#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2day h SER 2 N 0.00 0.00 0.00 1.61 4.64 -2.06 -3.02 113.55 114.72 2day h SER 2 Ca 0.00 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.01 2day h SER 2 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 2day h SER 2 CO 0.00 0.00 -2.01 -1.54 -0.87 0.00 0.00 176.83 172.41 2day n SER 3 N -3.64 1.74 0.00 4.97 3.41 -1.26 -5.04 113.62 113.79 2day n SER 3 Ca 0.02 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 2day n SER 3 Cb 0.37 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.61 2day n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2day n GLY 4 N 1.53 2.94 3.57 5.00 0.00 -1.15 -4.32 105.19 112.76 2day n GLY 4 Ca -0.40 0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.35 2day n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2day s SER 5 N -4.00 5.84 0.20 1.61 1.04 -1.26 -4.80 113.70 112.32 2day s SER 5 Ca 0.00 -1.57 -0.12 0.00 0.48 0.00 0.00 55.95 54.75 2day s SER 5 Cb 0.00 -2.58 0.25 0.00 0.10 0.00 0.00 66.02 63.79 2day s SER 5 CO 0.00 -2.17 1.69 -1.28 0.98 0.00 0.00 173.24 172.46 2day h SER 6 N 9.59 -0.11 -3.17 7.02 0.87 -1.95 -3.46 113.55 122.35 2day h SER 6 Ca 0.24 0.12 -0.15 0.00 -1.23 0.00 0.00 61.79 60.77 2day h SER 6 Cb 0.95 0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 63.07 2day h SER 6 CO 1.33 -0.04 0.02 0.61 -0.53 0.00 0.00 176.83 178.22 2day n GLY 7 N -1.32 1.83 3.56 5.77 0.00 -1.26 -5.07 105.19 108.69 2day n GLY 7 Ca 0.07 -1.42 -0.20 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.42 1.84 -0.13 1.61 2.02 -1.26 -4.80 118.70 115.56 2day s GLU 8 Ca 0.19 0.59 -0.33 0.00 0.02 0.00 0.00 54.97 55.44 2day s GLU 8 Cb -0.02 -4.76 0.13 0.00 0.10 0.00 0.00 34.13 29.57 2day s GLU 8 CO 0.14 -4.05 1.09 -1.83 0.02 0.00 0.00 175.26 170.64 2day s GLU 9 N 8.49 0.49 -0.02 1.61 -1.05 -1.26 -5.18 118.70 121.79 2day s GLU 9 Ca 0.90 -0.16 -0.03 0.00 -0.15 0.00 0.00 54.97 55.53 2day s GLU 9 Cb -0.13 0.23 0.00 0.00 -0.44 0.00 0.00 34.13 33.79 2day s GLU 9 CO 0.11 -0.21 0.07 -0.51 0.95 0.00 0.00 175.26 175.66 2day s ASP 10 N -2.20 -0.03 -0.18 0.83 1.01 -1.26 -5.00 116.67 109.84 2day s ASP 10 Ca 0.07 0.05 -0.00 0.00 0.71 0.00 0.00 52.55 53.38 2day s ASP 10 Cb -0.01 0.15 0.01 0.00 1.01 0.00 0.00 42.92 44.08 2day s ASP 10 CO -0.06 -0.08 -0.16 0.86 0.21 0.00 0.00 175.17 175.94 2day s TRP 11 N -0.23 2.81 0.15 4.23 -0.11 -1.26 -4.99 118.94 119.55 2day s TRP 11 Ca -0.03 -1.42 0.06 0.00 1.22 0.00 0.00 56.10 55.93 2day s TRP 11 Cb -0.02 -1.95 -0.08 0.00 -1.50 0.00 0.00 33.47 29.92 2day s TRP 11 CO 0.00 -0.71 1.34 -0.24 -4.62 0.00 0.00 176.95 172.73 2day h VAL 12 N 5.86 1.61 -0.58 5.86 3.04 -1.98 -3.26 116.25 126.79 2day h VAL 12 Ca -0.43 -3.01 0.06 0.00 -1.01 0.00 0.00 66.70 62.31 2day h VAL 12 Cb 1.15 2.66 -0.09 0.00 -2.01 0.00 0.00 31.29 33.00 2day h VAL 12 CO 0.62 0.86 -0.55 0.25 -1.01 0.00 0.00 177.57 177.74 2day h LEU 13 N 0.03 -1.90 -1.14 3.16 5.85 -1.94 0.38 115.31 119.75 2day h LEU 13 Ca -0.03 0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.96 2day h LEU 13 Cb 1.62 0.80 0.00 0.00 0.37 0.00 0.00 40.66 43.45 2day h LEU 13 CO 0.13 -0.33 0.00 1.55 -0.34 0.00 0.00 178.44 179.44 2day h PRO 14 N -0.26 0.00 0.00 5.25 0.13 -2.01 -2.26 132.00 132.85 2day h PRO 14 Ca 0.10 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 65.08 2day h PRO 14 Cb 0.52 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.62 2day h PRO 14 CO -0.69 0.00 -0.71 1.03 -0.23 0.00 0.00 178.00 177.41 2day h SER 15 N 0.00 0.00 0.15 1.44 0.87 -0.40 -3.32 113.55 112.30 2day h SER 15 Ca 0.00 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.20 2day h SER 15 Cb 0.42 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 2day h SER 15 CO 0.00 0.71 -1.97 1.21 -0.53 0.00 0.00 176.83 176.25 2day n GLU 16 N -3.43 0.76 -0.31 2.24 4.07 0.12 -4.21 120.64 119.88 2day n GLU 16 Ca 0.00 0.27 0.16 0.00 -0.06 0.00 0.00 57.16 57.53 2day n GLU 16 Cb 0.76 -1.72 0.34 0.00 -0.06 0.00 0.00 31.44 30.77 2day n GLU 16 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 2day h VAL 17 N 0.07 0.21 -0.97 6.31 2.07 -1.51 0.77 116.25 123.19 2day h VAL 17 Ca -0.41 -0.05 0.14 0.00 0.82 0.00 0.00 66.70 67.19 2day h VAL 17 