#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 0.49 0.37 1.61 7.64 -1.26 -4.80 113.62 117.68 2day n SER 2 Ca 0.00 0.30 -0.19 0.00 1.01 0.00 0.00 58.87 59.99 2day n SER 2 Cb 0.00 -0.93 -0.09 0.00 -1.01 0.00 0.00 64.21 62.17 2day n SER 2 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2day h SER 3 N 11.38 -1.17 0.00 6.43 0.02 -2.11 -3.48 113.55 124.61 2day h SER 3 Ca -0.07 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2day h SER 3 Cb 1.34 0.35 0.00 0.00 0.14 0.00 0.00 62.40 64.23 2day h SER 3 CO 1.30 -0.68 0.00 0.61 -1.14 0.00 0.00 176.83 176.92 2day n GLY 4 N -1.58 1.17 3.55 -3.77 0.00 -1.26 -5.16 105.19 98.14 2day n GLY 4 Ca -0.14 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.25 2day n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2day s SER 5 N 2.00 -1.00 -0.16 1.61 1.04 -1.26 -5.07 113.70 110.85 2day s SER 5 Ca 0.00 1.32 -0.16 0.00 0.48 0.00 0.00 55.95 57.59 2day s SER 5 Cb 0.00 2.12 -0.06 0.00 0.10 0.00 0.00 66.02 68.18 2day s SER 5 CO 0.00 -0.19 -0.32 -0.24 0.98 0.00 0.00 173.24 173.47 2day n SER 6 N 5.33 1.87 -4.37 7.02 2.88 -1.26 -5.07 113.62 120.01 2day n SER 6 Ca -0.11 0.31 -0.19 0.00 -1.33 0.00 0.00 58.87 57.56 2day n SER 6 Cb 0.50 -0.71 -0.10 0.00 -0.75 0.00 0.00 64.21 63.15 2day n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2day s GLY 7 N -4.85 1.83 -0.47 0.46 0.00 -1.26 -5.05 107.32 97.97 2day s GLY 7 Ca -0.27 -1.92 0.03 0.00 0.00 0.00 0.00 44.72 42.56 2day s GLY 7 CO 0.40 -1.70 1.69 -1.84 0.00 0.00 0.00 173.10 171.64 2day n GLU 8 N -0.54 2.76 -4.42 2.90 0.28 -1.26 -4.99 120.64 115.37 2day n GLU 8 Ca -0.02 -3.50 -0.24 0.00 -0.16 0.00 0.00 57.16 53.25 2day n GLU 8 Cb 0.66 -2.20 -0.09 0.00 1.43 0.00 0.00 31.44 31.24 2day n GLU 8 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 2day s GLU 9 N -3.61 1.87 -0.10 3.44 2.02 -1.26 -5.14 118.70 115.92 2day s GLU 9 Ca 0.57 -1.68 0.01 0.00 0.02 0.00 0.00 54.97 53.89 2day s GLU 9 Cb 0.46 -1.88 0.02 0.00 0.10 0.00 0.00 34.13 32.83 2day s GLU 9 CO 0.02 0.32 -0.11 -0.51 0.02 0.00 0.00 175.26 175.01 2day s ASP 10 N -3.57 2.06 -0.27 -0.19 1.11 -1.26 -5.11 116.67 109.44 2day s ASP 10 Ca 0.31 -0.32 -0.02 0.00 0.18 0.00 0.00 52.55 52.70 2day s ASP 10 Cb -0.05 -0.88 0.03 0.00 1.07 0.00 0.00 42.92 43.10 2day s ASP 10 CO 0.17 -0.04 -0.04 0.86 1.18 0.00 0.00 175.17 177.30 2day s TRP 11 N 1.20 3.14 -0.16 4.23 -0.11 -1.26 -4.96 118.94 121.02 2day s TRP 11 Ca -0.04 -1.68 0.29 0.00 1.22 0.00 0.00 56.10 55.89 2day s TRP 11 Cb -0.14 -2.08 0.93 0.00 -1.50 0.00 0.00 33.47 30.69 2day s TRP 11 CO -0.03 -0.76 1.82 -0.24 -4.62 0.00 0.00 176.95 173.13 2day h VAL 12 N 6.27 0.00 0.57 5.86 3.04 -1.98 -3.23 116.25 126.78 2day h VAL 12 Ca -0.28 -0.69 -0.02 0.00 -1.01 0.00 0.00 66.70 64.70 2day h VAL 12 Cb 1.09 1.69 -0.02 0.00 -2.01 0.00 0.00 31.29 32.04 2day h VAL 12 CO 0.56 0.00 -0.50 0.25 -1.01 0.00 0.00 177.57 176.86 2day h LEU 13 N 0.00 -1.36 -0.69 3.16 5.85 -1.93 -0.47 115.31 119.87 2day h LEU 13 Ca 0.00 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2day h LEU 13 Cb 0.71 0.44 0.00 0.00 0.37 0.00 0.00 40.66 42.17 2day h LEU 13 CO 0.00 -0.69 0.00 -0.81 -0.34 0.00 0.00 178.44 176.60 2day n PRO 14 N -5.53 0.19 0.13 5.25 -0.04 -1.24 -2.22 135.00 131.53 2day n PRO 14 Ca -0.13 0.42 0.07 0.00 -0.04 0.00 0.00 63.50 63.82 2day n PRO 14 Cb 0.47 -1.86 0.03 0.00 -0.04 0.00 0.00 33.50 32.11 2day n PRO 14 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2day h SER 15 N 0.00 0.00 0.21 3.54 0.02 -1.41 -3.33 113.55 112.58 2day h SER 15 Ca 0.00 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.60 2day h SER 15 Cb 0.35 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.86 2day h SER 15 CO 0.00 0.27 -2.00 1.21 -1.14 0.00 0.00 176.83 175.17 2day n GLU 16 N -2.99 0.71 0.12 3.45 4.07 -0.25 -4.41 120.64 121.33 2day n GLU 16 Ca -0.00 0.24 -0.15 0.00 -0.06 0.00 0.00 57.16 57.18 2day n GLU 16 Cb 0.66 -1.70 -0.08 0.00 -0.06 0.00 0.00 31.44 30.25 2day n GLU 16 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 2day h VAL 17 N 0.04 0.08 -1.54 6.31 2.07 -1.57 -0.42 116.25 121.21 2day h VAL 17 Ca -0.41 0.00 0.51 0.00 0.82 0.00 0.00 66.70 67.62 2day h VAL 17 Cb 2.03 0.08 -0.13 0.00 -1.52 0.00 0.00 