1jya n LEU 15 N -0.55 2.65 -2.27 1.08 4.77 -0.59 -4.95 117.00 117.14 1jya n LEU 15 Ca 0.12 -1.37 -0.17 0.00 -0.03 0.00 0.00 56.01 54.56 1jya n LEU 15 Cb 0.36 -0.12 0.02 0.00 -2.33 0.00 0.00 43.42 41.36 1jya n LEU 15 CO 0.26 0.56 -0.04 -1.20 -1.33 0.00 0.00 177.39 175.64 1jya n SER 16 N 0.88 -5.03 -4.70 -1.43 7.64 -1.15 -5.00 113.62 104.83 1jya n SER 16 Ca 0.12 -0.18 -0.31 0.00 1.01 0.00 0.00 58.87 59.50 1jya n SER 16 Cb 0.43 -3.93 -0.08 0.00 -1.01 0.00 0.00 64.21 59.61 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 -5.12 3.56 0.01 -3.43 1.43 0.77 -5.05 118.68 110.84 1jya s LEU 17 Ca 0.19 -0.08 -0.30 0.00 -1.03 0.00 0.00 54.13 52.91 1jya s LEU 17 Cb -0.08 -2.19 -0.05 0.00 0.03 0.00 0.00 46.19 43.90 1jya s LEU 17 CO 0.23 0.21 1.20 -0.94 0.23 0.00 0.00 176.35 177.29 1jya s SER 18 N -2.04 7.07 -0.16 2.29 1.04 -1.26 -4.29 113.70 116.34 1jya s SER 18 Ca 0.24 1.93 -0.29 0.00 0.48 0.00 0.00 55.95 58.31 1jya s SER 18 Cb -0.12 -2.57 -0.06 0.00 0.10 0.00 0.00 66.02 63.38 1jya s SER 18 CO 0.16 -0.52 2.10 -0.63 0.98 0.00 0.00 173.24 175.33 1jya s ILE 19 N 1.57 3.08 0.28 -1.02 1.01 -1.26 -4.92 121.20 119.94 1jya s ILE 19 Ca 0.58 0.09 -0.30 0.00 0.00 0.00 0.00 60.65 61.01 1jya s ILE 19 Cb -0.27 -3.09 -0.12 0.00 0.01 0.00 0.00 42.46 38.99 1jya s ILE 19 CO 0.26 -0.05 1.63 -2.84 0.00 0.00 0.00 174.94 173.95 1jya s PRO 20 N 5.75 4.11 0.50 2.79 0.02 -1.26 -4.88 135.00 142.02 1jya s PRO 20 Ca 0.95 2.61 0.20 0.00 0.02 0.00 0.00 61.00 64.77 1jya s PRO 20 Cb -0.34 -3.03 1.27 0.00 0.02 0.00 0.00 34.50 32.42 1jya s PRO 20 CO 0.36 -0.67 2.07 -0.44 -0.33 0.00 0.00 177.00 177.99 1jya h ASP 21 N 5.21 0.00 -3.30 2.53 3.32 -2.06 -3.38 116.42 118.73 1jya h ASP 21 Ca -0.46 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.06 1jya h ASP 21 Cb 1.22 0.00 -0.38 0.00 0.22 0.00 0.00 39.33 40.39 1jya h ASP 21 CO 0.83 0.11 -0.78 0.28 -1.72 0.00 0.00 179.24 177.96 1jya s THR 22 N -4.61 0.90 -0.50 0.35 -1.32 -1.26 -5.10 115.64 104.10 1jya s THR 22 Ca -0.04 -0.49 -0.22 0.00 -1.21 0.00 0.00 61.69 59.73 1jya s THR 22 Cb 0.15 -1.12 0.04 0.00 -1.51 0.00 0.00 72.50 70.06 1jya s THR 22 CO 0.65 0.10 0.76 -0.63 -2.21 0.00 0.00 174.62 173.28 1jya s ILE 23 N 1.72 4.67 0.73 5.08 1.01 -1.26 -5.05 121.20 128.10 1jya s ILE 23 Ca 0.01 0.02 -0.12 0.00 0.00 0.00 0.00 60.65 60.56 1jya s ILE 23 Cb -0.15 -4.36 0.03 0.00 0.01 0.00 0.00 42.46 37.99 1jya s ILE 23 CO -0.07 -0.85 1.10 -1.61 0.00 0.00 0.00 174.94 173.50 1jya s GLU 24 N 3.19 2.47 0.32 2.79 2.02 -1.26 -4.94 118.70 123.29 1jya s GLU 24 Ca 0.24 1.24 0.03 0.00 0.02 0.00 0.00 54.97 56.50 1jya s GLU 24 Cb -0.15 -1.92 0.61 0.00 0.10 0.00 0.00 34.13 32.77 1jya s GLU 24 CO 0.17 -1.49 1.92 -1.00 0.02 0.00 0.00 175.26 174.88 1jya h PRO 25 N -0.70 0.90 -4.73 0.39 0.13 -1.96 -3.35 132.00 122.68 1jya h PRO 25 Ca -0.45 -0.05 -0.66 0.00 -0.87 0.00 0.00 66.00 63.97 1jya h PRO 25 Cb 1.24 -0.20 -0.38 0.00 0.13 0.00 0.00 31.00 31.78 1jya h PRO 25 CO 0.52 0.59 -0.77 0.08 -0.23 0.00 0.00 178.00 178.20 1jya s VAL 26 N -5.82 2.13 0.03 1.56 1.01 -1.26 -4.23 120.40 113.82 1jya s VAL 26 Ca -0.11 -1.87 -0.17 0.00 0.00 0.00 0.00 61.98 59.83 1jya s VAL 26 Cb 0.20 -2.39 -0.06 0.00 0.00 0.00 0.00 36.38 34.13 1jya s VAL 26 CO 0.79 -0.27 0.49 -0.63 0.00 0.00 0.00 175.10 175.48 1jya s ILE 27 N 1.06 4.89 -0.13 2.22 1.01 0.29 -4.87 121.20 125.66 1jya s ILE 27 Ca -0.01 1.03 -0.01 0.00 0.00 0.00 0.00 60.65 61.66 1jya s ILE 27 Cb -0.19 -3.81 -0.02 0.00 0.01 0.00 0.00 42.46 38.45 1jya s ILE 27 CO -0.07 0.56 -0.10 -0.83 