#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 -0.62 -0.29 1.61 1.04 -1.26 -5.14 113.70 109.04 2day s SER 2 Ca 0.00 0.59 -0.23 0.00 0.48 0.00 0.00 55.95 56.79 2day s SER 2 Cb 0.00 1.60 -0.00 0.00 0.10 0.00 0.00 66.02 67.72 2day s SER 2 CO 0.00 -0.12 0.76 -0.44 0.98 0.00 0.00 173.24 174.42 2day s SER 3 N 2.70 6.65 0.00 7.02 0.01 -1.26 -4.95 113.70 123.87 2day s SER 3 Ca 0.01 0.67 0.00 0.00 1.31 0.00 0.00 55.95 57.94 2day s SER 3 Cb -0.09 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.75 2day s SER 3 CO -0.15 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 173.54 2day n GLY 4 N 4.18 4.11 3.59 3.44 0.00 -1.26 -5.12 105.19 114.12 2day n GLY 4 Ca 0.03 -1.11 -0.38 0.00 0.00 0.00 0.00 46.02 44.55 2day n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2day n SER 5 N 0.00 0.47 -4.55 1.61 2.88 -1.26 -5.01 113.62 107.77 2day n SER 5 Ca 0.00 0.82 -0.25 0.00 -1.33 0.00 0.00 58.87 58.11 2day n SER 5 Cb 0.00 -1.34 -0.09 0.00 -0.75 0.00 0.00 64.21 62.03 2day n SER 5 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2day s SER 6 N -1.17 4.07 -0.06 -3.46 0.15 -1.26 -5.09 113.70 106.88 2day s SER 6 Ca 0.73 -0.73 -0.05 0.00 0.70 0.00 0.00 55.95 56.60 2day s SER 6 Cb -0.44 -0.60 -0.02 0.00 -1.71 0.00 0.00 66.02 63.26 2day s SER 6 CO 0.50 0.07 -0.10 0.61 1.20 0.00 0.00 173.24 175.52 2day n GLY 7 N -0.31 -0.66 3.81 9.45 0.00 -1.26 -4.96 105.19 111.27 2day n GLY 7 Ca -0.09 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.60 4.21 -0.50 1.61 2.12 -1.26 -5.03 118.70 118.25 2day s GLU 8 Ca -0.08 0.78 -0.24 0.00 0.36 0.00 0.00 54.97 55.79 2day s GLU 8 Cb 0.01 -3.07 0.03 0.00 0.26 0.00 0.00 34.13 31.37 2day s GLU 8 CO 0.12 0.52 0.88 -1.21 -0.54 0.00 0.00 175.26 175.03 2day s GLU 9 N -1.56 3.39 -0.36 4.30 2.02 -1.26 -4.89 118.70 120.33 2day s GLU 9 Ca 0.36 -0.15 0.06 0.00 0.02 0.00 0.00 54.97 55.26 2day s GLU 9 Cb -0.18 -4.00 0.50 0.00 0.10 0.00 0.00 34.13 30.56 2day s GLU 9 CO 0.21 -1.31 1.53 -0.40 0.02 0.00 0.00 175.26 175.31 2day n ASP 10 N 7.13 3.77 -4.66 -0.19 5.68 -1.26 -5.00 116.55 122.02 2day n ASP 10 Ca 0.03 -3.78 -0.43 0.00 -0.50 0.00 0.00 54.79 50.11 2day n ASP 10 Cb 0.48 -0.65 -0.02 0.00 -1.14 0.00 0.00 41.12 39.79 2day n ASP 10 CO 0.00 0.00 0.00 0.86 -1.33 0.00 0.00 177.20 176.73 2day s TRP 11 N -3.41 2.85 -0.62 2.11 -0.11 -1.26 -4.89 118.94 113.61 2day s TRP 11 Ca 0.50 1.02 0.25 0.00 1.22 0.00 0.00 56.10 59.08 2day s TRP 11 Cb 0.43 -3.53 0.59 0.00 -1.50 0.00 0.00 33.47 29.46 2day s TRP 11 CO 0.01 -1.64 1.64 -0.24 -4.62 0.00 0.00 176.95 172.10 2day h VAL 12 N 5.54 0.00 0.73 5.86 3.04 -1.94 -3.32 116.25 126.15 2day h VAL 12 Ca -0.26 -0.64 -0.03 0.00 -1.01 0.00 0.00 66.70 64.77 2day h VAL 12 Cb 1.10 1.55 -0.01 0.00 -2.01 0.00 0.00 31.29 31.93 2day h VAL 12 CO 0.98 0.00 -0.50 0.25 -1.01 0.00 0.00 177.57 177.28 2day h LEU 13 N 0.00 -1.30 0.00 3.16 5.85 -1.91 -0.11 115.31 121.00 2day h LEU 13 Ca 0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2day h LEU 13 Cb 0.82 0.39 0.00 0.00 0.37 0.00 0.00 40.66 42.24 2day h LEU 13 CO 0.00 -0.74 0.00 -0.81 -0.34 0.00 0.00 178.44 176.55 2day n PRO 14 N -5.62 0.04 0.04 5.25 -0.04 -1.26 -2.14 135.00 131.28 2day n PRO 14 Ca -0.14 0.24 -0.22 0.00 -0.04 0.00 0.00 63.50 63.33 2day n PRO 14 Cb 0.50 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.31 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 0.52 0.18 3.54 0.02 -1.50 -3.37 113.55 112.94 2day h SER 15 Ca 0.00 -0.93 -0.27 0.00 -0.84 0.00 0.00 61.79 59.75 2day h SER 15 Cb 0.23 -0.17 0.02 0.00 0.14 0.00 0.00 62.40 62.61 2day h SER 15 CO 0.00 1.79 -1.09 -0.08 -1.14 0.00 0.00 176.83 176.31 2day h GLU 16 N 0.04 0.57 -0.86 3.45 4.57 -0.86 -3.29 114.58 118.19 2day h GLU 16 Ca -0.37 -0.68 0.23 0.00 -1.18 0.00 0.00 59.36 57.36 2day h GLU 16 Cb 2.03 0.21 -0.14 0.00 -0.16 0.00 0.00 28.75 30.69 2day h GLU 16 CO 0.13 1.28 0.18 0.28 -1.18 0.00 0.00 179.01 179.70 2day h VAL 17 N 0.29 0.30 -1.04 0.32 2.07 -1.60 0.47 116.25 117.06 2day h VAL 17 Ca -0.13 -0.06 0.27 0.00 0.82 0.00 0.00 66.70 67.60 2day h VAL 17 Cb 1.75 0.11 -0.11 0.00 -1.52 0.00 0.00 31.29 31.52 2day h VAL 17 CO 0.20 0.03 0.65 -0.33 0.02 0.00 0.00 177.57 178.14 2day h GLU 18 