#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 1.33 0.31 1.61 0.01 -1.26 -4.93 113.70 110.77 2day s SER 2 Ca 0.00 1.57 -0.29 0.00 1.31 0.00 0.00 55.95 58.54 2day s SER 2 Cb 0.00 -2.30 -0.10 0.00 0.21 0.00 0.00 66.02 63.83 2day s SER 2 CO 0.00 -3.99 1.39 -0.94 0.41 0.00 0.00 173.24 170.10 2day s SER 3 N -2.62 6.66 0.00 2.44 1.04 -1.26 -5.00 113.70 114.96 2day s SER 3 Ca 0.68 2.74 0.00 0.00 0.48 0.00 0.00 55.95 59.85 2day s SER 3 Cb -0.24 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.24 2day s SER 3 CO 0.63 -0.65 0.00 0.61 0.98 0.00 0.00 173.24 174.82 2day n GLY 4 N 1.27 0.04 3.05 7.32 0.00 -1.26 -4.78 105.19 110.83 2day n GLY 4 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.42 4.93 0.13 1.61 0.15 -1.26 -4.97 113.70 112.88 2day s SER 5 Ca 0.00 -2.70 -0.23 0.00 0.70 0.00 0.00 55.95 53.72 2day s SER 5 Cb 0.00 -1.77 -0.03 0.00 -1.71 0.00 0.00 66.02 62.52 2day s SER 5 CO 0.00 -0.36 1.66 -1.28 1.20 0.00 0.00 173.24 174.46 2day h SER 6 N 7.10 -0.53 0.00 5.45 0.87 -2.02 -3.47 113.55 120.94 2day h SER 6 Ca -0.05 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2day h SER 6 Cb 0.96 0.24 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 2day h SER 6 CO 0.68 -0.23 0.00 0.61 -0.53 0.00 0.00 176.83 177.37 2day n GLY 7 N -1.31 3.84 3.73 5.77 0.00 -1.26 -5.10 105.19 110.86 2day n GLY 7 Ca -0.03 -0.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.85 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 -4.03 4.52 0.20 1.61 2.02 -1.26 -5.02 118.70 116.75 2day s GLU 8 Ca 0.00 1.81 -0.23 0.00 0.02 0.00 0.00 54.97 56.57 2day s GLU 8 Cb 0.00 -3.26 0.05 0.00 0.10 0.00 0.00 34.13 31.01 2day s GLU 8 CO 0.00 -0.06 0.83 -1.83 0.02 0.00 0.00 175.26 174.22 2day s GLU 9 N -0.13 1.45 0.42 1.61 -1.05 -1.26 -5.18 118.70 114.56 2day s GLU 9 Ca 0.52 -0.78 0.02 0.00 -0.15 0.00 0.00 54.97 54.58 2day s GLU 9 Cb -0.31 0.51 -0.01 0.00 -0.44 0.00 0.00 34.13 33.88 2day s GLU 9 CO 0.35 -0.66 0.62 -0.51 0.95 0.00 0.00 175.26 176.01 2day s ASP 10 N -2.90 5.88 -0.27 0.83 1.01 -1.26 -5.08 116.67 114.88 2day s ASP 10 Ca 0.11 0.20 -0.10 0.00 0.71 0.00 0.00 52.55 53.46 2day s ASP 10 Cb -0.03 -1.50 -0.04 0.00 1.01 0.00 0.00 42.92 42.36 2day s ASP 10 CO 0.03 -0.62 0.15 0.86 0.21 0.00 0.00 175.17 175.80 2day s TRP 11 N -2.46 3.19 0.21 4.23 -0.11 -1.26 -4.97 118.94 117.77 2day s TRP 11 Ca 0.47 -0.02 0.02 0.00 1.22 0.00 0.00 56.10 57.80 2day s TRP 11 Cb -0.10 -2.32 0.17 0.00 -1.50 0.00 0.00 33.47 29.72 2day s TRP 11 CO 0.36 -0.19 1.51 -0.24 -4.62 0.00 0.00 176.95 173.77 2day h VAL 12 N 5.38 1.39 -0.68 5.86 3.04 -1.98 -3.06 116.25 126.20 2day h VAL 12 Ca -0.36 -2.07 0.07 0.00 -1.01 0.00 0.00 66.70 63.32 2day h VAL 12 Cb 1.18 2.06 -0.10 0.00 -2.01 0.00 0.00 31.29 32.43 2day h VAL 12 CO 0.57 0.62 -0.55 0.25 -1.01 0.00 0.00 177.57 177.44 2day h LEU 13 N 0.21 -1.94 -0.95 3.16 5.85 -1.93 0.32 115.31 120.03 2day h LEU 13 Ca -0.01 0.28 -0.11 0.00 0.84 0.00 0.00 57.88 58.87 2day h LEU 13 Cb 1.19 0.83 -0.01 0.00 0.37 0.00 0.00 40.66 43.04 2day h LEU 13 CO 0.11 -0.30 -0.48 1.55 -0.34 0.00 0.00 178.44 178.98 2day h PRO 14 N -0.19 0.11 -0.71 5.25 0.13 -2.01 -2.55 132.00 132.04 2day h PRO 14 Ca 0.11 -0.06 -0.05 0.00 -0.87 0.00 0.00 66.00 65.13 2day h PRO 14 Cb 0.48 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.58 2day h PRO 14 CO -0.74 0.57 0.25 0.66 -0.23 0.00 0.00 178.00 178.51 2day h SER 15 N 0.09 0.99 0.12 1.44 4.64 -0.90 -3.05 113.55 116.88 2day h SER 15 Ca 0.00 -0.16 -0.01 0.00 -0.47 0.00 0.00 61.79 61.16 2day h SER 15 Cb 0.88 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 2day h SER 15 CO 0.07 0.90 -0.06 -0.08 -0.87 0.00 0.00 176.83 176.79 2day h GLU 16 N 1.03 -0.16 -1.09 4.77 4.81 -0.36 -3.27 114.58 120.32 2day h GLU 16 Ca 0.23 0.01 0.41 0.00 -0.13 0.00 0.00 59.36 59.88 2day h GLU 16 Cb 0.25 0.04 -0.14 0.00 0.63 0.00 0.00 28.75 29.52 2day h GLU 16 CO -0.01 0.30 0.65 0.28 -0.73 0.00 0.00 179.01 179.50 2day n VAL 17 N -4.86 -0.30 -0.09 0.32 0.31 -0.97 0.15 118.33 112.89 2day n VAL 17 Ca -0.07 1.72 -0.08 0.00 -0.01 0.00 0.00 64.34 65.90 2day n VAL 17 Cb 0.26 -2.80 -0.00 0.00 -0.91 0.00 0.00 33.84 30.39 2day n VAL 17 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2day