31.29 31.76 2day h VAL 17 CO 0.06 0.00 1.03 1.05 0.02 0.00 0.00 177.57 179.73 2day h GLU 18 N -0.71 0.00 0.16 1.57 4.11 -1.77 1.15 114.58 119.09 2day h GLU 18 Ca 0.01 -0.00 -0.25 0.00 0.07 0.00 0.00 59.36 59.19 2day h GLU 18 Cb 0.72 -0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.00 2day h GLU 18 CO -0.26 0.00 -1.08 0.28 0.07 0.00 0.00 179.01 178.02 2day h VAL 19 N 0.00 1.39 0.24 -1.06 2.07 -1.34 -3.31 116.25 114.24 2day h VAL 19 Ca 0.90 -2.52 -0.01 0.00 0.82 0.00 0.00 66.70 65.90 2day h VAL 19 Cb 3.10 2.98 0.00 0.00 -1.52 0.00 0.00 31.29 35.86 2day h VAL 19 CO -0.35 0.74 -0.12 -0.07 0.02 0.00 0.00 177.57 177.79 2day h LEU 20 N -0.05 -0.28 -0.94 2.57 3.38 0.24 -2.94 115.31 117.30 2day h LEU 20 Ca -0.18 -0.07 0.26 0.00 0.09 0.00 0.00 57.88 57.98 2day h LEU 20 Cb 1.82 0.07 -0.17 0.00 0.09 0.00 0.00 40.66 42.48 2day h LEU 20 CO 0.20 -0.10 0.12 -0.33 0.09 0.00 0.00 178.44 178.42 2day h GLU 21 N -0.44 0.07 -0.97 1.13 4.39 -0.97 0.86 114.58 118.65 2day h GLU 21 Ca -0.03 -0.00 0.20 0.00 0.34 0.00 0.00 59.36 59.87 2day h GLU 21 Cb 0.33 -0.01 -0.11 0.00 -0.10 0.00 0.00 28.75 28.85 2day h GLU 21 CO 0.05 0.04 0.55 1.03 -1.16 0.00 0.00 179.01 179.53 2day h SER 22 N 0.07 0.65 0.00 1.42 0.87 -1.60 1.73 113.55 116.69 2day h SER 22 Ca 0.59 0.12 -0.07 0.00 -1.23 0.00 0.00 61.79 61.20 2day h SER 22 Cb 1.24 0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.20 2day h SER 22 CO -0.82 0.18 -0.48 0.40 -0.53 0.00 0.00 176.83 175.59 2day h ILE 23 N 0.64 0.75 -0.86 2.23 2.04 0.49 -3.37 117.51 119.43 2day h ILE 23 Ca 0.58 -1.70 -0.53 0.00 1.00 0.00 0.00 64.86 64.21 2day h ILE 23 Cb 0.98 1.55 -0.22 0.00 -0.74 0.00 0.00 36.82 38.39 2day h ILE 23 CO -0.43 0.25 0.67 -1.22 0.00 0.00 0.00 178.15 177.43 2day n TYR 24 N -4.60 2.42 -0.34 1.37 4.01 0.77 -4.76 117.16 116.05 2day n TYR 24 Ca -0.14 -2.49 -0.09 0.00 -0.16 0.00 0.00 57.90 55.03 2day n TYR 24 Cb 0.38 -1.23 -0.08 0.00 -0.31 0.00 0.00 39.34 38.10 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 -0.26 -0.85 -0.13 7.72 4.77 0.59 -1.67 117.00 127.16 2day n LEU 25 Ca 0.48 1.45 -0.28 0.00 -0.03 0.00 0.00 56.01 57.64 2day n LEU 25 Cb 0.59 -0.19 -0.10 0.00 -2.33 0.00 0.00 43.42 41.39 2day n LEU 25 CO 0.58 -1.18 -1.41 -0.67 -1.33 0.00 0.00 177.39 173.38 2day n ASP 26 N -4.98 1.90 -0.25 -1.43 2.03 -1.26 -4.52 116.55 108.04 2day n ASP 26 Ca 0.02 0.27 0.08 0.00 0.52 0.00 0.00 54.79 55.68 2day n ASP 26 Cb 0.21 -0.74 0.17 0.00 -0.72 0.00 0.00 41.12 40.04 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 -4.09 -0.06 -4.44 -0.67 1.02 -1.22 -4.21 120.64 106.97 2day n GLU 27 Ca -0.52 1.10 -0.31 0.00 -0.02 0.00 0.00 57.16 57.41 2day n GLU 27 Cb 0.89 -1.70 -0.11 0.00 -0.02 0.00 0.00 31.44 30.49 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 -10.12 2.88 0.02 -4.62 0.20 -0.67 -4.32 118.68 102.06 2day s LEU 28 Ca -0.10 -0.36 0.06 0.00 0.69 0.00 0.00 54.13 54.41 2day s LEU 28 Cb 0.21 -1.69 -0.03 0.00 -0.43 0.00 0.00 46.19 44.24 2day s LEU 28 CO 0.56 0.23 -0.14 -1.58 -0.29 0.00 0.00 176.35 175.13 2day s GLN 29 N -1.76 2.27 -0.05 1.98 2.00 -0.70 -4.64 119.66 118.77 2day s GLN 29 Ca 0.18 -0.87 0.03 0.00 -2.00 0.00 0.00 55.36 52.70 2day s GLN 29 Cb -0.11 -2.30 0.00 0.00 0.80 0.00 0.00 33.01 31.40 2day s GLN 29 CO 0.09 0.57 -0.14 0.08 -0.50 0.00 0.00 175.29 175.39 2day s VAL 30 N -0.91 1.22 -0.50 1.34 1.01 -1.26 -1.84 120.40 119.46 2day s VAL 30 Ca 0.15 -0.58 -0.13 0.00 0.00 0.00 0.00 61.98 61.42 2day s VAL 30 Cb -0.11 -1.08 0.11 0.00 0.00 0.00 0.00 36.38 35.31 2day s VAL 30 CO 0.05 0.36 0.41 -0.63 0.00 0.00 0.00 175.10 175.30 2day s ILE 31 N 0.27 4.83 -0.32 2.22 -1.09 -0.43 -5.03 121.20 121.65 2day s ILE 31 Ca -0.07 -1.49 -0.41 0.00 -2.23 0.00 0.00 60.65 56.44 2day s ILE 31 Cb -0.12 -4.07 -0.17 0.00 -1.58 0.00 0.00 42.46 36.52 2day s ILE 31 CO 0.02 -0.76 1.71 0.29 -1.23 0.00 0.00 174.94 174.98 2day n LYS 32 N 5.11 0.92 -1.60 2.79 4.76 -1.26 -4.15 118.16 124.73 2day n LYS 32 Ca -0.12 0.34 -0.49 0.00 -2.87 0.00 0.00 58.31 55.17 2day n LYS 32 Cb 0.41 -1.98 -0.05 0.00 -1.84 0.00 0.00 35.03 31.56 2day n LYS 32 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2day n GLY 33 N 4.12 1.05 3.37 0.72 0.00 -1.26 -4.85 105.19 108.34 2day n GLY 