Cb 2.04 0.05 -0.08 0.00 -1.52 0.00 0.00 31.29 31.77 2day h VAL 17 CO 0.09 0.03 0.61 -0.33 0.02 0.00 0.00 177.57 177.99 2day h GLU 18 N 0.14 0.85 -0.07 1.57 5.08 -1.73 0.16 114.58 120.58 2day h GLU 18 Ca 0.61 -0.05 -0.21 0.00 -1.00 0.00 0.00 59.36 58.71 2day h GLU 18 Cb 1.32 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.38 2day h GLU 18 CO -0.73 0.56 -0.81 0.28 -1.00 0.00 0.00 179.01 177.31 2day h VAL 19 N 0.87 1.35 0.59 3.13 2.07 0.30 -3.24 116.25 121.32 2day h VAL 19 Ca 0.49 -2.18 -0.03 0.00 0.82 0.00 0.00 66.70 65.81 2day h VAL 19 Cb 0.61 2.17 0.01 0.00 -1.52 0.00 0.00 31.29 32.56 2day h VAL 19 CO -0.26 0.66 -0.28 -0.07 0.02 0.00 0.00 177.57 177.64 2day h LEU 20 N 0.34 -0.67 -0.97 2.57 3.38 -0.08 -3.21 115.31 116.67 2day h LEU 20 Ca -0.05 -0.01 0.25 0.00 0.09 0.00 0.00 57.88 58.16 2day h LEU 20 Cb 1.42 0.17 -0.18 0.00 0.09 0.00 0.00 40.66 42.17 2day h LEU 20 CO 0.15 -0.29 -0.03 -0.62 0.09 0.00 0.00 178.44 177.74 2day n GLU 21 N -5.32 -0.08 -0.32 1.13 -0.58 0.43 0.13 120.64 116.04 2day n GLU 21 Ca -0.11 1.47 0.13 0.00 -0.42 0.00 0.00 57.16 58.23 2day n GLU 21 Cb 0.33 -2.30 0.31 0.00 -0.57 0.00 0.00 31.44 29.22 2day n GLU 21 CO 0.00 0.00 0.00 1.03 -0.48 0.00 0.00 177.13 177.68 2day h SER 22 N 0.00 0.47 0.00 1.62 0.87 -1.57 1.69 113.55 116.62 2day h SER 22 Ca 0.56 0.14 -0.04 0.00 -1.23 0.00 0.00 61.79 61.22 2day h SER 22 Cb 1.11 0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.15 2day h SER 22 CO -0.93 0.07 -0.39 0.40 -0.53 0.00 0.00 176.83 175.45 2day h ILE 23 N 0.50 0.54 -1.06 2.23 2.04 0.11 -3.37 117.51 118.49 2day h ILE 23 Ca 0.57 -1.50 -0.56 0.00 1.00 0.00 0.00 64.86 64.36 2day h ILE 23 Cb 1.03 1.11 -0.22 0.00 -0.74 0.00 0.00 36.82 38.00 2day h ILE 23 CO -0.48 0.18 0.69 -1.22 0.00 0.00 0.00 178.15 177.32 2day n TYR 24 N -4.63 2.39 -0.10 1.37 4.01 0.74 -4.79 117.16 116.15 2day n TYR 24 Ca -0.10 -2.39 -0.03 0.00 -0.16 0.00 0.00 57.90 55.22 2day n TYR 24 Cb 0.30 -1.25 -0.02 0.00 -0.31 0.00 0.00 39.34 38.06 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 -0.14 -0.26 -0.11 7.72 4.77 0.57 -1.57 117.00 127.99 2day n LEU 25 Ca 0.49 1.04 -0.24 0.00 -0.03 0.00 0.00 56.01 57.27 2day n LEU 25 Cb 0.53 -0.36 -0.11 0.00 -2.33 0.00 0.00 43.42 41.15 2day n LEU 25 CO 0.53 -0.66 -0.96 -0.67 -1.33 0.00 0.00 177.39 174.31 2day n ASP 26 N -3.48 1.94 -0.24 -1.43 2.03 -1.26 -4.33 116.55 109.78 2day n ASP 26 Ca 0.00 0.32 0.24 0.00 0.52 0.00 0.00 54.79 55.87 2day n ASP 26 Cb 0.06 -0.85 0.44 0.00 -0.72 0.00 0.00 41.12 40.05 2day n ASP 26 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2day n GLU 27 N -4.14 -0.05 -4.28 -0.67 -0.58 -1.22 -4.22 120.64 105.47 2day n GLU 27 Ca -0.41 1.04 -0.19 0.00 -0.42 0.00 0.00 57.16 57.18 2day n GLU 27 Cb 0.83 -1.86 -0.13 0.00 -0.57 0.00 0.00 31.44 29.71 2day n GLU 27 CO 0.00 0.00 0.00 -1.17 -0.48 0.00 0.00 177.13 175.48 2day s LEU 28 N -9.40 2.19 0.02 -4.62 0.20 -0.61 -3.74 118.68 102.71 2day s LEU 28 Ca -0.07 -0.48 0.08 0.00 0.69 0.00 0.00 54.13 54.35 2day s LEU 28 Cb 0.26 -0.53 -0.02 0.00 -0.43 0.00 0.00 46.19 45.46 2day s LEU 28 CO 0.59 -0.01 -0.24 -1.10 -0.29 0.00 0.00 176.35 175.30 2day s GLN 29 N -1.24 1.71 -0.04 1.98 -0.21 -0.01 -4.55 119.66 117.30 2day s GLN 29 Ca -0.00 -0.96 0.06 0.00 0.02 0.00 0.00 55.36 54.48 2day s GLN 29 Cb -0.08 -1.78 -0.02 0.00 1.00 0.00 0.00 33.01 32.13 2day s GLN 29 CO 0.01 0.47 -0.22 0.08 -2.12 0.00 0.00 175.29 173.52 2day s VAL 30 N -0.71 2.41 -0.19 1.09 1.01 -1.26 -0.83 120.40 121.92 2day s VAL 30 Ca 0.09 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 2day s VAL 30 Cb -0.09 -1.89 0.05 0.00 0.00 0.00 0.00 36.38 34.45 2day s VAL 30 CO 0.01 0.58 -0.03 -0.63 0.00 0.00 0.00 175.10 175.03 2day s ILE 31 N -0.49 1.07 -0.09 2.22 1.01 0.26 -4.99 121.20 120.18 2day s ILE 31 Ca 0.06 -0.74 -0.12 0.00 0.00 0.00 0.00 60.65 59.85 2day s ILE 31 Cb -0.11 -1.34 -0.05 0.00 0.01 0.00 0.00 42.46 40.97 2day s ILE 31 CO 0.01 -0.00 0.30 -1.59 0.00 0.00 0.00 174.94 173.65 2day s LYS 32 N 1.63 3.92 1.32 2.79 -2.85 -1.26 -0.88 119.74 124.41 2day s LYS 32 Ca -0.01 0.16 -0.21 0.00 -1.00 0.00 0.00 55.97 54.91 2day s LYS 32 Cb -0.16 -3.29 0.33 0.00 -2.06 0.00 0.00 37.83 32.64 2day s LYS 32 CO -0.07 