h GLU 18 N 0.00 0.35 0.00 5.55 5.08 -1.58 0.94 114.58 124.92 2day h GLU 18 Ca 0.78 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 59.09 2day h GLU 18 Cb 2.31 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 31.48 2day h GLU 18 CO -0.54 0.23 -0.15 -0.24 -1.00 0.00 0.00 179.01 177.31 2day h VAL 19 N 0.36 0.27 0.26 3.13 3.04 0.13 -3.28 116.25 120.16 2day h VAL 19 Ca 0.13 -1.24 -0.01 0.00 -1.01 0.00 0.00 66.70 64.57 2day h VAL 19 Cb 0.02 2.01 0.00 0.00 -2.01 0.00 0.00 31.29 31.31 2day h VAL 19 CO -0.07 0.14 -0.12 -0.07 -1.01 0.00 0.00 177.57 176.44 2day h LEU 20 N 0.00 -0.29 -0.84 3.16 3.38 -0.22 -3.34 115.31 117.16 2day h LEU 20 Ca -0.00 -0.06 0.16 0.00 0.09 0.00 0.00 57.88 58.07 2day h LEU 20 Cb 1.00 0.08 -0.16 0.00 0.09 0.00 0.00 40.66 41.66 2day h LEU 20 CO 0.02 0.19 -0.25 -0.33 0.09 0.00 0.00 178.44 178.16 2day h GLU 21 N -1.07 -0.02 -1.00 1.13 4.39 -0.95 0.46 114.58 117.52 2day h GLU 21 Ca -0.04 0.00 0.37 0.00 0.34 0.00 0.00 59.36 60.03 2day h GLU 21 Cb 0.33 0.00 -0.18 0.00 -0.10 0.00 0.00 28.75 28.81 2day h GLU 21 CO 0.06 -0.01 0.38 0.77 -1.16 0.00 0.00 179.01 179.04 2day h SER 22 N -0.02 0.08 0.00 1.42 0.02 -1.67 1.56 113.55 114.93 2day h SER 22 Ca 0.38 0.26 -0.17 0.00 -0.84 0.00 0.00 61.79 61.42 2day h SER 22 Cb 0.61 0.33 -0.03 0.00 0.14 0.00 0.00 62.40 63.46 2day h SER 22 CO -0.87 -0.39 -1.01 0.40 -1.14 0.00 0.00 176.83 173.82 2day h ILE 23 N 0.03 0.81 -1.00 3.27 2.04 -0.39 -3.38 117.51 118.89 2day h ILE 23 Ca 0.76 -1.97 -0.52 0.00 1.00 0.00 0.00 64.86 64.13 2day h ILE 23 Cb 1.89 1.89 -0.20 0.00 -0.74 0.00 0.00 36.82 39.65 2day h ILE 23 CO -0.81 0.27 0.61 -1.22 0.00 0.00 0.00 178.15 177.01 2day n TYR 24 N -4.48 2.16 0.00 1.37 4.01 0.72 -4.77 117.16 116.16 2day n TYR 24 Ca -0.26 -2.26 0.00 0.00 -0.16 0.00 0.00 57.90 55.22 2day n TYR 24 Cb 0.58 -1.23 0.00 0.00 -0.31 0.00 0.00 39.34 38.38 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 0.00 0.09 7.72 4.77 0.52 -1.46 117.00 128.72 2day n LEU 25 Ca 0.47 0.78 -0.23 0.00 -0.03 0.00 0.00 56.01 57.00 2day n LEU 25 Cb 0.54 -0.28 -0.15 0.00 -2.33 0.00 0.00 43.42 41.19 2day n LEU 25 CO 0.48 -0.28 -0.27 -0.78 -1.33 0.00 0.00 177.39 175.21 2day h ASP 26 N 0.00 0.66 -0.06 -1.43 1.82 -1.86 -3.39 116.42 112.16 2day h ASP 26 Ca 0.00 -0.92 0.01 0.00 -0.39 0.00 0.00 57.03 55.72 2day h ASP 26 Cb 0.00 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 39.79 2day h ASP 26 CO 0.00 1.65 -0.05 -0.33 -1.61 0.00 0.00 179.24 178.90 2day h GLU 27 N -0.04 -0.02 -5.96 0.28 3.07 -1.88 -3.41 114.58 106.62 2day h GLU 27 Ca -0.26 0.00 -0.65 0.00 -0.50 0.00 0.00 59.36 57.95 2day h GLU 27 Cb 1.99 0.01 -0.09 0.00 -0.84 0.00 0.00 28.75 29.82 2day h GLU 27 CO 0.20 -0.02 -0.56 -1.17 -1.40 0.00 0.00 179.01 176.07 2day s LEU 28 N -6.08 4.01 0.14 1.33 0.20 -0.54 -4.07 118.68 113.66 2day s LEU 28 Ca -0.01 0.19 0.06 0.00 0.69 0.00 0.00 54.13 55.05 2day s LEU 28 Cb 0.01 -2.36 -0.04 0.00 -0.43 0.00 0.00 46.19 43.37 2day s LEU 28 CO 0.06 0.27 -0.13 -1.10 -0.29 0.00 0.00 176.35 175.15 2day s GLN 29 N -1.80 1.06 0.03 1.98 1.11 0.08 -4.46 119.66 117.66 2day s GLN 29 Ca 0.24 -1.32 0.01 0.00 0.01 0.00 0.00 55.36 54.31 2day s GLN 29 Cb -0.12 -0.85 -0.02 0.00 -1.01 0.00 0.00 33.01 31.00 2day s GLN 29 CO 0.15 0.15 -0.06 0.54 0.01 0.00 0.00 175.29 176.08 2day s VAL 30 N -2.49 0.38 -0.57 1.09 0.11 -1.26 0.06 120.40 117.72 2day s VAL 30 Ca 0.12 -1.02 -0.17 0.00 -2.93 0.00 0.00 61.98 57.98 2day s VAL 30 Cb -0.03 -0.48 0.13 0.00 -1.53 0.00 0.00 36.38 34.46 2day s VAL 30 CO 0.03 -0.43 0.58 -0.63 -3.33 0.00 0.00 175.10 171.32 2day s ILE 31 N -1.42 5.10 -0.34 7.04 -1.09 0.64 -4.99 121.20 126.14 2day s ILE 31 Ca -0.12 -1.39 -0.37 0.00 -2.23 0.00 0.00 60.65 56.54 2day s ILE 31 Cb -0.10 -4.39 -0.13 0.00 -1.58 0.00 0.00 42.46 36.26 2day s ILE 31 CO -0.00 -0.96 2.08 0.29 -1.23 0.00 0.00 174.94 175.12 2day n LYS 32 N 5.54 1.02 -1.58 2.79 4.76 -1.26 -4.33 118.16 125.10 2day n LYS 32 Ca -0.11 0.31 -0.44 0.00 -2.87 0.00 0.00 58.31 55.20 2day n LYS 32 Cb 0.41 -2.29 -0.04 0.00 -1.84 0.00 0.00 35.03 31.28 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 6.08 0.91 0.34 0.72 0.00 -1.26 -4.84 105.19 107.13 2day n GLY 33 Ca 0.39 0.79 -0.01 0.00 