#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2day s SER 2 N 0.00 -0.74 -0.49 1.61 1.04 -1.26 -5.10 113.70 108.76 2day s SER 2 Ca 0.00 1.31 -0.27 0.00 0.48 0.00 0.00 55.95 57.47 2day s SER 2 Cb 0.00 1.26 -0.08 0.00 0.10 0.00 0.00 66.02 67.30 2day s SER 2 CO 0.00 -0.22 2.41 -0.24 0.98 0.00 0.00 173.24 176.16 2day n SER 3 N 3.48 2.28 0.00 7.02 2.88 -1.26 -4.68 113.62 123.34 2day n SER 3 Ca -0.17 -0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.03 2day n SER 3 Cb 0.57 -1.52 0.00 0.00 -0.75 0.00 0.00 64.21 62.51 2day n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2day n GLY 4 N 6.04 4.18 0.33 0.46 0.00 -1.26 -4.92 105.19 110.01 2day n GLY 4 Ca 0.39 -1.45 0.13 0.00 0.00 0.00 0.00 46.02 45.08 2day n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2day n SER 5 N 0.00 1.26 -4.80 1.61 3.41 -1.26 -4.88 113.62 108.96 2day n SER 5 Ca 0.00 -1.08 -0.34 0.00 -0.26 0.00 0.00 58.87 57.19 2day n SER 5 Cb 0.00 0.15 -0.07 0.00 -0.26 0.00 0.00 64.21 64.03 2day n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2day s SER 6 N -2.41 5.83 0.00 4.04 1.04 -1.26 -5.09 113.70 115.85 2day s SER 6 Ca 0.26 0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.92 2day s SER 6 Cb 0.19 -1.73 0.00 0.00 0.10 0.00 0.00 66.02 64.58 2day s SER 6 CO 0.49 0.31 0.00 0.61 0.98 0.00 0.00 173.24 175.63 2day n GLY 7 N 1.42 0.74 3.70 7.32 0.00 -1.26 -5.04 105.19 112.08 2day n GLY 7 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.58 2day n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2day s GLU 8 N 1.39 1.12 -0.22 1.61 8.01 -1.26 -5.05 118.70 124.30 2day s GLU 8 Ca 0.00 0.86 -0.01 0.00 0.01 0.00 0.00 54.97 55.82 2day s GLU 8 Cb 0.00 -1.79 0.06 0.00 -4.31 0.00 0.00 34.13 28.09 2day s GLU 8 CO 0.00 -2.34 0.01 -1.83 0.01 0.00 0.00 175.26 171.10 2day s GLU 9 N -4.89 1.02 -0.21 1.61 -1.05 -1.26 -5.01 118.70 108.90 2day s GLU 9 Ca 0.64 -0.69 -0.04 0.00 -0.15 0.00 0.00 54.97 54.73 2day s GLU 9 Cb -0.19 -2.29 -0.06 0.00 -0.44 0.00 0.00 34.13 31.16 2day s GLU 9 CO 0.57 -0.65 2.95 -0.40 0.95 0.00 0.00 175.26 178.68 2day n ASP 10 N 4.89 5.88 -3.68 0.83 5.75 -1.26 -4.77 116.55 124.18 2day n ASP 10 Ca -0.09 -2.83 -0.13 0.00 -0.01 0.00 0.00 54.79 51.73 2day n ASP 10 Cb 0.46 -1.28 -0.13 0.00 -1.03 0.00 0.00 41.12 39.14 2day n ASP 10 CO 0.00 0.00 0.00 0.86 -0.11 0.00 0.00 177.20 177.95 2day s TRP 11 N -0.49 -0.41 0.03 2.11 -0.11 -1.26 -5.04 118.94 113.77 2day s TRP 11 Ca 0.53 0.94 -0.19 0.00 1.22 0.00 0.00 56.10 58.60 2day s TRP 11 Cb 0.31 -0.01 -0.18 0.00 -1.50 0.00 0.00 33.47 32.09 2day s TRP 11 CO -0.09 -0.32 1.23 0.28 -4.62 0.00 0.00 176.95 173.43 2day h VAL 12 N 6.17 1.39 -0.70 5.86 2.07 -1.86 -3.04 116.25 126.13 2day h VAL 12 Ca -0.21 -1.72 0.06 0.00 0.82 0.00 0.00 66.70 65.65 2day h VAL 12 Cb 1.13 2.19 -0.09 0.00 -1.52 0.00 0.00 31.29 33.00 2day h VAL 12 CO 0.20 0.51 -0.41 -0.11 0.02 0.00 0.00 177.57 177.78 2day n LEU 13 N -4.34 -0.74 0.09 2.57 7.94 -1.26 0.11 117.00 121.37 2day n LEU 13 Ca -0.08 1.25 -0.03 0.00 -1.11 0.00 0.00 56.01 56.05 2day n LEU 13 Cb 0.53 -0.17 0.19 0.00 0.53 0.00 0.00 43.42 44.51 2day n LEU 13 CO 0.44 -1.02 0.60 1.55 -1.11 0.00 0.00 177.39 177.84 2day h PRO 14 N 0.00 0.24 0.00 1.96 0.13 -1.99 -2.25 132.00 130.10 2day h PRO 14 Ca 0.12 -0.13 -0.03 0.00 -0.87 0.00 0.00 66.00 65.08 2day h PRO 14 Cb 0.29 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.42 2day h PRO 14 CO -0.66 0.66 -0.16 1.03 -0.23 0.00 0.00 178.00 178.63 2day h SER 15 N 0.20 0.00 0.04 1.44 0.87 0.96 -2.44 113.55 114.62 2day h SER 15 Ca 0.01 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.39 2day h SER 15 Cb 0.89 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.84 2day h SER 15 CO 0.07 0.16 -0.95 -0.33 -0.53 0.00 0.00 176.83 175.25 2day h GLU 16 N 0.00 0.09 -0.23 2.24 4.39 -0.34 -3.33 114.58 117.39 2day h GLU 16 Ca -0.00 -0.16 0.07 0.00 0.34 0.00 0.00 59.36 59.61 2day h GLU 16 Cb 0.29 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 2day h GLU 16 CO 0.02 1.07 0.37 0.28 -1.16 0.00 0.00 179.01 179.59 2day h VAL 17 N -0.75 0.25 -0.23 3.13 2.07 -1.31 0.21 116.25 119.63 2day h VAL 17 Ca -0.23 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.13 2day h VAL 17 Cb 1.39 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 