0.54 1.01 0.20 0.10 0.00 0.00 175.35 177.13 2day s GLY 33 N -0.48 1.49 -0.13 0.59 0.00 -1.26 -4.86 107.32 102.69 2day s GLY 33 Ca 0.19 -0.84 -0.00 0.00 0.00 0.00 0.00 44.72 44.06 2day s GLY 33 CO 0.07 0.10 1.89 -2.01 0.00 0.00 0.00 173.10 173.15 2day n ASN 34 N -5.24 5.44 0.00 1.64 2.85 -1.26 -4.85 115.26 113.83 2day n ASN 34 Ca 0.12 -2.63 0.00 0.00 -0.11 0.00 0.00 54.58 51.96 2day n ASN 34 Cb 0.59 -1.02 0.00 0.00 1.24 0.00 0.00 39.78 40.59 2day n ASN 34 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2day n GLY 35 N 0.89 -0.65 0.64 8.20 0.00 -1.26 -5.03 105.19 107.99 2day n GLY 35 Ca 0.13 -0.39 -0.02 0.00 0.00 0.00 0.00 46.02 45.73 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 0.04 -0.33 1.61 0.00 -1.26 -4.69 116.66 112.03 2day n ARG 36 Ca 0.00 0.02 0.28 0.00 -0.00 0.00 0.00 57.85 58.15 2day n ARG 36 Cb 0.00 -0.72 0.60 0.00 0.00 0.00 0.00 32.46 32.34 2day n ARG 36 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.63 179.42 2day h THR 37 N -0.05 0.45 -3.67 5.15 1.35 -1.98 -3.40 112.91 110.76 2day h THR 37 Ca -0.05 -0.08 -0.50 0.00 -0.55 0.00 0.00 66.41 65.23 2day h THR 37 Cb 1.05 0.19 -0.03 0.00 -1.73 0.00 0.00 68.15 67.64 2day h THR 37 CO -0.02 0.04 0.25 -0.94 -0.25 0.00 0.00 175.52 174.61 2day s SER 38 N -5.16 7.42 1.06 5.36 1.04 -1.26 -4.67 113.70 117.49 2day s SER 38 Ca -0.07 1.75 -0.14 0.00 0.48 0.00 0.00 55.95 57.96 2day s SER 38 Cb 0.25 -2.54 0.22 0.00 0.10 0.00 0.00 66.02 64.05 2day s SER 38 CO 0.80 0.12 1.10 -2.16 0.98 0.00 0.00 173.24 174.08 2day s PRO 39 N -1.44 -0.11 -0.05 4.02 0.04 -1.26 -4.68 135.00 131.53 2day s PRO 39 Ca 0.41 0.34 0.01 0.00 0.04 0.00 0.00 61.00 61.80 2day s PRO 39 Cb -0.22 -1.69 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 2day s PRO 39 CO 0.27 -3.05 -0.06 -1.58 0.04 0.00 0.00 177.00 172.62 2day s TRP 40 N -2.97 2.95 -0.11 0.56 0.52 0.34 -3.98 118.94 116.25 2day s TRP 40 Ca 0.67 0.02 -0.01 0.00 0.02 0.00 0.00 56.10 56.81 2day s TRP 40 Cb -0.16 -1.69 -0.02 0.00 -1.15 0.00 0.00 33.47 30.45 2day s TRP 40 CO 0.57 0.36 -0.09 -2.00 0.02 0.00 0.00 176.95 175.82 2day s GLU 41 N -1.01 3.20 -0.01 4.98 2.12 -0.06 -0.75 118.70 127.16 2day s GLU 41 Ca 0.14 -0.60 0.01 0.00 0.36 0.00 0.00 54.97 54.89 2day s GLU 41 Cb -0.11 -2.68 0.00 0.00 0.26 0.00 0.00 34.13 31.60 2day s GLU 41 CO 0.04 0.40 -0.04 0.42 -0.54 0.00 0.00 175.26 175.53 2day s ILE 42 N -0.09 0.38 0.17 -3.70 1.01 -0.32 0.90 121.20 119.55 2day s ILE 42 Ca 0.00 -0.17 0.10 0.00 0.00 0.00 0.00 60.65 60.59 2day s ILE 42 Cb -0.13 -0.35 -0.04 0.00 0.01 0.00 0.00 42.46 41.95 2day s ILE 42 CO 0.03 0.13 -0.20 -0.31 0.00 0.00 0.00 174.94 174.59 2day s TYR 43 N 0.13 2.42 -0.30 3.97 2.02 -0.01 -0.30 117.35 125.28 2day s TYR 43 Ca -0.01 -0.31 -0.13 0.00 -0.37 0.00 0.00 57.07 56.24 2day s TYR 43 Cb -0.05 -1.22 0.16 0.00 -0.40 0.00 0.00 41.96 40.45 2day s TYR 43 CO -0.00 0.47 0.91 -1.50 -1.57 0.00 0.00 175.55 173.86 2day s ILE 44 N -1.54 -0.61 -0.38 2.71 2.07 -0.67 -0.83 121.20 121.97 2day s ILE 44 Ca 0.21 0.00 -0.27 0.00 -1.41 0.00 0.00 60.65 59.18 2day s ILE 44 Cb -0.09 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.52 2day s ILE 44 CO 0.11 0.00 0.99 -0.89 -1.91 0.00 0.00 174.94 173.24 2day s THR 45 N 2.58 4.51 0.20 4.00 2.01 -1.25 -0.28 115.64 127.41 2day s THR 45 Ca -0.02 1.30 0.00 0.00 0.31 0.00 0.00 61.69 63.28 2day s THR 45 Cb -0.08 -4.39 -0.04 0.00 0.01 0.00 0.00 72.50 68.00 2day s THR 45 CO -0.18 -0.60 0.38 -0.76 -0.69 0.00 0.00 174.62 172.77 2day s LEU 46 N 3.66 4.24 0.07 4.42 1.43 -0.97 -4.98 118.68 126.55 2day s LEU 46 Ca 0.41 0.34 0.02 0.00 -1.03 0.00 0.00 54.13 53.87 2day s LEU 46 Cb -0.11 -3.11 -0.03 0.00 0.03 0.00 0.00 46.19 42.96 2day s LEU 46 CO 0.20 -0.04 -0.08 -1.00 0.23 0.00 0.00 176.35 175.66 2day s HIS 47 N -1.88 0.81 0.16 0.29 3.76 -1.26 -3.54 115.29 113.63 2day s HIS 47 Ca 0.38 -0.71 0.31 0.00 -0.15 0.00 0.00 55.06 54.89 2day s HIS 47 Cb -0.11 -0.47 1.28 0.00 1.11 0.00 0.00 32.58 34.39 2day s HIS 47 CO 0.29 -0.11 1.96 -1.00 -0.85 0.00 0.00 174.74 175.04 2day h PRO 48 N 3.70 0.00 -4.28 8.40 0.13 -1.88 -3.45 132.00 134.61 2day h PRO 48 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2day h PRO 48 