#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 5.53 -0.25 1.61 0.01 -1.26 -5.02 113.70 114.31 2day s SER 2 Ca 0.00 -2.65 -0.16 0.00 1.31 0.00 0.00 55.95 54.45 2day s SER 2 Cb 0.00 -1.92 0.07 0.00 0.21 0.00 0.00 66.02 64.38 2day s SER 2 CO 0.00 -0.45 0.63 -0.55 0.41 0.00 0.00 173.24 173.27 2day s SER 3 N 1.24 -0.81 -0.31 2.44 0.15 -1.26 -5.13 113.70 110.02 2day s SER 3 Ca 0.15 1.35 -0.02 0.00 0.70 0.00 0.00 55.95 58.13 2day s SER 3 Cb -0.20 1.26 0.12 0.00 -1.71 0.00 0.00 66.02 65.49 2day s SER 3 CO -0.04 -0.23 0.19 -0.83 1.20 0.00 0.00 173.24 173.54 2day s GLY 4 N 1.32 0.41 0.67 9.45 0.00 -1.26 -5.14 107.32 112.77 2day s GLY 4 Ca -0.08 -1.09 -0.17 0.00 0.00 0.00 0.00 44.72 43.38 2day s GLY 4 CO -0.14 2.23 1.25 -0.56 0.00 0.00 0.00 173.10 175.88 2day s SER 5 N 1.90 4.57 -0.11 1.64 0.01 -1.26 -4.85 113.70 115.59 2day s SER 5 Ca 0.11 2.49 -0.37 0.00 1.31 0.00 0.00 55.95 59.49 2day s SER 5 Cb -0.17 -2.60 -0.14 0.00 0.21 0.00 0.00 66.02 63.31 2day s SER 5 CO -0.26 -2.02 1.70 -0.24 0.41 0.00 0.00 173.24 172.83 2day n SER 6 N -2.13 2.67 0.00 2.44 2.88 -1.26 -4.48 113.62 113.75 2day n SER 6 Ca 0.15 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 2day n SER 6 Cb 0.49 -1.25 0.00 0.00 -0.75 0.00 0.00 64.21 62.70 2day n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2day n GLY 7 N 3.89 2.21 3.16 0.46 0.00 -1.26 -4.43 105.19 109.22 2day n GLY 7 Ca 0.23 0.38 -0.28 0.00 0.00 0.00 0.00 46.02 46.35 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 0.00 2.08 0.30 1.61 0.41 -1.26 -5.12 118.70 116.73 2day s GLU 8 Ca 0.00 -0.68 -0.29 0.00 -0.41 0.00 0.00 54.97 53.59 2day s GLU 8 Cb 0.00 -1.75 -0.10 0.00 -1.78 0.00 0.00 34.13 30.50 2day s GLU 8 CO 0.00 0.24 1.36 -2.00 -0.49 0.00 0.00 175.26 174.38 2day s GLU 9 N 0.10 4.31 0.13 1.61 2.12 -1.26 -5.02 118.70 120.68 2day s GLU 9 Ca -0.07 2.26 0.05 0.00 0.36 0.00 0.00 54.97 57.58 2day s GLU 9 Cb -0.13 -3.08 -0.04 0.00 0.26 0.00 0.00 34.13 31.14 2day s GLU 9 CO 0.03 -0.29 0.05 -0.51 -0.54 0.00 0.00 175.26 174.00 2day s ASP 10 N -0.14 5.17 -0.30 -1.70 1.01 -1.26 -5.11 116.67 114.34 2day s ASP 10 Ca 0.53 -0.19 -0.15 0.00 0.71 0.00 0.00 52.55 53.44 2day s ASP 10 Cb -0.41 -1.26 0.16 0.00 1.01 0.00 0.00 42.92 42.43 2day s ASP 10 CO 0.50 0.13 1.01 0.86 0.21 0.00 0.00 175.17 177.87 2day s TRP 11 N -1.53 -0.60 0.15 4.23 -0.11 -1.26 -5.04 118.94 114.77 2day s TRP 11 Ca 0.28 1.08 -0.00 0.00 1.22 0.00 0.00 56.10 58.68 2day s TRP 11 Cb -0.11 0.36 -0.04 0.00 -1.50 0.00 0.00 33.47 32.18 2day s TRP 11 CO 0.20 -0.30 1.35 0.28 -4.62 0.00 0.00 176.95 173.86 2day h VAL 12 N 5.34 1.45 -0.67 5.86 2.07 -1.97 -3.10 116.25 125.24 2day h VAL 12 Ca -0.19 -2.54 0.07 0.00 0.82 0.00 0.00 66.70 64.86 2day h VAL 12 Cb 1.14 2.44 -0.10 0.00 -1.52 0.00 0.00 31.29 33.24 2day h VAL 12 CO 0.11 0.75 -0.57 0.25 0.02 0.00 0.00 177.57 178.13 2day h LEU 13 N 0.16 -1.99 -0.98 2.57 5.85 -1.96 0.95 115.31 119.91 2day h LEU 13 Ca -0.06 0.28 -0.11 0.00 0.84 0.00 0.00 57.88 58.84 2day h LEU 13 Cb 1.53 0.85 -0.01 0.00 0.37 0.00 0.00 40.66 43.39 2day h LEU 13 CO 0.15 -0.32 -0.48 1.55 -0.34 0.00 0.00 178.44 178.99 2day h PRO 14 N -0.22 0.07 -0.83 5.25 0.13 -2.00 -2.65 132.00 131.74 2day h PRO 14 Ca 0.11 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 65.20 2day h PRO 14 Cb 0.51 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.60 2day h PRO 14 CO -0.74 0.53 0.50 0.77 -0.23 0.00 0.00 178.00 178.83 2day h SER 15 N 0.05 1.00 0.02 1.44 0.02 -0.92 -2.87 113.55 112.30 2day h SER 15 Ca -0.00 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 60.89 2day h SER 15 Cb 0.87 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.16 2day h SER 15 CO 0.07 0.77 -0.01 -0.08 -1.14 0.00 0.00 176.83 176.44 2day h GLU 16 N 1.15 -0.02 -1.00 3.45 4.57 -0.81 -3.31 114.58 118.62 2day h GLU 16 Ca 0.30 0.00 0.36 0.00 -1.18 0.00 0.00 59.36 58.84 2day h GLU 16 Cb -0.04 0.00 -0.18 0.00 -0.16 0.00 0.00 28.75 28.37 2day h GLU 16 CO -0.06 0.75 0.34 0.28 -1.18 0.00 0.00 179.01 179.14 2day h VAL 17 N -0.86 0.01 -0.88 0.32 2.07 -1.39 0.83 116.25 116.34 2day h VAL 17 Ca -0.00 -0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.72 2day h VAL 17 Cb 0.78 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.43 2day h VAL 17 CO 0.00 0.00 0.38 -0.33 0.02 0.00 0.00 177.57 177.64 2day h GLU 18 N 0.01 0.40 -0.14 1.57 4.39 -1.59 0.10 114.58 119.32 2day h GLU 18 Ca 0.75 -0.02 -0.22 0.00 0.34 0.00 0.00 59.36 60.21 2day h GLU 18 Cb 1.85 -0.09 0.01 0.00 -0.10 0.00 0.00 28.75 30.42 2day h GLU 18 CO -0.83 0.26 -0.77 0.28 -1.16 0.00 0.00 179.01 176.79 2day h VAL 19 N 0.41 1.30 0.55 3.13 2.07 0.49 -3.26 116.25 120.93 2day h VAL 19 Ca 0.54 -2.