33 Ca 0.27 0.88 -0.43 0.00 0.00 0.00 0.00 46.02 46.74 2day n GLY 33 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2day n ASN 34 N 8.21 4.84 0.00 1.61 0.23 -1.26 -4.85 115.26 124.04 2day n ASN 34 Ca 0.30 -2.93 0.00 0.00 -0.53 0.00 0.00 54.58 51.41 2day n ASN 34 Cb 0.28 -1.68 0.00 0.00 -2.08 0.00 0.00 39.78 36.30 2day n ASN 34 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2day n GLY 35 N 4.72 0.04 3.77 4.83 0.00 -1.26 -4.98 105.19 112.31 2day n GLY 35 Ca 0.46 -2.07 -0.33 0.00 0.00 0.00 0.00 46.02 44.08 2day n GLY 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2day s ARG 36 N 0.00 2.20 -0.48 1.61 1.81 -1.26 -4.69 118.95 118.14 2day s ARG 36 Ca 0.00 -2.39 0.00 0.00 -1.72 0.00 0.00 55.73 51.62 2day s ARG 36 Cb 0.00 -1.56 0.00 0.00 -0.45 0.00 0.00 34.95 32.94 2day s ARG 36 CO 0.00 -0.38 0.00 0.25 -0.68 0.00 0.00 175.30 174.49 2day n THR 37 N -1.30 -0.16 -5.12 0.02 -2.24 -1.26 -4.89 114.28 99.33 2day n THR 37 Ca -0.18 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.29 2day n THR 37 Cb 0.67 -0.66 -0.17 0.00 -2.10 0.00 0.00 70.33 68.08 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 -1.82 2.82 0.37 3.42 1.04 -1.26 -4.97 113.70 113.30 2day s SER 38 Ca 0.00 -0.49 -0.27 0.00 0.48 0.00 0.00 55.95 55.67 2day s SER 38 Cb 0.00 -1.06 -0.09 0.00 0.10 0.00 0.00 66.02 64.96 2day s SER 38 CO 0.00 0.17 1.20 -2.16 0.98 0.00 0.00 173.24 173.44 2day s PRO 39 N 0.18 4.21 0.49 4.02 0.04 -1.26 -4.83 135.00 137.83 2day s PRO 39 Ca -0.12 1.95 -0.09 0.00 0.04 0.00 0.00 61.00 62.79 2day s PRO 39 Cb -0.16 -2.85 -0.05 0.00 0.04 0.00 0.00 34.50 31.48 2day s PRO 39 CO 0.06 -0.22 0.85 -1.58 0.04 0.00 0.00 177.00 176.14 2day s TRP 40 N -1.30 3.54 -0.06 0.56 0.52 -0.83 -4.94 118.94 116.43 2day s TRP 40 Ca 0.53 1.04 0.05 0.00 0.02 0.00 0.00 56.10 57.74 2day s TRP 40 Cb -0.34 -2.47 -0.01 0.00 -1.15 0.00 0.00 33.47 29.51 2day s TRP 40 CO 0.43 -0.31 -0.22 -2.00 0.02 0.00 0.00 176.95 174.87 2day s GLU 41 N -4.49 2.31 -0.09 4.98 2.12 -1.26 -2.93 118.70 119.34 2day s GLU 41 Ca 0.51 -0.79 -0.03 0.00 0.36 0.00 0.00 54.97 55.02 2day s GLU 41 Cb -0.10 -1.95 0.05 0.00 0.26 0.00 0.00 34.13 32.39 2day s GLU 41 CO 0.41 0.31 0.11 0.42 -0.54 0.00 0.00 175.26 175.97 2day s ILE 42 N -0.03 -0.18 0.21 -3.70 1.01 -1.11 -1.32 121.20 116.08 2day s ILE 42 Ca -0.05 0.28 0.05 0.00 0.00 0.00 0.00 60.65 60.93 2day s ILE 42 Cb -0.13 -0.30 -0.03 0.00 0.01 0.00 0.00 42.46 42.00 2day s ILE 42 CO 0.04 0.07 0.25 -0.31 0.00 0.00 0.00 174.94 174.99 2day s TYR 43 N 2.22 3.29 -0.29 3.97 2.02 -0.77 -0.10 117.35 127.70 2day s TYR 43 Ca 0.04 -0.02 -0.22 0.00 -0.37 0.00 0.00 57.07 56.49 2day s TYR 43 Cb -0.13 -1.52 0.16 0.00 -0.40 0.00 0.00 41.96 40.07 2day s TYR 43 CO -0.06 0.49 1.19 -1.50 -1.57 0.00 0.00 175.55 174.11 2day s ILE 44 N -1.94 0.00 -0.01 2.71 2.07 -0.42 -1.71 121.20 121.90 2day s ILE 44 Ca 0.33 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.56 2day s ILE 44 Cb -0.09 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.46 2day s ILE 44 CO 0.27 0.00 0.13 -0.89 -1.91 0.00 0.00 174.94 172.53 2day s THR 45 N 0.46 5.06 0.04 4.00 2.01 -1.26 0.15 115.64 126.09 2day s THR 45 Ca 0.01 -0.29 0.02 0.00 0.31 0.00 0.00 61.69 61.75 2day s THR 45 Cb -0.04 -3.34 -0.02 0.00 0.01 0.00 0.00 72.50 69.11 2day s THR 45 CO -0.11 0.34 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.32 2day s LEU 46 N -1.81 2.21 0.10 4.42 1.43 -1.14 -4.93 118.68 118.97 2day s LEU 46 Ca 0.25 -0.47 0.04 0.00 -1.03 0.00 0.00 54.13 52.91 2day s LEU 46 Cb -0.12 -0.21 -0.04 0.00 0.03 0.00 0.00 46.19 45.85 2day s LEU 46 CO 0.16 -0.15 -0.11 -1.00 0.23 0.00 0.00 176.35 175.48 2day s HIS 47 N -1.15 1.13 -0.33 0.29 3.76 -1.26 -3.89 115.29 113.83 2day s HIS 47 Ca -0.07 -0.63 -0.29 0.00 -0.15 0.00 0.00 55.06 53.92 2day s HIS 47 Cb -0.09 -0.61 -0.01 0.00 1.11 0.00 0.00 32.58 32.98 2day s HIS 47 CO 0.00 0.03 1.69 -1.25 -0.85 0.00 0.00 174.74 174.36 2day s PRO 48 N -2.77 3.45 -0.13 8.40 0.04 -1.26 -4.81 135.00 137.91 2day s PRO 48 Ca 0.06 1.34 -0.00 0.00 0.04 0.00 0.00 61.00 62.44 2day s PRO 48 Cb -0.03 -4.14 0.10 0.00 0.04 0.00 0.00 34.50 30.46 2day s PRO 48 CO 0.01 -1.72 1.95 0.00 0.04 0.00 0.00 177.00 177.28 2day n ALA 49 N 9.72 