N 0.18 0.43 -0.05 1.57 4.39 -1.71 0.25 114.58 119.64 2day h GLU 18 Ca 0.53 -0.03 -0.24 0.00 0.34 0.00 0.00 59.36 59.96 2day h GLU 18 Cb 1.05 -0.10 0.01 0.00 -0.10 0.00 0.00 28.75 29.62 2day h GLU 18 CO -0.67 0.28 -0.93 0.28 -1.16 0.00 0.00 179.01 176.82 2day h VAL 19 N 0.44 1.30 -0.13 3.13 2.07 -0.26 -2.71 116.25 120.08 2day h VAL 19 Ca 0.64 -2.18 -0.05 0.00 0.82 0.00 0.00 66.70 65.92 2day h VAL 19 Cb 1.47 2.24 -0.01 0.00 -1.52 0.00 0.00 31.29 33.48 2day h VAL 19 CO -0.39 0.68 -0.15 -0.07 0.02 0.00 0.00 177.57 177.65 2day h LEU 20 N 0.41 0.20 -0.06 2.57 3.38 -0.15 -2.63 115.31 119.04 2day h LEU 20 Ca -0.09 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.72 2day h LEU 20 Cb 1.57 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 42.27 2day h LEU 20 CO 0.18 0.38 -0.40 -0.33 0.09 0.00 0.00 178.44 178.36 2day h GLU 21 N 0.20 0.38 -0.79 1.13 5.08 -0.89 0.83 114.58 120.53 2day h GLU 21 Ca 0.04 -0.33 0.10 0.00 -1.00 0.00 0.00 59.36 58.17 2day h GLU 21 Cb 0.40 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.67 2day h GLU 21 CO 0.02 0.98 0.51 0.66 -1.00 0.00 0.00 179.01 180.19 2day h SER 22 N -0.12 0.65 0.00 1.42 4.64 -1.29 0.34 113.55 119.19 2day h SER 22 Ca -0.03 0.02 -0.08 0.00 -0.47 0.00 0.00 61.79 61.22 2day h SER 22 Cb 1.07 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.03 2day h SER 22 CO 0.08 0.39 -0.92 -0.38 -0.87 0.00 0.00 176.83 175.13 2day n ILE 23 N -4.50 1.46 -1.16 0.95 5.41 -1.01 -4.43 119.36 116.08 2day n ILE 23 Ca 0.13 0.11 -0.22 0.00 1.00 0.00 0.00 62.75 63.77 2day n ILE 23 Cb 0.33 -2.28 0.01 0.00 -0.71 0.00 0.00 39.64 36.98 2day n ILE 23 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 2day n TYR 24 N -4.52 1.75 -0.16 1.39 4.01 0.29 -4.76 117.16 115.16 2day n TYR 24 Ca -0.17 -2.07 -0.04 0.00 -0.16 0.00 0.00 57.90 55.46 2day n TYR 24 Cb 0.45 -1.16 -0.04 0.00 -0.31 0.00 0.00 39.34 38.28 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 0.40 -0.40 -0.12 7.72 4.77 0.12 -1.18 117.00 128.30 2day n LEU 25 Ca 0.40 1.10 -0.25 0.00 -0.03 0.00 0.00 56.01 57.23 2day n LEU 25 Cb 0.57 -0.30 -0.11 0.00 -2.33 0.00 0.00 43.42 41.25 2day n LEU 25 CO 0.41 -0.76 -0.92 -0.90 -1.33 0.00 0.00 177.39 173.88 2day n ASP 26 N -3.84 1.91 -0.26 -1.43 5.68 -1.26 -4.36 116.55 112.99 2day n ASP 26 Ca 0.01 0.37 0.17 0.00 -0.50 0.00 0.00 54.79 54.84 2day n ASP 26 Cb 0.10 -0.89 0.32 0.00 -1.14 0.00 0.00 41.12 39.50 2day n ASP 26 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2day n GLU 27 N -4.31 -0.05 -4.91 0.11 1.02 -1.21 -4.19 120.64 107.10 2day n GLU 27 Ca -0.42 1.11 -0.30 0.00 -0.02 0.00 0.00 57.16 57.54 2day n GLU 27 Cb 0.78 -1.85 -0.15 0.00 -0.02 0.00 0.00 31.44 30.20 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 -9.87 2.16 0.00 -4.62 0.20 -0.33 -3.77 118.68 102.45 2day s LEU 28 Ca -0.09 -0.58 0.08 0.00 0.69 0.00 0.00 54.13 54.23 2day s LEU 28 Cb 0.24 -1.26 -0.02 0.00 -0.43 0.00 0.00 46.19 44.71 2day s LEU 28 CO 0.60 0.25 -0.25 -1.58 -0.29 0.00 0.00 176.35 175.08 2day s GLN 29 N -1.20 2.04 -0.08 1.98 0.74 -0.62 -4.58 119.66 117.94 2day s GLN 29 Ca 0.11 -0.97 0.03 0.00 0.05 0.00 0.00 55.36 54.58 2day s GLN 29 Cb -0.10 -2.05 0.01 0.00 1.10 0.00 0.00 33.01 31.97 2day s GLN 29 CO 0.02 0.55 -0.18 0.08 -0.55 0.00 0.00 175.29 175.21 2day s VAL 30 N -0.69 1.56 -0.35 1.34 1.01 -1.26 -1.85 120.40 120.16 2day s VAL 30 Ca 0.11 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.30 2day s VAL 30 Cb -0.10 -1.38 0.05 0.00 0.00 0.00 0.00 36.38 34.95 2day s VAL 30 CO 0.00 0.45 0.11 -0.63 0.00 0.00 0.00 175.10 175.04 2day s ILE 31 N 0.53 3.68 0.41 2.22 1.01 -0.66 -5.05 121.20 123.35 2day s ILE 31 Ca -0.16 -1.26 -0.26 0.00 0.00 0.00 0.00 60.65 58.97 2day s ILE 31 Cb -0.17 -3.14 -0.09 0.00 0.01 0.00 0.00 42.46 39.08 2day s ILE 31 CO 0.06 -0.24 1.34 -0.54 0.00 0.00 0.00 174.94 175.56 2day s LYS 32 N 1.37 3.92 0.42 2.79 1.02 -1.26 -3.69 119.74 124.31 2day s LYS 32 Ca -0.01 2.23 -0.05 0.00 0.02 0.00 0.00 55.97 58.16 2day s LYS 32 Cb -0.20 -2.75 -0.04 0.00 -0.52 0.00 0.00 37.83 34.32 2day s LYS 32 CO 0.02 -0.56 0.70 0.20 -0.92 0.00 0.00 175.35 174.79 2day s GLY 33 N -0.66 1.56 0.17 -3.33 0.00 -1.26 -4.99 107.32 98.80 2day s