#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nco n ALA 2 N 0.00 0.73 -1.77 0.00 0.00 -1.26 -4.76 120.51 113.45 1nco n ALA 2 Ca 0.00 0.15 -0.39 0.00 0.00 0.00 0.00 53.44 53.20 1nco n ALA 2 Cb 0.00 -2.19 -0.01 0.00 0.00 0.00 0.00 19.45 17.25 1nco n ALA 2 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1nco s PRO 3 N -2.44 4.06 0.11 0.00 0.04 -1.26 -4.68 135.00 130.83 1nco s PRO 3 Ca 0.68 2.09 0.07 0.00 0.04 0.00 0.00 61.00 63.88 1nco s PRO 3 Cb -0.48 -2.80 -0.04 0.00 0.04 0.00 0.00 34.50 31.23 1nco s PRO 3 CO 0.53 -0.39 -0.18 0.95 0.04 0.00 0.00 177.00 177.94 1nco s THR 4 N -1.27 1.57 0.02 1.26 -4.23 -0.24 -4.52 115.64 108.23 1nco s THR 4 Ca 0.55 -1.57 0.08 0.00 -1.18 0.00 0.00 61.69 59.57 1nco s THR 4 Cb -0.37 -1.50 -0.02 0.00 1.34 0.00 0.00 72.50 71.95 1nco s THR 4 CO 0.47 -0.17 -0.23 0.00 -0.54 0.00 0.00 174.62 174.15 1nco s ALA 5 N -1.41 1.97 -0.01 3.99 0.00 -1.26 -1.25 121.76 123.79 1nco s ALA 5 Ca 0.06 -1.09 0.04 0.00 0.00 0.00 0.00 51.96 50.97 1nco s ALA 5 Cb -0.09 -0.45 -0.01 0.00 0.00 0.00 0.00 23.12 22.58 1nco s ALA 5 CO 0.04 0.47 -0.13 0.99 0.00 0.00 0.00 175.76 177.13 1nco s THR 6 N -0.68 1.03 -0.10 0.00 2.01 -0.02 -4.91 115.64 112.97 1nco s THR 6 Ca 0.09 -0.55 0.01 0.00 0.31 0.00 0.00 61.69 61.55 1nco s THR 6 Cb -0.09 -0.87 0.02 0.00 0.01 0.00 0.00 72.50 71.57 1nco s THR 6 CO 0.01 0.30 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.44 1nco s VAL 7 N -0.22 1.11 -0.06 3.82 1.01 -1.26 -1.25 120.40 123.55 1nco s VAL 7 Ca 0.03 -0.39 0.00 0.00 0.00 0.00 0.00 61.98 61.63 1nco s VAL 7 Cb -0.06 -1.08 0.02 0.00 0.00 0.00 0.00 36.38 35.27 1nco s VAL 7 CO -0.00 0.37 -0.05 -0.89 0.00 0.00 0.00 175.10 174.53 1nco s THR 8 N 1.29 0.67 0.82 3.92 2.01 -0.21 -3.76 115.64 120.38 1nco s THR 8 Ca -0.03 -0.15 -0.11 0.00 0.31 0.00 0.00 61.69 61.71 1nco s THR 8 Cb -0.14 -0.71 0.08 0.00 0.01 0.00 0.00 72.50 71.75 1nco s THR 8 CO -0.04 0.28 1.09 -2.16 -0.69 0.00 0.00 174.62 173.10 1nco s PRO 9 N 1.24 1.89 0.00 4.92 0.04 -1.26 -0.98 135.00 140.84 1nco s PRO 9 Ca -0.05 0.84 0.00 0.00 0.04 0.00 0.00 61.00 61.82 1nco s PRO 9 Cb -0.14 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1nco s PRO 9 CO -0.02 -1.81 0.50 -1.13 0.04 0.00 0.00 177.00 174.59 1nco n SER 10 N -3.59 1.01 -4.16 6.66 3.41 -1.25 -4.86 113.62 110.84 1nco n SER 10 Ca 0.07 -1.01 -0.11 0.00 -0.26 0.00 0.00 58.87 57.56 1nco n SER 10 Cb 0.55 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.41 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 -0.01 0.11 -1.62 4.04 1.04 -1.26 -1.15 113.70 114.85 1nco s SER 11 Ca 0.00 -1.31 -0.03 0.00 0.48 0.00 0.00 55.95 55.10 1nco s SER 11 Cb 0.00 0.41 0.01 0.00 0.10 0.00 0.00 66.02 66.54 1nco s SER 11 CO 0.00 -0.89 0.34 0.61 0.98 0.00 0.00 173.24 174.28 1nco n GLY 12 N -0.29 -0.51 3.87 7.32 0.00 -0.95 -4.91 105.19 109.72 1nco n GLY 12 Ca 0.01 0.07 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 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 -6.38 3.80 0.43 0.99 1.43 -0.72 -4.89 118.68 113.33 1nco s LEU 13 Ca 0.17 1.16 0.07 0.00 -1.03 0.00 0.00 54.13 54.50 1nco s LEU 13 Cb -0.08 -4.05 -0.05 0.00 0.03 0.00 0.00 46.19 42.04 1nco s LEU 13 CO 0.22 -0.43 0.14 -0.44 0.23 0.00 0.00 176.35 176.07 1nco s SER 14 N -3.20 4.29 0.13 2.29 0.01 -1.26 -3.32 113.70 112.64 1nco s SER 14 Ca 0.52 -1.20 -0.31 0.00 1.31 0.00 0.00 55.95 56.27 1nco s SER 14 Cb -0.10 -0.34 -0.08 0.00 0.21 0.00 0.00 66.02 65.71 1nco s SER 14 CO 0.32 -0.58 