#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2day n SER 2 N 0.00 -2.07 -3.93 1.61 3.41 -1.26 -5.02 113.62 106.35 2day n SER 2 Ca 0.00 -0.07 -0.16 0.00 -0.26 0.00 0.00 58.87 58.38 2day n SER 2 Cb 0.00 -1.09 0.08 0.00 -0.26 0.00 0.00 64.21 62.94 2day n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2day n SER 3 N -2.70 1.12 0.00 4.04 7.64 -1.26 -5.00 113.62 117.46 2day n SER 3 Ca 0.02 -1.90 0.00 0.00 1.01 0.00 0.00 58.87 58.00 2day n SER 3 Cb 0.59 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 2day n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2day n GLY 4 N -0.53 -1.60 0.07 0.23 0.00 -1.26 -4.97 105.19 97.14 2day n GLY 4 Ca 0.12 0.57 -0.13 0.00 0.00 0.00 0.00 46.02 46.58 2day n GLY 4 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2day h SER 5 N 0.00 -0.03 0.06 1.61 4.64 -2.02 -3.38 113.55 114.42 2day h SER 5 Ca 0.00 -0.52 -0.00 0.00 -0.47 0.00 0.00 61.79 60.79 2day h SER 5 Cb 0.00 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 2day h SER 5 CO 0.00 0.52 -0.03 0.28 -0.87 0.00 0.00 176.83 176.73 2day h SER 6 N -0.58 -0.07 0.00 4.97 0.02 -1.99 -3.47 113.55 112.43 2day h SER 6 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2day h SER 6 Cb 0.55 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.10 2day h SER 6 CO 0.01 -0.01 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 2day n GLY 7 N 0.64 1.52 3.03 -3.77 0.00 -1.26 -4.85 105.19 100.50 2day n GLY 7 Ca -0.01 -0.36 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 2day n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2day s GLU 8 N 0.00 0.45 -0.19 1.61 2.12 -1.26 -4.93 118.70 116.50 2day s GLU 8 Ca 0.00 -0.78 0.01 0.00 0.36 0.00 0.00 54.97 54.55 2day s GLU 8 Cb 0.00 -0.03 -0.21 0.00 0.26 0.00 0.00 34.13 34.15 2day s GLU 8 CO 0.00 -0.02 0.07 0.39 -0.54 0.00 0.00 175.26 175.15 2day n GLU 9 N 1.26 0.69 -4.36 4.30 1.02 -1.26 -4.93 120.64 117.36 2day n GLU 9 Ca -0.22 0.19 -0.35 0.00 -0.02 0.00 0.00 57.16 56.76 2day n GLU 9 Cb 0.56 -1.61 -0.09 0.00 -0.02 0.00 0.00 31.44 30.28 2day n GLU 9 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2day s ASP 10 N -6.60 5.25 -0.29 1.62 2.15 -1.26 -5.10 116.67 112.45 2day s ASP 10 Ca -0.26 0.14 -0.08 0.00 0.43 0.00 0.00 52.55 52.77 2day s ASP 10 Cb 0.08 -1.47 0.14 0.00 -0.30 0.00 0.00 42.92 41.36 2day s ASP 10 CO 0.69 0.37 0.62 0.86 -0.17 0.00 0.00 175.17 177.55 2day s TRP 11 N -0.91 -1.34 0.22 -5.34 -0.11 -1.26 -5.03 118.94 105.17 2day s TRP 11 Ca 0.14 2.17 0.06 0.00 1.22 0.00 0.00 56.10 59.69 2day s TRP 11 Cb -0.11 0.73 0.19 0.00 -1.50 0.00 0.00 33.47 32.78 2day s TRP 11 CO 0.03 -0.69 1.51 -0.24 -4.62 0.00 0.00 176.95 172.95 2day h VAL 12 N 6.01 1.45 -0.89 5.86 3.04 -1.98 -3.23 116.25 126.52 2day h VAL 12 Ca -0.19 -2.28 0.10 0.00 -1.01 0.00 0.00 66.70 63.33 2day h VAL 12 Cb 1.11 2.22 -0.12 0.00 -2.01 0.00 0.00 31.29 32.48 2day h VAL 12 CO 0.13 0.66 -0.52 0.25 -1.01 0.00 0.00 177.57 177.08 2day h LEU 13 N 0.09 -1.89 -1.03 3.16 5.85 -1.96 0.31 115.31 119.84 2day h LEU 13 Ca -0.02 0.31 -0.10 0.00 0.84 0.00 0.00 57.88 58.91 2day h LEU 13 Cb 1.24 0.86 -0.01 0.00 0.37 0.00 0.00 40.66 43.12 2day h LEU 13 CO 0.10 -0.27 -0.49 1.55 -0.34 0.00 0.00 178.44 178.99 2day h PRO 14 N -0.07 0.00 -0.40 5.25 0.13 -2.00 -2.45 132.00 132.47 2day h PRO 14 Ca 0.20 -0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.27 2day h PRO 14 Cb 0.49 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.60 2day h PRO 14 CO -0.89 0.49 0.00 0.77 -0.23 0.00 0.00 178.00 178.14 2day h SER 15 N 0.00 0.60 0.01 1.44 0.02 -0.55 -1.92 113.55 113.14 2day h SER 15 Ca -0.00 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 60.82 2day h SER 15 Cb 0.86 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.24 2day h SER 15 CO 0.06 0.67 -0.00 -0.33 -1.14 0.00 0.00 176.83 176.09 2day h GLU 16 N 0.60 -0.01 -0.95 3.45 4.39 -0.61 -3.30 114.58 118.15 2day h GLU 16 Ca 0.12 0.00 0.22 0.00 0.34 0.00 0.00 59.36 60.05 2day h GLU 16 Cb 0.38 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.96 2day h GLU 16 CO 0.01 0.74 0.62 0.28 -1.16 0.00 0.00 179.01 179.51 2day h VAL 17 N -0.97 0.63 -0.66 3.13 2.07 -1.44 0.30 116.25 119.30 2day h VAL 17 Ca -0.00 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 2day h VAL 17 Cb 0.76 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 2day h VAL 17 CO 0.00 0.07 0.36 -0.33 0.02 0.00 0.00 177.57 177.69 2day h GLU 18 N 0.40 0.92 0.10 1.57 4.39 -1.44 0.16 114.58 120.69 2day h GLU 18 Ca 0.51 -0.10 -0.30 0.00 0.34 0.00 0.00 59.36 59.80 2day h GLU 18 Cb 1.28 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.74 2day h GLU 18 CO -0.20 0.68 -1.54 0.28 -1.16 0.00 0.00 179.01 177.06 2day h VAL 19 N 0.92 1.13 0.06 3.13 2.07 -0.66 -3.35 116.25 119.56 2day h VAL 19 Ca 0.23 -2.79 -0.00 0.00 0.82 0.00 0.00 66.70 64.96 2day h VAL 19 Cb 0.03 2.