#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x1e n GLU 2 N 0.00 0.00 -2.47 0.03 0.00 -1.25 -4.79 120.64 112.16 1x1e n GLU 2 Ca 0.00 0.11 -0.41 0.00 0.00 0.00 0.00 57.16 56.86 1x1e n GLU 2 Cb 0.00 -0.50 -0.04 0.00 0.00 0.00 0.00 31.44 30.90 1x1e n GLU 2 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1x1e s ARG 3 N -0.33 4.57 -0.19 5.31 0.52 -1.26 -4.85 118.95 122.71 1x1e s ARG 3 Ca 0.00 1.77 -0.08 0.00 -0.52 0.00 0.00 55.73 56.90 1x1e s ARG 3 Cb 0.00 -3.26 -0.04 0.00 0.52 0.00 0.00 34.95 32.17 1x1e s ARG 3 CO 0.00 0.04 0.08 0.15 0.02 0.00 0.00 175.30 175.59 1x1e s LYS 4 N -0.45 4.03 0.00 3.54 3.01 -1.26 -1.09 119.74 127.52 1x1e s LYS 4 Ca 0.50 -0.31 0.04 0.00 -1.01 0.00 0.00 55.97 55.19 1x1e s LYS 4 Cb -0.31 -3.28 -0.01 0.00 -1.01 0.00 0.00 37.83 33.22 1x1e s LYS 4 CO 0.36 0.26 -0.13 0.00 0.51 0.00 0.00 175.35 176.35 1x1e s ALA 5 N 0.43 1.11 -0.16 5.17 0.00 -0.37 -0.69 121.76 127.24 1x1e s ALA 5 Ca 0.05 -0.62 -0.01 0.00 0.00 0.00 0.00 51.96 51.37 1x1e s ALA 5 Cb -0.12 -0.26 -0.01 0.00 0.00 0.00 0.00 23.12 22.73 1x1e s ALA 5 CO -0.00 0.26 -0.11 -1.17 0.00 0.00 0.00 175.76 174.73 1x1e s LEU 6 N -0.49 2.69 -0.22 0.00 2.96 0.09 -0.60 118.68 123.13 1x1e s LEU 6 Ca 0.04 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.57 1x1e s LEU 6 Cb -0.06 -1.63 0.05 0.00 0.50 0.00 0.00 46.19 45.05 1x1e s LEU 6 CO -0.00 0.09 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.35 1x1e s VAL 7 N 0.81 1.60 0.38 1.68 1.01 -0.46 -0.91 120.40 124.51 1x1e s VAL 7 Ca -0.04 -1.11 -0.18 0.00 0.00 0.00 0.00 61.98 60.64 1x1e s VAL 7 Cb -0.15 -1.76 -0.10 0.00 0.00 0.00 0.00 36.38 34.37 1x1e s VAL 7 CO 0.01 0.04 0.85 0.42 0.00 0.00 0.00 175.10 176.42 1x1e s THR 8 N 1.39 4.53 -1.45 3.92 -4.23 0.14 -1.49 115.64 118.44 1x1e s THR 8 Ca -0.04 1.23 0.00 0.00 -1.18 0.00 0.00 61.69 61.71 1x1e s THR 8 Cb -0.17 -3.60 0.00 0.00 1.34 0.00 0.00 72.50 70.06 1x1e s THR 8 CO -0.07 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.36 1x1e n GLY 9 N -0.51 0.59 0.07 3.99 0.00 0.97 -1.70 105.19 108.60 1x1e n GLY 9 Ca 0.05 -0.27 0.04 0.00 0.00 0.00 0.00 46.02 45.84 1x1e n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x1e n GLY 10 N -1.06 -0.83 0.00 -0.02 0.00 -1.16 -3.64 105.19 98.49 1x1e n GLY 10 Ca -0.17 -0.08 0.09 0.00 0.00 0.00 0.00 46.02 45.86 1x1e n GLY 10 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1x1e n SER 11 N -0.49 0.88 -4.17 1.61 3.41 -1.26 -3.49 113.62 110.11 1x1e n SER 11 Ca 0.06 -0.89 -0.11 0.00 -0.26 0.00 0.00 58.87 57.68 1x1e n SER 11 Cb 0.06 1.07 -0.10 0.00 -0.26 0.00 0.00 64.21 64.98 1x1e n SER 11 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1x1e s ARG 12 N -2.90 0.98 0.00 4.33 0.52 -1.24 -4.81 118.95 115.83 1x1e s ARG 12 Ca 0.06 -1.47 0.00 0.00 -0.52 0.00 0.00 55.73 53.81 1x1e s ARG 12 Cb 0.15 0.10 0.00 0.00 0.52 0.00 0.00 34.95 35.72 1x1e s ARG 12 CO 0.81 -0.23 0.00 0.41 0.02 0.00 0.00 175.30 176.31 1x1e n GLY 13 N -0.14 2.24 0.26 -3.53 0.00 -1.26 -1.43 105.19 101.34 1x1e n GLY 13 Ca -0.06 -0.03 -0.05 0.00 0.00 0.00 0.00 46.02 45.88 1x1e n GLY 13 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1x1e h ILE 14 N 0.00 1.15 -0.62 -0.61 2.04 -1.90 -2.42 117.51 115.15 1x1e h ILE 14 Ca 0.00 -0.30 0.06 0.00 1.00 0.00 0.00 64.86 65.62 1x1e h ILE 14 Cb 0.00 0.19 -0.05 0.00 -0.74 0.00 0.00 36.82 36.21 1x1e h ILE 14 CO 0.00 0.16 0.32 1.23 0.00 0.00 0.00 178.15 179.87 1x1e h GLY 15 N 0.89 0.90 0.98 5.37 0.00 -1.61 -0.05 103.07 109.54 1x1e h GLY 15 Ca 0.25 -0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 1x1e h GLY 15 CO -0.06 0.12 0.18 -0.09 0.00 0.00 0.00 176.54 176.69 1x1e h ARG 16 N 0.60 0.79 -0.72 4.80 2.43 -1.00 -1.59 114.38 119.69 1x1e h ARG 16 Ca 0.28 -0.16 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 1x1e h ARG 16 Cb 0.20 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 1x1e h ARG 16 CO -0.19 0.72 0.35 0.00 -1.51 0.00 0.00 179.97 179.33 1x1e h ALA 17 N 1.04 1.25 -0.41 2.80 0.00 -0.91 -0.70 119.26 122.32 1x1e h ALA 17 Ca 0.17 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1x1e h ALA 17 Cb 0.24 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1x1e h ALA 17 CO -0.01 0.58 -0.01 0.82 0.00 0.00 0.00 179.25 180.63 1x1e h ILE 18 N 1.02 1.26 -0.66 0.00 2.04 -0.75 -0.93 117.51 119.50 1x1e h ILE 18 Ca 0.25 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 65.09 1x1e h ILE 18 Cb 0.10 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.26 1x1e h ILE 18 CO -0.03 0.35 0.43 0.00 0.00 0.00 0.00 178.15 178.89 1x1e h ALA 19 N 0.89 0.83 -0.55 1.87 0.00 -0.83 -0.57 119.26 120.90 1x1e h ALA 19 Ca 0.12 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1x1e h ALA 19 Cb 0.49 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1x1e h ALA 19 CO 0.02 0.28 0.26 1.49 0.00 0.00 0.00 179.25 181.30 1x1e h GLU 20 N 0.89 0.79 -0.66 0.00 4.81 -0.93 -0.90 114.58 118.59 1x1e h GLU 20 Ca 0.24 -0.12 -0.05 0.00 -0.13 0.00 0.00 59.36 59.30 1x1e h GLU 20 Cb -0.08 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.13 1x1e h GLU 20 CO -0.05 0.65 0.20 0.00 -0.73 0.00 0.00 179.01 179.08 1x1e h ALA 21 N 1.10 1.12 -0.45 2.92 0.00 -0.72 -1.51 119.26 121.71 1x1e h ALA 21 Ca 0.19 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 1x1e h ALA 21 Cb 0.13 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1x1e h ALA 21 CO -0.02 0.61 -0.09 -0.07 0.00 0.00 0.00 179.25 179.68 1x1e h LEU 22 N 0.97 0.86 -1.19 0.00 3.38 -0.74 -2.25 115.31 116.33 1x1e h LEU 22 Ca 0.21 -0.35 0.01 0.00 0.09 0.00 0.00 57.88 57.84 1x1e h LEU 22 Cb 0.28 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 1x1e h LEU 22 CO -0.01 1.01 0.53 0.58 0.09 0.00 0.00 178.44 180.64 1x1e h VAL 23 N 0.69 1.21 0.00 1.22 2.07 -0.90 -0.76 116.25 119.78 1x1e h VAL 23 Ca 0.12 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.22 1x1e h VAL 23 Cb 0.62 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1x1e h VAL 23 CO 0.04 0.21 -0.11 0.00 0.02 0.00 0.00 177.57 177.73 1x1e h ALA 24 N 1.48 1.61 -0.01 1.67 0.00 -0.82 0.16 119.26 123.35 1x1e h ALA 24 Ca 0.30 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1x1e h ALA 24 Cb -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1x1e h ALA 24 CO -0.06 0.14 0.00 0.54 0.00 0.00 0.00 179.25 179.87 1x1e n ARG 25 N -4.11 1.22 -0.61 0.00 1.74 -0.34 -4.89 116.66 109.67 1x1e n ARG 25 Ca -0.02 -0.32 0.00 0.00 -0.77 0.00 0.00 57.85 56.74 1x1e n ARG 25 Cb 0.19 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 1x1e n ARG 25 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1x1e n GLY 26 N 1.05 0.66 3.85 -0.13 0.00 0.04 -5.06 105.19 105.60 1x1e n GLY 26 Ca 0.22 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 1x1e n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x1e s TYR 27 N -2.00 3.46 -0.37 1.61 1.51 -0.93 -3.89 117.35 116.73 1x1e s TYR 27 Ca 0.00 1.33 -0.18 0.00 -1.01 0.00 0.00 57.07 57.21 1x1e s TYR 27 Cb 0.00 -2.68 0.00 0.00 -0.11 0.00 0.00 41.96 39.17 1x1e s TYR 27 CO 0.00 -0.28 0.52 0.50 -1.11 0.00 0.00 175.55 175.18 1x1e s ARG 28 N -3.99 3.49 0.01 -0.62 3.52 -0.25 -4.45 118.95 116.66 1x1e s ARG 28 Ca 0.56 -0.28 0.02 0.00 -0.13 0.00 0.00 55.73 55.90 1x1e s ARG 28 Cb -0.10 -3.85 -0.04 0.00 -1.56 0.00 0.00 34.95 29.40 1x1e s ARG 28 CO 0.31 -0.72 -0.02 0.08 -0.81 0.00 0.00 175.30 174.14 1x1e s VAL 29 N 2.41 3.98 -0.09 7.11 1.01 -1.26 -1.24 120.40 132.32 1x1e s VAL 29 Ca 0.18 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.51 1x1e s VAL 29 Cb -0.15 -2.77 -0.01 0.00 0.00 0.00 0.00 36.38 33.45 1x1e s VAL 29 CO 0.14 0.36 -0.22 0.00 0.00 0.00 0.00 175.10 175.38 1x1e s ALA 30 N -1.08 2.25 -0.19 5.51 0.00 0.23 -0.31 121.76 128.18 1x1e s ALA 30 Ca 0.19 -0.98 -0.05 0.00 0.00 0.00 0.00 51.96 51.12 1x1e s ALA 30 Cb -0.11 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 1x1e s ALA 30 CO 0.10 0.33 0.01 0.42 0.00 0.00 0.00 175.76 176.62 1x1e s ILE 31 N 0.16 4.11 -0.10 0.00 1.01 0.11 -1.35 121.20 125.14 1x1e s ILE 31 Ca -0.12 -0.27 0.03 0.00 0.00 0.00 0.00 60.65 60.29 1x1e s ILE 31 Cb -0.16 -2.85 -0.01 0.00 0.01 0.00 0.00 42.46 39.45 1x1e s ILE 31 CO 0.07 0.44 -0.19 0.00 0.00 0.00 0.00 174.94 175.26 1x1e s ALA 32 N 0.76 2.39 -0.03 9.38 0.00 -0.56 -0.86 