0.00 0.00 0.00 174.94 174.51 1jya s GLY 28 N -1.06 1.61 -0.08 6.18 0.00 -1.26 0.44 107.32 113.15 1jya s GLY 28 Ca 0.26 -0.87 -0.00 0.00 0.00 0.00 0.00 44.72 44.12 1jya s GLY 28 CO 0.16 -0.20 -0.05 -1.34 0.00 0.00 0.00 173.10 171.67 1jya s VAL 29 N 0.25 0.72 -0.29 1.40 -7.23 0.88 -4.98 120.40 111.14 1jya s VAL 29 Ca -0.07 -0.14 -0.18 0.00 -1.81 0.00 0.00 61.98 59.78 1jya s VAL 29 Cb -0.15 -0.77 -0.02 0.00 0.56 0.00 0.00 36.38 36.00 1jya s VAL 29 CO 0.04 0.30 0.53 -0.75 -0.31 0.00 0.00 175.10 174.91 1jya s LYS 30 N 1.50 3.92 -0.34 4.82 2.47 -1.26 -0.70 119.74 130.15 1jya s LYS 30 Ca -0.01 0.17 -0.01 0.00 -1.56 0.00 0.00 55.97 54.56 1jya s LYS 30 Cb -0.13 -3.71 0.08 0.00 -1.46 0.00 0.00 37.83 32.61 1jya s LYS 30 CO -0.04 -0.46 0.08 0.08 0.16 0.00 0.00 175.35 175.16 1jya s VAL 31 N 2.37 3.00 0.00 4.02 1.01 -0.21 -4.97 120.40 125.62 1jya s VAL 31 Ca 0.21 -1.75 0.00 0.00 0.00 0.00 0.00 61.98 60.44 1jya s VAL 31 Cb -0.15 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.33 1jya s VAL 31 CO 0.11 -0.37 0.00 0.61 0.00 0.00 0.00 175.10 175.44 1jya n GLY 32 N 4.56 2.71 0.64 4.51 0.00 -1.26 -1.27 105.19 115.08 1jya n GLY 32 Ca -0.07 -0.27 0.11 0.00 0.00 0.00 0.00 46.02 45.79 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 13.46 1.84 -3.61 1.61 0.28 -1.26 -4.85 120.64 128.11 1jya n GLU 33 Ca 0.00 -1.26 -0.39 0.00 -0.16 0.00 0.00 57.16 55.34 1jya n GLU 33 Cb 0.00 -1.41 -0.11 0.00 1.43 0.00 0.00 31.44 31.35 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 -1.75 3.20 -0.40 -1.84 0.40 -0.40 -5.05 117.98 112.14 1jya s PHE 34 Ca 0.33 -0.46 -0.27 0.00 -0.60 0.00 0.00 56.93 55.93 1jya s PHE 34 Cb 0.18 -2.41 0.02 0.00 0.51 0.00 0.00 43.02 41.33 1jya s PHE 34 CO 0.27 -0.43 0.98 0.00 0.70 0.00 0.00 175.22 176.73 1jya s ALA 35 N 1.65 3.34 -0.07 5.36 0.00 -1.26 -1.04 121.76 129.74 1jya s ALA 35 Ca 0.05 -0.48 -0.02 0.00 0.00 0.00 0.00 51.96 51.51 1jya s ALA 35 Cb -0.17 -3.63 -0.04 0.00 0.00 0.00 0.00 23.12 19.28 1jya s ALA 35 CO 0.08 -1.79 0.04 0.00 0.00 0.00 0.00 175.76 174.08 1jya s HIS 37 N -0.99 2.62 -0.09 0.00 3.76 -0.10 -0.08 115.29 120.41 1jya s HIS 37 Ca 0.16 -0.60 0.04 0.00 -0.15 0.00 0.00 55.06 54.52 1jya s HIS 37 Cb -0.12 -1.69 -0.00 0.00 1.11 0.00 0.00 32.58 31.89 1jya s HIS 37 CO 0.06 -0.14 -0.24 0.42 -0.85 0.00 0.00 174.74 173.99 1jya s ILE 38 N -0.10 2.03 0.25 0.60 1.01 0.17 -1.34 121.20 123.82 1jya s ILE 38 Ca -0.04 -1.01 -0.16 0.00 0.00 0.00 0.00 60.65 59.44 1jya s ILE 38 Cb -0.14 -1.75 0.01 0.00 0.01 0.00 0.00 42.46 40.59 1jya s ILE 38 CO 0.04 0.56 0.57 0.28 0.00 0.00 0.00 174.94 176.38 1jya s THR 39 N 0.26 0.00 -0.44 2.92 -1.32 -0.28 -0.55 115.64 116.24 1jya s THR 39 Ca -0.16 -1.19 -0.16 0.00 -1.21 0.00 0.00 61.69 58.97 1jya s THR 39 Cb -0.17 -2.06 0.04 0.00 -1.51 0.00 0.00 72.50 68.80 1jya s THR 39 CO 0.08 -0.02 0.37 -0.70 -2.21 0.00 0.00 174.62 172.14 1jya s GLU 40 N -3.97 2.99 -0.29 7.08 2.12 -1.26 -0.58 118.70 124.80 1jya s GLU 40 Ca 0.17 -1.12 -0.04 0.00 0.36 0.00 0.00 54.97 54.34 1jya s GLU 40 Cb -0.03 -4.05 0.16 0.00 0.26 0.00 0.00 34.13 30.48 1jya s GLU 40 CO 0.07 -0.90 0.59 -1.58 -0.54 0.00 0.00 175.26 172.90 1jya s HIS 41 N 1.76 -1.42 1.04 5.30 2.46 -0.66 -4.44 115.29 119.33 1jya s HIS 41 Ca 0.06 1.83 -0.18 0.00 0.47 0.00 0.00 55.06 57.24 1jya s HIS 41 Cb -0.21 0.58 0.24 0.00 -0.13 0.00 0.00 32.58 33.06 1jya s HIS 41 CO 0.09 -0.78 1.32 -1.25 -2.47 0.00 0.00 174.74 171.66 1jya s PRO 42 N 2.83 0.04 0.14 2.88 0.04 -1.26 -4.50 135.00 135.17 1jya s PRO 42 Ca 0.11 -0.49 -0.34 