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 2day h VAL 19 CO -0.04 0.80 -0.03 -0.07 0.02 0.00 0.00 177.57 178.26 2day h LEU 20 N 0.06 -0.07 -0.85 2.57 3.38 -0.41 -3.17 115.31 116.82 2day h LEU 20 Ca -0.24 -0.31 0.19 0.00 0.09 0.00 0.00 57.88 57.61 2day h LEU 20 Cb 2.01 0.02 -0.16 0.00 0.09 0.00 0.00 40.66 42.62 2day h LEU 20 CO 0.15 0.28 -0.11 -0.33 0.09 0.00 0.00 178.44 178.52 2day h GLU 21 N -0.42 0.03 -1.06 1.13 4.39 -0.84 0.94 114.58 118.75 2day h GLU 21 Ca -0.01 -0.00 0.28 0.00 0.34 0.00 0.00 59.36 59.97 2day h GLU 21 Cb 0.37 -0.01 -0.08 0.00 -0.10 0.00 0.00 28.75 28.94 2day h GLU 21 CO 0.01 0.02 0.71 1.03 -1.16 0.00 0.00 179.01 179.62 2day h SER 22 N 0.03 0.30 0.00 1.42 0.87 -1.67 1.66 113.55 116.16 2day h SER 22 Ca 0.44 0.06 -0.13 0.00 -1.23 0.00 0.00 61.79 60.93 2day h SER 22 Cb 0.76 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.71 2day h SER 22 CO -0.83 0.06 -0.88 0.40 -0.53 0.00 0.00 176.83 175.05 2day h ILE 23 N 0.27 0.59 -0.73 2.23 2.04 0.62 -3.38 117.51 119.16 2day h ILE 23 Ca 0.57 -1.72 -0.47 0.00 1.00 0.00 0.00 64.86 64.24 2day h ILE 23 Cb 1.70 1.40 -0.21 0.00 -0.74 0.00 0.00 36.82 38.96 2day h ILE 23 CO -0.20 0.20 0.61 -1.22 0.00 0.00 0.00 178.15 177.54 2day n TYR 24 N -4.52 2.34 -0.24 1.37 4.01 0.79 -4.75 117.16 116.16 2day n TYR 24 Ca -0.21 -2.31 -0.06 0.00 -0.16 0.00 0.00 57.90 55.16 2day n TYR 24 Cb 0.50 -1.12 -0.06 0.00 -0.31 0.00 0.00 39.34 38.35 2day n TYR 24 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2day n LEU 25 N -0.34 -0.61 -0.11 7.72 4.77 0.56 -0.73 117.00 128.26 2day n LEU 25 Ca 0.45 1.16 -0.24 0.00 -0.03 0.00 0.00 56.01 57.35 2day n LEU 25 Cb 0.75 -0.20 -0.11 0.00 -2.33 0.00 0.00 43.42 41.52 2day n LEU 25 CO 0.56 -0.90 -1.15 -0.67 -1.33 0.00 0.00 177.39 173.90 2day n ASP 26 N -4.45 1.96 -0.31 -1.43 2.03 -1.26 -4.39 116.55 108.69 2day n ASP 26 Ca 0.01 0.24 0.22 0.00 0.52 0.00 0.00 54.79 55.78 2day n ASP 26 Cb 0.15 -0.77 0.42 0.00 -0.72 0.00 0.00 41.12 40.20 2day n ASP 26 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2day n GLU 27 N -3.98 -0.07 -4.91 -0.67 1.02 -1.16 -4.23 120.64 106.66 2day n GLU 27 Ca -0.45 1.36 -0.26 0.00 -0.02 0.00 0.00 57.16 57.79 2day n GLU 27 Cb 0.89 -2.30 -0.16 0.00 -0.02 0.00 0.00 31.44 29.85 2day n GLU 27 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2day s LEU 28 N -10.53 2.01 0.20 -4.62 0.20 0.09 -4.13 118.68 101.90 2day s LEU 28 Ca -0.10 -0.35 0.07 0.00 0.69 0.00 0.00 54.13 54.44 2day s LEU 28 Cb 0.30 -0.99 -0.04 0.00 -0.43 0.00 0.00 46.19 45.03 2day s LEU 28 CO 0.74 0.21 0.04 -1.10 -0.29 0.00 0.00 176.35 175.95 2day s GLN 29 N -0.31 2.52 -0.02 1.98 -1.52 -0.67 -4.52 119.66 117.12 2day s GLN 29 Ca 0.04 -1.13 -0.01 0.00 -1.95 0.00 0.00 55.36 52.32 2day s GLN 29 Cb -0.09 -2.39 0.01 0.00 -0.22 0.00 0.00 33.01 30.33 2day s GLN 29 CO 0.00 0.43 0.03 0.08 -0.25 0.00 0.00 175.29 175.59 2day s VAL 30 N -1.90 -0.02 -0.36 1.09 1.01 -1.26 -1.99 120.40 116.97 2day s VAL 30 Ca 0.29 0.09 -0.11 0.00 0.00 0.00 0.00 61.98 62.25 2day s VAL 30 Cb -0.09 -0.07 0.02 0.00 0.00 0.00 0.00 36.38 36.25 2day s VAL 30 CO 0.20 0.04 0.19 -0.63 0.00 0.00 0.00 175.10 174.90 2day s ILE 31 N 0.45 4.57 0.33 2.22 -1.09 0.07 -5.01 121.20 122.73 2day s ILE 31 Ca -0.04 -0.76 -0.29 0.00 -2.23 0.00 0.00 60.65 57.33 2day s ILE 31 Cb -0.05 -3.50 -0.10 0.00 -1.58 0.00 0.00 42.46 37.22 2day s ILE 31 CO -0.01 -0.17 1.36 -0.54 -1.23 0.00 0.00 174.94 174.35 2day s LYS 32 N 1.57 4.29 -0.02 2.79 -0.14 -1.26 -3.85 119.74 123.12 2day s LYS 32 Ca 0.03 2.30 0.08 0.00 -1.36 0.00 0.00 55.97 57.01 2day s LYS 32 Cb -0.19 -3.05 -0.02 0.00 -1.68 0.00 0.00 37.83 32.89 2day s LYS 32 CO 0.06 -0.29 -0.25 0.20 -0.76 0.00 0.00 175.35 