4.39 -0.00 8.56 0.00 -1.26 -3.54 120.51 138.38 2day n ALA 49 Ca 0.21 -0.71 0.01 0.00 0.00 0.00 0.00 53.44 52.96 2day n ALA 49 Cb 0.47 -1.16 -0.02 0.00 0.00 0.00 0.00 19.45 18.74 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 0.95 0.00 -3.43 0.00 5.66 -1.26 -4.95 114.28 111.25 2day n THR 50 Ca 0.13 -0.07 -0.43 0.00 -3.05 0.00 0.00 64.05 60.64 2day n THR 50 Cb 0.55 0.43 -0.10 0.00 -1.55 0.00 0.00 70.33 69.66 2day n THR 50 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2day s ALA 51 N -2.20 3.47 -0.18 1.79 0.00 -1.23 -4.92 121.76 118.49 2day s ALA 51 Ca -0.01 -1.61 -0.07 0.00 0.00 0.00 0.00 51.96 50.27 2day s ALA 51 Cb 0.02 -2.91 -0.22 0.00 0.00 0.00 0.00 23.12 20.01 2day s ALA 51 CO 0.12 -1.43 0.15 -0.85 0.00 0.00 0.00 175.76 173.75 2day n GLU 52 N 5.28 0.70 -0.06 0.00 0.28 -1.26 -4.74 120.64 120.85 2day n GLU 52 Ca -0.10 0.27 -0.10 0.00 -0.16 0.00 0.00 57.16 57.07 2day n GLU 52 Cb 0.47 -1.65 -0.05 0.00 1.43 0.00 0.00 31.44 31.65 2day n GLU 52 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2day n ASP 53 N -3.58 2.15 -4.09 -1.84 9.92 -1.26 -4.98 116.55 112.86 2day n ASP 53 Ca -0.37 0.03 -0.49 0.00 -0.53 0.00 0.00 54.79 53.43 2day n ASP 53 Cb 0.98 -0.25 -0.12 0.00 -0.64 0.00 0.00 41.12 41.09 2day n ASP 53 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2day n GLN 54 N -3.12 0.00 -0.07 -1.24 1.13 -1.26 -4.74 117.38 108.08 2day n GLN 54 Ca -0.21 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.72 2day n GLN 54 Cb 0.69 -1.41 -0.05 0.00 0.11 0.00 0.00 30.24 29.57 2day n GLN 54 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 2day n ASP 55 N 8.24 1.80 -0.30 1.08 -0.08 -1.26 -4.62 116.55 121.41 2day n ASP 55 Ca 0.56 0.07 0.22 0.00 -1.51 0.00 0.00 54.79 54.14 2day n ASP 55 Cb -0.01 -0.33 0.42 0.00 2.34 0.00 0.00 41.12 43.54 2day n ASP 55 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 2day n SER 56 N -3.33 0.13 -4.40 1.67 3.41 -1.26 -3.42 113.62 106.42 2day n SER 56 Ca -0.26 1.53 -0.44 0.00 -0.26 0.00 0.00 58.87 59.44 2day n SER 56 Cb 0.72 -0.66 -0.08 0.00 -0.26 0.00 0.00 64.21 63.93 2day n SER 56 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2day s GLN 57 N -5.61 2.99 0.37 4.33 2.00 -1.26 -5.06 119.66 117.42 2day s GLN 57 Ca -0.10 -1.28 0.08 0.00 -2.00 0.00 0.00 55.36 52.06 2day s GLN 57 Cb 0.29 -4.12 -0.02 0.00 0.80 0.00 0.00 33.01 29.96 2day s GLN 57 CO 0.71 -1.02 0.34 1.52 -0.50 0.00 0.00 175.29 176.34 2day s TYR 58 N 1.74 2.82 -0.29 1.67 -0.85 -1.22 -5.01 117.35 116.21 2day s TYR 58 Ca 0.05 -0.39 -0.22 0.00 -0.52 0.00 0.00 57.07 56.00 2day s TYR 58 Cb -0.23 -1.98 0.15 0.00 0.38 0.00 0.00 41.96 40.28 2day s TYR 58 CO 0.07 0.03 1.13 0.54 -1.52 0.00 0.00 175.55 175.80 2day s VAL 59 N -2.38 0.00 -0.28 -3.49 0.11 -1.26 -4.46 120.40 108.64 2day s VAL 59 Ca 0.45 0.00 -0.21 0.00 -2.93 0.00 0.00 61.98 59.28 2day s VAL 59 Cb -0.05 -1.00 0.08 0.00 -1.53 0.00 0.00 36.38 33.88 2day s VAL 59 CO 0.27 0.00 0.75 0.00 -3.33 0.00 0.00 175.10 172.80 2day s PHE 61 N 0.86 0.23 -0.41 0.00 -0.71 -1.25 -2.15 117.98 114.55 2day s PHE 61 Ca -0.04 -0.52 -0.14 0.00 -1.04 0.00 0.00 56.93 55.19 2day s PHE 61 Cb -0.05 -0.17 0.02 0.00 -1.21 0.00 0.00 43.02 41.61 2day s PHE 61 CO -0.08 -0.30 0.29 0.99 -1.34 0.00 0.00 175.22 174.78 2day s THR 62 N -2.21 5.15 -0.26 -4.49 2.01 -1.01 -2.88 115.64 111.95 2day s THR 62 Ca -0.09 -0.71 -0.28 0.00 0.31 0.00 0.00 61.69 60.92 2day s THR 62 Cb -0.04 -3.88 0.01 0.00 0.01 0.00 0.00 72.50 68.60 2day s THR 62 CO -0.03 -0.31 1.01 -0.22 -0.69 0.00 0.00 174.62 174.38 2day s LEU 63 N 1.66 4.05 -0.18 4.42 0.20 0.39 -1.97 118.68 127.25 2day s LEU 63 Ca 0.04 1.21 -0.08 0.00 0.69 0.00 0.00 54.13 55.99 2day s LEU 63 Cb -0.19 -3.48 -0.04 0.00 -0.43 0.00 0.00 46.19 42.05 2day s LEU 63 CO 0.09 -0.71 0.10 -0.69 -0.29 0.00 0.00 176.35 174.86 2day s VAL 64 N 3.28 5.17 -0.43 1.68 1.01 -0.47 -1.30 120.40 129.33 2day s VAL 64 Ca 0.43 0.10 -0.06 0.00 0.00 0.00 0.00 61.98 62.45 2day s VAL 64 Cb -0.14 -3.33 0.11 0.00 0.00 0.00 0.00 36.38 33.02 2day s VAL 64 CO 0.09 0.48 0.25 -0.22 0.00 0.00 0.00 175.10 175.70 2day s LEU 65 N 0.12 5.36 -0.59 3.92 2.96 0.86 -2.77 118.68 128.54 2day s LEU 65 Ca 0.07 -1.93 -0.21 0.00 -0.22 0.00 0.00 54.13 