#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nco s ALA 2 N 0.00 3.26 0.56 0.00 0.00 -1.26 -5.03 121.76 119.29 1nco s ALA 2 Ca 0.00 0.23 -0.21 0.00 0.00 0.00 0.00 51.96 51.98 1nco s ALA 2 Cb 0.00 -2.94 -0.04 0.00 0.00 0.00 0.00 23.12 20.14 1nco s ALA 2 CO 0.00 0.26 1.28 -1.25 0.00 0.00 0.00 175.76 176.05 1nco s PRO 3 N -2.66 3.10 0.19 0.00 0.04 -1.26 -4.80 135.00 129.60 1nco s PRO 3 Ca 0.53 2.02 0.06 0.00 0.04 0.00 0.00 61.00 63.65 1nco s PRO 3 Cb -0.13 -2.13 -0.05 0.00 0.04 0.00 0.00 34.50 32.24 1nco s PRO 3 CO 0.18 -1.16 -0.11 0.95 0.04 0.00 0.00 177.00 176.90 1nco s THR 4 N -1.43 1.47 0.03 1.26 -4.23 0.05 -4.38 115.64 108.40 1nco s THR 4 Ca 0.74 -2.14 0.04 0.00 -1.18 0.00 0.00 61.69 59.15 1nco s THR 4 Cb -0.35 -2.02 -0.02 0.00 1.34 0.00 0.00 72.50 71.45 1nco s THR 4 CO 0.40 -0.62 -0.12 0.00 -0.54 0.00 0.00 174.62 173.75 1nco s ALA 5 N -3.14 0.97 0.01 3.99 0.00 -1.26 -2.03 121.76 120.29 1nco s ALA 5 Ca 0.21 -0.69 0.06 0.00 0.00 0.00 0.00 51.96 51.54 1nco s ALA 5 Cb 0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.96 1nco s ALA 5 CO 0.05 0.18 -0.19 0.95 0.00 0.00 0.00 175.76 176.74 1nco s THR 6 N -0.73 1.53 -0.19 0.00 -4.23 -0.55 -4.96 115.64 106.51 1nco s THR 6 Ca 0.01 -0.94 -0.01 0.00 -1.18 0.00 0.00 61.69 59.57 1nco s THR 6 Cb -0.07 -1.30 0.05 0.00 1.34 0.00 0.00 72.50 72.52 1nco s THR 6 CO 0.01 0.33 -0.03 -0.69 -0.54 0.00 0.00 174.62 173.70 1nco s VAL 7 N -0.58 1.09 -0.19 2.29 1.01 -1.26 -1.56 120.40 121.20 1nco s VAL 7 Ca 0.07 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.30 1nco s VAL 7 Cb -0.08 -1.36 0.04 0.00 0.00 0.00 0.00 36.38 34.98 1nco s VAL 7 CO 0.00 -0.00 -0.13 -0.89 0.00 0.00 0.00 175.10 174.08 1nco s THR 8 N 1.62 1.79 0.97 3.92 2.01 -0.15 -3.11 115.64 122.70 1nco s THR 8 Ca -0.01 -1.01 -0.12 0.00 0.31 0.00 0.00 61.69 60.85 1nco s THR 8 Cb -0.17 -1.78 0.17 0.00 0.01 0.00 0.00 72.50 70.74 1nco s THR 8 CO -0.07 0.27 1.11 -2.16 -0.69 0.00 0.00 174.62 173.07 1nco s PRO 9 N 1.35 0.63 0.00 4.92 0.04 -1.26 -1.08 135.00 139.61 1nco s PRO 9 Ca 0.00 0.45 0.00 0.00 0.04 0.00 0.00 61.00 61.49 1nco s PRO 9 Cb -0.15 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1nco s PRO 9 CO -0.09 -2.58 0.00 -1.13 0.04 0.00 0.00 177.00 173.24 1nco n SER 10 N -4.06 2.61 -4.38 6.66 3.41 -1.18 -4.78 113.62 111.90 1nco n SER 10 Ca 0.06 -0.11 -0.22 0.00 -0.26 0.00 0.00 58.87 58.34 1nco n SER 10 Cb 0.58 0.75 -0.10 0.00 -0.26 0.00 0.00 64.21 65.17 1nco n SER 10 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1nco s SER 11 N -1.27 2.95 -1.21 4.04 1.04 -1.26 -1.09 113.70 116.90 1nco s SER 11 Ca 0.00 -0.96 0.00 0.00 0.48 0.00 0.00 55.95 55.47 1nco s SER 11 Cb 0.00 -0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.92 1nco s SER 11 CO 0.00 -0.05 0.00 0.61 0.98 0.00 0.00 173.24 174.78 1nco n GLY 12 N -0.19 0.93 3.77 7.32 0.00 -0.40 -4.91 105.19 111.71 1nco n GLY 12 Ca -0.09 -0.45 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 1nco n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nco s LEU 13 N -2.91 4.17 0.43 0.99 1.43 -0.39 -3.81 118.68 118.58 1nco s LEU 13 Ca 0.00 2.76 0.03 0.00 -1.03 0.00 0.00 54.13 55.89 1nco s LEU 13 Cb 0.00 -3.92 0.00 0.00 0.03 0.00 0.00 46.19 42.30 1nco s LEU 13 CO 0.00 -0.99 0.62 -0.44 0.23 0.00 0.00 176.35 175.77 1nco s SER 14 N -0.65 5.77 0.18 2.29 0.01 -1.26 -0.68 113.70 119.35 1nco s SER 14 Ca 0.59 0.03 -0.31 0.00 1.31 0.00 0.00 55.95 57.57 1nco s SER 14 Cb -0.40 -1.26 -0.10 0.00 0.21 0.00 0.00 66.02 64.47 1nco s SER 14 CO 0.52 -0.70 1.50 -0.62 0.41 0.00 0.00 173.24 174.35 1nco s ASP 15 N -4.25 6.65 0.00 2.44 