174.31 2day s GLY 33 N -0.30 1.29 -0.21 -3.33 0.00 -1.26 -5.03 107.32 98.47 2day s GLY 33 Ca 0.51 -1.11 -0.16 0.00 0.00 0.00 0.00 44.72 43.96 2day s GLY 33 CO 0.54 -0.91 -0.30 0.70 0.00 0.00 0.00 173.10 173.13 2day n ASN 34 N 2.45 1.93 -4.62 1.64 3.02 -1.26 -4.91 115.26 113.51 2day n ASN 34 Ca -0.16 0.37 -0.41 0.00 -0.03 0.00 0.00 54.58 54.35 2day n ASN 34 Cb 0.51 -0.79 -0.05 0.00 -0.61 0.00 0.00 39.78 38.84 2day n ASN 34 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2day s GLY 35 N -5.02 1.75 0.50 7.41 0.00 -1.26 -4.92 107.32 105.78 2day s GLY 35 Ca -0.30 -0.37 0.36 0.00 0.00 0.00 0.00 44.72 44.41 2day s GLY 35 CO 0.44 1.68 1.69 0.07 0.00 0.00 0.00 173.10 176.97 2day h ARG 36 N 7.97 0.07 -0.89 2.90 -0.00 -1.91 0.16 114.38 122.69 2day h ARG 36 Ca -0.25 -0.00 0.24 0.00 -0.00 0.00 0.00 59.98 59.97 2day h ARG 36 Cb 1.10 -0.02 -0.14 0.00 -0.00 0.00 0.00 29.97 30.91 2day h ARG 36 CO 0.85 0.05 0.26 1.79 -0.00 0.00 0.00 179.97 182.91 2day h THR 37 N 0.07 0.31 -3.69 0.08 1.35 -1.91 -3.36 112.91 105.77 2day h THR 37 Ca 0.74 -0.07 -0.62 0.00 -0.55 0.00 0.00 66.41 65.90 2day h THR 37 Cb 2.68 0.08 -0.14 0.00 -1.73 0.00 0.00 68.15 69.03 2day h THR 37 CO -0.16 0.04 -0.29 -0.55 -0.25 0.00 0.00 175.52 174.32 2day s SER 38 N -5.08 6.24 0.87 5.36 0.15 0.57 -5.04 113.70 116.78 2day s SER 38 Ca -0.12 0.28 -0.11 0.00 0.70 0.00 0.00 55.95 56.69 2day s SER 38 Cb 0.26 -2.19 0.12 0.00 -1.71 0.00 0.00 66.02 62.49 2day s SER 38 CO 0.77 -0.13 1.09 -2.16 1.20 0.00 0.00 173.24 174.01 2day s PRO 39 N 1.83 1.44 1.14 5.44 0.04 -1.26 -4.80 135.00 138.82 2day s PRO 39 Ca 0.14 0.88 -0.17 0.00 0.04 0.00 0.00 61.00 61.89 2day s PRO 39 Cb -0.15 -1.82 0.26 0.00 0.04 0.00 0.00 34.50 32.82 2day s PRO 39 CO 0.09 -2.13 1.10 -1.58 0.04 0.00 0.00 177.00 174.52 2day s TRP 40 N -2.93 1.04 -0.13 0.56 0.52 -0.68 -4.92 118.94 112.40 2day s TRP 40 Ca 0.63 0.66 -0.10 0.00 0.02 0.00 0.00 56.10 57.31 2day s TRP 40 Cb -0.18 -3.39 0.04 0.00 -1.15 0.00 0.00 33.47 28.79 2day s TRP 40 CO 0.57 -3.56 0.33 -2.00 0.02 0.00 0.00 176.95 172.31 2day s GLU 41 N -5.25 0.35 -0.01 4.98 2.12 -1.25 -3.51 118.70 116.12 2day s GLU 41 Ca 0.69 0.55 0.01 0.00 0.36 0.00 0.00 54.97 56.58 2day s GLU 41 Cb -0.13 0.07 0.01 0.00 0.26 0.00 0.00 34.13 34.34 2day s GLU 41 CO 0.57 -0.10 -0.02 0.42 -0.54 0.00 0.00 175.26 175.58 2day s ILE 42 N 0.69 0.26 0.24 -3.70 1.01 -0.66 -0.75 121.20 118.30 2day s ILE 42 Ca -0.04 -0.07 0.11 0.00 0.00 0.00 0.00 60.65 60.64 2day s ILE 42 Cb -0.05 -0.27 -0.05 0.00 0.01 0.00 0.00 42.46 42.10 2day s ILE 42 CO -0.05 0.11 -0.19 -0.31 0.00 0.00 0.00 174.94 174.50 2day s TYR 43 N 0.34 2.11 -0.29 3.97 2.02 -0.84 -0.97 117.35 123.69 2day s TYR 43 Ca -0.03 -0.40 -0.21 0.00 -0.37 0.00 0.00 57.07 56.05 2day s TYR 43 Cb -0.06 -0.95 0.16 0.00 -0.40 0.00 0.00 41.96 40.71 2day s TYR 43 CO -0.01 0.58 1.17 -1.50 -1.57 0.00 0.00 175.55 174.23 2day s ILE 44 N -2.50 0.00 -0.16 2.71 2.07 -0.74 -1.68 121.20 120.89 2day s ILE 44 Ca 0.26 0.00 -0.10 0.00 -1.41 0.00 0.00 60.65 59.41 2day s ILE 44 Cb -0.04 -1.00 -0.05 0.00 0.13 0.00 0.00 42.46 41.50 2day s ILE 44 CO 0.12 0.00 0.16 -0.89 -1.91 0.00 0.00 174.94 172.42 2day s THR 45 N 0.60 5.42 -0.01 4.00 2.01 -1.26 -0.42 115.64 125.97 2day s THR 45 Ca -0.01 0.26 0.01 0.00 0.31 0.00 0.00 61.69 62.26 2day s THR 45 Cb -0.04 -3.48 0.01 0.00 0.01 0.00 0.00 72.50 69.00 2day s THR 45 CO -0.12 0.50 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.54 2day s LEU 46 N -0.11 1.63 0.01 4.42 1.43 -1.19 -4.99 118.68 119.87 2day s LEU 46 Ca 0.12 -0.03 0.04 0.00 -1.03 0.00 0.00 54.13 53.23 2day s LEU 46 Cb -0.12 -0.14 -0.01 0.00 0.03 0.00 0.00 46.19 45.95 2day s LEU 46 CO 0.01 -0.03 -0.12 -1.38 0.23 0.00 0.00 176.35 175.06 2day s HIS 47 N 0.42 1.09 0.24 0.29 -3.43 -1.26 -3.38 115.29 109.25 2day s HIS 47 Ca -0.04 -0.25 -0.30 0.00 -0.80 0.00 0.00 55.06 53.67 2day s HIS 47 Cb -0.06 -0.68 -0.09 0.00 -1.43 0.00 0.00 32.58 30.32 2day s HIS 47 CO -0.01 -0.00 1.28 -1.25 -2.00 0.00 0.00 174.74 172.75 2day s PRO 48 N -0.57 4.42 -0.27 -0.38 0.04 -1.26 -4.89 135.00 132.09 2day s PRO 48 Ca 0.03 2.05 0.10 0.00 0.04 0.00 0.00 61.00 63.22 2day s PRO 48 Cb -0.06 -3.17 0.49 0.00 0.04 0.00 0.00 34.50 31.80 2day s PRO 48 CO 0.00 -0.17 1.42 0.00 0.04 0.00 0.00 177.00 