51.85 2day s LEU 65 Cb -0.12 -1.90 0.07 0.00 0.50 0.00 0.00 46.19 44.75 2day s LEU 65 CO -0.00 -0.59 0.80 -1.58 -1.32 0.00 0.00 176.35 173.66 2day s GLN 66 N 1.24 3.12 -0.34 1.98 0.74 -1.14 -2.74 119.66 122.52 2day s GLN 66 Ca 0.07 -0.93 -0.16 0.00 0.05 0.00 0.00 55.36 54.39 2day s GLN 66 Cb -0.24 -4.19 -0.01 0.00 1.10 0.00 0.00 33.01 29.67 2day s GLN 66 CO -0.02 -1.54 0.42 0.08 -0.55 0.00 0.00 175.29 173.67 2day s VAL 67 N 3.26 5.12 0.52 1.34 1.01 -1.15 -1.66 120.40 128.83 2day s VAL 67 Ca 0.18 0.18 -0.09 0.00 0.00 0.00 0.00 61.98 62.25 2day s VAL 67 Cb -0.19 -3.86 0.13 0.00 0.00 0.00 0.00 36.38 32.45 2day s VAL 67 CO 0.10 -0.12 0.46 -0.81 0.00 0.00 0.00 175.10 174.73 2day n PRO 68 N 5.50 -1.92 0.02 2.72 -0.04 -1.26 -1.96 135.00 138.06 2day n PRO 68 Ca -0.08 -0.73 -0.20 0.00 -0.04 0.00 0.00 63.50 62.46 2day n PRO 68 Cb 0.49 -0.69 -0.14 0.00 -0.04 0.00 0.00 33.50 33.13 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 -2.31 -0.01 -0.96 0.55 0.00 -1.93 -3.33 119.26 111.26 2day h ALA 69 Ca -0.17 -0.78 0.17 0.00 0.00 0.00 0.00 54.91 54.12 2day h ALA 69 Cb 0.53 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 18.41 2day h ALA 69 CO 0.11 0.45 0.56 0.93 0.00 0.00 0.00 179.25 181.31 2day h GLU 70 N -0.44 0.74 -3.23 0.00 3.07 -1.94 -3.44 114.58 109.34 2day h GLU 70 Ca -0.17 -0.04 -0.35 0.00 -0.50 0.00 0.00 59.36 58.29 2day h GLU 70 Cb 1.59 -0.17 0.07 0.00 -0.84 0.00 0.00 28.75 29.40 2day h GLU 70 CO 0.10 0.49 -0.35 0.98 -1.40 0.00 0.00 179.01 178.83 2day n TYR 71 N -4.77 -0.50 0.20 4.33 4.19 -1.25 -2.15 117.16 117.21 2day n TYR 71 Ca 0.21 0.47 0.07 0.00 3.31 0.00 0.00 57.90 61.96 2day n TYR 71 Cb 0.50 -1.03 0.43 0.00 0.49 0.00 0.00 39.34 39.73 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 -0.48 2.98 0.13 -1.93 -3.44 132.00 129.70 2day h PRO 72 Ca -0.16 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 65.10 2day h PRO 72 Cb 0.78 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 31.82 2day h PRO 72 CO 0.29 0.31 0.03 0.72 -0.23 0.00 0.00 178.00 179.13 2day n HIS 73 N -3.65 0.33 -4.03 1.56 8.25 -0.91 -4.03 115.22 112.73 2day n HIS 73 Ca -0.01 0.58 -0.33 0.00 -0.26 0.00 0.00 57.72 57.70 2day n HIS 73 Cb 0.43 -0.87 -0.06 0.00 1.12 0.00 0.00 29.99 30.60 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 -5.26 3.20 0.14 -0.41 2.56 -1.25 -4.92 118.70 112.76 2day s GLU 74 Ca -0.06 -0.42 -0.29 0.00 0.00 0.00 0.00 54.97 54.20 2day s GLU 74 Cb 0.14 -2.95 -0.07 0.00 2.00 0.00 0.00 34.13 33.26 2day s GLU 74 CO 0.37 0.66 0.93 0.14 -0.56 0.00 0.00 175.26 176.81 2day s VAL 75 N -1.23 4.41 0.03 3.70 -7.23 -1.26 -3.89 120.40 114.94 2day s VAL 75 Ca 0.24 2.02 -0.30 0.00 -1.81 0.00 0.00 61.98 62.13 2day s VAL 75 Cb -0.12 -4.30 -0.06 0.00 0.56 0.00 0.00 36.38 32.46 2day s VAL 75 CO 0.15 0.38 1.42 -2.16 -0.31 0.00 0.00 175.10 174.58 2day s PRO 76 N -0.35 4.29 -0.25 4.82 0.04 -1.26 -4.80 135.00 137.48 2day s PRO 76 Ca 0.44 2.02 -0.29 0.00 0.04 0.00 0.00 61.00 63.22 2day s PRO 76 Cb -0.24 -3.50 -0.03 0.00 0.04 0.00 0.00 34.50 30.78 2day s PRO 76 CO 0.30 -0.55 1.72 -0.65 0.04 0.00 0.00 177.00 177.85 2day s GLN 77 N 2.10 3.62 -0.13 4.56 -1.52 -0.66 -4.84 119.66 122.78 2day s GLN 77 Ca 0.65 1.63 -0.25 0.00 -1.95 0.00 0.00 55.36 55.44 2day s GLN 77 Cb -0.33 -4.11 -0.02 0.00 -0.22 0.00 0.00 33.01 28.32 2day s GLN 77 CO 0.28 -1.51 0.80 0.42 -0.25 0.00 0.00 175.29 175.02 2day s ILE 78 N 5.90 4.93 0.07 1.08 1.09 -1.26 -2.89 121.20 130.11 2day s ILE 78 Ca 0.76 1.60 0.02 0.00 -1.10 0.00 0.00 60.65 61.93 2day s ILE 78 Cb -0.25 -4.12 -0.03 0.00 -1.06 0.00 0.00 42.46 37.00 2day s ILE 78 CO 0.32 0.10 -0.08 -0.44 -0.10 0.00 0.00 174.94 174.74 2day s SER 79 N 1.06 1.04 -0.07 3.58 0.01 -1.11 -5.01 113.70 113.19 2day s SER 79 Ca 0.39 -0.74 0.05 0.00 1.31 0.00 0.00 55.95 56.95 2day s SER 79 Cb -0.17 0.05 -0.00 0.00 0.21 0.00 0.00 66.02 66.11 2day s SER 79 CO 0.15 -0.30 -0.22 -0.63 0.41 0.00 0.00 173.24 172.65 2day s ILE 80 N -2.27 1.87 0.27 1.44 1.01 -1.26 -1.37 121.20 120.88 2day s ILE 80 Ca -0.01 -0.94 0.11 0.00 0.00 0.00 0.00 60.65 59.82 2day s ILE 80 Cb -0.04 -1.61 -0.05 0.00 0.01 0.00 0.00 42.46 40.78 2day s ILE 80 CO -0.01 0.52 -0.17 -0.13 0.00 0.00 0.00 174.94 175.15 2day s