2day h VAL 17 CO -0.05 0.00 -0.51 -0.33 0.02 0.00 0.00 177.57 176.70 2day h GLU 18 N 0.00 0.64 0.00 1.57 4.39 -1.55 -1.14 114.58 118.50 2day h GLU 18 Ca 0.11 -0.39 -0.09 0.00 0.34 0.00 0.00 59.36 59.33 2day h GLU 18 Cb 0.84 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.51 2day h GLU 18 CO -0.00 1.00 -1.04 -0.24 -1.16 0.00 0.00 179.01 177.57 2day h VAL 19 N 0.50 0.34 0.08 3.13 3.04 -0.83 -3.36 116.25 119.15 2day h VAL 19 Ca 0.02 -1.61 -0.00 0.00 -1.01 0.00 0.00 66.70 64.10 2day h VAL 19 Cb 1.06 1.90 0.00 0.00 -2.01 0.00 0.00 31.29 32.25 2day h VAL 19 CO 0.10 0.19 -0.04 -0.07 -1.01 0.00 0.00 177.57 176.75 2day h LEU 20 N 0.00 -0.09 -0.96 3.16 3.38 -0.94 -3.33 115.31 116.54 2day h LEU 20 Ca -0.07 -0.39 0.28 0.00 0.09 0.00 0.00 57.88 57.79 2day h LEU 20 Cb 1.31 0.02 -0.17 0.00 0.09 0.00 0.00 40.66 41.91 2day h LEU 20 CO 0.03 0.57 0.14 -0.33 0.09 0.00 0.00 178.44 178.94 2day h GLU 21 N -0.97 0.05 -1.01 1.13 5.08 -1.38 0.90 114.58 118.38 2day h GLU 21 Ca -0.01 -0.00 0.25 0.00 -1.00 0.00 0.00 59.36 58.60 2day h GLU 21 Cb 0.47 -0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.59 2day h GLU 21 CO 0.02 0.03 0.60 0.77 -1.00 0.00 0.00 179.01 179.43 2day h SER 22 N 0.05 0.65 0.00 1.42 0.02 -1.71 1.84 113.55 115.82 2day h SER 22 Ca 0.62 0.14 -0.05 0.00 -0.84 0.00 0.00 61.79 61.65 2day h SER 22 Cb 1.34 0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.90 2day h SER 22 CO -0.84 0.09 -0.43 0.40 -1.14 0.00 0.00 176.83 174.91 2day h ILE 23 N 0.55 0.54 -0.64 3.27 2.04 0.60 -3.37 117.51 120.50 2day h ILE 23 Ca 0.65 -1.51 -0.43 0.00 1.00 0.00 0.00 64.86 64.57 2day h ILE 23 Cb 1.28 1.12 -0.19 0.00 -0.74 0.00 0.00 36.82 38.29 2day h ILE 23 CO -0.47 0.18 0.56 -1.22 0.00 0.00 0.00 178.15 177.20 2day n TYR 24 N -4.62 2.08 -0.17 1.37 4.01 -0.09 -4.75 117.16 114.99 2day n TYR 24 Ca -0.11 -2.25 -0.04 0.00 -0.16 0.00 0.00 57.90 55.33 2day n TYR 24 Cb 0.32 -1.09 -0.04 0.00 -0.31 0.00 0.00 39.34 38.22 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 -0.09 -0.42 -0.12 7.72 4.77 0.62 -1.08 117.00 128.40 2day n LEU 25 Ca 0.40 1.02 -0.24 0.00 -0.03 0.00 0.00 56.01 57.16 2day n LEU 25 Cb 0.64 -0.25 -0.11 0.00 -2.33 0.00 0.00 43.42 41.38 2day n LEU 25 CO 0.51 -0.73 -1.25 -0.90 -1.33 0.00 0.00 177.39 173.69 2day n ASP 26 N -3.93 1.97 -0.45 -1.43 5.75 -1.26 -4.36 116.55 112.83 2day n ASP 26 Ca 0.01 0.17 0.38 0.00 -0.01 0.00 0.00 54.79 55.35 2day n ASP 26 Cb 0.10 -0.70 0.64 0.00 -1.03 0.00 0.00 41.12 40.13 2day n ASP 26 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2day n GLU 27 N -3.86 -0.03 -4.52 0.11 -0.58 -1.19 -4.19 120.64 106.38 2day n GLU 27 Ca -0.47 1.18 -0.21 0.00 -0.42 0.00 0.00 57.16 57.25 2day n GLU 27 Cb 0.91 -2.34 -0.15 0.00 -0.57 0.00 0.00 31.44 29.30 2day n GLU 27 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2day s LEU 28 N -9.17 2.02 -0.01 -4.62 0.20 -0.24 -4.18 118.68 102.68 2day s LEU 28 Ca -0.07 -0.21 0.07 0.00 0.69 0.00 0.00 54.13 54.60 2day s LEU 28 Cb 0.29 -0.61 -0.03 0.00 -0.43 0.00 0.00 46.19 45.42 2day s LEU 28 CO 0.78 0.14 -0.21 -1.58 -0.29 0.00 0.00 176.35 175.19 2day s GLN 29 N -0.26 2.17 0.12 1.98 2.00 -0.75 -4.57 119.66 120.34 2day s GLN 29 Ca 0.04 -0.90 0.07 0.00 -2.00 0.00 0.00 55.36 52.57 2day s GLN 29 Cb -0.05 -2.16 -0.04 0.00 0.80 0.00 0.00 33.01 31.57 2day s GLN 29 CO -0.00 0.57 -0.16 0.08 -0.50 0.00 0.00 175.29 175.27 2day s VAL 30 N -0.74 1.48 -0.43 1.34 1.01 -1.26 -0.14 120.40 121.65 2day s VAL 30 Ca 0.12 -1.65 0.04 0.00 0.00 0.00 0.00 61.98 60.49 2day s VAL 30 Cb -0.10 -1.52 0.12 0.00 0.00 0.00 0.00 36.38 34.87 2day s VAL 30 CO 0.01 -0.28 0.17 -0.63 0.00 0.00 0.00 175.10 174.37 2day s ILE 31 N -1.75 2.25 -0.10 2.22 -1.09 0.27 -4.95 121.20 118.05 2day s ILE 31 Ca 0.08 -2.78 -0.28 0.00 -2.23 0.00 0.00 60.65 55.44 2day s ILE 31 Cb -0.07 -2.61 -0.02 0.00 -1.58 0.00 0.00 42.46 38.18 2day s ILE 31 CO 0.04 -0.73 0.94 -1.59 -1.23 0.00 0.00 174.94 172.37 2day s LYS 32 N 0.32 4.42 0.71 2.79 -2.85 -1.26 -2.88 119.74 120.97 2day s LYS 32 Ca 0.14 1.27 -0.06 0.00 -1.00 0.00 0.00 55.97 56.33 2day s LYS 32 Cb -0.23 -3.53 0.07 0.00 -2.06 0.00 0.00 37.83 32.08 2day s LYS 32 CO -0.04 -0.25 1.01 0.20 0.10 0.00 0.00 175.35 176.36 2day s GLY 33 N 