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.02 2day h VAL 19 Cb 0.99 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.77 2day h VAL 19 CO -0.51 0.63 -0.31 -0.07 0.02 0.00 0.00 177.57 177.32 2day h LEU 20 N 0.49 -0.78 -0.91 2.57 3.38 -0.44 -2.92 115.31 116.70 2day h LEU 20 Ca -0.05 0.04 0.22 0.00 0.09 0.00 0.00 57.88 58.18 2day h LEU 20 Cb 1.39 0.22 -0.17 0.00 0.09 0.00 0.00 40.66 42.19 2day h LEU 20 CO 0.15 -0.50 -0.09 -0.62 0.09 0.00 0.00 178.44 177.48 2day n GLU 21 N -4.33 -0.08 -0.30 1.13 1.02 -0.17 0.14 120.64 118.05 2day n GLU 21 Ca -0.10 1.39 0.12 0.00 -0.02 0.00 0.00 57.16 58.55 2day n GLU 21 Cb 0.33 -2.14 0.29 0.00 -0.02 0.00 0.00 31.44 29.89 2day n GLU 21 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2day h SER 22 N 0.00 0.24 0.00 1.62 0.87 -1.56 1.12 113.55 115.85 2day h SER 22 Ca 0.50 0.16 -0.07 0.00 -1.23 0.00 0.00 61.79 61.15 2day h SER 22 Cb 0.93 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 63.04 2day h SER 22 CO -0.89 -0.03 -0.61 0.40 -0.53 0.00 0.00 176.83 175.17 2day h ILE 23 N 0.35 0.40 -0.80 2.23 2.04 0.13 -3.38 117.51 118.48 2day h ILE 23 Ca 0.54 -1.44 -0.44 0.00 1.00 0.00 0.00 64.86 64.52 2day h ILE 23 Cb 1.03 0.90 -0.17 0.00 -0.74 0.00 0.00 36.82 37.84 2day h ILE 23 CO -0.55 0.14 0.47 -1.22 0.00 0.00 0.00 178.15 176.99 2day n TYR 24 N -4.59 1.76 -0.25 1.37 4.01 0.14 -4.75 117.16 114.85 2day n TYR 24 Ca -0.13 -2.07 -0.07 0.00 -0.16 0.00 0.00 57.90 55.47 2day n TYR 24 Cb 0.36 -1.18 -0.06 0.00 -0.31 0.00 0.00 39.34 38.15 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 0.42 -0.64 -0.11 7.72 4.77 0.39 -2.16 117.00 127.39 2day n LEU 25 Ca 0.41 1.27 -0.20 0.00 -0.03 0.00 0.00 56.01 57.46 2day n LEU 25 Cb 0.57 -0.24 -0.09 0.00 -2.33 0.00 0.00 43.42 41.33 2day n LEU 25 CO 0.40 -0.97 -1.25 -0.67 -1.33 0.00 0.00 177.39 173.57 2day n ASP 26 N -4.45 1.96 -0.27 -1.43 -0.08 -1.26 -4.57 116.55 106.45 2day n ASP 26 Ca 0.01 0.09 0.03 0.00 -1.51 0.00 0.00 54.79 53.42 2day n ASP 26 Cb 0.16 -0.51 0.09 0.00 2.34 0.00 0.00 41.12 43.19 2day n ASP 26 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2day n GLU 27 N -3.60 -0.09 -4.30 -0.67 -0.58 -1.23 -4.22 120.64 105.97 2day n GLU 27 Ca -0.42 1.15 -0.32 0.00 -0.42 0.00 0.00 57.16 57.15 2day n GLU 27 Cb 0.86 -1.71 -0.09 0.00 -0.57 0.00 0.00 31.44 29.93 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 -10.36 3.38 0.17 -4.62 0.20 -0.92 -4.47 118.68 102.06 2day s LEU 28 Ca -0.11 -0.10 0.07 0.00 0.69 0.00 0.00 54.13 54.68 2day s LEU 28 Cb 0.19 -1.99 -0.04 0.00 -0.43 0.00 0.00 46.19 43.92 2day s LEU 28 CO 0.57 0.25 0.03 -1.10 -0.29 0.00 0.00 176.35 175.80 2day s GLN 29 N -1.71 2.50 0.02 1.98 -1.52 -0.75 -4.69 119.66 115.49 2day s GLN 29 Ca 0.20 -1.06 0.03 0.00 -1.95 0.00 0.00 55.36 52.58 2day s GLN 29 Cb -0.11 -2.41 -0.01 0.00 -0.22 0.00 0.00 33.01 30.25 2day s GLN 29 CO 0.11 0.46 -0.09 0.08 -0.25 0.00 0.00 175.29 175.61 2day s VAL 30 N -1.74 0.67 -0.38 1.09 1.01 -1.26 -2.76 120.40 117.03 2day s VAL 30 Ca 0.28 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.58 2day s VAL 30 Cb -0.09 -0.63 0.13 0.00 0.00 0.00 0.00 36.38 35.79 2day s VAL 30 CO 0.19 -0.04 0.20 -0.63 0.00 0.00 0.00 175.10 174.83 2day s ILE 31 N -0.67 0.80 -0.27 2.22 -1.09 0.12 -4.96 121.20 117.35 2day s ILE 31 Ca -0.01 -1.98 -0.29 0.00 -2.23 0.00 0.00 60.65 56.13 2day s ILE 31 Cb -0.06 -1.58 0.00 0.00 -1.58 0.00 0.00 42.46 39.24 2day s ILE 31 CO 0.00 -0.88 1.20 -1.59 -1.23 0.00 0.00 174.94 172.43 2day s LYS 32 N 0.90 4.06 1.41 2.79 -2.85 -1.26 -1.95 119.74 122.83 2day s LYS 32 Ca 0.16 1.28 -0.22 0.00 -1.00 0.00 0.00 55.97 56.18 2day s LYS 32 Cb -0.22 -3.79 0.36 0.00 -2.06 0.00 0.00 37.83 32.12 2day s LYS 32 CO -0.05 -0.93 0.94 0.20 0.10 