#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 0.54 0.08 1.61 1.04 -1.26 -5.06 113.70 110.66 2day s SER 2 Ca 0.00 1.30 0.04 0.00 0.48 0.00 0.00 55.95 57.77 2day s SER 2 Cb 0.00 -1.99 -0.03 0.00 0.10 0.00 0.00 66.02 64.10 2day s SER 2 CO 0.00 -4.44 -0.11 -0.44 0.98 0.00 0.00 173.24 169.24 2day s SER 3 N -2.75 1.40 -0.05 7.02 0.01 -1.26 -5.05 113.70 113.03 2day s SER 3 Ca 0.68 -0.73 0.02 0.00 1.31 0.00 0.00 55.95 57.23 2day s SER 3 Cb -0.22 -0.00 0.05 0.00 0.21 0.00 0.00 66.02 66.06 2day s SER 3 CO 0.63 -0.21 0.64 0.61 0.41 0.00 0.00 173.24 175.32 2day n GLY 4 N 0.86 -0.63 3.03 3.44 0.00 -1.26 -5.16 105.19 105.48 2day n GLY 4 Ca -0.18 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 2day n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2day s SER 5 N -0.14 0.63 -0.28 1.61 0.15 -1.26 -5.09 113.70 109.32 2day s SER 5 Ca 0.01 -0.53 -0.29 0.00 0.70 0.00 0.00 55.95 55.84 2day s SER 5 Cb 0.06 0.06 -0.06 0.00 -1.71 0.00 0.00 66.02 64.36 2day s SER 5 CO -0.02 -0.24 2.25 -1.54 1.20 0.00 0.00 173.24 174.90 2day n SER 6 N 1.51 2.93 -0.10 5.45 3.41 -1.26 -4.86 113.62 120.70 2day n SER 6 Ca -0.23 0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.52 2day n SER 6 Cb 0.55 -1.51 0.00 0.00 -0.26 0.00 0.00 64.21 62.99 2day n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2day n GLY 7 N 5.95 3.62 3.41 5.00 0.00 -1.26 -5.14 105.19 116.76 2day n GLY 7 Ca 0.33 -1.00 -0.37 0.00 0.00 0.00 0.00 46.02 44.98 2day n GLY 7 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2day n GLU 8 N 0.00 0.30 -4.43 1.61 0.00 -1.26 -5.00 120.64 111.86 2day n GLU 8 Ca 0.00 0.13 -0.24 0.00 0.00 0.00 0.00 57.16 57.05 2day n GLU 8 Cb 0.00 -1.63 -0.10 0.00 0.00 0.00 0.00 31.44 29.72 2day n GLU 8 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 2day s GLU 9 N -2.28 1.80 0.36 3.44 0.41 -1.26 -5.15 118.70 116.02 2day s GLU 9 Ca 0.64 -1.68 -0.17 0.00 -0.41 0.00 0.00 54.97 53.35 2day s GLU 9 Cb -0.39 -1.86 0.05 0.00 -1.78 0.00 0.00 34.13 30.16 2day s GLU 9 CO 0.59 0.34 0.80 -0.51 -0.49 0.00 0.00 175.26 176.00 2day s ASP 10 N -3.47 -0.02 -0.28 -0.19 1.11 -1.26 -5.16 116.67 107.40 2day s ASP 10 Ca 0.30 -1.07 -0.03 0.00 0.18 0.00 0.00 52.55 51.93 2day s ASP 10 Cb -0.06 0.82 0.17 0.00 1.07 0.00 0.00 42.92 44.92 2day s ASP 10 CO 0.16 -1.61 0.55 0.86 1.18 0.00 0.00 175.17 176.31 2day s TRP 11 N -2.43 -1.38 0.20 4.23 -0.11 -1.26 -5.02 118.94 113.17 2day s TRP 11 Ca 0.16 1.61 0.16 0.00 1.22 0.00 0.00 56.10 59.24 2day s TRP 11 Cb -0.05 0.48 0.54 0.00 -1.50 0.00 0.00 33.47 32.94 2day s TRP 11 CO 0.11 -0.80 1.68 -0.24 -4.62 0.00 0.00 176.95 173.07 2day h VAL 12 N 6.04 1.09 -0.09 5.86 3.04 -1.99 -3.24 116.25 126.96 2day h VAL 12 Ca -0.21 -1.76 0.03 0.00 -1.01 0.00 0.00 66.70 63.74 2day h VAL 12 Cb 1.15 2.02 -0.06 0.00 -2.01 0.00 0.00 31.29 32.39 2day h VAL 12 CO 0.24 0.46 -0.53 0.25 -1.01 0.00 0.00 177.57 176.98 2day h LEU 13 N 0.00 -1.67 0.00 3.16 5.85 -1.95 0.14 115.31 120.84 2day h LEU 13 Ca -0.00 0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.91 2day h LEU 13 Cb 0.98 0.65 0.00 0.00 0.37 0.00 0.00 40.66 42.66 2day h LEU 13 CO 0.06 -0.49 0.00 -0.81 -0.34 0.00 0.00 178.44 176.87 2day n PRO 14 N -5.36 0.08 0.03 5.25 -0.04 -1.24 -2.17 135.00 131.53 2day n PRO 14 Ca -0.06 0.22 -0.22 0.00 -0.04 0.00 0.00 63.50 63.40 2day n PRO 14 Cb 0.37 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.19 2day n PRO 14 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2day h SER 15 N 0.00 0.44 0.02 3.54 0.87 -0.84 -3.35 113.55 114.24 2day h SER 15 Ca 0.00 -0.88 -0.19 0.00 -1.23 0.00 0.00 61.79 59.49 2day h SER 15 Cb 0.21 -0.14 0.02 0.00 -0.44 0.00 0.00 62.40 62.04 2day h SER 15 CO 0.00 1.61 -0.77 -0.08 -0.53 0.00 0.00 176.83 177.06 2day h GLU 16 N -0.25 0.48 -0.94 2.24 4.57 -0.87 -3.29 114.58 116.51 2day h GLU 16 Ca -0.28 -0.55 0.28 0.00 -1.18 0.00 0.00 59.36 57.64 2day h GLU 16 Cb 1.80 0.16 -0.16 0.00 -0.16 0.00 0.00 28.75 30.39 2day h GLU 16 CO 0.10 1.19 0.26 0.28 -1.18 0.00 0.00 179.01 179.65 2day h VAL 17 N 0.00 0.17 -0.98 0.32 2.07 -1.62 0.75 116.25 116.96 2day h VAL 17 Ca -0.10 -0.04 0.18 0.00 0.82 0.00 0.00 66.70 67.55 2day h VAL 17 Cb 1.48 0.04 -0.10 0.00 -1.52 0.00 0.00 31.29 31.18 2day h VAL 17 CO 0.15 0.02 0.59 -0.33 0.02 0.00 0.00 177.57 178.02 2day h GLU 18 N 0.12 0.75 0.08 1.57 4.39 -1.69 0.84 114.58 120.64 2day h GLU 18 Ca 0.63 -0.04 -0.19 0.00 0.34 0.00 0.00 59.36 60.10 2day h GLU 18 Cb 1.39 -0.17 0.02 0.00 -0.10 0.00 0.00 28.75 29.89 2day h GLU 18 CO -0.75 0.49 -0.78 0.28 -1.16 0.00 0.00 179.01 177.09 2day h VAL 19 N 0.77 1.45 0.31 3.13 2.07 0.27 -3.30 116.25 120.94 2day h VAL 19 Ca 0.55 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.74 2day h VAL 19 Cb 0.82 2.89 -0.03 0.00 -1.52 0.00 0.00 31.29 33.45 2day h VAL 19 CO -0.37 0.67 -0.38 -0.07 0.02 0.00 0.00 177.57 177.44 2day h LEU 20 N -0.18 -1.06 -0.93 2.57 3.38 -0.26 -2.45 115.31 116.38 2day h LEU 20 Ca -0.12 0.10 0.23 0.00 0.09 0.00 0.00 57.88 58.18 2day h LEU 20 Cb 1.54 0.37 -0.17 0.00 0.09 0.00 0.00 40.66 42.49 2day h LEU 20 CO 0.15 -0.51 -0.04 -0.33 0.09 0.00 0.00 178.44 177.80 2day h GLU 21 N -0.74 0.03 -0.89 1.13 5.08 -1.01 0.64 114.58 118.82 2day h GLU 21 Ca -0.02 -0.00 0.24 0.00 -1.00 0.00 0.00 59.36 58.58 2day h GLU 21 Cb 0.69 -0.01 -0.14 0.00 0.50 0.00 0.00 28.75 29.79 2day h GLU 21 CO -0.11 0.02 0.30 0.77 -1.00 0.00 0.00 179.01 178.99 2day h SER 22 N 0.03 0.12 0.00 1.42 0.02 -1.52 1.68 113.55 115.30 2day h SER 22 Ca 0.52 0.19 -0.07 0.00 -0.84 0.00 0.00 61.79 61.59 2day h SER 22 Cb 0.98 0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 2day h SER 22 CO -0.88 -0.12 -0.49 0.40 -1.14 0.00 0.00 176.83 174.59 2day h ILE 23 N 0.26 0.72 -0.55 3.27 2.04 0.08 -3.36 117.51 119.96 2day h ILE 23 Ca 0.57 -1.69 -0.37 0.00 1.00 0.00 0.00 64.86 64.37 2day h ILE 23 Cb 1.16 1.51 -0.16 0.00 -0.74 0.00 0.00 36.82 38.59 2day h ILE 23 CO -0.62 0.24 0.47 -1.22 0.00 0.00 0.00 178.15 177.02 2day n TYR 24 N -4.60 1.74 -0.36 1.37 4.01 0.87 -4.71 117.16 115.50 2day n TYR 24 Ca -0.14 -2.10 -0.07 0.00 -0.16 0.00 0.00 57.90 55.44 2day n TYR 24 Cb 0.39 -1.02 -0.05 0.00 -0.31 0.00 0.00 39.34 38.34 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 0.21 -0.81 -0.12 7.72 4.77 0.57 -1.34 117.00 127.99 2day n LEU 25 Ca 0.34 1.54 -0.24 0.00 -0.03 0.00 0.00 56.01 57.62 2day n LEU 25 Cb 0.59 -0.24 -0.09 0.00 -2.33 0.00 0.00 43.42 41.34 2day n LEU 25 CO 0.43 -1.29 -1.31 0.47 -1.33 0.00 0.00 177.39 174.36 2day n ASP 26 N -5.14 1.83 -0.31 -1.43 9.92 -1.26 -4.51 116.55 115.65 2day n ASP 26 Ca 0.04 0.20 0.25 0.00 -0.53 0.00 0.00 54.79 54.75 2day n ASP 26 Cb 0.26 -0.63 0.47 0.00 -0.64 0.00 0.00 41.12 40.58 2day n ASP 26 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2day n GLU 27 N -3.86 -0.06 -4.62 -1.24 1.02 -1.21 -4.29 120.64 106.36 2day n GLU 27 Ca -0.46 1.34 -0.29 0.00 -0.02 0.00 0.00 57.16 57.73 2day n GLU 27 Cb 0.86 -2.32 -0.14 0.00 -0.02 0.00 0.00 31.44 29.82 2day n GLU 27 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2day s LEU 28 N -10.45 2.24 0.02 -4.62 0.20 -0.45 -3.21 118.68 102.41 2day s LEU 28 Ca -0.10 -0.66 0.09 0.00 0.69 0.00 0.00 54.13 54.14 2day s LEU 28 Cb 0.31 -1.22 -0.02 0.00 -0.43 0.00 0.00 46.19 44.83 2day s LEU 28 CO 0.74 0.21 -0.26 -1.10 -0.29 0.00 0.00 176.35 175.65 2day s GLN 29 N -1.65 1.86 0.01 1.98 1.11 0.48 -4.57 119.66 118.88 2day s GLN 29 Ca 0.12 -1.02 0.07 0.00 0.01 0.00 0.00 55.36 54.54 2day s GLN 29 Cb -0.10 -1.94 -0.02 0.00 -1.01 0.00 0.00 33.01 29.94 2day s GLN 29 CO 0.04 0.51 -0.21 0.08 0.01 0.00 0.00 175.29 175.72 2day s VAL 30 N -0.73 1.68 -0.41 1.09 1.01 -1.26 -1.77 120.40 120.01 2day s VAL 30 Ca 0.11 -1.02 0.04 0.00 0.00 0.00 0.00 61.98 61.11 2day s VAL 30 Cb -0.10 -1.42 0.11 0.00 0.00 0.00 0.00 36.38 34.98 2day s VAL 30 CO 0.01 0.37 0.13 -0.63 0.00 0.00 0.00 175.10 174.99 2day s ILE 31 N -0.61 2.30 -0.35 2.22 1.09 -1.01 -5.04 121.20 119.81 2day s ILE 31 Ca 0.08 -2.67 -0.28 0.00 -1.10 0.00 0.00 60.65 56.68 2day s ILE 31 Cb -0.08 -2.66 -0.07 0.00 -1.06 0.00 0.00 42.46 38.59 2day s ILE 31 CO 0.00 -0.69 2.31 0.29 -0.10 0.00 0.00 174.94 176.75 2day n LYS 32 N 3.83 1.49 -1.50 2.79 4.01 -1.26 -4.07 118.16 123.46 2day n LYS 32 Ca 0.04 0.30 -0.55 0.00 -0.51 0.00 0.00 58.31 57.59 2day n LYS 32 Cb 0.38 -3.21 -0.08 0.00 -0.51 0.00 0.00 35.03 31.61 2day n LYS 32 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2day