1.35 -0.62 0.41 0.00 0.00 173.24 174.13 1nco s ASP 15 N -3.88 6.86 0.00 2.44 2.15 -1.26 -1.89 116.67 121.09 1nco s ASP 15 Ca 0.37 2.32 0.00 0.00 0.43 0.00 0.00 52.55 55.67 1nco s ASP 15 Cb 0.05 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 1nco s ASP 15 CO 0.20 -0.61 0.00 0.61 -0.17 0.00 0.00 175.17 175.20 1nco n GLY 16 N 3.19 0.92 3.76 2.66 0.00 0.13 -4.94 105.19 110.92 1nco n GLY 16 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.63 2.37 -0.24 2.61 2.01 -0.79 -4.63 115.64 114.34 1nco s THR 17 Ca 0.00 0.33 -0.14 0.00 0.31 0.00 0.00 61.69 62.19 1nco s THR 17 Cb 0.00 -3.21 -0.04 0.00 0.01 0.00 0.00 72.50 69.26 1nco s THR 17 CO 0.00 0.06 0.33 -0.69 -0.69 0.00 0.00 174.62 173.63 1nco s VAL 18 N -0.45 5.23 0.17 3.82 1.01 -1.26 -0.79 120.40 128.13 1nco s VAL 18 Ca 0.57 0.51 0.06 0.00 0.00 0.00 0.00 61.98 63.12 1nco s VAL 18 Cb -0.44 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1nco s VAL 18 CO 0.51 0.23 0.06 0.68 0.00 0.00 0.00 175.10 176.58 1nco s VAL 19 N 1.59 4.04 -0.22 2.92 -7.23 0.28 -4.76 120.40 117.02 1nco s VAL 19 Ca 0.14 -1.27 -0.14 0.00 -1.81 0.00 0.00 61.98 58.90 1nco s VAL 19 Cb -0.15 -3.04 -0.04 0.00 0.56 0.00 0.00 36.38 33.70 1nco s VAL 19 CO 0.08 -0.10 0.30 -0.75 -0.31 0.00 0.00 175.10 174.32 1nco s LYS 20 N -2.99 4.12 -0.28 4.82 2.20 -0.16 -0.35 119.74 127.09 1nco s LYS 20 Ca 0.29 -0.01 -0.06 0.00 -0.36 0.00 0.00 55.97 55.83 1nco s LYS 20 Cb -0.10 -3.55 0.00 0.00 -1.51 0.00 0.00 37.83 32.68 1nco s LYS 20 CO 0.21 -0.02 0.06 0.08 -0.36 0.00 0.00 175.35 175.32 1nco s VAL 21 N 1.28 3.90 -0.17 4.02 1.01 -0.11 -1.05 120.40 129.30 1nco s VAL 21 Ca 0.14 -0.64 -0.02 0.00 0.00 0.00 0.00 61.98 61.46 1nco s VAL 21 Cb -0.14 -2.97 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 1nco s VAL 21 CO 0.07 0.14 -0.08 0.00 0.00 0.00 0.00 175.10 175.22 1nco s ALA 22 N 1.50 2.75 0.03 5.51 0.00 -0.38 -2.15 121.76 129.02 1nco s ALA 22 Ca 0.03 -0.98 0.05 0.00 0.00 0.00 0.00 51.96 51.06 1nco s ALA 22 Cb -0.17 -1.44 -0.03 0.00 0.00 0.00 0.00 23.12 21.48 1nco s ALA 22 CO 0.02 0.00 -0.10 0.20 0.00 0.00 0.00 175.76 175.88 1nco s GLY 23 N 0.75 1.72 0.10 0.00 0.00 0.12 -0.84 107.32 109.17 1nco s GLY 23 Ca -0.04 -1.09 -0.06 0.00 0.00 0.00 0.00 44.72 43.53 1nco s GLY 23 CO 0.02 -0.98 0.15 0.00 0.00 0.00 0.00 173.10 172.28 1nco s ALA 24 N -1.02 0.11 -1.01 3.20 0.00 -0.38 -1.73 121.76 120.93 1nco s ALA 24 Ca 0.17 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1nco s ALA 24 Cb -0.11 0.58 0.00 0.00 0.00 0.00 0.00 23.12 23.59 1nco s ALA 24 CO 0.08 -0.51 0.00 0.41 0.00 0.00 0.00 175.76 175.74 1nco n GLY 25 N -0.07 0.48 3.98 0.00 0.00 -1.05 -1.08 105.19 107.46 1nco n GLY 25 Ca -0.12 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.81 3.08 -0.15 0.99 1.43 -0.40 -4.04 118.68 116.78 1nco s LEU 26 Ca 0.00 -0.16 -0.29 0.00 -1.03 0.00 0.00 54.13 52.65 1nco s LEU 26 Cb 0.00 -2.42 -0.01 0.00 0.03 0.00 0.00 46.19 43.79 1nco s LEU 26 CO 0.00 -1.55 1.10 -1.10 0.23 0.00 0.00 176.35 175.03 1nco s GLN 27 N -5.00 4.32 0.27 1.70 -0.21 -1.26 -4.37 119.66 115.11 1nco s GLN 27 Ca 0.62 1.48 -0.31 0.00 0.02 0.00 0.00 55.36 57.18 1nco s GLN 27 Cb -0.08 -3.62 -0.12 0.00 1.00 0.00 0.00 33.01 30.19 1nco s GLN 27 CO 0.42 -0.52 1.59 0.00 -2.12 0.00 0.00 175.29 174.66 1nco n ALA 28 N 5.81 2.39 -0.06 6.09 0.00 -1.26 -1.36 120.51 132.12 1nco n ALA 28 Ca 0.11 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.94 1nco n ALA 28 Cb 0.47 