#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 0.02 0.29 1.61 0.01 -1.26 -5.15 113.70 109.22 2day s SER 2 Ca 0.00 0.31 -0.16 0.00 1.31 0.00 0.00 55.95 57.41 2day s SER 2 Cb 0.00 0.21 0.02 0.00 0.21 0.00 0.00 66.02 66.45 2day s SER 2 CO 0.00 -0.16 0.63 -0.44 0.41 0.00 0.00 173.24 173.68 2day s SER 3 N 1.35 -0.09 0.00 2.44 0.01 -1.26 -5.15 113.70 111.01 2day s SER 3 Ca -0.07 -0.85 0.00 0.00 1.31 0.00 0.00 55.95 56.33 2day s SER 3 Cb -0.12 0.70 0.00 0.00 0.21 0.00 0.00 66.02 66.81 2day s SER 3 CO -0.06 -1.33 0.00 0.61 0.41 0.00 0.00 173.24 172.87 2day n GLY 4 N -0.45 2.92 3.45 3.44 0.00 -1.26 -5.17 105.19 108.12 2day n GLY 4 Ca -0.04 -1.17 -0.17 0.00 0.00 0.00 0.00 46.02 44.65 2day n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2day s SER 5 N 0.00 -0.55 -0.21 1.61 0.01 -1.26 -5.18 113.70 108.12 2day s SER 5 Ca 0.00 0.55 -0.29 0.00 1.31 0.00 0.00 55.95 57.52 2day s SER 5 Cb 0.00 0.49 0.15 0.00 0.21 0.00 0.00 66.02 66.87 2day s SER 5 CO 0.00 -0.59 1.12 -0.55 0.41 0.00 0.00 173.24 173.63 2day s SER 6 N -1.28 -0.27 0.00 2.44 0.15 -1.26 -5.18 113.70 108.30 2day s SER 6 Ca -0.11 0.32 0.00 0.00 0.70 0.00 0.00 55.95 56.86 2day s SER 6 Cb -0.01 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.56 2day s SER 6 CO 0.08 -0.23 0.00 0.61 1.20 0.00 0.00 173.24 174.90 2day n GLY 7 N 0.80 0.43 3.80 9.45 0.00 -1.26 -5.10 105.19 113.31 2day n GLY 7 Ca -0.08 -1.75 -0.38 0.00 0.00 0.00 0.00 46.02 43.82 2day n GLY 7 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2day s GLU 8 N -2.00 4.10 -0.50 1.61 2.56 -1.26 -5.05 118.70 118.17 2day s GLU 8 Ca 0.00 0.48 -0.19 0.00 0.00 0.00 0.00 54.97 55.27 2day s GLU 8 Cb 0.00 -3.29 0.06 0.00 2.00 0.00 0.00 34.13 32.90 2day s GLU 8 CO 0.00 0.52 0.59 -1.21 -0.56 0.00 0.00 175.26 174.60 2day s GLU 9 N -0.58 3.10 0.23 4.30 8.01 -1.26 -5.05 118.70 127.46 2day s GLU 9 Ca 0.25 -0.95 0.07 0.00 0.01 0.00 0.00 54.97 54.35 2day s GLU 9 Cb -0.17 -4.10 -0.04 0.00 -4.31 0.00 0.00 34.13 25.51 2day s GLU 9 CO 0.13 -1.19 0.11 0.34 0.01 0.00 0.00 175.26 174.66 2day s ASP 10 N 2.67 5.17 -0.30 -0.19 2.15 -1.26 -5.12 116.67 119.78 2day s ASP 10 Ca 0.13 -0.35 -0.07 0.00 0.43 0.00 0.00 52.55 52.69 2day s ASP 10 Cb -0.20 -1.22 0.16 0.00 -0.30 0.00 0.00 42.92 41.37 2day s ASP 10 CO 0.11 0.01 0.70 0.86 -0.17 0.00 0.00 175.17 176.68 2day s TRP 11 N -2.05 -1.32 0.20 -5.34 -0.11 -1.26 -5.03 118.94 104.02 2day s TRP 11 Ca 0.31 1.83 -0.01 0.00 1.22 0.00 0.00 56.10 59.45 2day s TRP 11 Cb -0.08 0.62 0.14 0.00 -1.50 0.00 0.00 33.47 32.65 2day s TRP 11 CO 0.22 -0.69 1.51 -0.24 -4.62 0.00 0.00 176.95 173.13 2day h VAL 12 N 5.90 1.34 -0.86 5.86 3.04 -1.98 -3.19 116.25 126.36 2day h VAL 12 Ca -0.19 -1.86 0.08 0.00 -1.01 0.00 0.00 66.70 63.71 2day h VAL 12 Cb 1.13 1.85 -0.11 0.00 -2.01 0.00 0.00 31.29 32.16 2day h VAL 12 CO 0.15 0.57 -0.57 0.25 -1.01 0.00 0.00 177.57 176.96 2day h LEU 13 N 0.36 -2.06 -1.00 3.16 5.85 -1.96 0.82 115.31 120.47 2day h LEU 13 Ca 0.00 0.31 0.00 0.00 0.84 0.00 0.00 57.88 59.03 2day h LEU 13 Cb 1.12 0.90 0.00 0.00 0.37 0.00 0.00 40.66 43.05 2day h LEU 13 CO 0.10 -0.26 0.00 1.55 -0.34 0.00 0.00 178.44 179.49 2day h PRO 14 N -0.08 0.00 0.18 5.25 0.13 -2.01 -2.49 132.00 132.98 2day h PRO 14 Ca 0.14 0.00 -0.30 0.00 -0.87 0.00 0.00 66.00 64.97 2day h PRO 14 Cb 0.44 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.59 2day h PRO 14 CO -0.85 0.00 -1.34 1.03 -0.23 0.00 0.00 178.00 176.61 2day h SER 15 N 0.00 0.63 0.02 1.44 0.87 0.46 -3.30 113.55 113.67 2day h SER 15 Ca 0.00 -0.67 -0.11 0.00 -1.23 0.00 0.00 61.79 59.78 2day h SER 15 Cb 0.40 -0.21 0.01 0.00 -0.44 0.00 0.00 62.40 62.17 2day h SER 15 CO 0.00 1.52 -0.46 -0.08 -0.53 0.00 0.00 176.83 177.27 2day h GLU 16 N 0.12 0.27 -0.84 2.24 4.57 -0.21 -3.32 114.58 117.41 2day h GLU 16 Ca -0.19 -0.32 0.19 0.00 -1.18 0.00 0.00 59.36 57.86 2day h GLU 16 Cb 2.05 0.10 -0.15 0.00 -0.16 0.00 0.00 28.75 30.58 2day h GLU 16 CO 0.24 1.05 -0.07 0.28 -1.18 0.00 0.00 179.01 179.33 2day h VAL 17 N -0.37 0.20 -1.09 0.32 2.07 -1.59 0.76 116.25 116.55 2day h VAL 17 Ca -0.06 -0.02 0.30 0.00 0.82 0.00 0.00 66.70 67.74 2day h VAL 17 Cb 1.23 0.15 -0.09 0.00 -1.52 0.00 0.00 31.29 31.07 2day