178.29 2day n ALA 49 N 2.05 4.06 -0.02 8.56 0.00 -1.26 -4.56 120.51 129.34 2day n ALA 49 Ca 0.04 -3.08 -0.02 0.00 0.00 0.00 0.00 53.44 50.37 2day n ALA 49 Cb 0.43 -0.67 -0.02 0.00 0.00 0.00 0.00 19.45 19.19 2day n ALA 49 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2day n THR 50 N -1.09 0.22 -1.13 0.00 5.66 -1.26 -5.01 114.28 111.67 2day n THR 50 Ca 0.30 -0.10 -0.47 0.00 -3.05 0.00 0.00 64.05 60.73 2day n THR 50 Cb 0.97 -0.74 -0.08 0.00 -1.55 0.00 0.00 70.33 68.93 2day n THR 50 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2day n ALA 51 N -2.44 -0.57 -0.08 1.79 0.00 -1.26 -4.83 120.51 113.12 2day n ALA 51 Ca -0.06 0.28 -0.22 0.00 0.00 0.00 0.00 53.44 53.44 2day n ALA 51 Cb 0.58 -1.43 -0.12 0.00 0.00 0.00 0.00 19.45 18.48 2day n ALA 51 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2day n GLU 52 N 3.82 0.61 -3.21 0.00 0.28 -1.26 -4.97 120.64 115.91 2day n GLU 52 Ca 0.29 0.49 0.04 0.00 -0.16 0.00 0.00 57.16 57.82 2day n GLU 52 Cb -0.04 -1.73 -0.02 0.00 1.43 0.00 0.00 31.44 31.08 2day n GLU 52 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2day s ASP 53 N -6.92 -0.63 0.27 -1.84 -1.08 -1.26 -5.16 116.67 100.05 2day s ASP 53 Ca -0.28 0.51 0.03 0.00 -0.52 0.00 0.00 52.55 52.29 2day s ASP 53 Cb 0.06 1.57 -0.04 0.00 -1.46 0.00 0.00 42.92 43.06 2day s ASP 53 CO 0.63 -0.12 0.20 -1.10 0.52 0.00 0.00 175.17 175.30 2day s GLN 54 N 2.80 1.48 0.31 4.34 -1.52 -1.26 -5.03 119.66 120.77 2day s GLN 54 Ca 0.02 -1.83 0.04 0.00 -1.95 0.00 0.00 55.36 51.64 2day s GLN 54 Cb -0.10 0.27 0.80 0.00 -0.22 0.00 0.00 33.01 33.76 2day s GLN 54 CO -0.14 -0.51 1.60 0.38 -0.25 0.00 0.00 175.29 176.37 2day h ASP 55 N 2.37 -0.19 -3.58 5.90 2.03 -1.99 -3.35 116.42 117.62 2day h ASP 55 Ca -0.31 0.24 -0.64 0.00 -0.73 0.00 0.00 57.03 55.59 2day h ASP 55 Cb 1.24 0.37 -0.20 0.00 -0.83 0.00 0.00 39.33 39.91 2day h ASP 55 CO 0.45 -0.28 -0.60 -0.94 -1.03 0.00 0.00 179.24 176.84 2day s SER 56 N -4.98 5.33 0.11 4.15 1.04 -1.26 -4.96 113.70 113.12 2day s SER 56 Ca -0.12 -0.11 0.18 0.00 0.48 0.00 0.00 55.95 56.37 2day s SER 56 Cb 0.28 -1.95 0.76 0.00 0.10 0.00 0.00 66.02 65.21 2day s SER 56 CO 0.78 0.02 1.56 0.00 0.98 0.00 0.00 173.24 176.57 2day n GLN 57 N 4.55 0.08 -4.29 4.02 3.00 -1.26 -4.76 117.38 118.73 2day n GLN 57 Ca -0.16 0.33 -0.15 0.00 -0.01 0.00 0.00 57.00 57.01 2day n GLN 57 Cb 0.52 -1.66 -0.10 0.00 0.00 0.00 0.00 30.24 29.00 2day n GLN 57 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.06 178.58 2day s TYR 58 N -3.14 1.41 -0.29 1.08 1.13 -1.26 -5.04 117.35 111.25 2day s TYR 58 Ca 0.06 -1.06 -0.21 0.00 -1.41 0.00 0.00 57.07 54.45 2day s TYR 58 Cb 0.09 -0.82 0.18 0.00 -1.10 0.00 0.00 41.96 40.31 2day s TYR 58 CO 0.31 -0.22 1.24 0.54 -2.51 0.00 0.00 175.55 174.90 2day s VAL 59 N -3.64 0.00 0.04 -3.49 0.11 -1.26 -4.63 120.40 107.53 2day s VAL 59 Ca 0.30 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 59.08 2day s VAL 59 Cb 0.07 -1.00 0.07 0.00 -1.53 0.00 0.00 36.38 33.99 2day s VAL 59 CO 0.09 0.00 0.65 0.00 -3.33 0.00 0.00 175.10 172.51 2day s PHE 61 N -2.38 -0.31 -0.42 0.00 -0.12 -1.22 -2.94 117.98 110.59 2day s PHE 61 Ca -0.05 0.75 -0.22 0.00 -0.05 0.00 0.00 56.93 57.35 2day s PHE 61 Cb -0.00 0.11 0.02 0.00 -0.63 0.00 0.00 43.02 42.51 2day s PHE 61 CO -0.01 -0.19 0.75 0.99 -0.05 0.00 0.00 175.22 176.71 2day s THR 62 N -0.01 4.71 -0.37 -4.49 2.01 -1.03 -3.20 115.64 113.27 2day s THR 62 Ca -0.02 0.48 -0.27 0.00 0.31 0.00 0.00 61.69 62.19 2day s THR 62 Cb -0.03 -4.26 0.02 0.00 0.01 0.00 0.00 72.50 68.24 2day s THR 62 CO 0.01 -0.61 1.02 -0.22 -0.69 0.00 0.00 174.62 174.13 2day s LEU 63 N 3.13 3.91 -0.15 4.42 0.20 0.44 -1.09 118.68 129.54 2day s LEU 63 Ca 0.28 0.72 -0.02 0.00 0.69 0.00 0.00 54.13 55.81 2day s LEU 63 Cb -0.13 -3.41 -0.02 0.00 -0.43 0.00 0.00 46.19 42.20 2day s LEU 63 CO 0.20 -0.94 -0.09 -0.69 -0.29 0.00 0.00 176.35 174.54 2day s VAL 64 N 3.71 3.35 -0.06 1.68 1.01 0.22 -1.79 120.40 128.53 2day s VAL 64 Ca 0.42 -0.55 0.06 0.00 0.00 0.00 0.00 61.98 61.92 2day s VAL 64 Cb -0.11 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 2day s VAL 64 CO 0.20 0.50 -0.24 -0.76 0.00 0.00 0.00 175.10 174.80 2day s LEU 65 N 0.46 2.11 -0.36 3.92 1.43 -0.14 -1.24 118.68 124.86 2day s LEU 65 Ca -0.07 -0.49 0.01 0.00 -1.03 