#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c8u h GLN 3 N 0.00 0.10 -0.08 4.33 5.75 -1.95 -2.67 115.11 120.59 1c8u h GLN 3 Ca 0.00 -0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.52 1c8u h GLN 3 Cb 0.00 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.50 1c8u h GLN 3 CO 0.00 0.09 -0.07 0.00 -2.65 0.00 0.00 178.83 176.19 1c8u h ALA 4 N 1.93 -0.01 -0.22 3.38 0.00 -1.88 0.10 119.26 122.57 1c8u h ALA 4 Ca 0.03 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1c8u h ALA 4 Cb 0.03 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1c8u h ALA 4 CO -0.00 -0.54 0.12 1.25 0.00 0.00 0.00 179.25 180.08 1c8u h LEU 5 N -0.09 0.19 -1.75 0.00 5.85 -1.69 -0.00 115.31 117.82 1c8u h LEU 5 Ca 0.06 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.75 1c8u h LEU 5 Cb 0.17 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 1c8u h LEU 5 CO -0.14 0.14 -0.15 0.07 -0.34 0.00 0.00 178.44 178.03 1c8u h LYS 6 N 0.26 0.00 -0.21 1.25 2.10 -1.44 0.21 116.57 118.73 1c8u h LYS 6 Ca 0.09 0.00 -0.16 0.00 -2.00 0.00 0.00 60.65 58.58 1c8u h LYS 6 Cb 0.01 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.33 1c8u h LYS 6 CO -0.05 0.15 -0.51 -0.91 -2.00 0.00 0.00 179.45 176.13 1c8u h ASN 7 N 0.00 0.64 -0.11 7.07 -0.26 0.12 -1.20 115.58 121.84 1c8u h ASN 7 Ca -0.00 -0.33 -0.06 0.00 -0.56 0.00 0.00 56.30 55.35 1c8u h ASN 7 Cb 0.28 -0.18 -0.00 0.00 -1.06 0.00 0.00 38.32 37.36 1c8u h ASN 7 CO 0.02 1.04 -0.17 0.25 -1.06 0.00 0.00 177.43 177.50 1c8u h LEU 8 N 0.45 0.34 -1.44 1.61 5.85 -0.01 -1.68 115.31 120.42 1c8u h LEU 8 Ca 0.02 -0.54 -0.02 0.00 0.84 0.00 0.00 57.88 58.18 1c8u h LEU 8 Cb 1.05 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 1c8u h LEU 8 CO 0.10 0.81 0.15 -0.07 -0.34 0.00 0.00 178.44 179.09 1c8u h LEU 9 N -0.13 0.47 -0.45 2.25 3.38 -0.98 0.26 115.31 120.11 1c8u h LEU 9 Ca 0.01 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.79 1c8u h LEU 9 Cb 0.74 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1c8u h LEU 9 CO 0.04 0.43 -0.28 0.74 0.09 0.00 0.00 178.44 179.46 1c8u h THR 10 N 0.53 1.27 -0.07 0.22 2.02 -1.17 -2.05 112.91 113.66 1c8u h THR 10 Ca 0.13 -1.45 -0.08 0.00 0.77 0.00 0.00 66.41 65.78 1c8u h THR 10 Cb 0.10 1.21 -0.01 0.00 -1.74 0.00 0.00 68.15 67.71 1c8u h THR 10 CO -0.01 0.50 -0.32 0.25 0.37 0.00 0.00 175.52 176.30 1c8u h LEU 11 N 0.83 0.13 0.00 2.58 5.85 -0.29 -2.58 115.31 121.83 1c8u h LEU 11 Ca 0.09 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1c8u h LEU 11 Cb 0.87 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.86 1c8u h LEU 11 CO 0.08 0.45 -0.33 -0.07 -0.34 0.00 0.00 178.44 178.22 1c8u h LEU 12 N 0.11 0.00 -8.05 2.25 3.38 -0.87 -3.41 115.31 108.73 1c8u h LEU 12 Ca 0.01 -0.01 -0.64 0.00 0.09 0.00 0.00 57.88 57.33 1c8u h LEU 12 Cb 0.62 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.25 1c8u h LEU 12 CO 0.05 0.01 1.28 0.21 0.09 0.00 0.00 178.44 180.07 1c8u s ASN 13 N -5.67 6.57 0.73 -0.43 2.47 -0.78 -4.74 114.94 113.09 1c8u s ASN 13 Ca 0.05 -1.72 -0.15 0.00 0.42 0.00 0.00 52.86 51.45 1c8u s ASN 13 Cb 0.08 -2.50 0.04 0.00 -1.45 0.00 0.00 41.25 37.41 1c8u s ASN 13 CO 0.70 -1.32 1.24 -0.76 -3.72 0.00 0.00 177.10 173.24 1c8u s LEU 14 N 4.06 3.34 -0.15 3.21 1.43 -1.26 -4.94 118.68 124.36 1c8u s LEU 14 Ca 0.41 2.48 -0.24 0.00 -1.03 0.00 0.00 54.13 55.75 1c8u s LEU 14 Cb -0.02 -4.60 -0.02 0.00 0.03 0.00 0.00 46.19 41.58 1c8u s LEU 14 CO -0.09 -2.36 0.78 -0.70 0.23 0.00 0.00 176.35 174.20 1c8u s GLU 15 N -3.80 4.32 -0.09 1.70 2.12 -0.82 -4.93 118.70 117.21 1c8u s GLU 15 Ca 0.77 0.94 -0.27 0.00 0.36 0.00 0.00 54.97 56.77 1c8u s GLU 15 Cb -0.32 -3.55 -0.02 0.00 0.26 0.00 0.00 34.13 30.50 1c8u s GLU 15 CO 0.46 -0.23 0.87 0.21 -0.54 0.00 0.00 175.26 176.03 1c8u s LYS 16 N 1.81 4.43 -0.22 4.30 2.20 -1.26 -0.99 119.74 130.00 1c8u s LYS 16 Ca 0.37 1.17 0.08 0.00 -0.36 0.00 0.00 55.97 57.23 1c8u s LYS 16 Cb -0.17 -3.51 -0.19 0.00 -1.51 0.00 0.00 37.83 32.45 1c8u s LYS 16 CO 0.14 -0.16 -0.10 -0.89 -0.36 0.00 0.00 175.35 173.98 1c8u n ILE 17 N 4.24 1.38 -3.82 5.43 2.08 0.37 -4.96 119.36 124.08 1c8u n ILE 17 Ca 0.04 -0.65 -0.03 0.00 0.56 0.00 0.00 62.75 62.67 1c8u n ILE 17 Cb 0.50 -1.01 0.00 0.00 -0.75 0.00 0.00 39.64 38.38 1c8u n ILE 17 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 1c8u s GLU 18 N -2.48 1.21 0.07 0.38 0.41 -0.80 -5.01 118.70 112.47 1c8u s GLU 18 Ca -0.24 -0.74 -0.33 0.00 -0.41 0.00 0.00 54.97 53.26 1c8u s GLU 18 Cb 0.07 0.37 -0.12 0.00 -1.78 0.00 0.00 34.13 32.67 1c8u s GLU 18 CO 0.66 -0.56 1.78 0.39 -0.49 0.00 0.00 175.26 177.03 1c8u n GLU 19 N -0.60 2.42 -1.83 1.61 -0.58 -1.26 -1.01 120.64 119.39 1c8u n GLU 19 Ca -0.04 0.88 -0.18 0.00 -0.42 0.00 0.00 57.16 57.40 1c8u n GLU 19 Cb 0.60 -2.72 -0.05 0.00 -0.57 0.00 0.00 31.44 28.70 1c8u n GLU 19 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1c8u n GLY 20 N 4.04 0.93 2.62 0.62 0.00 -1.26 -4.94 105.19 107.20 1c8u n GLY 20 Ca 0.19 -0.16 -0.26 0.00 0.00 0.00 0.00 46.02 45.79 1c8u n GLY 20 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1c8u s LEU 21 N -4.42 0.38 0.33 0.99 2.96 -0.18 -0.45 118.68 118.29 1c8u s LEU 21 Ca 0.00 -0.60 0.06 0.00 -0.22 0.00 0.00 54.13 53.37 1c8u s LEU 21 Cb 0.00 -0.26 -0.07 0.00 0.50 0.00 0.00 46.19 46.37 1c8u s LEU 21 CO 0.00 -0.35 -0.02 -0.36 -1.32 0.00 0.00 176.35 174.30 1c8u s PHE 22 N 2.13 2.16 -0.04 5.38 0.40 0.21 -0.48 117.98 127.73 1c8u s PHE 22 Ca 0.02 -0.72 0.02 0.00 -0.60 0.00 0.00 56.93 55.65 1c8u s PHE 22 Cb -0.16 -1.35 0.01 0.00 0.51 0.00 0.00 43.02 42.03 1c8u s PHE 22 CO -0.09 0.31 -0.08 0.50 0.70 0.00 0.00 175.22 176.55 1c8u s ARG 23 N -3.74 1.12 0.06 0.44 3.52 -0.16 -0.43 118.95 119.75 1c8u s ARG 23 Ca 0.33 -0.27 0.06 0.00 -0.13 0.00 0.00 55.73 55.72 1c8u s ARG 23 Cb 0.06 -1.01 -0.03 0.00 -1.56 0.00 0.00 34.95 32.41 1c8u s ARG 23 CO 0.15 0.03 -0.17 0.20 -0.81 0.00 0.00 175.30 174.70 1c8u s GLY 24 N 0.54 1.00 0.49 8.12 0.00 0.13 -1.94 107.32 115.65 1c8u s GLY 24 Ca -0.09 -1.01 -0.04 0.00 0.00 0.00 0.00 44.72 43.58 1c8u s GLY 24 CO 0.01 -0.99 0.77 1.20 0.00 0.00 0.00 173.10 174.09 1c8u s GLN 25 N -1.42 3.32 0.25 2.90 -1.52 -1.26 0.08 119.66 122.00 1c8u s GLN 25 Ca 0.04 -0.01 0.03 0.00 -1.95 0.00 0.00 55.36 53.47 1c8u s GLN 25 Cb -0.09 -2.41 -0.05 0.00 -0.22 0.00 0.00 33.01 30.24 1c8u s GLN 25 CO 0.02 -0.30 0.04 -1.12 -0.25 0.00 0.00 175.29 173.68 1c8u s SER 26 N -4.16 1.65 0.13 5.90 0.01 -1.26 -4.86 113.70 111.11 1c8u s SER 26 Ca 0.48 -1.29 0.00 0.00 1.31 0.00 0.00 55.95 56.45 1c8u s SER 26 Cb -0.10 0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.18 1c8u s SER 26 CO 0.43 -0.60 0.00 1.21 0.41 0.00 0.00 173.24 174.69 1c8u n GLU 27 N -0.46 0.00 0.00 12.44 0.00 -1.26 -4.86 120.64 126.50 1c8u n GLU 27 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.13 1c8u n GLU 27 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.09 1c8u n GLU 27 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 1c8u n ASP 28 N 1.07 0.00 -3.16 4.31 9.92 -1.26 -4.93 116.55 122.50 1c8u n ASP 28 Ca 0.00 0.00 -0.35 0.00 -0.53 0.00 0.00 54.79 53.91 1c8u n ASP 28 Cb 0.00 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 40.45 1c8u n ASP 28 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1c8u n LEU 29 N 0.00 7.78 0.00 0.64 4.77 -1.26 -4.88 117.00 124.04 1c8u n LEU 29 Ca 0.00 -4.47 0.00 0.00 -0.03 0.00 0.00 56.01 51.51 1c8u n LEU 29 Cb 0.00 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 39.69 1c8u n LEU 29 CO 0.00 1.99 0.00 0.61 -1.33 0.00 0.00 177.39 178.66 1c8u n GLY 30 N 2.18 0.30 1.20 -0.72 0.00 -1.26 -5.10 105.19 101.78 1c8u n GLY 30 Ca 0.63 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 45.17 1c8u n GLY 30 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1c8u n LEU 31 N -0.44 -4.29 0.00 0.99 4.32 -1.26 -4.88 117.00 111.45 1c8u n LEU 31 Ca 0.00 2.13 -0.18 0.00 -0.02 0.00 0.00 56.01 57.94 1c8u n LEU 31 Cb 0.00 -1.72 -0.09 0.00 -1.62 0.00 0.00 43.42 39.99 1c8u n LEU 31 CO 0.00 -0.27 0.21 -0.09 -1.22 0.00 0.00 177.39 176.02 1c8u h ARG 32 N 1.81 0.68 -6.78 3.23 2.43 -1.99 -3.44 114.38 110.32 1c8u h ARG 32 Ca 0.00 -0.64 -0.56 0.00 -0.81 0.00 0.00 59.98 57.97 1c8u h ARG 32 Cb 0.00 0.16 0.17 0.00 -0.42 0.00 0.00 29.97 29.88 1c8u h ARG 32 CO 0.00 1.24 -0.09 0.94 -1.51 0.00 0.00 179.97 180.55 1c8u n GLN 33 N -3.98 0.56 -2.54 0.20 7.27 -1.26 -2.51 117.38 115.12 1c8u n GLN 33 Ca -0.09 0.24 -0.41 0.00 0.07 0.00 0.00 57.00 