121.76 132.84 1x1e s ALA 32 Ca 0.01 -0.95 -0.29 0.00 0.00 0.00 0.00 51.96 50.72 1x1e s ALA 32 Cb -0.14 -0.96 0.11 0.00 0.00 0.00 0.00 23.12 22.13 1x1e s ALA 32 CO 0.02 0.33 1.30 -1.54 0.00 0.00 0.00 175.76 175.87 1x1e s SER 33 N 0.14 -0.01 0.27 0.00 1.04 -1.23 -0.02 113.70 113.89 1x1e s SER 33 Ca -0.10 -0.16 -0.01 0.00 0.48 0.00 0.00 55.95 56.16 1x1e s SER 33 Cb -0.16 0.13 0.36 0.00 0.10 0.00 0.00 66.02 66.45 1x1e s SER 33 CO 0.06 -0.25 1.76 0.03 0.98 0.00 0.00 173.24 175.82 1x1e h ARG 34 N 2.00 0.75 -2.32 4.02 3.08 -1.75 0.78 114.38 120.93 1x1e h ARG 34 Ca -0.25 -0.20 -0.59 0.00 0.07 0.00 0.00 59.98 59.01 1x1e h ARG 34 Cb 1.19 -0.09 -0.39 0.00 0.08 0.00 0.00 29.97 30.76 1x1e h ARG 34 CO 0.30 0.77 -0.93 0.09 -1.07 0.00 0.00 179.97 179.14 1x1e n ASN 35 N -4.21 0.60 0.01 7.04 4.13 -1.26 -4.45 115.26 117.12 1x1e n ASN 35 Ca 0.02 -2.69 0.13 0.00 1.68 0.00 0.00 54.58 53.72 1x1e n ASN 35 Cb 0.30 -0.62 0.36 0.00 -1.54 0.00 0.00 39.78 38.29 1x1e n ASN 35 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 1x1e n PRO 36 N 2.07 0.04 -0.14 3.52 -0.04 -1.26 -4.59 135.00 134.60 1x1e n PRO 36 Ca 0.26 0.02 -0.10 0.00 -0.04 0.00 0.00 63.50 63.63 1x1e n PRO 36 Cb 0.47 -1.53 -0.08 0.00 -0.04 0.00 0.00 33.50 32.32 1x1e n PRO 36 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1x1e h GLU 37 N 0.00 -0.24 -0.56 0.54 3.07 -1.93 0.26 114.58 115.71 1x1e h GLU 37 Ca 0.00 0.02 0.03 0.00 -0.50 0.00 0.00 59.36 58.90 1x1e h GLU 37 Cb 0.54 0.06 -0.04 0.00 -0.84 0.00 0.00 28.75 28.46 1x1e h GLU 37 CO 0.00 -0.16 0.33 1.49 -1.40 0.00 0.00 179.01 179.27 1x1e h GLU 38 N -0.25 0.63 -0.43 2.33 4.81 -2.00 -1.82 114.58 117.85 1x1e h GLU 38 Ca 0.07 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.22 1x1e h GLU 38 Cb 0.43 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.65 1x1e h GLU 38 CO -0.50 0.42 0.13 0.00 -0.73 0.00 0.00 179.01 178.33 1x1e h ALA 39 N 1.25 0.57 -0.85 2.92 0.00 -1.80 -1.63 119.26 119.72 1x1e h ALA 39 Ca 0.23 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1x1e h ALA 39 Cb 0.04 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1x1e h ALA 39 CO -0.10 0.23 0.53 0.00 0.00 0.00 0.00 179.25 179.90 1x1e h ALA 40 N 0.98 1.08 -0.41 0.00 0.00 -0.70 0.83 119.26 121.04 1x1e h ALA 40 Ca 0.14 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 1x1e h ALA 40 Cb 0.28 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1x1e h ALA 40 CO -0.00 0.52 -0.30 0.37 0.00 0.00 0.00 179.25 179.85 1x1e h GLN 41 N 1.16 0.90 -0.36 0.00 -0.00 -1.21 0.34 115.11 115.94 1x1e h GLN 41 Ca 0.31 -0.42 -0.16 0.00 -0.00 0.00 0.00 58.65 58.38 1x1e h GLN 41 Cb -0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 27.48 27.39 1x1e h GLN 41 CO -0.06 1.07 -0.40 0.77 0.00 0.00 0.00 178.83 180.21 1x1e h SER 42 N 0.76 0.97 1.30 -0.69 0.02 -0.89 -3.25 113.55 111.77 1x1e h SER 42 Ca 0.08 -0.48 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1x1e h SER 42 Cb 0.86 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1x1e h SER 42 CO 0.08 1.26 -0.59 -0.07 -1.14 0.00 0.00 176.83 176.36 1x1e h LEU 43 N 0.71 0.00 -1.33 5.07 3.38 -0.81 -3.48 115.31 118.86 1x1e h LEU 43 Ca 0.05 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1x1e h LEU 43 Cb 1.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1x1e h LEU 43 CO 0.10 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.26 1x1e n GLY 44 N 1.19 0.73 3.56 0.83 0.00 0.40 -4.98 105.19 106.92 1x1e n GLY 44 Ca 0.02 -0.54 -0.26 0.00 0.00 0.00 0.00 46.02 45.24 1x1e n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x1e s ALA 45 N -2.87 2.95 -0.12 4.61 0.00 0.91 -4.77 121.76 122.46 1x1e s ALA 45 Ca 0.00 -2.19 -0.21 0.00 0.00 0.00 0.00 51.96 49.56 1x1e s ALA 45 Cb 0.00 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 1x1e s ALA 45 CO 0.00 -0.09 0.60 0.08 0.00 0.00 0.00 175.76 176.35 1x1e s VAL 46 N -2.79 5.09 0.05 0.00 1.01 0.58 -4.46 120.40 119.88 1x1e s VAL 46 Ca 0.34 1.21 -0.22 0.00 0.00 0.00 0.00 61.98 63.31 1x1e s VAL 46 Cb 0.08 -3.94 -0.06 0.00 0.00 0.00 0.00 36.38 32.46 1x1e s VAL 46 CO 0.17 0.24 0.64 -2.16 0.00 0.00 0.00 175.10 173.99 1x1e s PRO 47 N 1.04 4.35 -0.50 2.72 0.04 -1.26 0.06 135.00 141.44 1x1e s PRO 47 Ca 0.31 0.85 0.04 0.00 0.04 0.00 0.00 61.00 62.24 1x1e s PRO 47 Cb -0.16 -3.30 0.17 0.00 0.04 0.00 0.00 34.50 31.24 1x1e s PRO 47 CO 0.13 0.46 0.38 -0.51 0.04 0.00 0.00 177.00 177.50 1x1e s LEU 48 N -0.56 2.52 0.17 -3.56 1.43 -0.04 -4.91 118.68 113.73 1x1e s LEU 48 Ca 0.32 -3.28 -0.33 0.00 -1.03 0.00 0.00 54.13 49.81 1x1e s LEU 48 Cb -0.20 -0.84 -0.13 0.00 0.03 0.00 0.00 46.19 45.05 1x1e s LEU 48 CO 0.20 -0.15 1.61 -2.65 0.23 0.00 0.00 176.35 175.59 1x1e n PRO 49 N 2.63 2.28 -3.48 1.29 -0.02 -1.26 -3.47 135.00 132.97 1x1e n PRO 49 Ca 0.25 0.82 -0.13 0.00 -2.02 0.00 0.00 63.50 62.43 1x1e n PRO 49 Cb 0.43 -2.61 -0.04 0.00 -0.02 0.00 0.00 33.50 31.27 1x1e n PRO 49 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1x1e s THR 50 N 0.96 0.00 -0.55 3.45 2.01 0.27 -4.90 115.64 116.88 1x1e s THR 50 Ca 0.78 0.00 0.01 0.00 0.31 0.00 0.00 61.69 62.79 1x1e s THR 50 Cb -0.64 -1.00 0.14 0.00 0.01 0.00 0.00 72.50 71.01 1x1e s THR 50 CO 0.37 0.00 0.32 -0.62 -0.69 0.00 0.00 174.62 173.99 1x1e s ASP 51 N -2.03 4.72 0.00 3.53 -1.08 -1.26 -2.05 116.67 118.50 1x1e s ASP 51 Ca -0.02 -2.89 0.06 0.00 -0.52 0.00 0.00 52.55 49.18 1x1e s ASP 51 Cb -0.01 -1.73 0.30 0.00 -1.46 0.00 0.00 42.92 40.03 1x1e s ASP 51 CO -0.03 -0.30 1.11 0.18 0.52 0.00 0.00 175.17 176.64 1x1e n LEU 52 N 3.35 0.00 -0.07 -1.34 4.77 -1.26 0.22 117.00 122.67 1x1e n LEU 52 Ca 0.06 0.36 0.13 0.00 -0.03 0.00 0.00 56.01 56.54 1x1e n LEU 52 Cb 0.35 -0.36 0.50 0.00 -2.33 0.00 0.00 43.42 41.58 1x1e n LEU 52 CO 0.33 -0.29 0.77 -0.62 -1.33 0.00 0.00 177.39 176.25 1x1e n GLU 53 N -1.36 0.36 0.00 3.23 1.02 -1.26 -4.49 120.64 118.13 1x1e n GLU 53 Ca 0.02 -0.14 0.00 0.00 -0.02 0.00 0.00 57.16 57.03 1x1e n GLU 53 Cb 0.06 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.98 1x1e n GLU 53 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1x1e n LYS 54 N -1.20 0.00 -2.66 3.49 5.02 -0.32 -5.00 118.16 117.49 1x1e n LYS 54 Ca 0.10 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.03 1x1e n LYS 54 Cb 0.31 -0.43 -0.05 0.00 -0.02 0.00 0.00 35.03 34.84 1x1e n LYS 54 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1x1e s ASP 55 N -1.28 6.95 -0.04 4.39 1.01 0.13 -4.96 116.67 122.87 1x1e s ASP 55 Ca 0.00 1.92 -0.30 0.00 0.71 0.00 0.00 52.55 54.88 1x1e s ASP 55 Cb 0.00 -2.58 -0.07 0.00 1.01 0.00 0.00 42.92 41.28 1x1e s ASP 55 CO 0.00 -0.35 1.93 -0.62 0.21 0.00 0.00 175.17 176.34 1x1e s ASP 56 N -1.69 6.32 0.28 0.27 2.15 -1.26 -4.76 116.67 117.98 1x1e s ASP 56 Ca 0.56 2.40 0.01 0.00 0.43 0.00 0.00 52.55 55.96 1x1e s ASP 56 Cb -0.19 -2.53 0.58 0.00 -0.30 0.00 0.00 42.92 40.48 1x1e s ASP 56 CO 0.24 -1.19 1.81 -0.65 -0.17 0.00 0.00 175.17 175.20 1x1e h PRO 57 N 11.14 0.84 -0.31 4.34 0.11 -1.93 -0.60 132.00 145.60 1x1e h PRO 57 Ca -0.45 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.62 1x1e h PRO 57 Cb 1.22 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1x1e h PRO 57 CO 0.95 0.56 0.21 0.87 -0.21 0.00 0.00 178.00 180.37 1x1e h LYS 58 N 0.87 0.34 -0.29 1.05 1.57 -1.90 -1.50 116.57 116.70 1x1e h LYS 58 Ca 0.50 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 59.13 1x1e h LYS 58 Cb 0.60 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1x1e h LYS 58 CO -0.31 0.22 -0.35 0.78 -0.57 0.00 0.00 179.45 179.23 1x1e h GLY 59 N 0.35 0.71 1.09 3.86 0.00 -1.49 -2.21 103.07 105.38 1x1e h GLY 59 Ca 0.12 -0.67 -0.14 0.00 0.00 0.00 0.00 47.33 46.64 1x1e h GLY 59 CO -0.03 0.61 -0.26 -2.00 0.00 0.00 0.00 176.54 174.86 1x1e h LEU 60 N 0.55 0.98 -0.81 3.11 5.85 -1.17 -2.00 115.31 121.81 1x1e h LEU 60 Ca 0.06 -0.42 -0.07 0.00 0.84 0.00 0.00 57.88 58.29 1x1e h LEU 60 Cb 0.86 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 1x1e h LEU 60 CO 0.07 1.18 0.12 0.58 -0.34 0.00 0.00 178.44 180.05 1x1e h VAL 61 N 0.77 1.25 -0.49 1.05 2.07 -1.33 -0.70 116.25 118.87 1x1e h VAL 61 Ca 0.09 -0.97 -0.11 0.00 0.82 0.00 0.00 66.70 66.53 1x1e h VAL 61 Cb 0.84 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1x1e h VAL 61 CO 0.07 