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2day h PRO 48 CO 0.53 0.08 0.00 0.00 -0.23 0.00 0.00 178.00 178.38 2day n ALA 49 N -2.15 -0.81 -0.05 -0.56 0.00 -1.26 -4.20 120.51 111.49 2day n ALA 49 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2day n ALA 49 Cb 0.33 -0.42 -0.12 0.00 0.00 0.00 0.00 19.45 19.24 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 -2.08 0.61 -1.76 0.00 5.66 -1.26 -5.00 114.28 110.46 2day n THR 50 Ca 0.00 -0.52 -0.40 0.00 -3.05 0.00 0.00 64.05 60.08 2day n THR 50 Cb 0.40 -0.33 0.01 0.00 -1.55 0.00 0.00 70.33 68.87 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 -2.35 2.04 -3.62 1.79 0.00 -1.26 -4.97 120.51 112.15 2day n ALA 51 Ca -0.16 0.27 -0.39 0.00 0.00 0.00 0.00 53.44 53.16 2day n ALA 51 Cb 0.76 -2.39 -0.08 0.00 0.00 0.00 0.00 19.45 17.74 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 -2.34 2.73 -1.69 0.00 2.02 -1.26 -4.71 118.70 113.45 2day s GLU 52 Ca 0.59 -2.35 -0.17 0.00 0.02 0.00 0.00 54.97 53.06 2day s GLU 52 Cb -0.46 -3.90 0.15 0.00 0.10 0.00 0.00 34.13 30.02 2day s GLU 52 CO 0.59 -1.19 0.72 -0.25 0.02 0.00 0.00 175.26 175.14 2day n ASP 53 N 3.88 -2.78 -3.65 -0.19 8.00 -1.26 -4.93 116.55 115.62 2day n ASP 53 Ca 0.06 -1.04 -0.26 0.00 0.71 0.00 0.00 54.79 54.26 2day n ASP 53 Cb 0.40 -2.65 -0.17 0.00 -0.02 0.00 0.00 41.12 38.68 2day n ASP 53 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2day s GLN 54 N -6.94 0.22 0.19 -1.24 0.74 -1.26 -5.04 119.66 106.33 2day s GLN 54 Ca 0.66 -0.12 -0.24 0.00 0.05 0.00 0.00 55.36 55.71 2day s GLN 54 Cb -0.36 -1.74 0.08 0.00 1.10 0.00 0.00 33.01 32.09 2day s GLN 54 CO 0.94 -0.62 1.55 -0.44 -0.55 0.00 0.00 175.29 176.17 2day h ASP 55 N 8.37 -1.74 -1.98 6.67 3.32 -1.99 -3.42 116.42 125.66 2day h ASP 55 Ca -0.15 0.31 -0.59 0.00 0.02 0.00 0.00 57.03 56.61 2day h ASP 55 Cb 1.14 0.82 0.18 0.00 0.22 0.00 0.00 39.33 41.69 2day h ASP 55 CO 0.29 -0.27 -1.17 -0.24 -1.72 0.00 0.00 179.24 176.13 2day n SER 56 N -5.37 -3.71 -2.35 6.45 2.88 -1.26 -2.61 113.62 107.64 2day n SER 56 Ca 0.06 0.64 -0.15 0.00 -1.33 0.00 0.00 58.87 58.08 2day n SER 56 Cb 0.34 -0.84 0.04 0.00 -0.75 0.00 0.00 64.21 63.00 2day n SER 56 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2day n GLN 57 N 1.53 -4.47 -0.18 -1.46 1.13 -1.26 -4.90 117.38 107.76 2day n GLN 57 Ca 0.08 0.57 0.06 0.00 -1.94 0.00 0.00 57.00 55.76 2day n GLN 57 Cb 0.47 -4.76 0.16 0.00 0.11 0.00 0.00 30.24 26.22 2day n GLN 57 CO 0.00 0.00 0.00 2.48 -1.44 0.00 0.00 177.06 178.10 2day n TYR 58 N -4.12 0.47 -0.90 1.08 4.11 -1.07 -4.71 117.16 112.01 2day n TYR 58 Ca -0.03 -0.24 -0.35 0.00 -0.00 0.00 0.00 57.90 57.29 2day n TYR 58 Cb 0.56 0.00 -0.04 0.00 -0.00 0.00 0.00 39.34 39.85 2day n TYR 58 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.86 178.19 2day n VAL 59 N 0.54 0.18 -3.67 -3.48 0.24 -1.26 -4.92 118.33 105.95 2day n VAL 59 Ca 0.12 -0.04 -0.15 0.00 -2.04 0.00 0.00 64.34 62.23 2day n VAL 59 Cb 0.30 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.59 2day n VAL 59 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2day s PHE 61 N -1.10 0.87 -0.26 0.00 -0.12 -1.23 -2.16 117.98 113.98 2day s PHE 61 Ca -0.11 -1.13 -0.05 0.00 -0.05 0.00 0.00 56.93 55.59 2day s PHE 61 Cb -0.03 -0.16 0.01 0.00 -0.63 0.00 0.00 43.02 42.21 2day s PHE 61 CO 0.06 -0.92 0.00 0.99 -0.05 0.00 0.00 175.22 175.30 2day s THR 62 N -3.76 3.51 -0.31 -4.49 2.01 -0.89 -2.28 115.64 109.42 2day s THR 62 Ca 0.31 -0.68 -0.26 0.00 0.31 0.00 0.00 61.69 61.37 2day s THR 62 Cb 0.02 -2.73 0.01 0.00 0.01 0.00 0.00 72.50 69.81 2day s THR 62 CO 0.14 0.24 0.90 -0.22 -0.69 0.00 0.00 174.62 174.99 2day s LEU 63 N 1.45 4.03 -0.25 4.42 0.20 0.61 -1.15 118.68 127.99 2day s LEU 63 Ca 0.03 0.81 -0.07 0.00 0.69 0.00 0.00 54.13 55.59 2day s LEU 63 Cb -0.16 -3.26 -0.02 0.00 -0.43 0.00 0.00 46.19 42.31 2day s LEU 63 CO -0.01 -0.72 0.07 -0.69 -0.29 0.00 0.00 176.35 174.71 2day s VAL 64 N 3.23 4.29 -0.14 1.68 1.01 0.11 -1.66 120.40 128.91 2day s VAL 64 Ca 0.38 -0.22 -0.04 0.00 0.00 0.00 0.00 61.98 62.09 2day s VAL 64 Cb -0.13 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.19 2day s VAL 64 CO 0.14 0.31 0.02 -0.76 0.00 0.00 0.00 175.10 174.80 2day s LEU 65 N 1.61 3.59 -0.37 3.92 