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.47 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 2.45 2.04 3.82 0.00 0.00 0.49 -4.96 105.19 109.04 1nco n GLY 29 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.48 4.39 0.02 2.61 2.01 -0.46 -4.74 115.64 116.99 1nco s THR 30 Ca 0.00 1.49 -0.16 0.00 0.31 0.00 0.00 61.69 63.32 1nco s THR 30 Cb 0.00 -3.69 -0.06 0.00 0.01 0.00 0.00 72.50 68.76 1nco s THR 30 CO 0.00 -0.20 0.46 0.00 -0.69 0.00 0.00 174.62 174.19 1nco s ALA 31 N -2.03 3.67 -0.02 7.40 0.00 -1.26 -0.45 121.76 129.06 1nco s ALA 31 Ca 0.58 -0.14 0.05 0.00 0.00 0.00 0.00 51.96 52.45 1nco s ALA 31 Cb -0.11 -2.46 -0.01 0.00 0.00 0.00 0.00 23.12 20.54 1nco s ALA 31 CO 0.16 0.46 -0.17 0.71 0.00 0.00 0.00 175.76 176.92 1nco s TYR 32 N -1.09 1.56 0.34 0.00 1.51 0.18 -4.42 117.35 115.43 1nco s TYR 32 Ca 0.25 -0.35 -0.26 0.00 -1.01 0.00 0.00 57.07 55.70 1nco s TYR 32 Cb -0.18 -1.02 -0.09 0.00 -0.11 0.00 0.00 41.96 40.56 1nco s TYR 32 CO 0.15 -0.08 1.04 -0.51 -1.11 0.00 0.00 175.55 175.05 1nco s ASP 33 N -0.22 7.06 -0.12 2.29 1.01 0.56 -1.23 116.67 126.03 1nco s ASP 33 Ca 0.03 2.07 0.02 0.00 0.71 0.00 0.00 52.55 55.38 1nco s ASP 33 Cb -0.08 -2.60 0.01 0.00 1.01 0.00 0.00 42.92 41.26 1nco s ASP 33 CO 0.00 -0.28 -0.19 -0.69 0.21 0.00 0.00 175.17 174.22 1nco s VAL 34 N -1.47 1.80 0.14 -1.27 1.01 -0.28 -1.99 120.40 118.34 1nco s VAL 34 Ca 0.51 -0.84 -0.25 0.00 0.00 0.00 0.00 61.98 61.41 1nco s VAL 34 Cb -0.25 -1.61 0.08 0.00 0.00 0.00 0.00 36.38 34.60 1nco s VAL 34 CO 0.31 0.50 1.05 -0.83 0.00 0.00 0.00 175.10 176.13 1nco s GLY 35 N 0.79 -0.11 -0.11 4.51 0.00 -0.69 -0.70 107.32 111.01 1nco s GLY 35 Ca -0.09 0.00 -0.02 0.00 0.00 0.00 0.00 44.72 44.62 1nco s GLY 35 CO 0.00 1.20 -0.04 1.62 0.00 0.00 0.00 173.10 175.89 1nco s GLN 36 N -2.67 3.18 0.12 2.90 0.74 -1.26 -1.31 119.66 121.37 1nco s GLN 36 Ca 0.17 -0.50 -0.08 0.00 0.05 0.00 0.00 55.36 55.00 1nco s GLN 36 Cb -0.01 -2.77 -0.01 0.00 1.10 0.00 0.00 33.01 31.32 1nco s GLN 36 CO 0.03 0.50 0.20 0.00 -0.55 0.00 0.00 175.29 175.47 1nco s ALA 38 N -3.92 0.70 -0.16 0.00 0.00 0.06 -0.67 121.76 117.77 1nco s ALA 38 Ca 0.11 -0.29 -0.29 0.00 0.00 0.00 0.00 51.96 51.49 1nco s ALA 38 Cb 0.05 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.92 1nco s ALA 38 CO -0.06 0.13 1.22 -1.58 0.00 0.00 0.00 175.76 175.48 1nco s TRP 39 N 0.06 2.96 -1.31 0.00 0.51 -1.25 -1.26 118.94 118.65 1nco s TRP 39 Ca -0.01 1.10 0.11 0.00 -2.12 0.00 0.00 56.10 55.18 1nco s TRP 39 Cb -0.06 -3.46 0.08 0.00 -0.81 0.00 0.00 33.47 29.22 1nco s TRP 39 CO -0.00 -1.48 0.82 1.33 -0.51 0.00 0.00 176.95 177.11 1nco n VAL 40 N 5.27 0.00 -3.62 4.03 0.24 0.77 -4.68 118.33 120.34 1nco n VAL 40 Ca 0.13 -0.49 -0.05 0.00 -2.04 0.00 0.00 64.34 61.89 1nco n VAL 40 Cb 0.45 1.21 -0.02 0.00 -1.47 0.00 0.00 33.84 34.02 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 -0.96 -0.25 -0.04 -1.34 -1.08 -1.20 -4.99 116.67 106.81 1nco s ASP 41 Ca 0.12 -0.18 -0.31 0.00 -0.52 0.00 0.00 52.55 51.66 1nco s ASP 41 Cb 0.09 0.40 -0.09 0.00 -1.46 0.00 0.00 42.92 41.85 1nco s ASP 41 CO 0.15 -0.69 1.98 0.41 0.52 0.00 0.00 175.17 177.54 1nco n THR 42 N -0.35 0.66 -1.45 1.71 -1.04 -1.26 -0.59 114.28 111.96 1nco n THR 42 Ca -0.07 -0.17 -0.12 0.00 -2.04 0.00 0.00 64.05 61.65 1nco n THR 42 Cb 0.61 -2.20 -0.05 0.00 -1.82 0.00 0.00 70.33 66.87 1nco n THR 42 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1nco n GLY 43 N 4.70 1.17 2.98 3.41 0.00 -1.26 -4.99 105.19 