1.07 1.71 -0.61 0.59 0.00 -1.26 -5.03 107.32 103.79 2day s GLY 33 Ca 0.46 -1.04 -0.17 0.00 0.00 0.00 0.00 44.72 43.97 2day s GLY 33 CO 0.18 -0.61 0.63 -1.31 0.00 0.00 0.00 173.10 171.99 2day s ASN 34 N -4.55 6.27 0.94 1.64 0.01 -1.26 -4.92 114.94 113.08 2day s ASN 34 Ca 0.61 -1.78 0.00 0.00 -0.71 0.00 0.00 52.86 50.98 2day s ASN 34 Cb -0.10 -2.25 0.00 0.00 0.41 0.00 0.00 41.25 39.31 2day s ASN 34 CO 0.45 -0.93 0.00 0.61 -1.51 0.00 0.00 177.10 175.72 2day n GLY 35 N 5.11 1.95 2.55 0.66 0.00 -1.26 -3.72 105.19 110.48 2day n GLY 35 Ca -0.08 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.40 2day n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2day n ARG 36 N 6.84 2.29 0.06 1.61 1.74 -1.26 -4.84 116.66 123.10 2day n ARG 36 Ca 0.00 -3.74 -0.23 0.00 -0.77 0.00 0.00 57.85 53.11 2day n ARG 36 Cb 0.00 -1.78 -0.15 0.00 -1.02 0.00 0.00 32.46 29.51 2day n ARG 36 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 2day h THR 37 N 3.84 0.92 -3.24 0.55 1.35 -1.95 -3.48 112.91 110.91 2day h THR 37 Ca 0.05 -2.48 -0.07 0.00 -0.55 0.00 0.00 66.41 63.37 2day h THR 37 Cb 1.28 2.74 -0.15 0.00 -1.73 0.00 0.00 68.15 70.28 2day h THR 37 CO 0.47 0.84 -0.11 -0.44 -0.25 0.00 0.00 175.52 176.03 2day s SER 38 N -7.24 -0.24 1.02 5.36 0.01 -1.26 -5.09 113.70 106.26 2day s SER 38 Ca -0.17 -0.18 -0.13 0.00 1.31 0.00 0.00 55.95 56.78 2day s SER 38 Cb 0.05 0.44 0.20 0.00 0.21 0.00 0.00 66.02 66.92 2day s SER 38 CO 0.83 -0.75 1.09 -2.16 0.41 0.00 0.00 173.24 172.67 2day s PRO 39 N -3.13 0.26 0.22 12.44 0.04 -1.26 -4.56 135.00 139.01 2day s PRO 39 Ca -0.01 0.46 -0.10 0.00 0.04 0.00 0.00 61.00 61.40 2day s PRO 39 Cb 0.01 -1.72 -0.07 0.00 0.04 0.00 0.00 34.50 32.75 2day s PRO 39 CO -0.07 -2.83 0.54 -1.58 0.04 0.00 0.00 177.00 173.10 2day s TRP 40 N -2.97 3.44 -0.06 0.56 0.52 -1.11 -4.66 118.94 114.66 2day s TRP 40 Ca 0.66 0.87 0.03 0.00 0.02 0.00 0.00 56.10 57.67 2day s TRP 40 Cb -0.18 -2.25 0.01 0.00 -1.15 0.00 0.00 33.47 29.89 2day s TRP 40 CO 0.58 0.29 -0.14 -2.00 0.02 0.00 0.00 176.95 175.69 2day s GLU 41 N -2.75 1.84 -0.04 4.98 2.56 -1.14 -2.66 118.70 121.49 2day s GLU 41 Ca 0.46 -0.49 0.05 0.00 0.00 0.00 0.00 54.97 54.99 2day s GLU 41 Cb -0.11 -1.51 -0.01 0.00 2.00 0.00 0.00 34.13 34.50 2day s GLU 41 CO 0.21 0.08 -0.18 0.42 -0.56 0.00 0.00 175.26 175.23 2day s ILE 42 N 0.53 1.48 0.24 -3.70 1.01 -0.68 0.94 121.20 121.01 2day s ILE 42 Ca -0.13 -0.75 0.10 0.00 0.00 0.00 0.00 60.65 59.86 2day s ILE 42 Cb -0.15 -1.26 -0.05 0.00 0.01 0.00 0.00 42.46 41.01 2day s ILE 42 CO 0.04 0.42 -0.17 -0.31 0.00 0.00 0.00 174.94 174.92 2day s TYR 43 N -0.03 1.97 -0.16 3.97 2.02 0.80 -0.47 117.35 125.45 2day s TYR 43 Ca -0.02 -0.46 -0.31 0.00 -0.37 0.00 0.00 57.07 55.90 2day s TYR 43 Cb -0.11 -0.88 0.13 0.00 -0.40 0.00 0.00 41.96 40.70 2day s TYR 43 CO 0.02 0.51 1.07 -1.50 -1.57 0.00 0.00 175.55 174.09 2day s ILE 44 N -2.73 0.00 -0.11 2.71 2.07 -0.78 -1.82 121.20 120.55 2day s ILE 44 Ca 0.25 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.50 2day s ILE 44 Cb -0.03 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.54 2day s ILE 44 CO 0.10 0.00 -0.11 -0.89 -1.91 0.00 0.00 174.94 172.13 2day s THR 45 N -1.76 3.27 0.17 4.00 2.01 -1.26 0.38 115.64 122.44 2day s THR 45 Ca 0.04 -0.61 0.07 0.00 0.31 0.00 0.00 61.69 61.50 2day s THR 45 Cb -0.01 -2.36 -0.04 0.00 0.01 0.00 0.00 72.50 70.10 2day s THR 45 CO -0.03 0.55 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.54 2day s LEU 46 N -0.06 2.49 0.02 4.42 1.43 -0.90 -4.99 118.68 121.09 2day s LEU 46 Ca -0.02 -0.93 -0.22 0.00 -1.03 0.00 0.00 54.13 51.93 2day s LEU 46 Cb -0.14 -0.64 0.05 0.00 0.03 0.00 0.00 46.19 45.49 2day s LEU 46 CO 0.03 -0.15 0.49 -1.38 0.23 0.00 0.00 176.35 175.58 2day s HIS 47 N -2.60 -0.39 -0.57 0.29 -3.43 -1.26 -3.03 115.29 104.30 2day s HIS 47 Ca 0.17 0.51 -0.27 0.00 -0.80 0.00 0.00 55.06 54.67 2day s HIS 47 Cb -0.03 0.29 -0.02 0.00 -1.43 0.00 0.00 32.58 31.39 2day s HIS 47 CO 0.05 -0.58 1.84 -1.25 -2.00 0.00 0.00 174.74 172.80 2day s PRO 48 N -2.01 2.75 -0.17 -0.38 0.04 -1.26 -4.85 135.00 129.12 2day s PRO 48 Ca -0.08 0.72 0.01 0.00 0.04 0.00 0.00 61.00 61.69 2day s PRO 48 Cb -0.01 -4.35 0.19 0.00 0.04 0.00 0.00 34.50 30.37 2day s PRO 48 CO 0.02 -2.58 