GLY 33 Ca 0.57 -0.56 -0.22 0.00 0.00 0.00 0.00 44.72 44.50 2day s GLY 33 CO 0.51 -0.43 1.59 -0.57 0.00 0.00 0.00 173.10 174.21 2day h ASN 34 N 0.63 -1.12 0.00 1.64 -1.24 -1.92 -3.47 115.58 110.10 2day h ASN 34 Ca -0.48 0.20 0.00 0.00 0.71 0.00 0.00 56.30 56.74 2day h ASN 34 Cb 1.20 0.54 0.00 0.00 0.73 0.00 0.00 38.32 40.79 2day h ASN 34 CO 0.62 -0.32 0.00 0.61 -1.29 0.00 0.00 177.43 177.06 2day n GLY 35 N -1.42 -0.67 3.96 1.57 0.00 -1.26 -5.12 105.19 102.25 2day n GLY 35 Ca 0.02 0.62 -0.24 0.00 0.00 0.00 0.00 46.02 46.42 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 1.65 1.96 0.00 1.61 1.81 -1.26 -4.17 118.95 120.54 2day s ARG 36 Ca 0.00 -0.72 0.00 0.00 -1.72 0.00 0.00 55.73 53.29 2day s ARG 36 Cb 0.00 -2.28 0.00 0.00 -0.45 0.00 0.00 34.95 32.22 2day s ARG 36 CO 0.00 -1.28 0.00 -2.37 -0.68 0.00 0.00 175.30 170.97 2day n THR 37 N -2.81 0.00 -3.95 0.02 5.66 -1.26 -4.84 114.28 107.09 2day n THR 37 Ca 0.11 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.81 2day n THR 37 Cb 0.60 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.23 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 -1.80 3.72 0.64 1.09 0.01 -1.26 -5.04 113.70 111.05 2day s SER 38 Ca 0.00 -1.09 -0.16 0.00 1.31 0.00 0.00 55.95 56.01 2day s SER 38 Cb 0.00 -1.19 -0.01 0.00 0.21 0.00 0.00 66.02 65.03 2day s SER 38 CO 0.00 -0.21 1.11 -2.16 0.41 0.00 0.00 173.24 172.39 2day s PRO 39 N 1.40 2.90 0.23 12.44 0.04 -1.26 -4.79 135.00 145.96 2day s PRO 39 Ca -0.05 1.43 -0.01 0.00 0.04 0.00 0.00 61.00 62.41 2day s PRO 39 Cb -0.18 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 2day s PRO 39 CO -0.07 -1.18 0.43 -1.58 0.04 0.00 0.00 177.00 174.65 2day s TRP 40 N -2.24 3.48 -0.06 0.56 0.52 0.11 -4.69 118.94 116.62 2day s TRP 40 Ca 0.68 0.38 0.03 0.00 0.02 0.00 0.00 56.10 57.21 2day s TRP 40 Cb -0.21 -1.89 0.01 0.00 -1.15 0.00 0.00 33.47 30.23 2day s TRP 40 CO 0.39 0.32 -0.15 -2.00 0.02 0.00 0.00 176.95 175.53 2day s GLU 41 N -3.49 1.84 0.01 4.98 2.56 -1.24 -1.81 118.70 121.54 2day s GLU 41 Ca 0.39 -0.51 0.05 0.00 0.00 0.00 0.00 54.97 54.91 2day s GLU 41 Cb -0.11 -1.52 -0.02 0.00 2.00 0.00 0.00 34.13 34.49 2day s GLU 41 CO 0.30 0.10 -0.15 0.42 -0.56 0.00 0.00 175.26 175.36 2day s ILE 42 N 0.46 1.22 0.21 -3.70 1.01 -0.67 -1.65 121.20 118.07 2day s ILE 42 Ca -0.12 -0.79 0.06 0.00 0.00 0.00 0.00 60.65 59.81 2day s ILE 42 Cb -0.15 -1.04 -0.05 0.00 0.01 0.00 0.00 42.46 41.23 2day s ILE 42 CO 0.04 0.24 -0.10 -0.31 0.00 0.00 0.00 174.94 174.81 2day s TYR 43 N -0.52 1.65 -0.19 3.97 2.02 -0.77 -0.77 117.35 122.74 2day s TYR 43 Ca 0.05 -0.68 -0.31 0.00 -0.37 0.00 0.00 57.07 55.77 2day s TYR 43 Cb -0.07 -0.84 0.15 0.00 -0.40 0.00 0.00 41.96 40.80 2day s TYR 43 CO 0.00 0.24 1.14 -1.50 -1.57 0.00 0.00 175.55 173.86 2day s ILE 44 N -3.10 0.00 -0.07 2.71 2.07 -0.92 -1.59 121.20 120.29 2day s ILE 44 Ca 0.23 0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.50 2day s ILE 44 Cb 0.02 -1.00 -0.02 0.00 0.13 0.00 0.00 42.46 41.59 2day s ILE 44 CO 0.07 0.00 -0.16 -0.89 -1.91 0.00 0.00 174.94 172.05 2day s THR 45 N -1.54 2.88 0.24 4.00 2.01 -1.25 0.59 115.64 122.58 2day s THR 45 Ca 0.04 -0.77 0.05 0.00 0.31 0.00 0.00 61.69 61.32 2day s THR 45 Cb -0.01 -2.14 -0.05 0.00 0.01 0.00 0.00 72.50 70.31 2day s THR 45 CO -0.03 0.57 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.68 2day s LEU 46 N -0.31 2.30 0.02 4.42 1.43 -1.09 -4.99 118.68 120.45 2day s LEU 46 Ca 0.02 -1.20 -0.10 0.00 -1.03 0.00 0.00 54.13 51.82 2day s LEU 46 Cb -0.13 -0.39 0.01 0.00 0.03 0.00 0.00 46.19 45.71 2day s LEU 46 CO 0.03 -0.45 0.22 -1.00 0.23 0.00 0.00 176.35 175.37 2day s HIS 47 N -3.28 -0.01 -0.56 0.29 3.76 -1.26 -3.68 115.29 110.54 2day s HIS 47 Ca 0.28 -0.11 -0.27 0.00 -0.15 0.00 0.00 55.06 54.82 2day s HIS 47 Cb 0.05 0.00 -0.02 0.00 1.11 0.00 0.00 32.58 33.72 2day s HIS 47 CO 0.09 -0.40 1.83 -1.25 -0.85 0.00 0.00 174.74 174.17 2day s PRO 48 N -2.04 2.76 -0.13 8.40 0.04 -1.26 -4.86 135.00 137.92 2day s PRO 48 Ca -0.09 0.74 -0.00 0.00 0.04 0.00 0.00 61.00 61.68 2day s PRO 48 Cb -0.03 -4.35 0.09 0.00 0.04 0.00 0.00 34.50 30.25 2day s PRO 48 CO -0.01 -2.57 1.97 0.00 0.04 0.00 0.00 177.00 176.44 2day n ALA 