ARG 81 N 0.14 1.79 -1.52 2.79 3.00 -0.83 -4.74 118.95 119.57 2day s ARG 81 Ca -0.11 -1.67 -0.01 0.00 0.00 0.00 0.00 55.73 53.95 2day s ARG 81 Cb -0.15 -1.86 0.01 0.00 0.00 0.00 0.00 34.95 32.94 2day s ARG 81 CO 0.05 0.35 0.12 0.27 0.00 0.00 0.00 175.30 176.09 2day n ASN 82 N -0.57 0.56 -4.56 0.23 0.23 -1.26 -2.40 115.26 107.49 2day n ASN 82 Ca -0.06 -1.21 -0.31 0.00 -0.53 0.00 0.00 54.58 52.47 2day n ASN 82 Cb 0.59 -1.96 -0.04 0.00 -2.08 0.00 0.00 39.78 36.29 2day n ASN 82 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 2day s PRO 83 N -7.18 2.57 0.06 -0.53 0.04 -1.26 -4.33 135.00 124.37 2day s PRO 83 Ca 0.03 0.04 0.04 0.00 0.04 0.00 0.00 61.00 61.14 2day s PRO 83 Cb -0.01 -4.82 -0.04 0.00 0.04 0.00 0.00 34.50 29.67 2day s PRO 83 CO 0.97 -3.15 0.02 0.50 0.04 0.00 0.00 177.00 175.38 2day s ARG 84 N 7.04 2.68 0.00 4.56 3.52 -0.92 -4.54 118.95 131.29 2day s ARG 84 Ca 0.69 -0.75 0.00 0.00 -0.13 0.00 0.00 55.73 55.54 2day s ARG 84 Cb -0.09 -2.61 0.00 0.00 -1.56 0.00 0.00 34.95 30.69 2day s ARG 84 CO 0.07 0.57 0.00 0.41 -0.81 0.00 0.00 175.30 175.54 2day n GLY 85 N 0.76 2.26 4.01 8.12 0.00 -1.26 -1.74 105.19 117.34 2day n GLY 85 Ca -0.11 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.46 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 3.08 0.18 0.99 1.43 -1.26 -4.89 118.68 118.20 2day s LEU 86 Ca 0.00 -0.54 0.10 0.00 -1.03 0.00 0.00 54.13 52.66 2day s LEU 86 Cb 0.00 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.26 2day s LEU 86 CO 0.00 -1.57 -0.22 -0.94 0.23 0.00 0.00 176.35 173.85 2day s SER 87 N -4.68 3.14 0.33 2.29 1.04 -1.26 -4.95 113.70 109.61 2day s SER 87 Ca 0.64 -0.86 0.09 0.00 0.48 0.00 0.00 55.95 56.29 2day s SER 87 Cb -0.06 -0.22 0.96 0.00 0.10 0.00 0.00 66.02 66.80 2day s SER 87 CO 0.41 0.06 1.59 -0.78 0.98 0.00 0.00 173.24 175.51 2day h ASP 88 N 3.23 -0.07 0.03 7.02 1.82 -1.98 0.48 116.42 126.94 2day h ASP 88 Ca -0.45 0.25 0.00 0.00 -0.39 0.00 0.00 57.03 56.45 2day h ASP 88 Cb 1.21 0.36 -0.00 0.00 0.68 0.00 0.00 39.33 41.57 2day h ASP 88 CO 0.49 -0.33 -0.02 -0.33 -1.61 0.00 0.00 179.24 177.44 2day h GLU 89 N 0.06 -0.05 0.71 0.28 5.08 -2.00 -2.28 114.58 116.39 2day h GLU 89 Ca 0.68 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 59.01 2day h GLU 89 Cb 1.56 0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.83 2day h GLU 89 CO -0.81 -0.03 -0.34 1.96 -1.00 0.00 0.00 179.01 178.79 2day h GLN 90 N -0.05 -0.92 -0.93 2.33 4.20 -0.62 -2.55 115.11 116.58 2day h GLN 90 Ca -0.00 0.06 0.15 0.00 0.06 0.00 0.00 58.65 58.92 2day h GLN 90 Cb 0.04 0.21 -0.15 0.00 0.30 0.00 0.00 27.48 27.88 2day h GLN 90 CO -0.00 -0.60 -0.34 -0.89 -0.67 0.00 0.00 178.83 176.33 2day n ILE 91 N -5.42 -0.47 0.20 2.54 5.41 0.73 -0.33 119.36 122.02 2day n ILE 91 Ca -0.12 2.17 -0.15 0.00 1.00 0.00 0.00 62.75 65.65 2day n ILE 91 Cb 0.38 -2.88 -0.07 0.00 -0.71 0.00 0.00 39.64 36.36 2day n ILE 91 CO 0.00 0.00 0.00 -0.74 0.00 0.00 0.00 176.55 175.81 2day h HIS 92 N 0.00 -0.76 -0.81 1.39 2.76 -1.42 -2.68 115.15 113.62 2day h HIS 92 Ca 0.34 0.00 0.18 0.00 -2.20 0.00 0.00 60.37 58.69 2day h HIS 92 Cb 0.58 0.30 -0.15 0.00 1.55 0.00 0.00 27.41 29.68 2day h HIS 92 CO -0.80 -0.42 -0.11 1.15 -1.30 0.00 0.00 177.93 176.46 2day h THR 93 N -0.61 0.23 -0.73 6.26 2.02 -0.23 0.29 112.91 120.12 2day h THR 93 Ca -0.01 -0.01 0.15 0.00 0.77 0.00 0.00 66.41 67.30 2day h THR 93 Cb 0.56 0.19 -0.10 0.00 -1.74 0.00 0.00 68.15 67.06 2day h THR 93 CO -0.05 0.01 0.25 0.40 0.37 0.00 0.00 175.52 176.49 2day h ILE 94 N 0.03 0.61 0.26 3.11 2.04 -0.90 -1.87 117.51 120.79 2day h ILE 94 Ca 0.42 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 66.14 2day h ILE 94 Cb 0.70 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.99 2day h ILE 94 CO -0.78 0.07 -0.12 -0.07 0.00 0.00 0.00 178.15 177.24 2day h LEU 95 N 0.37 -0.29 -0.90 1.44 3.38 -0.33 -2.88 115.31 116.09 2day h LEU 95 Ca 0.41 -0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.45 2day h LEU 95 Cb 0.65 0.08 -0.13 0.00 0.09 0.00 0.00 40.66 41.35 2day h LEU 95 CO -0.44 -0.16 -0.52 1.56 0.09 0.00 0.00 178.44 178.98 2day h GLN 96 N -0.40 -0.06 0.00 1.13 1.08 -0.65 0.21 115.11 116.42 2day h GLN 96 Ca -0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 