111.20 1nco n GLY 43 Ca 0.22 -0.45 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.47 1.39 -0.12 1.61 1.01 0.25 -5.09 120.40 116.97 1nco s VAL 44 Ca 0.00 -0.52 -0.04 0.00 0.00 0.00 0.00 61.98 61.42 1nco s VAL 44 Cb 0.00 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 1nco s VAL 44 CO 0.00 0.43 0.02 -0.76 0.00 0.00 0.00 175.10 174.79 1nco s LEU 45 N 1.55 3.65 -0.19 3.92 1.43 -1.26 -0.16 118.68 127.62 1nco s LEU 45 Ca 0.05 0.12 -0.02 0.00 -1.03 0.00 0.00 54.13 53.25 1nco s LEU 45 Cb -0.13 -1.87 -0.00 0.00 0.03 0.00 0.00 46.19 44.22 1nco s LEU 45 CO -0.10 0.30 -0.10 0.00 0.23 0.00 0.00 176.35 176.69 1nco s ALA 46 N -0.42 2.66 0.40 4.21 0.00 -0.39 -4.21 121.76 124.02 1nco s ALA 46 Ca 0.08 -1.10 0.08 0.00 0.00 0.00 0.00 51.96 51.02 1nco s ALA 46 Cb -0.12 -1.46 -0.03 0.00 0.00 0.00 0.00 23.12 21.50 1nco s ALA 46 CO 0.02 -0.23 0.28 0.00 0.00 0.00 0.00 175.76 175.83 1nco n ASN 48 N -1.39 5.42 0.30 0.00 5.15 -0.12 -0.88 115.26 123.74 1nco n ASN 48 Ca 0.01 -3.27 0.18 0.00 -0.60 0.00 0.00 54.58 50.90 1nco n ASN 48 Cb 0.63 -1.17 0.94 0.00 -0.53 0.00 0.00 39.78 39.65 1nco n ASN 48 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 1nco h PRO 49 N 5.66 0.00 0.00 1.20 0.13 -1.86 -2.29 132.00 134.83 1nco h PRO 49 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1nco h PRO 49 Cb 0.72 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.85 1nco h PRO 49 CO 1.10 0.03 0.00 0.00 -0.23 0.00 0.00 178.00 178.90 1nco h ALA 50 N 1.97 1.00 -0.01 -0.56 0.00 -1.93 -2.12 119.26 117.61 1nco h ALA 50 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1nco h ALA 50 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1nco h ALA 50 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.00 1nco n ASP 51 N -2.66 1.63 -4.73 0.00 8.00 -0.87 -5.05 116.55 112.87 1nco n ASP 51 Ca -0.01 -1.61 -0.41 0.00 0.71 0.00 0.00 54.79 53.47 1nco n ASP 51 Cb 0.13 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 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 -0.28 2.49 -4.43 1.24 3.01 -0.80 -4.60 117.46 114.08 1nco n PHE 52 Ca 0.00 0.49 -0.19 0.00 1.01 0.00 0.00 57.45 58.76 1nco n PHE 52 Cb 0.16 -2.44 -0.04 0.00 -0.01 0.00 0.00 39.48 37.14 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 0.36 2.45 -3.94 4.37 2.88 0.12 -4.95 113.62 114.91 1nco n SER 53 Ca 0.04 -2.36 -0.10 0.00 -1.33 0.00 0.00 58.87 55.12 1nco n SER 53 Cb 0.39 0.32 -0.12 0.00 -0.75 0.00 0.00 64.21 64.04 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 -2.67 0.17 0.02 -3.46 1.04 -1.26 -1.12 113.70 106.41 1nco s SER 54 Ca 0.03 -0.30 0.01 0.00 0.48 0.00 0.00 55.95 56.17 1nco s SER 54 Cb 0.00 0.06 -0.01 0.00 0.10 0.00 0.00 66.02 66.16 1nco s SER 54 CO 0.02 -0.17 -0.04 0.68 0.98 0.00 0.00 173.24 174.71 1nco s VAL 55 N -0.85 0.24 -0.18 5.02 -7.23 -0.36 -4.95 120.40 112.08 1nco s VAL 55 Ca -0.09 -0.60 -0.06 0.00 -1.81 0.00 0.00 61.98 59.42 1nco s VAL 55 Cb -0.06 -0.30 -0.03 0.00 0.56 0.00 0.00 36.38 36.55 1nco s VAL 55 CO -0.01 -0.23 0.03 -0.89 -0.31 0.00 0.00 175.10 173.69 1nco s THR 56 N -0.83 4.42 0.29 5.32 2.01 -1.26 0.48 115.64 126.06 1nco s THR 56 Ca -0.07 -0.16 -0.29 0.00 0.31 0.00 0.00 61.69 61.47 1nco s THR 56 Cb -0.06 -2.98 -0.10 0.00 0.01 0.00 0.00 72.50 69.37 1nco s THR 56 CO -0.00 0.46 1.39 0.00 -0.69 0.00 0.00 174.62 175.78 1nco s ALA 57 N 0.48 3.57 1.05 7.40 0.00 0.40 -4.85 121.76 129.81 1nco s ALA 57 Ca 0.01 1.31 -0.08 0.00 0.00 0.00 0.00 51.96 53.20 1nco s ALA 57 Cb -0.13 -3.53 0.11 0.00 0.00 0.00 0.00 23.12 19.57 1nco s ALA 57 CO 0.02 -0.72 0.51 -0.40 0.00 0.00 0.00 175.76 175.16 1nco n ASP 58 N 1.66 -0.63 0.17 0.00 5.68 0.22 -0.38 116.55 123.27 1nco n ASP 58 Ca 0.04 -1.01 0.05 0.00 -0.50 0.00 0.00 54.79 53.37 1nco n ASP 58 Cb 0.41 -0.42 0.51 0.00 -1.14 0.00 0.00 41.12 40.48 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 -2.09 1.76 -0.12 2.12 0.00 -1.95 0.11 119.26 119.08 1nco h ALA 59 Ca -0.18 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1nco h ALA 59 Cb 0.51 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1nco h ALA 59 CO 0.12 0.19 0.00 0.09 0.00 0.00 0.00 179.25 179.65 1nco n ASN 60 N -4.41 0.96 -0.87 0.00 3.02 -1.26 -4.80 115.26 107.90 1nco n ASN 60 Ca -0.01 -2.04 -0.11 0.00 -0.03 0.00 0.00 54.58 52.38 1nco n ASN 60 Cb 0.17 -0.19 -0.05 0.00 -0.61 0.00 0.00 39.78 39.09 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 0.57 1.24 3.81 7.41 0.00 0.39 -4.69 105.19 113.91 1nco n GLY 61 Ca 0.04 -0.38 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.77 5.47 0.03 1.61 0.01 -1.26 -1.28 113.70 115.51 1nco s SER 62 Ca 0.00 -0.23 -0.21 0.00 1.31 0.00 0.00 55.95 56.82 1nco s SER 62 Cb 0.00 -1.39 0.05 0.00 0.21 0.00 0.00 66.02 64.89 1nco s SER 62 CO 0.00 -0.00 0.48 0.00 0.41 0.00 0.00 173.24 174.13 1nco s ALA 63 N -2.01 -1.23 -0.06 1.44 0.00 -0.70 -0.61 121.76 118.58 1nco s ALA 63 Ca 0.32 0.57 -0.13 0.00 0.00 0.00 0.00 51.96 52.73 1nco s ALA 63 Cb -0.08 0.29 0.03 0.00 0.00 0.00 0.00 23.12 23.35 1nco s ALA 63 CO 0.24 -0.44 0.31 -1.12 0.00 0.00 0.00 175.76 174.75 1nco s SER 64 N -1.80 -0.25 0.19 0.00 0.01 -1.26 -0.70 113.70 109.88 1nco s SER 64 Ca -0.07 0.34 -0.24 0.00 1.31 0.00 0.00 55.95 57.29 1nco s SER 64 Cb -0.01 0.47 0.05 0.00 0.21 0.00 0.00 66.02 66.74 1nco s SER 64 CO 0.00 -0.29 0.88 0.28 0.41 0.00 0.00 173.24 174.53 1nco s THR 65 N -0.62 0.00 0.25 1.44 -1.32 -0.91 -4.98 115.64 109.49 1nco s THR 65 Ca -0.07 -0.73 0.05 0.00 -1.21 0.00 0.00 61.69 59.73 1nco s THR 65 Cb -0.04 -1.95 -0.03 0.00 -1.51 0.00 0.00 72.50 68.97 1nco s THR 65 CO 0.02 0.00 0.36 -0.94 -2.21 0.00 0.00 174.62 171.85 1nco s SER 66 N -2.92 6.26 -0.04 8.08 1.04 -1.26 -0.93 113.70 123.93 1nco s SER 66 Ca 0.11 0.03 -0.03 0.00 0.48 0.00 0.00 55.95 56.55 1nco s SER 66 Cb -0.03 -1.79 0.02 0.00 0.10 0.00 0.00 66.02 64.32 1nco s SER 66 CO 0.03 -0.10 0.09 -0.22 0.98 0.00 0.00 173.24 174.02 1nco s LEU 67 N -3.99 1.43 -0.21 2.42 2.96 0.52 -4.89 118.68 116.92 1nco s LEU 67 Ca 0.35 0.18 -0.18 0.00 -0.22 0.00 0.00 54.13 54.26 1nco s LEU 67 Cb -0.09 0.27 -0.03 0.00 0.50 0.00 0.00 46.19 46.84 1nco s LEU 67 CO 0.29 -0.06 0.51 -0.89 -1.32 0.00 0.00 176.35 174.88 1nco s THR 68 N 0.36 5.10 0.29 3.68 2.01 -1.26 -0.56 115.64 125.27 1nco s THR 68 Ca -0.03 0.92 0.03 0.00 0.31 0.00 0.00 61.69 62.93 1nco s THR 68 Cb -0.04 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.61 1nco s THR 68 CO -0.01 0.16 0.44 0.68 -0.69 0.00 0.00 174.62 175.20 1nco s VAL 69 N 1.77 5.15 -0.04 3.82 -7.23 0.03 -4.90 120.40 119.00 1nco s VAL 69 Ca 0.23 -0.77 0.03 0.00 -1.81 0.00 0.00 61.98 59.67 1nco s VAL 69 Cb -0.15 -3.85 0.00 0.00 0.56 0.00 0.00 36.38 32.94 1nco s VAL 69 CO 0.09 -0.42 -0.14 -0.13 -0.31 0.00 0.00 175.10 174.19 1nco s ARG 70 N -4.13 1.56 0.23 4.82 1.81 -1.26 -0.69 118.95 121.28 1nco s ARG 70 Ca 0.37 -0.49 -0.05 0.00 -1.72 0.00 0.00 55.73 53.84 1nco s ARG 70 Cb -0.09 -1.35 0.22 0.00 -0.45 0.00 0.00 34.95 33.28 1nco s ARG 70 CO 0.32 0.16 1.73 -0.09 -0.68 0.00 0.00 175.30 176.75 1nco h ARG 71 N 6.44 0.98 -4.55 3.54 2.43 -1.92 -3.43 114.38 117.86 1nco h ARG 71 Ca -0.32 -0.25 -0.31 0.00 -0.81 0.00 0.00 59.98 58.28 1nco h ARG 71 Cb 1.18 -0.12 -0.24 0.00 -0.42 0.00 0.00 29.97 30.36 1nco h ARG 71 CO 0.48 0.91 -0.75 -1.12 -1.51 0.00 0.00 179.97 177.98 1nco s SER 72 N -6.56 0.85 0.07 -3.80 0.01 -1.26 -0.13 113.70 102.88 1nco s SER 72 Ca -0.11 -0.36 -0.22 0.00 1.31 0.00 0.00 55.95 56.58 1nco s SER 72 Cb 0.15 -0.02 0.05 0.00 0.21 0.00 0.00 66.02 66.41 1nco s SER 72 CO 0.83 -0.07 0.51 0.72 0.41 0.00 0.00 173.24 175.64 1nco s PHE 73 N -0.82 -0.41 -0.36 2.43 -0.12 -0.80 -4.99 117.98 112.92 1nco s PHE 73 Ca -0.04 0.39 -0.29 0.00 -0.05 0.00 0.00 56.93 56.94 1nco s PHE 73 Cb -0.07 0.35 0.00 0.00 -0.63 0.00 0.00 43.02 42.68 1nco s PHE 73 CO 0.00 -0.67 1.43 -1.21 -0.05 0.00 0.00 175.22 174.73 1nco s GLU 74 N -2.73 3.66 -0.04 1.99 0.41 -1.26 -0.21 118.70 120.52 1nco s GLU 74 Ca -0.04 1.12 -0.21 0.00 -0.41 0.00 0.00 54.97 55.43 1nco s GLU 74 Cb -0.00 -4.00 -0.05 0.00 -1.78 0.00 0.00 34.13 28.30 1nco s GLU 74 CO -0.04 -1.45 0.61 0.20 -0.49 0.00 0.00 175.26 174.09 1nco s GLY 75 N 3.84 2.58 -0.08 -1.39 0.00 0.24 -4.60 107.32 107.91 1nco s GLY 75 Ca 0.62 0.03 0.03 0.00 0.00 0.00 0.00 44.72 45.40 1nco s GLY 75 CO 0.30 0.89 -0.18 -1.36 0.00 0.00 0.00 173.10 172.76 1nco s PHE 76 N 0.26 2.65 0.89 1.90 0.08 -0.06 -0.19 117.98 123.52 1nco s PHE 76 Ca 0.32 -0.54 -0.13 0.00 0.12 0.00 0.00 56.93 56.70 1nco s PHE 76 Cb -0.18 -1.70 0.13 0.00 -0.57 0.00 0.00 43.02 40.70 1nco s PHE 76 CO 0.16 -0.10 1.16 -0.51 -0.10 0.00 0.00 175.22 175.83 1nco s LEU 77 N -0.13 2.16 0.49 -0.37 1.43 0.29 -0.44 118.68 122.11 1nco s LEU 77 Ca -0.02 0.86 0.27 0.00 -1.03 0.00 0.00 54.13 54.21 1nco s LEU 77 Cb -0.14 -3.21 1.34 0.00 0.03 0.00 0.00 46.19 44.21 1nco s LEU 77 CO 0.04 -2.41 1.84 2.19 0.23 0.00 0.00 176.35 178.24 1nco h PHE 78 N -1.40 0.25 -0.50 0.29 -0.00 -1.89 -0.56 116.94 113.13 1nco h PHE 78 Ca -0.49 0.01 0.00 0.00 -0.00 0.00 0.00 57.97 57.49 1nco h PHE 78 Cb 1.33 -0.07 0.00 0.00 -0.00 0.00 0.00 35.95 37.20 1nco h PHE 78 CO 0.16 0.04 0.00 -0.40 -0.00 0.00 0.00 178.31 178.11 1nco n ASP 79 N -4.38 4.04 0.00 -0.68 5.75 -1.26 -4.93 116.55 115.09 1nco n ASP 79 Ca 0.21 -2.44 0.00 0.00 -0.01 0.00 0.00 54.79 52.56 1nco n ASP 79 Cb 0.94 -0.54 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 1nco n ASP 79 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1nco n GLY 80 N 0.85 1.49 3.72 6.12 0.00 -0.22 -5.03 105.19 112.12 1nco n GLY 80 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 1nco n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nco s THR 81 N -3.15 2.88 0.12 2.61 2.01 -1.26 -4.76 115.64 114.10 1nco s THR 81 Ca 0.00 0.66 -0.31 0.00 0.31 0.00 0.00 61.69 62.35 1nco s THR 81 Cb 0.00 -3.42 -0.08 0.00 0.01 0.00 0.00 72.50 69.00 1nco s THR 81 CO 0.00 0.07 1.40 -0.60 -0.69 0.00 0.00 174.62 174.80 1nco s ARG 82 N 0.68 4.32 -0.19 4.92 3.52 -1.26 -0.55 118.95 130.38 1nco s ARG 82 Ca 0.65 2.09 -0.23 0.00 -0.13 0.00 0.00 55.73 58.11 1nco s ARG 82 Cb -0.41 -3.24 -0.21 0.00 -1.56 0.00 0.00 34.95 29.53 1nco s ARG 82 CO 0.34 -0.44 0.36 2.35 -0.81 0.00 0.00 175.30 177.10 1nco h TRP 83 N 6.74 0.03 0.00 5.12 7.01 -0.92 -3.46 115.95 130.47 1nco h TRP 83 Ca -0.42 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.56 1nco h TRP 83 Cb 1.21 -0.00 0.00 0.00 -2.10 0.00 0.00 29.16 28.27 1nco h TRP 83 CO 0.66 1.39 0.00 0.41 -2.79 0.00 0.00 178.44 178.10 1nco n GLY 84 N 1.50 -0.72 3.67 2.65 0.00 -1.18 -5.00 105.19 106.11 1nco n GLY 84 Ca -0.27 -1.55 -0.43 0.00 0.00 0.00 0.00 46.02 43.78 1nco n GLY 84 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1nco s THR 85 N -2.20 4.65 -0.20 2.61 2.01 -1.26 -0.59 115.64 120.67 1nco s THR 85 Ca 0.00 1.96 -0.19 0.00 0.31 0.00 0.00 61.69 63.77 1nco s THR 85 Cb 0.00 -4.27 -0.03 0.00 0.01 0.00 0.00 72.50 68.21 1nco s THR 85 CO 0.00 -0.10 0.55 -0.69 -0.69 0.00 0.00 174.62 173.69 1nco s VAL 86 N 2.74 5.09 -0.42 3.82 1.01 0.70 -4.89 120.40 128.45 1nco s VAL 86 Ca 0.47 1.01 -0.16 0.00 0.00 0.00 0.00 61.98 63.31 1nco s VAL 86 Cb -0.17 -3.87 0.02 0.00 0.00 0.00 0.00 36.38 32.36 1nco s VAL 86 CO 0.12 0.17 0.34 -0.62 0.00 0.00 0.00 175.10 175.11 1nco s ASP 87 N 1.14 6.13 0.00 3.32 -1.08 -1.26 -1.90 116.67 123.03 1nco s ASP 87 Ca 0.25 -0.87 0.15 0.00 -0.52 0.00 0.00 52.55 51.57 1nco s ASP 87 Cb -0.16 -2.18 0.74 0.00 -1.46 0.00 0.00 42.92 39.87 1nco s ASP 87 CO 0.10 -0.50 1.45 0.00 0.52 0.00 0.00 175.17 176.75 1nco h THR 89 N 0.00 1.47 0.08 0.00 1.35 -1.93 -3.31 112.91 110.57 1nco h THR 89 Ca 0.00 -2.51 -0.33 0.00 -0.55 0.00 0.00 66.41 63.02 1nco h THR 89 Cb 0.18 2.39 -0.03 0.00 -1.73 0.00 0.00 68.15 68.97 1nco h THR 89 CO 0.00 0.74 -1.80 0.74 -0.25 0.00 0.00 175.52 174.95 1nco h THR 90 N 0.13 0.81 -2.36 6.82 2.02 -1.87 -3.49 112.91 114.97 1nco h THR 90 Ca -0.04 -2.56 -0.46 0.00 0.77 0.00 0.00 66.41 64.12 1nco h THR 90 Cb 1.46 2.53 0.01 0.00 -1.74 0.00 0.00 68.15 70.41 1nco h THR 90 CO 0.13 0.74 -0.25 0.00 0.37 0.00 0.00 175.52 176.51 1nco s ALA 91 N -2.58 3.92 -1.18 6.16 0.00 0.54 -5.00 121.76 123.63 1nco s ALA 91 Ca -0.13 -1.18 -0.15 0.00 0.00 0.00 0.00 51.96 50.49 1nco s ALA 91 Cb 0.07 -1.92 0.15 0.00 0.00 0.00 0.00 23.12 21.43 1nco s ALA 91 CO 0.81 -0.08 1.43 0.00 0.00 0.00 0.00 175.76 177.91 1nco s ALA 92 N -2.28 3.81 0.31 0.00 0.00 -1.26 -4.64 121.76 117.71 1nco s ALA 92 Ca 0.43 -3.21 -0.16 0.00 0.00 0.00 0.00 51.96 49.02 1nco s ALA 92 Cb -0.10 -4.18 -0.09 0.00 0.00 0.00 0.00 23.12 18.75 1nco s ALA 92 CO 0.34 -2.88 0.74 0.00 0.00 0.00 0.00 175.76 173.96 1nco s GLN 94 N -2.86 0.65 -0.03 0.00 -2.07 0.15 -1.92 119.66 113.58 1nco s GLN 94 Ca 0.53 -1.13 0.07 0.00 -1.82 0.00 0.00 55.36 53.00 1nco s GLN 94 Cb -0.11 0.24 -0.01 0.00 -1.09 0.00 0.00 33.01 32.03 1nco s GLN 94 CO 0.18 -0.14 -0.23 0.08 -1.32 0.00 0.00 175.29 173.86 1nco s VAL 95 N -3.79 1.79 0.00 3.63 1.01 -0.33 -1.16 120.40 121.55 1nco s VAL 95 Ca 0.05 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.08 1nco s VAL 95 Cb 0.07 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.95 1nco s VAL 95 CO -0.10 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.12 1nco n GLY 96 N 2.65 1.73 2.98 4.51 0.00 -0.43 -0.63 105.19 116.00 1nco n GLY 96 Ca -0.16 -0.91 -0.17 0.00 0.00 0.00 0.00 46.02 44.79 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 2.00 -0.02 0.99 2.01 -1.26 -1.71 118.68 120.70 1nco s LEU 97 Ca 0.00 -0.12 -0.19 0.00 0.01 0.00 0.00 54.13 53.83 1nco s LEU 97 Cb 0.00 -0.33 0.04 0.00 0.01 0.00 0.00 46.19 45.90 1nco s LEU 97 CO 0.00 0.08 0.42 -0.94 1.01 0.00 0.00 176.35 176.91 1nco s SER 98 N -0.13 -0.32 0.28 2.29 1.04 -0.84 -4.00 113.70 112.01 1nco s SER 98 Ca 0.02 0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.69 1nco s SER 98 Cb -0.03 0.38 0.00 0.00 0.10 0.00 0.00 66.02 66.47 1nco s SER 98 CO -0.00 -0.51 0.00 -0.90 0.98 0.00 0.00 173.24 172.80 