n GLY 33 N 5.95 0.48 0.27 0.72 0.00 -1.26 -4.82 105.19 106.54 2day n GLY 33 Ca 0.35 0.97 -0.01 0.00 0.00 0.00 0.00 46.02 47.33 2day n GLY 33 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2day h ASN 34 N 9.85 0.64 0.00 1.61 4.21 -1.94 -3.43 115.58 126.52 2day h ASN 34 Ca -0.30 0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.23 2day h ASN 34 Cb 1.34 -0.11 0.00 0.00 -1.12 0.00 0.00 38.32 38.44 2day h ASN 34 CO 1.01 0.41 0.00 0.61 -1.29 0.00 0.00 177.43 178.18 2day n GLY 35 N -1.30 1.35 0.52 2.83 0.00 -1.26 -5.08 105.19 102.25 2day n GLY 35 Ca 0.09 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.55 2day n GLY 35 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2day n ARG 36 N 0.00 0.00 -0.28 1.61 0.00 -1.26 -4.80 116.66 111.93 2day n ARG 36 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.85 57.80 2day n ARG 36 Cb 0.00 -0.50 0.05 0.00 0.00 0.00 0.00 32.46 32.01 2day n ARG 36 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 2day n THR 37 N -2.06 1.40 -5.10 5.15 -2.24 -1.26 -4.80 114.28 105.37 2day n THR 37 Ca 0.00 -0.43 -0.32 0.00 -2.27 0.00 0.00 64.05 61.02 2day n THR 37 Cb 0.15 -0.82 -0.17 0.00 -2.10 0.00 0.00 70.33 67.40 2day n THR 37 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2day s SER 38 N 0.37 3.22 0.02 3.42 1.04 -1.26 -5.01 113.70 115.49 2day s SER 38 Ca 0.13 -0.53 -0.30 0.00 0.48 0.00 0.00 55.95 55.73 2day s SER 38 Cb 0.11 -1.44 -0.06 0.00 0.10 0.00 0.00 66.02 64.73 2day s SER 38 CO 0.03 0.15 1.44 -2.16 0.98 0.00 0.00 173.24 173.68 2day s PRO 39 N 0.40 4.27 0.84 4.02 0.04 -1.26 -4.71 135.00 138.59 2day s PRO 39 Ca -0.17 2.03 -0.13 0.00 0.04 0.00 0.00 61.00 62.78 2day s PRO 39 Cb -0.17 -3.56 0.10 0.00 0.04 0.00 0.00 34.50 30.90 2day s PRO 39 CO 0.07 -0.59 1.15 0.91 0.04 0.00 0.00 177.00 178.58 2day n TRP 40 N 5.34 1.06 -4.26 0.56 7.02 0.47 -4.67 117.44 122.96 2day n TRP 40 Ca 0.13 0.40 -0.22 0.00 -1.02 0.00 0.00 57.50 56.80 2day n TRP 40 Cb 0.43 -2.07 -0.12 0.00 -2.42 0.00 0.00 31.31 27.13 2day n TRP 40 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 2day s GLU 41 N -4.19 1.05 -0.15 -0.99 2.56 -1.26 0.07 118.70 115.79 2day s GLU 41 Ca 0.71 -1.13 -0.05 0.00 0.00 0.00 0.00 54.97 54.50 2day s GLU 41 Cb -0.28 -1.20 0.07 0.00 2.00 0.00 0.00 34.13 34.72 2day s GLU 41 CO 0.53 0.27 0.30 0.42 -0.56 0.00 0.00 175.26 176.22 2day s ILE 42 N -1.33 -0.47 0.15 -3.70 1.01 -0.76 -2.40 121.20 113.70 2day s ILE 42 Ca 0.05 0.25 0.05 0.00 0.00 0.00 0.00 60.65 61.00 2day s ILE 42 Cb -0.09 -0.50 -0.04 0.00 0.01 0.00 0.00 42.46 41.84 2day s ILE 42 CO 0.04 0.11 0.14 -0.31 0.00 0.00 0.00 174.94 174.91 2day s TYR 43 N 2.45 3.18 -0.28 3.97 1.51 -0.73 -1.63 117.35 125.83 2day s TYR 43 Ca 0.00 0.01 -0.19 0.00 -1.01 0.00 0.00 57.07 55.88 2day s TYR 43 Cb -0.12 -1.54 0.08 0.00 -0.11 0.00 0.00 41.96 40.27 2day s TYR 43 CO -0.10 0.52 0.73 -1.50 -1.11 0.00 0.00 175.55 174.09 2day s ILE 44 N -1.70 0.00 -0.27 2.71 2.07 -1.09 -0.39 121.20 122.54 2day s ILE 44 Ca 0.31 0.00 -0.10 0.00 -1.41 0.00 0.00 60.65 59.45 2day s ILE 44 Cb -0.10 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.44 2day s ILE 44 CO 0.24 0.00 0.16 -0.89 -1.91 0.00 0.00 174.94 172.53 2day s THR 45 N 1.18 5.03 -0.01 4.00 2.01 -1.20 -1.19 115.64 125.47 2day s THR 45 Ca -0.06 0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.04 2day s THR 45 Cb -0.05 -3.39 -0.00 0.00 0.01 0.00 0.00 72.50 69.07 2day s THR 45 CO -0.13 0.28 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.23 2day s LEU 46 N 1.69 1.96 0.10 4.42 1.43 -1.22 -5.00 118.68 122.05 2day s LEU 46 Ca 0.07 -0.18 0.10 0.00 -1.03 0.00 0.00 54.13 53.09 2day s LEU 46 Cb -0.16 -0.51 -0.04 0.00 0.03 0.00 0.00 46.19 45.52 2day s LEU 46 CO 0.09 0.11 -0.26 -1.00 0.23 0.00 0.00 176.35 175.51 2day s HIS 47 N -0.12 2.28 0.76 0.29 3.76 -1.26 -3.69 115.29 117.31 2day s HIS 47 Ca 0.02 -0.39 -0.11 0.00 -0.15 0.00 0.00 55.06 54.43 2day s HIS 47 Cb -0.05 -1.28 0.05 0.00 1.11 0.00 0.00 32.58 32.41 2day s HIS 47 CO -0.00 0.26 1.09 -1.25 -0.85 0.00 0.00 174.74 173.99 2day s PRO 48 N -1.76 2.30 -0.28 8.40 0.04 -1.26 -4.90 135.00 137.54 2day s PRO 48 Ca 0.13 1.19 0.15 0.00 0.04 0.00 0.00 