0.00 0.04 0.00 0.00 61.00 60.31 1jya s PRO 42 Cb -0.14 -1.78 -0.16 0.00 0.04 0.00 0.00 34.50 32.46 1jya s PRO 42 CO -0.19 -2.81 1.24 0.28 0.04 0.00 0.00 177.00 175.56 1jya n VAL 43 N -4.02 0.56 -0.25 -0.36 0.31 -1.26 -0.93 118.33 112.37 1jya n VAL 43 Ca 0.17 -0.14 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1jya n VAL 43 Cb 0.59 -0.87 0.00 0.00 -0.91 0.00 0.00 33.84 32.65 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 2.23 0.77 3.15 2.92 0.00 -1.26 -5.05 105.19 107.94 1jya n GLY 44 Ca 0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.66 1.39 -0.35 1.61 -1.52 -0.11 -1.22 119.66 118.79 1jya s GLN 45 Ca 0.00 -0.59 -0.14 0.00 -1.95 0.00 0.00 55.36 52.68 1jya s GLN 45 Cb 0.00 -1.32 -0.01 0.00 -0.22 0.00 0.00 33.01 31.46 1jya s GLN 45 CO 0.00 0.34 0.31 0.42 -0.25 0.00 0.00 175.29 176.11 1jya s ILE 46 N -0.34 5.22 0.47 1.08 -1.09 0.01 -1.66 121.20 124.89 1jya s ILE 46 Ca 0.05 -0.18 0.06 0.00 -2.23 0.00 0.00 60.65 58.35 1jya s ILE 46 Cb -0.07 -3.80 0.06 0.00 -1.58 0.00 0.00 42.46 37.07 1jya s ILE 46 CO -0.00 -0.11 0.50 -0.11 -1.23 0.00 0.00 174.94 173.99 1jya n LEU 47 N 5.25 0.00 0.00 2.97 7.94 0.25 -2.20 117.00 131.22 1jya n LEU 47 Ca -0.11 -2.22 0.00 0.00 -1.11 0.00 0.00 56.01 52.57 1jya n LEU 47 Cb 0.49 -0.19 0.00 0.00 0.53 0.00 0.00 43.42 44.25 1jya n LEU 47 CO 0.39 -0.60 0.00 2.22 -1.11 0.00 0.00 177.39 178.29 1jya n PHE 49 N -1.80 0.00 -4.01 1.96 1.16 -0.45 -1.12 117.46 113.20 1jya n PHE 49 Ca 0.06 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 55.55 1jya n PHE 49 Cb 0.51 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.29 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 0.14 -0.45 1.97 -1.32 -0.30 -0.92 115.64 112.76 1jya s THR 50 Ca 0.00 -1.58 -0.07 0.00 -1.21 0.00 0.00 61.69 58.83 1jya s THR 50 Cb 0.00 -1.65 0.11 0.00 -1.51 0.00 0.00 72.50 69.45 1jya s THR 50 CO 0.00 -0.64 0.30 -0.76 -2.21 0.00 0.00 174.62 171.30 1jya s LEU 51 N -2.94 5.52 0.77 9.08 1.02 -1.26 -1.36 118.68 129.50 1jya s LEU 51 Ca 0.12 -1.92 -0.11 0.00 0.02 0.00 0.00 54.13 52.25 1jya s LEU 51 Cb 0.06 -1.95 0.06 0.00 0.02 0.00 0.00 46.19 44.38 1jya s LEU 51 CO -0.06 -0.64 1.13 -2.16 0.02 0.00 0.00 176.35 174.65 1jya s PRO 52 N 1.30 2.22 -0.29 1.29 0.04 -1.26 -4.97 135.00 133.33 1jya s PRO 52 Ca 0.06 0.14 -0.09 0.00 0.04 0.00 0.00 61.00 61.15 1jya s PRO 52 Cb -0.25 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.27 1jya s PRO 52 CO -0.02 -1.40 0.12 -1.12 0.04 0.00 0.00 177.00 174.62 1jya s SER 53 N -4.51 5.39 -0.16 6.66 0.01 -1.26 -4.70 113.70 115.12 1jya s SER 53 Ca 0.61 -0.45 -0.07 0.00 1.31 0.00 0.00 55.95 57.34 1jya s SER 53 Cb -0.11 -1.97 -0.04 0.00 0.21 0.00 0.00 66.02 64.11 1jya s SER 53 CO 0.49 -0.15 0.09 -0.76 0.41 0.00 0.00 173.24 173.32 1jya s LEU 54 N 1.60 4.00 -0.15 2.44 1.43 -1.26 -4.48 118.68 122.26 1jya s LEU 54 Ca 0.05 0.21 -0.29 0.00 -1.03 0.00 0.00 54.13 53.07 1jya s LEU 54 Cb -0.17 -1.99 -0.05 0.00 0.03 0.00 0.00 46.19 44.01 1jya s LEU 54 CO 0.05 0.26 1.90 -1.81 0.23 0.00 0.00 176.35 176.98 1jya s ASP 55 N -0.15 6.11 0.18 2.29 1.01 -1.26 -4.82 116.67 120.03 1jya s ASP 55 Ca 0.08 1.99 0.09 0.00 0.71 0.00 0.00 52.55 55.42 1jya s ASP 55 Cb -0.12 -2.52 0.47 0.00 1.01 0.00 0.00 42.92 41.76 1jya s ASP 55 CO 0.01 -1.42 1.17 0.59 0.21 0.00 0.00 175.17 175.72 1jya n ASN 56 N 9.22 0.23 -0.78 0.27 3.02 -1.26 -0.51 115.26 125.45 1jya n ASN 56 Ca 0.22 0.51 0.12 0.00 -0.03 0.00 0.00 54.58 55.40 1jya n ASN 56 Cb 0.44 -0.50 0.31 0.00 -0.61 0.00 0.00 39.78 39.42 1jya n