#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 1.09 -3.96 1.61 3.41 -1.26 -4.87 113.62 109.65 2day n SER 2 Ca 0.00 -0.41 -0.31 0.00 -0.26 0.00 0.00 58.87 57.90 2day n SER 2 Cb 0.00 -1.24 -0.15 0.00 -0.26 0.00 0.00 64.21 62.56 2day n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2day s SER 3 N 9.51 4.50 -0.32 4.04 0.15 -1.26 -5.02 113.70 125.31 2day s SER 3 Ca 1.15 -1.90 -0.09 0.00 0.70 0.00 0.00 55.95 55.81 2day s SER 3 Cb -0.63 -1.42 0.19 0.00 -1.71 0.00 0.00 66.02 62.45 2day s SER 3 CO 0.35 -0.36 1.02 -0.83 1.20 0.00 0.00 173.24 174.62 2day s GLY 4 N 1.11 -1.35 0.07 9.45 0.00 -1.26 -5.06 107.32 110.28 2day s GLY 4 Ca 0.08 1.45 -0.35 0.00 0.00 0.00 0.00 44.72 45.90 2day s GLY 4 CO -0.11 4.20 1.53 1.48 0.00 0.00 0.00 173.10 180.20 2day h SER 5 N 6.08 -1.23 -6.33 1.64 4.64 -1.96 -3.43 113.55 112.96 2day h SER 5 Ca -0.05 0.08 -0.47 0.00 -0.47 0.00 0.00 61.79 60.88 2day h SER 5 Cb 1.21 0.37 -0.04 0.00 -0.31 0.00 0.00 62.40 63.64 2day h SER 5 CO -0.07 -0.70 -0.80 -1.20 -0.87 0.00 0.00 176.83 173.19 2day n SER 6 N -5.41 -3.17 -4.80 4.97 7.64 -1.26 -4.21 113.62 107.37 2day n SER 6 Ca -0.13 -0.85 -0.20 0.00 1.01 0.00 0.00 58.87 58.70 2day n SER 6 Cb 0.47 -3.68 0.08 0.00 -1.01 0.00 0.00 64.21 60.06 2day n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2day n GLY 7 N -1.67 1.70 3.65 0.23 0.00 -1.26 -4.25 105.19 103.58 2day n GLY 7 Ca -0.08 -2.19 -0.35 0.00 0.00 0.00 0.00 46.02 43.41 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 -4.67 2.97 0.10 1.61 2.02 -1.26 -5.02 118.70 114.45 2day s GLU 8 Ca 0.61 -0.45 -0.14 0.00 0.02 0.00 0.00 54.97 55.01 2day s GLU 8 Cb -0.05 -2.75 -0.13 0.00 0.10 0.00 0.00 34.13 31.30 2day s GLU 8 CO 0.39 0.66 1.34 1.49 0.02 0.00 0.00 175.26 179.16 2day h GLU 9 N 5.28 0.77 -4.79 1.61 4.57 -2.06 -3.39 114.58 116.58 2day h GLU 9 Ca -0.49 -0.55 -0.70 0.00 -1.18 0.00 0.00 59.36 56.45 2day h GLU 9 Cb 1.19 0.09 -0.19 0.00 -0.16 0.00 0.00 28.75 29.67 2day h GLU 9 CO 0.54 1.17 0.27 -0.51 -1.18 0.00 0.00 179.01 179.31 2day s ASP 10 N -6.91 6.28 -0.30 1.04 1.11 -1.26 -4.95 116.67 111.68 2day s ASP 10 Ca -0.11 -1.54 -0.14 0.00 0.18 0.00 0.00 52.55 50.94 2day s ASP 10 Cb 0.09 -2.33 0.16 0.00 1.07 0.00 0.00 42.92 41.91 2day s ASP 10 CO 0.88 -1.12 0.93 0.86 1.18 0.00 0.00 175.17 177.89 2day s TRP 11 N 2.72 -0.80 0.12 4.23 -0.11 -1.26 -5.04 118.94 118.79 2day s TRP 11 Ca 0.16 1.39 -0.11 0.00 1.22 0.00 0.00 56.10 58.76 2day s TRP 11 Cb -0.20 0.48 -0.11 0.00 -1.50 0.00 0.00 33.47 32.14 2day s TRP 11 CO 0.04 -0.40 1.34 -0.24 -4.62 0.00 0.00 176.95 173.07 2day h VAL 12 N 5.58 1.29 -0.88 5.86 3.04 -1.92 -3.15 116.25 126.06 2day h VAL 12 Ca -0.16 -1.94 0.09 0.00 -1.01 0.00 0.00 66.70 63.68 2day h VAL 12 Cb 1.11 1.92 -0.11 0.00 -2.01 0.00 0.00 31.29 32.20 2day h VAL 12 CO 0.09 0.62 -0.50 -0.11 -1.01 0.00 0.00 177.57 176.66 2day n LEU 13 N -3.94 -0.88 0.21 3.16 7.94 -1.26 0.11 117.00 122.33 2day n LEU 13 Ca -0.06 1.57 0.08 0.00 -1.11 0.00 0.00 56.01 56.48 2day n LEU 13 Cb 0.72 -0.23 0.45 0.00 0.53 0.00 0.00 43.42 44.90 2day n LEU 13 CO 0.52 -1.30 0.78 1.55 -1.11 0.00 0.00 177.39 177.83 2day h PRO 14 N 0.00 0.00 -0.03 1.96 0.13 -1.98 -2.50 132.00 129.57 2day h PRO 14 Ca 0.17 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.19 2day h PRO 14 Cb 0.39 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.50 2day h PRO 14 CO -0.84 0.28 -0.48 0.77 -0.23 0.00 0.00 178.00 177.51 2day h SER 15 N 0.00 0.08 0.12 1.44 0.02 0.78 -2.69 113.55 113.31 2day h SER 15 Ca -0.00 -0.04 -0.23 0.00 -0.84 0.00 0.00 61.79 60.68 2day h SER 15 Cb 0.71 -0.02 0.01 0.00 0.14 0.00 0.00 62.40 63.23 2day h SER 15 CO 0.04 0.55 -1.11 -0.33 -1.14 0.00 0.00 176.83 174.83 2day h GLU 16 N 0.06 0.26 -0.87 3.45 4.39 -0.44 -3.34 114.58 118.09 2day h GLU 16 Ca 0.00 -0.45 0.12 0.00 0.34 0.00 0.00 59.36 59.37 2day h GLU 16 Cb 0.87 0.17 -0.07 0.00 -0.10 0.00 0.00 28.75 29.62 2day h GLU 16 CO 0.07 1.21 0.56 0.28 -1.16 0.00 0.00 179.01 179.97 2day h VAL 17 N -0.36 0.90 -0.69 3.13 2.07 -1.46 -0.02 116.25 119.83 2day h VAL 17 Ca -0.23 -0.26 0.12 0.00 0.82 0.00 0.00 66.70 67.15 2day h VAL 17 Cb 1.69 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 