61.00 62.51 2day s PRO 48 Cb -0.10 -1.90 0.48 0.00 0.04 0.00 0.00 34.50 33.02 2day s PRO 48 CO 0.05 -1.61 1.15 0.00 0.04 0.00 0.00 177.00 176.62 2day n ALA 49 N -3.42 3.80 0.00 8.56 0.00 -1.26 -4.79 120.51 123.40 2day n ALA 49 Ca 0.09 -3.28 0.00 0.00 0.00 0.00 0.00 53.44 50.25 2day n ALA 49 Cb 0.53 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.37 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 -0.65 0.00 -1.45 0.00 5.66 -1.26 -4.89 114.28 111.69 2day n THR 50 Ca 0.25 0.00 -0.47 0.00 -3.05 0.00 0.00 64.05 60.78 2day n THR 50 Cb 0.88 -0.77 -0.03 0.00 -1.55 0.00 0.00 70.33 68.86 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 -2.63 -2.16 -3.39 1.79 0.00 -1.26 -4.98 120.51 107.89 2day n ALA 51 Ca 0.00 0.43 -0.04 0.00 0.00 0.00 0.00 53.44 53.83 2day n ALA 51 Cb 0.49 -1.73 -0.05 0.00 0.00 0.00 0.00 19.45 18.16 2day n ALA 51 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2day s GLU 52 N -1.12 0.45 -1.77 0.00 2.02 -1.26 -4.93 118.70 112.08 2day s GLU 52 Ca 0.63 0.91 -0.17 0.00 0.02 0.00 0.00 54.97 56.37 2day s GLU 52 Cb -0.87 0.20 0.17 0.00 0.10 0.00 0.00 34.13 33.73 2day s GLU 52 CO 0.57 -0.50 0.42 -0.25 0.02 0.00 0.00 175.26 175.52 2day n ASP 53 N 5.40 -1.00 -4.98 -0.19 9.92 -1.26 -4.90 116.55 119.53 2day n ASP 53 Ca -0.05 -1.24 -0.20 0.00 -0.53 0.00 0.00 54.79 52.77 2day n ASP 53 Cb 0.50 -1.58 0.01 0.00 -0.64 0.00 0.00 41.12 39.42 2day n ASP 53 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2day s GLN 54 N -7.23 2.86 0.28 -1.24 -2.07 -1.26 -4.99 119.66 106.02 2day s GLN 54 Ca 0.59 -0.92 0.01 0.00 -1.82 0.00 0.00 55.36 53.21 2day s GLN 54 Cb -0.34 -2.66 0.68 0.00 -1.09 0.00 0.00 33.01 29.59 2day s GLN 54 CO 1.01 -0.31 1.64 -0.44 -1.32 0.00 0.00 175.29 175.87 2day h ASP 55 N 0.50 -0.05 -3.45 12.60 3.32 -2.04 -3.29 116.42 124.01 2day h ASP 55 Ca -0.43 0.20 -0.71 0.00 0.02 0.00 0.00 57.03 56.11 2day h ASP 55 Cb 1.27 0.28 -0.29 0.00 0.22 0.00 0.00 39.33 40.81 2day h ASP 55 CO 0.51 -0.16 -0.48 -0.94 -1.72 0.00 0.00 179.24 176.45 2day s SER 56 N -5.10 5.55 -0.42 6.45 1.04 -1.26 -4.95 113.70 115.01 2day s SER 56 Ca -0.12 -1.64 -0.01 0.00 0.48 0.00 0.00 55.95 54.66 2day s SER 56 Cb 0.25 -1.95 0.33 0.00 0.10 0.00 0.00 66.02 64.75 2day s SER 56 CO 0.77 -0.55 1.95 0.00 0.98 0.00 0.00 173.24 176.39 2day n GLN 57 N 4.85 2.07 -3.64 4.02 6.02 -1.24 -4.84 117.38 124.62 2day n GLN 57 Ca -0.09 -2.17 -0.12 0.00 -0.01 0.00 0.00 57.00 54.62 2day n GLN 57 Cb 0.42 -1.85 -0.07 0.00 1.02 0.00 0.00 30.24 29.76 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 -2.50 -0.86 -0.29 1.08 6.14 -1.26 -5.11 117.35 114.56 2day s TYR 58 Ca 0.42 1.96 -0.22 0.00 0.64 0.00 0.00 57.07 59.87 2day s TYR 58 Cb 0.34 0.37 0.17 0.00 0.42 0.00 0.00 41.96 43.26 2day s TYR 58 CO 0.01 -0.42 1.24 0.54 0.64 0.00 0.00 175.55 177.56 2day s VAL 59 N 0.74 0.00 -0.13 3.14 0.11 -1.26 -4.41 120.40 118.59 2day s VAL 59 Ca -0.03 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.72 2day s VAL 59 Cb -0.05 -1.00 0.11 0.00 -1.53 0.00 0.00 36.38 33.91 2day s VAL 59 CO -0.05 0.00 0.92 0.00 -3.33 0.00 0.00 175.10 172.64 2day s PHE 61 N -1.22 -0.24 -0.33 0.00 -0.12 -1.24 -1.66 117.98 113.18 2day s PHE 61 Ca -0.04 0.49 -0.13 0.00 -0.05 0.00 0.00 56.93 57.20 2day s PHE 61 Cb -0.00 0.10 -0.02 0.00 -0.63 0.00 0.00 43.02 42.46 2day s PHE 61 CO 0.03 -0.29 0.26 0.99 -0.05 0.00 0.00 175.22 176.16 2day s THR 62 N -0.70 5.26 -0.48 -4.49 2.01 -1.05 -3.42 115.64 112.76 2day s THR 62 Ca -0.08 -0.05 -0.27 0.00 0.31 0.00 0.00 61.69 61.59 2day s THR 62 Cb -0.04 -3.70 0.03 0.00 0.01 0.00 0.00 72.50 68.79 2day s THR 62 CO 0.02 0.03 1.05 -0.22 -0.69 0.00 0.00 174.62 174.81 2day s LEU 63 N 1.81 3.79 -0.25 4.42 0.20 -0.33 -1.30 118.68 127.02 2day s LEU 63 Ca 0.08 0.28 -0.09 0.00 0.69 0.00 0.00 54.13 55.08 2day s LEU 63 Cb -0.17 -3.36 -0.04 0.00 -0.43 0.00 0.00 46.19 42.19 2day s LEU 63 CO 0.11 -1.18 0.12 -0.69 -0.29 0.00 0.00 176.35 174.42 2day s VAL 64 N 4.18 4.85 -0.18 1.68 1.01 0.78 -2.66 120.40 130.06 2day s VAL 64 Ca 0.43 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.41 2day s VAL 64 Cb -0.08 -3.28 -0.00 0.00 0.00 0.00 0.00 36.38 33.02 2day s VAL 64 CO 0.29 0.32 -0.12 -0.76 