0.00 0.00 175.35 175.61 2day s GLY 33 N 2.11 1.42 0.09 0.59 0.00 -1.26 -4.93 107.32 105.35 2day s GLY 33 Ca 0.51 -0.80 -0.33 0.00 0.00 0.00 0.00 44.72 44.11 2day s GLY 33 CO 0.17 0.20 1.51 3.43 0.00 0.00 0.00 173.10 178.42 2day h ASN 34 N -3.39 -1.41 0.00 1.64 2.35 -1.95 -3.47 115.58 109.35 2day h ASN 34 Ca -0.44 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 2day h ASN 34 Cb 1.34 0.50 0.00 0.00 0.05 0.00 0.00 38.32 40.21 2day h ASN 34 CO 0.29 -0.56 0.00 0.61 -1.65 0.00 0.00 177.43 176.12 2day n GLY 35 N -1.48 -0.01 3.25 2.83 0.00 -1.26 -5.12 105.19 103.41 2day n GLY 35 Ca -0.09 -0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.75 2day n GLY 35 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2day s ARG 36 N -1.45 1.06 -0.74 1.61 6.06 -1.26 -4.76 118.95 119.48 2day s ARG 36 Ca 0.00 -1.32 0.00 0.00 -2.50 0.00 0.00 55.73 51.91 2day s ARG 36 Cb 0.00 -0.87 0.00 0.00 0.06 0.00 0.00 34.95 34.14 2day s ARG 36 CO 0.00 0.15 0.00 0.25 -2.50 0.00 0.00 175.30 173.20 2day n THR 37 N 0.28 -0.33 -3.68 4.11 -2.24 -1.26 -4.89 114.28 106.28 2day n THR 37 Ca -0.14 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.35 2day n THR 37 Cb 0.58 -1.12 -0.14 0.00 -2.10 0.00 0.00 70.33 67.54 2day n THR 37 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2day s SER 38 N -1.97 3.83 0.15 3.42 1.04 -1.26 -5.06 113.70 113.86 2day s SER 38 Ca 0.00 -1.77 -0.31 0.00 0.48 0.00 0.00 55.95 54.36 2day s SER 38 Cb 0.00 -0.78 -0.08 0.00 0.10 0.00 0.00 66.02 65.26 2day s SER 38 CO 0.00 -0.39 1.33 -2.16 0.98 0.00 0.00 173.24 173.00 2day s PRO 39 N 1.47 4.36 0.82 4.02 0.04 -1.26 -4.30 135.00 140.15 2day s PRO 39 Ca 0.11 2.04 -0.10 0.00 0.04 0.00 0.00 61.00 63.09 2day s PRO 39 Cb -0.19 -3.23 0.09 0.00 0.04 0.00 0.00 34.50 31.21 2day s PRO 39 CO -0.21 -0.33 1.11 -1.58 0.04 0.00 0.00 177.00 176.02 2day s TRP 40 N 0.62 2.27 -0.01 0.56 0.52 -0.48 -4.66 118.94 117.76 2day s TRP 40 Ca 0.60 1.61 0.04 0.00 0.02 0.00 0.00 56.10 58.37 2day s TRP 40 Cb -0.36 -3.14 -0.01 0.00 -1.15 0.00 0.00 33.47 28.81 2day s TRP 40 CO 0.34 -2.15 -0.12 -2.00 0.02 0.00 0.00 176.95 173.05 2day s GLU 41 N -4.82 0.97 -0.03 4.98 2.56 -0.82 -1.44 118.70 120.09 2day s GLU 41 Ca 0.63 -0.42 -0.01 0.00 0.00 0.00 0.00 54.97 55.18 2day s GLU 41 Cb -0.19 -0.93 0.03 0.00 2.00 0.00 0.00 34.13 35.04 2day s GLU 41 CO 0.57 0.24 0.03 0.42 -0.56 0.00 0.00 175.26 175.96 2day s ILE 42 N -0.24 -0.00 0.24 -3.70 1.01 -0.44 0.15 121.20 118.21 2day s ILE 42 Ca 0.04 0.26 0.09 0.00 0.00 0.00 0.00 60.65 61.04 2day s ILE 42 Cb -0.05 -0.17 -0.04 0.00 0.01 0.00 0.00 42.46 42.21 2day s ILE 42 CO -0.00 0.14 -0.03 -0.31 0.00 0.00 0.00 174.94 174.74 2day s TYR 43 N 1.48 2.69 -0.29 3.97 1.51 -1.11 -0.14 117.35 125.46 2day s TYR 43 Ca -0.04 -0.22 -0.22 0.00 -1.01 0.00 0.00 57.07 55.59 2day s TYR 43 Cb -0.13 -1.23 0.14 0.00 -0.11 0.00 0.00 41.96 40.63 2day s TYR 43 CO -0.03 0.59 1.05 -1.50 -1.11 0.00 0.00 175.55 174.55 2day s ILE 44 N -2.14 0.00 -0.09 2.71 2.07 -0.82 -1.80 121.20 121.13 2day s ILE 44 Ca 0.30 0.00 -0.22 0.00 -1.41 0.00 0.00 60.65 59.31 2day s ILE 44 Cb -0.07 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.48 2day s ILE 44 CO 0.19 0.00 0.65 -0.89 -1.91 0.00 0.00 174.94 172.97 2day s THR 45 N 0.63 5.07 0.28 4.00 2.01 -1.26 -0.32 115.64 126.05 2day s THR 45 Ca -0.01 1.32 0.11 0.00 0.31 0.00 0.00 61.69 63.42 2day s THR 45 Cb -0.04 -3.98 -0.05 0.00 0.01 0.00 0.00 72.50 68.43 2day s THR 45 CO -0.10 0.25 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.15 2day s LEU 46 N 0.89 2.61 -0.17 4.42 1.02 -0.98 -4.98 118.68 121.50 2day s LEU 46 Ca 0.34 -1.06 -0.30 0.00 0.02 0.00 0.00 54.13 53.13 2day s LEU 46 Cb -0.17 -1.03 0.13 0.00 0.02 0.00 0.00 46.19 45.14 2day s LEU 46 CO 0.16 -0.03 0.99 -1.38 0.02 0.00 0.00 176.35 176.10 2day s HIS 47 N -2.59 -0.38 -0.82 0.29 -3.43 -1.26 -3.36 115.29 103.74 2day s HIS 47 Ca 0.30 0.69 -0.25 0.00 -0.80 0.00 0.00 55.06 54.99 2day s HIS 47 Cb -0.03 0.44 -0.04 0.00 -1.43 0.00 0.00 32.58 31.52 2day s HIS 47 CO 0.14 -0.34 1.92 -1.25 -2.00 0.00 0.00 174.74 173.22 2day s PRO 48 N -1.00 2.58 -0.12 -0.38 0.04 -1.26 -4.83 135.00 130.02 2day s PRO 48 Ca -0.02 -0.03 -0.02 0.00 0.04 0.00 0.00 61.00 