0.00 0.00 0.00 46.02 47.19 2day n GLY 33 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2day n ASN 34 N 11.77 -0.59 0.00 1.61 4.13 -1.26 -4.74 115.26 126.19 2day n ASN 34 Ca 0.32 1.53 0.00 0.00 1.68 0.00 0.00 54.58 58.11 2day n ASN 34 Cb 0.43 -0.34 0.00 0.00 -1.54 0.00 0.00 39.78 38.32 2day n ASN 34 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2day n GLY 35 N -1.41 3.91 2.44 7.41 0.00 -1.26 -5.18 105.19 111.10 2day n GLY 35 Ca 0.09 -0.47 -0.20 0.00 0.00 0.00 0.00 46.02 45.44 2day n GLY 35 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2day n ARG 36 N 0.00 0.95 -3.24 1.61 5.12 -1.26 -4.80 116.66 115.03 2day n ARG 36 Ca 0.00 -2.50 -0.23 0.00 -1.93 0.00 0.00 57.85 53.19 2day n ARG 36 Cb 0.00 0.96 0.02 0.00 -1.16 0.00 0.00 32.46 32.28 2day n ARG 36 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 2day n THR 37 N -0.77 -1.64 -3.73 0.55 -1.04 -1.26 -4.96 114.28 101.42 2day n THR 37 Ca -0.10 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.78 2day n THR 37 Cb 0.44 -2.79 -0.13 0.00 -1.82 0.00 0.00 70.33 66.03 2day n THR 37 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 2day s SER 38 N -2.78 -0.21 0.25 8.00 1.04 -1.26 -5.10 113.70 113.63 2day s SER 38 Ca 0.38 0.49 -0.30 0.00 0.48 0.00 0.00 55.95 57.00 2day s SER 38 Cb -0.18 0.38 -0.09 0.00 0.10 0.00 0.00 66.02 66.22 2day s SER 38 CO 0.47 -0.17 1.27 -2.16 0.98 0.00 0.00 173.24 173.63 2day s PRO 39 N 1.29 4.42 0.50 4.02 0.04 -1.26 -4.85 135.00 139.16 2day s PRO 39 Ca -0.09 2.05 -0.19 0.00 0.04 0.00 0.00 61.00 62.81 2day s PRO 39 Cb -0.11 -3.16 -0.08 0.00 0.04 0.00 0.00 34.50 31.20 2day s PRO 39 CO -0.08 -0.16 1.03 -1.58 0.04 0.00 0.00 177.00 176.26 2day s TRP 40 N -0.44 3.04 -0.09 0.56 0.52 0.54 -4.85 118.94 118.22 2day s TRP 40 Ca 0.52 1.56 0.03 0.00 0.02 0.00 0.00 56.10 58.23 2day s TRP 40 Cb -0.37 -3.03 0.01 0.00 -1.15 0.00 0.00 33.47 28.93 2day s TRP 40 CO 0.43 -0.81 -0.17 -2.00 0.02 0.00 0.00 176.95 174.41 2day s GLU 41 N -3.42 2.35 -0.04 4.98 2.56 -1.26 -0.81 118.70 123.06 2day s GLU 41 Ca 0.66 -0.63 0.03 0.00 0.00 0.00 0.00 54.97 55.04 2day s GLU 41 Cb -0.15 -1.89 0.00 0.00 2.00 0.00 0.00 34.13 34.09 2day s GLU 41 CO 0.23 0.04 -0.14 0.42 -0.56 0.00 0.00 175.26 175.25 2day s ILE 42 N 0.68 1.18 0.28 -3.70 1.01 -0.53 -0.26 121.20 119.86 2day s ILE 42 Ca -0.13 -0.57 0.11 0.00 0.00 0.00 0.00 60.65 60.07 2day s ILE 42 Cb -0.16 -1.03 -0.05 0.00 0.01 0.00 0.00 42.46 41.23 2day s ILE 42 CO 0.03 0.35 -0.14 -0.31 0.00 0.00 0.00 174.94 174.87 2day s TYR 43 N 0.18 2.40 -0.20 3.97 1.51 0.11 -0.64 117.35 124.67 2day s TYR 43 Ca -0.05 -0.33 -0.29 0.00 -1.01 0.00 0.00 57.07 55.39 2day s TYR 43 Cb -0.11 -1.09 0.14 0.00 -0.11 0.00 0.00 41.96 40.79 2day s TYR 43 CO 0.02 0.68 1.09 -1.50 -1.11 0.00 0.00 175.55 174.73 2day s ILE 44 N -2.48 0.00 -0.11 2.71 2.07 -1.00 -0.74 121.20 121.65 2day s ILE 44 Ca 0.31 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.53 2day s ILE 44 Cb -0.04 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.52 2day s ILE 44 CO 0.16 0.00 -0.04 -0.89 -1.91 0.00 0.00 174.94 172.26 2day s THR 45 N -0.98 3.90 0.02 4.00 2.01 -1.26 -0.53 115.64 122.80 2day s THR 45 Ca 0.01 -0.38 0.01 0.00 0.31 0.00 0.00 61.69 61.63 2day s THR 45 Cb -0.01 -2.65 -0.01 0.00 0.01 0.00 0.00 72.50 69.83 2day s THR 45 CO -0.01 0.55 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.68 2day s LEU 46 N -0.31 2.17 -0.00 4.42 1.43 -1.15 -5.00 118.68 120.23 2day s LEU 46 Ca 0.05 -0.36 0.02 0.00 -1.03 0.00 0.00 54.13 52.81 2day s LEU 46 Cb -0.12 -0.01 -0.01 0.00 0.03 0.00 0.00 46.19 46.08 2day s LEU 46 CO 0.02 -0.18 -0.07 -1.38 0.23 0.00 0.00 176.35 174.98 2day s HIS 47 N -1.00 0.59 -0.00 0.29 -3.43 -1.26 -3.16 115.29 107.33 2day s HIS 47 Ca -0.10 -0.11 -0.30 0.00 -0.80 0.00 0.00 55.06 53.75 2day s HIS 47 Cb -0.07 -0.38 -0.06 0.00 -1.43 0.00 0.00 32.58 30.64 2day s HIS 47 CO -0.00 -0.01 1.45 -1.25 -2.00 0.00 0.00 174.74 172.93 2day s PRO 48 N -0.16 4.26 -0.40 -0.38 0.04 -1.26 -4.88 135.00 132.21 2day s PRO 48 Ca 0.03 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.09 2day s PRO 48 Cb -0.03 -3.62 0.37 0.00 0.04 0.00 0.00 34.50 31.27 2day s PRO 48 CO -0.00 -0.63 1.87 0.00 0.04 0.00 0.00 