h VAL 17 CO 0.09 0.01 0.72 -0.33 0.02 0.00 0.00 177.57 178.08 2day h GLU 18 N 0.04 0.28 0.24 1.57 5.08 -1.66 0.19 114.58 120.33 2day h GLU 18 Ca 0.45 -0.02 -0.34 0.00 -1.00 0.00 0.00 59.36 58.45 2day h GLU 18 Cb 0.79 -0.06 0.03 0.00 0.50 0.00 0.00 28.75 30.01 2day h GLU 18 CO -0.80 0.19 -1.54 0.28 -1.00 0.00 0.00 179.01 176.13 2day h VAL 19 N 0.29 1.21 0.22 3.13 2.07 0.32 -3.33 116.25 120.15 2day h VAL 19 Ca 0.61 -2.67 -0.01 0.00 0.82 0.00 0.00 66.70 65.45 2day h VAL 19 Cb 1.74 2.99 0.00 0.00 -1.52 0.00 0.00 31.29 34.50 2day h VAL 19 CO -0.25 0.82 -0.10 -0.07 0.02 0.00 0.00 177.57 177.99 2day h LEU 20 N 0.14 -0.24 -0.86 2.57 3.38 0.37 -2.98 115.31 117.69 2day h LEU 20 Ca -0.28 -0.03 0.17 0.00 0.09 0.00 0.00 57.88 57.83 2day h LEU 20 Cb 2.16 0.06 -0.16 0.00 0.09 0.00 0.00 40.66 42.81 2day h LEU 20 CO 0.26 -0.13 -0.24 -0.33 0.09 0.00 0.00 178.44 178.09 2day h GLU 21 N -0.34 -0.01 -1.11 1.13 5.08 -0.93 0.73 114.58 119.13 2day h GLU 21 Ca -0.03 0.00 0.36 0.00 -1.00 0.00 0.00 59.36 58.69 2day h GLU 21 Cb 0.26 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.38 2day h GLU 21 CO 0.05 -0.01 0.67 1.03 -1.00 0.00 0.00 179.01 179.76 2day h SER 22 N -0.01 0.40 0.00 1.42 0.87 -1.63 1.75 113.55 116.35 2day h SER 22 Ca 0.40 0.16 -0.13 0.00 -1.23 0.00 0.00 61.79 61.00 2day h SER 22 Cb 0.63 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.69 2day h SER 22 CO -0.89 -0.14 -0.84 0.40 -0.53 0.00 0.00 176.83 174.83 2day h ILE 23 N 0.23 0.66 -1.21 2.23 2.04 0.22 -3.38 117.51 118.29 2day h ILE 23 Ca 0.75 -1.76 -0.62 0.00 1.00 0.00 0.00 64.86 64.23 2day h ILE 23 Cb 1.98 1.51 -0.24 0.00 -0.74 0.00 0.00 36.82 39.33 2day h ILE 23 CO -0.51 0.22 0.78 -1.22 0.00 0.00 0.00 178.15 177.43 2day n TYR 24 N -4.53 2.63 -0.32 1.37 4.01 0.63 -4.79 117.16 116.17 2day n TYR 24 Ca -0.21 -2.48 -0.08 0.00 -0.16 0.00 0.00 57.90 54.97 2day n TYR 24 Cb 0.49 -1.28 -0.07 0.00 -0.31 0.00 0.00 39.34 38.17 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 -0.32 -0.79 -0.08 7.72 4.77 0.59 -1.87 117.00 127.02 2day n LEU 25 Ca 0.53 1.34 -0.11 0.00 -0.03 0.00 0.00 56.01 57.74 2day n LEU 25 Cb 0.50 -0.18 -0.08 0.00 -2.33 0.00 0.00 43.42 41.33 2day n LEU 25 CO 0.57 -1.10 -1.03 -0.67 -1.33 0.00 0.00 177.39 173.83 2day n ASP 26 N -4.95 2.58 -0.33 -1.43 2.03 -1.26 -4.57 116.55 108.62 2day n ASP 26 Ca 0.02 -0.08 0.22 0.00 0.52 0.00 0.00 54.79 55.47 2day n ASP 26 Cb 0.20 -0.13 0.43 0.00 -0.72 0.00 0.00 41.12 40.90 2day n ASP 26 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2day h GLU 27 N 0.00 0.04 -6.12 -0.67 4.39 -1.88 -3.37 114.58 106.98 2day h GLU 27 Ca -0.37 -0.00 -0.69 0.00 0.34 0.00 0.00 59.36 58.63 2day h GLU 27 Cb 1.61 -0.01 -0.30 0.00 -0.10 0.00 0.00 28.75 29.95 2day h GLU 27 CO -0.05 0.02 -0.87 -1.17 -1.16 0.00 0.00 179.01 175.79 2day s LEU 28 N -10.74 2.17 -0.00 1.33 0.20 -0.78 -4.07 118.68 106.79 2day s LEU 28 Ca -0.11 -0.46 0.01 0.00 0.69 0.00 0.00 54.13 54.26 2day s LEU 28 Cb 0.31 -1.40 -0.04 0.00 -0.43 0.00 0.00 46.19 44.64 2day s LEU 28 CO 0.78 0.26 0.01 -1.10 -0.29 0.00 0.00 176.35 176.01 2day s GLN 29 N -0.27 2.82 -0.05 1.98 -1.52 -0.78 -4.68 119.66 117.15 2day s GLN 29 Ca -0.00 -0.60 0.00 0.00 -1.95 0.00 0.00 55.36 52.81 2day s GLN 29 Cb -0.13 -2.69 0.02 0.00 -0.22 0.00 0.00 33.01 30.00 2day s GLN 29 CO 0.03 0.63 -0.03 0.08 -0.25 0.00 0.00 175.29 175.74 2day s VAL 30 N -1.10 0.52 -0.77 1.09 1.01 -1.26 -1.93 120.40 117.96 2day s VAL 30 Ca 0.20 -0.07 -0.15 0.00 0.00 0.00 0.00 61.98 61.97 2day s VAL 30 Cb -0.12 -0.58 0.19 0.00 0.00 0.00 0.00 36.38 35.88 2day s VAL 30 CO 0.11 0.24 0.73 -0.63 0.00 0.00 0.00 175.10 175.55 2day s ILE 31 N 1.24 5.46 0.53 2.22 1.09 -0.70 -5.04 121.20 125.99 2day s ILE 31 Ca -0.06 -2.18 -0.21 0.00 -1.10 0.00 0.00 60.65 57.10 2day s ILE 31 Cb -0.14 -4.46 -0.07 0.00 -1.06 0.00 0.00 42.46 36.73 2day s ILE 31 CO -0.02 -1.02 0.95 0.29 -0.10 0.00 0.00 174.94 175.04 2day n LYS 32 N 4.43 1.07 -2.16 2.79 4.76 -1.26 -4.16 118.16 123.63 2day n LYS 32 Ca 0.08 0.40 0.02 0.00 -2.87 0.00 0.00 58.31 55.94 2day n LYS 32 Cb 0.45 -2.09 0.03 0.00 -1.84 0.00 0.00 35.03 31.59 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 1.28 1.39 2.38 0.72 0.00 -1.26 -4.97 105.19 104.73 2day n GLY 33 Ca 0.12 -0.94 -0.03 0.00 0.00 0.00 0.00 46.02 45.17 2day n GLY 33 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2day n ASN 34 N -0.06 -1.52 -3.84 1.61 4.13 -1.26 -1.71 115.26 112.61 2day n ASN 34 Ca 0.06 0.41 -0.25 0.00 1.68 0.00 0.00 54.58 56.48 2day n ASN 34 Cb 0.97 -1.44 -0.05 0.00 -1.54 0.00 0.00 39.78 37.73 2day n ASN 34 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2day n GLY 35 N -0.52 -0.22 3.18 7.41 0.00 -1.26 -4.84 105.19 108.94 2day n GLY 35 Ca -0.03 0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 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 -6.28 3.44 0.00 1.61 0.52 -0.69 -4.75 118.95 112.80 2day s ARG 36 Ca 0.09 -3.12 0.00 0.00 -0.52 0.00 0.00 55.73 52.19 2day s ARG 36 Cb -0.05 -4.11 0.00 0.00 0.52 0.00 0.00 34.95 31.31 2day s ARG 36 CO 0.70 -1.25 0.00 -2.37 0.02 0.00 0.00 175.30 172.40 2day n THR 37 N 2.68 0.00 -5.09 0.02 5.66 -1.26 -4.85 114.28 111.43 2day n THR 37 Ca 0.20 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.88 2day n THR 37 Cb 0.38 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.01 2day n THR 37 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2day s SER 38 N -1.57 3.46 0.07 1.09 0.01 -1.26 -4.89 113.70 110.61 2day s SER 38 Ca 0.00 -0.40 -0.31 0.00 1.31 0.00 0.00 55.95 56.55 2day s SER 38 Cb 0.00 -0.96 -0.07 0.00 0.21 0.00 0.00 66.02 65.20 2day s SER 38 CO 0.00 0.26 1.40 -2.16 0.41 0.00 0.00 173.24 173.15 2day s PRO 39 N -0.22 4.30 0.52 12.44 0.04 -1.26 -4.70 135.00 146.13 2day s PRO 39 Ca -0.01 2.03 -0.18 0.00 0.04 0.00 0.00 61.00 62.88 2day s PRO 39 Cb -0.13 -3.40 -0.07 0.00 0.04 0.00 0.00 34.50 30.94 2day s PRO 39 CO 0.03 -0.50 1.03 -1.58 0.04 0.00 0.00 177.00 176.02 2day s TRP 40 N 1.69 3.10 -0.03 0.56 0.52 0.22 -4.80 118.94 120.21 2day s TRP 40 Ca 0.65 1.54 0.06 0.00 0.02 0.00 0.00 56.10 58.36 2day s TRP 40 Cb -0.35 -2.98 -0.01 0.00 -1.15 0.00 0.00 33.47 28.98 2day s TRP 40 CO 0.29 -0.78 -0.22 -2.00 0.02 0.00 0.00 176.95 174.25 2day s GLU 41 N -3.68 2.02 -0.03 4.98 2.56 -1.26 -0.23 118.70 123.06 2day s GLU 41 Ca 0.64 -0.80 -0.00 0.00 0.00 0.00 0.00 54.97 54.81 2day s GLU 41 Cb -0.14 -1.84 0.03 0.00 2.00 0.00 0.00 34.13 34.18 2day s GLU 41 CO 0.27 0.41 0.03 0.42 -0.56 0.00 0.00 175.26 175.83 2day s ILE 42 N -0.32 0.02 0.32 -3.70 1.01 0.10 -1.72 121.20 116.91 2day s ILE 42 Ca 0.03 0.22 0.08 0.00 0.00 0.00 0.00 60.65 60.98 2day s ILE 42 Cb -0.11 -0.17 -0.04 0.00 0.01 0.00 0.00 42.46 42.15 2day s ILE 42 CO 0.01 0.13 0.11 -0.31 0.00 0.00 0.00 174.94 174.88 2day s TYR 43 N 1.32 2.71 -0.20 3.97 1.51 -0.81 -0.23 117.35 125.62 2day s TYR 43 Ca -0.06 -0.35 -0.29 0.00 -1.01 0.00 0.00 57.07 55.36 2day s TYR 43 Cb -0.13 -1.54 0.14 0.00 -0.11 0.00 0.00 41.96 40.33 2day s TYR 43 CO -0.03 0.41 1.08 -1.50 -1.11 0.00 0.00 175.55 174.40 2day s ILE 44 N -2.40 0.00 -0.20 2.71 2.07 -0.90 -1.86 121.20 120.61 2day s ILE 44 Ca 0.36 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.56 2day s ILE 44 Cb -0.03 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.54 2day s ILE 44 CO 0.22 0.00 -0.04 -0.89 -1.91 0.00 0.00 174.94 172.32 2day s THR 45 N -0.97 3.54 0.04 4.00 2.01 -1.26 -1.01 115.64 121.99 2day s THR 45 Ca 0.01 -0.45 0.06 0.00 0.31 0.00 0.00 61.69 61.62 2day s THR 45 Cb -0.01 -2.59 -0.02 0.00 0.01 0.00 0.00 72.50 69.89 2day s THR 45 CO -0.01 0.44 -0.19 -0.76 -0.69 0.00 0.00 174.62 173.41 2day s LEU 46 N 1.16 2.17 0.01 4.42 1.43 -1.20 -5.04 118.68 121.64 2day s LEU 46 Ca 0.02 -0.50 -0.00 0.00 -1.03 0.00 0.00 54.13 52.62 2day s LEU 46 Cb -0.14 -0.86 -0.01 0.00 0.03 0.00 0.00 46.19 45.21 2day s LEU 46 CO -0.00 0.12 -0.01 -1.38 0.23 0.00 0.00 176.35 175.31 2day s HIS 47 N -0.81 0.13 -0.31 0.29 -3.43 -1.26 -3.39 115.29 106.50 2day s HIS 47 Ca 0.06 -0.26 -0.29 0.00 -0.80 0.00 0.00 55.06 53.77 2day s HIS 47 Cb -0.08 -0.09 -0.01 0.00 -1.43 0.00 0.00 32.58 30.96 2day s HIS 47 CO 0.02 -0.09 1.67 -1.25 -2.00 0.00 0.00 174.74 173.08 2day s PRO 48 N -0.72 3.52 -0.22 -0.38 0.04 -1.26 -4.88 135.00 131.10 2day s PRO 48 Ca -0.08 1.41 0.01 0.00 0.04 0.00 0.00 61.00 62.38 2day s PRO 48 Cb -0.05 -4.12 0.26 0.00 0.04 0.00 0.00 34.50 30.64 2day s PRO 48 CO -0.00 -1.63 1.58 0.00 0.04 0.00 0.00 177.00 176.99 2day n ALA 49 N 9.45 4.19 -0.05 8.56 0.00 -1.26 -3.91 120.51 137.48 2day n ALA 49 Ca 0.20 -1.34 -0.08 0.00 0.00 0.00 0.00 53.44 52.23 2day n ALA 49 Cb 0.46 -1.24 -0.04 0.00 0.00 0.00 0.00 19.45 18.63 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 -0.02 0.57 -1.97 0.00 5.66 -1.26 -4.90 114.28 112.35 2day n THR 50 Ca 0.27 -0.20 -0.31 0.00 -3.05 0.00 0.00 64.05 60.75 2day n THR 50 Cb 0.88 -1.