56.80 1c8u n GLN 33 Cb 0.77 -2.04 -0.04 0.00 2.41 0.00 0.00 30.24 31.35 1c8u n GLN 33 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1c8u s VAL 34 N -1.74 4.00 0.13 1.69 1.01 -0.03 -4.69 120.40 120.76 1c8u s VAL 34 Ca 0.72 1.67 -0.31 0.00 0.00 0.00 0.00 61.98 64.05 1c8u s VAL 34 Cb -0.38 -4.06 -0.08 0.00 0.00 0.00 0.00 36.38 31.86 1c8u s VAL 34 CO 0.51 0.26 1.36 0.12 0.00 0.00 0.00 175.10 177.36 1c8u s PHE 35 N -0.01 3.26 0.32 5.22 5.36 -1.26 -4.70 117.98 126.17 1c8u s PHE 35 Ca 0.50 1.02 0.07 0.00 -0.96 0.00 0.00 56.93 57.56 1c8u s PHE 35 Cb -0.28 -3.65 0.74 0.00 -0.34 0.00 0.00 43.02 39.49 1c8u s PHE 35 CO 0.33 -2.22 1.82 0.78 -1.46 0.00 0.00 175.22 174.47 1c8u h GLY 36 N 6.55 1.52 1.33 13.12 0.00 -1.94 -1.10 103.07 122.55 1c8u h GLY 36 Ca -0.43 -0.35 0.03 0.00 0.00 0.00 0.00 47.33 46.59 1c8u h GLY 36 CO 0.84 0.04 0.39 -1.33 0.00 0.00 0.00 176.54 176.49 1c8u h GLY 37 N 0.78 0.79 0.96 4.60 0.00 -1.89 -1.48 103.07 106.83 1c8u h GLY 37 Ca 0.52 -0.28 -0.00 0.00 0.00 0.00 0.00 47.33 47.57 1c8u h GLY 37 CO -0.29 0.25 0.17 -1.61 0.00 0.00 0.00 176.54 175.06 1c8u h GLN 38 N 0.71 0.41 -0.26 4.80 4.15 -1.50 0.12 115.11 123.53 1c8u h GLN 38 Ca 0.23 -0.04 -0.00 0.00 0.77 0.00 0.00 58.65 59.61 1c8u h GLN 38 Cb 0.06 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 1c8u h GLN 38 CO -0.06 0.33 0.14 0.28 -1.93 0.00 0.00 178.83 177.60 1c8u h VAL 39 N 0.36 1.12 -0.10 2.39 2.07 -1.37 -0.48 116.25 120.24 1c8u h VAL 39 Ca 0.10 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.32 1c8u h VAL 39 Cb 0.04 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1c8u h VAL 39 CO -0.02 0.12 0.01 0.58 0.02 0.00 0.00 177.57 178.28 1c8u h VAL 40 N 0.31 0.94 -0.39 2.57 2.07 -1.05 0.12 116.25 120.83 1c8u h VAL 40 Ca 0.09 -0.02 0.02 0.00 0.82 0.00 0.00 66.70 67.62 1c8u h VAL 40 Cb 0.06 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 1c8u h VAL 40 CO -0.01 0.01 0.22 1.23 0.02 0.00 0.00 177.57 179.04 1c8u h GLY 41 N 0.05 0.54 1.35 2.17 0.00 -0.56 -1.07 103.07 105.54 1c8u h GLY 41 Ca 0.04 -0.16 -0.14 0.00 0.00 0.00 0.00 47.33 47.07 1c8u h GLY 41 CO -0.07 0.14 -0.35 1.46 0.00 0.00 0.00 176.54 177.72 1c8u h GLN 42 N 0.45 0.73 -0.58 4.80 4.20 -0.89 -2.03 115.11 121.79 1c8u h GLN 42 Ca 0.16 -0.35 -0.07 0.00 0.06 0.00 0.00 58.65 58.45 1c8u h GLN 42 Cb 0.02 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 1c8u h GLN 42 CO -0.08 0.97 0.09 0.00 -0.67 0.00 0.00 178.83 179.13 1c8u h ALA 43 N 1.00 1.05 -0.68 3.87 0.00 -0.51 -1.32 119.26 122.67 1c8u h ALA 43 Ca 0.06 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1c8u h ALA 43 Cb 0.88 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1c8u h ALA 43 CO 0.08 0.61 0.12 -0.07 0.00 0.00 0.00 179.25 179.98 1c8u h LEU 44 N 0.89 1.08 0.10 0.00 3.38 -1.00 -0.40 115.31 119.38 1c8u h LEU 44 Ca 0.18 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1c8u h LEU 44 Cb 0.40 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1c8u h LEU 44 CO 0.01 1.06 -0.05 0.22 0.09 0.00 0.00 178.44 179.77 1c8u h TYR 45 N 1.05 -0.13 -0.39 1.13 3.20 -0.94 -0.57 116.97 120.32 1c8u h TYR 45 Ca 0.21 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.13 1c8u h TYR 45 Cb 0.44 0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.70 1c8u h TYR 45 CO 0.03 -0.00 0.11 0.00 -1.64 0.00 0.00 178.16 176.66 1c8u h ALA 46 N 0.66 0.45 0.12 1.82 0.00 -1.09 -1.64 119.26 119.57 1c8u h ALA 46 Ca -0.01 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1c8u h ALA 46 Cb 0.19 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1c8u h ALA 46 CO 0.02 -0.28 -0.08 0.00 0.00 0.00 0.00 179.25 178.91 1c8u h ALA 47 N 1.27 -0.18 0.00 0.00 0.00 -0.89 -2.80 119.26 116.67 1c8u h ALA 47 Ca 0.19 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1c8u h ALA 47 Cb 0.19 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1c8u h ALA 47 CO -0.21 -0.61 -0.09 1.57 0.00 0.00 0.00 179.25 179.91 1c8u h LYS 48 N -0.20 0.00 0.00 0.00 5.09 -0.80 -1.70 116.57 118.96 1c8u h LYS 48 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.72 1c8u h LYS 48 Cb 0.17 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.50 1c8u h LYS 48 CO 0.00 0.09 -0.05 0.93 -2.09 0.00 0.00 179.45 178.32 1c8u h GLU 49 N 0.00 0.00 -0.46 0.07 4.39 -1.02 -2.37 114.58 115.19 1c8u h GLU 49 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1c8u h GLU 49 Cb 0.19 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1c8u h GLU 49 CO 0.01 0.05 0.00 0.25 -1.16 0.00 0.00 179.01 178.16 1c8u n THR 50 N -3.37 0.60 -4.19 1.13 -2.24 -0.64 -4.96 114.28 100.61 1c8u n THR 50 Ca -0.02 -0.80 -0.30 0.00 -2.27 0.00 0.00 64.05 60.67 1c8u n THR 50 Cb 0.20 0.90 -0.09 0.00 -2.10 0.00 0.00 70.33 69.24 1c8u n THR 50 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1c8u s VAL 51 N -1.40 3.65 0.37 2.28 1.01 -0.89 -5.08 120.40 120.34 1c8u s VAL 51 Ca 0.41 -1.14 -0.26 0.00 0.00 0.00 0.00 61.98 60.99 1c8u s VAL 51 Cb 0.24 -2.72 -0.12 0.00 0.00 0.00 0.00 36.38 33.78 1c8u s VAL 51 CO 0.32 0.12 1.10 -2.65 0.00 0.00 0.00 175.10 173.99 1c8u n PRO 52 N 0.66 1.58 -0.29 2.72 -0.02 -1.26 -4.85 135.00 133.54 1c8u n PRO 52 Ca -0.12 0.56 0.10 0.00 -2.02 0.00 0.00 63.50 62.01 1c8u n PRO 52 Cb 0.52 -2.09 0.33 0.00 -0.02 0.00 0.00 33.50 32.24 1c8u n PRO 52 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1c8u h GLU 53 N 1.92 0.78 0.00 -0.52 4.81 -1.98 -1.90 114.58 117.69 1c8u h GLU 53 Ca -0.44 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1c8u h GLU 53 Cb 1.32 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1c8u h GLU 53 CO 0.59 0.52 0.00 -1.91 -0.73 0.00 0.00 179.01 177.48 1c8u n GLU 54 N -4.56 0.19 -3.20 1.92 2.13 -1.26 -4.66 120.64 111.20 1c8u n GLU 54 Ca 0.17 0.29 -0.42 0.00 0.66 0.00 0.00 57.16 57.86 1c8u n GLU 54 Cb 0.40 -1.78 -0.07 0.00 0.27 0.00 0.00 31.44 30.25 1c8u n GLU 54 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1c8u s ARG 55 N -3.18 3.44 0.03 5.31 0.52 -0.72 -4.10 118.95 120.26 1c8u s ARG 55 Ca 0.08 -0.29 -0.07 0.00 -0.52 0.00 0.00 55.73 54.93 1c8u s ARG 55 Cb 0.11 -3.88 -0.05 0.00 0.52 0.00 0.00 34.95 31.66 1c8u s ARG 55 CO 0.47 -0.80 0.30 -0.51 0.02 0.00 0.00 175.30 174.78 1c8u s LEU 56 N 2.53 4.36 0.31 2.53 1.43 -0.18 -4.59 118.68 125.07 1c8u s LEU 56 Ca 0.20 0.60 -0.30 0.00 -1.03 0.00 0.00 54.13 53.60 1c8u s LEU 56 Cb -0.15 -2.76 -0.11 0.00 0.03 0.00 0.00 46.19 43.19 1c8u s LEU 56 CO 0.15 0.23 1.60 0.55 0.23 0.00 0.00 176.35 179.11 1c8u n VAL 57 N 1.03 1.14 0.00 -1.59 3.14 -1.26 -1.19 118.33 119.60 1c8u n VAL 57 Ca -0.10 -0.28 0.00 0.00 -2.96 0.00 0.00 64.34 60.99 1c8u n VAL 57 Cb 0.53 -2.00 0.00 0.00 -1.06 0.00 0.00 33.84 31.31 1c8u n VAL 57 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1c8u n HIS 58 N 1.96 0.00 -3.54 1.45 1.44 -0.18 -4.71 115.22 111.64 1c8u n HIS 58 Ca 0.07 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.70 1c8u n HIS 58 Cb 0.37 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.46 1c8u n HIS 58 CO 0.00 0.00 0.00 -1.54 -2.81 0.00 0.00 176.34 171.99 1c8u s SER 59 N -1.34 -0.33 -0.02 4.39 1.04 -1.20 -0.70 113.70 115.54 1c8u s SER 59 Ca 0.00 0.10 -0.28 0.00 0.48 0.00 0.00 55.95 56.25 1c8u s SER 59 Cb 0.00 0.32 0.06 0.00 0.10 0.00 0.00 66.02 66.51 1c8u s SER 59 CO 0.00 -0.49 0.62 0.72 0.98 0.00 0.00 173.24 175.07 1c8u s PHE 60 N -2.52 -0.57 0.04 5.02 -0.12 -0.50 -0.81 117.98 118.53 1c8u s PHE 60 Ca 0.04 0.89 0.07 0.00 -0.05 0.00 0.00 56.93 57.88 1c8u s PHE 60 Cb -0.01 0.38 -0.02 0.00 -0.63 0.00 0.00 43.02 42.74 1c8u s PHE 60 CO -0.06 -0.61 -0.19 -1.01 -0.05 0.00 0.00 175.22 173.30 1c8u s HIS 61 N -1.58 1.65 -0.05 3.49 3.76 -0.17 -1.75 115.29 120.65 1c8u s HIS 61 Ca -0.10 -0.37 -0.18 0.00 -0.15 0.00 0.00 55.06 54.26 1c8u s HIS 61 Cb -0.01 -0.98 0.04 0.00 1.11 0.00 0.00 32.58 32.74 1c8u s HIS 61 CO 0.06 0.08 0.41 -1.54 -0.85 0.00 0.00 174.74 172.90 1c8u s SER 62 N -1.19 -0.33 -0.03 1.40 1.04 -0.72 -0.79 113.70 113.07 1c8u s SER 62 Ca 0.06 0.35 0.05 0.00 0.48 0.00 0.00 55.95 56.88 1c8u s SER 62 Cb -0.09 0.45 -0.01 0.00 0.10 0.00 0.00 66.02 66.48 1c8u s SER 62 CO 0.02 -0.44 -0.16 -0.31 0.98 0.00 0.00 173.24 173.33 1c8u s TYR 63 N -1.05 1.58 -0.20 5.02 1.51 -0.53 -1.19 117.35 122.48 1c8u s TYR 63 Ca -0.11 -0.39 -0.10 0.00 -1.01 0.00 0.00 57.07 55.46 1c8u s TYR 63 Cb -0.04 -1.05 -0.05 0.00 -0.11 0.00 0.00 41.96 40.71 1c8u s TYR 63 CO 0.05 -0.11 0.13 -0.06 -1.11 0.00 0.00 175.55 174.45 1c8u s PHE 64 N -0.11 3.39 -0.15 2.71 0.40 0.13 -1.83 117.98 122.52 1c8u s PHE 64 Ca 0.00 0.31 0.09 0.00 -0.60 0.00 0.00 56.93 56.73 1c8u s PHE 64 Cb -0.09 -2.17 -0.15 0.00 0.51 0.00 0.00 43.02 41.11 1c8u s PHE 64 CO 0.01 0.25 -0.01 1.28 0.70 0.00 0.00 175.22 177.46 1c8u n LEU 65 N 3.62 0.83 -3.96 -0.37 4.77 -0.41 -4.80 117.00 116.69 1c8u n LEU 65 Ca -0.16 -0.03 -0.09 0.00 -0.03 0.00 0.00 56.01 55.70 1c8u n LEU 65 Cb 0.52 0.07 -0.10 0.00 -2.33 0.00 0.00 43.42 41.58 1c8u n LEU 65 CO 0.37 0.47 -0.27 -0.13 -1.33 0.00 0.00 177.39 176.49 1c8u s ARG 66 N -2.34 0.48 0.18 3.23 0.52 -1.14 -5.02 118.95 114.87 1c8u s ARG 66 Ca -0.11 -0.71 -0.30 0.00 -0.52 0.00 0.00 55.73 54.08 1c8u s ARG 66 Cb 0.05 0.18 -0.08 0.00 0.52 0.00 0.00 34.95 35.62 1c8u s ARG 66 CO 0.52 -0.11 1.19 -2.14 0.02 0.00 0.00 175.30 174.78 1c8u s PRO 67 N -2.21 4.50 0.29 3.54 0.02 -1.26 -4.80 135.00 135.09 1c8u s PRO 67 Ca -0.09 1.86 -0.19 0.00 0.02 0.00 0.00 61.00 62.60 1c8u s PRO 67 Cb -0.04 -3.25 -0.09 0.00 0.02 0.00 0.00 34.50 31.14 1c8u s PRO 67 CO -0.03 -0.07 0.79 0.20 -0.33 0.00 0.00 177.00 177.55 1c8u s GLY 68 N 0.13 2.53 -0.32 0.52 0.00 -1.26 -4.95 107.32 103.96 1c8u s GLY 68 Ca 0.53 0.21 -0.14 0.00 0.00 0.00 0.00 44.72 45.32 1c8u s GLY 68 CO 0.36 0.53 0.31 -0.35 0.00 0.00 0.00 173.10 173.95 1c8u s ASP 69 N -1.89 6.13 0.00 1.64 3.68 -1.26 -0.86 116.67 124.11 1c8u s ASP 69 Ca 0.50 -0.19 0.18 0.00 2.13 0.00 0.00 52.55 55.17 1c8u s ASP 69 Cb -0.14 -2.17 0.87 0.00 -1.45 0.00 0.00 42.92 40.03 1c8u s ASP 69 CO 0.19 -0.25 1.58 -1.54 0.13 0.00 0.00 175.17 175.28 1c8u n SER 70 N 5.25 0.00 0.14 -0.34 3.41 -1.05 -2.32 113.62 118.71 1c8u n SER 70 Ca -0.11 0.23 0.13 0.00 -0.26 0.00 0.00 58.87 58.85 1c8u n SER 70 Cb 0.50 -0.38 0.28 0.00 -0.26 0.00 0.00 64.21 64.35 1c8u n SER 70 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1c8u h LYS 71 N 0.00 0.00 -6.48 4.33 1.79 -1.89 -3.37 116.57 110.95 1c8u h LYS 71 Ca 0.00 0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 57.84 1c8u h LYS 71 Cb 0.23 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 30.74 1c8u h LYS 71 CO 0.00 0.00 -0.74 0.15 -1.08 0.00 0.00 179.45 177.78 1c8u s LYS 72 N -3.16 1.97 0.93 3.15 1.02 -0.98 -5.02 119.74 117.64 1c8u s LYS 72 Ca 0.08 -1.30 -0.12 0.00 0.02 0.00 0.00 55.97 54.65 1c8u s LYS 72 Cb 0.10 -2.11 0.15 0.00 -0.52 0.00 0.00 37.83 35.44 1c8u s LYS 72 CO 0.64 0.43 1.13 -1.25 -0.92 0.00 0.00 175.35 175.39 1c8u s PRO 73 N -2.76 1.01 -0.03 -1.68 0.04 -1.26 -4.46 135.00 125.85 1c8u s PRO 73 Ca 0.24 0.33 0.05 0.00 0.04 0.00 0.00 61.00 61.67 1c8u s PRO 73 Cb -0.09 -1.82 -0.01 0.00 0.04 0.00 0.00 34.50 32.62 1c8u s PRO 73 CO 0.14 -2.29 -0.20 0.42 0.04 0.00 0.00 177.00 175.11 1c8u s ILE 74 N -3.22 1.61 -0.19 0.56 1.01 0.11 -4.82 121.20 116.26 1c8u s ILE 74 Ca 0.64 -0.84 -0.09 0.00 0.00 0.00 0.00 60.65 60.36 1c8u s ILE 74 Cb -0.15 -1.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.91 1c8u s ILE 74 CO 0.54 0.46 0.09 -0.63 0.00 0.00 0.00 174.94 175.40 1c8u s ILE 75 N -0.23 5.05 -0.23 2.92 1.09 -0.36 0.20 121.20 129.63 1c8u s ILE 75 Ca 0.02 0.06 -0.04 0.00 -1.10 0.00 0.00 60.65 59.59 1c8u s ILE 75 Cb -0.10 -3.29 -0.00 0.00 -1.06 0.00 0.00 42.46 38.00 1c8u s ILE 75 CO 0.01 0.44 -0.03 -0.31 -0.10 0.00 0.00 174.94 174.95 1c8u s TYR 76 N 0.45 2.99 -0.25 3.97 1.51 0.43 0.05 117.35 126.50 1c8u s TYR 76 Ca 0.05 -1.03 -0.05 0.00 -1.01 0.00 0.00 57.07 55.03 1c8u s TYR 76 Cb -0.12 -2.11 -0.00 0.00 -0.11 0.00 0.00 41.96 39.61 1c8u s TYR 76 CO -0.00 -0.58 0.02 0.34 -1.11 0.00 0.00 175.55 174.22 1c8u s ASP 77 N 1.46 4.73 -0.15 2.29 -1.08 -0.32 -0.62 116.67 122.98 1c8u s ASP 77 Ca 0.05 -0.51 -0.11 0.00 -0.52 0.00 0.00 52.55 51.46 1c8u s ASP 77 Cb -0.15 -1.81 -0.05 0.00 -1.46 0.00 0.00 42.92 39.45 1c8u s ASP 77 CO -0.03 -0.09 0.21 -0.69 0.52 0.00 0.00 175.17 175.09 1c8u s VAL 78 N 1.50 5.36 -0.11 1.11 1.01 0.41 -1.01 120.40 128.68 1c8u s VAL 78 Ca 0.04 0.37 0.01 0.00 0.00 0.00 0.00 61.98 62.40 1c8u s VAL 78 Cb -0.16 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 1c8u s VAL 78 CO -0.00 0.47 -0.13 -0.70 0.00 0.00 0.00 175.10 174.74 1c8u s GLU 79 N -0.00 3.12 -0.37 2.72 2.12 0.63 -4.85 118.70 122.07 1c8u s GLU 79 Ca 0.14 -0.68 -0.25 0.00 0.36 0.00 0.00 54.97 54.54 1c8u s GLU 79 Cb -0.12 -2.56 0.01 0.00 0.26 0.00 0.00 34.13 31.72 1c8u s GLU 79 CO 0.02 0.34 0.87 0.99 -0.54 0.00 0.00 175.26 176.95 1c8u s THR 80 N 0.01 4.64 -0.08 -1.70 2.01 -1.26 -1.41 115.64 117.84 1c8u s THR 80 Ca -0.04 1.06 -0.00 0.00 0.31 0.00 0.00 61.69 63.02 1c8u s THR 80 Cb -0.14 -4.29 -0.25 0.00 0.01 0.00 0.00 72.50 67.82 1c8u s THR 80 CO 0.04 -0.51 0.50 -0.07 -0.69 0.00 0.00 174.62 173.90 1c8u h LEU 81 N 9.96 0.28 -7.00 4.42 3.38 -1.50 -3.49 115.31 121.35 1c8u h LEU 81 Ca -0.24 -0.61 0.12 0.00 0.09 0.00 0.00 57.88 57.24 1c8u h LEU 81 Cb 1.08 -0.09 -0.23 0.00 0.09 0.00 0.00 40.66 41.51 1c8u h LEU 81 CO 0.96 1.54 0.63 -0.60 0.09 0.00 0.00 178.44 181.06 1c8u s ARG 82 N -2.58 0.49 -0.30 1.13 3.52 -1.07 -4.95 118.95 115.21 1c8u s ARG 82 Ca -0.15 0.10 -0.03 0.00 -0.13 0.00 0.00 55.73 55.52 1c8u s ARG 82 Cb 0.07 0.23 0.11 0.00 -1.56 0.00 0.00 34.95 33.81 1c8u s ARG 82 CO 0.80 -0.16 0.19 -0.51 -0.81 0.00 0.00 175.30 174.81 1c8u s ASP 83 N -1.16 2.92 0.06 -2.12 1.11 -1.26 -0.63 116.67 115.60 1c8u s ASP 83 Ca 0.01 -1.22 0.01 0.00 0.18 0.00 0.00 52.55 51.53 1c8u s ASP 83 Cb -0.01 -0.09 0.01 0.00 1.07 0.00 0.00 42.92 43.90 1c8u s ASP 83 CO -0.01 -0.41 0.07 0.61 1.18 0.00 0.00 175.17 176.62 1c8u n GLY 84 N 5.15 2.29 0.31 0.21 0.00 0.10 -4.98 105.19 108.27 1c8u n GLY 84 Ca -0.03 -2.15 0.19 0.00 0.00 0.00 0.00 46.02 44.03 1c8u n GLY 84 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1c8u h ASN 85 N 0.03 0.00 0.00 1.61 -0.26 -2.03 -3.36 115.58 111.57 1c8u h ASN 85 Ca -0.03 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.71 1c8u h ASN 85 Cb 0.14 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.40 1c8u h ASN 85 CO 0.05 0.02 -0.68 -1.20 -1.06 0.00 0.00 177.43 174.56 1c8u n SER 86 N -3.24 1.11 -4.66 5.81 7.64 -1.26 -5.05 113.62 113.97 1c8u n SER 86 Ca -0.02 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.54 1c8u n SER 86 Cb 0.16 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.27 1c8u n SER 86 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1c8u s PHE 87 N -1.87 3.00 -0.11 1.43 0.40 -1.26 -4.00 117.98 115.58 1c8u s PHE 87 Ca 0.00 0.02 0.03 0.00 -0.60 0.00 0.00 56.93 56.38 1c8u s PHE 87 Cb 0.00 -1.61 0.01 0.00 0.51 0.00 0.00 43.02 41.93 1c8u s PHE 87 CO 0.00 0.45 -0.20 -1.12 0.70 0.00 0.00 175.22 175.05 1c8u s SER 88 N -1.78 2.77 -0.04 1.36 0.01 -0.46 0.03 113.70 115.60 1c8u s SER 88 Ca 0.21 -0.51 0.07 0.00 1.31 0.00 0.00 55.95 57.03 1c8u s SER 88 Cb -0.11 -1.27 -0.02 0.00 0.21 0.00 0.00 66.02 64.83 1c8u s SER 88 CO 0.12 0.08 -0.24 0.00 0.41 0.00 0.00 173.24 173.62 1c8u s ALA 89 N 0.69 2.24 0.02 1.44 0.00 0.20 -0.01 121.76 126.34 1c8u s ALA 89 Ca -0.12 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 50.77 1c8u s ALA 89 Cb -0.16 -0.65 -0.02 0.00 0.00 0.00 0.00 23.12 22.29 1c8u s ALA 89 CO 0.02 0.50 -0.04 1.03 0.00 0.00 0.00 175.76 177.27 1c8u s ARG 90 N -0.50 0.34 -0.12 0.00 1.81 -0.28 -1.17 118.95 119.04 1c8u s ARG 90 Ca 0.06 -0.48 0.02 0.00 -1.72 0.00 0.00 55.73 53.61 1c8u s ARG 90 Cb -0.11 -0.11 -0.01 0.00 -0.45 0.00 0.00 34.95 34.27 1c8u s ARG 90 CO 0.01 0.01 -0.18 0.50 -0.68 0.00 0.00 175.30 174.96 1c8u s ARG 91 N -1.04 3.21 -0.14 3.54 3.52 -0.50 -0.32 118.95 127.22 1c8u s ARG 91 Ca -0.09 -0.78 -0.00 0.00 -0.13 0.00 0.00 55.73 54.73 1c8u s ARG 91 Cb -0.07 -2.48 -0.01 0.00 -1.56 0.00 0.00 34.95 30.83 1c8u s ARG 91 CO -0.00 0.18 -0.13 0.08 -0.81 0.00 0.00 175.30 174.61 1c8u s VAL 92 N 0.40 3.01 -0.19 7.11 1.01 0.24 -0.27 120.40 131.72 1c8u s VAL 92 Ca -0.14 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.10 1c8u s VAL 92 Cb -0.17 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.91 1c8u s VAL 92 CO 0.07 0.52 0.05 0.00 0.00 0.00 0.00 175.10 175.74 1c8u s ALA 93 N 0.45 3.34 -0.28 5.51 0.00 -0.18 -1.18 121.76 129.42 1c8u s ALA 93 Ca -0.10 -0.79 -0.10 0.00 0.00 0.00 0.00 51.96 50.97 1c8u s ALA 93 Cb -0.16 -1.91 -0.03 0.00 0.00 0.00 0.00 23.12 21.02 1c8u s ALA 93 CO 0.05 0.11 0.15 0.00 0.00 0.00 0.00 175.76 176.07 1c8u s ALA 94 N 0.50 3.37 -0.04 0.00 0.00 0.25 -1.17 121.76 124.68 1c8u s ALA 94 Ca 0.03 -1.19 0.07 0.00 0.00 0.00 0.00 51.96 50.87 1c8u s ALA 94 Cb -0.13 -2.36 -0.02 0.00 0.00 