1.55 0.00 0.04 0.00 0.00 177.00 176.03 2day n ALA 49 N 12.30 3.96 -0.10 8.56 0.00 -1.26 -3.85 120.51 140.11 2day n ALA 49 Ca 0.21 -1.01 -0.12 0.00 0.00 0.00 0.00 53.44 52.51 2day n ALA 49 Cb 0.51 -1.18 -0.14 0.00 0.00 0.00 0.00 19.45 18.64 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 0.23 1.33 -0.60 0.00 5.66 -1.26 -5.00 114.28 114.65 2day n THR 50 Ca 0.20 -0.70 -0.30 0.00 -3.05 0.00 0.00 64.05 60.20 2day n THR 50 Cb 0.76 -0.83 0.20 0.00 -1.55 0.00 0.00 70.33 68.92 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 -2.90 -2.30 -0.13 1.79 0.00 -1.25 -5.00 120.51 110.73 2day n ALA 51 Ca -0.35 -0.91 -0.25 0.00 0.00 0.00 0.00 53.44 51.92 2day n ALA 51 Cb 1.06 -1.99 -0.09 0.00 0.00 0.00 0.00 19.45 18.43 2day n ALA 51 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2day n GLU 52 N -4.00 0.57 -3.73 0.00 1.02 -1.26 -5.01 120.64 108.24 2day n GLU 52 Ca 0.06 0.30 -0.12 0.00 -0.02 0.00 0.00 57.16 57.38 2day n GLU 52 Cb 0.54 -1.52 -0.13 0.00 -0.02 0.00 0.00 31.44 30.32 2day n GLU 52 CO 0.00 0.00 0.00 0.16 1.18 0.00 0.00 177.13 178.47 2day s ASP 53 N -7.12 -0.30 -0.09 1.62 1.47 -1.26 -5.15 116.67 105.84 2day s ASP 53 Ca -0.35 0.58 0.01 0.00 1.18 0.00 0.00 52.55 53.96 2day s ASP 53 Cb 0.12 0.47 -0.02 0.00 -0.34 0.00 0.00 42.92 43.15 2day s ASP 53 CO 0.48 -0.16 -0.12 -1.10 0.68 0.00 0.00 175.17 174.96 2day s GLN 54 N 1.16 2.98 0.00 2.11 -0.21 -1.26 -4.98 119.66 119.46 2day s GLN 54 Ca -0.08 -0.65 0.00 0.00 0.02 0.00 0.00 55.36 54.64 2day s GLN 54 Cb -0.09 -2.56 0.00 0.00 1.00 0.00 0.00 33.01 31.36 2day s GLN 54 CO -0.08 0.44 0.00 -0.40 -2.12 0.00 0.00 175.29 173.13 2day n ASP 55 N 2.86 0.77 -0.02 5.90 5.75 -1.26 -4.98 116.55 125.57 2day n ASP 55 Ca -0.18 0.00 -0.05 0.00 -0.01 0.00 0.00 54.79 54.55 2day n ASP 55 Cb 0.53 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.60 2day n ASP 55 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 2day n SER 56 N -2.44 0.64 -4.76 -1.12 2.88 -1.26 -5.05 113.62 102.51 2day n SER 56 Ca 0.00 0.10 -0.32 0.00 -1.33 0.00 0.00 58.87 57.32 2day n SER 56 Cb 0.24 -0.24 0.07 0.00 -0.75 0.00 0.00 64.21 63.54 2day n SER 56 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2day s GLN 57 N -2.13 2.45 -0.13 -1.46 0.74 -1.26 -5.05 119.66 112.82 2day s GLN 57 Ca -0.08 1.34 -0.34 0.00 0.05 0.00 0.00 55.36 56.33 2day s GLN 57 Cb 0.03 -1.91 0.13 0.00 1.10 0.00 0.00 33.01 32.36 2day s GLN 57 CO 0.10 -1.51 1.22 1.52 -0.55 0.00 0.00 175.29 176.07 2day s TYR 58 N -2.55 -0.11 -0.29 1.67 -0.85 -1.26 -4.89 117.35 109.07 2day s TYR 58 Ca 0.65 0.04 -0.16 0.00 -0.52 0.00 0.00 57.07 57.08 2day s TYR 58 Cb -0.20 0.53 0.13 0.00 0.38 0.00 0.00 41.96 42.79 2day s TYR 58 CO 0.48 -0.24 0.88 0.54 -1.52 0.00 0.00 175.55 175.70 2day s VAL 59 N -2.44 -0.07 0.03 -3.49 0.11 -1.26 -4.58 120.40 108.69 2day s VAL 59 Ca 0.11 0.00 -0.15 0.00 -2.93 0.00 0.00 61.98 59.01 2day s VAL 59 Cb 0.01 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.88 2day s VAL 59 CO -0.04 0.00 0.33 0.00 -3.33 0.00 0.00 175.10 172.05 2day s PHE 61 N -2.27 -0.19 -0.27 0.00 -0.12 -1.17 -2.70 117.98 111.27 2day s PHE 61 Ca -0.07 0.41 -0.13 0.00 -0.05 0.00 0.00 56.93 57.09 2day s PHE 61 Cb -0.02 0.07 -0.04 0.00 -0.63 0.00 0.00 43.02 42.40 2day s PHE 61 CO -0.01 -0.26 0.31 0.99 -0.05 0.00 0.00 175.22 176.20 2day s THR 62 N -0.65 5.23 -0.27 -4.49 2.01 -1.10 -2.12 115.64 114.25 2day s THR 62 Ca -0.07 0.43 -0.23 0.00 0.31 0.00 0.00 61.69 62.13 2day s THR 62 Cb -0.04 -3.64 -0.01 0.00 0.01 0.00 0.00 72.50 68.82 2day s THR 62 CO 0.02 0.20 0.74 -0.22 -0.69 0.00 0.00 174.62 174.67 2day s LEU 63 N 1.88 4.08 -0.33 4.42 0.20 0.16 -1.15 118.68 127.93 2day s LEU 63 Ca 0.12 0.78 -0.06 0.00 0.69 0.00 0.00 54.13 55.67 2day s LEU 63 Cb -0.16 -3.03 0.04 0.00 -0.43 0.00 0.00 46.19 42.62 2day s LEU 63 CO 0.10 -0.50 0.09 -0.69 -0.29 0.00 0.00 176.35 175.06 2day s VAL 64 N 2.75 3.72 -0.39 1.68 1.01 0.87 -1.86 120.40 128.18 2day s VAL 64 Ca 0.31 -1.12 -0.13 0.00 0.00 0.00 0.00 61.98 61.04 2day s VAL 64 Cb -0.15 -3.09 0.01 0.00 0.00 0.00 0.00 36.38 33.16 2day s VAL 64 CO 0.09 -0.15 0.26 -0.76 0.00 0.00 0.00 175.10 174.55 2day s LEU 65 N 1.40 4.88 -0.69 3.92 1.43 0.38 -1.82 118.68 128.18 2day s LEU 65 Ca -0.02 -0.83 -0.16 0.00 -1.03 