31.48 2day h VAL 17 CO 0.10 0.14 0.46 -0.33 0.02 0.00 0.00 177.57 177.95 2day h GLU 18 N 0.77 0.43 0.22 1.57 4.39 -1.59 -0.70 114.58 119.66 2day h GLU 18 Ca 0.42 -0.03 -0.33 0.00 0.34 0.00 0.00 59.36 59.77 2day h GLU 18 Cb 0.55 -0.10 0.03 0.00 -0.10 0.00 0.00 28.75 29.13 2day h GLU 18 CO -0.18 0.29 -1.49 0.28 -1.16 0.00 0.00 179.01 176.74 2day h VAL 19 N 0.45 1.26 0.91 3.13 2.07 -1.17 -3.34 116.25 119.56 2day h VAL 19 Ca 0.33 -2.74 -0.04 0.00 0.82 0.00 0.00 66.70 65.06 2day h VAL 19 Cb 0.66 2.97 0.01 0.00 -1.52 0.00 0.00 31.29 33.41 2day h VAL 19 CO -0.10 0.83 -0.44 -0.07 0.02 0.00 0.00 177.57 177.82 2day h LEU 20 N 0.13 -1.03 -0.85 2.57 3.38 -0.62 -3.00 115.31 115.88 2day h LEU 20 Ca -0.25 0.04 0.18 0.00 0.09 0.00 0.00 57.88 57.94 2day h LEU 20 Cb 2.12 0.27 -0.16 0.00 0.09 0.00 0.00 40.66 42.98 2day h LEU 20 CO 0.24 -0.74 -0.18 -0.62 0.09 0.00 0.00 178.44 177.24 2day n GLU 21 N -5.30 -0.08 -0.30 1.13 1.02 -0.37 0.17 120.64 116.92 2day n GLU 21 Ca -0.15 1.32 0.12 0.00 -0.02 0.00 0.00 57.16 58.43 2day n GLU 21 Cb 0.48 -1.99 0.29 0.00 -0.02 0.00 0.00 31.44 30.20 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 0.32 0.00 1.62 0.87 -1.64 1.51 113.55 116.24 2day h SER 22 Ca 0.42 0.15 -0.05 0.00 -1.23 0.00 0.00 61.79 61.08 2day h SER 22 Cb 0.69 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.77 2day h SER 22 CO -0.87 0.02 -0.42 0.40 -0.53 0.00 0.00 176.83 175.43 2day h ILE 23 N 0.41 0.63 -1.20 2.23 2.04 0.17 -3.37 117.51 118.43 2day h ILE 23 Ca 0.54 -1.59 -0.59 0.00 1.00 0.00 0.00 64.86 64.23 2day h ILE 23 Cb 1.00 1.31 -0.22 0.00 -0.74 0.00 0.00 36.82 38.17 2day h ILE 23 CO -0.51 0.21 0.71 -1.22 0.00 0.00 0.00 178.15 177.34 2day n TYR 24 N -4.62 2.39 -0.27 1.37 4.01 0.13 -4.78 117.16 115.38 2day n TYR 24 Ca -0.12 -2.33 -0.07 0.00 -0.16 0.00 0.00 57.90 55.22 2day n TYR 24 Cb 0.34 -1.26 -0.06 0.00 -0.31 0.00 0.00 39.34 38.04 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 -0.08 -0.69 -0.09 7.72 4.77 0.52 -0.40 117.00 128.76 2day n LEU 25 Ca 0.50 1.29 -0.11 0.00 -0.03 0.00 0.00 56.01 57.66 2day n LEU 25 Cb 0.49 -0.22 -0.05 0.00 -2.33 0.00 0.00 43.42 41.32 2day n LEU 25 CO 0.51 -1.01 -0.54 -0.67 -1.33 0.00 0.00 177.39 174.36 2day n ASP 26 N -4.60 1.85 -0.51 -1.43 2.03 -1.26 -4.25 116.55 108.39 2day n ASP 26 Ca 0.01 0.51 0.39 0.00 0.52 0.00 0.00 54.79 56.23 2day n ASP 26 Cb 0.17 -0.86 0.62 0.00 -0.72 0.00 0.00 41.12 40.32 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 -4.52 -0.01 -4.26 -0.67 1.02 -1.21 -4.17 120.64 106.82 2day n GLU 27 Ca -0.18 0.91 -0.28 0.00 -0.02 0.00 0.00 57.16 57.59 2day n GLU 27 Cb 0.45 -1.99 -0.10 0.00 -0.02 0.00 0.00 31.44 29.79 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 -7.55 2.99 -0.03 -4.62 1.98 0.47 -3.64 118.68 108.28 2day s LEU 28 Ca -0.05 -0.49 0.00 0.00 -2.89 0.00 0.00 54.13 50.71 2day s LEU 28 Cb 0.22 -1.74 0.03 0.00 0.66 0.00 0.00 46.19 45.37 2day s LEU 28 CO 0.69 0.14 0.01 -1.10 -1.89 0.00 0.00 176.35 174.20 2day s GLN 29 N -2.52 0.25 -0.03 1.98 -0.21 -0.33 -4.72 119.66 114.08 2day s GLN 29 Ca 0.23 0.12 0.06 0.00 0.02 0.00 0.00 55.36 55.79 2day s GLN 29 Cb -0.10 -0.49 -0.01 0.00 1.00 0.00 0.00 33.01 33.41 2day s GLN 29 CO 0.14 -0.17 -0.21 0.08 -2.12 0.00 0.00 175.29 173.02 2day s VAL 30 N 1.20 1.68 -0.41 1.09 1.01 -1.26 -0.37 120.40 123.33 2day s VAL 30 Ca -0.07 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.00 2day s VAL 30 Cb -0.13 -1.41 0.11 0.00 0.00 0.00 0.00 36.38 34.95 2day s VAL 30 CO -0.02 0.48 0.20 -0.63 0.00 0.00 0.00 175.10 175.12 2day s ILE 31 N -0.29 3.15 -0.89 2.22 1.09 -0.81 -5.03 121.20 120.64 2day s ILE 31 Ca 0.03 -2.18 -0.33 0.00 -1.10 0.00 0.00 60.65 57.06 2day s ILE 31 Cb -0.10 -3.17 -0.21 0.00 -1.06 0.00 0.00 42.46 37.91 2day s ILE 31 CO 0.01 -0.69 2.59 0.29 -0.10 0.00 0.00 174.94 177.03 2day n LYS 32 N 4.44 0.03 -1.39 2.79 4.76 -1.26 -3.95 118.16 123.59 2day n LYS 32 Ca -0.00 0.00 -0.54 0.00 -2.87 0.00 0.00 58.31 54.90 2day n LYS 32 Cb 0.41 -1.55 -0.09 0.00 -1.84 0.00 0.00 35.03 31.96 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 6.67 0.29 3.51 0.72 0.00 -1.26 -4.85 105.19 110.28 2day n GLY 33 Ca 0.63 1.00 -0.42 0.00 0.00 0.00 0.00 