2.15 -1.26 -2.06 116.67 120.34 1nco s ASP 15 Ca 0.49 2.58 0.00 0.00 0.43 0.00 0.00 52.55 56.05 1nco s ASP 15 Cb -0.10 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 39.92 1nco s ASP 15 CO 0.35 -0.76 0.00 0.61 -0.17 0.00 0.00 175.17 175.21 1nco n GLY 16 N 3.26 0.65 3.77 2.66 0.00 0.35 -4.96 105.19 110.92 1nco n GLY 16 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 1nco n GLY 16 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nco s THR 17 N -2.53 2.73 -0.31 2.61 2.01 -0.87 -4.69 115.64 114.59 1nco s THR 17 Ca 0.00 0.70 -0.11 0.00 0.31 0.00 0.00 61.69 62.58 1nco s THR 17 Cb 0.00 -3.43 -0.03 0.00 0.01 0.00 0.00 72.50 69.05 1nco s THR 17 CO 0.00 0.14 0.20 -0.69 -0.69 0.00 0.00 174.62 173.58 1nco s VAL 18 N -1.20 5.16 0.18 3.82 1.01 -1.26 -0.76 120.40 127.36 1nco s VAL 18 Ca 0.52 -0.08 0.04 0.00 0.00 0.00 0.00 61.98 62.45 1nco s VAL 18 Cb -0.38 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.40 1nco s VAL 18 CO 0.50 0.12 0.26 0.68 0.00 0.00 0.00 175.10 176.66 1nco s VAL 19 N 1.72 5.04 -0.12 2.92 -7.23 -0.24 -4.83 120.40 117.66 1nco s VAL 19 Ca 0.06 -0.91 -0.14 0.00 -1.81 0.00 0.00 61.98 59.18 1nco s VAL 19 Cb -0.17 -3.63 -0.05 0.00 0.56 0.00 0.00 36.38 33.09 1nco s VAL 19 CO 0.10 -0.17 0.34 -0.75 -0.31 0.00 0.00 175.10 174.30 1nco s LYS 20 N -3.43 4.13 -0.09 4.82 2.47 -0.24 -0.49 119.74 126.91 1nco s LYS 20 Ca 0.33 0.21 0.03 0.00 -1.56 0.00 0.00 55.97 54.98 1nco s LYS 20 Cb -0.10 -3.36 0.01 0.00 -1.46 0.00 0.00 37.83 32.91 1nco s LYS 20 CO 0.27 0.37 -0.19 0.08 0.16 0.00 0.00 175.35 176.03 1nco s VAL 21 N 0.04 1.70 0.06 4.02 1.01 0.08 -0.98 120.40 126.34 1nco s VAL 21 Ca 0.20 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.44 1nco s VAL 21 Cb -0.14 -1.50 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 1nco s VAL 21 CO 0.07 0.48 -0.19 0.00 0.00 0.00 0.00 175.10 175.46 1nco s ALA 22 N 0.52 1.59 0.11 5.51 0.00 -0.60 -1.66 121.76 127.24 1nco s ALA 22 Ca -0.16 -1.05 0.07 0.00 0.00 0.00 0.00 51.96 50.81 1nco s ALA 22 Cb -0.17 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.66 1nco s ALA 22 CO 0.06 0.33 -0.16 0.20 0.00 0.00 0.00 175.76 176.18 1nco s GLY 23 N -1.42 1.12 0.00 0.00 0.00 0.11 -1.48 107.32 105.65 1nco s GLY 23 Ca 0.05 -1.25 -0.12 0.00 0.00 0.00 0.00 44.72 43.40 1nco s GLY 23 CO 0.02 -1.29 0.26 0.00 0.00 0.00 0.00 173.10 172.10 1nco s ALA 24 N -1.69 -0.62 -0.15 3.20 0.00 -0.86 -1.96 121.76 119.67 1nco s ALA 24 Ca 0.07 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.14 1nco s ALA 24 Cb -0.07 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.19 1nco s ALA 24 CO 0.04 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 175.92 1nco n GLY 25 N 1.14 0.51 3.94 0.00 0.00 -1.14 -0.77 105.19 108.86 1nco n GLY 25 Ca -0.21 -0.68 -0.25 0.00 0.00 0.00 0.00 46.02 44.88 1nco n GLY 25 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nco s LEU 26 N -0.33 2.96 -0.44 0.99 1.43 -0.78 -4.25 118.68 118.26 1nco s LEU 26 Ca 0.00 0.39 -0.29 0.00 -1.03 0.00 0.00 54.13 53.20 1nco s LEU 26 Cb 0.00 -3.10 0.03 0.00 0.03 0.00 0.00 46.19 43.14 1nco s LEU 26 CO 0.00 -1.44 1.12 -1.58 0.23 0.00 0.00 176.35 174.68 1nco s GLN 27 N -5.12 3.81 0.18 1.70 0.74 -1.26 -4.17 119.66 115.55 1nco s GLN 27 Ca 0.59 0.69 -0.33 0.00 0.05 0.00 0.00 55.36 56.36 1nco s GLN 27 Cb -0.11 -3.86 -0.14 0.00 1.10 0.00 0.00 33.01 30.00 1nco s GLN 27 CO 0.43 -1.26 1.43 0.00 -0.55 0.00 0.00 175.29 175.35 1nco n ALA 28 N 7.59 0.65 -0.10 1.58 0.00 -1.26 -1.82 120.51 127.15 1nco n ALA 28 Ca 0.12 0.45 0.00 0.00 0.00 0.00 0.00 53.44 54.01 1nco n ALA 28 Cb 0.48 