0.00 0.00 54.13 52.54 2day s LEU 65 Cb -0.15 -1.38 0.10 0.00 0.03 0.00 0.00 46.19 44.79 2day s LEU 65 CO 0.04 0.25 0.11 -1.10 0.23 0.00 0.00 176.35 175.88 2day s GLN 66 N -0.20 1.78 -0.42 1.70 1.11 -0.92 -1.65 119.66 121.06 2day s GLN 66 Ca -0.02 -1.80 -0.26 0.00 0.01 0.00 0.00 55.36 53.29 2day s GLN 66 Cb -0.13 -3.35 0.02 0.00 -1.01 0.00 0.00 33.01 28.53 2day s GLN 66 CO 0.03 -0.96 0.93 0.08 0.01 0.00 0.00 175.29 175.38 2day s VAL 67 N 1.03 4.52 1.24 1.09 1.01 -1.23 -1.57 120.40 126.49 2day s VAL 67 Ca 0.08 0.93 -0.21 0.00 0.00 0.00 0.00 61.98 62.78 2day s VAL 67 Cb -0.21 -4.39 0.30 0.00 0.00 0.00 0.00 36.38 32.08 2day s VAL 67 CO -0.06 -0.72 1.11 -2.16 0.00 0.00 0.00 175.10 173.28 2day s PRO 68 N 3.65 -1.53 0.00 2.72 0.04 -1.26 -1.69 135.00 136.93 2day s PRO 68 Ca 0.37 -0.17 -0.23 0.00 0.04 0.00 0.00 61.00 61.01 2day s PRO 68 Cb -0.11 -1.57 -0.18 0.00 0.04 0.00 0.00 34.50 32.68 2day s PRO 68 CO 0.23 -3.89 1.26 0.00 0.04 0.00 0.00 177.00 174.64 2day h ALA 69 N -2.71 0.11 -0.87 8.56 0.00 -1.95 -3.21 119.26 119.18 2day h ALA 69 Ca -0.43 -0.32 0.22 0.00 0.00 0.00 0.00 54.91 54.38 2day h ALA 69 Cb 1.29 -0.02 -0.13 0.00 0.00 0.00 0.00 17.79 18.93 2day h ALA 69 CO 0.30 -0.03 0.31 0.93 0.00 0.00 0.00 179.25 180.76 2day h GLU 70 N -0.27 0.30 -2.75 0.00 4.39 -1.94 -3.43 114.58 110.88 2day h GLU 70 Ca 0.01 -0.02 -0.31 0.00 0.34 0.00 0.00 59.36 59.38 2day h GLU 70 Cb 0.67 -0.07 0.05 0.00 -0.10 0.00 0.00 28.75 29.31 2day h GLU 70 CO 0.03 0.20 -0.24 0.98 -1.16 0.00 0.00 179.01 178.81 2day n TYR 71 N -5.13 -0.22 0.26 4.33 4.19 -1.22 -1.73 117.16 117.64 2day n TYR 71 Ca 0.21 0.44 0.15 0.00 3.31 0.00 0.00 57.90 62.01 2day n TYR 71 Cb 0.66 -0.90 0.64 0.00 0.49 0.00 0.00 39.34 40.22 2day n TYR 71 CO 0.00 0.00 0.00 -1.00 0.91 0.00 0.00 176.86 176.77 2day h PRO 72 N 0.47 0.00 -0.59 2.98 0.13 -1.91 -3.45 132.00 129.63 2day h PRO 72 Ca -0.13 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 65.19 2day h PRO 72 Cb 0.66 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.68 2day h PRO 72 CO 0.26 0.08 0.09 0.72 -0.23 0.00 0.00 178.00 178.93 2day n HIS 73 N -3.24 0.46 -4.16 1.56 8.25 -0.71 -4.15 115.22 113.23 2day n HIS 73 Ca 0.00 0.70 -0.29 0.00 -0.26 0.00 0.00 57.72 57.87 2day n HIS 73 Cb 0.33 -0.99 -0.08 0.00 1.12 0.00 0.00 29.99 30.37 2day n HIS 73 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2day s GLU 74 N -5.30 2.47 0.13 -0.41 2.12 -1.25 -4.91 118.70 111.56 2day s GLU 74 Ca -0.07 -0.93 -0.20 0.00 0.36 0.00 0.00 54.97 54.13 2day s GLU 74 Cb 0.18 -2.47 -0.07 0.00 0.26 0.00 0.00 34.13 32.03 2day s GLU 74 CO 0.46 0.51 0.63 0.14 -0.54 0.00 0.00 175.26 176.46 2day s VAL 75 N -1.42 4.65 0.02 3.70 -7.23 -1.26 -3.86 120.40 115.01 2day s VAL 75 Ca 0.26 1.26 -0.30 0.00 -1.81 0.00 0.00 61.98 61.39 2day s VAL 75 Cb -0.11 -3.91 -0.06 0.00 0.56 0.00 0.00 36.38 32.86 2day s VAL 75 CO 0.18 0.44 1.43 -2.16 -0.31 0.00 0.00 175.10 174.68 2day s PRO 76 N -1.41 4.28 -0.10 4.82 0.04 -1.26 -4.74 135.00 136.63 2day s PRO 76 Ca 0.34 2.02 -0.29 0.00 0.04 0.00 0.00 61.00 63.12 2day s PRO 76 Cb -0.19 -3.54 -0.07 0.00 0.04 0.00 0.00 34.50 30.74 2day s PRO 76 CO 0.21 -0.58 2.10 -1.14 0.04 0.00 0.00 177.00 177.63 2day s GLN 77 N 2.28 3.59 -0.03 4.56 0.74 -0.61 -4.66 119.66 125.54 2day s GLN 77 Ca 0.65 2.29 -0.26 0.00 0.05 0.00 0.00 55.36 58.09 2day s GLN 77 Cb -0.33 -4.28 -0.04 0.00 1.10 0.00 0.00 33.01 29.47 2day s GLN 77 CO 0.28 -1.58 0.81 0.42 -0.55 0.00 0.00 175.29 174.66 2day s ILE 78 N 6.56 4.94 0.04 -2.34 1.09 -1.26 -2.16 121.20 128.07 2day s ILE 78 Ca 0.95 1.69 -0.08 0.00 -1.10 0.00 0.00 60.65 62.10 2day s ILE 78 Cb -0.37 -4.15 -0.00 0.00 -1.06 0.00 0.00 42.46 36.88 2day s ILE 78 CO 0.38 0.23 0.17 -0.44 -0.10 0.00 0.00 174.94 175.18 2day s SER 79 N 0.76 0.07 -0.04 3.58 0.01 -0.37 -5.01 113.70 112.70 2day s SER 79 Ca 0.43 -0.40 0.06 0.00 1.31 0.00 0.00 55.95 57.35 2day s SER 79 Cb -0.19 0.27 -0.01 0.00 0.21 0.00 0.00 66.02 66.29 2day s SER 79 CO 0.22 -0.53 -0.23 -0.63 0.41 0.00 0.00 173.24 172.48 2day s ILE 80 N -2.50 1.85 0.26 1.44 1.01 -1.26 -0.61 121.20 121.38 2day s ILE 80 Ca -0.06 -0.96 0.09 0.00 0.00 0.00 0.00 60.65 59.72 2day s ILE 80 Cb -0.01 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 2day s ILE 80 CO -0.04 0.52 -0.01 -0.13 