46.02 47.23 2day n GLY 33 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2day s ASN 34 N 6.73 6.22 0.00 1.61 2.47 -1.26 -4.82 114.94 125.89 2day s ASN 34 Ca 1.13 -0.81 0.00 0.00 0.42 0.00 0.00 52.86 53.60 2day s ASN 34 Cb -1.08 -2.51 0.00 0.00 -1.45 0.00 0.00 41.25 36.21 2day s ASN 34 CO 0.55 -1.64 0.00 0.61 -3.72 0.00 0.00 177.10 172.91 2day n GLY 35 N 5.52 2.91 0.13 1.21 0.00 -1.26 -4.70 105.19 109.00 2day n GLY 35 Ca 0.05 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.30 2day n GLY 35 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2day h ARG 36 N 0.00 0.00 -1.05 1.61 -0.00 -1.88 -3.16 114.38 109.90 2day h ARG 36 Ca 0.00 0.00 -0.35 0.00 -0.50 0.00 0.00 59.98 59.13 2day h ARG 36 Cb 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 29.97 29.77 2day h ARG 36 CO 0.00 0.62 0.45 -2.37 0.00 0.00 0.00 179.97 178.67 2day n THR 37 N -3.44 2.52 -3.74 2.04 5.66 -1.26 -4.81 114.28 111.24 2day n THR 37 Ca 0.00 -1.36 -0.20 0.00 -3.05 0.00 0.00 64.05 59.44 2day n THR 37 Cb 0.71 -0.74 -0.18 0.00 -1.55 0.00 0.00 70.33 68.57 2day n THR 37 CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 2day s SER 38 N -0.49 1.12 0.26 1.09 0.15 -1.20 -5.14 113.70 109.50 2day s SER 38 Ca 0.38 0.01 -0.30 0.00 0.70 0.00 0.00 55.95 56.74 2day s SER 38 Cb 0.31 -0.24 -0.09 0.00 -1.71 0.00 0.00 66.02 64.29 2day s SER 38 CO 0.06 -0.21 1.26 -2.16 1.20 0.00 0.00 173.24 173.40 2day s PRO 39 N 1.89 4.43 0.65 5.44 0.04 -1.26 -4.76 135.00 141.43 2day s PRO 39 Ca 0.02 2.05 -0.18 0.00 0.04 0.00 0.00 61.00 62.93 2day s PRO 39 Cb -0.12 -3.15 -0.01 0.00 0.04 0.00 0.00 34.50 31.25 2day s PRO 39 CO -0.03 -0.13 1.29 -1.58 0.04 0.00 0.00 177.00 176.58 2day s TRP 40 N -0.57 2.10 0.05 0.56 0.52 0.69 -4.76 118.94 117.53 2day s TRP 40 Ca 0.51 1.49 0.09 0.00 0.02 0.00 0.00 56.10 58.21 2day s TRP 40 Cb -0.36 -3.68 -0.03 0.00 -1.15 0.00 0.00 33.47 28.25 2day s TRP 40 CO 0.44 -2.87 -0.26 -2.00 0.02 0.00 0.00 176.95 172.27 2day s GLU 41 N -3.39 1.71 -0.10 4.98 2.56 -1.25 -0.80 118.70 122.41 2day s GLU 41 Ca 0.82 -1.12 -0.04 0.00 0.00 0.00 0.00 54.97 54.63 2day s GLU 41 Cb -0.37 -1.91 0.05 0.00 2.00 0.00 0.00 34.13 33.89 2day s GLU 41 CO 0.39 0.49 0.22 0.42 -0.56 0.00 0.00 175.26 176.22 2day s ILE 42 N -0.83 -0.11 0.27 -3.70 1.01 -0.25 -1.93 121.20 115.66 2day s ILE 42 Ca 0.11 0.19 0.10 0.00 0.00 0.00 0.00 60.65 61.05 2day s ILE 42 Cb -0.10 -0.35 -0.05 0.00 0.01 0.00 0.00 42.46 41.97 2day s ILE 42 CO 0.02 0.08 -0.05 -0.31 0.00 0.00 0.00 174.94 174.68 2day s TYR 43 N 1.47 2.59 -0.24 3.97 2.02 0.50 -0.60 117.35 127.06 2day s TYR 43 Ca -0.07 -0.26 -0.27 0.00 -0.37 0.00 0.00 57.07 56.10 2day s TYR 43 Cb -0.11 -1.16 0.13 0.00 -0.40 0.00 0.00 41.96 40.42 2day s TYR 43 CO -0.08 0.64 1.03 -1.50 -1.57 0.00 0.00 175.55 174.07 2day s ILE 44 N -2.38 0.00 -0.17 2.71 2.07 -1.10 -1.18 121.20 121.15 2day s ILE 44 Ca 0.31 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.50 2day s ILE 44 Cb -0.06 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.50 2day s ILE 44 CO 0.19 0.00 -0.00 -0.89 -1.91 0.00 0.00 174.94 172.32 2day s THR 45 N -0.23 4.19 0.01 4.00 2.01 -1.24 -1.11 115.64 123.27 2day s THR 45 Ca 0.02 -0.25 0.03 0.00 0.31 0.00 0.00 61.69 61.79 2day s THR 45 Cb -0.03 -2.86 -0.01 0.00 0.01 0.00 0.00 72.50 69.61 2day s THR 45 CO -0.04 0.48 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.52 2day s LEU 46 N 0.39 2.09 0.01 4.42 1.43 -1.22 -5.03 118.68 120.78 2day s LEU 46 Ca -0.02 -0.28 0.04 0.00 -1.03 0.00 0.00 54.13 52.85 2day s LEU 46 Cb -0.14 -0.38 -0.02 0.00 0.03 0.00 0.00 46.19 45.69 2day s LEU 46 CO 0.02 0.02 -0.13 -1.38 0.23 0.00 0.00 176.35 175.10 2day s HIS 47 N -0.55 1.19 -0.29 0.29 -3.43 -1.26 -3.42 115.29 107.80 2day s HIS 47 Ca -0.00 -0.28 -0.29 0.00 -0.80 0.00 0.00 55.06 53.69 2day s HIS 47 Cb -0.05 -0.74 -0.02 0.00 -1.43 0.00 0.00 32.58 30.34 2day s HIS 47 CO 0.00 0.00 1.66 -1.25 -2.00 0.00 0.00 174.74 173.16 2day s PRO 48 N -0.69 3.57 -0.33 -0.38 0.04 -1.26 -4.89 135.00 131.06 2day s PRO 48 Ca 0.03 1.46 -0.02 0.00 0.04 0.00 0.00 61.00 62.52 2day s PRO 48 Cb -0.06 -4.10 0.15 0.00 0.04 0.00 0.00 34.50 30.52 2day s PRO 48 CO 0.00 -1.57 2.30 0.00 0.04 0.00 