ASN 56 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1jya n ASN 57 N -1.78 2.35 -4.73 6.41 3.02 -1.26 -4.90 115.26 114.38 1jya n ASN 57 Ca -0.01 -1.81 -0.40 0.00 -0.03 0.00 0.00 54.58 52.34 1jya n ASN 57 Cb 0.19 -0.12 -0.05 0.00 -0.61 0.00 0.00 39.78 39.19 1jya n ASN 57 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1jya s ASP 58 N -1.66 7.00 0.63 6.41 1.01 0.34 -5.06 116.67 125.34 1jya s ASP 58 Ca 0.34 1.20 -0.11 0.00 0.71 0.00 0.00 52.55 54.69 1jya s ASP 58 Cb 0.20 -2.41 -0.04 0.00 1.01 0.00 0.00 42.92 41.69 1jya s ASP 58 CO 0.29 -0.06 1.03 -1.61 0.21 0.00 0.00 175.17 175.03 1jya s GLU 59 N 0.55 3.54 0.37 8.23 2.02 -1.26 -4.90 118.70 127.24 1jya s GLU 59 Ca 0.36 0.74 0.06 0.00 0.02 0.00 0.00 54.97 56.15 1jya s GLU 59 Cb -0.18 -2.07 0.76 0.00 0.10 0.00 0.00 34.13 32.73 1jya s GLU 59 CO 0.18 -0.61 1.97 1.57 0.02 0.00 0.00 175.26 178.39 1jya h LYS 60 N -0.35 0.71 -0.61 1.61 2.10 -1.99 -1.87 116.57 116.17 1jya h LYS 60 Ca -0.44 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.15 1jya h LYS 60 Cb 1.19 -0.16 -0.03 0.00 -0.90 0.00 0.00 32.23 32.33 1jya h LYS 60 CO 0.62 0.47 0.34 0.93 -2.00 0.00 0.00 179.45 179.81 1jya h GLU 61 N 0.73 0.86 -0.56 0.07 3.07 -1.98 0.15 114.58 116.92 1jya h GLU 61 Ca 0.30 -0.10 -0.08 0.00 -0.50 0.00 0.00 59.36 58.98 1jya h GLU 61 Cb 0.25 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 27.97 1jya h GLU 61 CO -0.10 0.65 0.03 1.15 -1.40 0.00 0.00 179.01 179.34 1jya h THR 62 N 0.83 1.26 -0.38 1.13 2.02 -1.74 -1.11 112.91 114.92 1jya h THR 62 Ca 0.22 -1.07 -0.09 0.00 0.77 0.00 0.00 66.41 66.23 1jya h THR 62 Cb 0.04 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1jya h THR 62 CO -0.03 0.39 -0.13 -0.07 0.37 0.00 0.00 175.52 176.04 1jya h LEU 63 N 0.85 0.77 -1.57 2.58 3.38 -1.06 -2.91 115.31 117.35 1jya h LEU 63 Ca 0.16 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 1jya h LEU 63 Cb 0.50 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1jya h LEU 63 CO 0.02 0.98 -0.20 -0.07 0.09 0.00 0.00 178.44 179.26 1jya h LEU 64 N 0.56 0.00 -2.31 1.67 3.38 -0.60 -2.43 115.31 115.58 1jya h LEU 64 Ca 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 1jya h LEU 64 Cb 0.66 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1jya h LEU 64 CO 0.05 0.20 -0.03 0.28 0.09 0.00 0.00 178.44 179.03 1jya h SER 65 N 0.00 0.00 0.93 -0.43 0.02 -0.99 -1.31 113.55 111.77 1jya h SER 65 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1jya h SER 65 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 1jya h SER 65 CO 0.03 0.03 0.00 1.41 -1.14 0.00 0.00 176.83 177.15 1jya n HIS 66 N -3.26 0.83 0.17 3.45 8.25 -0.92 -3.29 115.22 120.44 1jya n HIS 66 Ca -0.02 0.30 0.12 0.00 -0.26 0.00 0.00 57.72 57.86 1jya n HIS 66 Cb 0.17 -0.99 0.25 0.00 1.12 0.00 0.00 29.99 30.54 1jya n HIS 66 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1jya n ASN 67 N -2.23 3.56 -4.76 0.41 3.02 -0.49 -4.82 115.26 109.94 1jya n ASN 67 Ca 0.03 -1.99 -0.38 0.00 -0.03 0.00 0.00 54.58 52.21 1jya n ASN 67 Cb 0.28 -0.31 0.01 0.00 -0.61 0.00 0.00 39.78 39.15 1jya n ASN 67 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1jya s ILE 68 N -1.38 2.59 0.65 2.41 1.10 -1.21 -4.94 121.20 120.42 1jya s ILE 68 Ca 0.41 0.47 -0.17 0.00 -0.51 0.00 0.00 60.65 60.85 1jya s ILE 68 Cb 0.23 -3.25 -0.01 0.00 0.15 0.00 0.00 42.46 39.59 1jya s ILE 68 CO 0.32 0.02 1.23 0.72 -2.11 0.00 0.00 174.94 175.12 1jya s PHE 69 N -1.37 2.21 0.32 3.50 -0.12 -1.26 -5.04 117.98 116.21 1jya s PHE 69 Ca 0.64 1.53 0.06 