0.00 0.00 0.00 175.10 174.83 2day s LEU 65 N 1.47 2.59 -0.53 3.92 1.43 -0.64 -0.81 118.68 126.11 2day s LEU 65 Ca 0.06 -0.45 -0.16 0.00 -1.03 0.00 0.00 54.13 52.55 2day s LEU 65 Cb -0.15 -1.61 0.11 0.00 0.03 0.00 0.00 46.19 44.57 2day s LEU 65 CO 0.06 0.05 0.49 -1.10 0.23 0.00 0.00 176.35 176.08 2day s GLN 66 N 1.04 2.99 -0.40 1.70 -1.52 -0.57 -1.84 119.66 121.07 2day s GLN 66 Ca -0.01 -1.59 -0.24 0.00 -1.95 0.00 0.00 55.36 51.57 2day s GLN 66 Cb -0.15 -4.26 0.02 0.00 -0.22 0.00 0.00 33.01 28.40 2day s GLN 66 CO -0.03 -1.28 0.81 0.08 -0.25 0.00 0.00 175.29 174.62 2day s VAL 67 N 1.70 4.67 1.16 1.09 1.01 0.11 -2.11 120.40 128.03 2day s VAL 67 Ca 0.04 0.76 -0.18 0.00 0.00 0.00 0.00 61.98 62.60 2day s VAL 67 Cb -0.28 -4.27 0.27 0.00 0.00 0.00 0.00 36.38 32.09 2day s VAL 67 CO 0.04 -0.56 1.11 -2.16 0.00 0.00 0.00 175.10 173.53 2day s PRO 68 N 3.24 -0.87 0.05 2.72 0.04 -1.26 0.18 135.00 139.10 2day s PRO 68 Ca 0.32 0.06 -0.19 0.00 0.04 0.00 0.00 61.00 61.24 2day s PRO 68 Cb -0.12 -1.63 -0.14 0.00 0.04 0.00 0.00 34.50 32.65 2day s PRO 68 CO 0.20 -3.50 1.33 0.00 0.04 0.00 0.00 177.00 175.06 2day h ALA 69 N -2.43 0.26 -0.80 8.56 0.00 -1.89 -3.16 119.26 119.79 2day h ALA 69 Ca -0.47 -0.38 0.05 0.00 0.00 0.00 0.00 54.91 54.10 2day h ALA 69 Cb 1.30 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.00 2day h ALA 69 CO 0.40 0.23 0.53 1.05 0.00 0.00 0.00 179.25 181.46 2day h GLU 70 N 0.11 0.90 -3.15 0.00 4.11 -1.94 -3.45 114.58 111.16 2day h GLU 70 Ca 0.02 -0.05 -0.33 0.00 0.07 0.00 0.00 59.36 59.06 2day h GLU 70 Cb 0.82 -0.20 0.08 0.00 0.50 0.00 0.00 28.75 29.94 2day h GLU 70 CO 0.06 0.60 -0.45 0.98 0.07 0.00 0.00 179.01 180.27 2day n TYR 71 N -4.47 -0.90 0.43 2.06 4.19 -1.19 -1.91 117.16 115.36 2day n TYR 71 Ca 0.11 0.37 0.10 0.00 3.31 0.00 0.00 57.90 61.80 2day n TYR 71 Cb 0.17 -0.96 0.43 0.00 0.49 0.00 0.00 39.34 39.47 2day n TYR 71 CO 0.00 0.00 0.00 -0.35 0.91 0.00 0.00 176.86 177.42 2day n PRO 72 N 0.66 0.13 -0.14 2.98 -0.04 -1.26 -4.78 135.00 132.54 2day n PRO 72 Ca 0.07 0.37 0.11 0.00 -0.04 0.00 0.00 63.50 64.01 2day n PRO 72 Cb 0.19 -1.74 0.21 0.00 -0.04 0.00 0.00 33.50 32.11 2day n PRO 72 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2day n HIS 73 N -1.98 0.42 -5.15 0.54 8.25 -0.80 -3.92 115.22 112.58 2day n HIS 73 Ca 0.03 0.52 -0.31 0.00 -0.26 0.00 0.00 57.72 57.69 2day n HIS 73 Cb 0.21 -0.92 -0.15 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 -4.89 2.21 0.30 -0.41 2.56 -1.26 -4.92 118.70 112.29 2day s GLU 74 Ca -0.05 -0.87 -0.29 0.00 0.00 0.00 0.00 54.97 53.77 2day s GLU 74 Cb 0.14 -2.14 -0.10 0.00 2.00 0.00 0.00 34.13 34.03 2day s GLU 74 CO 0.34 0.58 1.34 0.14 -0.56 0.00 0.00 175.26 177.09 2day s VAL 75 N -0.66 2.75 0.04 3.70 -7.23 -1.25 -4.32 120.40 113.42 2day s VAL 75 Ca 0.11 0.71 -0.31 0.00 -1.81 0.00 0.00 61.98 60.68 2day s VAL 75 Cb -0.10 -3.45 -0.06 0.00 0.56 0.00 0.00 36.38 33.32 2day s VAL 75 CO -0.00 0.15 1.42 -2.16 -0.31 0.00 0.00 175.10 174.20 2day s PRO 76 N -1.34 4.29 -0.03 4.82 0.04 -1.26 -4.86 135.00 136.66 2day s PRO 76 Ca 0.52 2.03 -0.30 0.00 0.04 0.00 0.00 61.00 63.29 2day s PRO 76 Cb -0.40 -3.48 -0.08 0.00 0.04 0.00 0.00 34.50 30.58 2day s PRO 76 CO 0.50 -0.54 2.04 1.04 0.04 0.00 0.00 177.00 180.07 2day n GLN 77 N 4.95 2.62 -3.18 4.56 6.02 -0.90 -4.71 117.38 126.74 2day n GLN 77 Ca 0.13 0.91 -0.39 0.00 -0.01 0.00 0.00 57.00 57.64 2day n GLN 77 Cb 0.43 -3.05 -0.06 0.00 1.02 0.00 0.00 30.24 28.58 2day n GLN 77 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2day s ILE 78 N 5.42 5.07 0.05 5.09 1.09 -1.26 -1.52 121.20 135.15 2day s ILE 78 Ca 0.92 1.10 -0.02 0.00 -1.10 0.00 0.00 60.65 61.55 2day s ILE 78 Cb -0.42 -3.90 -0.03 0.00 -1.06 0.00 0.00 42.46 37.04 2day s ILE 78 CO 0.41 0.17 0.00 -0.94 -0.10 0.00 0.00 174.94 174.48 2day s SER 79 N 1.08 0.42 -0.07 3.58 1.04 0.01 -5.03 113.70 114.74 2day s SER 79 Ca 0.27 -0.92 0.04 0.00 0.48 0.00 0.00 55.95 55.82 2day s SER 79 Cb -0.16 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.18 2day s SER 79 CO 0.11 -0.60 -0.17 -0.63 0.98 0.00 0.00 173.24 172.92 2day s ILE 80 N -3.78 1.48 0.33 -1.02 1.01 -1.26 -0.15 121.20 117.80 2day s ILE 80 Ca 0.06 -0.71 