0.00 177.00 177.77 2day n ALA 49 N 9.27 5.52 -0.03 8.56 0.00 -1.26 -3.95 120.51 138.61 2day n ALA 49 Ca 0.20 -2.01 -0.03 0.00 0.00 0.00 0.00 53.44 51.60 2day n ALA 49 Cb 0.46 -1.62 -0.04 0.00 0.00 0.00 0.00 19.45 18.25 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 0.61 0.41 -1.03 0.00 5.66 -1.26 -4.66 114.28 114.01 2day n THR 50 Ca 0.35 -0.23 -0.17 0.00 -3.05 0.00 0.00 64.05 60.96 2day n THR 50 Cb 0.58 -0.82 -0.02 0.00 -1.55 0.00 0.00 70.33 68.51 2day n THR 50 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2day n ALA 51 N -2.34 5.53 -3.82 1.79 0.00 -1.25 -4.80 120.51 115.62 2day n ALA 51 Ca -0.10 -1.87 -0.30 0.00 0.00 0.00 0.00 53.44 51.17 2day n ALA 51 Cb 0.68 -1.68 -0.06 0.00 0.00 0.00 0.00 19.45 18.39 2day n ALA 51 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2day n GLU 52 N 0.95 -0.83 -3.86 0.00 0.28 -1.26 0.20 120.64 116.11 2day n GLU 52 Ca 0.33 0.09 -0.24 0.00 -0.16 0.00 0.00 57.16 57.19 2day n GLU 52 Cb 0.61 -3.29 -0.07 0.00 1.43 0.00 0.00 31.44 30.11 2day n GLU 52 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2day n ASP 53 N -1.79 0.64 -4.60 -1.84 2.03 -1.26 -4.73 116.55 105.00 2day n ASP 53 Ca -0.01 -0.96 -0.46 0.00 0.52 0.00 0.00 54.79 53.88 2day n ASP 53 Cb 0.40 -1.19 -0.03 0.00 -0.72 0.00 0.00 41.12 39.58 2day n ASP 53 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2day n GLN 54 N -3.67 1.41 -0.00 -0.67 1.13 0.13 -4.90 117.38 110.81 2day n GLN 54 Ca -0.23 0.50 -0.18 0.00 -1.94 0.00 0.00 57.00 55.15 2day n GLN 54 Cb 0.52 -1.97 -0.09 0.00 0.11 0.00 0.00 30.24 28.80 2day n GLN 54 CO 0.00 0.00 0.00 -0.44 -1.44 0.00 0.00 177.06 175.18 2day h ASP 55 N 2.87 0.73 0.24 1.08 3.32 -1.90 -3.35 116.42 119.42 2day h ASP 55 Ca -0.42 -0.70 -0.01 0.00 0.02 0.00 0.00 57.03 55.92 2day h ASP 55 Cb 1.33 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.66 2day h ASP 55 CO 0.67 1.32 -0.12 -1.28 -1.72 0.00 0.00 179.24 178.11 2day h SER 56 N 0.20 -0.28 -3.09 6.45 0.87 -2.00 -3.42 113.55 112.28 2day h SER 56 Ca -0.07 -0.25 -0.57 0.00 -1.23 0.00 0.00 61.79 59.67 2day h SER 56 Cb 1.38 0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 63.36 2day h SER 56 CO 0.14 0.16 0.89 -1.58 -0.53 0.00 0.00 176.83 175.91 2day s GLN 57 N -4.17 4.12 0.06 2.24 0.74 -1.26 -5.02 119.66 116.37 2day s GLN 57 Ca -0.14 1.36 0.04 0.00 0.05 0.00 0.00 55.36 56.68 2day s GLN 57 Cb 0.02 -3.76 -0.04 0.00 1.10 0.00 0.00 33.01 30.32 2day s GLN 57 CO 0.52 -0.84 -0.02 -0.47 -0.55 0.00 0.00 175.29 173.93 2day s TYR 58 N 3.70 2.98 -0.29 1.67 6.14 -1.26 -4.44 117.35 125.85 2day s TYR 58 Ca 0.51 -0.02 -0.18 0.00 0.64 0.00 0.00 57.07 58.02 2day s TYR 58 Cb -0.17 -1.56 0.14 0.00 0.42 0.00 0.00 41.96 40.79 2day s TYR 58 CO 0.15 0.46 0.98 0.54 0.64 0.00 0.00 175.55 178.32 2day s VAL 59 N -1.23 0.00 -0.11 3.14 0.11 -1.26 -4.50 120.40 116.55 2day s VAL 59 Ca 0.23 0.00 -0.33 0.00 -2.93 0.00 0.00 61.98 58.96 2day s VAL 59 Cb -0.12 -1.00 0.13 0.00 -1.53 0.00 0.00 36.38 33.86 2day s VAL 59 CO 0.15 0.00 1.18 0.00 -3.33 0.00 0.00 175.10 173.10 2day s PHE 61 N -2.55 -0.53 -0.27 0.00 -0.12 -1.22 -2.67 117.98 110.61 2day s PHE 61 Ca 0.10 1.14 -0.19 0.00 -0.05 0.00 0.00 56.93 57.93 2day s PHE 61 Cb 0.00 0.24 -0.02 0.00 -0.63 0.00 0.00 43.02 42.61 2day s PHE 61 CO -0.05 -0.40 0.57 0.99 -0.05 0.00 0.00 175.22 176.29 2day s THR 62 N -0.43 5.01 -0.47 -4.49 2.01 -1.15 -3.44 115.64 112.69 2day s THR 62 Ca -0.06 0.91 -0.23 0.00 0.31 0.00 0.00 61.69 62.62 2day s THR 62 Cb -0.03 -3.90 0.03 0.00 0.01 0.00 0.00 72.50 68.61 2day s THR 62 CO 0.04 0.00 0.82 -0.22 -0.69 0.00 0.00 174.62 174.57 2day s LEU 63 N 2.43 4.23 -0.10 4.42 0.20 -0.27 -2.23 118.68 127.38 2day s LEU 63 Ca 0.23 -0.15 -0.10 0.00 0.69 0.00 0.00 54.13 54.80 2day s LEU 63 Cb -0.15 -2.95 -0.05 0.00 -0.43 0.00 0.00 46.19 42.61 2day s LEU 63 CO 0.10 -0.97 0.23 -0.69 -0.29 0.00 0.00 176.35 174.72 2day s VAL 64 N 3.41 5.35 -0.15 1.68 1.01 -0.37 -2.70 120.40 128.64 2day s VAL 64 Ca 0.30 0.41 -0.01 0.00 0.00 0.00 0.00 61.98 62.68 2day s VAL 64 Cb -0.12 -3.51 0.04 0.00 0.00 0.00 0.00 36.38 32.79 2day s VAL 64 CO 0.22 0.58 -0.01 -0.76 0.00 0.00 0.00 175.10 175.13 2day s LEU 65 N -0.83 1.17 -0.63 3.92 1.43 