60.97 2day s PRO 48 Cb -0.01 -4.87 -0.03 0.00 0.04 0.00 0.00 34.50 29.63 2day s PRO 48 CO 0.01 -3.19 2.57 0.00 0.04 0.00 0.00 177.00 176.43 2day n ALA 49 N 13.62 5.22 0.00 8.56 0.00 -1.26 -3.54 120.51 143.10 2day n ALA 49 Ca 0.34 -1.25 0.00 0.00 0.00 0.00 0.00 53.44 52.53 2day n ALA 49 Cb 0.48 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 1.48 0.00 -3.00 0.00 5.66 -1.26 -4.88 114.28 112.27 2day n THR 50 Ca 0.25 0.00 -0.44 0.00 -3.05 0.00 0.00 64.05 60.81 2day n THR 50 Cb 0.64 -0.56 0.00 0.00 -1.55 0.00 0.00 70.33 68.87 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 -1.59 4.39 -0.70 1.79 0.00 -1.23 -4.81 120.51 118.35 2day n ALA 51 Ca 0.00 -4.48 -0.19 0.00 0.00 0.00 0.00 53.44 48.78 2day n ALA 51 Cb 0.32 -2.75 0.10 0.00 0.00 0.00 0.00 19.45 17.12 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 3.79 1.95 0.00 0.00 1.02 -1.26 -4.04 120.64 122.10 2day n GLU 52 Ca 0.31 -2.11 0.00 0.00 -0.02 0.00 0.00 57.16 55.34 2day n GLU 52 Cb 0.39 -1.83 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 2day n GLU 52 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2day n ASP 53 N -0.46 2.70 -4.73 1.62 -0.08 -1.26 -5.04 116.55 109.30 2day n ASP 53 Ca 0.41 0.00 -0.39 0.00 -1.51 0.00 0.00 54.79 53.31 2day n ASP 53 Cb 1.07 0.00 -0.05 0.00 2.34 0.00 0.00 41.12 44.47 2day n ASP 53 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2day s GLN 54 N -1.77 4.36 0.00 -0.67 -2.07 -1.26 -4.92 119.66 113.33 2day s GLN 54 Ca 0.00 0.66 0.00 0.00 -1.82 0.00 0.00 55.36 54.20 2day s GLN 54 Cb 0.00 -3.41 0.00 0.00 -1.09 0.00 0.00 33.01 28.51 2day s GLN 54 CO 0.00 0.19 0.00 -0.25 -1.32 0.00 0.00 175.29 173.91 2day n ASP 55 N 3.43 2.36 -0.25 12.60 9.92 -1.26 -4.81 116.55 138.55 2day n ASP 55 Ca -0.05 0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.33 2day n ASP 55 Cb 0.51 0.06 0.25 0.00 -0.64 0.00 0.00 41.12 41.29 2day n ASP 55 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 2day n SER 56 N -1.92 -0.04 -4.92 -2.24 2.88 -1.26 -4.37 113.62 101.76 2day n SER 56 Ca 0.00 1.24 -0.21 0.00 -1.33 0.00 0.00 58.87 58.57 2day n SER 56 Cb 0.28 -0.47 0.08 0.00 -0.75 0.00 0.00 64.21 63.35 2day n SER 56 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2day s GLN 57 N -5.57 2.05 0.18 -1.46 0.00 -1.26 -5.14 119.66 108.46 2day s GLN 57 Ca -0.09 -1.53 -0.10 0.00 -0.00 0.00 0.00 55.36 53.64 2day s GLN 57 Cb 0.22 -2.54 -0.01 0.00 0.00 0.00 0.00 33.01 30.68 2day s GLN 57 CO 0.57 -1.10 0.32 1.52 0.00 0.00 0.00 175.29 176.61 2day s TYR 58 N -2.84 0.37 -0.29 9.60 -0.85 -1.26 -5.08 117.35 117.00 2day s TYR 58 Ca 0.64 -0.72 -0.21 0.00 -0.52 0.00 0.00 57.07 56.26 2day s TYR 58 Cb -0.05 -0.00 0.13 0.00 0.38 0.00 0.00 41.96 42.42 2day s TYR 58 CO 0.41 -0.76 1.01 0.54 -1.52 0.00 0.00 175.55 175.23 2day s VAL 59 N -3.97 0.00 -0.19 -3.49 0.11 -1.26 -4.55 120.40 107.05 2day s VAL 59 Ca 0.18 0.00 -0.32 0.00 -2.93 0.00 0.00 61.98 58.91 2day s VAL 59 Cb 0.03 -1.00 0.15 0.00 -1.53 0.00 0.00 36.38 34.02 2day s VAL 59 CO 0.01 0.00 1.16 0.00 -3.33 0.00 0.00 175.10 172.94 2day s PHE 61 N -1.73 0.17 -0.28 0.00 -0.12 -1.21 -2.74 117.98 112.05 2day s PHE 61 Ca 0.06 -0.53 -0.07 0.00 -0.05 0.00 0.00 56.93 56.34 2day s PHE 61 Cb -0.01 0.10 -0.00 0.00 -0.63 0.00 0.00 43.02 42.48 2day s PHE 61 CO -0.04 -0.75 0.08 0.99 -0.05 0.00 0.00 175.22 175.45 2day s THR 62 N -3.91 4.09 -0.35 -4.49 2.01 -1.11 -2.31 115.64 109.56 2day s THR 62 Ca 0.12 -0.54 -0.26 0.00 0.31 0.00 0.00 61.69 61.32 2day s THR 62 Cb 0.02 -3.05 0.01 0.00 0.01 0.00 0.00 72.50 69.50 2day s THR 62 CO -0.03 0.15 0.94 -0.22 -0.69 0.00 0.00 174.62 174.77 2day s LEU 63 N 1.54 3.99 -0.21 4.42 0.20 0.57 -1.94 118.68 127.24 2day s LEU 63 Ca 0.04 0.69 -0.06 0.00 0.69 0.00 0.00 54.13 55.48 2day s LEU 63 Cb -0.17 -3.30 -0.03 0.00 -0.43 0.00 0.00 46.19 42.26 2day s LEU 63 CO 0.03 -0.84 0.04 -0.69 -0.29 0.00 0.00 176.35 174.60 2day s VAL 64 N 3.46 4.24 -0.30 1.68 1.01 -0.37 -1.93 120.40 128.19 2day s VAL 64 Ca 0.39 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.19 2day s VAL 64 Cb -0.12 -2.94 0.09 0.00 0.00 0.00 0.00 36.38 33.41 2day s VAL 64 CO 0.17 0.41 0.01 -0.76 0.00 0.00 0.00 175.10 174.93 2day s LEU 65 N 1.06 3.88 -0.72 3.92 1.43 