0.36 -0.14 0.50 0.02 0.00 0.00 177.57 178.39 1x1e h LYS 62 N 0.95 0.92 -0.44 1.57 3.64 -1.29 -0.40 116.57 121.52 1x1e h LYS 62 Ca 0.20 -0.34 -0.10 0.00 -1.27 0.00 0.00 60.65 59.14 1x1e h LYS 62 Cb 0.39 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 1x1e h LYS 62 CO 0.01 0.99 -0.12 0.00 -2.27 0.00 0.00 179.45 178.05 1x1e h ARG 63 N 0.82 0.80 -0.38 1.90 3.08 -1.05 -2.02 114.38 117.52 1x1e h ARG 63 Ca 0.13 -0.27 -0.05 0.00 0.07 0.00 0.00 59.98 59.85 1x1e h ARG 63 Cb 0.67 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 1x1e h ARG 63 CO 0.05 0.88 0.04 0.00 -1.07 0.00 0.00 179.97 179.87 1x1e h ALA 64 N 1.14 0.51 0.18 0.04 0.00 -0.78 -0.17 119.26 120.18 1x1e h ALA 64 Ca 0.12 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1x1e h ALA 64 Cb 0.62 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1x1e h ALA 64 CO 0.04 0.24 -0.30 1.25 0.00 0.00 0.00 179.25 180.48 1x1e h LEU 65 N 0.48 -0.85 -1.27 0.00 5.85 -0.84 0.77 115.31 119.44 1x1e h LEU 65 Ca 0.11 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 1x1e h LEU 65 Cb 0.41 0.31 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1x1e h LEU 65 CO 0.01 -0.41 -0.26 -0.33 -0.34 0.00 0.00 178.44 177.12 1x1e h GLU 66 N -0.56 0.00 0.01 1.25 5.08 -1.34 0.33 114.58 119.34 1x1e h GLU 66 Ca 0.02 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.16 1x1e h GLU 66 Cb 0.56 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.78 1x1e h GLU 66 CO -0.14 0.26 -1.05 0.00 -1.00 0.00 0.00 179.01 177.08 1x1e h ALA 67 N 1.74 0.35 0.00 3.43 0.00 -0.60 -3.35 119.26 120.84 1x1e h ALA 67 Ca -0.00 -0.94 -0.05 0.00 0.00 0.00 0.00 54.91 53.92 1x1e h ALA 67 Cb 0.68 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1x1e h ALA 67 CO 0.03 1.25 -1.99 1.28 0.00 0.00 0.00 179.25 179.82 1x1e n LEU 68 N -3.35 0.00 0.00 0.00 4.77 0.23 -4.99 117.00 113.66 1x1e n LEU 68 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1x1e n LEU 68 Cb 0.95 0.07 0.00 0.00 -2.33 0.00 0.00 43.42 42.11 1x1e n LEU 68 CO 0.47 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1x1e n GLY 69 N 1.40 0.71 0.00 -0.72 0.00 0.11 -4.97 105.19 101.72 1x1e n GLY 69 Ca -0.08 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1x1e n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x1e n GLY 70 N -1.71 0.47 3.12 -0.02 0.00 -0.71 -5.03 105.19 101.30 1x1e n GLY 70 Ca 0.00 -1.47 -0.05 0.00 0.00 0.00 0.00 46.02 44.50 1x1e n GLY 70 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1x1e s LEU 71 N 0.00 -0.87 -0.05 0.99 2.96 -1.26 -4.37 118.68 116.08 1x1e s LEU 71 Ca 0.00 0.68 0.03 0.00 -0.22 0.00 0.00 54.13 54.63 1x1e s LEU 71 Cb 0.00 1.53 -0.06 0.00 0.50 0.00 0.00 46.19 48.17 1x1e s LEU 71 CO 0.00 -0.27 -0.00 1.41 -1.32 0.00 0.00 176.35 176.17 1x1e n HIS 72 N 5.39 0.00 -4.74 5.38 8.25 0.13 -3.54 115.22 126.10 1x1e n HIS 72 Ca -0.05 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.17 1x1e n HIS 72 Cb 0.50 -0.25 -0.15 0.00 1.12 0.00 0.00 29.99 31.21 1x1e n HIS 72 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1x1e s VAL 73 N -2.12 1.25 -0.08 1.59 1.01 -0.01 -0.59 120.40 121.45 1x1e s VAL 73 Ca -0.04 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1x1e s VAL 73 Cb 0.02 -1.05 0.02 0.00 0.00 0.00 0.00 36.38 35.37 1x1e s VAL 73 CO 0.19 0.36 -0.07 -0.22 0.00 0.00 0.00 175.10 175.35 1x1e s LEU 74 N -0.26 1.26 -0.19 3.92 2.96 -0.13 -0.73 118.68 125.52 1x1e s LEU 74 Ca 0.04 -0.24 0.00 0.00 -0.22 0.00 0.00 54.13 53.71 1x1e s LEU 74 Cb -0.07 -0.71 0.05 0.00 0.50 0.00 0.00 46.19 45.95 1x1e s LEU 74 CO -0.00 -0.07 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.20 1x1e s VAL 75 N 1.31 1.37 -0.93 1.68 1.01 -0.09 -0.22 120.40 124.52 1x1e s VAL 75 Ca -0.03 -0.88 -0.14 0.00 0.00 0.00 0.00 61.98 60.92 1x1e s VAL 75 Cb -0.14 -1.53 0.21 0.00 0.00 0.00 0.00 36.38 34.92 1x1e s VAL 75 CO -0.03 0.09 0.96 -2.28 0.00 0.00 0.00 175.10 173.83 1x1e s HIS 76 N 1.51 3.71 -1.06 5.22 2.46 -1.02 -0.69 115.29 125.42 1x1e s HIS 76 Ca -0.01 -2.02 0.17 0.00 0.47 0.00 0.00 55.06 53.67 1x1e s HIS 76 Cb -0.16 -3.95 0.60 0.00 -0.13 0.00 0.00 32.58 28.93 1x1e s HIS 76 CO -0.08 -1.11 1.51 0.00 -2.47 0.00 0.00 174.74 172.59 1x1e n ALA 77 N 4.38 2.78 -1.74 1.58 0.00 -0.69 -3.92 120.51 122.91 1x1e n ALA 77 Ca 0.20 -1.56 -0.38 0.00 0.00 0.00 0.00 53.44 51.69 1x1e n ALA 77 Cb 0.46 -0.83 0.05 0.00 0.00 0.00 0.00 19.45 19.13 1x1e n ALA 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x1e n ALA 78 N 0.84 1.45 -2.56 0.00 0.00 -1.13 -4.50 120.51 114.61 1x1e n ALA 78 Ca 0.22 0.09 -0.17 0.00 0.00 0.00 0.00 53.44 53.58 1x1e n ALA 78 Cb 0.76 -2.35 -0.11 0.00 0.00 0.00 0.00 19.45 17.75 1x1e n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1x1e s ALA 79 N -1.32 1.32 -0.28 0.00 0.00 -1.26 -4.93 121.76 115.28 1x1e s ALA 79 Ca 0.75 -1.18 -0.28 0.00 0.00 0.00 0.00 51.96 51.25 1x1e s ALA 79 Cb -0.41 -0.06 0.19 0.00 0.00 0.00 0.00 23.12 22.84 1x1e s ALA 79 CO 0.47 0.10 1.36 0.54 0.00 0.00 0.00 175.76 178.22 1x1e s VAL 80 N -1.91 0.00 -0.03 0.00 0.11 -1.26 -5.12 120.40 112.18 1x1e s VAL 80 Ca 0.05 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.80 1x1e s VAL 80 Cb -0.06 -1.00 0.09 0.00 -1.53 0.00 0.00 36.38 33.87 1x1e s VAL 80 CO 0.02 0.00 0.76 0.21 -3.33 0.00 0.00 175.10 172.76 1x1e s ASN 81 N -0.78 -0.55 -0.42 3.54 3.84 -1.26 -4.95 114.94 114.36 1x1e s ASN 81 Ca 0.08 0.46 0.02 0.00 0.21 0.00 0.00 52.86 53.63 1x1e s ASN 81 Cb -0.02 0.48 0.12 0.00 -0.55 0.00 0.00 41.25 41.29 1x1e s ASN 81 CO -0.09 -0.61 0.19 -0.69 -2.79 0.00 0.00 177.10 173.11 1x1e s VAL 82 N -1.80 1.61 -1.20 -5.21 1.01 -1.26 -5.04 120.40 108.50 1x1e s VAL 82 Ca -0.05 -2.45 -0.19 0.00 0.00 0.00 0.00 61.98 59.29 1x1e s VAL 82 Cb -0.00 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 1x1e s VAL 82 CO 0.02 -0.80 1.95 0.54 0.00 0.00 0.00 175.10 176.81 1x1e n ARG 83 N 3.80 2.39 -4.25 2.72 1.74 -1.26 -4.85 116.66 116.95 1x1e n ARG 83 Ca 0.05 -2.62 -0.17 0.00 -0.77 0.00 0.00 57.85 54.34 1x1e n ARG 83 Cb 0.36 -3.38 -0.14 0.00 -1.02 0.00 0.00 32.46 28.28 1x1e n ARG 83 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1x1e s LYS 84 N 4.65 0.62 0.79 5.56 1.02 -1.02 -4.86 119.74 126.50 1x1e s LYS 84 Ca 0.56 -0.41 -0.12 0.00 0.02 0.00 0.00 55.97 56.02 1x1e s LYS 84 Cb 0.08 -0.57 0.07 0.00 -0.52 0.00 0.00 37.83 36.89 1x1e s LYS 84 CO 0.06 0.15 1.14 -1.25 -0.92 0.00 0.00 175.35 174.52 1x1e s PRO 85 N -0.53 1.92 0.28 -1.68 0.04 -1.26 -4.43 135.00 129.34 1x1e s PRO 85 Ca 0.00 1.45 0.02 0.00 0.04 0.00 0.00 61.00 62.52 1x1e s PRO 85 Cb -0.05 -1.84 0.67 0.00 0.04 0.00 0.00 34.50 33.33 1x1e s PRO 85 CO 0.00 -1.94 1.71 0.00 0.04 0.00 0.00 177.00 176.82 1x1e h ALA 86 N -1.01 1.39 0.00 8.56 0.00 -1.93 -0.52 119.26 125.75 1x1e h ALA 86 Ca -0.45 0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1x1e h ALA 86 Cb 1.26 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1x1e h ALA 86 CO 0.48 -0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.74 1x1e n LEU 87 N -4.99 0.07 -0.15 0.00 4.77 -1.26 -2.88 117.00 112.56 1x1e n LEU 87 Ca 0.21 0.51 0.05 0.00 -0.03 0.00 0.00 56.01 56.75 1x1e n LEU 87 Cb 0.59 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 1x1e n LEU 87 CO 0.15 -0.14 0.13 -0.62 -1.33 0.00 0.00 177.39 175.59 1x1e n GLU 88 N -1.57 2.70 -3.15 3.23 1.02 -0.34 -5.00 120.64 117.53 1x1e n GLU 88 Ca 0.05 -0.39 -0.39 0.00 -0.02 0.00 0.00 57.16 56.41 1x1e n GLU 88 Cb 0.27 -1.04 -0.05 0.00 -0.02 0.00 0.00 31.44 30.60 1x1e n GLU 88 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1x1e s LEU 89 N -1.92 4.42 0.54 -4.62 2.96 -0.41 -4.90 118.68 114.75 1x1e s LEU 89 Ca 0.07 1.23 -0.04 0.00 -0.22 0.00 0.00 54.13 55.16 1x1e s LEU 89 Cb 0.08 -3.00 -0.00 0.00 0.50 0.00 0.00 46.19 43.77 1x1e s LEU 89 CO 0.31 0.08 0.83 -0.94 -1.32 0.00 0.00 176.35 175.30 1x1e s SER 90 N -0.14 5.79 0.26 3.68 1.04 -1.26 -4.94 113.70 118.12 1x1e s SER 90 Ca 0.33 0.67 0.01 0.00 0.48 0.00 0.00 55.95 57.44 1x1e s SER 90 Cb -0.19 -1.79 0.34 0.00 0.10 0.00 0.00 66.02 64.48 1x1e s SER 90 CO 0.19 -0.88 1.67 0.22 0.98 0.00 0.00 173.24 175.41 1x1e h TYR 91 N 0.03 0.56 -0.65 5.02 3.20 -1.98 -0.88 116.97 122.27 1x1e h TYR 91 Ca -0.46 -0.14 -0.04 0.00 3.14 0.00 0.00 58.73 61.23 1x1e