0.00 -0.05 0.00 0.00 56.93 59.11 1jya s PHE 69 Cb -0.36 -3.54 -0.03 0.00 -0.63 0.00 0.00 43.02 38.47 1jya s PHE 69 CO 0.44 -2.53 0.27 -1.54 -0.05 0.00 0.00 175.22 171.81 1jya s SER 70 N -1.68 1.50 0.13 1.98 1.04 -1.26 -5.03 113.70 110.38 1jya s SER 70 Ca 0.78 -1.72 0.21 0.00 0.48 0.00 0.00 55.95 55.71 1jya s SER 70 Cb -0.32 0.54 0.86 0.00 0.10 0.00 0.00 66.02 67.20 1jya s SER 70 CO 0.39 -1.05 1.66 0.00 0.98 0.00 0.00 173.24 175.22 1jya n GLN 71 N -0.58 0.11 -3.49 4.02 10.64 -1.26 -4.47 117.38 122.34 1jya n GLN 71 Ca 0.07 0.28 -0.42 0.00 -1.83 0.00 0.00 57.00 55.10 1jya n GLN 71 Cb 0.63 -1.69 -0.10 0.00 -0.86 0.00 0.00 30.24 28.22 1jya n GLN 71 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1jya s ASP 72 N -3.69 6.00 0.00 2.61 -1.08 -1.26 -4.94 116.67 114.31 1jya s ASP 72 Ca 0.07 -0.98 0.14 0.00 -0.52 0.00 0.00 52.55 51.26 1jya s ASP 72 Cb 0.11 -2.12 0.61 0.00 -1.46 0.00 0.00 42.92 40.06 1jya s ASP 72 CO 0.39 -0.45 1.41 2.30 0.52 0.00 0.00 175.17 179.34 1jya n ILE 73 N 5.11 0.93 0.87 4.11 -5.35 -1.26 -2.06 119.36 121.70 1jya n ILE 73 Ca -0.11 0.23 0.12 0.00 -0.27 0.00 0.00 62.75 62.72 1jya n ILE 73 Cb 0.46 -1.00 0.27 0.00 -1.74 0.00 0.00 39.64 37.63 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 -1.43 2.64 -4.71 7.28 4.77 -1.26 -4.74 117.00 119.55 1jya n LEU 74 Ca 0.04 -1.04 -0.42 0.00 -0.03 0.00 0.00 56.01 54.56 1jya n LEU 74 Cb 0.14 -0.12 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 1jya n LEU 74 CO 0.12 0.52 1.41 1.17 -1.33 0.00 0.00 177.39 179.28 1jya n LYS 75 N 0.99 2.79 -1.65 3.23 4.81 -0.88 -4.60 118.16 122.86 1jya n LYS 75 Ca 0.17 1.01 -0.32 0.00 -0.87 0.00 0.00 58.31 58.30 1jya n LYS 75 Cb 0.50 -2.87 0.05 0.00 0.02 0.00 0.00 35.03 32.73 1jya n LYS 75 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1jya s PRO 76 N 1.65 2.82 -0.14 1.64 0.04 -1.26 -4.86 135.00 134.89 1jya s PRO 76 Ca 0.77 1.18 -0.03 0.00 0.04 0.00 0.00 61.00 62.96 1jya s PRO 76 Cb -0.50 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.05 1jya s PRO 76 CO 0.34 -1.21 -0.03 0.42 0.04 0.00 0.00 177.00 176.56 1jya s ILE 77 N -2.69 4.00 -0.10 0.56 -1.09 0.12 -4.80 121.20 117.19 1jya s ILE 77 Ca 0.62 -0.33 -0.19 0.00 -2.23 0.00 0.00 60.65 58.52 1jya s ILE 77 Cb -0.17 -2.73 -0.04 0.00 -1.58 0.00 0.00 42.46 37.94 1jya s ILE 77 CO 0.47 0.51 0.53 -0.22 -1.23 0.00 0.00 174.94 175.01 1jya s LEU 78 N 0.09 4.29 0.00 2.97 2.96 -1.26 -1.35 118.68 126.38 1jya s LEU 78 Ca -0.00 0.91 0.05 0.00 -0.22 0.00 0.00 54.13 54.87 1jya s LEU 78 Cb -0.13 -2.79 -0.02 0.00 0.50 0.00 0.00 46.19 43.75 1jya s LEU 78 CO 0.03 -0.03 0.35 -1.54 -1.32 0.00 0.00 176.35 173.84 1jya n SER 79 N 3.68 -0.93 -4.18 3.68 3.41 0.24 -4.98 113.62 114.54 1jya n SER 79 Ca -0.06 -3.14 -0.28 0.00 -0.26 0.00 0.00 58.87 55.14 1jya n SER 79 Cb 0.52 1.98 -0.16 0.00 -0.26 0.00 0.00 64.21 66.29 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 -3.21 1.94 -1.27 7.33 -0.11 -1.26 -1.12 118.94 121.24 1jya s TRP 80 Ca 0.37 -0.56 -0.09 0.00 1.22 0.00 0.00 56.10 57.05 1jya s TRP 80 Cb 0.01 -1.29 0.17 0.00 -1.50 0.00 0.00 33.47 30.86 1jya s TRP 80 CO 0.26 -0.18 1.88 -3.47 -4.62 0.00 0.00 176.95 170.83 1jya n ASP 81 N 3.06 5.32 -0.17 5.86 -0.08 0.74 -4.83 116.55 126.46 1jya n ASP 81 Ca -0.18 -3.13 0.02 0.00 -1.51 0.00 0.00 54.79 49.99 1jya n ASP 81 Cb 0.53 -1.46 0.06 0.00 2.34 0.00 0.00 41.12 42.59 1jya n ASP 81 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1jya n GLU 82 N 3.57 -0.05 0.28 -0.67 4.07 -1.26 0.85 120.64 127.43 1jya n GLU 82 Ca 0.40 