0.00 0.00 23.12 20.61 1c8u s ALA 94 CO 0.01 -0.64 -0.25 0.42 0.00 0.00 0.00 175.76 175.30 1c8u s ILE 95 N 1.69 2.14 -0.15 0.00 1.01 0.11 -0.18 121.20 125.82 1c8u s ILE 95 Ca 0.06 -1.06 -0.10 0.00 0.00 0.00 0.00 60.65 59.55 1c8u s ILE 95 Cb -0.16 -1.76 0.05 0.00 0.01 0.00 0.00 42.46 40.60 1c8u s ILE 95 CO 0.08 0.58 0.38 -1.10 0.00 0.00 0.00 174.94 174.87 1c8u s GLN 96 N -0.43 0.39 -1.37 2.79 -0.21 -0.78 -1.22 119.66 118.83 1c8u s GLN 96 Ca 0.05 0.65 -0.07 0.00 0.02 0.00 0.00 55.36 56.01 1c8u s GLN 96 Cb -0.12 0.06 0.03 0.00 1.00 0.00 0.00 33.01 33.98 1c8u s GLN 96 CO 0.01 -0.12 0.99 0.09 -2.12 0.00 0.00 175.29 174.14 1c8u n ASN 97 N 3.70 -3.97 -1.93 5.90 3.02 -1.26 -2.21 115.26 118.51 1c8u n ASN 97 Ca -0.19 -0.68 -0.21 0.00 -0.03 0.00 0.00 54.58 53.46 1c8u n ASN 97 Cb 0.56 -4.51 -0.06 0.00 -0.61 0.00 0.00 39.78 35.16 1c8u n ASN 97 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1c8u n GLY 98 N -1.66 0.97 3.03 7.41 0.00 -1.26 -4.97 105.19 108.71 1c8u n GLY 98 Ca -0.11 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 1c8u n GLY 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c8u s LYS 99 N -4.29 0.32 0.12 1.61 1.02 -0.94 -5.13 119.74 112.47 1c8u s LYS 99 Ca 0.00 -0.29 -0.30 0.00 0.02 0.00 0.00 55.97 55.40 1c8u s LYS 99 Cb 0.00 0.13 -0.07 0.00 -0.52 0.00 0.00 37.83 37.37 1c8u s LYS 99 CO 0.00 -0.07 1.19 -1.25 -0.92 0.00 0.00 175.35 174.30 1c8u s PRO 100 N -0.96 4.47 0.00 -1.68 0.04 -1.26 -1.86 135.00 133.75 1c8u s PRO 100 Ca -0.11 1.81 0.10 0.00 0.04 0.00 0.00 61.00 62.84 1c8u s PRO 100 Cb -0.06 -3.29 -0.09 0.00 0.04 0.00 0.00 34.50 31.09 1c8u s PRO 100 CO 0.00 -0.15 0.46 0.44 0.04 0.00 0.00 177.00 177.79 1c8u n ILE 101 N 3.18 0.00 -3.60 0.56 -5.35 0.75 -4.46 119.36 110.44 1c8u n ILE 101 Ca 0.06 -0.29 -0.10 0.00 -0.27 0.00 0.00 62.75 62.16 1c8u n ILE 101 Cb 0.46 1.02 -0.06 0.00 -1.74 0.00 0.00 39.64 39.32 1c8u n ILE 101 CO 0.00 0.00 0.00 0.12 -1.76 0.00 0.00 176.55 174.91 1c8u s PHE 102 N -1.85 -0.39 -0.02 4.28 5.36 -1.19 -1.28 117.98 122.90 1c8u s PHE 102 Ca 0.05 0.81 0.02 0.00 -0.96 0.00 0.00 56.93 56.85 1c8u s PHE 102 Cb 0.08 0.42 -0.00 0.00 -0.34 0.00 0.00 43.02 43.17 1c8u s PHE 102 CO 0.38 -0.28 -0.08 0.71 -1.46 0.00 0.00 175.22 174.49 1c8u s TYR 103 N -0.55 0.79 -0.01 10.12 1.51 -0.76 -0.58 117.35 127.86 1c8u s TYR 103 Ca 0.01 -0.17 0.02 0.00 -1.01 0.00 0.00 57.07 55.91 1c8u s TYR 103 Cb -0.02 -0.54 0.00 0.00 -0.11 0.00 0.00 41.96 41.29 1c8u s TYR 103 CO -0.02 -0.05 -0.05 1.41 -1.11 0.00 0.00 175.55 175.72 1c8u s MET 104 N 0.02 0.52 -0.14 -0.62 1.75 -0.33 -1.45 119.30 119.05 1c8u s MET 104 Ca -0.00 -0.18 0.02 0.00 -1.25 0.00 0.00 55.69 54.28 1c8u s MET 104 Cb -0.06 -0.52 0.01 0.00 2.84 0.00 0.00 34.83 37.10 1c8u s MET 104 CO -0.00 0.08 -0.21 0.99 -0.65 0.00 0.00 175.02 175.23 1c8u s THR 105 N 0.08 2.01 0.09 10.11 2.01 0.03 0.83 115.64 130.79 1c8u s THR 105 Ca -0.01 -0.94 0.09 0.00 0.31 0.00 0.00 61.69 61.14 1c8u s THR 105 Cb -0.05 -1.79 -0.03 0.00 0.01 0.00 0.00 72.50 70.64 1c8u s THR 105 CO -0.00 0.54 -0.23 0.00 -0.69 0.00 0.00 174.62 174.24 1c8u s ALA 106 N 0.91 2.00 -0.04 7.40 0.00 0.56 -0.99 121.76 131.60 1c8u s ALA 106 Ca -0.05 -1.27 0.06 0.00 0.00 0.00 0.00 51.96 50.70 1c8u s ALA 106 Cb -0.15 -0.33 -0.02 0.00 0.00 0.00 0.00 23.12 22.62 1c8u s ALA 106 CO -0.04 0.44 -0.22 0.45 0.00 0.00 0.00 175.76 176.38 1c8u s SER 107 N -1.72 3.34 0.04 0.00 0.15 0.01 -1.12 113.70 114.40 1c8u s SER 107 Ca 0.09 -0.40 0.08 0.00 0.70 0.00 0.00 55.95 56.42 1c8u s SER 107 Cb -0.10 -0.61 -0.03 0.00 -1.71 0.00 0.00 66.02 63.58 1c8u s SER 107 CO 0.04 0.31 -0.22 -0.36 1.20 0.00 0.00 173.24 174.21 1c8u s PHE 108 N -0.52 1.94 0.00 3.44 0.40 0.99 -1.02 117.98 123.21 1c8u s PHE 108 Ca 0.07 -0.38 -0.09 0.00 -0.60 0.00 0.00 56.93 55.93 1c8u s PHE 108 Cb -0.11 -1.16 0.01 0.00 0.51 0.00 0.00 43.02 42.27 1c8u s PHE 108 CO 0.01 0.09 0.17 -1.14 0.70 0.00 0.00 175.22 175.05 1c8u s GLN 109 N -1.16 0.54 0.54 0.44 0.74 -0.33 -1.35 119.66 119.08 1c8u s GLN 109 Ca 0.08 -0.39 -0.15 0.00 0.05 0.00 0.00 55.36 54.95 1c8u s GLN 109 Cb -0.09 0.23 -0.07 0.00 1.10 0.00 0.00 33.01 34.18 1c8u s GLN 109 CO 0.02 -0.14 1.00 0.00 -0.55 0.00 0.00 175.29 175.62 1c8u s ALA 110 N -1.51 3.06 0.28 1.58 0.00 -1.26 -1.01 121.76 122.90 1c8u s ALA 110 Ca -0.14 0.12 -0.30 0.00 0.00 0.00 0.00 51.96 51.64 1c8u s ALA 110 Cb -0.06 -3.11 -0.12 0.00 0.00 0.00 0.00 23.12 19.82 1c8u s ALA 110 CO 0.02 -0.37 1.50 -2.30 0.00 0.00 0.00 175.76 174.61 1c8u n PRO 111 N -1.89 2.41 -3.59 0.00 -0.02 -1.26 -4.94 135.00 125.71 1c8u n PRO 111 Ca 0.06 0.86 -0.16 0.00 -2.02 0.00 0.00 63.50 62.24 1c8u n PRO 111 Cb 0.54 -2.58 -0.07 0.00 -0.02 0.00 0.00 33.50 31.37 1c8u n PRO 111 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1c8u s GLU 112 N -0.58 0.92 0.25 -0.52 2.12 -1.26 -5.16 118.70 114.47 1c8u s GLU 112 Ca 0.65 0.60 -0.18 0.00 0.36 0.00 0.00 54.97 56.40 1c8u s GLU 112 Cb -0.56 0.44 -0.08 0.00 0.26 0.00 0.00 34.13 34.19 1c8u s GLU 112 CO 0.50 -0.21 0.71 0.00 -0.54 0.00 0.00 175.26 175.73 1c8u s ALA 113 N -0.41 3.40 0.00 6.30 0.00 -1.26 -5.04 121.76 124.75 1c8u s ALA 113 Ca -0.06 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.00 1c8u s ALA 113 Cb -0.03 -2.77 0.00 0.00 0.00 0.00 0.00 23.12 20.32 1c8u s ALA 113 CO 0.05 0.34 0.00 0.41 0.00 0.00 0.00 175.76 176.56 1c8u n GLY 114 N 0.35 1.96 3.73 0.00 0.00 -1.26 -5.13 105.19 104.84 1c8u n GLY 114 Ca -0.01 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 44.82 1c8u n GLY 114 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1c8u n PHE 115 N 0.00 2.64 -4.64 1.61 3.01 -1.26 -4.99 117.46 113.82 1c8u n PHE 115 Ca 0.00 0.37 -0.27 0.00 1.01 0.00 0.00 57.45 58.56 1c8u n PHE 115 Cb 0.00 -2.53 -0.17 0.00 -0.01 0.00 0.00 39.48 36.77 1c8u n PHE 115 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1c8u s GLU 116 N -0.95 2.07 -0.08 -1.08 0.41 -1.26 -5.11 118.70 112.70 1c8u s GLU 116 Ca 0.62 -0.53 -0.30 0.00 -0.41 0.00 0.00 54.97 54.35 1c8u s GLU 116 Cb -0.54 -1.70 0.11 0.00 -1.78 0.00 0.00 34.13 30.22 1c8u s GLU 116 CO 0.53 0.02 0.91 -3.38 -0.49 0.00 0.00 175.26 172.85 1c8u s HIS 117 N 0.73 -0.41 0.05 1.61 -3.43 -1.26 -5.19 115.29 107.39 1c8u s HIS 117 Ca -0.13 0.55 -0.25 0.00 -0.80 0.00 0.00 55.06 54.44 1c8u s HIS 117 Cb -0.16 0.48 0.06 0.00 -1.43 0.00 0.00 32.58 31.53 1c8u s HIS 117 CO 0.03 -0.46 0.57 1.14 -2.00 0.00 0.00 174.74 174.02 1c8u s GLN 118 N -1.89 1.09 0.50 -0.38 -2.07 -1.26 -5.11 119.66 110.54 1c8u s GLN 118 Ca -0.01 -0.17 -0.22 0.00 -1.82 0.00 0.00 55.36 53.15 1c8u s GLN 118 Cb -0.01 0.50 -0.06 0.00 -1.09 0.00 0.00 33.01 32.35 1c8u s GLN 118 CO -0.01 -0.40 1.20 0.21 -1.32 0.00 0.00 175.29 174.97 1c8u s LYS 119 N -2.41 3.49 0.13 9.60 2.20 -1.26 -4.97 119.74 126.52 1c8u s LYS 119 Ca -0.05 1.84 -0.30 0.00 -0.36 0.00 0.00 55.97 57.10 1c8u s LYS 119 Cb -0.01 -2.27 -0.07 0.00 -1.51 0.00 0.00 37.83 33.98 1c8u s LYS 119 CO -0.01 -0.79 1.11 0.99 -0.36 0.00 0.00 175.35 176.29 1c8u s THR 120 N -1.54 4.01 0.21 3.43 2.01 -1.26 -4.82 115.64 117.68 1c8u s THR 120 Ca 0.68 1.62 -0.32 0.00 0.31 0.00 0.00 61.69 63.97 1c8u s THR 120 Cb -0.30 -4.03 -0.14 0.00 0.01 0.00 0.00 72.50 68.04 1c8u s THR 120 CO 0.36 0.22 1.49 0.80 -0.69 0.00 0.00 174.62 176.80 1c8u n MET 121 N 2.93 2.10 -1.66 4.92 1.56 -1.26 -4.95 117.12 120.76 1c8u n MET 121 Ca 0.05 0.75 -0.34 0.00 -0.27 0.00 0.00 57.70 57.89 1c8u n MET 121 Cb 0.47 -2.46 0.06 0.00 2.15 0.00 0.00 33.22 33.43 1c8u n MET 121 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 1c8u s PRO 122 N 0.17 2.59 0.32 2.12 0.04 -1.26 -4.95 135.00 134.03 1c8u s PRO 122 Ca 0.73 1.54 -0.28 0.00 0.04 0.00 0.00 61.00 63.02 1c8u s PRO 122 Cb -0.66 -1.91 -0.10 0.00 0.04 0.00 0.00 34.50 31.88 1c8u s PRO 122 CO 0.44 -1.44 1.16 -1.54 0.04 0.00 0.00 177.00 175.66 1c8u s SER 123 N -2.34 6.99 -0.12 6.66 1.04 -1.26 -5.02 113.70 119.65 1c8u s SER 123 Ca 0.70 2.37 -0.27 0.00 0.48 0.00 0.00 55.95 59.23 1c8u s SER 123 Cb -0.24 -2.63 0.07 0.00 0.10 0.00 0.00 66.02 63.32 1c8u s SER 123 CO 0.42 -0.35 0.65 0.00 0.98 0.00 0.00 173.24 174.94 1c8u s ALA 124 N -1.23 -1.67 0.56 5.32 0.00 -1.26 -5.15 121.76 118.33 1c8u s ALA 124 Ca 0.49 1.47 -0.19 0.00 0.00 0.00 0.00 51.96 53.73 1c8u s ALA 124 Cb -0.33 -0.41 -0.05 0.00 0.00 0.00 0.00 23.12 22.33 1c8u s ALA 124 CO 0.43 -0.34 1.13 -1.25 0.00 0.00 0.00 175.76 175.72 1c8u s PRO 125 N -0.62 3.24 0.73 0.00 0.04 -1.26 -4.98 135.00 132.15 1c8u s PRO 