h TYR 91 Cb 1.24 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 39.36 1x1e h TYR 91 CO 0.49 0.76 0.25 1.49 -1.64 0.00 0.00 178.16 179.51 1x1e h GLU 92 N 0.41 0.97 -0.55 1.82 4.81 -1.99 0.71 114.58 120.77 1x1e h GLU 92 Ca 0.05 -0.18 -0.09 0.00 -0.13 0.00 0.00 59.36 59.01 1x1e h GLU 92 Cb 0.78 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 1x1e h GLU 92 CO 0.06 0.82 -0.02 0.93 -0.73 0.00 0.00 179.01 180.07 1x1e h GLU 93 N 0.91 0.96 -0.12 1.92 5.08 -1.89 -0.74 114.58 120.70 1x1e h GLU 93 Ca 0.21 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 1x1e h GLU 93 Cb 0.21 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1x1e h GLU 93 CO -0.02 0.96 0.07 2.35 -1.00 0.00 0.00 179.01 181.37 1x1e h TRP 94 N 0.88 0.13 0.00 4.33 2.91 -0.73 -2.74 115.95 120.73 1x1e h TRP 94 Ca 0.16 0.00 -0.07 0.00 1.13 0.00 0.00 58.89 60.11 1x1e h TRP 94 Cb 0.54 -0.04 -0.01 0.00 -0.51 0.00 0.00 29.16 29.14 1x1e h TRP 94 CO 0.03 0.08 -0.33 0.00 -1.03 0.00 0.00 178.44 177.20 1x1e h ARG 95 N 0.15 0.00 -0.42 2.65 2.47 -0.75 -1.81 114.38 116.68 1x1e h ARG 95 Ca 0.05 0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.74 1x1e h ARG 95 Cb -0.00 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.30 1x1e h ARG 95 CO -0.02 0.33 0.18 -0.09 0.56 0.00 0.00 179.97 180.92 1x1e h ARG 96 N 0.00 0.62 -0.05 0.04 2.43 -0.87 0.29 114.38 116.83 1x1e h ARG 96 Ca -0.00 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 1x1e h ARG 96 Cb 0.66 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 30.10 1x1e h ARG 96 CO 0.04 0.57 -0.02 0.28 -1.51 0.00 0.00 179.97 179.33 1x1e h VAL 97 N 0.53 1.33 -0.34 0.20 2.07 -1.27 -2.86 116.25 115.90 1x1e h VAL 97 Ca 0.14 -1.02 -0.06 0.00 0.82 0.00 0.00 66.70 66.59 1x1e h VAL 97 Cb 0.17 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.83 1x1e h VAL 97 CO -0.01 0.28 -0.03 -0.07 0.02 0.00 0.00 177.57 177.76 1x1e h LEU 98 N -0.28 0.50 0.43 2.57 -0.00 -1.31 -2.30 115.31 114.92 1x1e h LEU 98 Ca 0.01 -0.10 -0.02 0.00 -0.00 0.00 0.00 57.88 57.77 1x1e h LEU 98 Cb 0.46 -0.13 0.00 0.00 -0.00 0.00 0.00 40.66 40.99 1x1e h LEU 98 CO 0.01 0.59 -0.21 0.22 -0.00 0.00 0.00 178.44 179.05 1x1e h TYR 99 N 0.51 -0.54 -0.35 1.13 3.20 -0.40 -0.01 116.97 120.52 1x1e h TYR 99 Ca 0.11 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 1x1e h TYR 99 Cb 0.37 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 1x1e h TYR 99 CO 0.01 -0.24 0.11 1.25 -1.64 0.00 0.00 178.16 177.65 1x1e h LEU 100 N -0.76 0.50 -0.02 2.82 5.85 -1.51 0.13 115.31 122.30 1x1e h LEU 100 Ca -0.06 -0.20 -0.23 0.00 0.84 0.00 0.00 57.88 58.23 1x1e h LEU 100 Cb 0.53 -0.13 0.02 0.00 0.37 0.00 0.00 40.66 41.45 1x1e h LEU 100 CO 0.10 0.56 -0.88 0.45 -0.34 0.00 0.00 178.44 178.33 1x1e h HIS 101 N 0.41 0.94 0.00 1.25 3.86 -1.48 -3.36 115.15 116.77 1x1e h HIS 101 Ca 0.11 -0.49 -0.17 0.00 -1.16 0.00 0.00 60.37 58.66 1x1e h HIS 101 Cb 0.24 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.57 1x1e h HIS 101 CO 0.01 1.32 -1.41 -0.11 0.86 0.00 0.00 177.93 178.60 1x1e n LEU 102 N -3.97 1.50 -0.16 2.43 7.94 -0.07 -4.10 117.00 120.57 1x1e n LEU 102 Ca -0.10 0.25 -0.05 0.00 -1.11 0.00 0.00 56.01 55.00 1x1e n LEU 102 Cb 0.80 -0.58 0.04 0.00 0.53 0.00 0.00 43.42 44.22 1x1e n LEU 102 CO 0.53 0.01 1.03 0.44 -1.11 0.00 0.00 177.39 178.28 1x1e h ASP 103 N -0.68 0.39 0.12 1.96 3.32 -0.92 -1.02 116.42 119.60 1x1e h ASP 103 Ca -0.25 0.02 -0.09 0.00 0.02 0.00 0.00 57.03 56.73 1x1e h ASP 103 Cb 1.07 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 1x1e h ASP 103 CO -0.15 0.27 -0.31 0.58 -1.72 0.00 0.00 179.24 177.90 1x1e h VAL 104 N 0.51 1.27 -0.34 -1.35 2.07 -0.91 -1.24 116.25 116.26 1x1e h VAL 104 Ca 0.21 -1.30 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 1x1e h VAL 104 Cb 0.10 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 1x1e h VAL 104 CO -0.14 0.40 0.19 0.00 0.02 0.00 0.00 177.57 178.04 1x1e h ALA 105 N 1.42 0.44 0.22 1.67 0.00 -1.50 -0.35 119.26 121.17 1x1e h ALA 105 Ca 0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1x1e h ALA 105 Cb 0.68 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1x1e h ALA 105 CO 0.05 -0.04 -0.11 0.35 0.00 0.00 0.00 179.25 179.50 1x1e h PHE 106 N 0.43 -0.28 -0.81 0.00 3.57 -0.85 -1.87 116.94 117.14 1x1e h PHE 106 Ca 0.12 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.66 1x1e h PHE 106 Cb 0.05 0.09 -0.05 0.00 2.79 0.00 0.00 35.95 38.83 1x1e h PHE 106 CO -0.03 -0.10 0.51 -0.07 -2.23 0.00 0.00 178.31 176.39 1x1e h LEU 107 N -0.39 0.83 -0.14 0.59 3.38 -1.12 0.67 115.31 119.13 1x1e h LEU 107 Ca -0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1x1e h LEU 107 Cb 0.30 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 1x1e h LEU 107 CO 0.05 0.56 -0.02 -0.07 0.09 0.00 0.00 178.44 179.05 1x1e h LEU 108 N 0.98 0.25 -0.40 1.67 3.38 -1.03 -2.22 115.31 117.94 1x1e h LEU 108 Ca 0.33 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1x1e h LEU 108 Cb 0.06 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 1x1e h LEU 108 CO -0.13 0.54 0.21 0.00 0.09 0.00 0.00 178.44 179.14 1x1e h ALA 109 N 0.72 0.51 -0.98 1.53 0.00 -1.11 -0.65 119.26 119.28 1x1e h ALA 109 Ca 0.04 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.91 1x1e h ALA 109 Cb 0.42 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.99 1x1e h ALA 109 CO 0.01 0.06 0.64 0.37 0.00 0.00 0.00 179.25 180.33 1x1e h GLN 110 N 0.51 1.14 0.00 0.00 4.15 -0.85 -0.39 115.11 119.67 1x1e h GLN 110 Ca 0.14 -0.07 -0.18 0.00 0.77 0.00 0.00 58.65 59.31 1x1e h GLN 110 Cb 0.08 -0.26 -0.02 0.00 0.21 0.00 0.00 27.48 27.50 1x1e h GLN 110 CO -0.02 0.76 -0.83 0.00 -1.93 0.00 0.00 178.83 176.80 1x1e h ALA 111 N 1.46 0.62 0.23 3.38 0.00 -1.10 -3.34 119.26 120.49 1x1e h ALA 111 Ca 0.41 -0.74 -0.33 0.00 0.00 0.00 0.00 54.91 54.26 1x1e h ALA 111 Cb 0.12 -0.12 0.03 0.00 0.00 0.00 0.00 17.79 17.82 1x1e h ALA 111 CO -0.15 0.99 -1.46 0.00 0.00 0.00 0.00 179.25 178.63 1x1e h ALA 112 N 1.13 -0.08 -0.76 0.00 0.00 -0.53 -3.39 119.26 115.63 1x1e h ALA 112 Ca -0.02 -0.89 0.16 0.00 0.00 0.00 0.00 54.91 54.16 1x1e h ALA 112 Cb 1.46 0.17 -0.14 0.00 0.00 0.00 0.00 17.79 19.28 1x1e h ALA 112 CO 0.11 0.78 -0.10 0.00 0.00 0.00 0.00 179.25 180.04 1x1e h ALA 113 N 0.24 0.63 -0.27 0.00 0.00 -1.21 -0.65 119.26 118.00 1x1e h ALA 113 Ca -0.24 0.27 0.07 0.00 0.00 0.00 0.00 54.91 55.01 1x1e h ALA 113 Cb 2.13 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 20.42 1x1e h ALA 113 CO 0.25 -0.42 0.19 -1.35 0.00 0.00 0.00 179.25 177.92 1x1e h PRO 114 N 0.04 0.05 0.08 0.00 0.11 -1.77 0.40 132.00 130.91 1x1e h PRO 114 Ca 0.39 -0.00 -0.25 0.00 0.11 0.00 0.00 66.00 66.25 1x1e h PRO 114 Cb 0.64 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 31.74 1x1e h PRO 114 CO -0.73 0.03 -1.13 0.45 -0.21 0.00 0.00 178.00 176.41 1x1e h HIS 115 N 0.05 0.38 -0.30 0.65 3.86 -1.37 -1.12 115.15 117.30 1x1e h HIS 115 Ca 0.13 -0.26 -0.18 0.00 -1.16 0.00 0.00 60.37 58.89 1x1e h HIS 115 Cb 0.43 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.88 1x1e h HIS 115 CO -0.00 1.18 -0.53 0.52 0.86 0.00 0.00 177.93 179.96 1x1e h MET 116 N 0.07 0.88 -0.67 2.45 2.86 -0.79 -2.21 114.93 117.52 1x1e h MET 116 Ca -0.09 -0.55 -0.04 0.00 -2.06 0.00 0.00 59.70 56.96 1x1e h MET 116 Cb 1.85 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 33.54 1x1e h MET 116 CO 0.18 1.19 0.27 0.00 1.06 0.00 0.00 176.91 179.61 1x1e h ALA 117 N 0.69 1.21 -0.48 6.32 0.00 -0.21 0.21 119.26 127.00 1x1e h ALA 117 Ca 0.02 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 1x1e h ALA 117 Cb 1.14 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1x1e h ALA 117 CO 0.12 0.58 0.14 1.49 0.00 0.00 0.00 179.25 181.57 1x1e h GLU 118 N 0.97 0.71 0.00 0.00 4.57 -0.99 -1.59 114.58 118.26 1x1e h GLU 118 Ca 0.23 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 1x1e h GLU 118 Cb 0.18 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.65 1x1e h GLU 118 CO -0.02 0.63 -0.21 0.00 -1.18 0.00 0.00 179.01 178.23 1x1e h ALA 119 N 1.45 0.89 -0.01 2.92 0.00 -0.70 -3.47 119.26 120.34 1x1e h ALA 119 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1x1e h ALA 119 Cb 0.23 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1x1e