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.62 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 1.79 -0.02 1.79 0.00 -1.25 -4.60 121.76 117.27 2day s ALA 51 Ca -0.14 -0.99 -0.00 0.00 0.00 0.00 0.00 51.96 50.84 2day s ALA 51 Cb 0.04 -4.44 -0.01 0.00 0.00 0.00 0.00 23.12 18.71 2day s ALA 51 CO 0.22 -4.51 -0.02 0.39 0.00 0.00 0.00 175.76 171.85 2day n GLU 52 N 9.00 0.04 -0.11 0.00 -0.58 -1.26 -4.83 120.64 122.90 2day n GLU 52 Ca 0.32 0.01 -0.24 0.00 -0.42 0.00 0.00 57.16 56.83 2day n GLU 52 Cb 0.49 -0.91 -0.11 0.00 -0.57 0.00 0.00 31.44 30.34 2day n GLU 52 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2day n ASP 53 N -2.68 1.97 -3.74 1.62 8.00 -1.26 -4.99 116.55 115.47 2day n ASP 53 Ca -0.03 0.23 -0.23 0.00 0.71 0.00 0.00 54.79 55.47 2day n ASP 53 Cb 0.53 -0.77 0.17 0.00 -0.02 0.00 0.00 41.12 41.02 2day n ASP 53 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2day n GLN 54 N -3.96 -2.40 -2.68 -1.24 6.02 -1.26 -5.01 117.38 106.85 2day n GLN 54 Ca -0.44 -0.70 -0.23 0.00 -0.01 0.00 0.00 57.00 55.62 2day n GLN 54 Cb 0.89 -1.58 0.11 0.00 1.02 0.00 0.00 30.24 30.67 2day n GLN 54 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2day s ASP 55 N -2.06 4.33 -1.50 1.08 1.01 -1.26 -4.50 116.67 113.76 2day s ASP 55 Ca 0.45 -0.54 -0.12 0.00 0.71 0.00 0.00 52.55 53.05 2day s ASP 55 Cb -0.08 0.22 0.07 0.00 1.01 0.00 0.00 42.92 44.15 2day s ASP 55 CO 0.45 -1.89 0.96 -0.24 0.21 0.00 0.00 175.17 174.66 2day n SER 56 N -2.80 -4.47 0.05 0.27 2.88 -1.26 -4.79 113.62 103.50 2day n SER 56 Ca 0.17 -0.77 0.03 0.00 -1.33 0.00 0.00 58.87 56.96 2day n SER 56 Cb 0.61 -3.95 0.18 0.00 -0.75 0.00 0.00 64.21 60.29 2day n SER 56 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2day n GLN 57 N -4.66 0.04 -2.92 -1.46 6.02 -1.26 -4.47 117.38 108.67 2day n GLN 57 Ca 0.00 0.51 -0.42 0.00 -0.01 0.00 0.00 57.00 57.09 2day n GLN 57 Cb 0.54 -1.69 -0.05 0.00 1.02 0.00 0.00 30.24 30.07 2day n GLN 57 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 2day s TYR 58 N -3.11 3.29 -0.30 1.08 6.14 -1.26 -4.99 117.35 118.20 2day s TYR 58 Ca -0.01 1.06 -0.18 0.00 0.64 0.00 0.00 57.07 58.58 2day s TYR 58 Cb 0.02 -3.06 0.18 0.00 0.42 0.00 0.00 41.96 39.52 2day s TYR 58 CO 0.06 -0.42 1.17 0.54 0.64 0.00 0.00 175.55 177.54 2day s VAL 59 N 2.84 -0.23 0.05 3.14 0.11 -1.26 -4.59 120.40 120.45 2day s VAL 59 Ca 0.34 0.00 -0.14 0.00 -2.93 0.00 0.00 61.98 59.25 2day s VAL 59 Cb -0.15 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.72 2day s VAL 59 CO 0.08 0.00 0.31 0.00 -3.33 0.00 0.00 175.10 172.16 2day s PHE 61 N -2.70 -0.36 -0.37 0.00 -0.12 -1.22 -2.39 117.98 110.83 2day s PHE 61 Ca -0.04 0.81 -0.18 0.00 -0.05 0.00 0.00 56.93 57.47 2day s PHE 61 Cb -0.00 0.14 0.00 0.00 -0.63 0.00 0.00 43.02 42.53 2day s PHE 61 CO -0.04 -0.28 0.48 0.99 -0.05 0.00 0.00 175.22 176.32 2day s THR 62 N -0.33 5.04 -0.31 -4.49 2.01 -1.05 -3.23 115.64 113.29 2day s THR 62 Ca -0.05 0.13 -0.26 0.00 0.31 0.00 0.00 61.69 61.83 2day s THR 62 Cb -0.03 -3.97 0.01 0.00 0.01 0.00 0.00 72.50 68.52 2day s THR 62 CO 0.02 -0.26 0.92 -0.22 -0.69 0.00 0.00 174.62 174.39 2day s LEU 63 N 2.30 4.02 -0.19 4.42 0.20 -0.18 -1.74 118.68 127.52 2day s LEU 63 Ca 0.16 0.83 -0.04 0.00 0.69 0.00 0.00 54.13 55.77 2day s LEU 63 Cb -0.16 -3.29 -0.02 0.00 -0.43 0.00 0.00 46.19 42.29 2day s LEU 63 CO 0.13 -0.74 -0.02 -0.69 -0.29 0.00 0.00 176.35 174.74 2day s VAL 64 N 3.28 3.80 -0.13 1.68 1.01 -0.86 -2.11 120.40 127.07 2day s VAL 64 Ca 0.38 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 62.00 2day s VAL 64 Cb -0.13 -2.70 -0.01 0.00 0.00 0.00 0.00 36.38 33.54 2day s VAL 64 CO 0.14 0.45 -0.17 -0.76 0.00 0.00 0.00 175.10 174.76 2day s LEU 65 N 0.86 2.47 -0.43 