0.00 0.00 54.13 52.09 2day s LEU 65 Cb -0.19 -2.12 0.16 0.00 0.03 0.00 0.00 46.19 44.07 2day s LEU 65 CO 0.02 -0.39 0.69 -1.58 0.23 0.00 0.00 176.35 175.32 2day s GLN 66 N 1.65 3.27 -0.45 1.70 0.74 -0.91 -1.69 119.66 123.97 2day s GLN 66 Ca 0.04 -1.91 -0.27 0.00 0.05 0.00 0.00 55.36 53.28 2day s GLN 66 Cb -0.19 -4.39 0.03 0.00 1.10 0.00 0.00 33.01 29.56 2day s GLN 66 CO 0.09 -1.40 0.99 0.08 -0.55 0.00 0.00 175.29 174.50 2day s VAL 67 N 1.39 4.41 1.17 1.34 1.01 -1.09 -1.90 120.40 126.74 2day s VAL 67 Ca 0.12 0.94 -0.18 0.00 0.00 0.00 0.00 61.98 62.86 2day s VAL 67 Cb -0.20 -4.47 0.27 0.00 0.00 0.00 0.00 36.38 31.98 2day s VAL 67 CO -0.02 -0.85 1.11 -2.16 0.00 0.00 0.00 175.10 173.18 2day s PRO 68 N 3.93 -1.00 0.10 2.72 0.04 -1.26 -2.75 135.00 136.78 2day s PRO 68 Ca 0.40 0.01 -0.18 0.00 0.04 0.00 0.00 61.00 61.27 2day s PRO 68 Cb -0.09 -1.62 -0.06 0.00 0.04 0.00 0.00 34.50 32.78 2day s PRO 68 CO 0.27 -3.58 1.58 0.00 0.04 0.00 0.00 177.00 175.31 2day h ALA 69 N -2.49 0.40 -0.67 8.56 0.00 -1.96 -3.06 119.26 120.05 2day h ALA 69 Ca -0.46 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 54.40 2day h ALA 69 Cb 1.30 -0.11 -0.11 0.00 0.00 0.00 0.00 17.79 18.87 2day h ALA 69 CO 0.37 0.08 0.08 0.93 0.00 0.00 0.00 179.25 180.72 2day h GLU 70 N 0.32 0.18 -2.77 0.00 4.39 -1.93 -3.44 114.58 111.33 2day h GLU 70 Ca 0.09 -0.01 -0.31 0.00 0.34 0.00 0.00 59.36 59.47 2day h GLU 70 Cb 0.33 -0.04 0.05 0.00 -0.10 0.00 0.00 28.75 28.99 2day h GLU 70 CO 0.00 0.12 -0.26 0.98 -1.16 0.00 0.00 179.01 178.69 2day n TYR 71 N -5.22 -0.28 0.27 4.33 4.19 -1.16 -1.76 117.16 117.53 2day n TYR 71 Ca 0.11 0.44 0.16 0.00 3.31 0.00 0.00 57.90 61.92 2day n TYR 71 Cb 0.40 -0.90 0.68 0.00 0.49 0.00 0.00 39.34 40.01 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 0.44 0.00 -0.64 2.98 0.13 -1.90 -3.44 132.00 129.57 2day h PRO 72 Ca -0.13 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 65.18 2day h PRO 72 Cb 0.67 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.68 2day h PRO 72 CO 0.26 0.04 0.03 0.72 -0.23 0.00 0.00 178.00 178.82 2day n HIS 73 N -3.16 0.43 -4.07 1.56 8.25 -0.72 -4.21 115.22 113.30 2day n HIS 73 Ca 0.00 0.77 -0.27 0.00 -0.26 0.00 0.00 57.72 57.96 2day n HIS 73 Cb 0.31 -0.99 -0.06 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 -5.48 2.89 0.14 -0.41 2.56 -1.25 -4.90 118.70 112.25 2day s GLU 74 Ca -0.08 -0.82 -0.24 0.00 0.00 0.00 0.00 54.97 53.83 2day s GLU 74 Cb 0.19 -2.67 -0.08 0.00 2.00 0.00 0.00 34.13 33.58 2day s GLU 74 CO 0.50 0.51 0.73 0.14 -0.56 0.00 0.00 175.26 176.57 2day s VAL 75 N -1.65 4.46 0.05 3.70 -7.23 -1.26 -3.95 120.40 114.51 2day s VAL 75 Ca 0.30 1.59 -0.31 0.00 -1.81 0.00 0.00 61.98 61.76 2day s VAL 75 Cb -0.11 -4.08 -0.07 0.00 0.56 0.00 0.00 36.38 32.69 2day s VAL 75 CO 0.23 0.53 1.41 -2.16 -0.31 0.00 0.00 175.10 174.80 2day s PRO 76 N -1.10 4.29 -0.10 4.82 0.04 -1.26 -4.77 135.00 136.91 2day s PRO 76 Ca 0.34 2.03 -0.29 0.00 0.04 0.00 0.00 61.00 63.12 2day s PRO 76 Cb -0.22 -3.46 -0.06 0.00 0.04 0.00 0.00 34.50 30.80 2day s PRO 76 CO 0.24 -0.53 1.89 -0.65 0.04 0.00 0.00 177.00 178.00 2day s GLN 77 N 1.95 3.83 -0.15 4.56 -1.52 -0.80 -4.73 119.66 122.81 2day s GLN 77 Ca 0.65 2.18 -0.23 0.00 -1.95 0.00 0.00 55.36 56.01 2day s GLN 77 Cb -0.34 -4.16 -0.02 0.00 -0.22 0.00 0.00 33.01 28.27 2day s GLN 77 CO 0.28 -1.29 0.73 0.42 -0.25 0.00 0.00 175.29 175.18 2day s ILE 78 N 5.48 4.98 0.01 1.08 1.09 -1.26 -2.15 121.20 130.43 2day s ILE 78 Ca 0.85 1.43 -0.01 0.00 -1.10 0.00 0.00 60.65 61.82 2day s ILE 78 Cb -0.35 -4.05 -0.01 0.00 -1.06 0.00 0.00 42.46 36.99 2day s ILE 78 CO 0.35 0.12 -0.01 -0.44 -0.10 0.00 0.00 174.94 174.87 2day s SER 79 N 1.06 0.18 -0.08 3.58 0.01 -0.76 -5.02 113.70 112.67 2day s SER 79 Ca 0.35 -0.38 0.03 0.00 1.31 0.00 0.00 55.95 57.25 2day s SER 79 Cb -0.17 0.10 -0.02 0.00 0.21 0.00 0.00 66.02 66.14 2day s SER 79 CO 0.13 -0.26 -0.15 -0.63 0.41 0.00 0.00 173.24 172.75 2day s ILE 80 N -1.21 2.97 0.18 1.44 1.01 -1.26 -0.09 121.20 124.24 2day s ILE 80 Ca -0.13 -0.73 0.08 0.00 0.00 0.00 0.00 60.65 59.86 2day s ILE 80 Cb -0.08 -2.19 -0.04 0.00 0.01 0.00 0.00 42.46 40.16 2day s ILE 80 CO -0.01 0.57 -0.01 -0.13 0.00 0.00 0.00 174.94 175.36 2day s ARG 81 N -0.33 2.34 -0.98 2.79 1.81 -0.30 -4.68 118.95 119.60 2day s ARG 81 Ca 0.03 -1.15 -0.11 0.00 -1.72 0.00 0.00 55.73 52.78 2day s ARG 81 Cb -0.13 -2.31 0.02 0.00 -0.45 0.00 0.00 34.95 32.08 2day s ARG 81 CO 0.02 0.44 0.21 -1.71 -0.68 0.00 0.00 175.30 173.58 2day n ASN 82 N -0.16 -0.86 -4.57 0.23 5.15 -1.26 -2.71 115.26 111.09 2day n ASN 82 Ca -0.10 -0.90 -0.27 0.00 -0.60 0.00 0.00 54.58 52.71 2day n ASN 82 Cb 0.55 -1.10 -0.06 0.00 -0.53 0.00 0.00 39.78 38.65 2day n ASN 82 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2day s PRO 83 N -6.36 2.53 -0.02 1.20 0.04 -1.26 -4.60 135.00 126.54 2day s PRO 83 Ca 0.15 -0.72 -0.02 0.00 0.04 0.00 0.00 61.00 60.45 2day s PRO 83 Cb -0.08 -5.15 -0.04 0.00 0.04 0.00 0.00 34.50 29.26 2day s PRO 83 CO 0.69 -3.67 0.13 0.50 0.04 0.00 0.00 177.00 174.69 2day s ARG 84 N 6.74 3.27 0.00 4.56 3.00 -1.10 -4.52 118.95 130.90 2day s ARG 84 Ca 0.69 -0.38 0.00 0.00 -1.00 0.00 0.00 55.73 55.04 2day s ARG 84 Cb -0.04 -3.00 0.00 0.00 0.00 0.00 0.00 34.95 31.91 2day s ARG 84 CO 0.06 0.67 0.00 0.41 0.00 0.00 0.00 175.30 176.44 2day n GLY 85 N 1.14 2.33 3.80 8.12 0.00 -1.26 -2.33 105.19 116.97 2day n GLY 85 Ca -0.13 -0.45 -0.34 0.00 0.00 0.00 0.00 46.02 45.11 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 3.88 0.31 0.99 1.43 -1.26 -4.99 118.68 119.05 2day s LEU 86 Ca 0.00 1.92 0.02 0.00 -1.03 0.00 0.00 54.13 55.04 2day s LEU 86 Cb 0.00 -4.52 -0.03 0.00 0.03 0.00 0.00 46.19 41.67 2day s LEU 86 CO 0.00 -0.71 0.49 -0.44 0.23 0.00 0.00 176.35 175.92 2day s SER 87 N -1.96 6.29 0.21 2.29 0.01 -1.26 -4.84 113.70 114.43 2day s SER 87 Ca 0.66 0.31 -0.20 0.00 1.31 0.00 0.00 55.95 58.03 2day s SER 87 Cb -0.16 -1.96 0.16 0.00 0.21 0.00 0.00 66.02 64.28 2day s SER 87 CO 0.20 -0.23 1.56 -0.78 0.41 0.00 0.00 173.24 174.40 2day h ASP 88 N 0.88 -1.47 0.06 2.44 1.82 -1.97 0.14 116.42 118.32 2day h ASP 88 Ca -0.50 0.29 0.02 0.00 -0.39 0.00 0.00 57.03 56.45 2day h ASP 88 Cb 1.22 0.73 -0.04 0.00 0.68 0.00 0.00 39.33 41.93 2day h ASP 88 CO 0.61 -0.29 -0.26 -0.08 -1.61 0.00 0.00 179.24 177.61 2day h GLU 89 N -0.06 -0.42 0.15 0.28 4.81 -2.00 -2.04 114.58 115.30 2day h GLU 89 Ca 0.29 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.55 2day h GLU 89 Cb 0.57 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.01 2day h GLU 89 CO -0.89 -0.28 -0.40 1.96 -0.73 0.00 0.00 179.01 178.67 2day h GLN 90 N -0.43 -0.59 -0.93 1.92 4.20 -1.36 -1.64 115.11 116.26 2day h GLN 90 Ca 0.05 0.04 0.21 0.00 0.06 0.00 0.00 58.65 59.00 2day h GLN 90 Cb 0.49 0.13 -0.18 0.00 0.30 0.00 0.00 27.48 28.23 2day h GLN 90 CO -0.19 -0.40 -0.15 0.82 -0.67 0.00 0.00 178.83 178.24 2day h ILE 91 N -0.62 0.08 0.05 2.54 2.04 -0.71 0.17 117.51 121.07 2day h ILE 91 Ca -0.01 -0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.87 2day h ILE 91 Cb 0.60 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.71 2day h ILE 91 CO -0.19 0.00 -0.21 -0.74 0.00 0.00 0.00 178.15 177.02 2day h HIS 92 N 0.01 -0.55 -1.06 1.37 2.76 -0.77 -1.63 115.15 115.29 2day h HIS 92 Ca 0.48 0.01 0.28 0.00 -2.20 0.00 0.00 60.37 58.94 2day h HIS 92 Cb 0.82 0.24 -0.10 0.00 1.55 0.00 0.00 27.41 29.92 2day h HIS 92 CO -0.65 -0.30 0.68 1.15 -1.30 0.00 0.00 177.93 177.52 2day h THR 93 N -0.36 0.49 0.00 6.26 2.02 0.25 0.94 112.91 122.52 2day h THR 93 Ca 0.04 -0.13 -0.07 0.00 0.77 0.00 0.00 66.41 67.03 2day h THR 93 Cb 0.41 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 2day h THR 93 CO -0.16 0.07 -0.31 0.40 0.37 0.00 0.00 175.52 175.89 2day h ILE 94 N 0.38 0.88 0.00 3.11 2.04 -0.67 -2.35 117.51 120.90 2day h ILE 94 Ca 0.61 -1.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.21 2day h ILE 94 Cb 1.57 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 39.38 2day h ILE 94 CO -0.31 0.30 -0.35 -0.07 0.00 0.00 0.00 178.15 177.72 2day h LEU 95 N 0.00 0.00 -2.03 1.44 3.38 0.11 -2.88 115.31 115.34 2day h LEU 95 Ca -0.00 -0.25 0.09 0.00 0.09 0.00 0.00 57.88 57.81 2day h LEU 95 Cb 0.71 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2day h LEU 95 CO 0.04 0.82 0.39 0.06 0.09 0.00 0.00 178.44 179.83 2day h GLN 96 N -1.00 0.00 0.00 1.13 3.07 -0.95 -0.02 115.11 117.34 2day h GLN 96 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.69 2day h GLN 96 