2day h GLN 96 Cb 0.31 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.75 2day h GLN 96 CO 0.06 -0.04 0.00 0.28 -0.95 0.00 0.00 178.83 178.18 2day n VAL 97 N -5.34 0.00 -0.34 -0.54 0.31 -1.05 -2.72 118.33 108.65 2day n VAL 97 Ca 0.04 1.31 0.01 0.00 -0.01 0.00 0.00 64.34 65.69 2day n VAL 97 Cb 0.32 -2.11 0.07 0.00 -0.91 0.00 0.00 33.84 31.20 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 -1.73 -0.49 -0.25 7.52 4.77 -1.03 0.21 117.00 125.99 2day n LEU 98 Ca 0.00 1.58 0.14 0.00 -0.03 0.00 0.00 56.01 57.69 2day n LEU 98 Cb 0.00 -0.40 0.26 0.00 -2.33 0.00 0.00 43.42 40.95 2day n LEU 98 CO 0.00 -1.45 0.63 0.61 -1.33 0.00 0.00 177.39 175.85 2day n GLY 99 N -1.48 -0.92 0.27 -0.72 0.00 0.72 0.06 105.19 103.12 2day n GLY 99 Ca 0.11 0.70 -0.13 0.00 0.00 0.00 0.00 46.02 46.71 2day n GLY 99 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2day h HIS 100 N 0.00 -0.56 -0.97 1.61 -0.00 -0.21 -3.16 115.15 111.85 2day h HIS 100 Ca 0.49 -0.01 0.32 0.00 -0.00 0.00 0.00 60.37 61.16 2day h HIS 100 Cb 1.08 0.19 -0.16 0.00 -0.00 0.00 0.00 27.41 28.51 2day h HIS 100 CO -0.31 -0.24 0.42 0.28 -0.00 0.00 0.00 177.93 178.08 2day h VAL 101 N -0.98 0.20 -0.25 5.26 2.07 -0.32 0.67 116.25 122.90 2day h VAL 101 Ca -0.06 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.45 2day h VAL 101 Cb 0.58 -0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.27 2day h VAL 101 CO 0.10 0.03 -0.42 0.00 0.02 0.00 0.00 177.57 177.31 2day h ALA 102 N 1.89 -0.51 -0.43 1.67 0.00 -1.18 -1.46 119.26 119.24 2day h ALA 102 Ca 0.70 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.58 2day h ALA 102 Cb 1.63 0.82 -0.02 0.00 0.00 0.00 0.00 17.79 20.22 2day h ALA 102 CO -0.70 -0.89 0.06 0.87 0.00 0.00 0.00 179.25 178.59 2day h LYS 103 N -0.41 0.72 -0.21 0.00 1.57 -0.99 -2.47 116.57 114.78 2day h LYS 103 Ca 0.10 -0.20 0.06 0.00 -1.87 0.00 0.00 60.65 58.74 2day h LYS 103 Cb 0.60 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 2day h LYS 103 CO -0.47 0.76 0.48 0.00 -0.57 0.00 0.00 179.45 179.65 2day h ALA 104 N 0.93 1.77 -1.02 3.86 0.00 -0.47 0.10 119.26 124.44 2day h ALA 104 Ca 0.13 -0.01 -0.57 0.00 0.00 0.00 0.00 54.91 54.46 2day h ALA 104 Cb 0.40 0.02 -0.42 0.00 0.00 0.00 0.00 17.79 17.78 2day h ALA 104 CO 0.01 -0.59 -0.73 0.41 0.00 0.00 0.00 179.25 178.36 2day n GLY 105 N -1.37 6.25 3.87 0.00 0.00 -0.62 -5.05 105.19 108.26 2day n GLY 105 Ca 0.03 -2.69 -0.31 0.00 0.00 0.00 0.00 46.02 43.04 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 -3.59 4.03 0.00 0.99 1.43 0.02 -4.07 118.68 117.50 2day s LEU 106 Ca 0.50 1.08 0.00 0.00 -1.03 0.00 0.00 54.13 54.69 2day s LEU 106 Cb 0.41 -3.90 0.00 0.00 0.03 0.00 0.00 46.19 42.73 2day s LEU 106 CO -0.05 -0.22 0.00 0.61 0.23 0.00 0.00 176.35 176.93 2day n GLY 107 N -0.60 3.07 3.31 -3.19 0.00 -1.26 -4.99 105.19 101.53 2day n GLY 107 Ca 0.02 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.27 0.43 -0.05 2.61 -4.23 -1.26 -4.95 115.64 105.92 2day s THR 108 Ca 0.00 -2.00 -0.38 0.00 -1.18 0.00 0.00 61.69 58.13 2day s THR 108 Cb 0.00 -2.59 -0.17 0.00 1.34 0.00 0.00 72.50 71.09 2day s THR 108 CO 0.00 0.00 1.45 0.00 -0.54 0.00 0.00 174.62 175.53 2day n ALA 109 N -0.48 -0.95 0.00 3.99 0.00 -1.26 -4.84 120.51 116.98 2day n ALA 109 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.93 2day n ALA 109 Cb 0.66 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 18.01 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 3.38 1.98 -0.26 0.00 3.85 -1.26 -4.80 117.12 120.01 2day n MET 110 Ca 0.21 0.00 0.04 0.00 -1.00 0.00 0.00 57.70 56.95 2day n MET 110 Cb 0.16 -0.86 0.09 0.00 -1.05 0.00 0.00 33.22 31.56 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 -1.77 -0.27 0.19 3.17 4.77 -1.26 0.50 117.00 122.33 2day n LEU 111 Ca 0.00 1.22 -0.16 0.00 -0.03 0.00 0.00 56.01 57.04 2day n LEU 111 Cb 0.36 -0.36 -0.08 0.00 -2.33 0.00 0.00 43.42 41.00 2day n LEU 111 CO 0.00 -1.17 0.57 0.22 -1.33 0.00 0.00 177.39 175.69 2day h TYR 112 N 0.00 -1.22 0.21 -1.77 3.20 -1.98 -1.22 116.97 114.18 2day h TYR 112 Ca 0.33 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.22 2day h TYR 112 Cb 0.51 0.50 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 