125 Ca -0.07 1.59 -0.15 0.00 0.04 0.00 0.00 61.00 62.41 1c8u s PRO 125 Cb -0.02 -1.99 0.04 0.00 0.04 0.00 0.00 34.50 32.57 1c8u s PRO 125 CO 0.06 -0.93 1.21 0.00 0.04 0.00 0.00 177.00 177.38 1c8u s ALA 126 N -1.85 2.11 0.30 8.56 0.00 -1.26 -4.92 121.76 124.69 1c8u s ALA 126 Ca 0.72 0.89 0.20 0.00 0.00 0.00 0.00 51.96 53.77 1c8u s ALA 126 Cb -0.24 -3.48 0.94 0.00 0.00 0.00 0.00 23.12 20.35 1c8u s ALA 126 CO 0.30 -1.90 1.87 -1.00 0.00 0.00 0.00 175.76 175.03 1c8u h PRO 127 N -0.30 0.00 -0.96 0.00 0.13 -1.95 -3.28 132.00 125.63 1c8u h PRO 127 Ca -0.48 0.00 0.25 0.00 -0.87 0.00 0.00 66.00 64.90 1c8u h PRO 127 Cb 1.30 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.30 1c8u h PRO 127 CO 0.50 0.29 0.51 -0.44 -0.23 0.00 0.00 178.00 178.62 1c8u h ASP 128 N 0.00 0.50 -0.41 1.44 3.45 -2.01 -0.93 116.42 118.46 1c8u h ASP 128 Ca -0.00 0.16 0.00 0.00 0.43 0.00 0.00 57.03 57.61 1c8u h ASP 128 Cb 0.65 0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.52 1c8u h ASP 128 CO 0.04 0.01 0.00 0.61 -1.57 0.00 0.00 179.24 178.33 1c8u n GLY 129 N -1.32 2.30 3.29 2.75 0.00 -1.24 -4.92 105.19 106.04 1c8u n GLY 129 Ca 0.26 -0.61 -0.29 0.00 0.00 0.00 0.00 46.02 45.38 1c8u n GLY 129 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1c8u s LEU 130 N -1.71 2.09 0.59 0.99 1.43 -0.36 -5.11 118.68 116.60 1c8u s LEU 130 Ca 0.36 -0.48 -0.16 0.00 -1.03 0.00 0.00 54.13 52.82 1c8u s LEU 130 Cb 0.26 -1.20 -0.04 0.00 0.03 0.00 0.00 46.19 45.24 1c8u s LEU 130 CO 0.13 0.27 1.05 -2.16 0.23 0.00 0.00 176.35 175.87 1c8u s PRO 131 N -0.82 3.36 0.52 1.29 0.04 -1.26 -4.95 135.00 133.18 1c8u s PRO 131 Ca 0.10 1.18 -0.04 0.00 0.04 0.00 0.00 61.00 62.28 1c8u s PRO 131 Cb -0.09 -2.04 -0.01 0.00 0.04 0.00 0.00 34.50 32.40 1c8u s PRO 131 CO 0.00 -0.78 0.81 -1.54 0.04 0.00 0.00 177.00 175.53 1c8u s SER 132 N -2.82 5.89 0.46 6.66 1.04 -1.26 -4.05 113.70 119.62 1c8u s SER 132 Ca 0.63 0.69 0.20 0.00 0.48 0.00 0.00 55.95 57.96 1c8u s SER 132 Cb -0.16 -1.86 1.13 0.00 0.10 0.00 0.00 66.02 65.23 1c8u s SER 132 CO 0.37 -0.80 1.98 -0.33 0.98 0.00 0.00 173.24 175.43 1c8u h GLU 133 N 0.10 0.00 -0.53 4.02 5.08 -0.67 -1.69 114.58 120.89 1c8u h GLU 133 Ca -0.46 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 57.80 1c8u h GLU 133 Cb 1.24 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 1c8u h GLU 133 CO 0.60 0.20 -0.07 1.79 -1.00 0.00 0.00 179.01 180.54 1c8u h THR 134 N 0.00 1.26 -0.30 1.13 1.35 -1.91 0.09 112.91 114.53 1c8u h THR 134 Ca -0.00 -1.19 -0.04 0.00 -0.55 0.00 0.00 66.41 64.63 1c8u h THR 134 Cb 0.43 0.92 -0.01 0.00 -1.73 0.00 0.00 68.15 67.77 1c8u h THR 134 CO 0.03 0.42 0.03 1.56 -0.25 0.00 0.00 175.52 177.30 1c8u h GLN 135 N 0.87 0.51 -0.63 4.72 4.20 -1.73 -0.92 115.11 122.13 1c8u h GLN 135 Ca 0.15 -0.15 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 1c8u h GLN 135 Cb 0.60 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.30 1c8u h GLN 135 CO 0.04 0.63 0.36 0.82 -0.67 0.00 0.00 178.83 180.01 1c8u h ILE 136 N 0.32 1.19 -0.34 2.54 2.04 -1.17 0.36 117.51 122.45 1c8u h ILE 136 Ca 0.09 -0.45 -0.05 0.00 1.00 0.00 0.00 64.86 65.44 1c8u h ILE 136 Cb 0.38 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1c8u h ILE 136 CO 0.01 0.20 0.01 0.00 0.00 0.00 0.00 178.15 178.37 1c8u h ALA 137 N 1.18 0.46 -0.06 1.87 0.00 -0.88 -0.66 119.26 121.17 1c8u h ALA 137 Ca 0.22 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1c8u h ALA 137 Cb 0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1c8u h ALA 137 CO -0.04 0.21 -0.18 1.96 0.00 0.00 0.00 179.25 181.20 1c8u h GLN 138 N 0.41 0.09 -0.10 0.00 4.20 -0.90 0.93 115.11 119.73 1c8u h GLN 138 Ca 0.10 -0.02 -0.22 0.00 0.06 0.00 0.00 58.65 58.56 1c8u h GLN 138 Cb 0.43 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.21 1c8u h GLN 138 CO 0.02 0.28 -0.82 0.66 -0.67 0.00 0.00 178.83 178.29 1c8u h SER 139 N 0.09 0.81 0.95 1.46 4.64 -0.54 -3.07 113.55 117.88 1c8u h SER 139 Ca 0.02 -0.56 -0.04 0.00 -0.47 0.00 0.00 61.79 60.74 1c8u h SER 139 Cb 0.38 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.22 1c8u h SER 139 CO 0.03 1.34 -0.20 -0.07 -0.87 0.00 0.00 176.83 177.06 1c8u h LEU 140 N 0.44 0.00 -1.29 5.97 3.38 -0.45 -2.82 115.31 120.54 1c8u h LEU 140 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1c8u h LEU 140 Cb 1.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.19 1c8u h LEU 140 CO 0.16 0.20 0.00 0.00 0.09 0.00 0.00 178.44 178.89 1c8u h ALA 141 N 1.80 1.00 0.00 1.53 0.00 -0.74 -0.85 119.26 122.01 1c8u h ALA 141 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1c8u h ALA 141 Cb 0.73 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1c8u h ALA 141 CO 0.03 0.00 0.00 0.72 0.00 0.00 0.00 179.25 180.00 1c8u n HIS 142 N -2.63 0.00 0.49 0.00 8.25 -1.06 -1.06 115.22 119.21 1c8u n HIS 142 Ca 0.01 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.59 1c8u n HIS 142 Cb 0.22 -0.45 0.24 0.00 1.12 0.00 0.00 29.99 31.11 1c8u n HIS 142 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1c8u h LEU 143 N 0.00 0.00-10.11 2.41 3.38 -1.35 -3.46 115.31 106.17 1c8u h LEU 143 Ca 0.00 -0.08 -0.50 0.00 0.09 0.00 0.00 57.88 57.38 1c8u h LEU 143 Cb 0.22 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1c8u h LEU 143 CO 0.00 0.04 0.05 -0.76 0.09 0.00 0.00 178.44 177.86 1c8u s LEU 144 N -4.74 3.93 0.58 1.67 1.43 -0.23 -5.07 118.68 116.25 1c8u s LEU 144 Ca 0.07 1.05 -0.15 0.00 -1.03 0.00 0.00 54.13 54.07 1c8u s LEU 144 Cb 0.11 -3.90 -0.04 0.00 0.03 0.00 0.00 46.19 42.39 1c8u s LEU 144 CO 0.68 -0.31 1.03 -2.16 0.23 0.00 0.00 176.35 175.82 1c8u s PRO 145 N -3.60 3.48 0.33 1.29 0.04 -1.26 -4.63 135.00 130.65 1c8u s PRO 145 Ca 0.50 1.08 0.11 0.00 0.04 0.00 0.00 61.00 62.73 1c8u s PRO 145 Cb -0.10 -2.06 0.99 0.00 0.04 0.00 0.00 34.50 33.36 1c8u s PRO 145 CO 0.28 -0.67 1.65 -1.35 0.04 0.00 0.00 177.00 176.96 1c8u h PRO 146 N 0.43 0.24 -1.00 0.56 0.11 -1.97 0.14 132.00 130.52 1c8u h PRO 146 Ca -0.46 -0.01 0.16 0.00 0.11 0.00 0.00 66.00 65.79 1c8u h PRO 146 Cb 1.21 -0.05 -0.10 0.00 0.11 0.00 0.00 31.00 32.16 1c8u h PRO 146 CO 0.59 0.16 0.61 0.28 -0.21 0.00 0.00 178.00 179.43 1c8u h VAL 147 N 0.25 0.79 0.07 3.15 2.07 -1.92 -2.77 116.25 117.89 1c8u h VAL 147 Ca 0.69 -0.29 -0.37 0.00 0.82 0.00 0.00 66.70 67.55 1c8u h VAL 147 Cb 1.54 -0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 1c8u h VAL 147 CO -0.65 0.16 -2.11 0.18 0.02 0.00 0.00 177.57 175.16 1c8u n LEU 148 N -4.71 2.64 -0.32 2.57 4.77 -0.13 -4.19 117.00 117.61 1c8u n LEU 148 Ca 0.21 0.13 0.22 0.00 -0.03 0.00 0.00 56.01 56.54 1c8u n LEU 148 Cb 0.48 -1.03 0.43 0.00 -2.33 0.00 0.00 43.42 40.98 1c8u n LEU 148 CO 0.24 0.81 1.05 0.50 -1.33 0.00 0.00 177.39 178.66 1c8u h LYS 149 N -0.11 0.23 -5.00 3.23 3.64 -1.03 -3.25 116.57 114.29 1c8u h LYS 149 Ca -0.48 -0.01 -0.66 0.00 -1.27 0.00 0.00 60.65 58.22 1c8u h LYS 149 Cb 1.90 -0.05 -0.17 0.00 -0.41 0.00 0.00 32.23 33.50 1c8u h LYS 149 CO -0.02 0.15 -0.25 -0.51 -2.27 0.00 0.00 179.45 176.55 1c8u s ASP 150 N -4.91 6.20 0.00 4.20 1.11 -1.05 -3.51 116.67 118.71 1c8u s ASP 150 Ca -0.11 -0.18 0.00 0.00 0.18 0.00 0.00 52.55 52.44 1c8u s ASP 150 Cb 0.30 -2.21 0.00 0.00 1.07 0.00 0.00 42.92 42.08 1c8u s ASP 150 CO 0.78 -0.36 0.00 1.17 1.18 0.00 0.00 175.17 177.95 1c8u n LYS 151 N 5.44 0.00 -0.77 8.23 4.81 -1.25 -4.90 118.16 129.72 1c8u n LYS 151 Ca -0.08 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.07 1c8u n LYS 151 Cb 0.49 0.00 0.22 0.00 0.02 0.00 0.00 35.03 35.76 1c8u n LYS 151 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 1c8u s PHE 152 N 0.00 1.64 0.00 5.64 5.36 -1.22 -5.01 117.98 124.39 1c8u s PHE 152 Ca 0.00 1.19 0.00 0.00 -0.96 0.00 0.00 56.93 57.16 1c8u s PHE 152 Cb 0.00 -3.16 0.00 0.00 -0.34 0.00 0.00 43.02 39.52 1c8u s PHE 152 CO 0.00 -3.42 0.00 -0.89 -1.46 0.00 0.00 175.22 169.45 1c8u n ILE 153 N -4.60 0.00 -3.68 3.12 5.41 -1.26 -5.02 119.36 113.33 1c8u n ILE 153 Ca 0.05 0.00 -0.38 0.00 1.00 0.00 0.00 62.75 63.41 1c8u n ILE 153 Cb 0.55 0.00 -0.10 0.00 -0.71 0.00 0.00 39.64 39.38 1c8u n ILE 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1c8u s ASP 155 N 2.08 6.16 0.16 0.00 2.15 -1.26 -4.91 116.67 121.04 1c8u s ASP 155 Ca 0.08 -1.02 0.07 0.00 0.43 0.00 0.00 52.55 52.11 1c8u s ASP 155 Cb -0.24 -2.20 -0.04 0.00 -0.30 0.00 0.00 42.92 40.14 1c8u s ASP 155 CO -0.03 -0.61 -0.01 -0.13 -0.17 0.00 0.00 175.17 174.23 1c8u s ARG 156 N 1.87 2.39 0.47 4.34 0.52 -1.26 -4.83 118.95 122.45 1c8u s ARG 156 Ca 0.07 -1.07 0.27 0.00 -0.52 0.00 0.00 55.73 54.48 1c8u s ARG 156 Cb -0.21 -2.37 0.79 0.00 0.52 0.00 0.00 34.95 33.68 1c8u s ARG 156 CO 0.10 0.47 1.77 -1.00 0.02 0.00 0.00 175.30 176.65 1c8u h PRO 157 N 2.86 0.00 -5.83 3.54 0.13 -1.88 -3.40 132.00 127.42 1c8u h PRO 157 Ca -0.47 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.14 1c8u h PRO 157 Cb 1.20 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.18 1c8u h PRO 157 CO 0.58 0.07 -0.75 -0.51 -0.23 0.00 0.00 178.00 177.16 1c8u s LEU 158 N -6.30 2.56 -0.11 1.56 1.43 -1.26 -0.46 118.68 116.10 1c8u s LEU 158 Ca 0.04 -1.01 0.02 0.00 -1.03 0.00 0.00 54.13 52.15 1c8u s LEU 158 Cb 0.07 -0.84 -0.01 0.00 0.03 0.00 0.00 46.19 45.45 1c8u s LEU 158 CO 0.62 -0.08 -0.19 -0.70 0.23 0.00 0.00 176.35 176.23 1c8u s GLU 159 N -3.53 3.19 -0.09 1.70 2.12 0.03 -4.67 118.70 117.45 1c8u s GLU 159 Ca 0.25 -0.80 0.02 0.00 0.36 0.00 0.00 54.97 54.80 1c8u s GLU 159 Cb -0.03 -2.45 0.01 0.00 0.26 0.00 0.00 34.13 31.93 1c8u s GLU 159 CO 0.10 0.18 -0.15 0.08 -0.54 0.00 0.00 175.26 174.93 1c8u s VAL 160 N 0.37 1.39 -0.33 3.70 1.01 -1.26 -2.36 120.40 122.92 1c8u s VAL 160 Ca -0.15 -0.60 0.03 0.00 0.00 0.00 0.00 61.98 61.26 1c8u s VAL 160 Cb -0.17 -1.27 0.10 0.00 0.00 0.00 0.00 36.38 35.04 1c8u s VAL 160 CO 0.07 0.42 0.06 -0.13 0.00 0.00 0.00 175.10 175.51 1c8u s ARG 161 N 0.82 1.32 0.41 2.72 0.52 0.14 0.18 118.95 125.06 1c8u s ARG 161 Ca -0.11 -1.68 -0.24 0.00 -0.52 0.00 0.00 55.73 53.19 1c8u s ARG 161 Cb -0.16 -2.92 -0.09 0.00 0.52 0.00 0.00 34.95 32.31 1c8u s ARG 161 CO 0.01 -0.94 1.05 -1.25 0.02 0.00 0.00 175.30 174.20 1c8u s PRO 162 N 1.07 4.12 0.04 3.54 0.04 -1.26 -1.02 135.00 141.53 1c8u s PRO 162 Ca 0.10 1.50 -0.20 0.00 0.04 0.00 0.00 61.00 62.45 1c8u s PRO 162 Cb -0.19 -2.49 -0.16 0.00 0.04 0.00 0.00 34.50 31.70 1c8u s PRO 162 CO -0.12 -0.18 1.28 0.28 0.04 0.00 0.00 177.00 178.30 1c8u h VAL 163 N 2.12 1.37 -3.36 -0.36 2.07 -1.32 -3.43 116.25 113.35 1c8u h VAL 163 Ca -0.48 -1.53 -0.56 0.00 0.82 0.00 0.00 66.70 64.94 1c8u h VAL 163 Cb 1.22 2.04 -0.34 0.00 -1.52 0.00 0.00 31.29 32.69 1c8u h VAL 163 CO 0.62 0.45 -0.83 -0.70 0.02 0.00 0.00 177.57 177.13 1c8u s GLU 164 N -4.00 2.02 -0.13 1.57 2.12 -1.26 -5.09 118.70 113.93 1c8u s GLU 164 Ca -0.14 -0.51 -0.21 0.00 0.36 0.00 0.00 54.97 54.47 1c8u s GLU 164 Cb 0.05 -1.67 -0.03 0.00 0.26 0.00 0.00 34.13 32.74 1c8u s GLU 164 CO 0.78 0.01 0.61 0.12 -0.54 0.00 0.00 175.26 176.24 1c8u s PHE 165 N 0.75 3.48 -0.40 5.30 5.36 -1.26 -4.90 117.98 126.30 1c8u s PHE 165 Ca -0.12 1.02 -0.04 0.00 -0.96 0.00 0.00 56.93 56.82 1c8u s PHE 165 Cb -0.16 -2.73 0.10 0.00 -0.34 0.00 0.00 43.02 39.89 1c8u s PHE 165 CO 0.03 0.00 0.20 -1.01 -1.46 0.00 0.00 175.22 172.98 1c8u s HIS 166 N 1.21 3.51 -0.14 10.12 3.76 -1.26 -5.03 115.29 127.46 1c8u s HIS 166 Ca 0.31 -2.20 -0.29 0.00 -0.15 0.00 0.00 55.06 52.72 1c8u s HIS 166 Cb -0.16 -3.09 -0.04 0.00 1.11 0.00 0.00 32.58 30.39 1c8u s HIS 166 CO 0.13 -0.94 1.66 1.21 -0.85 0.00 0.00 174.74 175.94 1c8u s ASN 167 N 1.87 6.49 0.53 1.40 3.84 -1.26 -4.86 114.94 122.95 1c8u s ASN 167 Ca 0.06 1.95 0.36 0.00 0.21 0.00 0.00 52.86 55.43 1c8u s ASN 167 Cb -0.23 -2.53 1.81 0.00 -0.55 0.00 0.00 41.25 39.75 1c8u s ASN 167 CO -0.03 -1.12 2.08 1.55 -2.79 0.00 0.00 177.10 176.80 1c8u h PRO 168 N 10.29 0.00 0.00 0.43 0.13 -1.96 0.13 132.00 141.02 1c8u h PRO 168 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 1c8u h PRO 168 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1c8u h PRO 168 CO 0.97 0.00 -0.72 -0.07 -0.23 0.00 0.00 178.00 177.95 1c8u h LEU 169 N 0.00 0.00 0.00 1.56 3.38 -1.89 0.67 115.31 119.03 1c8u h LEU 169 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1c8u h LEU 169 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1c8u h LEU 169 CO 0.00 0.01 0.00 2.29 0.09 0.00 0.00 178.44 180.83 1c8u n LYS 170 N -2.73 0.00 -0.24 1.13 2.85 -0.77 -4.56 118.16 113.84 1c8u n LYS 170 Ca 0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 1c8u n LYS 170 Cb 0.53 -0.33 0.00 0.00 -0.65 0.00 0.00 35.03 34.58 1c8u n LYS 170 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1c8u n GLY 171 N 2.99 -3.28 3.10 2.58 0.00 0.37 -3.43 105.19 107.52 1c8u n GLY 171 Ca 0.00 -1.07 -0.12 0.00 0.00 0.00 0.00 46.02 44.83 1c8u n GLY 171 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1c8u s HIS 172 N -2.03 0.75 0.25 1.61 -3.43 -1.25 -4.66 115.29 106.53 1c8u s HIS 172 Ca 0.00 -0.66 -0.30 0.00 -0.80 0.00 0.00 55.06 53.30 1c8u s HIS 172 Cb 0.00 -0.45 -0.10 0.00 -1.43 0.00 0.00 32.58 30.60 1c8u s HIS 172 CO 0.00 -0.11 1.44 0.08 -2.00 0.00 0.00 174.74 174.14 1c8u s VAL 173 N -2.25 2.67 0.03 -5.38 1.01 -1.26 -4.17 120.40 111.05 1c8u s VAL 173 Ca -0.02 0.57 -0.28 0.00 0.00 0.00 0.00 61.98 62.25 1c8u s VAL 173 Cb -0.04 -3.36 0.10 0.00 0.00 0.00 0.00 36.38 33.07 1c8u s VAL 173 CO -0.02 0.09 0.84 0.00 0.00 0.00 0.00 175.10 176.01 1c8u s ALA 174 N 0.01 -1.78 0.62 5.51 0.00 -0.30 -4.94 121.76 120.88 1c8u s ALA 174 Ca 0.59 0.90 -0.18 0.00 0.00 0.00 0.00 51.96 53.27 1c8u s ALA 174 Cb -0.42 0.50 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 1c8u s ALA 174 CO 0.43 -0.71 1.16 0.39 0.00 0.00 0.00 175.76 177.03 1c8u n GLU 175 N -0.27 1.06 -1.08 0.00 -0.58 -1.26 -2.29 120.64 116.22 1c8u n GLU 175 Ca -0.10 0.41 -0.32 0.00 -0.42 0.00 0.00 57.16 56.74 1c8u n GLU 175 Cb 0.62 -2.39 -0.03 0.00 -0.57 0.00 0.00 31.44 29.08 1c8u n GLU 175 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 1c8u n PRO 176 N -1.48 3.04 -3.86 3.49 -0.04 -1.26 -4.71 135.00 130.17 1c8u n PRO 176 Ca 0.15 -1.88 -0.12 0.00 -0.04 0.00 0.00 63.50 61.61 1c8u n PRO 176 Cb 0.47 -2.64 -0.12 0.00 -0.04 0.00 0.00 33.50 31.17 1c8u n PRO 176 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1c8u s HIS 177 N 2.61 -0.03 -0.06 0.54 3.76 -1.26 -1.20 115.29 119.65 1c8u s HIS 177 Ca 0.58 0.08 -0.14 0.00 -0.15 0.00 0.00 55.06 55.43 1c8u s HIS 177 Cb 0.15 -0.01 0.03 0.00 1.11 0.00 0.00 32.58 33.86 1c8u s HIS 177 CO -0.05 -0.12 0.32 0.50 -0.85 0.00 0.00 174.74 174.55 1c8u s ARG 178 N -0.43 0.57 -0.05 1.40 3.52 0.21 -4.99 118.95 119.17 1c8u s ARG 178 Ca -0.05 0.06 0.01 0.00 -0.13 0.00 0.00 55.73 55.62 1c8u s ARG 178 Cb -0.03 0.26 0.02 0.00 -1.56 0.00 0.00 34.95 33.64 1c8u s ARG 178 CO 0.00 -0.13 -0.05 -0.65 -0.81 0.00 0.00 175.30 173.66 1c8u s GLN 179 N -0.75 0.89 0.03 5.12 -0.21 -1.26 -0.35 119.66 123.12 1c8u s GLN 179 Ca -0.08 -0.11 0.02 0.00 0.02 0.00 0.00 55.36 55.21 1c8u s GLN 179 Cb -0.04 -0.92 -0.02 0.00 1.00 0.00 0.00 33.01 33.03 1c8u s GLN 179 CO 0.03 -0.10 -0.06 0.14 -2.12 0.00 0.00 175.29 173.17 1c8u s VAL 180 N 1.04 0.44 -0.17 1.09 -7.23 -1.05 -0.74 120.40 113.79 1c8u s VAL 180 Ca -0.09 -0.83 -0.07 0.00 -1.81 0.00 0.00 61.98 59.17 1c8u s VAL 180 Cb -0.14 -0.49 -0.04 0.00 0.56 0.00 0.00 36.38 36.27 1c8u s VAL 180 CO -0.01 -0.27 0.08 0.26 -0.31 0.00 0.00 175.10 174.85 1c8u s TRP 181 N -1.06 3.33 0.06 2.82 0.52 -0.19 -0.47 118.94 123.95 1c8u s TRP 181 Ca -0.08 0.22 0.05 0.00 0.02 0.00 0.00 56.10 56.31 1c8u s TRP 181 Cb -0.08 -2.05 -0.03 0.00 -1.15 0.00 0.00 33.47 30.17 1c8u s TRP 181 CO 0.00 0.31 -0.14 0.42 0.02 0.00 0.00 176.95 177.56 1c8u s ILE 182 N 0.03 1.12 0.13 2.03 1.01 0.18 -0.68 121.20 125.01 1c8u s ILE 182 Ca 0.07 -1.19 -0.24 0.00 0.00 0.00 0.00 60.65 59.29 1c8u s ILE 182 Cb -0.12 -1.05 0.08 0.00 0.01 0.00 0.00 42.46 41.38 1c8u s ILE 182 CO 0.00 -0.13 0.65 0.00 0.00 0.00 0.00 174.94 175.46 1c8u s ARG 183 N -1.50 1.20 0.34 2.79 1.70 -1.00 -1.20 118.95 121.29 1c8u s ARG 183 Ca -0.01 -0.42 -0.27 0.00 -0.47 0.00 0.00 55.73 54.56 1c8u s ARG 183 Cb -0.09 0.55 -0.09 0.00 -0.57 0.00 0.00 34.95 34.75 1c8u s ARG 183 CO 0.02 -0.52 1.18 0.00 -1.08 0.00 0.00 175.30 174.90 1c8u s ALA 184 N -3.57 3.32 -1.14 7.88 0.00 0.37 -0.79 121.76 127.84 1c8u s ALA 184 Ca 0.01 1.02 -0.06 0.00 0.00 0.00 0.00 51.96 52.93 1c8u s ALA 184 Cb -0.01 -3.39 0.27 0.00 0.00 0.00 0.00 23.12 19.99 1c8u s ALA 184 CO -0.12 -0.44 1.55 -1.71 0.00 0.00 0.00 175.76 175.04 1c8u n ASN 185 N 0.60 5.99 0.00 0.00 5.15 0.39 -4.70 115.26 122.70 1c8u n ASN 185 Ca 0.01 -3.29 0.00 0.00 -0.60 0.00 0.00 54.58 50.70 1c8u n ASN 185 Cb 0.45 -1.34 0.00 0.00 -0.53 0.00 0.00 39.78 38.36 1c8u n ASN 185 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1c8u n GLY 186 N 1.89 -0.03 3.56 8.20 0.00 -1.26 -4.43 105.19 113.12 1c8u n GLY 186 Ca 0.30 -1.63 -0.38 0.00 0.00 