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.69 1nco n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nco n GLY 29 N 2.65 1.83 3.82 0.00 0.00 -0.40 -5.00 105.19 108.09 1nco n GLY 29 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 1nco n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nco s THR 30 N -2.76 4.89 0.26 2.61 2.01 -0.76 -4.74 115.64 117.16 1nco s THR 30 Ca 0.00 1.03 -0.30 0.00 0.31 0.00 0.00 61.69 62.73 1nco s THR 30 Cb 0.00 -3.81 -0.09 0.00 0.01 0.00 0.00 72.50 68.61 1nco s THR 30 CO 0.00 0.56 1.05 0.00 -0.69 0.00 0.00 174.62 175.54 1nco s ALA 31 N -1.03 3.38 -0.01 7.40 0.00 -1.26 -1.72 121.76 128.52 1nco s ALA 31 Ca 0.26 0.81 0.03 0.00 0.00 0.00 0.00 51.96 53.06 1nco s ALA 31 Cb -0.18 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 19.64 1nco s ALA 31 CO 0.16 -0.06 -0.11 0.71 0.00 0.00 0.00 175.76 176.46 1nco s TYR 32 N -1.06 1.02 0.35 0.00 1.51 0.60 -4.54 117.35 115.23 1nco s TYR 32 Ca 0.44 -0.21 -0.10 0.00 -1.01 0.00 0.00 57.07 56.19 1nco s TYR 32 Cb -0.30 -0.67 -0.07 0.00 -0.11 0.00 0.00 41.96 40.81 1nco s TYR 32 CO 0.38 -0.04 0.70 -0.51 -1.11 0.00 0.00 175.55 174.97 1nco s ASP 33 N -0.15 6.56 -0.10 2.29 1.01 0.72 -1.24 116.67 125.75 1nco s ASP 33 Ca 0.02 1.05 0.02 0.00 0.71 0.00 0.00 52.55 54.35 1nco s ASP 33 Cb -0.06 -2.29 0.02 0.00 1.01 0.00 0.00 42.92 41.60 1nco s ASP 33 CO -0.00 -0.30 -0.14 -0.69 0.21 0.00 0.00 175.17 174.25 1nco s VAL 34 N -2.20 1.40 0.20 -1.27 1.01 0.07 -0.38 120.40 119.24 1nco s VAL 34 Ca 0.50 -0.58 -0.14 0.00 0.00 0.00 0.00 61.98 61.75 1nco s VAL 34 Cb -0.10 -1.29 0.05 0.00 0.00 0.00 0.00 36.38 35.04 1nco s VAL 34 CO 0.28 0.42 0.70 0.61 0.00 0.00 0.00 175.10 177.10 1nco n GLY 35 N 4.20 0.97 3.41 4.51 0.00 -0.30 -1.16 105.19 116.81 1nco n GLY 35 Ca -0.19 -1.14 -0.34 0.00 0.00 0.00 0.00 46.02 44.35 1nco n GLY 35 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1nco s GLN 36 N -2.05 3.52 0.31 1.61 0.74 -1.26 -1.22 119.66 121.32 1nco s GLN 36 Ca 0.15 -0.58 0.04 0.00 0.05 0.00 0.00 55.36 55.02 1nco s GLN 36 Cb -0.03 -2.94 -0.03 0.00 1.10 0.00 0.00 33.01 31.11 1nco s GLN 36 CO 0.06 0.04 0.19 0.00 -0.55 0.00 0.00 175.29 175.03 1nco s ALA 38 N -3.58 -0.93 -0.25 0.00 0.00 -0.05 -0.69 121.76 116.26 1nco s ALA 38 Ca 0.36 0.92 -0.25 0.00 0.00 0.00 0.00 51.96 52.99 1nco s ALA 38 Cb 0.04 -0.46 -0.00 0.00 0.00 0.00 0.00 23.12 22.70 1nco s ALA 38 CO 0.20 -0.20 0.86 -1.58 0.00 0.00 0.00 175.76 175.03 1nco s TRP 39 N -0.16 3.30 -1.58 0.00 0.51 -1.26 -1.42 118.94 118.33 1nco s TRP 39 Ca -0.03 1.15 0.17 0.00 -2.12 0.00 0.00 56.10 55.27 1nco s TRP 39 Cb -0.03 -3.11 -0.01 0.00 -0.81 0.00 0.00 33.47 29.51 1nco s TRP 39 CO 0.02 -0.44 0.90 1.33 -0.51 0.00 0.00 176.95 178.25 1nco n VAL 40 N 5.31 0.00 -3.64 4.03 0.24 -0.42 -4.89 118.33 118.97 1nco n VAL 40 Ca 0.06 -0.32 -0.00 0.00 -2.04 0.00 0.00 64.34 62.05 1nco n VAL 40 Cb 0.47 1.20 -0.01 0.00 -1.47 0.00 0.00 33.84 34.04 1nco n VAL 40 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1nco s ASP 41 N -2.02 -0.09 0.10 -1.34 2.15 -1.23 -5.01 116.67 109.22 1nco s ASP 41 Ca 0.14 -0.17 -0.31 0.00 0.43 0.00 0.00 52.55 52.65 1nco s ASP 41 Cb 0.14 0.22 -0.09 0.00 -0.30 0.00 0.00 42.92 42.90 1nco s ASP 41 CO 0.44 -0.41 1.59 -0.89 -0.17 0.00 0.00 175.17 175.73 1nco s THR 42 N -2.59 2.98 -0.24 1.71 2.01 -1.26 -1.27 115.64 116.97 1nco s THR 42 Ca 0.13 0.55 0.00 0.00 0.31 0.00 0.00 61.69 62.68 1nco s THR 42 Cb 0.03 -3.35 0.00 0.00 0.01 0.00 0.00 72.50 69.19 1nco s THR 42 CO -0.03 0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.53 1nco n GLY 43 N 3.86 0.32 3.17 4.40 0.00 -1.26 -4.97 