177.00 178.28 2day n ALA 49 N 5.61 5.24 0.09 8.56 0.00 -1.26 -3.95 120.51 134.80 2day n ALA 49 Ca 0.14 -2.25 0.03 0.00 0.00 0.00 0.00 53.44 51.36 2day n ALA 49 Cb 0.43 -1.45 -0.04 0.00 0.00 0.00 0.00 19.45 18.39 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 -0.36 0.00 -3.05 0.00 5.66 -1.26 -4.89 114.28 110.37 2day n THR 50 Ca 0.43 -0.22 -0.45 0.00 -3.05 0.00 0.00 64.05 60.76 2day n THR 50 Cb 0.89 0.61 -0.03 0.00 -1.55 0.00 0.00 70.33 70.25 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 -2.05 3.46 -0.17 1.79 0.00 -1.25 -4.80 121.76 118.74 2day s ALA 51 Ca -0.00 -2.53 -0.11 0.00 0.00 0.00 0.00 51.96 49.31 2day s ALA 51 Cb 0.04 -3.75 -0.07 0.00 0.00 0.00 0.00 23.12 19.34 2day s ALA 51 CO 0.22 -2.61 -0.26 0.39 0.00 0.00 0.00 175.76 173.51 2day n GLU 52 N 6.22 0.41 -3.95 0.00 1.02 -1.26 -4.92 120.64 118.16 2day n GLU 52 Ca 0.06 0.17 -0.33 0.00 -0.02 0.00 0.00 57.16 57.05 2day n GLU 52 Cb 0.46 -1.19 -0.14 0.00 -0.02 0.00 0.00 31.44 30.54 2day n GLU 52 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2day s ASP 53 N -6.51 4.87 0.22 1.62 -1.08 -1.26 -4.99 116.67 109.54 2day s ASP 53 Ca -0.26 -1.93 -0.22 0.00 -0.52 0.00 0.00 52.55 49.63 2day s ASP 53 Cb 0.08 -1.68 0.05 0.00 -1.46 0.00 0.00 42.92 39.91 2day s ASP 53 CO 0.34 -0.39 0.66 -1.10 0.52 0.00 0.00 175.17 175.20 2day s GLN 54 N 1.03 1.51 0.23 4.34 -0.21 -1.26 -5.05 119.66 120.25 2day s GLN 54 Ca 0.06 -0.71 -0.07 0.00 0.02 0.00 0.00 55.36 54.66 2day s GLN 54 Cb -0.20 0.60 0.34 0.00 1.00 0.00 0.00 33.01 34.75 2day s GLN 54 CO -0.06 -0.68 1.77 0.22 -2.12 0.00 0.00 175.29 174.42 2day h ASP 55 N 2.00 0.41 -3.44 5.90 1.82 -2.03 -3.37 116.42 117.71 2day h ASP 55 Ca -0.27 0.07 -0.58 0.00 -0.39 0.00 0.00 57.03 55.86 2day h ASP 55 Cb 1.28 0.00 -0.39 0.00 0.68 0.00 0.00 39.33 40.90 2day h ASP 55 CO 0.31 0.23 -0.77 -0.44 -1.61 0.00 0.00 179.24 176.96 2day s SER 56 N -5.47 3.67 -0.22 2.28 0.01 -1.26 -4.98 113.70 107.73 2day s SER 56 Ca -0.13 -1.23 0.03 0.00 1.31 0.00 0.00 55.95 55.94 2day s SER 56 Cb 0.18 -0.97 0.39 0.00 0.21 0.00 0.00 66.02 65.82 2day s SER 56 CO 0.76 -0.30 1.43 0.00 0.41 0.00 0.00 173.24 175.54 2day n GLN 57 N 4.79 2.02 -4.08 12.44 -0.00 -1.26 -4.85 117.38 126.44 2day n GLN 57 Ca -0.08 -1.67 -0.35 0.00 -0.00 0.00 0.00 57.00 54.90 2day n GLN 57 Cb 0.44 -1.71 -0.13 0.00 -0.00 0.00 0.00 30.24 28.85 2day n GLN 57 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.06 176.59 2day s TYR 58 N -1.84 3.02 -0.30 2.61 6.14 -1.26 -5.05 117.35 120.67 2day s TYR 58 Ca 0.31 -0.51 -0.16 0.00 0.64 0.00 0.00 57.07 57.35 2day s TYR 58 Cb 0.26 -2.08 0.18 0.00 0.42 0.00 0.00 41.96 40.73 2day s TYR 58 CO 0.07 -0.27 1.12 0.54 0.64 0.00 0.00 175.55 177.65 2day s VAL 59 N 1.03 -0.25 -0.14 3.14 0.11 -1.26 -4.44 120.40 118.60 2day s VAL 59 Ca 0.02 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 58.91 2day s VAL 59 Cb -0.14 -1.00 0.04 0.00 -1.53 0.00 0.00 36.38 33.75 2day s VAL 59 CO 0.01 0.00 0.44 0.00 -3.33 0.00 0.00 175.10 172.22 2day s PHE 61 N -0.06 1.19 -0.28 0.00 -0.12 -1.19 -3.24 117.98 114.28 2day s PHE 61 Ca -0.03 -0.85 -0.08 0.00 -0.05 0.00 0.00 56.93 55.92 2day s PHE 61 Cb -0.03 -0.64 -0.02 0.00 -0.63 0.00 0.00 43.02 41.70 2day s PHE 61 CO 0.02 -0.03 0.11 0.99 -0.05 0.00 0.00 175.22 176.25 2day s THR 62 N -3.46 4.46 -0.42 -4.49 2.01 -1.15 -2.96 115.64 109.63 2day s THR 62 Ca 0.18 -0.28 -0.24 0.00 0.31 0.00 0.00 61.69 61.65 2day s THR 62 Cb 0.04 -3.17 0.02 0.00 0.01 0.00 0.00 72.50 69.40 2day s THR 62 CO 0.00 0.21 0.85 -0.22 -0.69 0.00 0.00 174.62 174.78 2day s LEU 63 N 1.62 4.09 -0.24 4.42 0.20 0.31 -2.25 118.68 126.83 2day s LEU 63 Ca 0.05 0.21 -0.08 0.00 0.69 0.00 0.00 54.13 55.00 2day s LEU 63 Cb -0.16 -3.11 -0.04 0.00 -0.43 0.00 0.00 46.19 42.46 2day s LEU 63 CO 0.05 -0.90 0.10 -0.69 -0.29 0.00 0.00 176.35 174.62 2day s VAL 64 N 3.42 4.66 -0.30 1.68 1.01 -0.58 -2.38 120.40 127.91 2day s VAL 64 Ca 0.34 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.27 2day s VAL 64 Cb -0.12 -3.17 0.07 0.00 0.00 0.00 0.00 36.38 33.16 2day s VAL 64 CO 0.22 0.35 -0.01 -0.76 0.00 0.00 0.00 175.10 174.89 2day s LEU 65 N 1.36 3.99 -0.67 3.92 1.43 0.18 -2.17 118.68 126.73 2day s LEU 65 Ca 0.06 -1.50 -0.16 0.00 -1.03 0.00 0.00 54.13 51.49 2day s LEU 65 Cb -0.15 -1.66 0.15 0.00 0.03 0.00 0.00 46.19 44.56 2day s LEU 65 CO 0.05 -0.28 0.69 -1.58 0.23 0.00 0.00 176.35 175.46 2day s GLN 66 N 1.15 3.24 -0.28 1.70 0.74 -0.93 -1.45 119.66 123.82 2day s GLN 66 Ca -0.03 -1.83 -0.29 0.00 0.05 0.00 0.00 55.36 53.26 2day s GLN 66 Cb -0.20 -4.38 0.00 0.00 1.10 0.00 0.00 33.01 29.53 2day s GLN 66 CO -0.04 -1.42 1.23 0.08 -0.55 0.00 0.00 175.29 174.59 2day s VAL 67 N 1.58 4.28 0.11 1.34 1.01 0.01 -1.72 120.40 127.01 2day s VAL 67 Ca 0.12 1.48 -0.02 0.00 0.00 0.00 0.00 61.98 63.56 2day s VAL 67 Cb -0.20 -4.21 0.03 0.00 0.00 0.00 0.00 36.38 32.00 2day s VAL 67 CO -0.01 -0.41 0.09 -0.81 0.00 0.00 0.00 175.10 173.97 2day n PRO 68 N 7.05 -1.21 0.09 2.72 -0.04 -1.26 -0.34 135.00 142.02 2day n PRO 68 Ca 0.14 -0.15 -0.23 0.00 -0.04 0.00 0.00 63.50 63.22 2day n PRO 68 Cb 0.46 -0.14 -0.15 0.00 -0.04 0.00 0.00 33.50 33.63 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 -2.06 -0.10 -0.71 0.55 0.00 -1.96 -3.33 119.26 111.65 2day h ALA 69 Ca -0.04 -0.82 0.12 0.00 0.00 0.00 0.00 54.91 54.18 2day h ALA 69 Cb 0.11 0.18 -0.09 0.00 0.00 0.00 0.00 17.79 17.99 2day h ALA 69 CO 0.02 0.59 0.28 0.93 0.00 0.00 0.00 179.25 181.07 2day h GLU 70 N -0.10 0.43 -2.86 0.00 5.08 -1.94 -3.44 114.58 111.75 2day h GLU 70 Ca -0.22 -0.03 -0.32 0.00 -1.00 0.00 0.00 59.36 57.80 2day h GLU 70 Cb 1.93 -0.10 0.05 0.00 0.50 0.00 0.00 28.75 31.13 2day h GLU 70 CO 0.21 0.28 -0.25 0.98 -1.00 0.00 0.00 179.01 179.23 2day n TYR 71 N -5.00 -0.22 0.27 4.33 4.19 -1.24 -1.63 117.16 117.85 2day n TYR 71 Ca 0.12 0.46 0.15 0.00 3.31 0.00 0.00 57.90 61.95 2day n TYR 71 Cb 0.36 -0.93 0.65 0.00 0.49 0.00 0.00 39.34 39.91 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 0.50 0.00 -0.60 2.98 0.13 -1.90 -3.45 132.00 129.67 2day h PRO 72 Ca -0.14 0.00 0.20 0.00 -0.87 0.00 0.00 66.00 65.19 2day h PRO 72 Cb 0.69 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 31.71 2day h PRO 72 CO 0.27 0.07 0.14 0.72 -0.23 0.00 0.00 178.00 178.97 2day n HIS 73 N -3.21 0.51 -4.45 1.56 8.25 -0.65 -4.10 115.22 113.13 2day n HIS 73 Ca 0.00 0.71 -0.31 0.00 -0.26 0.00 0.00 57.72 57.86 2day n HIS 73 Cb 0.32 -1.03 -0.11 0.00 1.12 0.00 0.00 29.99 30.30 2day n HIS 73 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2day s GLU 74 N -5.23 2.28 0.42 -0.41 2.56 -1.25 -4.88 118.70 112.19 2day s GLU 74 Ca -0.07 -0.89 -0.23 0.00 0.00 0.00 0.00 54.97 53.79 2day s GLU 74 Cb 0.19 -2.35 -0.09 0.00 2.00 0.00 0.00 34.13 33.88 2day s GLU 74 CO 0.46 0.55 1.03 0.14 -0.56 0.00 0.00 175.26 176.88 2day s VAL 75 N -1.04 3.86 0.22 3.70 -7.23 -1.26 -3.73 120.40 114.93 2day s VAL 75 Ca 0.18 1.32 -0.30 0.00 -1.81 0.00 0.00 61.98 61.36 2day s VAL 75 Cb -0.11 -3.62 -0.09 0.00 0.56 0.00 0.00 36.38 33.12 2day s VAL 75 CO 0.09 -0.10 1.29 -2.16 -0.31 0.00 0.00 175.10 173.90 2day s PRO 76 N -2.78 4.41 -0.22 4.82 0.04 -1.26 -4.73 135.00 135.29 2day s PRO 76 Ca 0.61 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 63.41 2day s PRO 76 Cb -0.18 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.13 2day s PRO 76 CO 0.23 -0.20 1.99 -0.65 0.04 0.00 0.00 177.00 178.41 2day s GLN 77 N -0.44 3.41 -0.23 4.56 -0.21 -0.70 -4.80 119.66 121.24 2day s GLN 77 Ca 0.54 1.89 -0.20 0.00 0.02 0.00 0.00 55.36 57.61 2day s GLN 77 Cb -0.36 -4.25 -0.02 0.00 1.00 0.00 0.00 33.01 29.37 2day s GLN 77 CO 0.40 -1.78 0.60 0.42 -2.12 0.00 0.00 175.29 172.81 2day s ILE 78 N 7.00 5.02 0.10 1.08 1.01 -1.26 -2.18 121.20 131.96 2day s ILE 78 Ca 0.89 1.09 -0.07 0.00 0.00 0.00 0.00 60.65 62.57 2day s ILE 78 Cb -0.30 -3.91 -0.01 0.00 0.01 0.00 0.00 42.46 38.24 2day s ILE 78 CO 0.35 0.08 0.15 -0.44 0.00 0.00 0.00 174.94 175.07 2day s SER 79 N 1.37 0.20 -0.06 3.58 0.01 -0.92 -5.02 113.70 112.85 2day s SER 79 Ca 0.26 -0.80 0.03 0.00 1.31 0.00 0.00 55.95 56.75 2day s SER 79 Cb -0.16 0.32 0.00 0.00 0.21 0.00 0.00 66.02 66.40 2day s SER 79 CO 0.09 -0.73 -0.16 -0.63 0.41 0.00 0.00 173.24 172.22 2day s ILE 80 N -3.91 1.41 0.08 1.44 1.01 -1.26 -1.52 121.20 118.44 2day s ILE 80 Ca 0.09 -0.67 0.07 0.00 0.00 0.00 0.00 60.65 60.14 2day s ILE 80 Cb 0.05 -1.24 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 