3.92 1.43 0.68 -1.52 118.68 126.09 2day s LEU 65 Ca -0.00 -0.43 -0.03 0.00 -1.03 0.00 0.00 54.13 52.64 2day s LEU 65 Cb -0.14 -1.54 0.12 0.00 0.03 0.00 0.00 46.19 44.65 2day s LEU 65 CO 0.02 0.14 0.23 -1.10 0.23 0.00 0.00 176.35 175.87 2day s GLN 66 N 0.47 2.05 -0.43 1.70 -0.21 -1.16 -0.72 119.66 121.37 2day s GLN 66 Ca -0.12 -1.91 -0.27 0.00 0.02 0.00 0.00 55.36 53.09 2day s GLN 66 Cb -0.16 -3.59 0.02 0.00 1.00 0.00 0.00 33.01 30.28 2day s GLN 66 CO 0.05 -1.08 1.01 0.08 -2.12 0.00 0.00 175.29 173.22 2day s VAL 67 N 0.99 4.42 0.62 1.09 1.01 0.68 -2.58 120.40 126.64 2day s VAL 67 Ca 0.09 1.11 -0.10 0.00 0.00 0.00 0.00 61.98 63.08 2day s VAL 67 Cb -0.22 -4.46 0.15 0.00 0.00 0.00 0.00 36.38 31.85 2day s VAL 67 CO -0.04 -0.77 0.55 -0.81 0.00 0.00 0.00 175.10 174.03 2day n PRO 68 N 7.24 -2.10 -0.01 2.72 -0.04 -1.26 0.73 135.00 142.27 2day n PRO 68 Ca 0.09 -0.89 -0.17 0.00 -0.04 0.00 0.00 63.50 62.50 2day n PRO 68 Cb 0.48 -0.83 -0.11 0.00 -0.04 0.00 0.00 33.50 33.00 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 -2.38 0.06 -0.81 0.55 0.00 -1.90 -3.29 119.26 111.49 2day h ALA 69 Ca -0.21 -0.53 0.19 0.00 0.00 0.00 0.00 54.91 54.36 2day h ALA 69 Cb 0.64 0.03 -0.12 0.00 0.00 0.00 0.00 17.79 18.33 2day h ALA 69 CO 0.14 0.26 0.26 0.93 0.00 0.00 0.00 179.25 180.83 2day h GLU 70 N -0.24 0.30 -3.56 0.00 5.08 -1.94 -3.43 114.58 110.79 2day h GLU 70 Ca -0.06 -0.02 -0.39 0.00 -1.00 0.00 0.00 59.36 57.89 2day h GLU 70 Cb 1.20 -0.07 0.07 0.00 0.50 0.00 0.00 28.75 30.45 2day h GLU 70 CO 0.09 0.20 -0.34 0.98 -1.00 0.00 0.00 179.01 178.94 2day n TYR 71 N -5.13 -0.38 0.24 4.33 4.19 -1.24 -1.66 117.16 117.50 2day n TYR 71 Ca 0.18 0.56 0.11 0.00 3.31 0.00 0.00 57.90 62.06 2day n TYR 71 Cb 0.55 -1.15 0.55 0.00 0.49 0.00 0.00 39.34 39.78 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 0.55 0.00 -0.60 2.98 0.13 -1.92 -3.44 132.00 129.70 2day h PRO 72 Ca -0.17 0.00 0.24 0.00 -0.87 0.00 0.00 66.00 65.20 2day h PRO 72 Cb 0.85 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.88 2day h PRO 72 CO 0.33 0.18 0.28 0.72 -0.23 0.00 0.00 178.00 179.29 2day n HIS 73 N -3.41 0.66 -4.47 1.56 8.25 -0.67 -4.08 115.22 113.06 2day n HIS 73 Ca -0.00 0.71 -0.31 0.00 -0.26 0.00 0.00 57.72 57.86 2day n HIS 73 Cb 0.37 -1.12 -0.11 0.00 1.12 0.00 0.00 29.99 30.25 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 -4.98 2.19 0.17 -0.41 2.56 -1.24 -4.92 118.70 112.05 2day s GLU 74 Ca -0.06 -0.94 -0.26 0.00 0.00 0.00 0.00 54.97 53.72 2day s GLU 74 Cb 0.20 -2.29 -0.08 0.00 2.00 0.00 0.00 34.13 33.96 2day s GLU 74 CO 0.47 0.54 0.79 0.14 -0.56 0.00 0.00 175.26 176.64 2day s VAL 75 N -1.03 4.35 0.03 3.70 -7.23 -1.26 -3.70 120.40 115.26 2day s VAL 75 Ca 0.17 1.73 -0.30 0.00 -1.81 0.00 0.00 61.98 61.76 2day s VAL 75 Cb -0.11 -4.15 -0.06 0.00 0.56 0.00 0.00 36.38 32.62 2day s VAL 75 CO 0.08 0.52 1.43 -2.16 -0.31 0.00 0.00 175.10 174.66 2day s PRO 76 N -1.14 4.28 -0.19 4.82 0.04 -1.26 -4.81 135.00 136.74 2day s PRO 76 Ca 0.36 2.02 -0.29 0.00 0.04 0.00 0.00 61.00 63.14 2day s PRO 76 Cb -0.23 -3.53 -0.06 0.00 0.04 0.00 0.00 34.50 30.72 2day s PRO 76 CO 0.27 -0.57 2.19 0.00 0.04 0.00 0.00 177.00 178.93 2day n GLN 77 N 5.18 2.05 -2.72 4.56 10.64 -1.07 -4.74 117.38 131.29 2day n GLN 77 Ca 0.13 0.59 -0.43 0.00 -1.83 0.00 0.00 57.00 55.47 2day n GLN 77 Cb 0.43 -3.19 -0.03 0.00 -0.86 0.00 0.00 30.24 26.60 2day n GLN 77 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 2day s ILE 78 N 7.80 4.68 0.32 -0.39 1.01 -1.26 -2.97 121.20 130.39 2day s ILE 78 Ca 1.00 1.81 0.05 0.00 0.00 0.00 0.00 60.65 63.51 2day s ILE 78 Cb -0.37 -4.29 -0.06 0.00 0.01 0.00 0.00 42.46 37.75 2day s ILE 78 CO 0.37 -0.24 0.01 -0.94 0.00 0.00 0.00 174.94 174.13 2day s SER 79 N 1.37 2.75 -0.04 3.58 1.04 -0.58 -4.96 113.70 116.86 2day s SER 79 Ca 0.42 -1.30 0.00 0.00 0.48 0.00 0.00 55.95 55.55 2day s SER 79 Cb -0.14 -0.16 0.02 0.00 0.10 0.00 0.00 66.02 65.84 2day s SER 79 CO 0.09 -0.48 -0.02 -0.63 0.98 0.00 0.00 173.24 173.18 2day s ILE 80 N -3.10 0.33 0.24 -1.02 1.01 -1.26 -2.02 121.20 115.38 2day s ILE 80 Ca 0.34 0.02 0.10 0.00 0.00 0.00 0.00 60.65 61.10 2day s ILE 80 Cb 0.07 -0.41 -0.04 0.00 0.01 0.00 0.00 42.46 