h ALA 119 CO -0.01 0.00 -0.01 0.41 0.00 0.00 0.00 179.25 179.65 1x1e n GLY 120 N 1.15 0.47 3.64 0.00 0.00 0.67 -5.00 105.19 106.12 1x1e n GLY 120 Ca 0.03 -0.37 -0.07 0.00 0.00 0.00 0.00 46.02 45.61 1x1e n GLY 120 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1x1e s TRP 121 N -1.99 -1.04 0.11 1.61 -0.00 -0.88 -4.50 118.94 112.24 1x1e s TRP 121 Ca 0.00 2.11 -0.21 0.00 -0.00 0.00 0.00 56.10 58.00 1x1e s TRP 121 Cb 0.00 0.61 0.05 0.00 -0.00 0.00 0.00 33.47 34.13 1x1e s TRP 121 CO 0.00 -0.51 0.51 0.20 -0.00 0.00 0.00 176.95 177.14 1x1e s GLY 122 N 1.53 -0.44 -0.05 5.86 0.00 -0.51 -4.70 107.32 109.02 1x1e s GLY 122 Ca -0.09 0.37 -0.01 0.00 0.00 0.00 0.00 44.72 44.98 1x1e s GLY 122 CO -0.18 0.07 0.03 0.50 0.00 0.00 0.00 173.10 173.52 1x1e s ARG 123 N -3.26 0.17 -0.16 2.90 1.81 0.25 -1.66 118.95 118.99 1x1e s ARG 123 Ca -0.01 0.25 -0.01 0.00 -1.72 0.00 0.00 55.73 54.24 1x1e s ARG 123 Cb 0.00 -0.62 -0.01 0.00 -0.45 0.00 0.00 34.95 33.87 1x1e s ARG 123 CO -0.08 -0.29 -0.11 0.08 -0.68 0.00 0.00 175.30 174.22 1x1e s VAL 124 N 1.89 3.01 -0.23 3.52 1.01 -0.11 -0.96 120.40 128.54 1x1e s VAL 124 Ca 0.02 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.36 1x1e s VAL 124 Cb -0.12 -2.30 0.06 0.00 0.00 0.00 0.00 36.38 34.02 1x1e s VAL 124 CO -0.03 0.50 -0.07 -0.22 0.00 0.00 0.00 175.10 175.27 1x1e s LEU 125 N 0.82 2.69 0.29 3.92 2.96 0.69 -1.86 118.68 128.20 1x1e s LEU 125 Ca -0.04 -1.18 -0.04 0.00 -0.22 0.00 0.00 54.13 52.66 1x1e s LEU 125 Cb -0.15 -1.26 -0.05 0.00 0.50 0.00 0.00 46.19 45.24 1x1e s LEU 125 CO 0.01 -0.21 0.54 -0.36 -1.32 0.00 0.00 176.35 175.00 1x1e s PHE 126 N 1.34 3.48 -0.27 5.38 0.08 -0.45 -2.44 117.98 125.11 1x1e s PHE 126 Ca -0.06 0.57 -0.07 0.00 0.12 0.00 0.00 56.93 57.49 1x1e s PHE 126 Cb -0.19 -2.05 -0.01 0.00 -0.57 0.00 0.00 43.02 40.20 1x1e s PHE 126 CO -0.06 0.18 0.07 0.42 -0.10 0.00 0.00 175.22 175.73 1x1e s ILE 127 N -2.10 4.14 0.00 0.64 -1.09 -1.25 -0.92 121.20 120.61 1x1e s ILE 127 Ca 0.43 -0.40 0.00 0.00 -2.23 0.00 0.00 60.65 58.45 1x1e s ILE 127 Cb -0.11 -3.01 0.00 0.00 -1.58 0.00 0.00 42.46 37.76 1x1e s ILE 127 CO 0.31 0.24 0.00 0.61 -1.23 0.00 0.00 174.94 174.87 1x1e n GLY 128 N 4.90 1.74 3.81 6.18 0.00 0.24 -4.93 105.19 117.13 1x1e n GLY 128 Ca -0.16 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.14 1x1e n GLY 128 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x1e s SER 129 N -1.00 -0.04 0.54 1.61 0.15 -1.26 -4.34 113.70 109.36 1x1e s SER 129 Ca 0.00 -0.29 0.32 0.00 0.70 0.00 0.00 55.95 56.68 1x1e s SER 129 Cb 0.00 0.26 1.30 0.00 -1.71 0.00 0.00 66.02 65.87 1x1e s SER 129 CO 0.00 -0.50 1.96 -0.37 1.20 0.00 0.00 173.24 175.53 1x1e h VAL 130 N 2.00 0.09 0.00 4.45 -1.51 -1.85 -1.74 116.25 117.68 1x1e h VAL 130 Ca -0.27 -0.60 0.00 0.00 -1.23 0.00 0.00 66.70 64.60 1x1e h VAL 130 Cb 1.20 1.55 0.00 0.00 -2.13 0.00 0.00 31.29 31.91 1x1e h VAL 130 CO 0.31 0.03 0.00 0.35 -1.23 0.00 0.00 177.57 177.03 1x1e n THR 131 N -3.14 0.00 0.20 7.19 -2.24 -1.26 -1.41 114.28 113.61 1x1e n THR 131 Ca 0.01 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.89 1x1e n THR 131 Cb 0.32 -0.26 0.13 0.00 -2.10 0.00 0.00 70.33 68.43 1x1e n THR 131 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 1x1e h THR 132 N 0.00 0.15 0.00 4.28 2.02 -1.56 -3.35 112.91 114.44 1x1e h THR 132 Ca 0.00 -1.21 0.00 0.00 0.77 0.00 0.00 66.41 65.97 1x1e h THR 132 Cb 0.00 2.05 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 1x1e h THR 132 CO 0.00 0.08 -0.33 0.49 0.37 0.00 0.00 175.52 176.14 1x1e n PHE 133 N -3.10 0.00 -4.12 3.16 3.72 -0.54 -4.61 117.46 111.97 1x1e n PHE 133 Ca 0.03 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.36 1x1e n PHE 133 Cb 0.57 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.08 1x1e n PHE 133 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1x1e n THR 134 N -1.14 0.00 -0.66 4.37 -2.24 -0.50 -5.07 114.28 109.04 1x1e n THR 134 Ca 0.00 -0.85 0.08 0.00 -2.27 0.00 0.00 64.05 61.01 1x1e n THR 134 Cb 0.00 0.39 0.27 0.00 -2.10 0.00 0.00 70.33 68.90 1x1e n THR 134 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x1e n ALA 135 N -2.23 2.87 -0.48 6.98 0.00 -1.26 -4.36 120.51 122.02 1x1e n ALA 135 Ca -0.05 -1.76 0.00 0.00 0.00 0.00 0.00 53.44 51.63 1x1e n ALA 135 Cb 0.21 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 18.91 1x1e n ALA 135 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x1e n GLY 136 N 0.33 1.07 7.00 0.00 0.00 -1.26 -4.64 105.19 107.69 1x1e n GLY 136 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1x1e n GLY 136 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x1e n GLY 137 N -2.00 4.09 0.00 -0.02 0.00 -1.26 -2.49 105.19 103.50 1x1e n GLY 137 Ca 0.00 0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.13 1x1e n GLY 137 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x1e n PRO 138 N 13.96 0.02 -3.53 1.61 -0.04 -1.26 -4.71 135.00 141.04 1x1e n PRO 138 Ca 0.00 0.30 -0.37 0.00 -0.04 0.00 0.00 63.50 63.39 1x1e n PRO 138 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 1x1e n PRO 138 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1x1e s VAL 139 N -2.96 5.27 -0.87 0.52 1.01 -1.04 -5.03 120.40 117.30 1x1e s VAL 139 Ca 0.06 0.61 -0.20 0.00 0.00 0.00 0.00 61.98 62.45 1x1e s VAL 139 Cb 0.07 -3.65 0.11 0.00 0.00 0.00 0.00 36.38 32.91 1x1e s VAL 139 CO 0.20 0.42 1.11 -2.16 0.00 0.00 0.00 175.10 174.67 1x1e s PRO 140 N 0.23 3.48 -0.42 2.72 0.04 -1.26 -4.72 135.00 135.07 1x1e s PRO 140 Ca 0.18 -1.48 0.10 0.00 0.04 0.00 0.00 61.00 59.84 1x1e s PRO 140 Cb -0.14 -4.79 0.32 0.00 0.04 0.00 0.00 34.50 29.94 1x1e s PRO 140 CO 0.06 -1.82 0.71 0.44 0.04 0.00 0.00 177.00 176.43 1x1e n ILE 141 N 5.72 0.26 -0.21 0.56 -5.35 -1.26 -2.43 119.36 116.65 1x1e n ILE 141 Ca 0.18 -4.62 -0.04 0.00 -0.27 0.00 0.00 62.75 58.00 1x1e n ILE 141 Cb 0.48 -0.89 0.15 0.00 -1.74 0.00 0.00 39.64 37.64 1x1e n ILE 141 CO 0.00 0.00 0.00 1.55 -1.76 0.00 0.00 176.55 176.34 1x1e h PRO 142 N 3.29 1.00 -0.19 6.28 0.13 -1.89 -0.60 132.00 140.02 1x1e h PRO 142 Ca 0.10 -0.18 -0.05 0.00 -0.87 0.00 0.00 66.00 65.01 1x1e h PRO 142 Cb 0.87 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 1x1e h PRO 142 CO 0.55 0.83 -0.07 0.00 -0.23 0.00 0.00 178.00 179.08 1x1e h ALA 143 N 1.29 0.26 -0.42 -0.56 0.00 -1.88 -1.59 119.26 116.36 1x1e h ALA 143 Ca 0.22 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1x1e h ALA 143 Cb 0.22 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1x1e h ALA 143 CO -0.02 0.06 0.14 -0.92 0.00 0.00 0.00 179.25 178.51 1x1e h TYR 144 N 0.08 0.67 -0.40 0.00 3.20 -1.89 -0.91 116.97 117.72 1x1e h TYR 144 Ca 0.04 -0.07 0.03 0.00 3.14 0.00 0.00 58.73 61.88 1x1e h TYR 144 Cb 0.53 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.57 1x1e h TYR 144 CO 0.06 0.61 0.21 1.15 -1.64 0.00 0.00 178.16 178.55 1x1e h THR 145 N 0.54 0.99 -0.50 1.81 2.02 -1.08 0.23 112.91 116.91 1x1e h THR 145 Ca 0.14 -0.15 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1x1e h THR 145 Cb 0.25 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.17 1x1e h THR 145 CO -0.01 0.08 0.22 0.74 0.37 0.00 0.00 175.52 176.92 1x1e h THR 146 N 0.42 1.20 -0.16 3.16 2.02 -1.06 -1.82 112.91 116.67 1x1e h THR 146 Ca 0.17 -0.61 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 1x1e h THR 146 Cb 0.06 0.67 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1x1e h THR 146 CO -0.11 0.24 0.06 0.00 0.37 0.00 0.00 175.52 176.08 1x1e h ALA 147 N 1.06 0.21 0.00 6.16 0.00 -0.74 0.02 119.26 125.97 1x1e h ALA 147 Ca 0.17 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 1x1e h ALA 147 Cb 0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1x1e h ALA 147 CO -0.02 -0.19 -0.19 0.87 0.00 0.00 0.00 179.25 179.73 1x1e h LYS 148 N 0.10 0.00 0.21 0.00 1.79 -0.91 -2.09 116.57 115.67 1x1e h LYS 148 Ca 0.05 0.00 -0.32 0.00 -2.18 0.00 0.00 60.65 58.20 1x1e h LYS 148 Cb 0.19 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.87 1x1e h LYS 148 CO -0.00 0.19 -1.45 1.15 -1.08 0.00 0.00 179.45 178.25 1x1e h THR 149 N 0.00 1.30 -0.29 -0.16 2.02 -1.09 -3.24 112.91 111.44 1x1e h THR 149 Ca -0.00 -2.78 0.01 0.00 0.77 0.00 0.00 66.41 64.40 1x1e h THR 149 Cb 0.53 2.98 -0.01 0.00 -1.74 0.00 0.00 68.15 69.90 1x1e h THR 149 CO 0.02 0.84 0.19 0.00 0.37 0.00 0.00 175.52 176.94 1x1e h ALA 150 N 0.28 1.82 0.00 6.16 0.00 -0.56 -1.58 119.26 125.37 1x1e h ALA 150 Ca -0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1x1e h ALA 150 Cb 2.11 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 19.79 1x1e h ALA 150 CO 0.24 0.17 -0.03 -0.07 0.00 0.00 0.00 179.25 179.55 1x1e h LEU 151 N 0.37 0.00 -0.51 0.00 3.38 -1.41 -1.48 115.31 115.67 1x1e h LEU 151 Ca 0.11 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.92 1x1e h LEU 151 Cb -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1x1e h LEU 151 CO -0.02 0.03 -0.51 0.25 0.09 0.00 0.00 178.44 178.28 1x1e h LEU 152 N 0.00 0.69 -0.28 1.67 5.85 -1.42 -0.20 115.31 121.62 1x1e h LEU 152 Ca -0.00 -0.35 -0.13 0.00 0.84 0.00 0.00 57.88 58.24 1x1e h LEU 152 Cb 0.12 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 1x1e h LEU 152 CO 0.00 1.08 -0.33 1.23 -0.34 0.00 0.00 178.44 180.08 1x1e h GLY 153 N 0.99 0.79 0.98 3.75 0.00 -1.37 -2.08 103.07 106.13 1x1e h GLY 153 Ca 0.02 -0.84 -0.02 0.00 0.00 0.00 0.00 47.33 46.49 1x1e h GLY 153 CO 0.10 0.75 0.27 -2.00 0.00 0.00 0.00 176.54 175.66 1x1e h LEU 154 N 0.46 0.70 -0.22 3.11 5.85 -1.34 -0.86 115.31 123.02 1x1e h LEU 154 Ca 0.04 -0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.68 1x1e h LEU 154 Cb 0.91 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.72 1x1e h LEU 154 CO 0.08 0.62 -0.07 0.74 -0.34 0.00 0.00 178.44 179.47 1x1e h THR 155 N 0.73 0.74 -0.35 1.05 2.02 -0.94 0.35 112.91 116.51 1x1e h THR 155 Ca 0.19 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.35 1x1e h THR 155 Cb 0.10 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 1x1e h THR 155 CO -0.03 0.00 0.14 0.03 0.37 0.00 0.00 175.52 176.03 1x1e h ARG 156 N -0.03 0.53 -0.20 6.66 3.08 -1.15 -1.28 114.38 122.00 1x1e h ARG 156 Ca 0.11 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 1x1e h ARG 156 Cb 0.19 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 1x1e h ARG 156 CO -0.24 0.53 0.11 0.00 -1.07 0.00 0.00 179.97 179.29 1x1e h ALA 157 N 0.98 0.26 -0.27 0.04 0.00 -0.77 -1.62 119.26 117.87 1x1e h ALA 157 Ca 0.12 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 54.81 1x1e h ALA 157 Cb 0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1x1e h ALA 157 CO -0.01 -0.21 -0.46 -0.07 0.00 0.00 0.00 179.25 178.50 1x1e h LEU 158 N 0.22 0.76 -0.49 0.00 3.38 -0.94 -2.45 115.31 115.79 1x1e h LEU 158 Ca 0.07 -0.37 0.03 0.00 0.09 0.00 0.00 57.88 57.70 1x1e h LEU 158 Cb 0.07 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1x1e h LEU 158 CO -0.01 1.10 0.28 0.00 0.09 0.00 0.00 178.44 179.90 1x1e h ALA 159 N 0.92 0.63 -0.23 1.53 0.00 -1.11 0.24 119.26 121.25 1x1e h ALA 159 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1x1e h ALA 159 Cb 1.01 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1x1e h ALA 159 CO 0.10 -0.04 0.13 -0.22 0.00 0.00 0.00 179.25 179.22 1x1e h LYS 160 N 0.55 0.31 -0.24 0.00 3.64 -1.18 -2.06 116.57 117.59 1x1e h LYS 160 Ca 0.20 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.42 1x1e h LYS 160 Cb 0.06 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.80 1x1e h LYS 160 CO -0.11 0.26 -0.42 0.93 -2.27 0.00 0.00 179.45 177.83 1x1e h GLU 161 N 0.27 0.59 -0.07 1.90 5.08 -1.12 -3.33 114.58 117.90 1x1e h GLU 161 Ca 0.08 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1x1e h GLU 161 Cb 0.03 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1x1e h GLU 161 CO -0.01 0.90 0.00 0.91 -1.00 0.00 0.00 179.01 179.80 1x1e n TRP 162 N -4.02 0.06 -0.22 4.33 8.01 0.05 -4.59 117.44 121.06 1x1e n TRP 162 Ca -0.02 -0.03 0.02 0.00 -1.31 0.00 0.00 57.50 56.16 1x1e n TRP 162 Cb 0.53 -0.00 0.13 0.00 -2.01 0.00 0.00 31.31 29.96 1x1e n TRP 162 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1x1e h ALA 163 N 4.48 0.84 0.00 6.99 0.00 -1.48 -0.78 119.26 129.30 1x1e h ALA 163 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1x1e h ALA 163 Cb 0.96 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1x1e h ALA 163 CO 0.00 -0.23 0.00 0.54 0.00 0.00 0.00 179.25 179.56 1x1e n ARG 164 N -5.04 0.12 0.00 0.00 5.12 -1.26 -2.31 116.66 113.29 1x1e n ARG 164 Ca 0.10 0.35 0.13 0.00 -1.93 0.00 0.00 57.85 56.51 1x1e n ARG 164 Cb 0.33 -1.72 0.47 0.00 -1.16 0.00 0.00 32.46 30.37 1x1e n ARG 164 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1x1e n LEU 165 N -1.95 0.94 0.00 0.55 4.77 -0.31 -4.91 117.00 116.10 1x1e n LEU 165 Ca 0.03 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 1x1e n LEU 165 Cb 0.21 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1x1e n LEU 165 CO 0.17 0.17 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1x1e n GLY 166 N 1.29 0.85 3.77 -0.72 0.00 -0.98 -4.21 105.19 105.20 1x1e n GLY 166 Ca 0.14 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 45.80 1x1e n GLY 166 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x1e s ILE 167 N -2.00 5.40 -0.07 -0.61 1.01 -1.15 -1.42 121.20 122.35 1x1e s ILE 167 Ca 0.00 0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.85 1x1e s ILE 167 Cb 0.00 -3.42 -0.02 0.00 0.01 0.00 0.00 42.46 39.02 1x1e s ILE 167 CO 0.00 0.50 -0.13 -0.13 0.00 0.00 0.00 174.94 175.18 1x1e s ARG 168 N -0.10 2.77 -0.09 2.79 1.81 -0.66 -3.88 118.95 121.59 1x1e s ARG 168 Ca 0.10 -0.68 0.00 0.00 -1.72 0.00 0.00 55.73 53.43 1x1e s ARG 168 Cb -0.11 -2.47 0.02 0.00 -0.45 0.00 0.00 34.95 31.94 1x1e s ARG 168 CO 0.00 0.51 -0.09 0.08 -0.68 0.00 0.00 175.30 175.13 1x1e s VAL 169 N -0.43 1.00 0.16 3.52 1.01 -1.26 -0.93 120.40 123.47 1x1e s VAL 169 Ca 0.05 -0.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.70 1x1e s VAL 169 Cb -0.12 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 1x1e s VAL 169 CO 0.02 0.35 0.10 0.20 0.00 0.00 0.00 175.10 175.77 1x1e s ASN 170 N 1.33 0.23 -0.25 3.32 0.01 -0.78 0.50 114.94 119.31 1x1e s ASN 170 Ca -0.02 -1.27 0.03 0.00 -0.71 0.00 0.00 52.86 50.89 1x1e s ASN 170 Cb -0.14 0.34 0.05 0.00 0.41 0.00 0.00 41.25 41.91 1x1e s ASN 170 CO -0.04 -0.78 -0.12 -0.22 -1.51 0.00 0.00 177.10 174.43 1x1e s LEU 171 N -3.09 3.26 -0.26 0.60 2.96 0.06 -1.33 118.68 120.88 1x1e s LEU 171 Ca 0.30 -1.28 -0.24 0.00 -0.22 0.00 0.00 54.13 52.68 1x1e s LEU 171 Cb 0.07 -1.54 -0.01 0.00 0.50 0.00 0.00 46.19 45.21 1x1e s LEU 171 CO 0.06 -0.16 0.80 -0.22 -1.32 0.00 0.00 176.35 175.51 1x1e s LEU 172 N 1.13 4.08 -0.63 -0.68 2.96 -0.10 -0.38 118.68 125.06 1x1e s LEU 172 Ca -0.07 0.93 -0.07 0.00 -0.22 0.00 0.00 54.13 54.71 1x1e s LEU 172 Cb -0.19 -3.13 0.16 0.00 0.50 0.00 0.00 46.19 43.53 1x1e s LEU 172 CO -0.06 -0.52 0.48 0.00 -1.32 0.00 0.00 176.35 174.93 1x1e s PRO 174 N 0.37 3.54 0.00 0.00 0.02 -1.26 -1.28 135.00 136.39 1x1e s PRO 174 Ca 0.14 1.54 0.00 0.00 0.02 0.00 0.00 61.00 62.70 1x1e s PRO 174 Cb -0.19 -2.07 0.00 0.00 0.02 0.00 0.00 34.50 32.26 1x1e s PRO 174 CO -0.04 -0.68 0.00 0.41 -0.33 0.00 0.00 177.00 176.35 1x1e n GLY 175 N 0.06 0.97 3.51 0.52 0.00 -0.05 -3.43 105.19 106.77 1x1e n GLY 175 Ca 0.10 -0.72 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 1x1e n GLY 175 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1x1e s TYR 176 N 1.29 3.04 -0.00 1.61 2.02 -1.26 -4.81 117.35 119.24 1x1e s TYR 176 Ca 0.00 -0.11 0.03 0.00 -0.37 0.00 0.00 57.07 56.61 1x1e s TYR 176 Cb 0.00 -3.44 -0.03 0.00 -0.40 0.00 0.00 41.96 38.09 1x1e s TYR 176 CO 0.00 -0.93 -0.07 0.08 -1.57 0.00 0.00 175.55 173.06 1x1e s VAL 177 N 2.89 3.65 -0.54 0.71 1.01 -1.26 -0.77 120.40 126.08 1x1e s VAL 177 Ca 0.22 -0.74 -0.28 0.00 0.00 0.00 0.00 61.98 61.17 1x1e s VAL 177 Cb -0.15 -2.58 0.03 0.00 0.00 0.00 0.00 36.38 33.68 1x1e s VAL 177 CO 0.18 0.42 1.24 -1.61 0.00 0.00 0.00 175.10 175.33 1x1e s GLU 178 N -1.35 3.53 0.21 2.72 2.02 0.38 -4.71 118.70 121.50 1x1e s GLU 178 Ca 0.17 0.42 -0.08 0.00 0.02 0.00 0.00 54.97 55.50 1x1e s GLU 178 Cb -0.11 -4.01 -0.02 0.00 0.10 0.00 0.00 34.13 30.09 1x1e s GLU 178 CO 0.07 -1.65 0.32 0.95 0.02 0.00 0.00 175.26 174.97 1x1e s THR 179 N 5.08 0.02 0.29 3.63 -4.23 -1.26 -4.38 115.64 114.78 1x1e s THR 179 Ca 0.47 -1.60 -0.01 0.00 -1.18 0.00 0.00 61.69 59.38 1x1e s THR 179 Cb -0.08 -2.21 0.19 0.00 1.34 0.00 0.00 72.50 