49 N 12.26 4.40 -0.05 8.56 0.00 -1.26 -3.74 120.51 140.67 2day n ALA 49 Ca 0.21 -0.67 -0.07 0.00 0.00 0.00 0.00 53.44 52.91 2day n ALA 49 Cb 0.51 -1.15 -0.06 0.00 0.00 0.00 0.00 19.45 18.75 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 0.99 0.66 -2.98 0.00 5.66 -1.26 -4.99 114.28 112.36 2day n THR 50 Ca 0.12 -0.32 -0.39 0.00 -3.05 0.00 0.00 64.05 60.41 2day n THR 50 Cb 0.54 -0.84 -0.06 0.00 -1.55 0.00 0.00 70.33 68.42 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 -2.23 3.43 -0.00 1.79 0.00 -1.25 -4.99 121.76 118.51 2day s ALA 51 Ca -0.11 0.35 -0.23 0.00 0.00 0.00 0.00 51.96 51.97 2day s ALA 51 Cb 0.03 -2.97 -0.19 0.00 0.00 0.00 0.00 23.12 20.00 2day s ALA 51 CO 0.32 0.25 1.23 0.93 0.00 0.00 0.00 175.76 178.49 2day h GLU 52 N 4.57 0.20 -5.54 0.00 5.08 -1.94 -3.45 114.58 113.50 2day h GLU 52 Ca -0.46 -0.13 -0.54 0.00 -1.00 0.00 0.00 59.36 57.23 2day h GLU 52 Cb 1.21 0.02 -0.30 0.00 0.50 0.00 0.00 28.75 30.18 2day h GLU 52 CO 0.67 0.72 -0.83 -0.51 -1.00 0.00 0.00 179.01 178.05 2day s ASP 53 N -6.05 1.98 -0.29 1.42 1.01 -1.26 -5.04 116.67 108.44 2day s ASP 53 Ca -0.15 -0.31 0.10 0.00 0.71 0.00 0.00 52.55 52.90 2day s ASP 53 Cb 0.03 -0.27 0.47 0.00 1.01 0.00 0.00 42.92 44.16 2day s ASP 53 CO 0.73 0.20 1.17 0.00 0.21 0.00 0.00 175.17 177.47 2day n GLN 54 N 2.74 3.23 -0.01 8.23 10.64 -1.26 -4.82 117.38 136.12 2day n GLN 54 Ca -0.15 -4.05 -0.11 0.00 -1.83 0.00 0.00 57.00 50.86 2day n GLN 54 Cb 0.54 -2.14 -0.09 0.00 -0.86 0.00 0.00 30.24 27.69 2day n GLN 54 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.06 174.79 2day h ASP 55 N 2.28 -0.07 0.17 2.61 3.32 -2.02 -3.36 116.42 119.36 2day h ASP 55 Ca 0.26 -0.56 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 2day h ASP 55 Cb 1.46 0.02 0.00 0.00 0.22 0.00 0.00 39.33 41.03 2day h ASP 55 CO 0.65 0.63 -0.08 -1.28 -1.72 0.00 0.00 179.24 177.43 2day h SER 56 N -0.88 -0.20 -0.94 6.45 0.87 -2.06 -3.45 113.55 113.35 2day h SER 56 Ca -0.01 -0.06 -0.64 0.00 -1.23 0.00 0.00 61.79 59.84 2day h SER 56 Cb 0.62 0.05 -0.12 0.00 -0.44 0.00 0.00 62.40 62.52 2day h SER 56 CO 0.01 -0.06 -0.53 -1.10 -0.53 0.00 0.00 176.83 174.63 2day s GLN 57 N -5.80 2.12 0.21 2.24 -0.21 -1.26 -5.16 119.66 111.80 2day s GLN 57 Ca -0.14 -2.22 -0.22 0.00 0.02 0.00 0.00 55.36 52.79 2day s GLN 57 Cb 0.05 -1.65 0.05 0.00 1.00 0.00 0.00 33.01 32.45 2day s GLN 57 CO 0.64 -0.25 0.69 1.52 -2.12 0.00 0.00 175.29 175.77 2day s TYR 58 N -2.79 -0.35 -0.27 0.91 -0.85 -1.26 -4.56 117.35 108.18 2day s TYR 58 Ca 0.21 0.02 -0.25 0.00 -0.52 0.00 0.00 57.07 56.53 2day s TYR 58 Cb 0.04 0.63 0.12 0.00 0.38 0.00 0.00 41.96 43.14 2day s TYR 58 CO 0.11 -1.01 1.04 0.54 -1.52 0.00 0.00 175.55 174.71 2day s VAL 59 N -3.77 0.00 -0.23 -3.49 0.11 -1.26 -4.49 120.40 107.26 2day s VAL 59 Ca 0.06 0.00 -0.26 0.00 -2.93 0.00 0.00 61.98 58.85 2day s VAL 59 Cb -0.03 -1.00 0.10 0.00 -1.53 0.00 0.00 36.38 33.91 2day s VAL 59 CO -0.03 0.00 0.87 0.00 -3.33 0.00 0.00 175.10 172.61 2day s PHE 61 N -0.08 0.33 -0.31 0.00 -0.12 -1.24 -2.69 117.98 113.88 2day s PHE 61 Ca -0.00 -0.64 -0.11 0.00 -0.05 0.00 0.00 56.93 56.13 2day s PHE 61 Cb -0.04 -0.24 -0.02 0.00 -0.63 0.00 0.00 43.02 42.09 2day s PHE 61 CO -0.00 -0.22 0.18 0.99 -0.05 0.00 0.00 175.22 176.11 2day s THR 62 N -1.98 4.88 -0.40 -4.49 2.01 -1.16 -2.68 115.64 111.81 2day s THR 62 Ca -0.11 -0.25 -0.28 0.00 0.31 0.00 0.00 61.69 61.36 2day s THR 62 Cb -0.06 -3.45 0.02 0.00 0.01 0.00 0.00 72.50 69.02 2day s THR 62 CO -0.03 0.09 1.06 -0.22 -0.69 0.00 0.00 174.62 174.83 2day s LEU 63 N 1.67 3.84 -0.21 4.42 0.20 0.20 -2.27 118.68 126.53 2day s LEU 63 Ca 0.06 0.65 -0.07 0.00 0.69 0.00 0.00 54.13 55.46 2day s LEU 63 Cb -0.17 -3.46 -0.03 0.00 -0.43 0.00 0.00 46.19 42.10 2day s LEU 63 CO 0.08 -1.03 0.05 -0.69 -0.29 0.00 0.00 176.35 174.47 2day s VAL 64 N 3.93 4.44 -0.10 1.68 1.01 0.81 -2.17 120.40 130.00 2day s VAL 64 Ca 0.44 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 62.29 2day s VAL 64 Cb -0.10 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 2day s VAL 64 CO 0.23 0.41 -0.14 -0.76 0.00 0.00 0.00 175.10 174.84 2day s LEU 65 N 0.89 2.68 -0.51 3.92 1.02 0.05 -0.41 118.68 126.32 2day s LEU 