0.00 0.00 46.02 44.31 1c8u n GLY 186 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1c8u s SER 187 N -3.74 5.85 0.00 1.61 1.04 -1.26 -4.91 113.70 112.29 1c8u s SER 187 Ca 0.00 -0.04 -0.21 0.00 0.48 0.00 0.00 55.95 56.17 1c8u s SER 187 Cb 0.00 -2.08 -0.05 0.00 0.10 0.00 0.00 66.02 63.99 1c8u s SER 187 CO 0.00 -0.04 0.63 -0.69 0.98 0.00 0.00 173.24 174.12 1c8u s VAL 188 N 1.70 4.89 0.61 5.02 1.01 -1.26 -5.01 120.40 127.36 1c8u s VAL 188 Ca 0.07 1.32 -0.18 0.00 0.00 0.00 0.00 61.98 63.20 1c8u s VAL 188 Cb -0.16 -3.97 -0.08 0.00 0.00 0.00 0.00 36.38 32.17 1c8u s VAL 188 CO 0.09 0.40 0.48 -2.65 0.00 0.00 0.00 175.10 173.43 1c8u n PRO 189 N 2.81 0.44 -1.52 2.72 -0.02 -1.26 -4.81 135.00 133.36 1c8u n PRO 189 Ca -0.06 0.18 -0.37 0.00 -2.02 0.00 0.00 63.50 61.23 1c8u n PRO 189 Cb 0.51 -1.69 -0.03 0.00 -0.02 0.00 0.00 33.50 32.26 1c8u n PRO 189 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1c8u n ASP 190 N 0.44 8.21 -3.72 2.55 8.00 -1.26 -4.74 116.55 126.03 1c8u n ASP 190 Ca 0.11 -2.78 -0.26 0.00 0.71 0.00 0.00 54.79 52.57 1c8u n ASP 190 Cb 0.48 -1.47 -0.17 0.00 -0.02 0.00 0.00 41.12 39.94 1c8u n ASP 190 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1c8u s ASP 191 N 1.50 2.43 0.41 -2.24 -1.08 -1.26 -5.03 116.67 111.39 1c8u s ASP 191 Ca 0.64 -0.57 0.14 0.00 -0.52 0.00 0.00 52.55 52.24 1c8u s ASP 191 Cb 0.20 -0.48 0.99 0.00 -1.46 0.00 0.00 42.92 42.17 1c8u s ASP 191 CO -0.07 -0.28 1.91 0.25 0.52 0.00 0.00 175.17 177.49 1c8u h LEU 192 N 8.30 0.46 -0.98 -1.34 5.85 -1.93 -1.01 115.31 124.66 1c8u h LEU 192 Ca -0.17 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.64 1c8u h LEU 192 Cb 1.13 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 42.03 1c8u h LEU 192 CO 0.30 0.24 0.64 0.03 -0.34 0.00 0.00 178.44 179.31 1c8u h ARG 193 N 0.49 1.15 -0.34 1.25 3.08 -1.96 -0.41 114.38 117.64 1c8u h ARG 193 Ca 0.39 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.28 1c8u h ARG 193 Cb 0.81 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 1c8u h ARG 193 CO -0.14 0.76 -0.13 0.28 -1.07 0.00 0.00 179.97 179.67 1c8u h VAL 194 N 1.18 1.28 -0.76 2.04 2.07 -1.55 -2.49 116.25 118.02 1c8u h VAL 194 Ca 0.41 -1.22 0.06 0.00 0.82 0.00 0.00 66.70 66.77 1c8u h VAL 194 Cb 0.11 1.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.21 1c8u h VAL 194 CO -0.16 0.40 0.50 0.45 0.02 0.00 0.00 177.57 178.78 1c8u h HIS 195 N 0.46 0.85 0.11 1.57 3.86 -1.17 -1.71 115.15 119.12 1c8u h HIS 195 Ca 0.08 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 1c8u h HIS 195 Cb 0.65 -0.28 0.00 0.00 1.06 0.00 0.00 27.41 28.84 1c8u h HIS 195 CO 0.06 0.46 -0.05 1.96 0.86 0.00 0.00 177.93 181.21 1c8u h GLN 196 N 0.85 -0.15 0.00 2.45 4.20 -0.78 0.00 115.11 121.68 1c8u h GLN 196 Ca 0.32 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.04 1c8u h GLN 196 Cb 0.20 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1c8u h GLN 196 CO -0.11 0.16 0.00 0.10 -0.67 0.00 0.00 178.83 178.31 1c8u h TYR 197 N -0.46 0.00 0.01 2.96 -0.00 -1.27 0.16 116.97 118.36 1c8u h TYR 197 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 58.73 58.45 1c8u h TYR 197 Cb 0.38 0.00 0.02 0.00 0.00 0.00 0.00 36.73 37.12 1c8u h TYR 197 CO 0.03 0.00 -1.03 1.25 -0.00 0.00 0.00 178.16 178.40 1c8u h LEU 198 N 0.00 0.82 -0.85 0.10 5.85 -1.15 -1.59 115.31 118.48 1c8u h LEU 198 Ca 0.00 -0.66 -0.11 0.00 0.84 0.00 0.00 57.88 57.94 1c8u h LEU 198 Cb 0.52 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1c8u h LEU 198 CO 0.00 1.46 -0.40 0.25 -0.34 0.00 0.00 178.44 179.41 1c8u h LEU 199 N 0.35 0.38 -0.55 2.25 5.85 -0.26 0.14 115.31 123.46 1c8u h LEU 199 Ca -0.12 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.47 1c8u h LEU 199 Cb 1.69 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.57 1c8u h LEU 199 CO 0.20 0.74 0.33 1.23 -0.34 0.00 0.00 178.44 180.59 1c8u h GLY 200 N 1.16 0.77 0.89 3.75 0.00 -0.54 0.42 103.07 109.53 1c8u h GLY 200 Ca 0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 1c8u h GLY 200 CO 0.07 0.21 -0.13 -1.82 0.00 0.00 0.00 176.54 174.87 1c8u h TYR 201 N 0.65 -0.32 -0.23 5.60 3.20 -0.58 -2.94 116.97 122.34 1c8u h TYR 201 Ca 0.22 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.05 1c8u h TYR 201 Cb 0.03 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 1c8u h TYR 201 CO -0.06 -0.20 -0.03 0.00 -1.64 0.00 0.00 178.16 176.23 1c8u h ALA 202 N 0.52 1.52 0.00 1.82 0.00 -0.37 -2.94 119.26 119.82 1c8u h ALA 202 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1c8u h ALA 202 Cb 0.27 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1c8u h ALA 202 CO -0.01 0.35 0.10 0.66 0.00 0.00 0.00 179.25 180.35 1c8u h SER 203 N 0.34 0.00 -0.20 0.00 4.64 0.01 -0.41 113.55 117.93 1c8u h SER 203 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1c8u h SER 203 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1c8u h SER 203 CO 0.01 0.00 0.00 -0.67 -0.87 0.00 0.00 176.83 175.30 1c8u n ASP 204 N -2.89 1.95 -4.90 4.97 2.03 -1.11 -4.73 116.55 111.87 1c8u n ASP 204 Ca -0.02 -1.76 -0.31 0.00 0.52 0.00 0.00 54.79 53.21 1c8u n ASP 204 Cb 0.16 -0.13 -0.04 0.00 -0.72 0.00 0.00 41.12 40.39 1c8u n ASP 204 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1c8u s LEU 205 N -1.56 4.29 -1.49 -2.67 1.43 -0.17 -4.43 118.68 114.09 1c8u s LEU 205 Ca 0.33 0.25 -0.14 0.00 -1.03 0.00 0.00 54.13 53.54 1c8u s LEU 205 Cb 0.18 -2.83 0.12 0.00 0.03 0.00 0.00 46.19 43.69 1c8u s LEU 205 CO 0.27 0.19 0.68 0.59 0.23 0.00 0.00 176.35 178.31 1c8u n ASN 206 N 0.45 -3.62 0.00 2.29 4.13 -1.26 -4.86 115.26 112.39 1c8u n ASN 206 Ca -0.07 -0.71 0.00 0.00 1.68 0.00 0.00 54.58 55.48 1c8u n ASN 206 Cb 0.51 -2.97 0.00 0.00 -1.54 0.00 0.00 39.78 35.79 1c8u n ASN 206 CO 0.00 0.00 0.00 0.33 0.28 0.00 0.00 177.26 177.87 1c8u n PHE 207 N -4.20 0.00 -0.29 3.10 -0.00 -1.26 -4.79 117.46 110.02 1c8u n PHE 207 Ca 0.04 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.60 1c8u n PHE 207 Cb 0.51 0.00 0.25 0.00 -0.00 0.00 0.00 39.48 40.24 1c8u n PHE 207 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 1c8u h LEU 208 N 0.00 -0.07 -1.63 -2.13 5.85 -1.89 -1.15 115.31 114.28 1c8u h LEU 208 Ca 0.00 0.19 0.08 0.00 0.84 0.00 0.00 57.88 59.00 1c8u h LEU 208 Cb 0.00 0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1c8u h LEU 208 CO 0.00 -0.15 0.57 -0.65 -0.34 0.00 0.00 178.44 177.87 1c8u h PRO 209 N 0.19 0.00 0.00 5.25 0.11 -1.97 -0.53 132.00 135.06 1c8u h PRO 209 Ca 0.51 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.62 1c8u h PRO 209 Cb 0.99 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.10 1c8u h PRO 209 CO -0.65 0.00 -0.02 0.28 -0.21 0.00 0.00 178.00 177.40 1c8u h VAL 210 N 0.00 0.74 0.00 3.15 2.07 -1.51 -1.18 116.25 119.53 1c8u h VAL 210 Ca 0.14 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1c8u h VAL 210 Cb 1.27 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1c8u h VAL 210 CO -0.00 0.02 0.00 0.00 0.02 0.00 0.00 177.57 177.61 1c8u n ALA 211 N -2.41 1.77 0.42 1.67 0.00 -0.21 -2.35 120.51 119.40 1c8u n ALA 211 Ca -0.03 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.46 1c8u n ALA 211 Cb 0.11 -1.26 -0.02 0.00 0.00 0.00 0.00 19.45 18.28 1c8u n ALA 211 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1c8u n LEU 212 N -1.45 0.56 -0.24 0.00 4.77 -0.44 -4.53 117.00 115.67 1c8u n LEU 212 Ca 0.05 0.01 0.02 0.00 -0.03 0.00 0.00 56.01 56.06 1c8u n LEU 212 Cb 0.17 -0.07 0.15 0.00 -2.33 0.00 0.00 43.42 41.34 1c8u n LEU 212 CO 0.14 0.01 1.03 1.56 -1.33 0.00 0.00 177.39 178.81 1c8u h GLN 213 N 0.00 0.49 0.00 3.23 4.20 -1.55 -0.55 115.11 120.93 1c8u h GLN 213 Ca 0.00 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1c8u h GLN 213 Cb 0.80 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.47 1c8u h GLN 213 CO 0.00 0.33 0.00 -2.30 -0.67 0.00 0.00 178.83 176.19 1c8u n PRO 214 N -4.94 0.16 -0.15 1.46 -0.02 -0.97 -1.15 135.00 129.39 1c8u n PRO 214 Ca 0.12 0.55 0.06 0.00 -2.02 0.00 0.00 63.50 62.21 1c8u n PRO 214 Cb 0.32 -1.92 0.14 0.00 -0.02 0.00 0.00 33.50 32.02 1c8u n PRO 214 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1c8u n HIS 215 N -2.24 0.40 -3.31 6.00 8.25 -0.26 -4.74 115.22 119.31 1c8u n HIS 215 Ca 0.00 -0.38 -0.23 0.00 -0.26 0.00 0.00 57.72 56.85 1c8u n HIS 215 Cb 0.11 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.21 1c8u n HIS 215 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1c8u n GLY 216 N 0.66 -0.49 