42.09 2day s ILE 80 CO 0.14 0.19 -0.08 -0.13 0.00 0.00 0.00 174.94 175.06 2day s ARG 81 N 1.09 2.06 -1.51 2.79 0.52 -0.71 -4.70 118.95 118.50 2day s ARG 81 Ca -0.09 -1.47 -0.00 0.00 -0.52 0.00 0.00 55.73 53.66 2day s ARG 81 Cb -0.14 -2.06 0.00 0.00 0.52 0.00 0.00 34.95 33.27 2day s ARG 81 CO -0.01 0.38 0.12 0.27 0.02 0.00 0.00 175.30 176.08 2day n ASN 82 N -0.55 0.58 -4.57 0.23 0.23 -1.26 -2.53 115.26 107.38 2day n ASN 82 Ca -0.07 -1.20 -0.28 0.00 -0.53 0.00 0.00 54.58 52.50 2day n ASN 82 Cb 0.58 -2.02 -0.06 0.00 -2.08 0.00 0.00 39.78 36.21 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 -7.14 2.51 0.16 -0.53 0.04 -1.26 -4.37 135.00 124.41 2day s PRO 83 Ca 0.00 -0.90 0.03 0.00 0.04 0.00 0.00 61.00 60.18 2day s PRO 83 Cb -0.00 -5.19 -0.04 0.00 0.04 0.00 0.00 34.50 29.32 2day s PRO 83 CO 0.97 -3.80 0.26 1.03 0.04 0.00 0.00 177.00 175.50 2day s ARG 84 N 6.64 3.32 0.00 4.56 1.81 -1.00 -4.48 118.95 129.79 2day s ARG 84 Ca 0.69 -0.68 0.00 0.00 -1.72 0.00 0.00 55.73 54.02 2day s ARG 84 Cb -0.03 -2.88 0.00 0.00 -0.45 0.00 0.00 34.95 31.59 2day s ARG 84 CO 0.09 0.50 0.00 0.41 -0.68 0.00 0.00 175.30 175.62 2day n GLY 85 N -0.61 1.09 3.86 -3.53 0.00 -1.26 -2.74 105.19 102.01 2day n GLY 85 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 2day n GLY 85 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2day s LEU 86 N 0.00 3.87 0.25 0.99 1.43 -1.26 -4.94 118.68 119.02 2day s LEU 86 Ca 0.00 1.22 0.03 0.00 -1.03 0.00 0.00 54.13 54.35 2day s LEU 86 Cb 0.00 -4.09 -0.03 0.00 0.03 0.00 0.00 46.19 42.10 2day s LEU 86 CO 0.00 -0.37 0.40 -0.55 0.23 0.00 0.00 176.35 176.06 2day s SER 87 N -2.92 6.33 0.26 2.29 0.15 -1.26 -4.88 113.70 113.67 2day s SER 87 Ca 0.53 0.22 -0.04 0.00 0.70 0.00 0.00 55.95 57.35 2day s SER 87 Cb -0.10 -1.93 0.53 0.00 -1.71 0.00 0.00 66.02 62.81 2day s SER 87 CO 0.28 -0.10 1.63 -0.78 1.20 0.00 0.00 173.24 175.46 2day h ASP 88 N 1.32 -0.32 -0.15 5.45 3.58 -1.98 0.25 116.42 124.58 2day h ASP 88 Ca -0.50 0.21 0.02 0.00 0.42 0.00 0.00 57.03 57.17 2day h ASP 88 Cb 1.22 0.36 -0.02 0.00 1.72 0.00 0.00 39.33 42.61 2day h ASP 88 CO 0.63 -0.20 0.05 -0.08 -2.88 0.00 0.00 179.24 176.75 2day h GLU 89 N 0.11 0.11 0.38 0.28 4.81 -2.00 -2.24 114.58 116.04 2day h GLU 89 Ca 0.47 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.67 2day h GLU 89 Cb 0.87 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.23 2day h GLU 89 CO -0.71 0.08 -0.18 1.96 -0.73 0.00 0.00 179.01 179.42 2day h GLN 90 N 0.12 -0.50 -0.69 1.92 4.20 -1.21 -2.37 115.11 116.57 2day h GLN 90 Ca 0.06 0.03 0.13 0.00 0.06 0.00 0.00 58.65 58.93 2day h GLN 90 Cb 0.04 0.11 -0.13 0.00 0.30 0.00 0.00 27.48 27.81 2day h GLN 90 CO -0.07 -0.30 -0.30 0.82 -0.67 0.00 0.00 178.83 178.32 2day h ILE 91 N -0.57 0.17 -0.51 2.54 2.04 -0.53 0.12 117.51 120.77 2day h ILE 91 Ca -0.05 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.87 2day h ILE 91 Cb 0.43 0.17 -0.05 0.00 -0.74 0.00 0.00 36.82 36.63 2day h ILE 91 CO 0.09 0.00 0.22 -0.74 0.00 0.00 0.00 178.15 177.72 2day h HIS 92 N -0.09 0.40 -0.15 1.37 2.76 -1.31 0.06 115.15 118.19 2day h HIS 92 Ca 0.29 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.52 2day h HIS 92 Cb 0.56 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.41 2day h HIS 92 CO -0.66 0.16 0.25 1.15 -1.30 0.00 0.00 177.93 177.54 2day h THR 93 N 0.43 0.26 0.00 6.26 2.02 -0.25 0.20 112.91 121.82 2day h THR 93 Ca 0.24 0.00 -0.23 0.00 0.77 0.00 0.00 66.41 67.19 2day h THR 93 Cb 0.20 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 67.36 2day h THR 93 CO -0.20 0.00 -1.25 0.40 0.37 0.00 0.00 175.52 174.84 2day h ILE 94 N 0.00 1.21 0.06 3.11 2.04 -0.27 -3.04 117.51 120.61 2day h ILE 94 Ca 0.07 -2.92 -0.26 0.00 1.00 0.00 0.00 64.86 62.75 2day h ILE 94 Cb 0.57 2.58 0.02 0.00 -0.74 0.00 0.00 36.82 39.25 2day h ILE 94 CO -0.00 0.69 -1.06 -0.07 0.00 0.00 0.00 178.15 177.71 2day h LEU 95 N 0.00 0.82 0.15 1.44 3.38 -0.22 -2.94 115.31 117.95 2day h LEU 95 Ca -0.12 -0.79 -0.01 0.00 0.09 0.00 0.00 57.88 57.05 2day h LEU 95 Cb 1.81 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.30 2day h LEU 95 CO 0.10 1.52 -0.07 0.06 0.09 0.00 0.00 178.44 180.13 2day h GLN 96 N 