2day s ILE 80 CO -0.08 0.41 -0.16 -0.13 0.00 0.00 0.00 174.94 174.99 2day s ARG 81 N 0.33 2.02 -1.32 2.79 3.00 -0.95 -4.70 118.95 120.12 2day s ARG 81 Ca -0.10 -1.03 -0.06 0.00 0.00 0.00 0.00 55.73 54.53 2day s ARG 81 Cb -0.14 -2.21 -0.00 0.00 0.00 0.00 0.00 34.95 32.60 2day s ARG 81 CO 0.04 0.52 0.55 -1.71 0.00 0.00 0.00 175.30 174.70 2day n ASN 82 N 1.14 -1.80 -4.55 0.23 5.15 -1.26 -2.95 115.26 111.21 2day n ASN 82 Ca -0.15 -1.00 -0.38 0.00 -0.60 0.00 0.00 54.58 52.45 2day n ASN 82 Cb 0.52 -3.21 -0.03 0.00 -0.53 0.00 0.00 39.78 36.53 2day n ASN 82 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2day s PRO 83 N -6.36 2.62 0.23 1.20 0.04 -1.26 -4.54 135.00 126.92 2day s PRO 83 Ca 0.14 0.58 0.09 0.00 0.04 0.00 0.00 61.00 61.84 2day s PRO 83 Cb -0.05 -4.41 -0.04 0.00 0.04 0.00 0.00 34.50 30.04 2day s PRO 83 CO 0.88 -2.76 0.00 0.50 0.04 0.00 0.00 177.00 175.66 2day s ARG 84 N 7.05 2.36 0.00 4.56 3.52 -1.20 -4.65 118.95 130.59 2day s ARG 84 Ca 0.67 -1.27 0.00 0.00 -0.13 0.00 0.00 55.73 55.00 2day s ARG 84 Cb -0.12 -2.26 0.00 0.00 -1.56 0.00 0.00 34.95 31.01 2day s ARG 84 CO 0.20 0.40 0.00 0.41 -0.81 0.00 0.00 175.30 175.50 2day n GLY 85 N -0.56 1.05 3.91 8.12 0.00 -1.26 -3.09 105.19 113.35 2day n GLY 85 Ca -0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 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 3.38 0.25 0.99 1.43 -1.26 -4.94 118.68 118.53 2day s LEU 86 Ca 0.00 0.84 0.07 0.00 -1.03 0.00 0.00 54.13 54.01 2day s LEU 86 Cb 0.00 -3.73 -0.03 0.00 0.03 0.00 0.00 46.19 42.45 2day s LEU 86 CO 0.00 -0.87 0.23 -0.44 0.23 0.00 0.00 176.35 175.50 2day s SER 87 N -4.22 5.71 0.24 2.29 0.01 -1.26 -4.92 113.70 111.55 2day s SER 87 Ca 0.52 -0.18 -0.13 0.00 1.31 0.00 0.00 55.95 57.47 2day s SER 87 Cb -0.10 -1.51 0.32 0.00 0.21 0.00 0.00 66.02 64.94 2day s SER 87 CO 0.46 -0.04 1.58 -0.78 0.41 0.00 0.00 173.24 174.86 2day h ASP 88 N 1.42 -0.97 0.50 2.44 1.82 -1.98 -0.21 116.42 119.44 2day h ASP 88 Ca -0.49 0.27 -0.01 0.00 -0.39 0.00 0.00 57.03 56.40 2day h ASP 88 Cb 1.24 0.58 -0.01 0.00 0.68 0.00 0.00 39.33 41.82 2day h ASP 88 CO 0.61 -0.29 -0.38 -0.33 -1.61 0.00 0.00 179.24 177.24 2day h GLU 89 N -0.02 -0.83 -0.20 0.28 3.07 -2.00 -2.54 114.58 112.34 2day h GLU 89 Ca 0.38 0.06 0.03 0.00 -0.50 0.00 0.00 59.36 59.33 2day h GLU 89 Cb 0.62 0.19 -0.05 0.00 -0.84 0.00 0.00 28.75 28.67 2day h GLU 89 CO -0.89 -0.55 -0.39 1.96 -1.40 0.00 0.00 179.01 177.74 2day h GLN 90 N -0.86 -0.33 -0.90 2.33 1.08 -1.51 -0.67 115.11 114.25 2day h GLN 90 Ca -0.05 0.02 0.08 0.00 -1.45 0.00 0.00 58.65 57.25 2day h GLN 90 Cb 0.73 0.08 -0.11 0.00 -0.05 0.00 0.00 27.48 28.13 2day h GLN 90 CO 0.01 -0.22 -0.53 -0.89 -0.95 0.00 0.00 178.83 176.24 2day n ILE 91 N -4.58 -0.61 -0.18 2.54 5.41 -0.25 -0.25 119.36 121.43 2day n ILE 91 Ca -0.03 2.33 -0.01 0.00 1.00 0.00 0.00 62.75 66.03 2day n ILE 91 Cb 0.25 -2.89 0.06 0.00 -0.71 0.00 0.00 39.64 36.35 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 -0.20 -0.71 1.39 2.76 -1.00 -0.38 115.15 117.02 2day h HIS 92 Ca 0.14 0.05 0.14 0.00 -2.20 0.00 0.00 60.37 58.50 2day h HIS 92 Cb 0.37 0.18 -0.09 0.00 1.55 0.00 0.00 27.41 29.41 2day h HIS 92 CO -1.02 -0.21 0.24 1.15 -1.30 0.00 0.00 177.93 176.79 2day h THR 93 N 0.04 0.64 -0.08 6.26 2.02 0.93 -1.62 112.91 121.09 2day h THR 93 Ca 0.28 -0.13 0.03 0.00 0.77 0.00 0.00 66.41 67.36 2day h THR 93 Cb 0.43 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 2day h THR 93 CO -0.54 0.07 -0.10 0.40 0.37 0.00 0.00 175.52 175.72 2day h ILE 94 N 0.37 0.72 -1.00 3.11 2.04 0.30 -1.97 117.51 121.09 2day h ILE 94 Ca 0.39 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.42 2day h ILE 94 Cb 0.59 0.72 -0.10 0.00 -0.74 0.00 0.00 36.82 37.29 2day h ILE 94 CO -0.41 0.00 0.62 -0.07 0.00 0.00 0.00 178.15 178.28 2day h LEU 95 N -0.14 0.78 0.13 1.44 3.38 -0.89 -2.55 115.31 117.46 2day h LEU 95 Ca 0.07 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2day h LEU 95 Cb 0.23 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2day h LEU 95 CO -0.16 0.31 -0.14 1.56 0.09 0.00 0.00 178.44 180.10 2day h GLN 96 N 0.78 -0.26 -0.08 1.13 1.08 -0.84 0.10 115.11 117.02 2day h GLN 96 Ca 0.55 0.02 0.01 0.00 -1.45 0.00 0.00 