0.09 0.00 0.00 0.00 0.00 60.65 60.08 2day s ILE 80 Cb 0.07 -1.30 -0.05 0.00 0.01 0.00 0.00 42.46 41.19 2day s ILE 80 CO -0.10 0.43 0.08 -0.13 0.00 0.00 0.00 174.94 175.22 2day s ARG 81 N 0.34 2.25 -1.13 2.79 0.52 -0.42 -4.70 118.95 118.60 2day s ARG 81 Ca -0.11 -1.61 -0.06 0.00 -0.52 0.00 0.00 55.73 53.43 2day s ARG 81 Cb -0.15 -2.08 0.01 0.00 0.52 0.00 0.00 34.95 33.25 2day s ARG 81 CO 0.04 0.15 0.11 0.09 0.02 0.00 0.00 175.30 175.72 2day n ASN 82 N -1.05 -0.12 -4.56 0.23 4.13 -1.26 -2.54 115.26 110.10 2day n ASN 82 Ca -0.04 -0.98 -0.27 0.00 1.68 0.00 0.00 54.58 54.96 2day n ASN 82 Cb 0.61 -1.21 -0.05 0.00 -1.54 0.00 0.00 39.78 37.59 2day n ASN 82 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2day s PRO 83 N -6.48 2.56 0.11 3.52 0.04 -1.26 -4.49 135.00 129.00 2day s PRO 83 Ca 0.08 -0.23 0.04 0.00 0.04 0.00 0.00 61.00 60.94 2day s PRO 83 Cb -0.05 -5.02 -0.04 0.00 0.04 0.00 0.00 34.50 29.44 2day s PRO 83 CO 0.76 -3.33 0.07 0.50 0.04 0.00 0.00 177.00 175.04 2day s ARG 84 N 7.01 2.79 0.00 4.56 6.06 -0.66 -4.56 118.95 134.14 2day s ARG 84 Ca 0.70 -0.80 0.00 0.00 -2.50 0.00 0.00 55.73 53.12 2day s ARG 84 Cb -0.07 -2.64 0.00 0.00 0.06 0.00 0.00 34.95 32.30 2day s ARG 84 CO 0.01 0.53 0.00 0.41 -2.50 0.00 0.00 175.30 173.74 2day n GLY 85 N 0.19 1.03 3.95 8.12 0.00 -1.26 -1.75 105.19 115.48 2day n GLY 85 Ca -0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 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 2.89 0.26 0.99 1.43 -1.26 -4.93 118.68 118.06 2day s LEU 86 Ca 0.00 0.13 0.05 0.00 -1.03 0.00 0.00 54.13 53.28 2day s LEU 86 Cb 0.00 -2.59 -0.06 0.00 0.03 0.00 0.00 46.19 43.57 2day s LEU 86 CO 0.00 -1.85 -0.03 -0.55 0.23 0.00 0.00 176.35 174.16 2day s SER 87 N -4.64 2.37 0.32 2.29 0.15 -1.26 -4.98 113.70 107.95 2day s SER 87 Ca 0.64 -1.21 0.09 0.00 0.70 0.00 0.00 55.95 56.17 2day s SER 87 Cb -0.08 -0.09 0.92 0.00 -1.71 0.00 0.00 66.02 65.06 2day s SER 87 CO 0.45 -0.43 1.65 -0.78 1.20 0.00 0.00 173.24 175.33 2day h ASP 88 N 2.34 0.23 0.69 5.45 3.58 -1.98 0.95 116.42 127.67 2day h ASP 88 Ca -0.39 0.20 -0.03 0.00 0.42 0.00 0.00 57.03 57.23 2day h ASP 88 Cb 1.23 0.22 -0.01 0.00 1.72 0.00 0.00 39.33 42.49 2day h ASP 88 CO 0.66 -0.17 -0.46 -0.33 -2.88 0.00 0.00 179.24 176.06 2day h GLU 89 N 0.24 -1.06 0.28 0.28 4.39 -1.99 -1.11 114.58 115.62 2day h GLU 89 Ca 0.65 0.07 0.00 0.00 0.34 0.00 0.00 59.36 60.43 2day h GLU 89 Cb 1.43 0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 30.31 2day h GLU 89 CO -0.65 -0.70 -0.27 1.96 -1.16 0.00 0.00 179.01 178.18 2day h GLN 90 N -1.10 -0.57 -0.50 2.33 7.50 -1.52 -1.15 115.11 120.12 2day h GLN 90 Ca -0.09 0.04 0.05 0.00 0.50 0.00 0.00 58.65 59.16 2day h GLN 90 Cb 0.89 0.13 -0.09 0.00 0.05 0.00 0.00 27.48 28.47 2day h GLN 90 CO 0.06 -0.38 -0.56 0.82 -1.50 0.00 0.00 178.83 177.28 2day h ILE 91 N -0.59 0.00 -0.98 2.54 2.04 -0.85 0.22 117.51 119.89 2day h ILE 91 Ca -0.01 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.98 2day h ILE 91 Cb 0.54 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.53 2day h ILE 91 CO -0.05 0.00 0.61 -0.74 0.00 0.00 0.00 178.15 177.96 2day h HIS 92 N -0.33 1.09 -0.21 1.37 2.76 -1.09 -1.70 115.15 117.03 2day h HIS 92 Ca 0.08 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.29 2day h HIS 92 Cb 0.56 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 29.17 2day h HIS 92 CO -0.77 0.40 0.13 1.15 -1.30 0.00 0.00 177.93 177.54 2day h THR 93 N 0.93 1.08 -0.11 6.26 2.02 0.51 -1.57 112.91 122.04 2day h THR 93 Ca 0.50 -0.20 0.03 0.00 0.77 0.00 0.00 66.41 67.50 2day h THR 93 Cb 0.54 0.84 -0.00 0.00 -1.74 0.00 0.00 68.15 67.78 2day h THR 93 CO -0.28 0.08 0.09 0.40 0.37 0.00 0.00 175.52 176.18 2day h ILE 94 N 0.26 0.79 0.10 3.11 2.04 0.20 -2.71 117.51 121.31 2day h ILE 94 Ca 0.08 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 2day h ILE 94 Cb 0.02 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 2day h ILE 94 CO -0.01 0.00 -0.05 -0.07 0.00 0.00 0.00 178.15 178.02 2day h LEU 95 N 0.00 -0.12 -1.36 1.44 3.38 -0.85 -2.87 115.31 114.93 2day h LEU 95 Ca 0.05 0.00 0.46 0.00 0.09 0.00 0.00 57.88 58.49 2day h LEU 95 Cb 0.23 0.03 -0.13 0.00 0.09 0.00 0.00 