0.72 -0.12 0.00 -0.06 0.00 0.00 57.16 58.10 1jya n GLU 82 Cb 0.35 -1.07 -0.06 0.00 -0.06 0.00 0.00 31.44 30.61 1jya n GLU 82 CO 0.00 0.00 0.00 -0.39 -0.06 0.00 0.00 177.13 176.68 1jya h VAL 83 N 0.00 0.00 -0.09 6.31 -1.51 -1.95 -3.15 116.25 115.86 1jya h VAL 83 Ca 0.21 -0.41 0.03 0.00 -1.23 0.00 0.00 66.70 65.30 1jya h VAL 83 Cb 0.33 0.00 -0.00 0.00 -2.13 0.00 0.00 31.29 29.48 1jya h VAL 83 CO -0.47 0.00 0.23 1.23 -1.23 0.00 0.00 177.57 177.33 1jya h GLY 84 N -1.18 0.00 -3.42 5.19 0.00 -0.65 -3.45 103.07 99.55 1jya h GLY 84 Ca -0.08 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.08 1jya h GLY 84 CO 0.13 0.00 -0.33 0.61 0.00 0.00 0.00 176.54 176.95 1jya n GLY 85 N -1.27 0.18 3.46 4.60 0.00 0.25 -5.03 105.19 107.39 1jya n GLY 85 Ca -0.00 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.44 0.60 1.61 -3.43 -1.23 -5.01 115.29 104.23 1jya s HIS 86 Ca 0.16 0.27 -0.15 0.00 -0.80 0.00 0.00 55.06 54.53 1jya s HIS 86 Cb -0.07 0.55 -0.03 0.00 -1.43 0.00 0.00 32.58 31.60 1jya s HIS 86 CO 0.34 -0.71 1.06 -2.14 -2.00 0.00 0.00 174.74 171.29 1jya s PRO 87 N -3.45 3.26 -0.05 -0.38 0.02 -1.26 -0.19 135.00 132.95 1jya s PRO 87 Ca 0.03 1.21 -0.01 0.00 0.02 0.00 0.00 61.00 62.25 1jya s PRO 87 Cb -0.01 -2.02 0.03 0.00 0.02 0.00 0.00 34.50 32.51 1jya s PRO 87 CO -0.11 -0.86 0.01 0.08 -0.33 0.00 0.00 177.00 175.79 1jya s VAL 88 N -2.48 0.23 -0.14 3.83 1.01 -0.27 -4.32 120.40 118.25 1jya s VAL 88 Ca 0.64 0.14 -0.03 0.00 0.00 0.00 0.00 61.98 62.73 1jya s VAL 88 Cb -0.16 -0.36 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 1jya s VAL 88 CO 0.38 0.20 -0.05 -0.22 0.00 0.00 0.00 175.10 175.41 1jya s LEU 89 N 1.54 3.21 0.11 3.92 2.96 -0.46 -0.60 118.68 129.36 1jya s LEU 89 Ca -0.02 -0.13 -0.14 0.00 -0.22 0.00 0.00 54.13 53.62 1jya s LEU 89 Cb -0.13 -1.76 0.02 0.00 0.50 0.00 0.00 46.19 44.82 1jya s LEU 89 CO -0.03 0.19 0.34 -1.66 -1.32 0.00 0.00 176.35 173.87 1jya s TRP 90 N 0.20 -0.10 0.20 5.38 1.48 -0.46 -1.15 118.94 124.50 1jya s TRP 90 Ca -0.03 -0.26 -0.04 0.00 -1.06 0.00 0.00 56.10 54.71 1jya s TRP 90 Cb -0.14 0.16 -0.03 0.00 -1.16 0.00 0.00 33.47 32.30 1jya s TRP 90 CO 0.03 -0.65 0.20 0.54 -4.06 0.00 0.00 176.95 173.01 1jya s ASN 91 N -2.82 0.11 0.03 -2.66 2.20 -1.26 0.12 114.94 110.66 1jya s ASN 91 Ca 0.04 -1.22 -0.23 0.00 -0.94 0.00 0.00 52.86 50.50 1jya s ASN 91 Cb 0.03 0.41 0.05 0.00 -2.00 0.00 0.00 41.25 39.74 1jya s ASN 91 CO -0.12 -0.89 0.53 -0.60 -2.94 0.00 0.00 177.10 173.08 1jya s ARG 92 N -4.10 1.01 0.08 3.55 3.52 -1.26 -4.45 118.95 117.30 1jya s ARG 92 Ca 0.31 -0.16 -0.26 0.00 -0.13 0.00 0.00 55.73 55.50 1jya s ARG 92 Cb 0.05 0.46 0.08 0.00 -1.56 0.00 0.00 34.95 33.99 1jya s ARG 92 CO 0.09 -0.35 0.69 1.14 -0.81 0.00 0.00 175.30 176.06 1jya s GLN 93 N -2.18 1.11 0.33 5.12 -2.07 -0.93 -4.78 119.66 116.27 1jya s GLN 93 Ca -0.07 -0.29 -0.29 0.00 -1.82 0.00 0.00 55.36 52.89 1jya s GLN 93 Cb -0.01 0.52 -0.11 0.00 -1.09 0.00 0.00 33.01 32.32 1jya s GLN 93 CO 0.00 -0.46 1.47 -2.14 -1.32 0.00 0.00 175.29 172.85 1jya s PRO 94 N -3.09 4.17 0.43 9.60 0.02 -1.26 -0.81 135.00 144.06 1jya s PRO 94 Ca -0.00 2.48 0.24 0.00 0.02 0.00 0.00 61.00 63.74 1jya s PRO 94 Cb -0.01 -3.02 0.69 0.00 0.02 0.00 0.00 34.50 32.19 1jya s PRO 94 CO -0.08 -0.48 1.73 1.25 -0.33 0.00 0.00 177.00 179.09 1jya h LEU 95 N 3.73 0.00 -0.86 -5.54 5.85 -1.51 -3.21 115.31 113.77 1jya h LEU 95 Ca -0.49 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.23 1jya h LEU 95 Cb 1.