0.00 0.00 0.00 174.94 175.28 2day s ARG 81 N -0.22 2.28 -1.21 2.79 0.52 -0.25 -4.69 118.95 118.17 2day s ARG 81 Ca -0.00 -1.40 -0.07 0.00 -0.52 0.00 0.00 55.73 53.74 2day s ARG 81 Cb -0.12 -2.17 0.01 0.00 0.52 0.00 0.00 34.95 33.20 2day s ARG 81 CO 0.02 0.37 0.13 -1.71 0.02 0.00 0.00 175.30 174.13 2day n ASN 82 N -0.83 -0.21 -4.57 0.23 2.85 -1.26 -2.45 115.26 109.02 2day n ASN 82 Ca -0.07 -1.06 -0.28 0.00 -0.11 0.00 0.00 54.58 53.07 2day n ASN 82 Cb 0.59 -1.30 -0.06 0.00 1.24 0.00 0.00 39.78 40.25 2day n ASN 82 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2day s PRO 83 N -6.71 2.51 0.25 1.20 0.04 -1.26 -4.48 135.00 126.55 2day s PRO 83 Ca 0.10 -0.91 0.08 0.00 0.04 0.00 0.00 61.00 60.30 2day s PRO 83 Cb -0.06 -5.19 -0.04 0.00 0.04 0.00 0.00 34.50 29.26 2day s PRO 83 CO 0.82 -3.81 0.14 0.50 0.04 0.00 0.00 177.00 174.69 2day s ARG 84 N 6.62 2.77 0.00 4.56 3.52 -1.15 -4.56 118.95 130.71 2day s ARG 84 Ca 0.69 -1.13 0.00 0.00 -0.13 0.00 0.00 55.73 55.16 2day s ARG 84 Cb -0.02 -2.47 0.00 0.00 -1.56 0.00 0.00 34.95 30.89 2day s ARG 84 CO 0.09 0.40 0.00 0.41 -0.81 0.00 0.00 175.30 175.39 2day n GLY 85 N -1.05 1.54 3.97 8.12 0.00 -1.26 -2.78 105.19 113.73 2day n GLY 85 Ca -0.08 -0.05 -0.26 0.00 0.00 0.00 0.00 46.02 45.64 2day n GLY 85 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2day s LEU 86 N 0.00 2.89 0.28 0.99 1.43 -1.26 -4.88 118.68 118.13 2day s LEU 86 Ca 0.00 -0.16 0.11 0.00 -1.03 0.00 0.00 54.13 53.05 2day s LEU 86 Cb 0.00 -2.08 -0.05 0.00 0.03 0.00 0.00 46.19 44.09 2day s LEU 86 CO 0.00 -2.14 -0.15 -0.55 0.23 0.00 0.00 176.35 173.73 2day s SER 87 N -4.79 3.82 0.28 2.29 0.15 -1.26 -4.96 113.70 109.22 2day s SER 87 Ca 0.69 -0.94 0.00 0.00 0.70 0.00 0.00 55.95 56.40 2day s SER 87 Cb -0.05 -0.43 0.64 0.00 -1.71 0.00 0.00 66.02 64.47 2day s SER 87 CO 0.47 0.03 1.65 -0.78 1.20 0.00 0.00 173.24 175.81 2day h ASP 88 N 2.19 -0.03 0.56 5.45 1.82 -1.99 0.61 116.42 125.02 2day h ASP 88 Ca -0.41 0.19 -0.03 0.00 -0.39 0.00 0.00 57.03 56.39 2day h ASP 88 Cb 1.26 0.26 0.01 0.00 0.68 0.00 0.00 39.33 41.54 2day h ASP 88 CO 0.60 -0.14 -0.27 -0.33 -1.61 0.00 0.00 179.24 177.49 2day h GLU 89 N 0.21 -0.72 0.21 0.28 5.08 -1.99 -1.58 114.58 116.07 2day h GLU 89 Ca 0.52 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.93 2day h GLU 89 Cb 1.01 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 2day h GLU 89 CO -0.63 -0.45 -0.44 1.96 -1.00 0.00 0.00 179.01 178.45 2day h GLN 90 N -0.84 -0.68 -0.70 2.33 4.20 -1.61 -0.97 115.11 116.84 2day h GLN 90 Ca -0.08 0.05 0.14 0.00 0.06 0.00 0.00 58.65 58.82 2day h GLN 90 Cb 0.61 0.15 -0.13 0.00 0.30 0.00 0.00 27.48 28.41 2day h GLN 90 CO 0.13 -0.45 -0.17 0.82 -0.67 0.00 0.00 178.83 178.48 2day h ILE 91 N -0.70 0.30 -0.82 2.54 2.04 -0.98 0.24 117.51 120.13 2day h ILE 91 Ca -0.02 -0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.94 2day h ILE 91 Cb 0.67 0.30 -0.07 0.00 -0.74 0.00 0.00 36.82 36.97 2day h ILE 91 CO -0.18 0.00 0.46 -0.74 0.00 0.00 0.00 178.15 177.69 2day h HIS 92 N 0.00 0.84 -0.01 1.37 2.76 -0.82 -2.20 115.15 117.09 2day h HIS 92 Ca 0.34 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.54 2day h HIS 92 Cb 0.52 -0.25 -0.00 0.00 1.55 0.00 0.00 27.41 29.22 2day h HIS 92 CO -0.56 0.33 0.01 1.15 -1.30 0.00 0.00 177.93 177.55 2day h THR 93 N 0.77 1.03 -0.70 6.26 2.02 0.80 -1.67 112.91 121.42 2day h THR 93 Ca 0.40 -0.10 0.18 0.00 0.77 0.00 0.00 66.41 67.67 2day h THR 93 Cb 0.39 1.08 -0.04 0.00 -1.74 0.00 0.00 68.15 67.84 2day h THR 93 CO -0.26 0.03 0.49 0.40 0.37 0.00 0.00 175.52 176.55 2day h ILE 94 N -0.02 0.70 0.04 3.11 2.04 -0.67 0.75 117.51 123.46 2day h ILE 94 Ca 0.00 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 2day h ILE 94 Cb 0.04 0.55 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 2day h ILE 94 CO -0.00 0.02 -0.02 -0.07 0.00 0.00 0.00 178.15 178.08 2day h LEU 95 N 0.13 -0.04 -1.12 1.44 3.38 -0.96 -2.57 115.31 115.58 2day h LEU 95 Ca 0.34 0.00 0.30 0.00 0.09 0.00 0.00 57.88 58.61 2day h LEU 95 Cb 1.15 0.01 -0.13 0.00 0.09 0.00 0.00 40.66 41.79 2day h LEU 95 CO -0.05 0.03 0.63 0.06 0.09 0.00 0.00 178.44 179.20 2day h GLN 96 N -0.17 0.39 0.00 1.13 -0.00 -1.17 -1.28 115.11 114.01 2day h GLN 96 Ca -0.01 -0.02 0.00 0.00 -0.00 0.00 0.00 58.65 