0.80 -1.70 118.68 127.35 2day s LEU 65 Ca 0.03 -1.80 -0.17 0.00 -1.03 0.00 0.00 54.13 51.17 2day s LEU 65 Cb -0.14 -1.46 0.15 0.00 0.03 0.00 0.00 46.19 44.77 2day s LEU 65 CO 0.02 -0.32 0.76 0.00 0.23 0.00 0.00 176.35 177.04 2day s GLN 66 N 1.10 3.31 -0.09 1.70 0.00 -1.21 -1.33 119.66 123.14 2day s GLN 66 Ca 0.04 -1.85 -0.30 0.00 -0.00 0.00 0.00 55.36 53.26 2day s GLN 66 Cb -0.19 -4.43 -0.04 0.00 0.00 0.00 0.00 33.01 28.35 2day s GLN 66 CO -0.09 -1.46 1.53 0.08 0.00 0.00 0.00 175.29 175.35 2day s VAL 67 N 1.64 3.81 0.47 3.63 1.01 -0.52 -3.61 120.40 126.84 2day s VAL 67 Ca 0.15 0.98 -0.08 0.00 0.00 0.00 0.00 61.98 63.04 2day s VAL 67 Cb -0.17 -3.63 0.12 0.00 0.00 0.00 0.00 36.38 32.69 2day s VAL 67 CO -0.02 -0.09 0.42 -0.81 0.00 0.00 0.00 175.10 174.60 2day n PRO 68 N 6.96 -1.84 0.04 2.72 -0.04 -1.26 -1.38 135.00 140.20 2day n PRO 68 Ca 0.16 -0.67 -0.20 0.00 -0.04 0.00 0.00 63.50 62.75 2day n PRO 68 Cb 0.43 -0.63 -0.14 0.00 -0.04 0.00 0.00 33.50 33.12 2day n PRO 68 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2day h ALA 69 N -2.29 -0.06 -0.67 0.55 0.00 -1.95 -3.34 119.26 111.50 2day h ALA 69 Ca -0.16 -0.73 0.12 0.00 0.00 0.00 0.00 54.91 54.15 2day h ALA 69 Cb 0.48 0.13 -0.09 0.00 0.00 0.00 0.00 17.79 18.32 2day h ALA 69 CO 0.10 0.40 0.23 0.93 0.00 0.00 0.00 179.25 180.91 2day h GLU 70 N -0.39 0.36 -2.77 0.00 5.08 -1.94 -3.44 114.58 111.48 2day h GLU 70 Ca -0.15 -0.02 -0.31 0.00 -1.00 0.00 0.00 59.36 57.88 2day h GLU 70 Cb 1.63 -0.08 0.05 0.00 0.50 0.00 0.00 28.75 30.85 2day h GLU 70 CO 0.14 0.24 -0.28 0.98 -1.00 0.00 0.00 179.01 179.09 2day n TYR 71 N -5.04 -0.37 0.21 4.33 4.19 -1.25 -2.19 117.16 117.04 2day n TYR 71 Ca 0.11 0.42 0.08 0.00 3.31 0.00 0.00 57.90 61.82 2day n TYR 71 Cb 0.36 -0.89 0.45 0.00 0.49 0.00 0.00 39.34 39.75 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 0.40 0.00 -0.64 2.98 0.13 -1.92 -3.44 132.00 129.52 2day h PRO 72 Ca -0.14 0.00 0.25 0.00 -0.87 0.00 0.00 66.00 65.25 2day h PRO 72 Cb 0.67 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.70 2day h PRO 72 CO 0.25 0.28 0.36 0.72 -0.23 0.00 0.00 178.00 179.39 2day n HIS 73 N -3.60 0.62 -4.30 1.56 8.25 -0.93 -4.07 115.22 112.76 2day n HIS 73 Ca -0.01 0.63 -0.31 0.00 -0.26 0.00 0.00 57.72 57.77 2day n HIS 73 Cb 0.42 -1.06 -0.10 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 -4.82 2.38 0.24 -0.41 2.12 -1.25 -4.95 118.70 112.01 2day s GLU 74 Ca -0.05 -0.87 -0.30 0.00 0.36 0.00 0.00 54.97 54.11 2day s GLU 74 Cb 0.19 -2.43 -0.09 0.00 0.26 0.00 0.00 34.13 32.06 2day s GLU 74 CO 0.46 0.55 0.95 0.14 -0.54 0.00 0.00 175.26 176.82 2day s VAL 75 N -1.15 4.05 -0.08 3.70 -7.23 -1.26 -3.82 120.40 114.62 2day s VAL 75 Ca 0.21 2.06 -0.30 0.00 -1.81 0.00 0.00 61.98 62.14 2day s VAL 75 Cb -0.11 -4.31 -0.04 0.00 0.56 0.00 0.00 36.38 32.47 2day s VAL 75 CO 0.12 0.49 1.51 -2.16 -0.31 0.00 0.00 175.10 174.75 2day s PRO 76 N -1.17 4.21 -0.05 4.82 0.04 -1.26 -4.79 135.00 136.80 2day s PRO 76 Ca 0.41 2.01 -0.30 0.00 0.04 0.00 0.00 61.00 63.17 2day s PRO 76 Cb -0.26 -3.86 -0.08 0.00 0.04 0.00 0.00 34.50 30.33 2day s PRO 76 CO 0.32 -0.77 2.06 1.04 0.04 0.00 0.00 177.00 179.69 2day n GLN 77 N 6.73 2.54 -3.09 4.56 6.02 -1.24 -4.88 117.38 128.03 2day n GLN 77 Ca 0.16 0.87 -0.40 0.00 -0.01 0.00 0.00 57.00 57.62 2day n GLN 77 Cb 0.43 -3.06 -0.05 0.00 1.02 0.00 0.00 30.24 28.58 2day n GLN 77 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2day s ILE 78 N 5.72 5.02 0.11 5.09 1.09 -1.26 -3.29 121.20 133.69 2day s ILE 78 Ca 0.93 1.29 0.01 0.00 -1.10 0.00 0.00 60.65 61.78 2day s ILE 78 Cb -0.42 -3.98 -0.04 0.00 -1.06 0.00 0.00 42.46 36.95 2day s ILE 78 CO 0.40 0.16 -0.02 -0.94 -0.10 0.00 0.00 174.94 174.44 2day s SER 79 N 1.03 0.88 -0.04 3.58 1.04 -0.69 -4.99 113.70 114.51 2day s SER 79 Ca 0.32 -1.07 0.02 0.00 0.48 0.00 0.00 55.95 55.70 2day s SER 79 Cb -0.16 0.15 0.01 0.00 0.10 0.00 0.00 66.02 66.12 2day s SER 79 CO 0.13 -0.56 -0.09 -0.63 0.98 0.00 0.00 173.24 173.06 2day s ILE 80 N -3.76 0.84 0.07 -1.02 1.01 -1.26 -1.23 121.20 115.84 2day s ILE 80 Ca 0.15 -0.37 0.07 0.00 0.00 0.00 0.00 60.65 60.50 2day s ILE 80 Cb 0.06 -0.76 -0.04 0.00 0.01 0.00 0.00 42.46 41.74 2day s ILE 80 CO -0.03 0.27 -0.14 -0.13 0.00 0.00 0.00 174.94 174.91 2day s ARG 81 N 0.35 2.10 -1.30 2.79 0.52 -0.82 -4.71 118.95 117.89 2day s ARG 81 Ca -0.06 -0.99 -0.13 0.00 -0.52 0.00 0.00 55.73 54.03 2day s ARG 81 Cb -0.11 -2.26 0.00 0.00 0.52 0.00 0.00 34.95 33.11 2day s ARG 81 CO 0.01 0.53 0.55 -1.71 0.02 0.00 0.00 175.30 174.70 2day n ASN 82 N 1.15 -2.50 -4.57 0.23 2.85 -1.26 -2.76 115.26 108.39 2day n ASN 82 Ca -0.15 -1.08 -0.27 0.00 -0.11 0.00 0.00 54.58 52.96 2day n ASN 82 Cb 0.52 -2.82 -0.06 0.00 1.24 0.00 0.00 39.78 38.67 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 -6.57 2.53 0.10 1.20 0.04 -1.26 -4.48 135.00 126.55 2day s PRO 83 Ca 0.24 -0.73 0.02 0.00 0.04 0.00 0.00 61.00 60.58 2day s PRO 83 Cb -0.10 -5.15 -0.04 0.00 0.04 0.00 0.00 34.50 29.25 2day s PRO 83 CO 0.90 -3.68 0.16 0.50 0.04 0.00 0.00 177.00 174.93 2day s ARG 84 N 6.74 3.15 0.00 4.56 6.06 -1.11 -4.54 118.95 133.80 2day s ARG 84 Ca 0.69 -0.63 0.00 0.00 -2.50 0.00 0.00 55.73 53.29 2day s ARG 84 Cb -0.04 -2.85 0.00 0.00 0.06 0.00 0.00 34.95 32.12 2day s ARG 84 CO 0.06 0.56 0.00 0.41 -2.50 0.00 0.00 175.30 173.83 2day n GLY 85 N 0.10 1.83 3.87 8.12 0.00 -1.26 -2.32 105.19 115.53 2day n GLY 85 Ca -0.07 -0.20 -0.31 0.00 0.00 0.00 0.00 46.02 45.44 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 3.04 0.26 0.99 1.43 -1.26 -4.94 118.68 118.20 2day s LEU 86 Ca 0.00 1.30 0.08 0.00 -1.03 0.00 0.00 54.13 54.48 2day s LEU 86 Cb 0.00 -4.20 -0.04 0.00 0.03 0.00 0.00 46.19 41.98 2day s LEU 86 CO 0.00 -1.18 0.16 -0.44 0.23 0.00 0.00 176.35 175.11 2day s SER 87 N -4.22 5.28 0.34 2.29 0.01 -1.26 -4.89 113.70 111.25 2day s SER 87 Ca 0.57 -0.36 0.11 0.00 1.31 0.00 0.00 55.95 57.57 2day s SER 87 Cb -0.11 -1.24 1.03 0.00 0.21 0.00 0.00 66.02 65.90 2day s SER 87 CO 0.53 -0.05 1.58 0.44 0.41 0.00 0.00 173.24 176.15 2day h ASP 88 N 1.57 -0.09 0.39 2.44 5.19 -1.98 0.22 116.42 124.15 2day h ASP 88 Ca -0.47 0.27 -0.02 0.00 -0.62 0.00 0.00 57.03 56.19 2day h ASP 88 Cb 1.24 0.38 0.00 0.00 0.18 0.00 0.00 39.33 41.13 2day h ASP 88 CO 0.61 -0.38 -0.19 -0.08 -3.12 0.00 0.00 179.24 176.08 2day h GLU 89 N 0.02 -0.50 -0.08 3.56 4.57 -2.00 -2.61 114.58 117.54 2day h GLU 89 Ca 0.71 0.03 0.04 0.00 -1.18 0.00 0.00 59.36 58.96 2day h GLU 89 Cb 1.69 0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 30.33 2day h GLU 89 CO -0.84 -0.20 -0.43 1.96 -1.18 0.00 0.00 179.01 178.32 2day h GLN 90 N -0.80 -0.51 -0.46 1.92 4.20 -1.06 -2.17 115.11 116.22 2day h GLN 90 Ca -0.05 0.04 0.08 0.00 0.06 0.00 0.00 58.65 58.77 2day h GLN 90 Cb 0.53 0.12 -0.10 0.00 0.30 0.00 0.00 27.48 28.33 2day h GLN 90 CO 0.09 -0.34 -0.40 0.82 -0.67 0.00 0.00 178.83 178.32 2day h ILE 91 N -0.53 0.13 -0.54 2.54 2.04 -1.04 -1.55 117.51 118.56 2day h ILE 91 Ca 0.06 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.01 2day h ILE 91 Cb 0.64 0.13 -0.10 0.00 -0.74 0.00 0.00 36.82 36.75 2day h ILE 91 CO -0.37 0.00 -0.40 -0.74 0.00 0.00 0.00 178.15 176.64 2day h HIS 92 N -0.27 -1.16 -0.72 1.37 2.76 -1.03 -1.76 115.15 114.34 2day h HIS 92 Ca 0.16 0.08 0.08 0.00 -2.20 0.00 0.00 60.37 58.49 2day h HIS 92 Cb 0.57 0.59 -0.11 0.00 1.55 0.00 0.00 27.41 30.01 2day h HIS 92 CO -0.63 -0.41 -0.55 1.15 -1.30 0.00 0.00 177.93 176.19 2day h THR 93 N -0.23 0.01 -1.34 6.26 2.02 -0.68 0.89 112.91 119.85 2day h THR 93 Ca 0.19 0.00 0.39 0.00 0.77 0.00 0.00 66.41 67.75 2day h THR 93 Cb 0.56 0.01 -0.05 0.00 -1.74 0.00 0.00 68.15 66.93 2day h THR 93 CO -0.66 0.00 0.97 0.40 0.37 0.00 0.00 175.52 176.61 2day h ILE 94 N -0.18 0.31 0.00 3.11 2.04 -1.05 0.20 117.51 121.95 2day h ILE 94 Ca 0.14 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.00 2day h ILE 94 Cb 0.51 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 2day h ILE 94 CO -0.78 0.00 -0.02 -0.07 0.00 0.00 0.00 178.15 177.28 2day h LEU 95 N 0.00 0.00 -1.12 1.44 3.38 0.93 -3.00 115.31 116.95 2day h LEU 95 Ca 0.63 0.00 0.37 0.00 0.09 0.00 0.00 57.88 58.97 2day h LEU 95 Cb 2.57 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 43.18 2day h LEU 95 CO -0.01 0.07 0.64 0.06 0.09 0.00 0.00 178.44 179.29 2day h GLN 96 N -0.12 0.20 0.00 1.13 3.07 -0.52 0.20 115.11 119.08 2day h GLN 96 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.73 