65 Ca 0.03 -0.30 -0.02 0.00 0.02 0.00 0.00 54.13 53.86 2day s LEU 65 Cb -0.14 -1.58 0.13 0.00 0.02 0.00 0.00 46.19 44.63 2day s LEU 65 CO 0.02 0.23 0.31 -1.10 0.02 0.00 0.00 176.35 175.83 2day s GLN 66 N -0.02 2.23 -0.46 1.70 1.11 0.09 -1.67 119.66 122.64 2day s GLN 66 Ca -0.04 -2.20 -0.25 0.00 0.01 0.00 0.00 55.36 52.88 2day s GLN 66 Cb -0.14 -3.62 0.03 0.00 -1.01 0.00 0.00 33.01 28.27 2day s GLN 66 CO 0.04 -1.12 0.91 0.08 0.01 0.00 0.00 175.29 175.22 2day s VAL 67 N 0.49 4.49 0.00 1.09 1.01 -0.75 -1.18 120.40 125.55 2day s VAL 67 Ca 0.13 0.72 0.00 0.00 0.00 0.00 0.00 61.98 62.82 2day s VAL 67 Cb -0.22 -4.42 0.00 0.00 0.00 0.00 0.00 36.38 31.74 2day s VAL 67 CO -0.04 -0.82 0.00 -0.81 0.00 0.00 0.00 175.10 173.43 2day n PRO 68 N 7.12 -0.34 0.06 2.72 -0.04 -1.26 -0.72 135.00 142.55 2day n PRO 68 Ca 0.06 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.33 2day n PRO 68 Cb 0.48 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.80 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 -2.00 0.26 -0.55 0.55 0.00 -1.96 -3.36 119.26 112.21 2day h ALA 69 Ca 0.00 -1.16 0.04 0.00 0.00 0.00 0.00 54.91 53.79 2day h ALA 69 Cb 0.00 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2day h ALA 69 CO 0.00 1.13 0.31 0.93 0.00 0.00 0.00 179.25 181.62 2day h GLU 70 N 0.08 0.59 -2.50 0.00 3.07 -1.94 -3.45 114.58 110.43 2day h GLU 70 Ca -0.30 -0.04 -0.28 0.00 -0.50 0.00 0.00 59.36 58.25 2day h GLU 70 Cb 2.05 -0.13 0.05 0.00 -0.84 0.00 0.00 28.75 29.88 2day h GLU 70 CO 0.16 0.39 -0.26 0.98 -1.40 0.00 0.00 179.01 178.88 2day n TYR 71 N -4.82 -0.35 0.25 4.33 4.19 -1.25 -2.13 117.16 117.39 2day n TYR 71 Ca 0.05 0.37 0.12 0.00 3.31 0.00 0.00 57.90 61.76 2day n TYR 71 Cb 0.11 -0.80 0.58 0.00 0.49 0.00 0.00 39.34 39.72 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 0.36 0.00 -0.59 2.98 0.13 -1.91 -3.44 132.00 129.53 2day h PRO 72 Ca -0.12 0.00 0.24 0.00 -0.87 0.00 0.00 66.00 65.25 2day h PRO 72 Cb 0.60 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.63 2day h PRO 72 CO 0.23 0.15 0.32 0.72 -0.23 0.00 0.00 178.00 179.19 2day n HIS 73 N -3.36 0.67 -4.88 1.56 8.25 -0.90 -3.91 115.22 112.64 2day n HIS 73 Ca -0.00 0.67 -0.33 0.00 -0.26 0.00 0.00 57.72 57.80 2day n HIS 73 Cb 0.36 -1.11 -0.14 0.00 1.12 0.00 0.00 29.99 30.22 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 -4.87 2.76 0.34 -0.41 -6.30 -1.25 -4.94 118.70 104.02 2day s GLU 74 Ca -0.05 -0.70 -0.28 0.00 -2.50 0.00 0.00 54.97 51.44 2day s GLU 74 Cb 0.20 -2.44 -0.09 0.00 0.00 0.00 0.00 34.13 31.79 2day s GLU 74 CO 0.45 0.49 1.20 0.14 0.02 0.00 0.00 175.26 177.57 2day s VAL 75 N -0.39 3.08 0.11 3.70 -7.23 -1.25 -3.78 120.40 114.63 2day s VAL 75 Ca 0.04 1.03 -0.31 0.00 -1.81 0.00 0.00 61.98 60.93 2day s VAL 75 Cb -0.12 -3.63 -0.08 0.00 0.56 0.00 0.00 36.38 33.11 2day s VAL 75 CO 0.02 0.20 1.36 -2.16 -0.31 0.00 0.00 175.10 174.22 2day s PRO 76 N -1.85 4.33 -0.21 4.82 0.04 -1.26 -4.82 135.00 136.06 2day s PRO 76 Ca 0.50 2.03 -0.29 0.00 0.04 0.00 0.00 61.00 63.29 2day s PRO 76 Cb -0.35 -3.27 -0.04 0.00 0.04 0.00 0.00 34.50 30.89 2day s PRO 76 CO 0.45 -0.42 1.86 -0.65 0.04 0.00 0.00 177.00 178.28 2day s GLN 77 N 1.12 3.58 -0.07 4.56 -1.52 -0.33 -4.70 119.66 122.30 2day s GLN 77 Ca 0.64 1.84 -0.22 0.00 -1.95 0.00 0.00 55.36 55.67 2day s GLN 77 Cb -0.36 -4.17 -0.04 0.00 -0.22 0.00 0.00 33.01 28.22 2day s GLN 77 CO 0.30 -1.57 0.64 0.42 -0.25 0.00 0.00 175.29 174.83 2day s ILE 78 N 6.24 5.07 0.07 1.08 1.09 -1.26 -0.73 121.20 132.76 2day s ILE 78 Ca 0.83 1.32 -0.06 0.00 -1.10 0.00 0.00 60.65 61.64 2day s ILE 78 Cb -0.29 -3.98 -0.02 0.00 -1.06 0.00 0.00 42.46 37.11 2day s ILE 78 CO 0.33 0.28 0.11 -0.94 -0.10 0.00 0.00 174.94 174.62 2day s SER 79 N 0.69 0.24 -0.04 3.58 1.04 0.45 -5.02 113.70 114.65 2day s SER 79 Ca 0.34 -0.74 0.05 0.00 0.48 0.00 0.00 55.95 56.09 2day s SER 79 Cb -0.17 0.28 -0.01 0.00 0.10 0.00 0.00 66.02 66.22 2day s SER 79 CO 0.16 -0.65 -0.20 -0.63 0.98 0.00 0.00 173.24 172.91 2day s ILE 80 N -3.66 1.59 0.23 -1.02 1.01 -1.26 -0.13 121.20 117.97 2day s ILE 80 Ca 0.04 -0.83 0.11 0.00 0.00 0.00 0.00 60.65 59.97 2day s ILE 80 Cb 0.05 -1.35 -0.05 0.00 0.01 0.00 0.00 42.46 41.12 