2day h TYR 112 CO -0.55 -0.57 -0.17 0.93 -1.64 0.00 0.00 178.16 176.16 2day h GLU 113 N -0.78 -0.35 -0.82 1.82 5.08 -0.26 -0.44 114.58 118.82 2day h GLU 113 Ca -0.01 0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.52 2day h GLU 113 Cb 0.74 0.08 -0.15 0.00 0.50 0.00 0.00 28.75 29.92 2day h GLU 113 CO -0.16 -0.24 -0.24 1.28 -1.00 0.00 0.00 179.01 178.66 2day n LEU 114 N -3.32 -0.36 -0.02 1.33 4.77 -0.15 0.97 117.00 120.21 2day n LEU 114 Ca -0.04 1.42 -0.11 0.00 -0.03 0.00 0.00 56.01 57.25 2day n LEU 114 Cb 0.16 -0.40 -0.05 0.00 -2.33 0.00 0.00 43.42 40.80 2day n LEU 114 CO 0.10 -1.34 0.91 0.40 -1.33 0.00 0.00 177.39 176.13 2day h ILE 115 N 0.00 1.06 0.09 -0.08 2.04 -1.01 -2.74 117.51 116.87 2day h ILE 115 Ca 0.36 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 66.08 2day h ILE 115 Cb 0.57 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.54 2day h ILE 115 CO -0.84 0.06 -0.25 -0.33 0.00 0.00 0.00 178.15 176.79 2day h GLU 116 N 0.16 -0.37 -0.98 2.37 4.39 0.23 -2.00 114.58 118.40 2day h GLU 116 Ca 0.05 0.02 0.33 0.00 0.34 0.00 0.00 59.36 60.10 2day h GLU 116 Cb 0.02 0.08 -0.17 0.00 -0.10 0.00 0.00 28.75 28.58 2day h GLU 116 CO -0.01 -0.24 0.31 -0.22 -1.16 0.00 0.00 179.01 177.68 2day h LYS 117 N -0.38 0.07 -0.83 2.33 1.63 -1.21 0.10 116.57 118.28 2day h LYS 117 Ca -0.01 -0.00 0.23 0.00 -0.85 0.00 0.00 60.65 60.02 2day h LYS 117 Cb 0.37 -0.02 -0.15 0.00 -0.60 0.00 0.00 32.23 31.83 2day h LYS 117 CO -0.11 0.05 0.02 0.41 -3.45 0.00 0.00 179.45 176.36 2day n GLY 118 N -1.37 -1.13 0.34 5.01 0.00 -0.75 -0.67 105.19 106.63 2day n GLY 118 Ca 0.29 0.81 -0.13 0.00 0.00 0.00 0.00 46.02 47.00 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 -0.78 -0.88 1.61 1.57 -0.87 -3.25 116.57 113.96 2day h LYS 119 Ca 0.51 0.05 0.16 0.00 -1.87 0.00 0.00 60.65 59.50 2day h LYS 119 Cb 1.05 0.18 -0.16 0.00 0.08 0.00 0.00 32.23 33.38 2day h LYS 119 CO -0.78 -0.51 -0.27 0.39 -0.57 0.00 0.00 179.45 177.71 2day n GLU 120 N -5.32 -0.13 -0.08 3.15 -0.58 0.16 -0.88 120.64 116.95 2day n GLU 120 Ca -0.10 1.36 -0.06 0.00 -0.42 0.00 0.00 57.16 57.93 2day n GLU 120 Cb 0.33 -2.03 -0.05 0.00 -0.57 0.00 0.00 31.44 29.12 2day n GLU 120 CO 0.00 0.00 0.00 0.82 -0.48 0.00 0.00 177.13 177.47 2day h ILE 121 N 0.00 0.00 -0.94 -3.67 2.04 -1.33 -1.22 117.51 112.40 2day h ILE 121 Ca 0.37 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.41 2day h ILE 121 Cb 0.59 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.50 2day h ILE 121 CO -0.89 0.00 -0.28 -0.07 0.00 0.00 0.00 178.15 176.91 2day h LEU 122 N -0.16 -1.04 -9.49 1.44 3.38 -1.05 -3.38 115.31 105.00 2day h LEU 122 Ca 0.04 0.29 -0.53 0.00 0.09 0.00 0.00 57.88 57.76 2day h LEU 122 Cb 0.27 0.63 0.01 0.00 0.09 0.00 0.00 40.66 41.66 2day h LEU 122 CO -0.30 -0.31 0.74 -0.55 0.09 0.00 0.00 178.44 178.11 2day s SER 123 N -5.28 6.85 0.00 -0.43 0.15 -0.46 -4.67 113.70 109.86 2day s SER 123 Ca -0.15 2.24 0.00 0.00 0.70 0.00 0.00 55.95 58.75 2day s SER 123 Cb 0.24 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.97 2day s SER 123 CO 0.75 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 175.15 2day n GLY 124 N 3.52 0.95 0.00 9.45 0.00 -1.26 -4.88 105.19 112.97 2day n GLY 124 Ca 0.12 -0.78 0.07 0.00 0.00 0.00 0.00 46.02 45.43 2day n GLY 124 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2day n PRO 125 N 0.57 0.49 -1.43 1.61 -0.04 -1.26 -4.87 135.00 130.08 2day n PRO 125 Ca 0.00 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 63.03 2day n PRO 125 Cb 0.00 -1.46 -0.00 0.00 -0.04 0.00 0.00 33.50 32.00 2day n PRO 125 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2day n SER 126 N -0.96 -1.14 -0.05 3.54 7.64 -1.26 -4.94 113.62 116.45 2day n SER 126 Ca 0.11 0.94 -0.01 0.00 1.01 0.00 0.00 58.87 60.92 2day n SER 126 Cb 0.05 -1.06 -0.00 0.00 -1.01 0.00 0.00 64.21 62.18 2day n SER 126 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2day h SER 127 N 0.82 0.00 0.00 6.43 0.02 -2.05 -3.54 113.55 115.24 2day h SER 127 Ca -0.38 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 2day h SER 127 Cb 1.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.95 2day h SER 127 CO 0.52 0.55 0.00 0.61 -1.14 0.00 0.00 176.83 177.37