58.62 2day h GLN 96 Cb 0.04 -0.09 0.00 0.00 -0.00 0.00 0.00 27.48 27.43 2day h GLN 96 CO 0.01 0.26 0.00 0.28 -0.00 0.00 0.00 178.83 179.38 2day n VAL 97 N -4.87 0.00 -0.36 1.86 0.31 0.24 -3.19 118.33 112.32 2day n VAL 97 Ca 0.29 1.14 0.33 0.00 -0.01 0.00 0.00 64.34 66.10 2day n VAL 97 Cb 0.93 -2.07 0.59 0.00 -0.91 0.00 0.00 33.84 32.37 2day n VAL 97 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2day n LEU 98 N -1.49 0.28 -0.18 7.52 4.77 -0.97 0.26 117.00 127.19 2day n LEU 98 Ca 0.00 1.47 -0.02 0.00 -0.03 0.00 0.00 56.01 57.42 2day n LEU 98 Cb 0.00 -0.72 0.04 0.00 -2.33 0.00 0.00 43.42 40.41 2day n LEU 98 CO 0.00 -1.63 0.73 1.23 -1.33 0.00 0.00 177.39 176.39 2day h GLY 99 N 0.00 0.32 0.99 -0.72 0.00 -1.20 -0.64 103.07 101.82 2day h GLY 99 Ca 0.81 0.22 -0.03 0.00 0.00 0.00 0.00 47.33 48.34 2day h GLY 99 CO -0.62 -0.22 0.24 1.12 0.00 0.00 0.00 176.54 177.07 2day h HIS 100 N -0.04 0.89 -0.99 5.60 2.07 -0.22 -2.71 115.15 119.76 2day h HIS 100 Ca 0.26 -0.06 0.15 0.00 -2.85 0.00 0.00 60.37 57.87 2day h HIS 100 Cb 0.44 -0.27 -0.10 0.00 2.57 0.00 0.00 27.41 30.06 2day h HIS 100 CO -0.49 0.71 0.60 0.28 -3.07 0.00 0.00 177.93 175.97 2day h VAL 101 N 0.82 0.81 0.57 6.12 2.07 -1.04 0.01 116.25 125.60 2day h VAL 101 Ca 0.20 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 2day h VAL 101 Cb 0.19 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 29.83 2day h VAL 101 CO -0.02 0.16 -0.35 0.00 0.02 0.00 0.00 177.57 177.38 2day h ALA 102 N 1.59 -1.17 -0.95 1.67 0.00 -0.97 -2.71 119.26 116.72 2day h ALA 102 Ca 0.53 -0.18 0.12 0.00 0.00 0.00 0.00 54.91 55.39 2day h ALA 102 Cb 0.69 0.46 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 2day h ALA 102 CO -0.33 -1.14 0.61 0.87 0.00 0.00 0.00 179.25 179.26 2day h LYS 103 N -0.86 0.86 0.00 0.00 1.57 -1.45 0.23 116.57 116.92 2day h LYS 103 Ca -0.08 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 2day h LYS 103 Cb 0.69 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2day h LYS 103 CO 0.08 0.57 0.08 0.00 -0.57 0.00 0.00 179.45 179.61 2day h ALA 104 N 1.56 1.07 -0.50 3.86 0.00 -0.76 -1.73 119.26 122.76 2day h ALA 104 Ca 0.47 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 55.02 2day h ALA 104 Cb 0.55 0.00 -0.36 0.00 0.00 0.00 0.00 17.79 17.98 2day h ALA 104 CO -0.23 -0.07 -0.87 0.41 0.00 0.00 0.00 179.25 178.48 2day n GLY 105 N -1.19 4.57 3.86 0.00 0.00 0.77 -5.08 105.19 108.13 2day n GLY 105 Ca -0.02 -1.90 -0.31 0.00 0.00 0.00 0.00 46.02 43.78 2day n GLY 105 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2day s LEU 106 N -3.33 3.50 0.00 0.99 1.43 -0.65 -3.89 118.68 116.72 2day s LEU 106 Ca 0.41 1.46 0.00 0.00 -1.03 0.00 0.00 54.13 54.97 2day s LEU 106 Cb 0.38 -4.43 0.00 0.00 0.03 0.00 0.00 46.19 42.17 2day s LEU 106 CO -0.01 -0.68 0.00 0.61 0.23 0.00 0.00 176.35 176.50 2day n GLY 107 N -2.01 2.87 3.30 -3.19 0.00 -1.26 -4.96 105.19 99.93 2day n GLY 107 Ca 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 2day n GLY 107 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2day s THR 108 N -1.78 0.04 0.08 2.61 -4.23 -1.25 -4.91 115.64 106.20 2day s THR 108 Ca 0.00 -2.00 -0.37 0.00 -1.18 0.00 0.00 61.69 58.14 2day s THR 108 Cb 0.00 -2.49 -0.18 0.00 1.34 0.00 0.00 72.50 71.18 2day s THR 108 CO 0.00 0.00 1.17 0.00 -0.54 0.00 0.00 174.62 175.25 2day n ALA 109 N -0.63 -1.96 0.00 3.99 0.00 -1.26 -4.84 120.51 115.81 2day n ALA 109 Ca 0.06 0.53 0.00 0.00 0.00 0.00 0.00 53.44 54.03 2day n ALA 109 Cb 0.63 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 18.14 2day n ALA 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2day n MET 110 N 1.94 0.38 -0.26 0.00 3.85 -1.26 -4.86 117.12 116.90 2day n MET 110 Ca 0.18 0.00 0.03 0.00 -1.00 0.00 0.00 57.70 56.91 2day n MET 110 Cb 0.17 -0.64 0.08 0.00 -1.05 0.00 0.00 33.22 31.77 2day n MET 110 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2day n LEU 111 N -1.51 -0.32 0.15 3.17 4.77 -1.26 0.12 117.00 122.12 2day n LEU 111 Ca 0.00 1.25 -0.16 0.00 -0.03 0.00 0.00 56.01 57.07 2day n LEU 111 Cb 0.14 -0.35 -0.09 0.00 -2.33 0.00 0.00 43.42 40.79 2day n LEU 111 CO 0.00 -1.17 0.52 0.22 -1.33 0.00 0.00 177.39 175.62 2day h TYR 112 N 0.00 -1.41 -0.05 -1.77 3.20 -1.99 -2.06 116.97 112.90 2day h TYR 112 Ca 0.32 