2day s ILE 80 CO -0.10 0.45 -0.20 -0.13 0.00 0.00 0.00 174.94 174.97 2day s ARG 81 N -0.18 1.54 -1.46 2.79 0.52 -0.96 -4.77 118.95 116.42 2day s ARG 81 Ca 0.00 -1.64 -0.06 0.00 -0.52 0.00 0.00 55.73 53.52 2day s ARG 81 Cb -0.11 -1.64 0.01 0.00 0.52 0.00 0.00 34.95 33.73 2day s ARG 81 CO 0.01 0.32 0.20 0.09 0.02 0.00 0.00 175.30 175.94 2day n ASN 82 N -0.24 -0.19 -4.57 0.23 3.02 -1.26 -3.01 115.26 109.24 2day n ASN 82 Ca -0.08 -1.23 -0.27 0.00 -0.03 0.00 0.00 54.58 52.97 2day n ASN 82 Cb 0.59 -1.91 -0.05 0.00 -0.61 0.00 0.00 39.78 37.79 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 -7.21 2.54 0.05 3.52 0.04 -1.26 -4.54 135.00 128.13 2day s PRO 83 Ca 0.09 -0.54 0.01 0.00 0.04 0.00 0.00 61.00 60.60 2day s PRO 83 Cb -0.05 -5.11 -0.04 0.00 0.04 0.00 0.00 34.50 29.34 2day s PRO 83 CO 0.97 -3.55 0.12 0.50 0.04 0.00 0.00 177.00 175.08 2day s ARG 84 N 6.86 3.12 0.00 4.56 6.06 -1.09 -4.45 118.95 134.00 2day s ARG 84 Ca 0.70 -0.54 0.00 0.00 -2.50 0.00 0.00 55.73 53.38 2day s ARG 84 Cb -0.05 -2.87 0.00 0.00 0.06 0.00 0.00 34.95 32.09 2day s ARG 84 CO 0.03 0.61 0.00 0.41 -2.50 0.00 0.00 175.30 173.85 2day n GLY 85 N 0.63 2.10 3.97 8.12 0.00 -1.26 -2.00 105.19 116.74 2day n GLY 85 Ca -0.09 -0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.59 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 3.05 0.27 0.99 1.43 -1.26 -4.89 118.68 118.26 2day s LEU 86 Ca 0.00 0.00 0.11 0.00 -1.03 0.00 0.00 54.13 53.21 2day s LEU 86 Cb 0.00 -2.63 -0.05 0.00 0.03 0.00 0.00 46.19 43.54 2day s LEU 86 CO 0.00 -1.53 -0.18 -0.94 0.23 0.00 0.00 176.35 173.92 2day s SER 87 N -4.56 3.37 0.23 2.29 1.04 -1.26 -4.96 113.70 109.85 2day s SER 87 Ca 0.61 -1.04 -0.16 0.00 0.48 0.00 0.00 55.95 55.85 2day s SER 87 Cb -0.09 -0.27 0.26 0.00 0.10 0.00 0.00 66.02 66.03 2day s SER 87 CO 0.42 -0.02 1.56 -0.78 0.98 0.00 0.00 173.24 175.41 2day h ASP 88 N 2.32 -1.27 0.47 7.02 1.82 -1.99 0.11 116.42 124.90 2day h ASP 88 Ca -0.40 0.29 -0.01 0.00 -0.39 0.00 0.00 57.03 56.52 2day h ASP 88 Cb 1.25 0.69 -0.02 0.00 0.68 0.00 0.00 39.33 41.93 2day h ASP 88 CO 0.61 -0.30 -0.49 -0.33 -1.61 0.00 0.00 179.24 177.12 2day h GLU 89 N -0.03 -0.93 -0.24 0.28 5.08 -2.00 -2.61 114.58 114.12 2day h GLU 89 Ca 0.35 0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.81 2day h GLU 89 Cb 0.61 0.21 -0.07 0.00 0.50 0.00 0.00 28.75 30.00 2day h GLU 89 CO -0.93 -0.62 -0.53 1.96 -1.00 0.00 0.00 179.01 177.89 2day h GLN 90 N -0.97 -0.48 -0.15 2.33 1.08 -1.57 -1.94 115.11 113.42 2day h GLN 90 Ca -0.06 0.03 0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2day h GLN 90 Cb 0.84 0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 28.37 2day h GLN 90 CO -0.07 -0.32 -0.09 -0.89 -0.95 0.00 0.00 178.83 176.51 2day n ILE 91 N -5.42 -0.10 -0.27 2.54 5.41 0.24 -0.71 119.36 121.05 2day n ILE 91 Ca -0.05 1.55 -0.02 0.00 1.00 0.00 0.00 62.75 65.23 2day n ILE 91 Cb 0.37 -2.02 0.04 0.00 -0.71 0.00 0.00 39.64 37.31 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 -0.85 -0.97 1.39 2.76 -1.19 0.38 115.15 116.66 2day h HIS 92 Ca 0.02 0.08 0.30 0.00 -2.20 0.00 0.00 60.37 58.58 2day h HIS 92 Cb 0.06 0.48 -0.15 0.00 1.55 0.00 0.00 27.41 29.36 2day h HIS 92 CO -0.89 -0.38 0.49 1.15 -1.30 0.00 0.00 177.93 176.99 2day h THR 93 N -0.08 0.30 -0.59 6.26 2.02 -0.12 0.54 112.91 121.24 2day h THR 93 Ca 0.30 -0.10 -0.08 0.00 0.77 0.00 0.00 66.41 67.30 2day h THR 93 Cb 0.57 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 2day h THR 93 CO -0.80 0.05 0.08 0.40 0.37 0.00 0.00 175.52 175.62 2day h ILE 94 N 0.30 1.26 -0.53 3.11 2.04 0.62 -2.93 117.51 121.39 2day h ILE 94 Ca 0.69 -1.02 -0.10 0.00 1.00 0.00 0.00 64.86 65.43 2day h ILE 94 Cb 1.53 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 2day h ILE 94 CO -0.62 0.37 -0.08 -0.07 0.00 0.00 0.00 178.15 177.76 2day h LEU 95 N 0.90 0.95 -0.39 1.44 4.07 0.37 -2.65 115.31 119.99 2day h LEU 95 Ca 0.18 -0.29 0.07 0.00 0.08 0.00 0.00 57.88 57.91 2day h LEU 95 Cb 0.45 -0.26 -0.06 0.00 1.08 0.00 0.00 40.66 41.87 2day h LEU 95 CO 0.02 1.05 0.03 1.56 -1.08 0.00 0.00 178.44 180.02 2day h GLN 96 N 0.86 0.14 0.03 1.13 1.08 -0.76 0.81 115.11 118.40 2day h GLN 96 Ca 0.14 