40.66 40.88 2day h LEU 95 CO -0.00 0.07 0.89 0.00 0.09 0.00 0.00 178.44 179.49 2day n GLN 96 N -3.24 -0.03 0.16 1.13 10.64 -0.66 0.19 117.38 125.57 2day n GLN 96 Ca -0.02 1.19 -0.12 0.00 -1.83 0.00 0.00 57.00 56.22 2day n GLN 96 Cb 0.05 -2.37 -0.07 0.00 -0.86 0.00 0.00 30.24 27.00 2day n GLN 96 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 2day h VAL 97 N 0.00 0.49 -0.59 -0.39 2.07 -1.56 -3.28 116.25 112.99 2day h VAL 97 Ca 0.85 -0.70 0.03 0.00 0.82 0.00 0.00 66.70 67.70 2day h VAL 97 Cb 2.79 0.76 -0.04 0.00 -1.52 0.00 0.00 31.29 33.28 2day h VAL 97 CO -0.41 0.10 0.35 -0.07 0.02 0.00 0.00 177.57 177.57 2day h LEU 98 N -0.93 0.57 -0.94 2.57 3.38 -0.02 -2.90 115.31 117.04 2day h LEU 98 Ca -0.05 0.01 0.15 0.00 0.09 0.00 0.00 57.88 58.08 2day h LEU 98 Cb 0.53 -0.12 -0.15 0.00 0.09 0.00 0.00 40.66 41.01 2day h LEU 98 CO 0.08 0.40 -0.36 0.61 0.09 0.00 0.00 178.44 179.26 2day n GLY 99 N -1.26 -1.91 0.38 0.83 0.00 0.65 -1.12 105.19 102.76 2day n GLY 99 Ca 0.05 1.05 -0.15 0.00 0.00 0.00 0.00 46.02 46.97 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 -0.91 -0.92 1.61 -0.00 -1.57 -2.89 115.15 110.47 2day h HIS 100 Ca 0.33 -0.02 0.31 0.00 -0.00 0.00 0.00 60.37 61.00 2day h HIS 100 Cb 0.57 0.30 -0.17 0.00 -0.00 0.00 0.00 27.41 28.11 2day h HIS 100 CO -0.82 -0.56 0.24 0.28 -0.00 0.00 0.00 177.93 177.07 2day n VAL 101 N -4.62 -0.39 0.16 5.26 0.31 -0.56 -0.19 118.33 118.31 2day n VAL 101 Ca -0.12 1.95 -0.17 0.00 -0.01 0.00 0.00 64.34 66.00 2day n VAL 101 Cb 0.38 -2.99 -0.10 0.00 -0.91 0.00 0.00 33.84 30.23 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 1.84 -1.00 -0.91 3.52 0.00 -0.90 -1.43 119.26 120.37 2day h ALA 102 Ca 0.66 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.48 2day h ALA 102 Cb 1.57 0.83 -0.06 0.00 0.00 0.00 0.00 17.79 20.13 2day h ALA 102 CO -0.79 -1.12 0.59 0.87 0.00 0.00 0.00 179.25 178.79 2day h LYS 103 N -0.81 1.10 -0.06 0.00 1.57 -0.51 -0.49 116.57 117.37 2day h LYS 103 Ca -0.02 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2day h LYS 103 Cb 0.78 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 2day h LYS 103 CO -0.22 0.73 0.12 0.00 -0.57 0.00 0.00 179.45 179.50 2day h ALA 104 N 1.39 1.42 -0.61 3.86 0.00 -0.56 -1.18 119.26 123.58 2day h ALA 104 Ca 0.37 -0.00 -0.40 0.00 0.00 0.00 0.00 54.91 54.88 2day h ALA 104 Cb 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 17.58 2day h ALA 104 CO -0.13 -0.15 -0.15 0.41 0.00 0.00 0.00 179.25 179.23 2day n GLY 105 N -1.26 5.59 3.83 0.00 0.00 -0.20 -5.03 105.19 108.13 2day n GLY 105 Ca -0.01 -1.91 -0.33 0.00 0.00 0.00 0.00 46.02 43.77 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 -3.48 3.96 0.00 0.99 1.43 -0.45 -3.99 118.68 117.14 2day s LEU 106 Ca 0.51 1.51 0.00 0.00 -1.03 0.00 0.00 54.13 55.12 2day s LEU 106 Cb 0.43 -4.35 0.00 0.00 0.03 0.00 0.00 46.19 42.30 2day s LEU 106 CO 0.01 -0.32 0.00 0.61 0.23 0.00 0.00 176.35 176.88 2day n GLY 107 N -0.64 3.00 3.26 -3.19 0.00 -1.26 -5.00 105.19 101.36 2day n GLY 107 Ca 0.06 -0.41 -0.17 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.01 0.00 0.02 2.61 -4.23 -1.26 -4.85 115.64 105.93 2day s THR 108 Ca 0.00 -1.99 -0.36 0.00 -1.18 0.00 0.00 61.69 58.15 2day s THR 108 Cb 0.00 -2.50 -0.19 0.00 1.34 0.00 0.00 72.50 71.15 2day s THR 108 CO 0.00 0.00 0.95 0.00 -0.54 0.00 0.00 174.62 175.03 2day n ALA 109 N -0.51 -3.41 0.00 3.99 0.00 -1.26 -4.84 120.51 114.48 2day n ALA 109 Ca 0.06 0.55 0.00 0.00 0.00 0.00 0.00 53.44 54.05 2day n ALA 109 Cb 0.63 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 1.36 0.38 -0.27 0.00 3.85 -1.26 -4.84 117.12 116.35 2day n MET 110 Ca 0.19 0.00 0.11 0.00 -1.00 0.00 0.00 57.70 57.00 2day n MET 110 Cb 0.10 -0.67 0.21 0.00 -1.05 0.00 0.00 33.22 31.81 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 -0.11 0.20 3.17 4.77 -1.26 0.23 117.00 122.38 2day n LEU 111 Ca 0.00 1.30 -0.17 0.00 -0.03 0.00 0.00 56.01 57.11 2day n LEU 111 Cb 0.17 -0.47 -0.10 0.00 -2.33 0.00 0.00 43.42 40.70 2day n LEU 111 CO 0.00 -1.32 0.52 0.22 -1.33 0.00 0.00 177.39 175.48 2day h TYR 112 N 0.00 -1.48 0.23 -1.77 3.20 -1.99 -1.94 116.97 113.21 2day h TYR 112 Ca 0.46 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.35 