1.43 0.60 -0.25 118.68 129.21 2day s LEU 65 Ca 0.06 0.06 0.04 0.00 -1.03 0.00 0.00 54.13 53.26 2day s LEU 65 Cb -0.15 -1.86 0.10 0.00 0.03 0.00 0.00 46.19 44.31 2day s LEU 65 CO 0.04 0.25 0.08 -1.10 0.23 0.00 0.00 176.35 175.85 2day s GLN 66 N -0.13 1.56 -0.37 1.70 1.11 0.40 -1.17 119.66 122.76 2day s GLN 66 Ca 0.05 -1.98 -0.27 0.00 0.01 0.00 0.00 55.36 53.17 2day s GLN 66 Cb -0.12 -3.23 0.02 0.00 -1.01 0.00 0.00 33.01 28.66 2day s GLN 66 CO 0.02 -0.96 1.01 0.08 0.01 0.00 0.00 175.29 175.44 2day s VAL 67 N 0.75 4.50 0.23 1.09 1.01 0.07 0.03 120.40 128.07 2day s VAL 67 Ca 0.12 1.38 -0.04 0.00 0.00 0.00 0.00 61.98 63.44 2day s VAL 67 Cb -0.20 -4.41 0.06 0.00 0.00 0.00 0.00 36.38 31.83 2day s VAL 67 CO -0.07 -0.59 0.20 -0.81 0.00 0.00 0.00 175.10 173.83 2day n PRO 68 N 6.98 -1.43 0.12 2.72 -0.04 -1.26 -0.50 135.00 141.59 2day n PRO 68 Ca 0.09 -0.32 -0.21 0.00 -0.04 0.00 0.00 63.50 63.02 2day n PRO 68 Cb 0.48 -0.30 -0.15 0.00 -0.04 0.00 0.00 33.50 33.48 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 -2.14 -0.01 -0.62 0.55 0.00 -1.87 -3.33 119.26 111.84 2day h ALA 69 Ca -0.08 -0.92 0.04 0.00 0.00 0.00 0.00 54.91 53.96 2day h ALA 69 Cb 0.23 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2day h ALA 69 CO 0.05 0.86 0.36 0.93 0.00 0.00 0.00 179.25 181.45 2day h GLU 70 N 0.11 0.68 -2.93 0.00 4.39 -1.94 -3.45 114.58 111.45 2day h GLU 70 Ca -0.22 -0.04 -0.33 0.00 0.34 0.00 0.00 59.36 59.11 2day h GLU 70 Cb 2.09 -0.15 0.05 0.00 -0.10 0.00 0.00 28.75 30.64 2day h GLU 70 CO 0.23 0.45 -0.25 0.98 -1.16 0.00 0.00 179.01 179.26 2day n TYR 71 N -4.76 -0.22 0.21 4.33 4.19 -1.22 -1.93 117.16 117.75 2day n TYR 71 Ca 0.06 0.47 0.07 0.00 3.31 0.00 0.00 57.90 61.82 2day n TYR 71 Cb 0.12 -0.96 0.43 0.00 0.49 0.00 0.00 39.34 39.42 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 0.52 0.00 -0.78 2.98 0.13 -1.90 -3.44 132.00 129.51 2day h PRO 72 Ca -0.14 0.00 0.29 0.00 -0.87 0.00 0.00 66.00 65.28 2day h PRO 72 Cb 0.70 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 31.73 2day h PRO 72 CO 0.28 0.31 0.48 0.72 -0.23 0.00 0.00 178.00 179.56 2day n HIS 73 N -3.64 0.56 -5.01 1.56 8.25 -0.81 -3.92 115.22 112.21 2day n HIS 73 Ca -0.01 0.57 -0.32 0.00 -0.26 0.00 0.00 57.72 57.70 2day n HIS 73 Cb 0.43 -0.97 -0.15 0.00 1.12 0.00 0.00 29.99 30.42 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 -4.77 2.66 0.37 -0.41 2.12 -1.24 -4.91 118.70 112.52 2day s GLU 74 Ca -0.05 -0.77 -0.27 0.00 0.36 0.00 0.00 54.97 54.24 2day s GLU 74 Cb 0.20 -2.34 -0.09 0.00 0.26 0.00 0.00 34.13 32.16 2day s GLU 74 CO 0.51 0.47 1.21 0.14 -0.54 0.00 0.00 175.26 177.05 2day s VAL 75 N -0.35 3.00 0.11 3.70 -7.23 -1.25 -3.42 120.40 114.96 2day s VAL 75 Ca 0.03 0.90 -0.31 0.00 -1.81 0.00 0.00 61.98 60.79 2day s VAL 75 Cb -0.12 -3.53 -0.08 0.00 0.56 0.00 0.00 36.38 33.21 2day s VAL 75 CO 0.02 0.14 1.37 -2.16 -0.31 0.00 0.00 175.10 174.15 2day s PRO 76 N -2.09 4.33 -0.11 4.82 0.04 -1.26 -4.71 135.00 136.03 2day s PRO 76 Ca 0.54 2.03 -0.29 0.00 0.04 0.00 0.00 61.00 63.32 2day s PRO 76 Cb -0.34 -3.27 -0.06 0.00 0.04 0.00 0.00 34.50 30.87 2day s PRO 76 CO 0.44 -0.42 1.92 -0.65 0.04 0.00 0.00 177.00 178.33 2day s GLN 77 N 1.13 3.76 -0.05 4.56 -0.21 0.10 -4.71 119.66 124.25 2day s GLN 77 Ca 0.64 2.16 -0.21 0.00 0.02 0.00 0.00 55.36 57.97 2day s GLN 77 Cb -0.36 -4.18 -0.04 0.00 1.00 0.00 0.00 33.01 29.43 2day s GLN 77 CO 0.30 -1.36 0.62 0.42 -2.12 0.00 0.00 175.29 173.15 2day s ILE 78 N 5.72 5.02 0.08 1.08 1.09 -1.26 -0.45 121.20 132.48 2day s ILE 78 Ca 0.86 1.28 -0.04 0.00 -1.10 0.00 0.00 60.65 61.65 2day s ILE 78 Cb -0.34 -3.96 -0.03 0.00 -1.06 0.00 0.00 42.46 37.07 2day s ILE 78 CO 0.35 0.33 0.08 -0.44 -0.10 0.00 0.00 174.94 175.16 2day s SER 79 N 0.39 0.31 -0.01 3.58 0.01 0.66 -4.99 113.70 113.65 2day s SER 79 Ca 0.33 -0.91 0.07 0.00 1.31 0.00 0.00 55.95 56.75 2day s SER 79 Cb -0.17 0.28 -0.02 0.00 0.21 0.00 0.00 66.02 66.32 2day s SER 79 CO 0.16 -0.68 -0.21 -0.63 0.41 0.00 0.00 173.24 172.29 2day s ILE 80 N -3.92 1.67 0.02 1.44 1.01 -1.26 0.04 121.20 120.19 2day s ILE 80 Ca 0.10 -0.93 0.04 0.00 0.00 0.00 0.00 60.65 59.85 2day s ILE 80 Cb 0.07 -1.39 -0.02 0.00 0.01 0.00 0.00 42.46 41.13 2day