0.23 -0.20 0.09 1.13 3.07 -1.32 0.89 115.11 119.00 2day h GLN 96 Ca -0.15 0.01 0.02 0.00 0.09 0.00 0.00 58.65 58.63 2day h GLN 96 Cb 1.74 0.05 -0.05 0.00 0.08 0.00 0.00 27.48 29.29 2day h GLN 96 CO 0.21 0.12 -0.40 -0.24 0.09 0.00 0.00 178.83 178.60 2day h VAL 97 N -0.53 0.19 -0.28 1.86 3.04 -1.66 -2.61 116.25 116.27 2day h VAL 97 Ca -0.02 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.67 2day h VAL 97 Cb 0.41 0.19 -0.01 0.00 -2.01 0.00 0.00 31.29 29.86 2day h VAL 97 CO 0.03 0.00 0.17 -0.07 -1.01 0.00 0.00 177.57 176.70 2day h LEU 98 N -0.61 0.33 -0.92 3.16 3.38 -1.57 -2.93 115.31 116.15 2day h LEU 98 Ca 0.03 -0.04 0.18 0.00 0.09 0.00 0.00 57.88 58.14 2day h LEU 98 Cb 0.65 -0.08 -0.17 0.00 0.09 0.00 0.00 40.66 41.15 2day h LEU 98 CO -0.25 0.27 -0.24 0.61 0.09 0.00 0.00 178.44 178.92 2day n GLY 99 N -1.09 -1.56 0.28 0.83 0.00 0.31 -0.91 105.19 103.05 2day n GLY 99 Ca -0.02 0.98 -0.14 0.00 0.00 0.00 0.00 46.02 46.85 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 -0.61 -0.88 1.61 -0.00 -1.33 -3.09 115.15 110.85 2day h HIS 100 Ca 0.43 -0.01 0.37 0.00 -0.00 0.00 0.00 60.37 61.15 2day h HIS 100 Cb 0.66 0.20 -0.15 0.00 -0.00 0.00 0.00 27.41 28.12 2day h HIS 100 CO -0.71 -0.28 0.48 0.28 -0.00 0.00 0.00 177.93 177.69 2day n VAL 101 N -5.26 -0.36 0.16 5.26 0.31 -0.09 0.13 118.33 118.48 2day n VAL 101 Ca -0.11 1.75 -0.16 0.00 -0.01 0.00 0.00 64.34 65.82 2day n VAL 101 Cb 0.31 -2.85 -0.09 0.00 -0.91 0.00 0.00 33.84 30.30 2day n VAL 101 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2day h ALA 102 N 1.72 -0.92 -0.63 3.52 0.00 -1.24 -2.23 119.26 119.49 2day h ALA 102 Ca 0.74 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.54 2day h ALA 102 Cb 1.97 0.77 -0.03 0.00 0.00 0.00 0.00 17.79 20.50 2day h ALA 102 CO -0.66 -1.08 0.41 0.87 0.00 0.00 0.00 179.25 178.80 2day h LYS 103 N -0.77 0.81 0.00 0.00 1.57 -0.41 -1.12 116.57 116.65 2day h LYS 103 Ca -0.01 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2day h LYS 103 Cb 0.75 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.88 2day h LYS 103 CO -0.21 0.54 0.32 0.00 -0.57 0.00 0.00 179.45 179.53 2day h ALA 104 N 1.24 1.31 -0.79 3.86 0.00 -0.91 0.13 119.26 124.10 2day h ALA 104 Ca 0.23 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.59 2day h ALA 104 Cb -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 17.79 17.29 2day h ALA 104 CO -0.06 -0.31 -0.76 0.41 0.00 0.00 0.00 179.25 178.53 2day n GLY 105 N -1.23 6.38 3.86 0.00 0.00 -0.43 -5.05 105.19 108.71 2day n GLY 105 Ca -0.02 -2.66 -0.32 0.00 0.00 0.00 0.00 46.02 43.02 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 -3.60 4.00 0.00 0.99 1.43 0.03 -4.01 118.68 117.52 2day s LEU 106 Ca 0.51 1.23 0.00 0.00 -1.03 0.00 0.00 54.13 54.85 2day s LEU 106 Cb 0.41 -4.06 0.00 0.00 0.03 0.00 0.00 46.19 42.58 2day s LEU 106 CO 0.03 -0.25 0.00 0.61 0.23 0.00 0.00 176.35 176.96 2day n GLY 107 N -0.61 3.33 3.49 -3.19 0.00 -1.26 -5.00 105.19 101.96 2day n GLY 107 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.63 0.00 0.11 2.61 -4.23 -1.26 -4.97 115.64 105.27 2day s THR 108 Ca 0.00 -1.60 -0.35 0.00 -1.18 0.00 0.00 61.69 58.56 2day s THR 108 Cb 0.00 -2.59 -0.17 0.00 1.34 0.00 0.00 72.50 71.08 2day s THR 108 CO 0.00 0.00 1.25 0.00 -0.54 0.00 0.00 174.62 175.33 2day n ALA 109 N -0.54 -1.10 0.00 3.99 0.00 -1.26 -4.86 120.51 116.75 2day n ALA 109 Ca 0.01 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.95 2day n ALA 109 Cb 0.62 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 18.03 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 2.17 1.34 -0.26 0.00 3.85 -1.26 -4.80 117.12 118.16 2day n MET 110 Ca 0.17 0.00 0.13 0.00 -1.00 0.00 0.00 57.70 57.00 2day n MET 110 Cb 0.20 -0.78 0.25 0.00 -1.05 0.00 0.00 33.22 31.84 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 -1.62 -0.04 0.25 3.17 4.77 -1.26 0.21 117.00 122.48 2day n LEU 111 Ca 0.00 1.27 -0.16 0.00 -0.03 0.00 0.00 56.01 57.09 2day n LEU 111 Cb 0.28 -0.48 -0.09 0.00 -2.33 0.00 0.00 43.42 40.80 2day n LEU 111 CO 0.00 -1.30 0.52 0.22 -1.33 0.00 0.00 177.39 175.50 2day h TYR 112 N 0.00 -1.29 -0.03 -1.77 3.20 -2.00 -2.35 116.97 112.74 2day h TYR 112 Ca 0.48 