105.19 110.70 1nco n GLY 43 Ca 0.15 -0.03 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 1nco n GLY 43 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nco s VAL 44 N -1.41 2.52 -0.19 1.61 1.01 -0.40 -5.08 120.40 118.46 1nco s VAL 44 Ca 0.00 -0.99 -0.04 0.00 0.00 0.00 0.00 61.98 60.95 1nco s VAL 44 Cb 0.00 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 1nco s VAL 44 CO 0.00 0.35 -0.03 -0.22 0.00 0.00 0.00 175.10 175.19 1nco s LEU 45 N 1.30 3.08 -0.09 3.92 2.96 -1.26 -1.30 118.68 127.28 1nco s LEU 45 Ca 0.02 -0.27 -0.00 0.00 -0.22 0.00 0.00 54.13 53.65 1nco s LEU 45 Cb -0.15 -1.77 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 1nco s LEU 45 CO -0.08 0.06 -0.07 0.00 -1.32 0.00 0.00 176.35 174.94 1nco s ALA 46 N 1.03 2.96 0.38 5.97 0.00 -0.51 -4.40 121.76 127.19 1nco s ALA 46 Ca 0.01 -0.87 0.04 0.00 0.00 0.00 0.00 51.96 51.13 1nco s ALA 46 Cb -0.15 -1.30 -0.05 0.00 0.00 0.00 0.00 23.12 21.63 1nco s ALA 46 CO 0.01 0.47 0.06 0.00 0.00 0.00 0.00 175.76 176.30 1nco n ASN 48 N -0.95 4.85 0.13 0.00 4.05 0.03 -1.23 115.26 122.14 1nco n ASN 48 Ca -0.06 -3.39 0.18 0.00 0.45 0.00 0.00 54.58 51.76 1nco n ASN 48 Cb 0.66 -0.96 0.76 0.00 1.23 0.00 0.00 39.78 41.48 1nco n ASN 48 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 177.26 175.76 1nco h PRO 49 N 4.92 0.00 -0.28 1.20 0.13 -1.88 -2.58 132.00 133.51 1nco h PRO 49 Ca 0.19 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.41 1nco h PRO 49 Cb 0.66 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 1nco h PRO 49 CO 1.03 0.00 0.24 0.00 -0.23 0.00 0.00 178.00 179.05 1nco h ALA 50 N 1.73 2.07 -0.36 -0.56 0.00 -1.96 -1.94 119.26 118.24 1nco h ALA 50 Ca 0.15 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1nco h ALA 50 Cb 0.71 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1nco h ALA 50 CO -0.00 -0.39 0.00 -0.25 0.00 0.00 0.00 179.25 178.61 1nco n ASP 51 N -4.08 2.96 -4.72 0.00 8.00 -0.97 -5.04 116.55 112.70 1nco n ASP 51 Ca 0.04 -1.99 -0.37 0.00 0.71 0.00 0.00 54.79 53.18 1nco n ASP 51 Cb 0.40 -0.24 0.07 0.00 -0.02 0.00 0.00 41.12 41.33 1nco n ASP 51 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1nco n PHE 52 N 0.57 1.88 -4.14 1.24 3.01 -0.73 -4.46 117.46 114.82 1nco n PHE 52 Ca 0.12 0.42 -0.06 0.00 1.01 0.00 0.00 57.45 58.94 1nco n PHE 52 Cb 0.43 -2.26 -0.01 0.00 -0.01 0.00 0.00 39.48 37.63 1nco n PHE 52 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1nco n SER 53 N -1.87 2.26 -3.80 4.37 2.88 -0.31 -4.96 113.62 112.19 1nco n SER 53 Ca 0.16 -1.42 -0.09 0.00 -1.33 0.00 0.00 58.87 56.18 1nco n SER 53 Cb 0.48 0.07 -0.04 0.00 -0.75 0.00 0.00 64.21 63.96 1nco n SER 53 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1nco s SER 54 N -1.53 -0.19 0.06 -3.46 1.04 -1.26 -0.75 113.70 107.62 1nco s SER 54 Ca 0.00 -0.59 -0.11 0.00 0.48 0.00 0.00 55.95 55.74 1nco s SER 54 Cb 0.00 0.55 0.01 0.00 0.10 0.00 0.00 66.02 66.68 1nco s SER 54 CO 0.00 -1.03 0.24 0.68 0.98 0.00 0.00 173.24 174.11 1nco s VAL 55 N -3.90 0.11 -0.17 5.02 -7.23 -0.38 -4.91 120.40 108.95 1nco s VAL 55 Ca 0.11 -0.91 0.00 0.00 -1.81 0.00 0.00 61.98 59.37 1nco s VAL 55 Cb -0.00 -1.09 0.00 0.00 0.56 0.00 0.00 36.38 35.85 1nco s VAL 55 CO -0.01 -0.50 -0.16 -0.89 -0.31 0.00 0.00 175.10 173.22 1nco s THR 56 N -3.12 2.51 0.22 5.32 2.01 -1.26 -0.29 115.64 121.04 1nco s THR 56 Ca -0.01 -0.81 -0.32 0.00 0.31 0.00 0.00 61.69 60.87 1nco s THR 56 Cb 0.01 -2.06 -0.12 0.00 0.01 0.00 0.00 72.50 70.34 1nco s THR 56 CO -0.07 0.51 1.69 0.00 -0.69 0.00 0.00 174.62 176.07 1nco s ALA 57 N 1.02 3.90 1.00 7.40 0.00 -0.70 -4.78 121.76 129.60 