s ILE 80 CO -0.08 0.45 -0.12 -0.60 0.00 0.00 0.00 174.94 174.59 2day s ARG 81 N -0.56 0.86 -1.35 2.79 3.52 -0.30 -4.82 118.95 119.08 2day s ARG 81 Ca 0.08 -0.60 -0.02 0.00 -0.13 0.00 0.00 55.73 55.06 2day s ARG 81 Cb -0.08 -0.83 0.01 0.00 -1.56 0.00 0.00 34.95 32.49 2day s ARG 81 CO -0.01 0.21 0.74 -1.71 -0.81 0.00 0.00 175.30 173.72 2day n ASN 82 N 2.23 -1.74 -4.55 -2.12 5.15 -1.26 -2.10 115.26 110.87 2day n ASN 82 Ca -0.17 -0.82 -0.37 0.00 -0.60 0.00 0.00 54.58 52.63 2day n ASN 82 Cb 0.55 -3.99 -0.03 0.00 -0.53 0.00 0.00 39.78 35.78 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 -6.11 2.61 -0.11 1.20 0.04 -1.26 -4.31 135.00 127.06 2day s PRO 83 Ca 0.11 0.46 0.01 0.00 0.04 0.00 0.00 61.00 61.62 2day s PRO 83 Cb -0.06 -4.50 -0.02 0.00 0.04 0.00 0.00 34.50 29.96 2day s PRO 83 CO 0.82 -2.84 -0.13 0.50 0.04 0.00 0.00 177.00 175.38 2day s ARG 84 N 7.04 3.18 0.00 4.56 3.52 -0.92 -4.62 118.95 131.71 2day s ARG 84 Ca 0.68 -0.68 0.00 0.00 -0.13 0.00 0.00 55.73 55.59 2day s ARG 84 Cb -0.12 -2.58 0.00 0.00 -1.56 0.00 0.00 34.95 30.70 2day s ARG 84 CO 0.17 0.32 0.00 0.41 -0.81 0.00 0.00 175.30 175.39 2day n GLY 85 N 3.22 3.05 3.96 8.12 0.00 -1.26 -0.46 105.19 121.82 2day n GLY 85 Ca -0.18 -0.81 -0.23 0.00 0.00 0.00 0.00 46.02 44.81 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 3.66 0.46 0.99 1.43 -1.26 -4.85 118.68 119.10 2day s LEU 86 Ca 0.00 0.25 0.06 0.00 -1.03 0.00 0.00 54.13 53.41 2day s LEU 86 Cb 0.00 -3.13 -0.02 0.00 0.03 0.00 0.00 46.19 43.07 2day s LEU 86 CO 0.00 -0.70 0.24 -0.94 0.23 0.00 0.00 176.35 175.18 2day s SER 87 N -4.22 4.51 0.25 2.29 1.04 -1.26 -4.93 113.70 111.39 2day s SER 87 Ca 0.48 -1.15 -0.06 0.00 0.48 0.00 0.00 55.95 55.70 2day s SER 87 Cb -0.10 -0.15 0.47 0.00 0.10 0.00 0.00 66.02 66.34 2day s SER 87 CO 0.37 -0.74 1.62 0.44 0.98 0.00 0.00 173.24 175.92 2day h ASP 88 N 1.20 -0.41 0.13 7.02 5.19 -1.99 0.61 116.42 128.17 2day h ASP 88 Ca -0.41 0.21 -0.00 0.00 -0.62 0.00 0.00 57.03 56.21 2day h ASP 88 Cb 1.27 0.38 -0.02 0.00 0.18 0.00 0.00 39.33 41.15 2day h ASP 88 CO 0.66 -0.21 -0.22 -0.08 -3.12 0.00 0.00 179.24 176.27 2day h GLU 89 N 0.08 -0.36 -0.54 3.56 4.81 -1.99 0.87 114.58 121.02 2day h GLU 89 Ca 0.43 0.02 0.11 0.00 -0.13 0.00 0.00 59.36 59.80 2day h GLU 89 Cb 0.77 0.08 -0.10 0.00 0.63 0.00 0.00 28.75 30.14 2day h GLU 89 CO -0.72 -0.24 -0.10 1.96 -0.73 0.00 0.00 179.01 179.18 2day h GLN 90 N -0.37 0.02 0.15 1.92 1.08 -1.78 -0.72 115.11 115.42 2day h GLN 90 Ca -0.01 -0.00 0.01 0.00 -1.45 0.00 0.00 58.65 57.20 2day h GLN 90 Cb 0.35 -0.01 -0.05 0.00 -0.05 0.00 0.00 27.48 27.73 2day h GLN 90 CO -0.08 0.01 -0.50 0.82 -0.95 0.00 0.00 178.83 178.14 2day h ILE 91 N 0.02 0.04 -0.99 2.54 2.04 -0.63 0.12 117.51 120.66 2day h ILE 91 Ca 0.26 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.30 2day h ILE 91 Cb 0.40 0.04 -0.10 0.00 -0.74 0.00 0.00 36.82 36.43 2day h ILE 91 CO -0.53 0.00 0.61 -0.74 0.00 0.00 0.00 178.15 177.49 2day h HIS 92 N -0.76 1.00 0.61 1.37 2.76 -0.24 -2.32 115.15 117.58 2day h HIS 92 Ca -0.00 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.17 2day h HIS 92 Cb 0.76 -0.31 0.01 0.00 1.55 0.00 0.00 27.41 29.42 2day h HIS 92 CO -0.42 0.26 -0.29 1.15 -1.30 0.00 0.00 177.93 177.33 2day h THR 93 N 0.75 0.28 -0.38 6.26 2.02 -0.06 -2.30 112.91 119.48 2day h THR 93 Ca 0.55 -0.28 0.11 0.00 0.77 0.00 0.00 66.41 67.56 2day h THR 93 Cb 0.86 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 2day h THR 93 CO -0.33 0.03 0.83 0.40 0.37 0.00 0.00 175.52 176.83 2day h ILE 94 N -1.03 0.06 0.00 3.11 2.04 -0.24 0.66 117.51 122.11 2day h ILE 94 Ca -0.08 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.78 2day h ILE 94 Cb 0.68 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 2day h ILE 94 CO 0.14 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.47 2day n LEU 95 N -3.01 0.18 -0.41 1.44 4.77 -1.00 -3.26 117.00 115.70 2day n LEU 95 Ca 0.08 0.36 0.35 0.00 -0.03 0.00 0.00 56.01 56.77 2day n LEU 95 Cb 0.97 -0.46 0.67 0.00 -2.33 0.00 0.00 43.42 42.27 2day n LEU 95 CO 0.15 -0.46 1.30 0.06 -1.33 0.00 0.00 177.39 177.10 2day h GLN 96 N 0.00 0.12 0.61 3.23 -0.00 -0.85 0.36 115.11 118.58 2day h GLN 96 Ca 0.00 