2day h GLN 96 Cb 0.02 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 27.53 2day h GLN 96 CO 0.00 0.13 0.00 0.28 0.09 0.00 0.00 178.83 179.33 2day n VAL 97 N -4.98 0.00 -0.33 1.86 0.31 0.67 -3.52 118.33 112.34 2day n VAL 97 Ca 0.34 1.11 0.20 0.00 -0.01 0.00 0.00 64.34 65.99 2day n VAL 97 Cb 1.15 -2.07 0.42 0.00 -0.91 0.00 0.00 33.84 32.43 2day n VAL 97 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2day h LEU 98 N 0.00 0.38 -0.87 7.52 3.38 -1.26 -0.36 115.31 124.12 2day h LEU 98 Ca 0.00 0.19 0.16 0.00 0.09 0.00 0.00 57.88 58.32 2day h LEU 98 Cb 0.00 0.17 -0.16 0.00 0.09 0.00 0.00 40.66 40.76 2day h LEU 98 CO 0.00 -0.13 -0.29 1.23 0.09 0.00 0.00 178.44 179.34 2day h GLY 99 N 0.31 0.34 0.70 0.83 0.00 -0.66 -1.01 103.07 103.59 2day h GLY 99 Ca 0.68 0.38 -0.01 0.00 0.00 0.00 0.00 47.33 48.38 2day h GLY 99 CO -0.61 -0.28 -0.13 0.84 0.00 0.00 0.00 176.54 176.36 2day h HIS 100 N -0.03 -0.33 -1.00 5.60 -0.00 -1.10 -3.07 115.15 115.22 2day h HIS 100 Ca 0.37 -0.01 0.39 0.00 -0.00 0.00 0.00 60.37 61.13 2day h HIS 100 Cb 0.62 0.11 -0.18 0.00 -0.00 0.00 0.00 27.41 27.96 2day h HIS 100 CO -0.74 -0.02 0.45 0.28 -0.00 0.00 0.00 177.93 177.91 2day h VAL 101 N -0.66 0.00 -0.01 5.26 2.07 -1.09 0.92 116.25 122.75 2day h VAL 101 Ca -0.04 -0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.50 2day h VAL 101 Cb 0.46 -0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.18 2day h VAL 101 CO 0.06 0.00 -0.50 0.00 0.02 0.00 0.00 177.57 177.15 2day h ALA 102 N 2.00 -0.92 -0.84 1.67 0.00 -1.18 -0.79 119.26 119.20 2day h ALA 102 Ca 0.81 -0.08 0.12 0.00 0.00 0.00 0.00 54.91 55.76 2day h ALA 102 Cb 2.07 0.93 -0.06 0.00 0.00 0.00 0.00 17.79 20.73 2day h ALA 102 CO -0.80 -1.07 0.55 0.87 0.00 0.00 0.00 179.25 178.80 2day h LYS 103 N -0.62 0.67 0.00 0.00 1.57 -0.94 0.20 116.57 117.45 2day h LYS 103 Ca 0.01 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2day h LYS 103 Cb 0.67 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 2day h LYS 103 CO -0.34 0.44 -0.01 0.00 -0.57 0.00 0.00 179.45 178.97 2day h ALA 104 N 1.60 1.24 -0.65 3.86 0.00 -0.71 -2.39 119.26 122.21 2day h ALA 104 Ca 0.41 -0.01 -0.47 0.00 0.00 0.00 0.00 54.91 54.83 2day h ALA 104 Cb 0.61 -0.00 -0.39 0.00 0.00 0.00 0.00 17.79 18.01 2day h ALA 104 CO -0.17 0.01 -0.82 0.41 0.00 0.00 0.00 179.25 178.69 2day n GLY 105 N -1.10 5.88 3.86 0.00 0.00 0.69 -5.06 105.19 109.46 2day n GLY 105 Ca -0.03 -2.40 -0.31 0.00 0.00 0.00 0.00 46.02 43.28 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 -3.55 3.62 0.00 0.99 1.43 -0.90 -3.88 118.68 116.39 2day s LEU 106 Ca 0.48 1.34 0.00 0.00 -1.03 0.00 0.00 54.13 54.91 2day s LEU 106 Cb 0.40 -4.28 0.00 0.00 0.03 0.00 0.00 46.19 42.34 2day s LEU 106 CO 0.02 -0.58 0.00 0.61 0.23 0.00 0.00 176.35 176.64 2day n GLY 107 N -1.77 2.78 3.43 -3.19 0.00 -1.26 -4.94 105.19 100.23 2day n GLY 107 Ca 0.04 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 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 -1.00 0.49 0.08 2.61 -4.23 -1.25 -4.94 115.64 107.40 2day s THR 108 Ca 0.00 -2.00 -0.35 0.00 -1.18 0.00 0.00 61.69 58.16 2day s THR 108 Cb 0.00 -2.45 -0.15 0.00 1.34 0.00 0.00 72.50 71.24 2day s THR 108 CO 0.00 0.00 1.52 0.00 -0.54 0.00 0.00 174.62 175.60 2day n ALA 109 N -0.76 0.31 0.00 3.99 0.00 -1.26 -4.84 120.51 117.95 2day n ALA 109 Ca -0.02 0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2day n ALA 109 Cb 0.65 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.85 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 3.48 0.87 -0.30 0.00 3.85 -1.26 -4.81 117.12 118.95 2day n MET 110 Ca 0.19 0.00 0.09 0.00 -1.00 0.00 0.00 57.70 56.97 2day n MET 110 Cb 0.24 -0.80 0.18 0.00 -1.05 0.00 0.00 33.22 31.79 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 -1.85 -0.21 0.06 3.17 4.77 -1.26 0.39 117.00 122.07 2day n LEU 111 Ca 0.00 1.47 -0.12 0.00 -0.03 0.00 0.00 56.01 57.33 2day n LEU 111 Cb 0.30 -0.49 -0.05 0.00 -2.33 0.00 0.00 43.42 40.85 2day n LEU 111 CO 0.00 -1.44 0.65 0.22 -1.33 0.00 0.00 177.39 175.48 2day h TYR 112 N 0.00 -0.89 0.82 -1.77 3.20 -1.97 -0.81 116.97 115.55 2day h TYR 112 Ca 0.46 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 