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.09 2day h GLN 96 CO -0.03 0.00 -0.01 0.28 0.09 0.00 0.00 178.83 179.15 2day h VAL 97 N 0.00 0.00 -0.73 1.86 2.07 -1.54 -3.35 116.25 114.55 2day h VAL 97 Ca 0.15 -0.17 0.21 0.00 0.82 0.00 0.00 66.70 67.72 2day h VAL 97 Cb 0.92 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 2day h VAL 97 CO -0.00 0.00 0.73 -0.07 0.02 0.00 0.00 177.57 178.25 2day h LEU 98 N -0.17 0.00 -0.33 2.57 3.38 -1.33 0.18 115.31 119.62 2day h LEU 98 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 2day h LEU 98 Cb 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2day h LEU 98 CO 0.00 0.00 0.12 1.23 0.09 0.00 0.00 178.44 179.88 2day h GLY 99 N 0.00 0.42 1.63 0.83 0.00 -1.13 -2.57 103.07 102.24 2day h GLY 99 Ca 0.35 -0.07 -0.19 0.00 0.00 0.00 0.00 47.33 47.42 2day h GLY 99 CO -0.00 0.04 -0.77 0.45 0.00 0.00 0.00 176.54 176.25 2day h HIS 100 N 0.26 0.50 -0.30 5.60 3.86 -1.10 -3.09 115.15 120.89 2day h HIS 100 Ca 0.15 -0.23 0.09 0.00 -1.16 0.00 0.00 60.37 59.21 2day h HIS 100 Cb 0.11 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 2day h HIS 100 CO -0.13 0.99 0.33 0.28 0.86 0.00 0.00 177.93 180.27 2day h VAL 101 N 0.24 0.41 0.08 2.45 2.07 -1.18 -0.21 116.25 120.10 2day h VAL 101 Ca -0.04 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 2day h VAL 101 Cb 1.35 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.86 2day h VAL 101 CO 0.13 0.00 -0.04 0.00 0.02 0.00 0.00 177.57 177.68 2day h ALA 102 N 1.61 -0.11 -0.71 1.67 0.00 -1.40 -3.22 119.26 117.10 2day h ALA 102 Ca 0.14 -0.11 0.09 0.00 0.00 0.00 0.00 54.91 55.03 2day h ALA 102 Cb 0.81 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.57 2day h ALA 102 CO -0.00 -0.11 0.35 1.57 0.00 0.00 0.00 179.25 181.06 2day h LYS 103 N -1.01 0.58 0.00 0.00 2.10 -1.50 0.32 116.57 117.07 2day h LYS 103 Ca -0.01 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 2day h LYS 103 Cb 0.26 -0.13 0.00 0.00 -0.90 0.00 0.00 32.23 31.46 2day h LYS 103 CO 0.02 0.39 0.00 0.00 -2.00 0.00 0.00 179.45 177.86 2day n ALA 104 N -2.41 1.19 -0.79 0.07 0.00 -0.13 -1.42 120.51 117.02 2day n ALA 104 Ca 0.11 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.60 2day n ALA 104 Cb 0.27 -1.09 0.06 0.00 0.00 0.00 0.00 19.45 18.69 2day n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2day n GLY 105 N -1.06 3.01 3.74 0.00 0.00 0.98 -5.07 105.19 106.80 2day n GLY 105 Ca 0.01 -0.51 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.63 3.49 0.00 0.99 1.43 -0.33 -3.47 118.68 119.17 2day s LEU 106 Ca 0.14 2.31 0.00 0.00 -1.03 0.00 0.00 54.13 55.55 2day s LEU 106 Cb 0.12 -4.59 0.00 0.00 0.03 0.00 0.00 46.19 41.76 2day s LEU 106 CO 0.01 -1.84 0.00 0.61 0.23 0.00 0.00 176.35 175.36 2day n GLY 107 N 0.29 2.65 3.34 -3.19 0.00 -1.26 -5.01 105.19 102.01 2day n GLY 107 Ca 0.13 -0.04 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 2day n GLY 107 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2day n THR 108 N 0.00 0.00 -1.53 2.61 -2.24 -1.23 -4.95 114.28 106.95 2day n THR 108 Ca 0.00 -2.14 -0.54 0.00 -2.27 0.00 0.00 64.05 59.10 2day n THR 108 Cb 0.00 1.18 -0.06 0.00 -2.10 0.00 0.00 70.33 69.35 2day n THR 108 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2day n ALA 109 N -0.67 -2.31 0.00 6.98 0.00 -1.26 -4.85 120.51 118.40 2day n ALA 109 Ca -0.13 0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.84 2day n ALA 109 Cb 0.60 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 18.18 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 1.72 0.57 -0.38 0.00 3.85 -1.26 -4.83 117.12 116.80 2day n MET 110 Ca 0.18 0.00 -0.10 0.00 -1.00 0.00 0.00 57.70 56.79 2day n MET 110 Cb 0.16 -0.73 -0.09 0.00 -1.05 0.00 0.00 33.22 31.52 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 -1.72 -0.94 -0.21 3.17 4.77 -1.26 -0.21 117.00 120.60 2day n LEU 111 Ca 0.00 1.59 -0.06 0.00 -0.03 0.00 0.00 56.01 57.51 2day n LEU 111 Cb 0.23 -0.21 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 2day n LEU 111 CO 0.00 -1.30 0.61 0.22 -1.33 0.00 0.00 177.39 175.59 2day h TYR 112 N 0.00 -1.04 0.66 -1.77 3.20 -1.98 -0.26 116.97 115.77 2day h TYR 112 Ca 0.15 0.08 -0.03 0.00 3.14 0.00 0.00 58.73 62.07 2day h TYR 112 Cb 0.37 0.54 -0.01 0.00 1.54 0.00 0.00 