0.23 -2.37 118.68 121.61 2day s LEU 65 Ca 0.17 -0.53 -0.12 0.00 -1.03 0.00 0.00 54.13 52.62 2day s LEU 65 Cb -0.13 -0.68 0.16 0.00 0.03 0.00 0.00 46.19 45.57 2day s LEU 65 CO 0.06 -0.22 0.54 -1.10 0.23 0.00 0.00 176.35 175.86 2day s GLN 66 N 1.80 3.00 -0.39 1.70 -0.21 -0.58 -1.09 119.66 123.89 2day s GLN 66 Ca 0.02 -2.09 -0.29 0.00 0.02 0.00 0.00 55.36 53.02 2day s GLN 66 Cb -0.15 -4.17 0.02 0.00 1.00 0.00 0.00 33.01 29.71 2day s GLN 66 CO -0.07 -1.26 1.17 0.08 -2.12 0.00 0.00 175.29 173.09 2day s VAL 67 N 0.83 4.26 1.16 1.09 1.01 0.02 -1.10 120.40 127.65 2day s VAL 67 Ca 0.11 1.37 -0.18 0.00 0.00 0.00 0.00 61.98 63.28 2day s VAL 67 Cb -0.21 -4.44 0.26 0.00 0.00 0.00 0.00 36.38 32.00 2day s VAL 67 CO -0.03 -0.74 1.11 -2.16 0.00 0.00 0.00 175.10 173.28 2day s PRO 68 N 4.21 -0.85 0.04 2.72 0.04 -1.26 -0.22 135.00 139.67 2day s PRO 68 Ca 0.50 0.07 -0.21 0.00 0.04 0.00 0.00 61.00 61.40 2day s PRO 68 Cb -0.11 -1.63 -0.14 0.00 0.04 0.00 0.00 34.50 32.67 2day s PRO 68 CO 0.25 -3.49 1.39 0.00 0.04 0.00 0.00 177.00 175.19 2day h ALA 69 N -2.43 0.20 -0.93 8.56 0.00 -1.91 -3.12 119.26 119.63 2day h ALA 69 Ca -0.47 -0.27 0.21 0.00 0.00 0.00 0.00 54.91 54.38 2day h ALA 69 Cb 1.30 -0.05 -0.12 0.00 0.00 0.00 0.00 17.79 18.93 2day h ALA 69 CO 0.40 0.00 0.48 0.93 0.00 0.00 0.00 179.25 181.07 2day h GLU 70 N -0.04 0.51 -3.49 0.00 5.08 -1.93 -3.43 114.58 111.27 2day h GLU 70 Ca 0.03 -0.03 -0.39 0.00 -1.00 0.00 0.00 59.36 57.98 2day h GLU 70 Cb 0.55 -0.12 0.07 0.00 0.50 0.00 0.00 28.75 29.75 2day h GLU 70 CO 0.02 0.34 -0.35 0.98 -1.00 0.00 0.00 179.01 179.00 2day n TYR 71 N -4.94 -0.46 0.26 4.33 4.19 -1.18 -1.67 117.16 117.69 2day n TYR 71 Ca 0.23 0.53 0.14 0.00 3.31 0.00 0.00 57.90 62.11 2day n TYR 71 Cb 0.64 -1.12 0.63 0.00 0.49 0.00 0.00 39.34 39.98 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 0.51 0.00 -0.63 2.98 0.13 -1.90 -3.44 132.00 129.65 2day h PRO 72 Ca -0.17 0.00 0.26 0.00 -0.87 0.00 0.00 66.00 65.22 2day h PRO 72 Cb 0.84 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.86 2day h PRO 72 CO 0.32 0.09 0.33 0.72 -0.23 0.00 0.00 178.00 179.24 2day n HIS 73 N -3.26 0.73 -4.93 1.56 8.25 -0.67 -3.93 115.22 112.98 2day n HIS 73 Ca 0.00 0.74 -0.33 0.00 -0.26 0.00 0.00 57.72 57.88 2day n HIS 73 Cb 0.33 -1.18 -0.14 0.00 1.12 0.00 0.00 29.99 30.13 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 -4.96 2.78 0.40 -0.41 -6.30 -1.25 -4.93 118.70 104.02 2day s GLU 74 Ca -0.06 -0.73 -0.25 0.00 -2.50 0.00 0.00 54.97 51.43 2day s GLU 74 Cb 0.21 -2.41 -0.08 0.00 0.00 0.00 0.00 34.13 31.85 2day s GLU 74 CO 0.49 0.45 1.21 0.14 0.02 0.00 0.00 175.26 177.57 2day s VAL 75 N -0.29 2.99 0.15 3.70 -7.23 -1.25 -3.73 120.40 114.73 2day s VAL 75 Ca 0.02 0.84 -0.31 0.00 -1.81 0.00 0.00 61.98 60.73 2day s VAL 75 Cb -0.13 -3.48 -0.08 0.00 0.56 0.00 0.00 36.38 33.25 2day s VAL 75 CO 0.03 0.09 1.34 -2.16 -0.31 0.00 0.00 175.10 174.08 2day s PRO 76 N -2.28 4.36 -0.05 4.82 0.04 -1.26 -4.71 135.00 135.92 2day s PRO 76 Ca 0.57 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 63.35 2day s PRO 76 Cb -0.33 -3.23 -0.08 0.00 0.04 0.00 0.00 34.50 30.90 2day s PRO 76 CO 0.42 -0.34 2.05 -1.14 0.04 0.00 0.00 177.00 178.03 2day s GLN 77 N 0.56 3.80 -0.21 4.56 2.00 -0.26 -4.74 119.66 125.37 2day s GLN 77 Ca 0.61 2.41 -0.15 0.00 -2.00 0.00 0.00 55.36 56.23 2day s GLN 77 Cb -0.36 -4.23 -0.04 0.00 0.80 0.00 0.00 33.01 29.17 2day s GLN 77 CO 0.34 -1.35 0.34 0.42 -0.50 0.00 0.00 175.29 174.54 2day s ILE 78 N 5.77 5.24 0.04 -2.34 1.01 -1.26 -1.53 121.20 128.13 2day s ILE 78 Ca 0.92 0.58 -0.13 0.00 0.00 0.00 0.00 60.65 62.03 2day s ILE 78 Cb -0.39 -3.67 0.02 0.00 0.01 0.00 0.00 42.46 38.42 2day s ILE 78 CO 0.39 0.28 0.28 -0.44 0.00 0.00 0.00 174.94 175.45 2day s SER 79 N 1.04 -0.09 -0.04 3.58 0.01 -1.00 -5.06 113.70 112.15 2day s SER 79 Ca 0.16 -0.23 0.06 0.00 1.31 0.00 0.00 55.95 57.25 2day s SER 79 Cb -0.14 0.34 -0.02 0.00 0.21 0.00 0.00 66.02 66.41 2day s SER 79 CO 0.07 -0.60 -0.20 -0.63 0.41 0.00 0.00 173.24 172.29 2day s ILE 80 N -2.55 2.56 -0.00 1.44 1.01 -1.26 -1.24 121.20 121.16 2day s ILE 80 Ca -0.05 -0.91 0.08 0.00 0.00 0.00 0.00 60.65 59.77 2day s ILE 80 Cb -0.01 -1.95 -0.02 0.00 0.01 0.00 0.00 42.46 40.49 2day s ILE 80 CO -0.03 0.59 -0.26 -0.13 0.00 0.00 0.00 174.94 175.11 2day s ARG 81 N -0.65 2.05 -1.41 2.79 0.52 -0.95 -4.73 118.95 116.58 2day s ARG 81 Ca 0.10 -0.97 -0.01 0.00 -0.52 0.00 0.00 55.73 54.34 2day s ARG 81 Cb -0.10 -2.04 0.01 0.00 0.52 0.00 0.00 34.95 33.33 2day s ARG 81 CO -0.00 0.55 0.48 0.09 0.02 0.00 0.00 175.30 176.44 2day n ASN 82 N 2.26 -0.60 -4.58 0.23 3.02 -1.26 -2.95 115.26 111.38 2day n ASN 82 Ca -0.16 -0.98 -0.28 0.00 -0.03 0.00 0.00 54.58 53.13 2day n ASN 82 Cb 0.51 -3.19 -0.06 0.00 -0.61 0.00 0.00 39.78 36.43 2day n ASN 82 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2day s PRO 83 N -6.49 2.49 0.36 3.52 0.04 -1.26 -4.58 135.00 129.08 2day s PRO 83 Ca 0.04 -1.12 0.04 0.00 0.04 0.00 0.00 61.00 60.00 2day s PRO 83 Cb -0.02 -5.23 -0.01 0.00 0.04 0.00 0.00 34.50 29.28 2day s PRO 83 CO 0.88 -3.96 0.53 0.50 0.04 0.00 0.00 177.00 174.99 2day s ARG 84 N 6.51 3.14 0.00 4.56 3.52 -1.09 -4.48 118.95 131.11 2day s ARG 84 Ca 0.69 -0.79 0.00 0.00 -0.13 0.00 0.00 55.73 55.50 2day s ARG 84 Cb -0.01 -2.73 0.00 0.00 -1.56 0.00 0.00 34.95 30.65 2day s ARG 84 CO 0.13 -0.01 0.00 0.41 -0.81 0.00 0.00 175.30 175.01 2day n GLY 85 N -1.77 1.27 3.87 8.12 0.00 -1.26 -2.83 105.19 112.59 2day n GLY 85 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 3.26 0.36 0.99 1.43 -1.26 -4.95 118.68 118.50 2day s LEU 86 Ca 0.00 1.38 0.08 0.00 -1.03 0.00 0.00 54.13 54.55 2day s LEU 86 Cb 0.00 -4.42 -0.03 0.00 0.03 0.00 0.00 46.19 41.77 2day s LEU 86 CO 0.00 -0.85 0.31 -0.55 0.23 0.00 0.00 176.35 175.49 2day s SER 87 N -4.18 5.22 0.26 2.29 0.15 -1.26 -4.87 113.70 111.32 2day s SER 87 Ca 0.54 -0.56 -0.09 0.00 0.70 0.00 0.00 55.95 56.55 2day s SER 87 Cb -0.11 -0.87 0.42 0.00 -1.71 0.00 0.00 66.02 63.75 2day s SER 87 CO 0.53 -0.43 1.58 -0.78 1.20 0.00 0.00 173.24 175.35 2day h ASP 88 N 1.19 -0.76 0.25 5.45 3.58 -1.98 0.23 116.42 124.37 2day h ASP 88 Ca -0.44 0.26 0.00 0.00 0.42 0.00 0.00 57.03 57.28 2day h ASP 88 Cb 1.26 0.53 -0.02 0.00 1.72 0.00 0.00 39.33 42.81 2day h ASP 88 CO 0.58 -0.29 -0.28 -0.33 -2.88 0.00 0.00 179.24 176.04 2day h GLU 89 N 0.01 -0.56 0.48 0.28 5.08 -1.99 0.78 114.58 118.66 2day h GLU 89 Ca 0.43 0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.82 2day h GLU 89 Cb 0.69 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 2day h GLU 89 CO -0.89 -0.37 -0.44 1.96 -1.00 0.00 0.00 179.01 178.27 2day h GLN 90 N -0.58 -0.88 -0.22 2.33 4.20 -1.32 -0.13 115.11 118.52 2day h GLN 90 Ca -0.00 0.06 0.05 0.00 0.06 0.00 0.00 58.65 58.82 2day h GLN 90 Cb 0.54 0.20 -0.07 0.00 0.30 0.00 0.00 27.48 28.45 2day h GLN 90 CO -0.08 -0.59 -0.40 0.82 -0.67 0.00 0.00 178.83 177.91 2day h ILE 91 N -0.92 0.16 -0.49 2.54 2.04 -0.59 -1.14 117.51 119.10 2day h ILE 91 Ca -0.05 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.91 2day h ILE 91 Cb 0.80 0.16 -0.08 0.00 -0.74 0.00 0.00 36.82 36.95 2day h ILE 91 CO -0.04 0.00 -0.03 -0.74 0.00 0.00 0.00 178.15 177.34 2day h HIS 92 N -0.42 -0.08 0.02 1.37 2.76 -0.71 -2.31 115.15 115.78 2day h HIS 92 Ca 0.10 0.04 0.03 0.00 -2.20 0.00 0.00 60.37 58.34 2day h HIS 92 Cb 0.60 0.11 -0.05 0.00 1.55 0.00 0.00 27.41 29.62 2day h HIS 92 CO -0.51 -0.14 -0.38 1.15 -1.30 0.00 0.00 177.93 176.75 2day h THR 93 N 0.09 0.20 -1.23 6.26 2.02 -0.05 0.14 112.91 120.34 2day h THR 93 Ca 0.25 0.00 0.35 0.00 0.77 0.00 0.00 66.41 67.78 2day h THR 93 Cb 0.38 0.20 -0.06 0.00 -1.74 0.00 0.00 68.15 66.93 2day h THR 93 CO -0.43 0.00 0.87 0.40 0.37 0.00 0.00 175.52 176.72 2day h ILE 94 N -0.55 0.38 0.00 3.11 2.04 -0.70 -0.64 117.51 121.15 2day h ILE 94 Ca 0.05 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.88 2day h ILE 94 Cb 0.63 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.00 2day h ILE 94 CO -0.29 0.01 0.00 0.18 0.00 0.00 0.00 178.15 178.06 2day n LEU 95 N -4.27 0.16 -0.33 1.44 4.77 -0.09 -3.03 117.00 115.65 2day n LEU 95 Ca 0.28 0.55 0.12 0.00 -0.03 0.00 0.00 56.01 56.93 2day n LEU 95 Cb 1.25 -0.47 0.25 0.00 -2.33 0.00 0.00 43.42 42.12 2day n LEU 95 CO 0.37 -0.47 0.73 0.00 -1.33 0.00 0.00 177.39 176.69 2day n GLN 96 N -1.90 -0.08 0.00 3.23 10.64 -0.47 -0.34 117.38 128.46 2day n GLN 96 Ca 0.00 1.43 0.00 0.00 -1.83 0.00 0.00 57.00 56.60 2day n GLN 96 Cb 0.00 -2.24 0.00 0.00 -0.86 0.00 0.00 30.24 27.14 2day n GLN 96 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 2day n VAL 97 N -5.44 0.00 -0.27 -0.39 0.31 -0.28 -2.82 118.33 109.45 2day n VAL 97 Ca 0.21 1.35 0.07 0.00 -0.01 0.00 0.00 64.34 65.96 2day n VAL 97 Cb 0.67 -2.20 0.19 0.00 -0.91 0.00 0.00 33.84 31.60 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 -0.20 -0.92 7.52 3.38 -1.24 -0.57 115.31 123.28 2day h LEU 98 Ca 0.00 0.19 0.22 0.00 0.09 0.00 0.00 57.88 58.38 2day h LEU 98 Cb 0.00 0.30 -0.17 0.00 0.09 0.00 0.00 40.66 40.88 2day h LEU 98 CO 0.00 -0.15 -0.09 0.61 0.09 0.00 0.00 178.44 178.89 2day n GLY 99 N -1.40 -1.38 0.11 0.83 0.00 0.54 -0.65 105.19 103.23 2day n GLY 99 Ca 0.16 0.94 -0.12 0.00 0.00 0.00 0.00 46.02 46.99 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 -0.13 -1.04 1.61 -0.00 -0.96 -3.22 115.15 111.41 2day h HIS 100 Ca 0.50 -0.00 0.38 0.00 -0.00 0.00 0.00 60.37 61.25 2day h HIS 100 Cb 0.93 0.04 -0.16 0.00 -0.00 0.00 0.00 27.41 28.22 2day h HIS 100 CO -0.58 0.37 0.59 0.28 -0.00 0.00 0.00 177.93 178.59 2day h VAL 101 N -0.73 0.15 0.15 5.26 2.07 -0.62 0.47 116.25 123.00 2day h VAL 101 Ca -0.01 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.46 2day h VAL 101 Cb 0.55 -0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.25 2day h VAL 101 CO 0.02 0.03 -0.52 0.00 0.02 0.00 0.00 177.57 177.12 2day h ALA 102 N 1.88 -0.99 -0.61 1.67 0.00 -1.13 -1.72 119.26 118.37 2day h ALA 102 Ca 0.79 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.58 2day h ALA 102 Cb 2.03 0.88 -0.03 0.00 0.00 0.00 0.00 17.79 20.66 2day h ALA 102 CO -0.65 -1.13 0.34 0.87 0.00 0.00 0.00 179.25 178.68 2day h LYS 103 N -0.77 0.83 0.00 0.00 1.57 -1.07 -0.86 116.57 116.27 2day h LYS 103 Ca -0.01 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2day h LYS 103 Cb 0.77 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.91 2day h LYS 103 CO -0.27 0.60 0.00 0.00 -0.57 0.00 0.00 179.45 179.21 2day h ALA 104 N 1.54 1.00 -0.73 3.86 0.00 -0.44 -2.36 119.26 122.13 2day h ALA 104 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 54.91 54.69 2day h ALA 104 Cb 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.38 2day h ALA 104 CO -0.04 0.00 -0.94 0.41 0.00 0.00 0.00 179.25 178.68 2day n GLY 105 N -1.15 4.46 3.86 0.00 0.00 -0.34 -5.07 105.19 106.96 2day n GLY 105 Ca -0.02 -2.04 -0.31 0.00 0.00 0.00 0.00 46.02 43.66 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 -3.64 3.82 0.00 0.99 1.43 -0.89 -3.89 118.68 116.51 2day s LEU 106 Ca 0.41 1.24 0.00 0.00 -1.03 0.00 0.00 54.13 54.75 2day s LEU 106 Cb 0.38 -4.13 0.00 0.00 0.03 0.00 0.00 46.19 42.48 2day s LEU 106 CO -0.01 -0.41 0.00 0.61 0.23 0.00 0.00 176.35 176.77 2day n GLY 107 N -1.23 3.07 3.27 -3.19 0.00 -1.26 -4.96 105.19 100.89 2day n GLY 107 Ca 0.03 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.59 0.15 0.13 2.61 -4.23 -1.25 -4.96 115.64 106.50 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 -2.52 -0.16 0.00 1.34 0.00 0.00 72.50 71.17 2day s THR 108 CO 0.00 0.00 1.33 0.00 -0.54 0.00 0.00 174.62 175.41 2day n ALA 109 N -0.45 -0.43 0.00 3.99 0.00 -1.26 -4.85 120.51 117.51 2day n ALA 109 Ca 0.03 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.95 2day n ALA 109 Cb 0.65 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.98 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 2.40 0.45 -0.18 0.00 3.85 -1.26 -4.84 117.12 117.54 2day n MET 110 Ca 0.17 0.00 -0.05 0.00 -1.00 0.00 0.00 57.70 56.82 2day n MET 110 Cb 0.23 -0.67 -0.04 0.00 -1.05 0.00 0.00 33.22 31.68 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 -1.58 -0.45 -0.23 3.17 4.77 -1.26 0.67 117.00 122.09 2day n LEU 111 Ca 0.00 1.03 -0.01 0.00 -0.03 0.00 0.00 56.01 57.00 2day n LEU 111 Cb 0.17 -0.24 0.06 0.00 -2.33 0.00 0.00 43.42 41.08 2day n LEU 111 CO 0.00 -0.75 0.69 0.22 -1.33 0.00 0.00 177.39 176.22 2day h TYR 112 N 0.00 -0.55 0.57 -1.77 3.20 -1.95 -1.23 116.97 115.23 2day h TYR 112 Ca 0.07 0.07 -0.03 0.00 3.14 0.00 0.00 58.73 61.98 2day h TYR 112 Cb 0.17 