71.73 1x1e s THR 179 CO 0.28 -0.08 1.87 1.05 -0.54 0.00 0.00 174.62 177.20 1x1e h GLU 180 N 2.44 0.89 -0.81 3.99 4.11 -1.99 -2.42 114.58 120.79 1x1e h GLU 180 Ca -0.31 -0.14 0.02 0.00 0.07 0.00 0.00 59.36 59.01 1x1e h GLU 180 Cb 1.24 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 30.29 1x1e h GLU 180 CO 0.44 0.72 0.53 0.74 0.07 0.00 0.00 179.01 181.52 1x1e h PHE 181 N 0.87 0.99 -0.02 2.06 0.04 -1.96 -2.44 116.94 116.48 1x1e h PHE 181 Ca 0.21 0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.00 1x1e h PHE 181 Cb 0.16 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 37.98 1x1e h PHE 181 CO 0.01 0.60 -0.01 0.25 -0.60 0.00 0.00 178.31 178.56 1x1e n THR 182 N -4.43 0.00 -0.31 -1.55 -2.24 -1.05 -4.43 114.28 100.28 1x1e n THR 182 Ca 0.10 -0.36 0.08 0.00 -2.27 0.00 0.00 64.05 61.60 1x1e n THR 182 Cb 0.07 0.93 0.24 0.00 -2.10 0.00 0.00 70.33 69.47 1x1e n THR 182 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1x1e h LEU 183 N 3.35 0.58 0.00 3.22 5.85 -0.95 0.24 115.31 127.60 1x1e h LEU 183 Ca 0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1x1e h LEU 183 Cb 0.72 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.74 1x1e h LEU 183 CO 0.00 0.24 0.00 -0.81 -0.34 0.00 0.00 178.44 177.53 1x1e n PRO 184 N -4.84 0.13 -0.12 5.25 -0.04 -1.26 -2.18 135.00 131.94 1x1e n PRO 184 Ca 0.18 0.20 -0.24 0.00 -0.04 0.00 0.00 63.50 63.60 1x1e n PRO 184 Cb 0.45 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.29 1x1e n PRO 184 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 1x1e n LEU 185 N -1.31 2.34 0.00 1.53 0.00 0.04 -3.93 117.00 115.67 1x1e n LEU 185 Ca 0.05 0.19 0.05 0.00 0.00 0.00 0.00 56.01 56.29 1x1e n LEU 185 Cb 0.09 -0.90 0.25 0.00 0.00 0.00 0.00 43.42 42.85 1x1e n LEU 185 CO 0.08 0.68 0.56 0.54 0.00 0.00 0.00 177.39 179.25 1x1e n ARG 186 N -3.89 0.18 0.00 1.96 1.74 -1.02 -3.68 116.66 111.95 1x1e n ARG 186 Ca -0.47 0.14 0.00 0.00 -0.77 0.00 0.00 57.85 56.75 1x1e n ARG 186 Cb 0.91 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.85 1x1e n ARG 186 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 1x1e n GLN 187 N -1.20 0.00 -2.49 5.56 7.27 -0.93 -4.78 117.38 120.82 1x1e n GLN 187 Ca 0.05 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.71 1x1e n GLN 187 Cb 0.06 -0.28 -0.04 0.00 2.41 0.00 0.00 30.24 32.40 1x1e n GLN 187 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1x1e s ASN 188 N -1.99 7.23 0.61 1.69 4.22 -1.25 -4.92 114.94 120.52 1x1e s ASN 188 Ca 0.00 2.11 0.32 0.00 -2.14 0.00 0.00 52.86 53.15 1x1e s ASN 188 Cb 0.00 -2.60 1.86 0.00 1.28 0.00 0.00 41.25 41.78 1x1e s ASN 188 CO 0.00 -0.25 2.21 -0.65 -2.04 0.00 0.00 177.10 176.37 1x1e h PRO 189 N 5.14 0.00 -0.99 3.55 0.11 -1.87 -2.25 132.00 135.70 1x1e h PRO 189 Ca -0.44 0.00 0.26 0.00 0.11 0.00 0.00 66.00 65.93 1x1e h PRO 189 Cb 1.21 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 1x1e h PRO 189 CO 0.73 0.00 0.68 0.93 -0.21 0.00 0.00 178.00 180.13 1x1e h GLU 190 N 0.00 0.19 0.00 1.05 4.39 -1.93 -0.95 114.58 117.32 1x1e h GLU 190 Ca 0.03 -0.01 -0.30 0.00 0.34 0.00 0.00 59.36 59.42 1x1e h GLU 190 Cb 0.19 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.75 1x1e h GLU 190 CO -0.00 0.12 -2.04 1.28 -1.16 0.00 0.00 179.01 177.21 1x1e n LEU 191 N -4.40 1.88 -0.21 1.33 4.77 -0.87 -4.55 117.00 114.95 1x1e n LEU 191 Ca 0.22 0.12 -0.06 0.00 -0.03 0.00 0.00 56.01 56.26 1x1e n LEU 191 Cb 0.93 -0.58 0.04 0.00 -2.33 0.00 0.00 43.42 41.49 1x1e n LEU 191 CO 0.34 0.53 1.12 0.22 -1.33 0.00 0.00 177.39 178.27 1x1e h TYR 192 N -0.45 0.74 0.47 -1.77 5.03 -1.40 -2.97 116.97 116.62 1x1e h TYR 192 Ca -0.45 0.02 -0.02 0.00 2.58 0.00 0.00 58.73 60.85 1x1e h TYR 192 Cb 1.48 -0.25 0.00 0.00 1.55 0.00 0.00 36.73 39.52 1x1e h TYR 192 CO -0.03 0.46 -0.22 0.93 -1.32 0.00 0.00 178.16 177.97 1x1e h GLU 193 N 0.80 -0.60 -0.87 1.82 4.39 -1.44 -0.85 114.58 117.83 1x1e h GLU 193 Ca 0.22 0.04 0.05 0.00 0.34 0.00 0.00 59.36 60.01 1x1e h GLU 193 Cb -0.07 0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 28.66 1x1e h GLU 193 CO -0.06 -0.39 0.55 -1.35 -1.16 0.00 0.00 179.01 176.61 1x1e h PRO 194 N -0.65 1.02 0.31 2.33 0.11 -1.73 -1.27 132.00 132.11 1x1e h PRO 194 Ca -0.06 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.97 1x1e h PRO 194 Cb 0.49 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.38 1x1e h PRO 194 CO 0.11 0.67 -0.15 0.82 -0.21 0.00 0.00 178.00 179.24 1x1e h ILE 195 N 1.05 0.70 -0.26 4.15 2.04 -1.50 -3.15 117.51 120.53 1x1e h ILE 195 Ca 0.36 -0.53 0.04 0.00 1.00 0.00 0.00 64.86 65.73 1x1e h ILE 195 Cb 0.08 0.97 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1x1e h ILE 195 CO -0.14 0.10 0.18 0.74 0.00 0.00 0.00 178.15 179.03 1x1e h THR 196 N -0.72 0.96 0.00 -0.27 2.02 -1.02 -0.21 112.91 113.67 1x1e h THR 196 Ca -0.04 -0.06 -0.01 0.00 0.77 0.00 0.00 66.41 67.06 1x1e h THR 196 Cb 0.49 0.77 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1x1e h THR 196 CO 0.07 0.03 -0.07 0.00 0.37 0.00 0.00 175.52 175.92 1x1e h ALA 197 N 1.86 1.27 -0.06 6.16 0.00 -1.19 -1.40 119.26 125.91 1x1e h ALA 197 Ca 0.11 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1x1e h ALA 197 Cb 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1x1e h ALA 197 CO -0.02 0.09 0.00 0.54 0.00 0.00 0.00 179.25 179.86 1x1e n ARG 198 N -3.57 1.90 -3.38 0.00 1.74 -0.10 -4.76 116.66 108.49 1x1e n ARG 198 Ca -0.02 -1.32 -0.44 0.00 -0.77 0.00 0.00 57.85 55.30 1x1e n ARG 198 Cb 0.19 -1.47 -0.08 0.00 -1.02 0.00 0.00 32.46 30.08 1x1e n ARG 198 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1x1e s ILE 199 N -1.95 5.21 0.28 0.55 1.01 -0.53 -4.15 121.20 121.61 1x1e s ILE 199 Ca 0.35 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 60.12 1x1e s ILE 199 Cb 0.20 -4.09 0.28 0.00 0.01 0.00 0.00 42.46 38.87 1x1e s ILE 199 CO 0.32 -0.52 1.68 -0.65 0.00 0.00 0.00 174.94 175.76 1x1e h PRO 200 N 8.74 0.31 0.00 2.79 0.11 -1.78 0.34 132.00 142.50 1x1e h PRO 200 Ca -0.28 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1x1e h PRO 200 Cb 1.11 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1x1e h PRO 200 CO 0.85 0.20 0.00 -1.33 -0.21 0.00 0.00 178.00 177.51 1x1e n MET 201 N -5.12 0.04 -1.14 1.05 2.81 -1.05 -4.88 117.12 108.83 1x1e n MET 201 Ca 0.20 0.34 -0.05 0.00 -1.81 0.00 0.00 57.70 56.38 1x1e n MET 201 Cb 0.62 -1.59 -0.02 0.00 -0.71 0.00 0.00 33.22 31.52 1x1e n MET 201 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1x1e n GLY 202 N -0.31 0.66 3.34 3.03 0.00 0.12 -4.98 105.19 107.05 1x1e n GLY 202 Ca 0.02 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 1x1e n GLY 202 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1x1e s ARG 203 N -1.90 1.11 0.52 1.61 1.70 -1.26 -5.05 118.95 115.67 1x1e s ARG 203 Ca 0.00 -0.83 -0.07 0.00 -0.47 0.00 0.00 55.73 54.36 1x1e s ARG 203 Cb 0.00 0.45 -0.04 0.00 -0.57 0.00 0.00 34.95 34.79 1x1e s ARG 203 CO 0.00 -0.43 0.86 -1.58 -1.08 0.00 0.00 175.30 173.07 1x1e s TRP 204 N -3.84 3.58 0.50 5.89 0.52 -1.26 -4.97 118.94 119.36 1x1e s TRP 204 Ca 0.06 0.98 -0.08 0.00 0.02 0.00 0.00 56.10 57.08 1x1e s TRP 204 Cb 0.02 -2.44 -0.04 0.00 -1.15 0.00 0.00 33.47 29.85 1x1e s TRP 204 CO -0.09 -0.39 0.85 0.00 0.02 0.00 0.00 176.95 177.34 1x1e s ALA 205 N -2.85 3.31 0.01 0.98 0.00 0.05 -4.82 121.76 118.44 1x1e s ALA 205 Ca 0.50 -0.34 -0.09 0.00 0.00 0.00 0.00 51.96 52.03 1x1e s ALA 205 Cb -0.10 -2.74 -0.05 0.00 0.00 0.00 0.00 23.12 20.23 1x1e s ALA 205 CO 0.47 -0.37 0.32 1.03 0.00 0.00 0.00 175.76 177.20 1x1e s ARG 206 N -4.68 3.68 0.34 0.00 1.81 -1.26 -0.47 118.95 118.37 1x1e s ARG 206 Ca 0.50 0.08 0.12 0.00 -1.72 0.00 0.00 55.73 54.71 1x1e s ARG 206 Cb -0.10 -3.10 0.93 0.00 -0.45 0.00 0.00 34.95 32.23 1x1e s ARG 206 CO 0.44 0.65 1.76 -1.35 -0.68 0.00 0.00 175.30 176.12 1x1e h PRO 207 N 4.16 0.54 -0.08 3.54 0.11 -1.93 -0.22 132.00 138.13 1x1e h PRO 207 Ca -0.51 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.53 1x1e h PRO 207 Cb 1.20 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1x1e h PRO 207 CO 0.64 0.36 -0.12 1.49 -0.21 0.00 0.00 178.00 180.16 1x1e h GLU 208 N 0.56 0.12 -0.14 1.05 4.22 -1.93 -1.50 114.58 116.95 1x1e h GLU 208 Ca 0.61 -0.02 -0.12 0.00 0.08 0.00 0.00 59.36 