36.73 39.17 2day h TYR 112 CO -0.92 -0.40 -0.46 1.49 -1.64 0.00 0.00 178.16 176.23 2day h GLU 113 N -0.18 -1.03 -0.77 1.82 4.81 -0.91 -2.23 114.58 116.09 2day h GLU 113 Ca 0.22 0.07 0.08 0.00 -0.13 0.00 0.00 59.36 59.59 2day h GLU 113 Cb 0.56 0.23 -0.11 0.00 0.63 0.00 0.00 28.75 30.06 2day h GLU 113 CO -0.69 -0.69 -0.57 -0.07 -0.73 0.00 0.00 179.01 176.27 2day h LEU 114 N -1.07 -2.01 -0.59 1.64 3.38 -0.03 0.96 115.31 117.58 2day h LEU 114 Ca -0.08 0.29 0.12 0.00 0.09 0.00 0.00 57.88 58.30 2day h LEU 114 Cb 0.88 0.87 -0.11 0.00 0.09 0.00 0.00 40.66 42.39 2day h LEU 114 CO 0.05 -0.30 -0.17 0.40 0.09 0.00 0.00 178.44 178.51 2day h ILE 115 N -0.16 0.37 -0.66 1.22 2.04 -0.99 0.35 117.51 119.68 2day h ILE 115 Ca 0.13 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.08 2day h ILE 115 Cb 0.49 0.37 -0.07 0.00 -0.74 0.00 0.00 36.82 36.88 2day h ILE 115 CO -0.81 0.00 0.31 -0.33 0.00 0.00 0.00 178.15 177.32 2day h GLU 116 N -0.02 0.52 0.35 2.37 4.39 -0.26 -2.79 114.58 119.14 2day h GLU 116 Ca 0.28 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.95 2day h GLU 116 Cb 0.45 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.96 2day h GLU 116 CO -0.62 0.34 -0.48 -0.22 -1.16 0.00 0.00 179.01 176.87 2day h LYS 117 N 0.53 -0.84 -0.17 2.33 3.11 0.81 -3.12 116.57 119.22 2day h LYS 117 Ca 0.33 0.06 0.02 0.00 -2.81 0.00 0.00 60.65 58.24 2day h LYS 117 Cb 0.35 0.19 -0.02 0.00 -1.00 0.00 0.00 32.23 31.75 2day h LYS 117 CO -0.27 -0.56 -0.10 0.41 -2.81 0.00 0.00 179.45 176.12 2day n GLY 118 N -1.50 -2.20 0.28 5.01 0.00 -0.88 0.31 105.19 106.21 2day n GLY 118 Ca -0.10 0.53 0.04 0.00 0.00 0.00 0.00 46.02 46.49 2day n GLY 118 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2day n LYS 119 N -3.24 -0.08 -0.01 1.61 5.02 -1.18 0.12 118.16 120.39 2day n LYS 119 Ca 0.00 1.22 -0.11 0.00 -2.02 0.00 0.00 58.31 57.41 2day n LYS 119 Cb 0.04 -1.83 -0.05 0.00 -0.02 0.00 0.00 35.03 33.18 2day n LYS 119 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2day h GLU 120 N 0.00 0.16 -0.60 1.97 5.08 -0.12 -2.97 114.58 118.11 2day h GLU 120 Ca 0.37 -0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.78 2day h GLU 120 Cb 0.56 -0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.68 2day h GLU 120 CO -0.81 0.15 -0.56 0.82 -1.00 0.00 0.00 179.01 177.62 2day h ILE 121 N 0.13 0.01 -0.76 3.13 2.04 0.22 0.77 117.51 123.04 2day h ILE 121 Ca 0.04 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.07 2day h ILE 121 Cb 0.03 0.01 -0.11 0.00 -0.74 0.00 0.00 36.82 36.00 2day h ILE 121 CO -0.01 0.00 0.20 -0.07 0.00 0.00 0.00 178.15 178.27 2day h LEU 122 N -0.27 0.04 -9.65 1.44 3.38 -1.37 -3.40 115.31 105.48 2day h LEU 122 Ca 0.11 0.15 -0.52 0.00 0.09 0.00 0.00 57.88 57.71 2day h LEU 122 Cb 0.54 0.19 0.02 0.00 0.09 0.00 0.00 40.66 41.50 2day h LEU 122 CO -0.71 -0.04 0.57 -0.55 0.09 0.00 0.00 178.44 177.80 2day s SER 123 N -5.23 7.07 0.85 -0.43 0.15 0.26 -4.89 113.70 111.48 2day s SER 123 Ca -0.13 2.23 -0.11 0.00 0.70 0.00 0.00 55.95 58.64 2day s SER 123 Cb 0.22 -2.61 0.10 0.00 -1.71 0.00 0.00 66.02 62.03 2day s SER 123 CO 0.76 -0.39 1.09 -0.83 1.20 0.00 0.00 173.24 175.07 2day s GLY 124 N 0.20 1.62 0.00 9.45 0.00 -1.26 -4.89 107.32 112.45 2day s GLY 124 Ca 0.54 -0.09 0.15 0.00 0.00 0.00 0.00 44.72 45.32 2day s GLY 124 CO 0.36 0.37 1.33 -1.55 0.00 0.00 0.00 173.10 173.60 2day n PRO 125 N -3.69 0.49 0.23 2.90 -0.04 -1.26 -3.19 135.00 130.44 2day n PRO 125 Ca 0.07 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.69 2day n PRO 125 Cb 0.55 -1.49 0.83 0.00 -0.04 0.00 0.00 33.50 33.36 2day n PRO 125 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2day h SER 126 N 0.00 0.00 -3.80 3.54 4.64 -2.02 -3.38 113.55 112.53 2day h SER 126 Ca 0.00 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.68 2day h SER 126 Cb 0.00 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 61.90 2day h SER 126 CO 0.00 0.00 -0.56 -0.44 -0.87 0.00 0.00 176.83 174.96 2day s SER 127 N -4.55 5.70 0.00 4.97 0.01 -1.19 -5.30 113.70 113.34 2day s SER 127 Ca -0.03 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.14 2day s SER 127 Cb 0.09 -2.05 0.00 0.00 0.21 0.00 0.00 66.02 64.27 2day s SER 127 CO 0.31 -0.05 0.00 0.61 0.41 0.00 0.00 173.24 174.52