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1jya h LEU 95 CO 0.69 0.19 -0.01 -0.46 -0.34 0.00 0.00 178.44 178.51 1jya n ASN 96 N -3.23 1.35 -1.10 1.25 0.23 -1.26 -4.12 115.26 108.38 1jya n ASN 96 Ca 0.02 -1.44 0.04 0.00 -0.53 0.00 0.00 54.58 52.67 1jya n ASN 96 Cb 0.49 0.00 0.11 0.00 -2.08 0.00 0.00 39.78 38.31 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 0.04 1.46 -4.84 0.53 3.41 -1.21 -5.02 113.62 107.99 1jya n SER 97 Ca 0.19 -2.99 -0.32 0.00 -0.26 0.00 0.00 58.87 55.49 1jya n SER 97 Cb 0.33 -0.42 -0.06 0.00 -0.26 0.00 0.00 64.21 63.81 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 -1.78 3.92 0.43 1.04 1.43 -1.26 -5.00 118.68 117.48 1jya s LEU 98 Ca 0.36 1.47 0.05 0.00 -1.03 0.00 0.00 54.13 54.99 1jya s LEU 98 Cb 0.38 -4.33 -0.06 0.00 0.03 0.00 0.00 46.19 42.22 1jya s LEU 98 CO -0.11 -0.35 0.02 1.51 0.23 0.00 0.00 176.35 177.65 1jya s ASP 99 N -2.45 3.78 0.36 2.29 -4.77 -1.26 -4.96 116.67 109.66 1jya s ASP 99 Ca 0.58 -1.47 0.16 0.00 -3.30 0.00 0.00 52.55 48.52 1jya s ASP 99 Cb -0.10 -0.06 1.09 0.00 -1.09 0.00 0.00 42.92 42.76 1jya s ASP 99 CO 0.19 -0.60 1.68 0.78 0.70 0.00 0.00 175.17 177.92 1jya h ASN 100 N 1.68 0.51 -0.27 2.11 2.35 -2.04 -0.02 115.58 119.90 1jya h ASN 100 Ca -0.43 0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.48 1jya h ASN 100 Cb 1.26 0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.73 1jya h ASN 100 CO 0.77 -0.07 0.00 0.59 -1.65 0.00 0.00 177.43 177.07 1jya n ASN 101 N -4.93 3.18 0.07 5.81 3.02 -1.26 -4.70 115.26 116.45 1jya n ASN 101 Ca 0.31 -1.94 -0.15 0.00 -0.03 0.00 0.00 54.58 52.77 1jya n ASN 101 Cb 0.98 -0.17 -0.09 0.00 -0.61 0.00 0.00 39.78 39.88 1jya n ASN 101 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1jya h SER 102 N 4.11 -1.52 -0.59 6.41 0.02 -1.36 -1.78 113.55 118.84 1jya h SER 102 Ca 0.00 0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 1jya h SER 102 Cb 0.92 0.57 -0.03 0.00 0.14 0.00 0.00 62.40 64.00 1jya h SER 102 CO 0.00 -0.50 0.18 -0.07 -1.14 0.00 0.00 176.83 175.30 1jya h LEU 103 N -0.65 0.89 -0.26 5.07 3.38 -1.84 -2.10 115.31 119.80 1jya h LEU 103 Ca 0.00 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1jya h LEU 103 Cb 0.68 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1jya h LEU 103 CO -0.31 0.84 0.12 0.22 0.09 0.00 0.00 178.44 179.40 1jya h TYR 104 N 0.92 0.38 -0.95 1.13 5.03 -1.83 -1.16 116.97 120.48 1jya h TYR 104 Ca 0.20 -0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.49 1jya h TYR 104 Cb 0.28 -0.12 -0.05 0.00 1.55 0.00 0.00 36.73 38.40 1jya h TYR 104 CO 0.02 0.37 0.57 1.15 -1.32 0.00 0.00 178.16 178.95 1jya h THR 105 N 0.27 1.26 -0.19 1.81 2.02 -1.20 0.14 112.91 117.02 1jya h THR 105 Ca 0.09 -0.56 -0.00 0.00 0.77 0.00 0.00 66.41 66.70 1jya h THR 105 Cb 0.14 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.47 1jya h THR 105 CO -0.01 0.27 0.10 -0.61 0.37 0.00 0.00 175.52 175.65 1jya h GLN 106 N 1.30 0.27 -0.60 6.66 4.15 -1.05 -2.58 115.11 123.27 1jya h GLN 106 Ca 0.34 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.67 1jya h GLN 106 Cb -0.06 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.56 1jya h GLN 106 CO -0.06 0.26 0.13 1.25 -1.93 0.00 0.00 178.83 178.48 1jya h LEU 107 N 0.21 0.88 -1.74 -2.39 5.85 -0.77 -1.43 115.31 115.91 1jya h LEU 107 Ca 0.07 -0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.61 1jya h LEU 107 Cb 0.07 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 40.87 1jya h LEU 107 CO -0.01 0.86 0.00 1.21 -0.34 0.00 0.00 178.44 180.16 1jya n GLU 108 N -4.25 0.38 0.00 1.25 