1nco s ALA 57 Ca -0.02 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.52 1nco s ALA 57 Cb -0.15 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.29 1nco s ALA 57 CO -0.04 -0.93 0.00 -0.40 0.00 0.00 0.00 175.76 174.39 1nco n ASP 58 N 3.65 -0.69 0.28 0.00 5.68 0.16 -1.27 116.55 124.35 1nco n ASP 58 Ca 0.14 -0.63 0.16 0.00 -0.50 0.00 0.00 54.79 53.96 1nco n ASP 58 Cb 0.36 0.00 0.79 0.00 -1.14 0.00 0.00 41.12 41.12 1nco n ASP 58 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1nco h ALA 59 N -2.00 1.13 -0.13 2.12 0.00 -1.94 -1.43 119.26 117.01 1nco h ALA 59 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1nco h ALA 59 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1nco h ALA 59 CO 0.00 0.09 0.00 0.09 0.00 0.00 0.00 179.25 179.43 1nco n ASN 60 N -3.36 1.26 0.00 0.00 3.02 -1.26 -4.83 115.26 110.08 1nco n ASN 60 Ca -0.01 -1.66 0.00 0.00 -0.03 0.00 0.00 54.58 52.88 1nco n ASN 60 Cb 0.24 -0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 1nco n ASN 60 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nco n GLY 61 N 1.04 0.50 3.76 7.41 0.00 -0.54 -4.61 105.19 112.75 1nco n GLY 61 Ca 0.15 -0.14 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 1nco n GLY 61 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1nco s SER 62 N -2.13 5.32 0.14 1.61 0.01 -1.26 -1.86 113.70 115.53 1nco s SER 62 Ca 0.00 -0.17 -0.24 0.00 1.31 0.00 0.00 55.95 56.85 1nco s SER 62 Cb 0.00 -1.34 0.07 0.00 0.21 0.00 0.00 66.02 64.96 1nco s SER 62 CO 0.00 0.10 0.65 0.00 0.41 0.00 0.00 173.24 174.40 1nco s ALA 63 N -1.65 -1.62 0.08 1.44 0.00 -0.83 -0.67 121.76 118.51 1nco s ALA 63 Ca 0.30 0.54 -0.15 0.00 0.00 0.00 0.00 51.96 52.64 1nco s ALA 63 Cb -0.10 0.81 0.03 0.00 0.00 0.00 0.00 23.12 23.85 1nco s ALA 63 CO 0.22 -0.77 0.34 -1.54 0.00 0.00 0.00 175.76 174.01 1nco s SER 64 N -2.72 -0.16 0.12 0.00 1.04 -1.26 -0.72 113.70 110.01 1nco s SER 64 Ca 0.02 -0.27 -0.06 0.00 0.48 0.00 0.00 55.95 56.13 1nco s SER 64 Cb -0.01 0.41 0.02 0.00 0.10 0.00 0.00 66.02 66.54 1nco s SER 64 CO -0.11 -0.73 0.30 1.07 0.98 0.00 0.00 173.24 174.75 1nco n THR 65 N 0.18 0.00 -4.52 2.02 5.66 -0.66 -4.93 114.28 112.03 1nco n THR 65 Ca -0.17 -0.32 -0.24 0.00 -3.05 0.00 0.00 64.05 60.27 1nco n THR 65 Cb 0.61 0.34 -0.10 0.00 -1.55 0.00 0.00 70.33 69.63 1nco n THR 65 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1nco s SER 66 N -1.77 2.91 -0.18 1.09 1.04 -1.26 -0.74 113.70 114.78 1nco s SER 66 Ca 0.06 -1.41 -0.10 0.00 0.48 0.00 0.00 55.95 54.99 1nco s SER 66 Cb -0.02 -0.11 0.06 0.00 0.10 0.00 0.00 66.02 66.05 1nco s SER 66 CO 0.04 -0.59 0.43 -0.22 0.98 0.00 0.00 173.24 173.88 1nco s LEU 67 N -3.58 -0.19 -0.18 2.42 2.96 0.35 -4.72 118.68 115.76 1nco s LEU 67 Ca 0.34 0.95 -0.28 0.00 -0.22 0.00 0.00 54.13 54.92 1nco s LEU 67 Cb 0.08 1.43 -0.01 0.00 0.50 0.00 0.00 46.19 48.20 1nco s LEU 67 CO 0.16 -0.20 0.95 -0.89 -1.32 0.00 0.00 176.35 175.04 1nco s THR 68 N 1.48 4.79 0.24 3.68 2.01 -1.26 -1.08 115.64 125.49 1nco s THR 68 Ca -0.09 1.87 -0.04 0.00 0.31 0.00 0.00 61.69 63.74 1nco s THR 68 Cb -0.08 -4.24 -0.05 0.00 0.01 0.00 0.00 72.50 68.14 1nco s THR 68 CO -0.13 -0.05 0.47 0.68 -0.69 0.00 0.00 174.62 174.90 1nco s VAL 69 N 2.50 5.10 -0.04 3.82 -7.23 0.06 -4.88 120.40 119.74 1nco s VAL 69 Ca 0.43 -0.07 0.04 0.00 -1.81 0.00 0.00 61.98 60.57 1nco s VAL 69 Cb -0.16 -3.71 -0.00 0.00 0.56 0.00 0.00 36.38 33.06 1nco s VAL 69 CO 0.11 -0.21 -0.15 -0.13 -0.31 0.00 0.00 175.10 174.42 1nco s ARG 70 N -3.32 1.51 0.27 4.82 1.81 -1.26 -0.50 118.95 122.29 1nco s ARG 70 Ca 0.42 -0.52 -0.04 0.00 -1.72 0.00 0.00 