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.33 2day h GLN 96 Cb 0.62 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.01 2day h GLN 96 CO 0.04 0.09 -0.02 0.28 -0.95 0.00 0.00 178.83 178.28 2day h VAL 97 N 0.14 0.00 -0.94 -0.54 2.07 -1.43 -3.12 116.25 112.42 2day h VAL 97 Ca 0.19 -0.01 0.16 0.00 0.82 0.00 0.00 66.70 67.87 2day h VAL 97 Cb 0.26 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.86 2day h VAL 97 CO -0.30 0.00 -0.33 -0.07 0.02 0.00 0.00 177.57 176.89 2day h LEU 98 N -0.05 -1.22 -0.91 2.57 3.38 -1.48 0.52 115.31 118.11 2day h LEU 98 Ca -0.00 0.29 0.13 0.00 0.09 0.00 0.00 57.88 58.39 2day h LEU 98 Cb 0.03 0.68 -0.14 0.00 0.09 0.00 0.00 40.66 41.33 2day h LEU 98 CO 0.01 -0.30 -0.44 1.23 0.09 0.00 0.00 178.44 179.03 2day h GLY 99 N -0.02 -0.22 0.86 0.83 0.00 -0.89 0.02 103.07 103.65 2day h GLY 99 Ca 0.37 0.59 -0.02 0.00 0.00 0.00 0.00 47.33 48.27 2day h GLY 99 CO -0.96 -0.14 -0.24 0.84 0.00 0.00 0.00 176.54 176.04 2day h HIS 100 N -0.04 -0.62 -1.01 5.60 -0.00 -0.87 -2.91 115.15 115.30 2day h HIS 100 Ca 0.27 -0.01 0.39 0.00 -0.00 0.00 0.00 60.37 61.02 2day h HIS 100 Cb 0.55 0.21 -0.17 0.00 -0.00 0.00 0.00 27.41 28.00 2day h HIS 100 CO -0.87 -0.32 0.56 0.28 -0.00 0.00 0.00 177.93 177.57 2day h VAL 101 N -0.82 0.11 -0.08 5.26 2.07 -0.33 0.11 116.25 122.56 2day h VAL 101 Ca -0.07 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.45 2day h VAL 101 Cb 0.58 -0.02 -0.06 0.00 -1.52 0.00 0.00 31.29 30.27 2day h VAL 101 CO 0.11 0.02 -0.46 0.00 0.02 0.00 0.00 177.57 177.26 2day h ALA 102 N 1.94 -0.72 -0.67 1.67 0.00 -0.83 -1.92 119.26 118.73 2day h ALA 102 Ca 0.81 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.68 2day h ALA 102 Cb 2.06 0.85 -0.03 0.00 0.00 0.00 0.00 17.79 20.66 2day h ALA 102 CO -0.71 -0.99 0.43 0.87 0.00 0.00 0.00 179.25 178.85 2day h LYS 103 N -0.56 0.90 0.00 0.00 1.57 -0.89 -1.19 116.57 116.39 2day h LYS 103 Ca 0.05 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2day h LYS 103 Cb 0.66 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.78 2day h LYS 103 CO -0.38 0.62 0.25 0.00 -0.57 0.00 0.00 179.45 179.37 2day h ALA 104 N 1.23 1.17 -0.82 3.86 0.00 -0.69 -0.45 119.26 123.55 2day h ALA 104 Ca 0.24 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.70 2day h ALA 104 Cb -0.07 0.00 -0.42 0.00 0.00 0.00 0.00 17.79 17.30 2day h ALA 104 CO -0.05 -0.17 -0.93 0.41 0.00 0.00 0.00 179.25 178.51 2day n GLY 105 N -1.27 4.55 3.89 0.00 0.00 -0.45 -5.08 105.19 106.82 2day n GLY 105 Ca -0.01 -2.10 -0.29 0.00 0.00 0.00 0.00 46.02 43.62 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 3.74 0.00 0.99 1.43 -0.18 -4.08 118.68 116.99 2day s LEU 106 Ca 0.41 1.06 0.00 0.00 -1.03 0.00 0.00 54.13 54.58 2day s LEU 106 Cb 0.39 -3.98 0.00 0.00 0.03 0.00 0.00 46.19 42.63 2day s LEU 106 CO -0.02 -0.47 0.00 0.61 0.23 0.00 0.00 176.35 176.70 2day n GLY 107 N -1.67 2.93 3.27 -3.19 0.00 -1.26 -4.97 105.19 100.29 2day n GLY 107 Ca 0.02 0.00 -0.16 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 -1.94 0.10 0.09 2.61 -4.23 -1.26 -4.91 115.64 106.10 2day s THR 108 Ca 0.00 -2.00 -0.36 0.00 -1.18 0.00 0.00 61.69 58.15 2day s THR 108 Cb 0.00 -2.50 -0.18 0.00 1.34 0.00 0.00 72.50 71.16 2day s THR 108 CO 0.00 0.00 1.14 0.00 -0.54 0.00 0.00 174.62 175.22 2day n ALA 109 N -0.47 -1.97 0.00 3.99 0.00 -1.26 -4.85 120.51 115.94 2day n ALA 109 Ca 0.04 0.53 0.00 0.00 0.00 0.00 0.00 53.44 54.00 2day n ALA 109 Cb 0.64 -1.92 0.00 0.00 0.00 0.00 0.00 19.45 18.17 2day n ALA 109 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2day n MET 110 N 1.88 0.71 -0.30 0.00 3.85 -1.26 -4.84 117.12 117.16 2day n MET 110 Ca 0.18 0.00 -0.08 0.00 -1.00 0.00 0.00 57.70 56.80 2day n MET 110 Cb 0.17 -0.70 -0.07 0.00 -1.05 0.00 0.00 33.22 31.57 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 -1.54 -0.75 -0.22 3.17 4.77 -1.26 0.97 117.00 122.14 2day n LEU 111 Ca 0.00 1.28 -0.01 0.00 -0.03 0.00 0.00 56.01 57.25 2day n LEU 111 Cb 0.20 -0.17 0.06 0.00 -2.33 0.00 0.00 43.42 41.18 2day n LEU 111 CO 0.00 -1.04 0.73 0.22 -1.33 0.00 0.00 177.39 175.97 2day h TYR 112 N 0.00 -0.39 0.90 -1.77 5.03 -1.99 -1.74 116.97 117.02 2day h TYR 112 Ca 0.11 0.06 -0.04 0.00 2.58 0.00 0.00 58.73 61.44 2day h TYR 112 Cb 0.29 0.27 0.00 0.00 1.55 0.00 0.00 36.73 38.84 2day h TYR 112 CO -0.74 -0.29 -0.49 1.49 -1.32 0.00 0.00 178.16 176.81 2day h GLU 113 N -0.02 -1.23 -1.07 1.82 4.81 0.28 -2.49 114.58 116.68 2day h GLU 113 Ca 0.30 0.08 0.42 0.00 -0.13 0.00 0.00 59.36 60.04 2day h GLU 113 Cb 0.48 0.28 -0.17 0.00 0.63 0.00 0.00 28.75 29.97 2day h GLU 113 CO -0.67 -0.82 0.60 -0.07 -0.73 0.00 0.00 179.01 177.33 2day h LEU 114 N -1.28 0.31 0.65 1.64 3.38 -0.30 0.16 115.31 119.88 2day h LEU 114 Ca -0.12 0.24 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 2day h LEU 114 Cb 1.00 0.24 0.01 0.00 0.09 0.00 0.00 40.66 42.00 2day h LEU 114 CO 0.16 -0.38 -0.31 0.40 0.09 0.00 0.00 178.44 178.40 2day h ILE 115 N 0.03 0.20 -1.00 1.22 2.04 -0.93 -3.06 117.51 116.01 2day h ILE 115 Ca 0.85 -0.29 0.36 0.00 1.00 0.00 0.00 64.86 66.78 2day h ILE 115 Cb 2.31 0.26 -0.18 0.00 -0.74 0.00 0.00 36.82 38.47 2day h ILE 115 CO -0.70 0.02 0.33 -0.33 0.00 0.00 0.00 178.15 177.48 2day h GLU 116 N -1.11 0.01 0.73 2.37 5.08 -0.26 0.12 114.58 121.52 2day h GLU 116 Ca -0.09 -0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 2day h GLU 116 Cb 0.71 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 2day h GLU 116 CO 0.15 0.01 -0.49 0.87 -1.00 0.00 0.00 179.01 178.54 2day h LYS 117 N 0.01 -1.12 -1.13 2.33 1.79 -1.37 -2.34 116.57 114.75 2day h LYS 117 Ca 0.75 0.08 0.37 0.00 -2.18 0.00 0.00 60.65 59.67 2day h LYS 117 Cb 1.83 0.25 -0.10 0.00 -1.58 0.00 0.00 32.23 32.64 2day h LYS 117 CO -0.83 -0.75 0.75 0.41 -1.08 0.00 0.00 179.45 177.95 2day n GLY 118 N -1.61 -0.65 0.08 3.86 0.00 0.41 0.14 105.19 107.41 2day n GLY 118 Ca -0.14 0.56 -0.13 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.06 0.00 1.61 1.57 -1.39 -3.18 116.57 115.13 2day h LYS 119 Ca 0.67 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.45 2day h LYS 119 Cb 2.27 0.01 0.00 0.00 0.08 0.00 0.00 32.23 34.60 2day h LYS 119 CO -0.28 0.53 -0.00 0.93 -0.57 0.00 0.00 179.45 180.05 2day h GLU 120 N -0.70 -0.00 -0.94 3.15 3.07 0.14 -3.14 114.58 116.16 2day h GLU 120 Ca -0.01 0.00 0.16 0.00 -0.50 0.00 0.00 59.36 59.02 2day h GLU 120 Cb 0.61 0.00 -0.16 0.00 -0.84 0.00 0.00 28.75 28.36 2day h GLU 120 CO 0.01 0.31 -0.33 0.82 -1.40 0.00 0.00 179.01 178.42 2day h ILE 121 N -0.32 0.03 -0.58 3.13 2.04 -0.51 0.45 117.51 121.76 2day h ILE 121 Ca -0.00 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.94 2day h ILE 121 Cb 0.32 0.03 -0.06 0.00 -0.74 0.00 0.00 36.82 36.37 2day h ILE 121 CO 0.00 0.00 0.24 -0.07 0.00 0.00 0.00 178.15 178.32 2day h LEU 122 N -0.02 0.28-10.24 1.44 3.38 -1.54 -3.42 115.31 105.19 2day h LEU 122 Ca 0.37 0.06 -0.50 0.00 0.09 0.00 0.00 57.88 57.90 2day h LEU 122 Cb 0.63 0.02 0.08 0.00 0.09 0.00 0.00 40.66 41.48 2day h LEU 122 CO -0.96 0.18 0.37 -0.94 0.09 0.00 0.00 178.44 177.19 2day s SER 123 N -5.43 5.56 0.00 -0.43 1.04 0.16 -4.90 113.70 109.69 2day s SER 123 Ca -0.13 1.77 0.00 0.00 0.48 0.00 0.00 55.95 58.07 2day s SER 123 Cb 0.16 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.76 2day s SER 123 CO 0.74 -1.32 0.00 0.61 0.98 0.00 0.00 173.24 174.25 2day n GLY 124 N -1.26 -1.12 3.77 7.32 0.00 -1.26 -4.91 105.19 107.72 2day n GLY 124 Ca 0.08 0.87 -0.37 0.00 0.00 0.00 0.00 46.02 46.60 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 0.00 3.76 1.14 1.61 0.04 -1.26 -5.01 135.00 135.28 2day s PRO 125 Ca 0.00 1.78 -0.12 0.00 0.04 0.00 0.00 61.00 62.69 2day s PRO 125 Cb 0.00 -2.41 0.27 0.00 0.04 0.00 0.00 34.50 32.40 2day s PRO 125 CO 0.00 -0.55 1.04 0.45 0.04 0.00 0.00 177.00 177.98 2day s SER 126 N -1.36 1.13 -0.15 6.66 0.15 -1.26 -5.01 113.70 113.86 2day s SER 126 Ca 0.63 1.63 -0.11 0.00 0.70 0.00 0.00 55.95 58.80 2day s SER 126 Cb -0.29 -2.36 -0.07 0.00 -1.71 0.00 0.00 66.02 61.60 2day s SER 126 CO 0.35 -4.13 -0.26 -1.20 1.20 0.00 0.00 173.24 169.20 2day n SER 127 N -4.88 1.56 0.00 5.45 7.64 -1.26 -5.35 113.62 116.78 2day n SER 127 Ca 0.04 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.18 2day n SER 127 Cb 0.54 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 2day n SER 127 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64