1nco n ASP 99 N 1.09 0.00 0.09 7.02 5.68 -0.71 -0.32 116.55 129.39 1nco n ASP 99 Ca -0.21 -0.88 0.01 0.00 -0.50 0.00 0.00 54.79 53.21 1nco n ASP 99 Cb 0.57 0.00 0.32 0.00 -1.14 0.00 0.00 41.12 40.87 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 -0.42 1.36 0.00 2.12 0.00 -1.91 -1.37 119.26 119.05 1nco h ALA 100 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1nco h ALA 100 Cb 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1nco h ALA 100 CO 0.00 0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.69 1nco n ALA 101 N -2.48 2.29 -1.02 0.00 0.00 -1.26 -4.87 120.51 113.17 1nco n ALA 101 Ca -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 53.44 53.29 1nco n ALA 101 Cb 0.32 -1.35 -0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 0.35 0.48 3.89 0.00 0.00 -0.51 -5.00 105.19 104.40 1nco n GLY 102 Ca 0.16 -0.41 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.40 6.44 0.00 1.61 -0.87 -1.26 -4.81 114.94 113.64 1nco s ASN 103 Ca 0.00 0.48 0.00 0.00 -1.57 0.00 0.00 52.86 51.77 1nco s ASN 103 Cb 0.00 -2.06 0.00 0.00 -0.02 0.00 0.00 41.25 39.17 1nco s ASN 103 CO 0.00 0.31 0.00 0.61 -2.57 0.00 0.00 177.10 175.45 1nco n GLY 104 N 1.38 -1.70 3.73 0.66 0.00 -1.26 -1.74 105.19 106.24 1nco n GLY 104 Ca -0.14 -1.17 -0.33 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.68 2.01 0.55 1.61 0.02 -1.26 -4.93 135.00 131.32 1nco s PRO 105 Ca 0.00 1.57 -0.21 0.00 0.02 0.00 0.00 61.00 62.38 1nco s PRO 105 Cb 0.00 -1.84 -0.05 0.00 0.02 0.00 0.00 34.50 32.64 1nco s PRO 105 CO 0.00 -1.89 1.26 -1.21 -0.33 0.00 0.00 177.00 174.83 1nco s GLU 106 N -4.24 3.17 0.97 5.54 2.02 -1.26 -4.70 118.70 120.19 1nco s GLU 106 Ca 0.70 1.98 -0.12 0.00 0.02 0.00 0.00 54.97 57.55 1nco s GLU 106 Cb -0.25 -2.15 0.17 0.00 0.10 0.00 0.00 34.13 32.01 1nco s GLU 106 CO 0.49 -1.09 1.08 0.20 0.02 0.00 0.00 175.26 175.97 1nco s GLY 107 N -1.30 1.60 -0.19 -1.39 0.00 -1.26 -4.50 107.32 100.28 1nco s GLY 107 Ca 0.73 -0.04 -0.01 0.00 0.00 0.00 0.00 44.72 45.39 1nco s GLY 107 CO 0.39 0.50 -0.12 0.14 0.00 0.00 0.00 173.10 174.02 1nco s VAL 108 N -2.81 2.80 0.23 1.40 1.01 0.20 -4.92 120.40 118.32 1nco s VAL 108 Ca 0.65 -0.70 -0.32 0.00 0.00 0.00 0.00 61.98 61.62 1nco s VAL 108 Cb -0.20 -2.23 -0.12 0.00 0.00 0.00 0.00 36.38 33.83 1nco s VAL 108 CO 0.59 0.48 1.62 0.00 0.00 0.00 0.00 175.10 177.79 1nco n ALA 109 N 4.54 2.26 -2.43 5.51 0.00 -1.26 -1.18 120.51 127.94 1nco n ALA 109 Ca -0.19 0.40 -0.22 0.00 0.00 0.00 0.00 53.44 53.43 1nco n ALA 109 Cb 0.51 -2.44 -0.11 0.00 0.00 0.00 0.00 19.45 17.41 1nco n ALA 109 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1nco s ILE 110 N 0.58 1.92 -0.02 0.00 -4.36 -0.81 -4.90 121.20 113.61 1nco s ILE 110 Ca 0.71 -2.05 -0.01 0.00 -0.26 0.00 0.00 60.65 59.04 1nco s ILE 110 Cb -0.55 -1.96 0.01 0.00 1.25 0.00 0.00 42.46 41.21 1nco s ILE 110 CO 0.41 -0.38 0.05 -0.55 0.24 0.00 0.00 174.94 174.71 1nco s SER 111 N -2.92 -0.02 0.38 4.36 0.15 -0.30 -4.53 113.70 110.81 1nco s SER 111 Ca 0.19 0.09 0.04 0.00 0.70 0.00 0.00 55.95 56.97 1nco s SER 111 Cb -0.05 0.06 0.04 0.00 -1.71 0.00 0.00 66.02 64.36 1nco s SER 111 CO 0.08 -0.05 0.31 0.49 1.20 0.00 0.00 173.24 175.27 1nco n PHE 112 N 3.40 -1.07 -1.22 3.44 3.01 -1.26 -1.75 117.46 122.01 1nco n PHE 112 Ca -0.17 -1.58 0.00 0.00 1.01 0.00 0.00 57.45 56.72 1nco n PHE 112 Cb 0.57 -0.31 0.00 0.00 -0.01 0.00 0.00 39.48 39.73 1nco n PHE 112 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86