55.73 53.87 1nco s ARG 70 Cb -0.11 -1.34 0.35 0.00 -0.45 0.00 0.00 34.95 33.40 1nco s ARG 70 CO 0.28 0.21 1.92 -0.09 -0.68 0.00 0.00 175.30 176.94 1nco h ARG 71 N 6.26 1.14 -4.09 3.54 2.43 -1.93 -3.44 114.38 118.29 1nco h ARG 71 Ca -0.33 -0.10 -0.14 0.00 -0.81 0.00 0.00 59.98 58.59 1nco h ARG 71 Cb 1.17 -0.24 -0.18 0.00 -0.42 0.00 0.00 29.97 30.30 1nco h ARG 71 CO 0.48 0.80 -0.67 -1.54 -1.51 0.00 0.00 179.97 177.53 1nco s SER 72 N -6.29 0.35 0.17 -3.80 1.04 -1.26 -0.67 113.70 103.25 1nco s SER 72 Ca -0.12 -0.74 -0.17 0.00 0.48 0.00 0.00 55.95 55.40 1nco s SER 72 Cb 0.17 0.16 0.03 0.00 0.10 0.00 0.00 66.02 66.48 1nco s SER 72 CO 0.81 -0.46 0.47 0.72 0.98 0.00 0.00 173.24 175.76 1nco s PHE 73 N -2.75 -0.12 -0.44 5.02 -0.71 -0.23 -4.96 117.98 113.79 1nco s PHE 73 Ca -0.04 -0.21 -0.27 0.00 -1.04 0.00 0.00 56.93 55.37 1nco s PHE 73 Cb -0.01 0.33 0.02 0.00 -1.21 0.00 0.00 43.02 42.16 1nco s PHE 73 CO -0.06 -0.84 1.01 -2.00 -1.34 0.00 0.00 175.22 171.99 1nco s GLU 74 N -3.86 3.70 0.01 1.99 2.56 -1.26 -0.30 118.70 121.54 1nco s GLU 74 Ca 0.08 0.45 -0.30 0.00 0.00 0.00 0.00 54.97 55.20 1nco s GLU 74 Cb 0.00 -3.88 -0.04 0.00 2.00 0.00 0.00 34.13 32.21 1nco s GLU 74 CO -0.06 -1.20 1.05 0.20 -0.56 0.00 0.00 175.26 174.69 1nco s GLY 75 N 2.21 2.71 0.06 -1.50 0.00 -0.28 -4.69 107.32 105.84 1nco s GLY 75 Ca 0.42 0.62 0.08 0.00 0.00 0.00 0.00 44.72 45.83 1nco s GLY 75 CO 0.26 1.82 -0.18 -1.36 0.00 0.00 0.00 173.10 173.63 1nco s PHE 76 N 1.12 2.54 0.52 1.90 0.40 -0.37 -0.17 117.98 123.93 1nco s PHE 76 Ca 0.54 -0.27 -0.01 0.00 -0.60 0.00 0.00 56.93 56.59 1nco s PHE 76 Cb -0.23 -1.43 0.01 0.00 0.51 0.00 0.00 43.02 41.89 1nco s PHE 76 CO 0.28 0.29 0.77 -0.51 0.70 0.00 0.00 175.22 176.74 1nco s LEU 77 N -1.63 3.41 0.54 -0.37 1.02 0.71 -0.15 118.68 122.21 1nco s LEU 77 Ca 0.15 0.29 0.23 0.00 0.02 0.00 0.00 54.13 54.82 1nco s LEU 77 Cb -0.10 -3.14 1.42 0.00 0.02 0.00 0.00 46.19 44.38 1nco s LEU 77 CO 0.06 -0.96 2.08 0.15 0.02 0.00 0.00 176.35 177.71 1nco h PHE 78 N 0.13 0.00 -0.12 0.29 3.57 -1.87 -1.89 116.94 117.05 1nco h PHE 78 Ca -0.45 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.05 1nco h PHE 78 Cb 1.27 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.01 1nco h PHE 78 CO 0.42 0.00 0.00 -0.40 -2.23 0.00 0.00 178.31 176.10 1nco n ASP 79 N -4.31 0.87 0.00 0.41 5.68 -1.26 -4.86 116.55 113.09 1nco n ASP 79 Ca 0.03 -2.03 0.00 0.00 -0.50 0.00 0.00 54.79 52.29 1nco n ASP 79 Cb 0.34 -0.16 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 1nco n ASP 79 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1nco n GLY 80 N 0.60 1.59 3.88 6.12 0.00 -0.71 -5.03 105.19 111.64 1nco n GLY 80 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1nco n GLY 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1nco s THR 81 N -2.99 4.81 0.01 2.61 -4.23 -1.26 -4.83 115.64 109.76 1nco s THR 81 Ca 0.00 0.53 -0.22 0.00 -1.18 0.00 0.00 61.69 60.82 1nco s THR 81 Cb 0.00 -3.76 -0.05 0.00 1.34 0.00 0.00 72.50 70.02 1nco s THR 81 CO 0.00 -0.60 0.67 -0.60 -0.54 0.00 0.00 174.62 173.55 1nco s ARG 82 N -4.06 4.40 -0.14 3.99 3.52 -1.26 -0.20 118.95 125.19 1nco s ARG 82 Ca 0.50 0.87 -0.13 0.00 -0.13 0.00 0.00 55.73 56.85 1nco s ARG 82 Cb -0.10 -3.36 -0.10 0.00 -1.56 0.00 0.00 34.95 29.82 1nco s ARG 82 CO 0.35 0.30 0.18 2.35 -0.81 0.00 0.00 175.30 177.67 1nco h TRP 83 N 5.77 0.00 0.00 5.12 7.01 -0.89 -3.46 115.95 129.50 1nco h TRP 83 Ca -0.44 0.00 0.00 0.00 2.11 0.00 0.00 58.89 60.56 1nco h TRP 83 Cb 1.20 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.26 1nco h TRP 83 CO 0.65 0.50 0.00 0.41 -2.79 