58.65 57.78 2day h GLN 96 Cb 0.84 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.31 2day h GLN 96 CO -0.34 -0.18 -0.10 0.28 -0.95 0.00 0.00 178.83 177.54 2day h VAL 97 N -0.27 0.00 -0.92 -0.54 2.07 -1.34 -0.81 116.25 114.44 2day h VAL 97 Ca -0.02 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.76 2day h VAL 97 Cb 0.24 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.85 2day h VAL 97 CO -0.03 0.00 0.14 -0.07 0.02 0.00 0.00 177.57 177.63 2day h LEU 98 N -0.07 -0.23 -0.67 2.57 3.38 -1.50 0.27 115.31 119.06 2day h LEU 98 Ca 0.01 0.24 0.14 0.00 0.09 0.00 0.00 57.88 58.36 2day h LEU 98 Cb 0.10 0.37 -0.10 0.00 0.09 0.00 0.00 40.66 41.12 2day h LEU 98 CO -0.11 -0.26 0.10 1.23 0.09 0.00 0.00 178.44 179.48 2day h GLY 99 N 0.09 0.83 0.94 0.83 0.00 0.68 -1.55 103.07 104.88 2day h GLY 99 Ca 0.57 0.02 -0.02 0.00 0.00 0.00 0.00 47.33 47.90 2day h GLY 99 CO -0.78 -0.19 -0.24 0.45 0.00 0.00 0.00 176.54 175.78 2day h HIS 100 N 0.20 -0.63 -0.99 5.60 3.86 0.02 -2.83 115.15 120.38 2day h HIS 100 Ca 0.36 -0.01 0.28 0.00 -1.16 0.00 0.00 60.37 59.84 2day h HIS 100 Cb 0.60 0.21 -0.14 0.00 1.06 0.00 0.00 27.41 29.14 2day h HIS 100 CO -0.31 -0.36 0.55 0.28 0.86 0.00 0.00 177.93 178.95 2day h VAL 101 N -0.75 0.41 -0.07 2.45 2.07 -1.08 -1.32 116.25 117.96 2day h VAL 101 Ca -0.07 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.32 2day h VAL 101 Cb 0.56 -0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 2day h VAL 101 CO 0.11 0.08 -0.20 0.00 0.02 0.00 0.00 177.57 177.58 2day h ALA 102 N 1.79 -0.58 -0.72 1.67 0.00 -1.04 -0.60 119.26 119.78 2day h ALA 102 Ca 0.68 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.62 2day h ALA 102 Cb 1.42 0.76 -0.04 0.00 0.00 0.00 0.00 17.79 19.93 2day h ALA 102 CO -0.55 -0.66 0.47 0.87 0.00 0.00 0.00 179.25 179.38 2day h LYS 103 N -0.20 0.78 0.00 0.00 1.57 -1.41 0.19 116.57 117.49 2day h LYS 103 Ca 0.01 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2day h LYS 103 Cb 0.25 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 2day h LYS 103 CO -0.17 0.51 -0.00 0.00 -0.57 0.00 0.00 179.45 179.22 2day h ALA 104 N 1.60 1.04 -0.50 3.86 0.00 -0.24 -1.91 119.26 123.10 2day h ALA 104 Ca 0.30 -0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.85 2day h ALA 104 Cb 0.17 -0.00 -0.28 0.00 0.00 0.00 0.00 17.79 17.68 2day h ALA 104 CO -0.09 0.00 -0.65 0.41 0.00 0.00 0.00 179.25 178.92 2day n GLY 105 N -1.10 5.94 3.85 0.00 0.00 0.04 -5.05 105.19 108.87 2day n GLY 105 Ca -0.03 -2.17 -0.32 0.00 0.00 0.00 0.00 46.02 43.50 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 3.68 0.00 0.99 1.43 -0.72 -3.96 118.68 116.62 2day s LEU 106 Ca 0.47 1.46 0.00 0.00 -1.03 0.00 0.00 54.13 55.03 2day s LEU 106 Cb 0.40 -4.38 0.00 0.00 0.03 0.00 0.00 46.19 42.24 2day s LEU 106 CO 0.00 -0.54 0.00 0.61 0.23 0.00 0.00 176.35 176.65 2day n GLY 107 N -1.50 2.83 3.28 -3.19 0.00 -1.26 -4.98 105.19 100.36 2day n GLY 107 Ca 0.05 -0.22 -0.17 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.87 0.10 0.04 2.61 -4.23 -1.25 -4.88 115.64 106.15 2day s THR 108 Ca 0.00 -2.00 -0.38 0.00 -1.18 0.00 0.00 61.69 58.13 2day s THR 108 Cb 0.00 -2.50 -0.18 0.00 1.34 0.00 0.00 72.50 71.17 2day s THR 108 CO 0.00 0.00 1.26 0.00 -0.54 0.00 0.00 174.62 175.34 2day n ALA 109 N -0.53 -1.87 0.00 3.99 0.00 -1.26 -4.84 120.51 116.00 2day n ALA 109 Ca 0.04 0.54 0.00 0.00 0.00 0.00 0.00 53.44 54.02 2day n ALA 109 Cb 0.64 -1.97 0.00 0.00 0.00 0.00 0.00 19.45 18.12 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 2.25 1.15 -0.27 0.00 3.85 -1.26 -4.82 117.12 118.02 2day n MET 110 Ca 0.19 0.00 0.08 0.00 -1.00 0.00 0.00 57.70 56.97 2day n MET 110 Cb 0.15 -0.76 0.16 0.00 -1.05 0.00 0.00 33.22 31.72 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 -1.63 -0.19 0.13 3.17 4.77 -1.26 0.11 117.00 122.10 2day n LEU 111 Ca 0.00 1.33 -0.16 0.00 -0.03 0.00 0.00 56.01 57.15 2day n LEU 111 Cb 0.26 -0.44 -0.10 0.00 -2.33 0.00 0.00 43.42 40.82 2day n LEU 111 CO 0.00 -1.31 0.51 0.22 -1.33 0.00 0.00 177.39 175.49 2day h TYR 112 N 0.00 -1.47 0.28 -1.77 3.20 -2.00 -2.00 116.97 113.22 2day h TYR 112 Ca 0.42 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.33 2day h TYR 112 Cb 0.75 