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.65 58.61 2day h GLN 96 Cb 0.00 -0.03 0.01 0.00 -0.00 0.00 0.00 27.48 27.46 2day h GLN 96 CO 0.00 0.08 -0.29 0.28 -0.00 0.00 0.00 178.83 178.90 2day h VAL 97 N 0.13 0.00 -0.82 1.86 2.07 -1.06 -3.07 116.25 115.36 2day h VAL 97 Ca 0.70 -0.16 0.08 0.00 0.82 0.00 0.00 66.70 68.14 2day h VAL 97 Cb 2.37 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 32.08 2day h VAL 97 CO -0.20 0.00 0.48 -0.07 0.02 0.00 0.00 177.57 177.80 2day h LEU 98 N -0.98 0.70 -0.82 2.57 3.38 -1.17 -2.18 115.31 116.80 2day h LEU 98 Ca -0.08 0.04 0.20 0.00 0.09 0.00 0.00 57.88 58.13 2day h LEU 98 Cb 0.63 -0.10 -0.14 0.00 0.09 0.00 0.00 40.66 41.14 2day h LEU 98 CO 0.14 0.42 0.10 1.23 0.09 0.00 0.00 178.44 180.42 2day h GLY 99 N 0.82 1.08 0.71 0.83 0.00 -1.00 -0.25 103.07 105.26 2day h GLY 99 Ca 0.38 0.05 -0.01 0.00 0.00 0.00 0.00 47.33 47.75 2day h GLY 99 CO -0.22 -0.33 -0.01 0.84 0.00 0.00 0.00 176.54 176.81 2day h HIS 100 N 0.14 0.15 -0.96 5.60 -0.00 -1.30 -3.01 115.15 115.76 2day h HIS 100 Ca 0.48 -0.03 0.21 0.00 -0.00 0.00 0.00 60.37 61.03 2day h HIS 100 Cb 0.91 -0.04 -0.08 0.00 -0.00 0.00 0.00 27.41 28.20 2day h HIS 100 CO -0.36 0.44 0.62 0.28 -0.00 0.00 0.00 177.93 178.91 2day h VAL 101 N -0.19 0.66 -0.21 5.26 2.07 -0.91 -1.24 116.25 121.70 2day h VAL 101 Ca 0.02 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.42 2day h VAL 101 Cb 0.39 0.10 -0.06 0.00 -1.52 0.00 0.00 31.29 30.20 2day h VAL 101 CO 0.01 0.09 -0.19 0.00 0.02 0.00 0.00 177.57 177.50 2day h ALA 102 N 1.62 -0.07 -0.09 1.67 0.00 -0.99 -0.87 119.26 120.53 2day h ALA 102 Ca 0.53 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.46 2day h ALA 102 Cb 1.15 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 2day h ALA 102 CO -0.26 -0.62 -0.18 0.87 0.00 0.00 0.00 179.25 179.06 2day h LYS 103 N -0.21 0.14 0.00 0.00 1.57 -1.31 -1.62 116.57 115.14 2day h LYS 103 Ca 0.13 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2day h LYS 103 Cb 0.40 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.69 2day h LYS 103 CO -0.33 0.33 0.00 0.00 -0.57 0.00 0.00 179.45 178.88 2day n ALA 104 N -2.49 1.47 -2.76 3.86 0.00 -0.35 -2.60 120.51 117.65 2day n ALA 104 Ca -0.01 -0.03 -0.01 0.00 0.00 0.00 0.00 53.44 53.39 2day n ALA 104 Cb 0.28 -1.11 0.07 0.00 0.00 0.00 0.00 19.45 18.70 2day n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2day n GLY 105 N -0.73 1.79 3.85 0.00 0.00 -0.63 -5.08 105.19 104.39 2day n GLY 105 Ca 0.03 -0.77 -0.31 0.00 0.00 0.00 0.00 46.02 44.97 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 -3.62 2.99 0.00 0.99 1.43 -1.07 -3.82 118.68 115.58 2day s LEU 106 Ca 0.22 1.35 0.00 0.00 -1.03 0.00 0.00 54.13 54.67 2day s LEU 106 Cb 0.35 -4.21 0.00 0.00 0.03 0.00 0.00 46.19 42.36 2day s LEU 106 CO -0.07 -1.34 0.00 0.61 0.23 0.00 0.00 176.35 175.78 2day n GLY 107 N -2.55 3.08 3.33 -3.19 0.00 -1.26 -4.95 105.19 99.65 2day n GLY 107 Ca 0.07 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.53 0.01 -0.00 2.61 -4.23 -1.25 -4.89 115.64 106.36 2day s THR 108 Ca 0.00 -1.78 -0.39 0.00 -1.18 0.00 0.00 61.69 58.34 2day s THR 108 Cb 0.00 -2.36 -0.19 0.00 1.34 0.00 0.00 72.50 71.30 2day s THR 108 CO 0.00 -0.03 1.21 0.00 -0.54 0.00 0.00 174.62 175.26 2day n ALA 109 N -0.30 -2.47 0.00 3.99 0.00 -1.26 -4.84 120.51 115.63 2day n ALA 109 Ca 0.00 0.56 0.00 0.00 0.00 0.00 0.00 53.44 54.00 2day n ALA 109 Cb 0.64 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 18.20 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 2.11 1.85 -0.25 0.00 3.85 -1.26 -4.81 117.12 118.61 2day n MET 110 Ca 0.20 0.00 0.08 0.00 -1.00 0.00 0.00 57.70 56.98 2day n MET 110 Cb 0.12 -0.77 0.16 0.00 -1.05 0.00 0.00 33.22 31.68 2day n MET 110 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2day n LEU 111 N -1.43 -0.15 0.28 3.17 4.77 -1.26 0.40 117.00 122.78 2day n LEU 111 Ca 0.00 1.21 -0.18 0.00 -0.03 0.00 0.00 56.01 57.00 2day n LEU 111 Cb 0.27 -0.41 -0.10 0.00 -2.33 0.00 0.00 43.42 40.85 2day n LEU 111 CO 0.00 -1.20 0.53 0.22 -1.33 0.00 0.00 177.39 175.61 2day h TYR 112 N 0.00 -1.43 -0.02 -1.77 3.20 -2.00 -1.88 116.97 113.08 2day h TYR 112 Ca 0.39 