0.00 0.00 178.44 177.21 1nco n GLY 84 N 1.64 -0.77 3.79 2.65 0.00 -1.22 -5.03 105.19 106.26 1nco n GLY 84 Ca -0.10 -1.19 -0.35 0.00 0.00 0.00 0.00 46.02 44.38 1nco n GLY 84 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1nco s THR 85 N -2.00 3.92 -0.17 2.61 -1.32 -1.26 -1.12 115.64 116.30 1nco s THR 85 Ca 0.00 1.35 -0.01 0.00 -1.21 0.00 0.00 61.69 61.82 1nco s THR 85 Cb 0.00 -3.64 -0.00 0.00 -1.51 0.00 0.00 72.50 67.35 1nco s THR 85 CO 0.00 -0.11 -0.12 -0.69 -2.21 0.00 0.00 174.62 171.49 1nco s VAL 86 N -1.84 2.89 -0.34 5.08 1.01 0.59 -4.83 120.40 122.96 1nco s VAL 86 Ca 0.60 -0.69 -0.09 0.00 0.00 0.00 0.00 61.98 61.81 1nco s VAL 86 Cb -0.18 -2.24 0.02 0.00 0.00 0.00 0.00 36.38 33.98 1nco s VAL 86 CO 0.22 0.50 0.15 -0.62 0.00 0.00 0.00 175.10 175.35 1nco s ASP 87 N 0.88 5.49 0.00 3.32 -1.08 -1.26 -1.07 116.67 122.95 1nco s ASP 87 Ca -0.03 -0.86 0.24 0.00 -0.52 0.00 0.00 52.55 51.38 1nco s ASP 87 Cb -0.15 -1.96 1.38 0.00 -1.46 0.00 0.00 42.92 40.73 1nco s ASP 87 CO -0.00 -0.29 1.78 0.00 0.52 0.00 0.00 175.17 177.17 1nco h THR 89 N 0.00 0.04 -0.01 0.00 1.35 -1.94 -3.37 112.91 108.99 1nco h THR 89 Ca 0.00 -1.08 0.00 0.00 -0.55 0.00 0.00 66.41 64.78 1nco h THR 89 Cb 0.03 1.64 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 1nco h THR 89 CO 0.00 0.02 -0.02 0.35 -0.25 0.00 0.00 175.52 175.62 1nco n THR 90 N -2.78 0.00 -4.24 6.82 -2.24 -0.80 -5.00 114.28 106.04 1nco n THR 90 Ca 0.00 -0.49 -0.18 0.00 -2.27 0.00 0.00 64.05 61.12 1nco n THR 90 Cb 0.57 1.15 -0.11 0.00 -2.10 0.00 0.00 70.33 69.84 1nco n THR 90 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1nco s ALA 91 N -0.72 1.51 -0.87 6.98 0.00 0.11 -5.01 121.76 123.76 1nco s ALA 91 Ca 0.09 -1.32 -0.19 0.00 0.00 0.00 0.00 51.96 50.54 1nco s ALA 91 Cb 0.06 -0.07 0.12 0.00 0.00 0.00 0.00 23.12 23.24 1nco s ALA 91 CO 0.11 0.09 1.08 0.00 0.00 0.00 0.00 175.76 177.03 1nco s ALA 92 N -2.25 3.34 0.51 0.00 0.00 -1.26 -4.41 121.76 117.69 1nco s ALA 92 Ca 0.10 -2.60 -0.09 0.00 0.00 0.00 0.00 51.96 49.36 1nco s ALA 92 Cb -0.04 -3.99 -0.05 0.00 0.00 0.00 0.00 23.12 19.04 1nco s ALA 92 CO 0.03 -2.91 0.88 0.00 0.00 0.00 0.00 175.76 173.76 1nco s GLN 94 N -4.63 0.70 -0.06 0.00 -0.21 0.13 -2.09 119.66 113.50 1nco s GLN 94 Ca 0.52 -0.99 0.03 0.00 0.02 0.00 0.00 55.36 54.94 1nco s GLN 94 Cb -0.10 0.27 0.01 0.00 1.00 0.00 0.00 33.01 34.18 1nco s GLN 94 CO 0.44 -0.19 -0.15 0.08 -2.12 0.00 0.00 175.29 173.35 1nco s VAL 95 N -3.56 1.28 0.00 1.09 1.01 -0.31 -1.47 120.40 118.45 1nco s VAL 95 Ca 0.03 -0.59 0.00 0.00 0.00 0.00 0.00 61.98 61.42 1nco s VAL 95 Cb 0.04 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.28 1nco s VAL 95 CO -0.09 0.38 0.00 0.61 0.00 0.00 0.00 175.10 176.00 1nco n GLY 96 N 3.55 2.34 3.19 4.51 0.00 -0.35 -1.40 105.19 117.03 1nco n GLY 96 Ca -0.21 -1.12 -0.21 0.00 0.00 0.00 0.00 46.02 44.48 1nco n GLY 96 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nco s LEU 97 N 0.00 2.20 -0.17 0.99 1.02 -1.26 -1.15 118.68 120.32 1nco s LEU 97 Ca 0.00 -0.52 -0.11 0.00 0.02 0.00 0.00 54.13 53.52 1nco s LEU 97 Cb 0.00 -0.70 0.06 0.00 0.02 0.00 0.00 46.19 45.56 1nco s LEU 97 CO 0.00 0.05 0.42 -0.55 0.02 0.00 0.00 176.35 176.29 1nco s SER 98 N -1.33 -0.51 0.82 2.29 0.15 0.49 -4.27 113.70 111.33 1nco s SER 98 Ca 0.03 0.90 -0.05 0.00 0.70 0.00 0.00 55.95 57.53 1nco s SER 98 Cb -0.09 0.81 0.10 0.00 -1.71 0.00 0.00 66.02 65.13 1nco s SER 98 CO 0.02 -0.18 0.62 -0.90 1.20 0.00 0.00 173.24 174.00 1nco n ASP 99 N 3.92 0.33 0.27 5.45 5.68 0.13 -0.20 116.55 132.13 1nco n ASP 99 Ca -0.21 -1.40 0.13 0.00 -0.50 0.00 0.00 