2.13 0.44 -2.05 120.64 118.54 1jya n GLU 108 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 1jya n GLU 108 Cb 0.25 -1.28 0.00 0.00 0.27 0.00 0.00 31.44 30.68 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 0.68 0.00 -0.21 4.31 7.94 -0.54 -1.60 117.00 127.58 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 0.17 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.17 1jya n LEU 110 CO 0.00 0.00 0.88 -0.37 -1.11 0.00 0.00 177.39 176.79 1jya h VAL 111 N 0.00 1.26 -0.95 1.96 -1.51 -1.69 -1.33 116.25 113.99 1jya h VAL 111 Ca 0.00 -1.07 0.02 0.00 -1.23 0.00 0.00 66.70 64.42 1jya h VAL 111 Cb 0.00 0.70 -0.05 0.00 -2.13 0.00 0.00 31.29 29.81 1jya h VAL 111 CO 0.00 0.39 0.63 -0.61 -1.23 0.00 0.00 177.57 176.75 1jya h GLN 112 N 0.99 1.22 -0.15 5.19 4.15 -1.57 0.35 115.11 125.30 1jya h GLN 112 Ca 0.19 -0.07 -0.12 0.00 0.77 0.00 0.00 58.65 59.41 1jya h GLN 112 Cb 0.47 -0.28 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 1jya h GLN 112 CO 0.02 0.81 -0.44 0.78 -1.93 0.00 0.00 178.83 178.07 1jya h GLY 113 N 1.26 0.39 1.66 2.39 0.00 -1.70 -2.28 103.07 104.79 1jya h GLY 113 Ca 0.36 -0.40 -0.11 0.00 0.00 0.00 0.00 47.33 47.18 1jya h GLY 113 CO -0.09 0.36 -0.39 0.00 0.00 0.00 0.00 176.54 176.42 1jya h ALA 114 N 1.24 1.03 -0.21 3.60 0.00 -0.07 -2.88 119.26 121.96 1jya h ALA 114 Ca 0.02 -0.41 -0.17 0.00 0.00 0.00 0.00 54.91 54.35 1jya h ALA 114 Cb 0.90 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1jya h ALA 114 CO 0.07 0.60 -0.55 0.93 0.00 0.00 0.00 179.25 180.31 1jya h GLU 115 N 0.32 0.64 -0.74 0.00 5.08 -0.74 -3.07 114.58 116.07 1jya h GLU 115 Ca 0.03 -0.40 -0.02 0.00 -1.00 0.00 0.00 59.36 57.97 1jya h GLU 115 Cb 0.82 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 30.08 1jya h GLU 115 CO 0.07 1.02 0.39 0.00 -1.00 0.00 0.00 179.01 179.49 1jya h ARG 116 N 0.49 1.04 -0.54 2.33 3.08 -1.28 -1.93 114.38 117.56 1jya h ARG 116 Ca 0.01 -0.12 -0.07 0.00 0.07 0.00 0.00 59.98 59.87 1jya h ARG 116 Cb 1.11 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.94 1jya h ARG 116 CO 0.11 0.77 0.06 -0.07 -1.07 0.00 0.00 179.97 179.77 1jya h LEU 117 N 1.04 0.84 -0.00 3.04 3.38 -1.41 -2.06 115.31 120.14 1jya h LEU 117 Ca 0.26 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1jya h LEU 117 Cb 0.05 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.58 1jya h LEU 117 CO -0.04 0.87 0.00 0.00 0.09 0.00 0.00 178.44 179.36 1jya n GLN 118 N -4.23 0.00 0.06 1.13 6.02 -1.11 -3.85 117.38 115.41 1jya n GLN 118 Ca 0.03 0.11 0.13 0.00 -0.01 0.00 0.00 57.00 57.26 1jya n GLN 118 Cb 0.28 -1.50 0.35 0.00 1.02 0.00 0.00 30.24 30.39 1jya n GLN 118 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1jya n THR 119 N -1.50 0.36 -3.16 5.09 -1.04 -0.74 -4.53 114.28 108.75 1jya n THR 119 Ca 0.05 -0.20 -0.45 0.00 -2.04 0.00 0.00 64.05 61.41 1jya n THR 119 Cb 0.27 -0.34 -0.01 0.00 -1.82 0.00 0.00 70.33 68.42 1jya n THR 119 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1jya s SER 120 N -4.02 6.88 -0.32 8.00 1.04 -1.18 -4.63 113.70 119.46 1jya s SER 120 Ca 0.10 -2.74 0.00 0.00 0.48 0.00 0.00 55.95 53.79 1jya s SER 120 Cb 0.14 -2.29 0.14 0.00 0.10 0.00 0.00 66.02 64.11 1jya s SER 120 CO 0.63 -0.68 0.27 -0.94 0.98 0.00 0.00 173.24 173.51 1jya s SER 121 N 2.50 2.11 0.00 7.02 1.04 -1.26 -4.79 113.70 120.31 1jya s SER 121 Ca 0.28 -1.36 0.00 0.00 0.48 0.00 0.00 55.95 55.35 1jya s SER 121 Cb -0.08 0.20 0.00 0.00 0.10 0.00 0.00 66.02 66.24 1jya s SER 121 CO -0.08 -0.35 0.00 0.18 0.98 0.00 0.00 173.24 173.98