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.31 2day h TYR 112 Cb 0.74 0.56 -0.05 0.00 1.54 0.00 0.00 36.73 39.52 2day h TYR 112 CO -0.43 -0.68 -0.26 1.49 -1.64 0.00 0.00 178.16 176.64 2day h GLU 113 N -1.00 -0.37 -0.85 1.82 4.81 -0.39 -2.24 114.58 116.36 2day h GLU 113 Ca -0.06 0.03 0.17 0.00 -0.13 0.00 0.00 59.36 59.37 2day h GLU 113 Cb 0.88 0.09 -0.16 0.00 0.63 0.00 0.00 28.75 30.18 2day h GLU 113 CO -0.08 -0.25 -0.20 -0.07 -0.73 0.00 0.00 179.01 177.68 2day h LEU 114 N -0.39 -0.77 0.14 1.64 3.38 -0.89 -1.96 115.31 116.45 2day h LEU 114 Ca 0.07 0.25 -0.00 0.00 0.09 0.00 0.00 57.88 58.29 2day h LEU 114 Cb 0.48 0.52 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 2day h LEU 114 CO -0.24 -0.28 -0.14 0.40 0.09 0.00 0.00 178.44 178.28 2day h ILE 115 N 0.00 0.00 -0.76 1.22 2.04 -0.74 -1.86 117.51 117.41 2day h ILE 115 Ca 0.41 0.00 0.31 0.00 1.00 0.00 0.00 64.86 66.58 2day h ILE 115 Cb 0.64 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.58 2day h ILE 115 CO -0.87 0.00 0.37 -0.62 0.00 0.00 0.00 178.15 177.04 2day n GLU 116 N -3.13 -0.05 0.14 2.37 -0.58 -0.79 0.12 120.64 118.72 2day n GLU 116 Ca -0.03 1.06 -0.13 0.00 -0.42 0.00 0.00 57.16 57.64 2day n GLU 116 Cb 0.12 -1.89 -0.08 0.00 -0.57 0.00 0.00 31.44 29.03 2day n GLU 116 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 2day h LYS 117 N 0.00 -0.33 -0.92 3.49 1.63 -0.87 -2.93 116.57 116.64 2day h LYS 117 Ca 0.63 0.02 0.21 0.00 -0.85 0.00 0.00 60.65 60.67 2day h LYS 117 Cb 1.64 0.08 -0.17 0.00 -0.60 0.00 0.00 32.23 33.18 2day h LYS 117 CO -0.60 -0.04 -0.12 0.41 -3.45 0.00 0.00 179.45 175.65 2day n GLY 118 N -0.45 -1.41 0.31 5.01 0.00 0.32 -0.54 105.19 108.42 2day n GLY 118 Ca -0.09 0.94 -0.16 0.00 0.00 0.00 0.00 46.02 46.72 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 -0.69 -0.80 1.61 1.57 -1.50 -3.07 116.57 113.69 2day h LYS 119 Ca 0.49 0.05 0.19 0.00 -1.87 0.00 0.00 60.65 59.51 2day h LYS 119 Cb 0.88 0.16 -0.13 0.00 0.08 0.00 0.00 32.23 33.22 2day h LYS 119 CO -0.91 -0.40 0.16 0.93 -0.57 0.00 0.00 179.45 178.66 2day h GLU 120 N -0.89 0.21 -0.53 3.15 5.08 -0.63 -0.71 114.58 120.26 2day h GLU 120 Ca -0.07 -0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.37 2day h GLU 120 Cb 0.62 -0.05 -0.11 0.00 0.50 0.00 0.00 28.75 29.71 2day h GLU 120 CO 0.12 0.14 -0.31 0.82 -1.00 0.00 0.00 179.01 178.78 2day h ILE 121 N 0.21 0.22 -0.20 3.13 2.04 -0.84 -1.26 117.51 120.81 2day h ILE 121 Ca 0.47 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.38 2day h ILE 121 Cb 0.86 0.22 -0.06 0.00 -0.74 0.00 0.00 36.82 37.10 2day h ILE 121 CO -0.60 0.00 -0.16 -0.07 0.00 0.00 0.00 178.15 177.32 2day h LEU 122 N -0.17 -0.52 -9.42 1.44 3.38 -1.10 -3.40 115.31 105.51 2day h LEU 122 Ca 0.22 0.10 -0.55 0.00 0.09 0.00 0.00 57.88 57.74 2day h LEU 122 Cb 0.54 0.26 0.03 0.00 0.09 0.00 0.00 40.66 41.58 2day h LEU 122 CO -0.63 -0.20 1.12 -0.24 0.09 0.00 0.00 178.44 178.58 2day n SER 123 N -5.32 3.90 0.00 -0.43 2.88 -0.48 -4.89 113.62 109.28 2day n SER 123 Ca -0.02 0.97 0.00 0.00 -1.33 0.00 0.00 58.87 58.49 2day n SER 123 Cb 0.23 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.19 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 4.29 3.05 0.00 0.46 0.00 -1.26 -4.93 105.19 106.80 2day n GLY 124 Ca 0.19 -0.76 0.07 0.00 0.00 0.00 0.00 46.02 45.53 2day n GLY 124 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2day n PRO 125 N -0.91 0.48 -1.85 1.61 -0.04 -1.26 -4.82 135.00 128.22 2day n PRO 125 Ca 0.00 0.00 -0.40 0.00 -0.04 0.00 0.00 63.50 63.06 2day n PRO 125 Cb 0.00 -1.44 0.01 0.00 -0.04 0.00 0.00 33.50 32.03 2day n PRO 125 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 2day s SER 126 N -1.95 5.93 -0.23 3.54 1.04 -1.26 -5.01 113.70 115.76 2day s SER 126 Ca 0.21 2.86 -0.27 0.00 0.48 0.00 0.00 55.95 59.22 2day s SER 126 Cb 0.09 -2.65 0.13 0.00 0.10 0.00 0.00 66.02 63.69 2day s SER 126 CO 0.16 -1.13 1.05 -0.94 0.98 0.00 0.00 173.24 173.35 2day s SER 127 N -0.57 -0.38 0.00 7.02 1.04 -1.26 -5.14 113.70 114.41 2day s SER 127 Ca 0.61 0.60 0.00 0.00 0.48 0.00 0.00 55.95 57.63 2day s SER 127 Cb -0.42 0.55 0.00 0.00 0.10 0.00 0.00 66.02 66.25 2day s SER 127 CO 0.54 -0.23 0.23 0.61 0.98 0.00 0.00 173.24 175.37