54.79 52.81 1nco n ASP 99 Cb 0.56 -0.45 0.74 0.00 -1.14 0.00 0.00 41.12 40.83 1nco n ASP 99 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1nco h ALA 100 N -1.32 1.35 -0.01 2.12 0.00 -1.89 -1.82 119.26 117.69 1nco h ALA 100 Ca -0.20 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1nco h ALA 100 Cb 0.63 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.40 1nco h ALA 100 CO 0.17 0.13 -0.04 0.00 0.00 0.00 0.00 179.25 179.51 1nco n ALA 101 N -2.30 2.68 -0.16 0.00 0.00 -1.26 -4.90 120.51 114.57 1nco n ALA 101 Ca -0.02 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.06 1nco n ALA 101 Cb 0.21 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.40 1nco n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nco n GLY 102 N 1.17 0.80 3.91 0.00 0.00 -0.68 -5.07 105.19 105.32 1nco n GLY 102 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 1nco n GLY 102 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1nco s ASN 103 N -2.35 6.41 0.00 1.61 0.01 -1.26 -4.74 114.94 114.62 1nco s ASN 103 Ca 0.00 0.39 0.00 0.00 -0.71 0.00 0.00 52.86 52.54 1nco s ASN 103 Cb 0.00 -2.01 0.00 0.00 0.41 0.00 0.00 41.25 39.65 1nco s ASN 103 CO 0.00 0.13 0.00 0.61 -1.51 0.00 0.00 177.10 176.33 1nco n GLY 104 N 0.25 -2.06 3.57 0.66 0.00 -1.26 -0.69 105.19 105.66 1nco n GLY 104 Ca -0.04 -1.23 -0.30 0.00 0.00 0.00 0.00 46.02 44.45 1nco n GLY 104 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1nco s PRO 105 N -1.87 -0.10 0.39 1.61 0.02 -1.26 -4.91 135.00 128.88 1nco s PRO 105 Ca 0.00 1.20 -0.26 0.00 0.02 0.00 0.00 61.00 61.96 1nco s PRO 105 Cb 0.00 -1.62 -0.09 0.00 0.02 0.00 0.00 34.50 32.81 1nco s PRO 105 CO 0.00 -3.28 1.27 -2.00 -0.33 0.00 0.00 177.00 172.66 1nco s GLU 106 N -4.52 4.03 0.71 5.54 2.56 -1.26 -4.70 118.70 121.05 1nco s GLU 106 Ca 0.68 2.08 -0.16 0.00 0.00 0.00 0.00 54.97 57.57 1nco s GLU 106 Cb -0.24 -2.78 0.02 0.00 2.00 0.00 0.00 34.13 33.13 1nco s GLU 106 CO 0.62 -0.41 1.23 0.41 -0.56 0.00 0.00 175.26 176.55 1nco n GLY 107 N 0.69 0.27 3.51 -1.50 0.00 -1.26 -4.60 105.19 102.30 1nco n GLY 107 Ca 0.03 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.43 1nco n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nco s VAL 108 N -1.66 4.20 0.38 1.61 1.01 -0.49 -4.90 120.40 120.55 1nco s VAL 108 Ca 0.79 -0.23 -0.27 0.00 0.00 0.00 0.00 61.98 62.26 1nco s VAL 108 Cb -0.35 -2.89 -0.10 0.00 0.00 0.00 0.00 36.38 33.04 1nco s VAL 108 CO 0.44 0.44 1.35 0.00 0.00 0.00 0.00 175.10 177.34 1nco s ALA 109 N 0.77 3.39 0.13 5.51 0.00 -1.26 -1.16 121.76 129.13 1nco s ALA 109 Ca 0.01 1.33 0.05 0.00 0.00 0.00 0.00 51.96 53.35 1nco s ALA 109 Cb -0.14 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.42 1nco s ALA 109 CO 0.02 -0.86 -0.12 0.96 0.00 0.00 0.00 175.76 175.77 1nco s ILE 110 N -1.19 1.21 0.02 0.00 -4.36 -0.89 -4.87 121.20 111.12 1nco s ILE 110 Ca 0.54 -1.82 -0.07 0.00 -0.26 0.00 0.00 60.65 59.05 1nco s ILE 110 Cb -0.41 -1.60 -0.00 0.00 1.25 0.00 0.00 42.46 41.70 1nco s ILE 110 CO 0.54 -0.55 0.12 -0.94 0.24 0.00 0.00 174.94 174.35 1nco s SER 111 N -2.70 0.08 0.15 4.36 1.04 -0.25 -4.42 113.70 111.96 1nco s SER 111 Ca 0.11 -0.32 0.03 0.00 0.48 0.00 0.00 55.95 56.25 1nco s SER 111 Cb -0.02 0.21 -0.04 0.00 0.10 0.00 0.00 66.02 66.28 1nco s SER 111 CO 0.02 -0.42 0.25 -0.36 0.98 0.00 0.00 173.24 173.71 1nco s PHE 112 N -1.80 3.40 -2.00 5.02 0.40 -1.26 -1.27 117.98 120.48 1nco s PHE 112 Ca -0.12 0.08 0.16 0.00 -0.60 0.00 0.00 56.93 56.46 1nco s PHE 112 Cb -0.06 -1.63 0.96 0.00 0.51 0.00 0.00 43.02 42.81 1nco s PHE 112 CO -0.01 0.52 1.37 -1.71 0.70 0.00 0.00 175.22 176.09