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.38 2day h TYR 112 Cb 1.03 0.51 -0.04 0.00 1.54 0.00 0.00 36.73 39.76 2day h TYR 112 CO -0.34 -0.61 -0.41 0.93 -1.64 0.00 0.00 178.16 176.10 2day h GLU 113 N -0.89 -0.48 -0.78 1.82 5.08 -0.56 -2.20 114.58 116.58 2day h GLU 113 Ca -0.05 0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.41 2day h GLU 113 Cb 0.78 0.11 -0.09 0.00 0.50 0.00 0.00 28.75 30.05 2day h GLU 113 CO -0.08 -0.32 -0.46 1.28 -1.00 0.00 0.00 179.01 178.44 2day n LEU 114 N -4.73 -0.82 -0.17 1.33 4.77 -0.77 0.32 117.00 116.93 2day n LEU 114 Ca -0.05 1.43 -0.04 0.00 -0.03 0.00 0.00 56.01 57.32 2day n LEU 114 Cb 0.30 -0.20 0.03 0.00 -2.33 0.00 0.00 43.42 41.22 2day n LEU 114 CO 0.08 -1.15 0.71 0.40 -1.33 0.00 0.00 177.39 176.10 2day h ILE 115 N 0.00 0.34 -0.76 -0.08 2.04 -1.04 -1.89 117.51 116.12 2day h ILE 115 Ca 0.12 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.07 2day h ILE 115 Cb 0.32 0.34 -0.11 0.00 -0.74 0.00 0.00 36.82 36.63 2day h ILE 115 CO -0.73 0.00 -0.54 -0.33 0.00 0.00 0.00 178.15 176.55 2day h GLU 116 N -0.09 -0.15 -0.60 2.37 5.08 0.48 0.13 114.58 121.81 2day h GLU 116 Ca 0.24 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.73 2day h GLU 116 Cb 0.47 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 29.67 2day h GLU 116 CO -0.59 -0.10 0.12 0.87 -1.00 0.00 0.00 179.01 178.32 2day h LYS 117 N -0.15 0.24 -1.53 2.33 1.79 -0.96 -0.94 116.57 117.35 2day h LYS 117 Ca 0.15 -0.01 0.47 0.00 -2.18 0.00 0.00 60.65 59.07 2day h LYS 117 Cb 0.50 -0.05 -0.09 0.00 -1.58 0.00 0.00 32.23 31.01 2day h LYS 117 CO -0.81 0.16 1.07 0.41 -1.08 0.00 0.00 179.45 179.21 2day n GLY 118 N -1.32 -0.81 0.04 3.86 0.00 0.45 -1.10 105.19 106.32 2day n GLY 118 Ca 0.09 0.62 -0.02 0.00 0.00 0.00 0.00 46.02 46.70 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 0.00 -0.88 1.61 6.56 -1.15 -3.33 116.57 119.38 2day h LYS 119 Ca 0.79 0.00 0.09 0.00 -1.06 0.00 0.00 60.65 60.48 2day h LYS 119 Cb 2.99 0.00 -0.12 0.00 -0.57 0.00 0.00 32.23 34.53 2day h LYS 119 CO -0.14 0.00 -0.48 0.39 -2.06 0.00 0.00 179.45 177.16 2day n GLU 120 N -3.91 -0.34 -0.15 3.15 -0.58 -0.26 -0.67 120.64 117.87 2day n GLU 120 Ca -0.03 1.34 -0.13 0.00 -0.42 0.00 0.00 57.16 57.91 2day n GLU 120 Cb 0.12 -1.98 -0.10 0.00 -0.57 0.00 0.00 31.44 28.92 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 -0.97 -3.67 2.04 -1.45 0.11 117.51 113.57 2day h ILE 121 Ca 0.18 0.00 0.32 0.00 1.00 0.00 0.00 64.86 66.36 2day h ILE 121 Cb 0.40 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.33 2day h ILE 121 CO -0.84 0.00 0.42 -0.07 0.00 0.00 0.00 178.15 177.66 2day h LEU 122 N -0.37 0.24-10.18 1.44 3.38 -1.00 -3.39 115.31 105.42 2day h LEU 122 Ca 0.08 0.22 -0.48 0.00 0.09 0.00 0.00 57.88 57.78 2day h LEU 122 Cb 0.57 0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.57 2day h LEU 122 CO -0.60 -0.23 0.27 -0.94 0.09 0.00 0.00 178.44 177.03 2day s SER 123 N -4.88 6.57 0.00 -0.43 1.04 0.38 -4.66 113.70 111.72 2day s SER 123 Ca -0.11 1.39 0.00 0.00 0.48 0.00 0.00 55.95 57.72 2day s SER 123 Cb 0.30 -2.43 0.00 0.00 0.10 0.00 0.00 66.02 63.98 2day s SER 123 CO 0.78 -0.52 0.00 0.61 0.98 0.00 0.00 173.24 175.09 2day n GLY 124 N -1.51 3.16 3.58 7.32 0.00 -1.26 -4.90 105.19 111.57 2day n GLY 124 Ca 0.05 -1.27 -0.30 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.43 -1.49 -0.24 1.61 0.04 -1.26 -4.99 135.00 127.24 2day s PRO 125 Ca 0.00 -0.16 -0.08 0.00 0.04 0.00 0.00 61.00 60.80 2day s PRO 125 Cb 0.00 -1.57 -0.03 0.00 0.04 0.00 0.00 34.50 32.93 2day s PRO 125 CO 0.00 -3.87 0.08 -1.12 0.04 0.00 0.00 177.00 172.14 2day s SER 126 N -3.97 5.35 -0.07 6.66 0.01 -1.26 -5.07 113.70 115.35 2day s SER 126 Ca 0.72 -0.12 -0.05 0.00 1.31 0.00 0.00 55.95 57.81 2day s SER 126 Cb -0.08 -1.96 0.03 0.00 0.21 0.00 0.00 66.02 64.22 2day s SER 126 CO 0.56 0.01 0.18 -0.94 0.41 0.00 0.00 173.24 173.45 2day s SER 127 N 1.37 -0.17 0.00 2.44 1.04 -1.26 -5.29 113.70 111.83 2day s SER 127 Ca 0.05 0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.85 2day s SER 127 Cb -0.15 0.31 0.00 0.00 0.10 0.00 0.00 66.02 66.28 2day s SER 127 CO 0.04 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.77