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.23 2day h TYR 112 Cb 0.50 0.59 -0.03 0.00 1.54 0.00 0.00 36.73 39.32 2day h TYR 112 CO -0.58 -0.58 -0.28 0.93 -1.64 0.00 0.00 178.16 176.02 2day h GLU 113 N -0.77 -0.30 -0.82 1.82 5.08 -0.65 -1.18 114.58 117.76 2day h GLU 113 Ca -0.02 0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.51 2day h GLU 113 Cb 0.74 0.07 -0.15 0.00 0.50 0.00 0.00 28.75 29.91 2day h GLU 113 CO -0.22 -0.20 -0.25 1.28 -1.00 0.00 0.00 179.01 178.62 2day n LEU 114 N -4.03 -0.39 -0.01 1.33 4.77 -0.61 0.93 117.00 118.99 2day n LEU 114 Ca -0.03 1.41 -0.10 0.00 -0.03 0.00 0.00 56.01 57.26 2day n LEU 114 Cb 0.20 -0.39 -0.04 0.00 -2.33 0.00 0.00 43.42 40.86 2day n LEU 114 CO 0.05 -1.32 0.87 0.40 -1.33 0.00 0.00 177.39 176.06 2day h ILE 115 N 0.00 0.92 -0.49 -0.08 2.04 -0.63 -2.02 117.51 117.25 2day h ILE 115 Ca 0.35 -0.02 0.09 0.00 1.00 0.00 0.00 64.86 66.28 2day h ILE 115 Cb 0.55 0.86 -0.08 0.00 -0.74 0.00 0.00 36.82 37.41 2day h ILE 115 CO -0.83 0.01 0.01 -0.33 0.00 0.00 0.00 178.15 177.02 2day h GLU 116 N 0.06 0.13 -0.09 2.37 4.39 0.17 -2.03 114.58 119.58 2day h GLU 116 Ca 0.06 -0.01 0.03 0.00 0.34 0.00 0.00 59.36 59.78 2day h GLU 116 Cb 0.06 -0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 2day h GLU 116 CO -0.09 0.08 -0.08 -0.22 -1.16 0.00 0.00 179.01 177.54 2day h LYS 117 N 0.13 -0.09 -0.98 2.33 1.63 -0.82 -2.48 116.57 116.29 2day h LYS 117 Ca 0.25 0.01 0.30 0.00 -0.85 0.00 0.00 60.65 60.35 2day h LYS 117 Cb 0.37 0.02 -0.18 0.00 -0.60 0.00 0.00 32.23 31.84 2day h LYS 117 CO -0.40 -0.06 0.12 0.41 -3.45 0.00 0.00 179.45 176.07 2day n GLY 118 N -1.21 -1.21 0.09 5.01 0.00 -0.77 0.13 105.19 107.22 2day n GLY 118 Ca -0.04 0.93 -0.13 0.00 0.00 0.00 0.00 46.02 46.78 2day n GLY 118 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2day h LYS 119 N 0.00 0.15 0.25 1.61 6.56 -1.38 -2.97 116.57 120.80 2day h LYS 119 Ca 0.64 -0.06 0.00 0.00 -1.06 0.00 0.00 60.65 60.17 2day h LYS 119 Cb 1.41 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 33.04 2day h LYS 119 CO -0.89 0.50 -0.28 0.93 -2.06 0.00 0.00 179.45 177.66 2day h GLU 120 N -0.21 -0.56 -0.79 3.15 4.39 -0.04 -0.51 114.58 120.02 2day h GLU 120 Ca 0.02 0.04 0.18 0.00 0.34 0.00 0.00 59.36 59.94 2day h GLU 120 Cb 0.46 0.13 -0.14 0.00 -0.10 0.00 0.00 28.75 29.09 2day h GLU 120 CO 0.01 -0.37 0.01 0.82 -1.16 0.00 0.00 179.01 178.32 2day h ILE 121 N -0.58 0.30 0.12 3.13 2.04 -0.66 -0.79 117.51 121.07 2day h ILE 121 Ca -0.00 -0.03 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 2day h ILE 121 Cb 0.54 0.20 0.00 0.00 -0.74 0.00 0.00 36.82 36.82 2day h ILE 121 CO -0.08 0.02 -0.06 -0.07 0.00 0.00 0.00 178.15 177.96 2day h LEU 122 N 0.10 -0.14 -7.83 1.44 3.38 -1.29 -3.45 115.31 107.52 2day h LEU 122 Ca 0.44 -0.17 -0.18 0.00 0.09 0.00 0.00 57.88 58.05 2day h LEU 122 Cb 0.78 0.04 -0.23 0.00 0.09 0.00 0.00 40.66 41.33 2day h LEU 122 CO -0.70 0.10 -0.65 -0.55 0.09 0.00 0.00 178.44 176.73 2day s SER 123 N -5.24 0.10 0.00 -0.43 0.15 -0.23 -4.70 113.70 103.34 2day s SER 123 Ca -0.14 -0.24 0.00 0.00 0.70 0.00 0.00 55.95 56.27 2day s SER 123 Cb 0.04 0.11 0.00 0.00 -1.71 0.00 0.00 66.02 64.46 2day s SER 123 CO 0.64 -0.21 0.00 0.61 1.20 0.00 0.00 173.24 175.48 2day n GLY 124 N 2.10 3.96 3.64 9.45 0.00 -1.24 -3.76 105.19 119.34 2day n GLY 124 Ca -0.20 -1.51 -0.43 0.00 0.00 0.00 0.00 46.02 43.88 2day n GLY 124 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2day s PRO 125 N -4.05 3.87 -0.23 1.61 0.04 -1.26 -4.94 135.00 130.04 2day s PRO 125 Ca 0.00 1.73 -0.27 0.00 0.04 0.00 0.00 61.00 62.50 2day s PRO 125 Cb 0.00 -4.01 0.11 0.00 0.04 0.00 0.00 34.50 30.64 2day s PRO 125 CO 0.00 -1.20 0.92 0.45 0.04 0.00 0.00 177.00 177.21 2day s SER 126 N 3.96 -0.52 0.24 6.66 0.15 -1.26 -5.14 113.70 117.78 2day s SER 126 Ca 0.70 0.88 0.01 0.00 0.70 0.00 0.00 55.95 58.25 2day s SER 126 Cb -0.26 0.85 -0.04 0.00 -1.71 0.00 0.00 66.02 64.87 2day s SER 126 CO 0.28 -0.26 0.16 -0.55 1.20 0.00 0.00 173.24 174.07 2day s SER 127 N -0.17 0.63 0.00 5.45 0.15 -1.26 -5.18 113.70 113.32 2day s SER 127 Ca -0.00 -1.48 0.20 0.00 0.70 0.00 0.00 55.95 55.37 2day s SER 127 Cb -0.03 0.40 0.15 0.00 -1.71 0.00 0.00 66.02 64.83 2day s SER 127 CO -0.01 -0.88 1.12 0.61 1.20 0.00 0.00 173.24 175.27