0.62 -0.04 0.00 1.54 0.00 0.00 36.73 39.60 2day h TYR 112 CO -0.51 -0.59 -0.46 0.93 -1.64 0.00 0.00 178.16 175.90 2day h GLU 113 N -0.76 -0.77 -0.87 1.82 5.08 -0.66 -2.19 114.58 116.22 2day h GLU 113 Ca -0.01 0.05 0.15 0.00 -1.00 0.00 0.00 59.36 58.54 2day h GLU 113 Cb 0.75 0.18 -0.15 0.00 0.50 0.00 0.00 28.75 30.03 2day h GLU 113 CO -0.25 -0.52 -0.31 1.28 -1.00 0.00 0.00 179.01 178.22 2day n LEU 114 N -5.50 -0.50 0.19 1.33 4.77 -0.44 -0.05 117.00 116.81 2day n LEU 114 Ca -0.09 1.51 -0.14 0.00 -0.03 0.00 0.00 56.01 57.26 2day n LEU 114 Cb 0.41 -0.38 -0.07 0.00 -2.33 0.00 0.00 43.42 41.05 2day n LEU 114 CO 0.22 -1.39 0.70 0.40 -1.33 0.00 0.00 177.39 176.00 2day h ILE 115 N 0.00 0.47 -0.82 -0.08 2.04 -0.95 -1.16 117.51 117.02 2day h ILE 115 Ca 0.34 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.38 2day h ILE 115 Cb 0.55 0.47 -0.15 0.00 -0.74 0.00 0.00 36.82 36.95 2day h ILE 115 CO -0.87 0.00 -0.11 -0.33 0.00 0.00 0.00 178.15 176.83 2day h GLU 116 N -0.56 0.03 -0.20 2.37 4.39 0.14 0.10 114.58 120.86 2day h GLU 116 Ca -0.02 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.67 2day h GLU 116 Cb 0.50 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 2day h GLU 116 CO -0.02 0.02 0.07 -0.22 -1.16 0.00 0.00 179.01 177.69 2day h LYS 117 N 0.03 0.31 -0.81 2.33 1.63 -0.96 -3.06 116.57 116.04 2day h LYS 117 Ca 0.43 -0.06 0.24 0.00 -0.85 0.00 0.00 60.65 60.40 2day h LYS 117 Cb 0.72 -0.05 -0.15 0.00 -0.60 0.00 0.00 32.23 32.16 2day h LYS 117 CO -0.80 0.40 0.06 0.41 -3.45 0.00 0.00 179.45 176.07 2day n GLY 118 N -0.63 -1.05 0.07 5.01 0.00 0.34 0.98 105.19 109.90 2day n GLY 118 Ca -0.04 0.78 -0.12 0.00 0.00 0.00 0.00 46.02 46.65 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 0.09 0.27 1.61 1.57 -1.42 -2.88 116.57 115.81 2day h LYS 119 Ca 0.52 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 59.29 2day h LYS 119 Cb 1.11 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.37 2day h LYS 119 CO -0.75 0.21 -0.38 0.93 -0.57 0.00 0.00 179.45 178.88 2day h GLU 120 N -0.04 -0.69 -0.39 3.15 5.08 0.56 -2.65 114.58 119.61 2day h GLU 120 Ca 0.02 0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.47 2day h GLU 120 Cb 0.15 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.50 2day h GLU 120 CO -0.00 -0.46 -0.31 0.82 -1.00 0.00 0.00 179.01 178.06 2day h ILE 121 N -0.72 0.00 -1.25 3.13 2.04 -1.17 0.44 117.51 119.98 2day h ILE 121 Ca -0.01 0.00 0.39 0.00 1.00 0.00 0.00 64.86 66.25 2day h ILE 121 Cb 0.68 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.64 2day h ILE 121 CO -0.13 0.00 0.81 -0.07 0.00 0.00 0.00 178.15 178.76 2day h LEU 122 N -0.10 0.28 -2.54 1.44 3.38 -1.41 1.22 115.31 117.58 2day h LEU 122 Ca 0.06 0.12 -0.13 0.00 0.09 0.00 0.00 57.88 58.03 2day h LEU 122 Cb 0.27 0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.04 2day h LEU 122 CO -0.42 -0.12 0.17 -0.24 0.09 0.00 0.00 178.44 177.92 2day n SER 123 N -4.67 3.35 -1.43 -0.43 2.88 0.15 -4.60 113.62 108.87 2day n SER 123 Ca 0.34 -2.42 0.03 0.00 -1.33 0.00 0.00 58.87 55.50 2day n SER 123 Cb 1.30 -0.61 -0.02 0.00 -0.75 0.00 0.00 64.21 64.13 2day n SER 123 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2day n GLY 124 N 0.15 -3.85 3.73 0.46 0.00 0.42 -4.82 105.19 101.27 2day n GLY 124 Ca 0.15 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 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 -5.09 4.37 0.19 1.61 0.04 -1.26 -4.61 135.00 130.25 2day s PRO 125 Ca 0.00 2.04 -0.19 0.00 0.04 0.00 0.00 61.00 62.89 2day s PRO 125 Cb 0.00 -3.22 -0.12 0.00 0.04 0.00 0.00 34.50 31.20 2day s PRO 125 CO 0.00 -0.31 0.28 0.43 0.04 0.00 0.00 177.00 177.43 2day n SER 126 N 3.16 -1.29 -0.29 6.66 7.64 -1.26 -4.71 113.62 123.52 2day n SER 126 Ca 0.08 0.75 -0.01 0.00 1.01 0.00 0.00 58.87 60.70 2day n SER 126 Cb 0.43 -0.67 0.03 0.00 -1.01 0.00 0.00 64.21 62.98 2day n SER 126 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2day n SER 127 N 1.53 -0.50 0.00 6.43 2.88 -1.26 -5.26 113.62 117.44 2day n SER 127 Ca 0.11 1.32 0.00 0.00 -1.33 0.00 0.00 58.87 58.97 2day n SER 127 Cb 0.22 -0.30 0.00 0.00 -0.75 0.00 0.00 64.21 63.38 2day n SER 127 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42