0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.79 2day h TYR 112 CO -0.70 -0.33 -0.31 1.49 -1.64 0.00 0.00 178.16 176.67 2day h GLU 113 N -0.05 -0.78 -0.89 1.82 4.81 -0.09 -2.32 114.58 117.09 2day h GLU 113 Ca 0.31 0.05 0.24 0.00 -0.13 0.00 0.00 59.36 59.82 2day h GLU 113 Cb 0.53 0.18 -0.17 0.00 0.63 0.00 0.00 28.75 29.92 2day h GLU 113 CO -0.71 -0.52 -0.01 1.28 -0.73 0.00 0.00 179.01 178.32 2day n LEU 114 N -4.29 -0.13 0.20 1.64 4.77 0.76 0.37 117.00 120.32 2day n LEU 114 Ca -0.10 1.51 -0.15 0.00 -0.03 0.00 0.00 56.01 57.25 2day n LEU 114 Cb 0.33 -0.54 -0.07 0.00 -2.33 0.00 0.00 43.42 40.80 2day n LEU 114 CO 0.24 -1.52 0.73 0.40 -1.33 0.00 0.00 177.39 175.91 2day h ILE 115 N 0.00 0.57 -0.92 -0.08 2.04 -1.05 -2.97 117.51 115.10 2day h ILE 115 Ca 0.52 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.51 2day h ILE 115 Cb 1.05 0.57 -0.14 0.00 -0.74 0.00 0.00 36.82 37.56 2day h ILE 115 CO -0.85 0.00 -0.40 -0.62 0.00 0.00 0.00 178.15 176.28 2day n GLU 116 N -5.33 -0.26 -0.22 2.37 1.02 0.16 0.88 120.64 119.25 2day n GLU 116 Ca -0.10 1.41 0.02 0.00 -0.02 0.00 0.00 57.16 58.48 2day n GLU 116 Cb 0.24 -2.09 0.14 0.00 -0.02 0.00 0.00 31.44 29.71 2day n GLU 116 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2day h LYS 117 N 0.00 0.34 -0.72 3.49 1.79 -1.36 -1.88 116.57 118.23 2day h LYS 117 Ca 0.28 -0.02 0.25 0.00 -2.18 0.00 0.00 60.65 58.97 2day h LYS 117 Cb 0.51 -0.08 -0.13 0.00 -1.58 0.00 0.00 32.23 30.95 2day h LYS 117 CO -0.90 0.23 0.18 0.41 -1.08 0.00 0.00 179.45 178.29 2day n GLY 118 N -1.32 -0.79 0.07 3.86 0.00 0.25 -0.19 105.19 107.08 2day n GLY 118 Ca 0.11 0.66 -0.12 0.00 0.00 0.00 0.00 46.02 46.67 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 -0.47 1.61 1.57 -1.38 -3.33 116.57 114.57 2day h LYS 119 Ca 0.52 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.35 2day h LYS 119 Cb 1.22 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.45 2day h LYS 119 CO -0.63 0.76 -0.56 0.93 -0.57 0.00 0.00 179.45 179.39 2day h GLU 120 N -1.00 -0.34 -0.95 3.15 4.39 -0.37 0.77 114.58 120.22 2day h GLU 120 Ca -0.03 0.02 0.18 0.00 0.34 0.00 0.00 59.36 59.87 2day h GLU 120 Cb 0.81 0.08 -0.18 0.00 -0.10 0.00 0.00 28.75 29.36 2day h GLU 120 CO -0.02 -0.23 -0.26 0.82 -1.16 0.00 0.00 179.01 178.16 2day h ILE 121 N -0.35 0.04 0.58 3.13 2.04 -0.99 -0.56 117.51 121.39 2day h ILE 121 Ca 0.09 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.92 2day h ILE 121 Cb 0.58 0.04 0.01 0.00 -0.74 0.00 0.00 36.82 36.70 2day h ILE 121 CO -0.64 0.00 -0.28 -0.07 0.00 0.00 0.00 178.15 177.17 2day h LEU 122 N -0.00 -0.66 -9.48 1.44 3.38 -1.21 -3.43 115.31 105.35 2day h LEU 122 Ca 0.44 -0.03 -0.61 0.00 0.09 0.00 0.00 57.88 57.77 2day h LEU 122 Cb 0.68 0.17 0.07 0.00 0.09 0.00 0.00 40.66 41.67 2day h LEU 122 CO -0.98 -0.36 0.56 -1.20 0.09 0.00 0.00 178.44 176.56 2day n SER 123 N -5.36 2.39 -4.93 -0.43 7.64 0.10 -4.80 113.62 108.23 2day n SER 123 Ca -0.12 1.13 -0.27 0.00 1.01 0.00 0.00 58.87 60.62 2day n SER 123 Cb 0.34 -1.35 -0.03 0.00 -1.01 0.00 0.00 64.21 62.16 2day n SER 123 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2day s GLY 124 N 0.39 1.71 0.00 0.23 0.00 -1.26 -4.87 107.32 103.51 2day s GLY 124 Ca 0.74 -0.81 0.15 0.00 0.00 0.00 0.00 44.72 44.79 2day s GLY 124 CO 0.47 -0.76 1.32 -1.55 0.00 0.00 0.00 173.10 172.58 2day n PRO 125 N -0.91 0.49 -1.51 2.90 -0.04 -1.26 -4.86 135.00 129.82 2day n PRO 125 Ca -0.04 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 62.97 2day n PRO 125 Cb 0.54 -1.48 -0.01 0.00 -0.04 0.00 0.00 33.50 32.51 2day n PRO 125 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2day n SER 126 N -0.98 0.11 -3.63 3.54 3.41 -1.26 -4.99 113.62 109.82 2day n SER 126 Ca 0.11 1.10 -0.12 0.00 -0.26 0.00 0.00 58.87 59.71 2day n SER 126 Cb 0.05 -1.16 -0.07 0.00 -0.26 0.00 0.00 64.21 62.77 2day n SER 126 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2day s SER 127 N -0.77 -0.60 0.00 4.04 1.04 -1.26 -5.19 113.70 110.95 2day s SER 127 Ca 0.61 1.17 0.00 0.00 0.48 0.00 0.00 55.95 58.21 2day s SER 127 Cb -0.74 1.18 0.00 0.00 0.10 0.00 0.00 66.02 66.56 2day s SER 127 CO 0.58 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 175.21