2day h TYR 112 Cb 0.92 0.61 -0.02 0.00 1.54 0.00 0.00 36.73 39.77 2day h TYR 112 CO -0.41 -0.63 -0.36 0.93 -1.64 0.00 0.00 178.16 176.05 2day h GLU 113 N -0.87 -0.60 -0.81 1.82 5.08 -0.55 -1.65 114.58 116.99 2day h GLU 113 Ca -0.03 0.04 0.19 0.00 -1.00 0.00 0.00 59.36 58.56 2day h GLU 113 Cb 0.81 0.14 -0.15 0.00 0.50 0.00 0.00 28.75 30.05 2day h GLU 113 CO -0.18 -0.40 -0.11 1.28 -1.00 0.00 0.00 179.01 178.59 2day n LEU 114 N -4.53 -0.21 0.30 1.33 4.77 -0.64 0.24 117.00 118.26 2day n LEU 114 Ca -0.07 1.39 -0.16 0.00 -0.03 0.00 0.00 56.01 57.14 2day n LEU 114 Cb 0.30 -0.46 -0.08 0.00 -2.33 0.00 0.00 43.42 40.85 2day n LEU 114 CO 0.15 -1.36 0.65 0.40 -1.33 0.00 0.00 177.39 175.89 2day h ILE 115 N 0.00 0.46 -0.84 -0.08 2.04 -0.83 -1.58 117.51 116.68 2day h ILE 115 Ca 0.43 -0.11 0.20 0.00 1.00 0.00 0.00 64.86 66.38 2day h ILE 115 Cb 0.77 0.51 -0.15 0.00 -0.74 0.00 0.00 36.82 37.21 2day h ILE 115 CO -0.81 0.02 0.04 -0.33 0.00 0.00 0.00 178.15 177.07 2day h GLU 116 N -0.79 0.09 0.08 2.37 4.39 0.72 0.13 114.58 121.57 2day h GLU 116 Ca -0.07 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 2day h GLU 116 Cb 0.58 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 2day h GLU 116 CO 0.12 0.06 -0.04 -0.22 -1.16 0.00 0.00 179.01 177.77 2day h LYS 117 N 0.10 -0.11 -0.89 2.33 1.63 -1.09 -3.12 116.57 115.42 2day h LYS 117 Ca 0.48 0.01 0.16 0.00 -0.85 0.00 0.00 60.65 60.44 2day h LYS 117 Cb 0.90 0.02 -0.15 0.00 -0.60 0.00 0.00 32.23 32.40 2day h LYS 117 CO -0.74 0.07 -0.29 0.41 -3.45 0.00 0.00 179.45 175.46 2day n GLY 118 N -0.70 -1.66 0.15 5.01 0.00 0.01 0.59 105.19 108.59 2day n GLY 118 Ca -0.08 0.97 -0.07 0.00 0.00 0.00 0.00 46.02 46.84 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 0.31 0.31 1.61 1.57 -1.45 -2.76 116.57 116.16 2day h LYS 119 Ca 0.36 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.11 2day h LYS 119 Cb 0.59 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2day h LYS 119 CO -0.89 0.21 -0.16 0.93 -0.57 0.00 0.00 179.45 178.97 2day h GLU 120 N 0.32 -0.41 -0.70 3.15 3.07 0.20 -3.12 114.58 117.09 2day h GLU 120 Ca 0.14 0.03 0.07 0.00 -0.50 0.00 0.00 59.36 59.10 2day h GLU 120 Cb 0.07 0.09 -0.09 0.00 -0.84 0.00 0.00 28.75 27.98 2day h GLU 120 CO -0.11 -0.27 -0.51 0.82 -1.40 0.00 0.00 179.01 177.53 2day h ILE 121 N -0.43 0.00 -0.90 3.13 2.04 -0.46 -0.52 117.51 120.37 2day h ILE 121 Ca -0.04 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.95 2day h ILE 121 Cb 0.33 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.27 2day h ILE 121 CO 0.06 0.00 -0.43 -0.07 0.00 0.00 0.00 178.15 177.71 2day h LEU 122 N -0.13 -1.57-10.09 1.44 3.38 -1.45 -3.39 115.31 103.50 2day h LEU 122 Ca 0.11 0.30 -0.46 0.00 0.09 0.00 0.00 57.88 57.92 2day h LEU 122 Cb 0.42 0.77 0.02 0.00 0.09 0.00 0.00 40.66 41.96 2day h LEU 122 CO -0.72 -0.29 0.37 -0.55 0.09 0.00 0.00 178.44 177.34 2day s SER 123 N -5.34 6.46 0.00 -0.43 0.15 -0.20 -4.74 113.70 109.60 2day s SER 123 Ca -0.14 1.83 0.00 0.00 0.70 0.00 0.00 55.95 58.34 2day s SER 123 Cb 0.17 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.93 2day s SER 123 CO 0.69 -0.70 0.00 0.61 1.20 0.00 0.00 173.24 175.04 2day n GLY 124 N -0.53 0.65 3.77 9.45 0.00 -1.26 -4.87 105.19 112.40 2day n GLY 124 Ca 0.08 -1.75 -0.32 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.99 2.66 0.21 1.61 0.04 -1.26 -4.92 135.00 130.34 2day s PRO 125 Ca 0.00 1.33 -0.28 0.00 0.04 0.00 0.00 61.00 62.09 2day s PRO 125 Cb 0.00 -1.94 -0.17 0.00 0.04 0.00 0.00 34.50 32.44 2day s PRO 125 CO 0.00 -1.35 0.58 0.43 0.04 0.00 0.00 177.00 176.69 2day n SER 126 N -2.70 -0.97 -4.64 6.66 7.64 -1.26 -4.74 113.62 113.60 2day n SER 126 Ca 0.10 1.14 -0.42 0.00 1.01 0.00 0.00 58.87 60.69 2day n SER 126 Cb 0.52 -0.98 -0.03 0.00 -1.01 0.00 0.00 64.21 62.71 2day n SER 126 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2day s SER 127 N -0.94 6.15 0.00 6.43 0.01 -1.26 -5.27 113.70 118.81 2day s SER 127 Ca 0.64 2.42 0.00 0.00 1.31 0.00 0.00 55.95 60.32 2day s SER 127 Cb -0.91 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 62.80 2day s SER 127 CO 0.56 -1.33 0.00 0.61 0.41 0.00 0.00 173.24 173.49