62.32 2day h TYR 112 Cb 0.84 0.39 0.01 0.00 1.54 0.00 0.00 36.73 39.51 2day h TYR 112 CO -0.55 -0.41 -0.39 1.49 -1.64 0.00 0.00 178.16 176.65 2day h GLU 113 N -0.47 -1.06 -0.96 1.82 4.22 -0.38 -1.50 114.58 116.24 2day h GLU 113 Ca 0.06 0.07 0.23 0.00 0.08 0.00 0.00 59.36 59.81 2day h GLU 113 Cb 0.56 0.24 -0.18 0.00 0.50 0.00 0.00 28.75 29.87 2day h GLU 113 CO -0.27 -0.70 -0.08 -0.07 -2.18 0.00 0.00 179.01 175.71 2day h LEU 114 N -1.17 -0.64 -0.10 1.64 3.38 -0.75 0.39 115.31 118.05 2day h LEU 114 Ca -0.11 0.28 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 2day h LEU 114 Cb 0.85 0.52 -0.00 0.00 0.09 0.00 0.00 40.66 42.12 2day h LEU 114 CO 0.18 -0.33 0.03 0.40 0.09 0.00 0.00 178.44 178.82 2day h ILE 115 N 0.01 1.18 -0.63 1.22 2.04 -1.01 -1.37 117.51 118.95 2day h ILE 115 Ca 0.53 -0.56 0.07 0.00 1.00 0.00 0.00 64.86 65.90 2day h ILE 115 Cb 0.99 1.36 -0.06 0.00 -0.74 0.00 0.00 36.82 38.37 2day h ILE 115 CO -0.93 0.16 0.30 -0.33 0.00 0.00 0.00 178.15 177.35 2day h GLU 116 N -0.03 0.54 -0.35 2.37 4.39 0.68 -2.26 114.58 119.92 2day h GLU 116 Ca 0.03 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2day h GLU 116 Cb 0.23 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 2day h GLU 116 CO -0.00 0.35 0.13 -0.22 -1.16 0.00 0.00 179.01 178.11 2day h LYS 117 N 0.55 0.53 -0.77 2.33 1.63 -0.49 -3.11 116.57 117.25 2day h LYS 117 Ca 0.30 -0.10 0.07 0.00 -0.85 0.00 0.00 60.65 60.06 2day h LYS 117 Cb 0.27 -0.08 -0.09 0.00 -0.60 0.00 0.00 32.23 31.72 2day h LYS 117 CO -0.23 0.53 -0.45 0.41 -3.45 0.00 0.00 179.45 176.26 2day n GLY 118 N -0.72 -2.52 0.18 5.01 0.00 -0.53 -0.33 105.19 106.29 2day n GLY 118 Ca -0.01 1.01 -0.04 0.00 0.00 0.00 0.00 46.02 46.98 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 0.24 -0.36 1.61 1.57 -1.56 -2.41 116.57 115.66 2day h LYS 119 Ca 0.12 -0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.97 2day h LYS 119 Cb 0.31 -0.05 -0.08 0.00 0.08 0.00 0.00 32.23 32.49 2day h LYS 119 CO -0.72 0.16 -0.18 0.93 -0.57 0.00 0.00 179.45 179.06 2day h GLU 120 N 0.24 -0.12 -0.96 3.15 4.39 -0.60 -1.40 114.58 119.28 2day h GLU 120 Ca 0.21 0.01 0.24 0.00 0.34 0.00 0.00 59.36 60.16 2day h GLU 120 Cb 0.25 0.03 -0.18 0.00 -0.10 0.00 0.00 28.75 28.75 2day h GLU 120 CO -0.26 -0.08 -0.03 0.82 -1.16 0.00 0.00 179.01 178.30 2day h ILE 121 N -0.12 0.06 -0.03 3.13 2.04 -0.30 1.72 117.51 124.00 2day h ILE 121 Ca 0.18 -0.01 -0.06 0.00 1.00 0.00 0.00 64.86 65.97 2day h ILE 121 Cb 0.40 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 2day h ILE 121 CO -0.43 0.00 -0.26 -0.07 0.00 0.00 0.00 178.15 177.39 2day h LEU 122 N 0.02 0.06 -2.89 1.44 3.38 -1.26 -2.46 115.31 113.59 2day h LEU 122 Ca 0.55 -0.01 -0.21 0.00 0.09 0.00 0.00 57.88 58.30 2day h LEU 122 Cb 1.07 -0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.69 2day h LEU 122 CO -0.91 0.32 0.27 -0.24 0.09 0.00 0.00 178.44 177.97 2day n SER 123 N -4.21 3.87 -0.04 -0.43 2.88 0.58 -4.69 113.62 111.58 2day n SER 123 Ca -0.02 -2.68 0.00 0.00 -1.33 0.00 0.00 58.87 54.84 2day n SER 123 Cb 0.32 -0.72 0.00 0.00 -0.75 0.00 0.00 64.21 63.06 2day n SER 123 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2day n GLY 124 N 0.00 7.29 3.59 0.46 0.00 -0.93 -5.00 105.19 110.61 2day n GLY 124 Ca 0.23 -2.03 -0.43 0.00 0.00 0.00 0.00 46.02 43.79 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 1.10 3.32 -0.16 1.61 0.04 -1.26 -4.98 135.00 134.67 2day s PRO 125 Ca 0.00 1.24 -0.18 0.00 0.04 0.00 0.00 61.00 62.10 2day s PRO 125 Cb 0.00 -4.18 -0.04 0.00 0.04 0.00 0.00 34.50 30.32 2day s PRO 125 CO 0.00 -1.87 0.47 0.45 0.04 0.00 0.00 177.00 176.08 2day s SER 126 N 5.78 6.60 0.03 6.66 0.15 -1.26 -5.02 113.70 126.64 2day s SER 126 Ca 0.74 0.71 -0.30 0.00 0.70 0.00 0.00 55.95 57.80 2day s SER 126 Cb -0.19 -2.27 -0.09 0.00 -1.71 0.00 0.00 66.02 61.75 2day s SER 126 CO 0.32 -0.06 1.98 -0.44 1.20 0.00 0.00 173.24 176.24 2day s SER 127 N 0.83 6.42 0.00 5.45 0.01 -1.26 -5.25 113.70 119.90 2day s SER 127 Ca 0.24 2.65 0.00 0.00 1.31 0.00 0.00 55.95 60.15 2day s SER 127 Cb -0.15 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.55 2day s SER 127 CO 0.09 -1.08 0.00 0.61 0.41 0.00 0.00 173.24 173.27