59.91 1x1e h GLU 208 Cb 1.24 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 1x1e h GLU 208 CO -0.39 0.25 -0.44 0.93 -2.18 0.00 0.00 179.01 177.18 1x1e h GLU 209 N 0.12 0.34 -0.19 1.92 5.08 -1.43 -2.53 114.58 117.89 1x1e h GLU 209 Ca 0.02 -0.18 -0.20 0.00 -1.00 0.00 0.00 59.36 58.01 1x1e h GLU 209 Cb 0.29 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.55 1x1e h GLU 209 CO 0.02 0.72 -0.66 0.82 -1.00 0.00 0.00 179.01 178.92 1x1e h ILE 210 N 0.28 1.29 -0.02 3.13 1.08 -1.36 -3.22 117.51 118.69 1x1e h ILE 210 Ca 0.02 -1.86 -0.01 0.00 -0.39 0.00 0.00 64.86 62.62 1x1e h ILE 210 Cb 0.90 1.90 -0.00 0.00 -3.07 0.00 0.00 36.82 36.54 1x1e h ILE 210 CO 0.07 0.59 -0.02 0.00 -0.69 0.00 0.00 178.15 178.11 1x1e h ALA 211 N 0.58 1.94 -0.57 1.87 0.00 -1.09 -2.50 119.26 119.49 1x1e h ALA 211 Ca -0.03 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 54.92 1x1e h ALA 211 Cb 1.28 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.00 1x1e h ALA 211 CO 0.14 0.05 0.25 0.00 0.00 0.00 0.00 179.25 179.69 1x1e h ARG 212 N 0.02 0.46 -0.14 0.00 3.08 -1.46 -0.65 114.38 115.70 1x1e h ARG 212 Ca 0.01 -0.03 -0.19 0.00 0.07 0.00 0.00 59.98 59.84 1x1e h ARG 212 Cb 0.05 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1x1e h ARG 212 CO 0.00 0.30 -0.70 0.28 -1.07 0.00 0.00 179.97 178.79 1x1e h VAL 213 N 0.47 1.33 -0.77 2.04 2.07 -1.62 -3.03 116.25 116.74 1x1e h VAL 213 Ca 0.27 -1.99 0.06 0.00 0.82 0.00 0.00 66.70 65.86 1x1e h VAL 213 Cb 0.26 1.97 -0.06 0.00 -1.52 0.00 0.00 31.29 31.94 1x1e h VAL 213 CO -0.23 0.62 0.45 0.00 0.02 0.00 0.00 177.57 178.43 1x1e h ALA 214 N 0.80 1.04 -0.80 1.67 0.00 -1.07 -1.55 119.26 119.34 1x1e h ALA 214 Ca -0.03 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1x1e h ALA 214 Cb 1.29 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 1x1e h ALA 214 CO 0.13 0.17 0.53 0.00 0.00 0.00 0.00 179.25 180.08 1x1e h ALA 215 N 1.38 1.02 -0.38 0.00 0.00 -1.07 -1.79 119.26 118.41 1x1e h ALA 215 Ca 0.34 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1x1e h ALA 215 Cb 0.18 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1x1e h ALA 215 CO -0.18 0.41 0.25 0.28 0.00 0.00 0.00 179.25 180.02 1x1e h VAL 216 N 1.07 1.10 0.00 0.00 2.07 -1.22 -1.57 116.25 117.69 1x1e h VAL 216 Ca 0.30 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1x1e h VAL 216 Cb -0.11 0.53 0.00 0.00 -1.52 0.00 0.00 31.29 30.20 1x1e h VAL 216 CO -0.07 0.09 0.00 0.18 0.02 0.00 0.00 177.57 177.79 1x1e n LEU 217 N -4.82 0.00 -0.63 2.57 4.77 -0.67 -1.56 117.00 116.66 1x1e n LEU 217 Ca 0.00 0.30 0.07 0.00 -0.03 0.00 0.00 56.01 56.34 1x1e n LEU 217 Cb 0.02 -0.30 0.18 0.00 -2.33 0.00 0.00 43.42 41.00 1x1e n LEU 217 CO 0.34 -0.11 0.64 0.00 -1.33 0.00 0.00 177.39 176.93 1x1e n GLY 219 N -0.13 3.84 0.25 0.00 0.00 -0.60 -4.96 105.19 103.59 1x1e n GLY 219 Ca 0.15 -2.03 0.17 0.00 0.00 0.00 0.00 46.02 44.30 1x1e n GLY 219 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1x1e h ASP 220 N 0.54 0.00 0.08 1.61 3.32 -1.90 -2.22 116.42 117.84 1x1e h ASP 220 Ca -0.12 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.92 1x1e h ASP 220 Cb 0.42 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 1x1e h ASP 220 CO 0.18 0.00 -0.05 -0.33 -1.72 0.00 0.00 179.24 177.33 1x1e h GLU 221 N 0.00 0.00 -0.62 3.56 3.07 -1.94 -1.88 114.58 116.78 1x1e h GLU 221 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1x1e h GLU 221 Cb 0.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.09 1x1e h GLU 221 CO 0.00 0.05 0.00 0.00 -1.40 0.00 0.00 179.01 177.66 1x1e n ALA 222 N -2.43 2.95 -0.33 3.43 0.00 -0.84 -4.56 120.51 118.74 1x1e n ALA 222 Ca -0.03 -1.04 0.17 0.00 0.00 0.00 0.00 53.44 52.54 1x1e n ALA 222 Cb 0.13 -1.03 0.37 0.00 0.00 0.00 0.00 19.45 18.93 1x1e n ALA 222 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1x1e h GLU 223 N 2.65 0.43 -0.21 0.00 4.57 -1.50 -0.51 114.58 120.02 1x1e h GLU 223 Ca 0.00 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1x1e h GLU 223 Cb 1.08 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.57 1x1e h GLU 223 CO 0.17 0.28 0.00 0.98 -1.18 0.00 0.00 179.01 179.27 1x1e n TYR 224 N -5.00 0.75 -3.92 0.92 9.36 -1.26 -4.91 117.16 113.10 1x1e n TYR 224 Ca 0.26 -0.90 -0.35 0.00 3.32 0.00 0.00 57.90 60.23 1x1e n TYR 224 Cb 0.76 -0.28 -0.14 0.00 -0.63 0.00 0.00 39.34 39.05 1x1e n TYR 224 CO 0.00 0.00 0.00 -1.17 0.22 0.00 0.00 176.86 175.91 1x1e s LEU 225 N -2.84 3.97 -0.01 2.98 0.20 -0.20 -5.08 118.68 117.69 1x1e s LEU 225 Ca 0.40 -1.37 -0.20 0.00 0.69 0.00 0.00 54.13 53.65 1x1e s LEU 225 Cb 0.33 -1.70 0.04 0.00 -0.43 0.00 0.00 46.19 44.43 1x1e s LEU 225 CO 0.08 -0.28 0.44 0.28 -0.29 0.00 0.00 176.35 176.58 1x1e s THR 226 N 1.21 0.04 -0.70 3.68 -1.32 -1.26 -4.64 115.64 112.65 1x1e s THR 226 Ca -0.04 -0.32 0.00 0.00 -1.21 0.00 0.00 61.69 60.11 1x1e s THR 226 Cb -0.20 -0.79 0.00 0.00 -1.51 0.00 0.00 72.50 70.00 1x1e s THR 226 CO -0.02 -0.18 0.00 0.61 -2.21 0.00 0.00 174.62 172.82 1x1e n GLY 227 N 1.01 0.68 3.43 6.08 0.00 0.18 -4.95 105.19 111.63 1x1e n GLY 227 Ca -0.20 -0.70 -0.23 0.00 0.00 0.00 0.00 46.02 44.89 1x1e n GLY 227 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1x1e s GLN 228 N -3.08 1.55 -0.08 1.61 -1.52 -1.25 -4.51 119.66 112.38 1x1e s GLN 228 Ca 0.00 -1.67 -0.02 0.00 -1.95 0.00 0.00 55.36 51.72 1x1e s GLN 228 Cb 0.00 -1.61 -0.03 0.00 -0.22 0.00 0.00 33.01 31.14 1x1e s GLN 228 CO 0.00 0.31 0.01 0.00 -0.25 0.00 0.00 175.29 175.36 1x1e s ALA 229 N -2.44 3.33 -0.20 6.09 0.00 -1.26 -0.76 121.76 126.52 1x1e s ALA 229 Ca 0.26 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.41 1x1e s ALA 229 Cb -0.05 -1.50 0.05 0.00 0.00 0.00 0.00 23.12 21.62 1x1e s ALA 229 CO 0.12 0.60 -0.07 0.08 0.00 0.00 0.00 175.76 176.49 1x1e s VAL 230 N -0.92 1.38 -0.18 0.00 1.01 0.49 -4.94 120.40 117.25 1x1e s VAL 230 Ca 0.14 -0.92 -0.18 0.00 0.00 0.00 0.00 61.98 61.01 1x1e s VAL 230 Cb -0.11 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 1x1e s VAL 230 CO 0.03 0.06 0.51 0.00 0.00 0.00 0.00 175.10 175.71 1x1e s ALA 231 N 1.50 3.52 -0.58 5.51 0.00 -1.26 -0.34 121.76 130.11 1x1e s ALA 231 Ca -0.02 -0.34 0.04 0.00 0.00 0.00 0.00 51.96 51.64 1x1e s ALA 231 Cb -0.17 -2.78 0.14 0.00 0.00 0.00 0.00 23.12 20.32 1x1e s ALA 231 CO -0.07 -0.34 0.34 0.08 0.00 0.00 0.00 175.76 175.77 1x1e s VAL 232 N 1.40 2.66 -0.05 0.00 1.01 -0.41 -4.92 120.40 120.09 1x1e s VAL 232 Ca 0.25 -3.63 0.08 0.00 0.00 0.00 0.00 61.98 58.68 1x1e s VAL 232 Cb -0.15 -2.81 0.12 0.00 0.00 0.00 0.00 36.38 33.54 1x1e s VAL 232 CO 0.10 -0.87 1.03 -0.90 0.00 0.00 0.00 175.10 174.46 1x1e n ASP 233 N 2.74 1.10 -0.81 3.32 5.75 -1.26 -0.87 116.55 126.51 1x1e n ASP 233 Ca 0.10 -2.40 -0.11 0.00 -0.01 0.00 0.00 54.79 52.37 1x1e n ASP 233 Cb 0.33 -0.27 -0.05 0.00 -1.03 0.00 0.00 41.12 40.10 1x1e n ASP 233 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1x1e n GLY 234 N -0.64 1.08 0.59 6.12 0.00 -1.26 -2.15 105.19 108.93 1x1e n GLY 234 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1x1e n GLY 234 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x1e n GLY 235 N -0.38 0.68 0.26 -0.02 0.00 -1.26 -2.52 105.19 101.95 1x1e n GLY 235 Ca -0.11 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.85 1x1e n GLY 235 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1x1e h PHE 236 N 0.00 -0.56 -0.08 1.61 3.57 -1.59 -1.62 116.94 118.27 1x1e h PHE 236 Ca 0.00 0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.47 1x1e h PHE 236 Cb 0.00 0.30 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1x1e h PHE 236 CO 0.00 -0.30 -0.30 -0.07 -2.23 0.00 0.00 178.31 175.41 1x1e h LEU 237 N -0.15 0.15 -0.43 0.59 3.38 -1.86 -2.90 115.31 114.10 1x1e h LEU 237 Ca 0.19 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 1x1e h LEU 237 Cb 0.44 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1x1e h LEU 237 CO -0.47 0.45 -0.34 0.00 0.09 0.00 0.00 178.44 178.17 1x1e h ALA 238 N 1.56 0.84 0.00 1.53 0.00 -1.77 -3.54 119.26 117.89 1x1e h ALA 238 Ca 0.02 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1x1e h ALA 238 Cb 0.61 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1x1e h ALA 238 CO 0.04 0.43 0.00 0.98 0.00 0.00 0.00 179.25 180.70