3.42 -1.41 0.00 -0.57 -4.88 105.19 101.92 1c8u n GLY 216 Ca 0.12 0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 1c8u n GLY 216 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c8u s ILE 217 N -2.99 3.02 0.20 -0.61 1.01 -1.19 -3.84 121.20 116.79 1c8u s ILE 217 Ca 0.39 -0.71 -0.16 0.00 0.00 0.00 0.00 60.65 60.17 1c8u s ILE 217 Cb -0.20 -2.21 -0.08 0.00 0.01 0.00 0.00 42.46 39.98 1c8u s ILE 217 CO 0.48 0.56 0.63 -0.83 0.00 0.00 0.00 174.94 175.78 1c8u s GLY 218 N -0.26 2.49 0.00 6.18 0.00 -1.22 -4.60 107.32 109.91 1c8u s GLY 218 Ca 0.01 -0.01 0.18 0.00 0.00 0.00 0.00 44.72 44.90 1c8u s GLY 218 CO 0.03 0.28 1.52 1.97 0.00 0.00 0.00 173.10 176.90 1c8u n PHE 219 N 0.61 0.00 0.63 1.90 -1.74 -1.16 -2.62 117.46 115.07 1c8u n PHE 219 Ca -0.03 0.00 0.07 0.00 -0.56 0.00 0.00 57.45 56.93 1c8u n PHE 219 Cb 0.52 -0.26 0.01 0.00 1.52 0.00 0.00 39.48 41.27 1c8u n PHE 219 CO 0.00 0.00 0.00 1.28 -0.56 0.00 0.00 176.76 177.48 1c8u n LEU 220 N -1.26 1.64 -4.71 5.98 4.77 0.21 -4.76 117.00 118.88 1c8u n LEU 220 Ca 0.09 -0.81 -0.34 0.00 -0.03 0.00 0.00 56.01 54.92 1c8u n LEU 220 Cb 0.13 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.33 1c8u n LEU 220 CO 0.13 0.31 0.79 -1.61 -1.33 0.00 0.00 177.39 175.68 1c8u s GLU 221 N -1.63 1.95 0.29 3.23 2.02 -1.08 -4.89 118.70 118.59 1c8u s GLU 221 Ca 0.13 1.74 -0.29 0.00 0.02 0.00 0.00 54.97 56.57 1c8u s GLU 221 Cb 0.12 -1.81 -0.10 0.00 0.10 0.00 0.00 34.13 32.43 1c8u s GLU 221 CO 0.32 -1.98 1.33 -1.25 0.02 0.00 0.00 175.26 173.70 1c8u s PRO 222 N -4.02 4.35 0.00 0.39 0.04 -1.26 -2.63 135.00 131.87 1c8u s PRO 222 Ca 0.73 2.19 0.00 0.00 0.04 0.00 0.00 61.00 63.97 1c8u s PRO 222 Cb -0.29 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.15 1c8u s PRO 222 CO 0.48 -0.23 0.00 0.41 0.04 0.00 0.00 177.00 177.69 1c8u n GLY 223 N 1.36 2.17 3.73 0.56 0.00 -1.26 -4.96 105.19 106.78 1c8u n GLY 223 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1c8u n GLY 223 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c8u s ILE 224 N -2.91 5.34 -0.08 -0.61 -1.09 -1.08 0.79 121.20 121.56 1c8u s ILE 224 Ca 0.00 0.43 -0.01 0.00 -2.23 0.00 0.00 60.65 58.84 1c8u s ILE 224 Cb 0.00 -3.58 0.03 0.00 -1.58 0.00 0.00 42.46 37.33 1c8u s ILE 224 CO 0.00 0.41 -0.02 -1.58 -1.23 0.00 0.00 174.94 172.52 1c8u s GLN 225 N 0.41 0.87 0.03 2.79 0.74 0.55 -4.80 119.66 120.26 1c8u s GLN 225 Ca 0.14 0.00 0.06 0.00 0.05 0.00 0.00 55.36 55.61 1c8u s GLN 225 Cb -0.12 -1.14 -0.02 0.00 1.10 0.00 0.00 33.01 32.83 1c8u s GLN 225 CO 0.02 -0.29 -0.17 0.96 -0.55 0.00 0.00 175.29 175.26 1c8u s ILE 226 N 1.87 1.40 -0.22 -2.34 -4.36 -1.26 -0.35 121.20 115.94 1c8u s ILE 226 Ca 0.05 -1.05 -0.15 0.00 -0.26 0.00 0.00 60.65 59.23 1c8u s ILE 226 Cb -0.12 -1.22 0.06 0.00 1.25 0.00 0.00 42.46 42.42 1c8u s ILE 226 CO -0.06 0.14 0.55 0.00 0.24 0.00 0.00 174.94 175.81 1c8u s ALA 227 N -0.77 -1.41 0.32 2.27 0.00 -0.57 -4.94 121.76 116.66 1c8u s ALA 227 Ca 0.05 1.79 -0.29 0.00 0.00 0.00 0.00 51.96 53.51 1c8u s ALA 227 Cb -0.08 -1.06 -0.10 0.00 0.00 0.00 0.00 23.12 21.88 1c8u s ALA 227 CO 0.01 -0.30 1.41 0.99 0.00 0.00 0.00 175.76 177.88 1c8u s THR 228 N 1.00 2.47 -0.18 0.00 2.01 -1.26 0.92 115.64 120.60 1c8u s THR 228 Ca -0.06 0.45 -0.12 0.00 0.31 0.00 0.00 61.69 62.27 1c8u s THR 228 Cb -0.06 -3.28 -0.08 0.00 0.01 0.00 0.00 72.50 69.09 1c8u s THR 228 CO -0.09 0.09 -0.28 -0.38 -0.69 0.00 0.00 174.62 173.28 1c8u n ILE 229 N 1.24 1.28 -3.97 1.82 5.41 -0.00 -4.63 119.36 120.51 1c8u n ILE 229 Ca 0.03 -0.12 -0.10 0.00 1.00 0.00 0.00 62.75 63.56 1c8u n ILE 229 Cb 0.40 -1.93 -0.12 0.00 -0.71 0.00 0.00 39.64 37.28 1c8u n ILE 229 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 176.55 178.06 1c8u s ASP 230 N -6.58 0.27 -0.03 4.38 -4.77 -0.97 0.21 116.67 109.17 1c8u s ASP 230 Ca -0.27 -0.42 -0.01 0.00 -3.30 0.00 0.00 52.55 48.55 1c8u s ASP 230 Cb 0.09 0.07 0.03 0.00 -1.09 0.00 0.00 42.92 42.02 1c8u s ASP 230 CO 0.36 -0.24 0.05 -2.28 0.70 0.00 0.00 175.17 173.77 1c8u s HIS 231 N -1.19 0.03 0.10 2.11 2.46 -0.33 -2.77 115.29 115.70 1c8u s HIS 231 Ca -0.13 0.23 0.06 0.00 0.47 0.00 0.00 55.06 55.69 1c8u s HIS 231 Cb -0.08 -0.35 -0.03 0.00 -0.13 0.00 0.00 32.58 31.98 1c8u s HIS 231 CO -0.01 -0.15 -0.15 -1.12 -2.47 0.00 0.00 174.74 170.84 1c8u s SER 232 N 1.65 1.94 -0.06 9.88 0.01 -0.13 -1.76 113.70 125.25 1c8u s SER 232 Ca -0.02 -0.72 -0.16 0.00 1.31 0.00 0.00 55.95 56.37 1c8u s SER 232 Cb -0.12 -0.07 0.03 0.00 0.21 0.00 0.00 66.02 66.07 1c8u s SER 232 CO -0.03 -0.09 0.36 -0.32 0.41 0.00 0.00 173.24 173.57 1c8u s MET 233 N -2.20 0.63 -0.12 12.44 1.75 -0.72 -1.51 119.30 129.57 1c8u s MET 233 Ca 0.04 0.07 0.00 0.00 -1.25 0.00 0.00 55.69 54.55 1c8u s MET 233 Cb -0.08 0.29 0.02 0.00 2.84 0.00 0.00 34.83 37.90 1c8u s MET 233 CO 0.03 -0.15 -0.11 -1.58 -0.65 0.00 0.00 175.02 172.56 1c8u s TRP 234 N -0.84 1.77 -0.59 4.11 0.51 -0.33 -1.40 118.94 122.18 1c8u s TRP 234 Ca -0.09 -0.91 -0.21 0.00 -2.12 0.00 0.00 56.10 52.77 1c8u s TRP 234 Cb -0.04 -1.37 0.08 0.00 -0.81 0.00 0.00 33.47 31.33 1c8u s TRP 234 CO 0.04 -0.55 0.79 -0.06 -0.51 0.00 0.00 176.95 176.66 1c8u s PHE 235 N 1.49 2.88 -0.00 -1.98 0.40 0.12 -1.54 117.98 119.35 1c8u s PHE 235 Ca 0.03 -0.64 -0.19 0.00 -0.60 0.00 0.00 56.93 55.53 1c8u s PHE 235 Cb -0.13 -4.00 -0.31 0.00 0.51 0.00 0.00 43.02 39.09 1c8u s PHE 235 CO -0.08 -1.36 0.99 0.45 0.70 0.00 0.00 175.22 175.92 1c8u h HIS 236 N 9.28 0.74 -4.16 0.36 3.86 -1.32 -3.44 115.15 120.48 1c8u h HIS 236 Ca -0.28 -0.51 -0.12 0.00 -1.16 0.00 0.00 60.37 58.30 1c8u h HIS 236 Cb 1.08 -0.04 -0.15 0.00 1.06 0.00 0.00 27.41 29.36 1c8u h HIS 236 CO 0.87 1.38 -0.59 1.03 0.86 0.00 0.00 177.93 181.47 1c8u s ARG 237 N -2.68 0.73 0.84 2.45 0.52 -0.87 -5.03 118.95 114.91 1c8u s ARG 237 Ca -0.12 -1.19 -0.11 0.00 -0.52 0.00 0.00 55.73 53.79 1c8u s ARG 237 Cb 0.03 0.25 0.10 0.00 0.52 0.00 0.00 34.95 35.85 1c8u s ARG 237 CO 0.88 -0.18 1.10 -1.25 0.02 0.00 0.00 175.30 175.87 1c8u s PRO 238 N -3.93 1.67 0.23 3.54 0.04 -1.26 -4.82 135.00 130.47 1c8u s PRO 238 Ca 0.10 1.21 -0.22 0.00 0.04 0.00 0.00 61.00 62.12 1c8u s PRO 238 Cb 0.07 -1.83 0.04 0.00 0.04 0.00 0.00 34.50 32.82 1c8u s PRO 238 CO -0.08 -2.07 0.80 -0.59 0.04 0.00 0.00 177.00 175.10 1c8u s PHE 239 N -2.83 -0.18 -0.29 0.56 -0.12 -1.26 -4.95 117.98 108.92 1c8u s PHE 239 Ca 0.63 -0.22 0.00 0.00 -0.05 0.00 0.00 56.93 57.29 1c8u s PHE 239 Cb -0.19 0.68 0.09 0.00 -0.63 0.00 0.00 43.02 42.97 1c8u s PHE 239 CO 0.57 -1.09 0.04 1.21 -0.05 0.00 0.00 175.22 175.91 1c8u s ASN 240 N -2.92 4.04 0.00 1.98 3.84 -1.26 -4.96 114.94 115.65 1c8u s ASN 240 Ca 0.11 -1.55 0.10 0.00 0.21 0.00 0.00 52.86 51.73 1c8u s ASN 240 Cb -0.04 -1.08 0.56 0.00 -0.55 0.00 0.00 41.25 40.13 1c8u s ASN 240 CO 0.05 -0.35 1.05 0.18 -2.79 0.00 0.00 177.10 175.24 1c8u n LEU 241 N 4.69 0.00 0.22 3.21 4.77 -1.26 -0.73 117.00 127.90 1c8u n LEU 241 Ca -0.04 0.06 0.11 0.00 -0.03 0.00 0.00 56.01 56.11 1c8u n LEU 241 Cb 0.43 -0.06 0.25 0.00 -2.33 0.00 0.00 43.42 41.72 1c8u n LEU 241 CO 0.15 -0.04 0.78 0.78 -1.33 0.00 0.00 177.39 177.74 1c8u h ASN 242 N 0.00 0.00 -1.96 -1.43 2.35 -1.91 0.11 115.58 112.74 1c8u h ASN 242 Ca 0.00 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 55.28 1c8u h ASN 242 Cb 0.02 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.37 1c8u h ASN 242 CO 0.00 0.10 -0.42 -1.61 -1.65 0.00 0.00 177.43 173.85 1c8u s GLU 243 N -3.28 3.03 0.54 0.81 2.02 0.09 -4.67 118.70 117.25 1c8u s GLU 243 Ca 0.05 -1.05 -0.21 0.00 0.02 0.00 0.00 54.97 53.78 1c8u s GLU 243 Cb 0.06 -2.69 -0.05 0.00 0.10 0.00 0.00 34.13 31.56 1c8u s GLU 243 CO 0.66 0.20 1.25 -1.58 0.02 0.00 0.00 175.26 175.81 1c8u s TRP 244 N -2.17 2.48 -0.01 1.61 0.52 -1.26 -4.63 118.94 115.49 1c8u s TRP 244 Ca 0.40 1.47 0.00 0.00 0.02 0.00 0.00 56.10 57.99 1c8u s TRP 244 Cb -0.08 -3.57 0.01 0.00 -1.15 0.00 0.00 33.47 28.68 1c8u s TRP 244 CO 0.28 -2.28 0.00 -0.51 0.02 0.00 0.00 176.95 174.47 1c8u s LEU 245 N -3.60 1.76 -0.17 2.99 1.43 -0.34 -3.62 118.68 117.13 1c8u s LEU 245 Ca 0.72 -0.00 -0.15 0.00 -1.03 0.00 0.00 54.13 53.67 1c8u s LEU 245 Cb -0.34 -0.05 -0.04 0.00 0.03 0.00 0.00 46.19 45.79 1c8u s LEU 245 CO 0.39 -0.03 0.34 -0.22 0.23 0.00 0.00 176.35 177.06 1c8u s LEU 246 N 0.28 4.22 -0.50 1.79 2.96 0.12 -0.64 118.68 126.90 1c8u s LEU 246 Ca -0.02 0.54 -0.10 0.00 -0.22 0.00 0.00 54.13 54.33 1c8u s LEU 246 Cb -0.04 -2.45 0.13 0.00 0.50 0.00 0.00 46.19 44.33 1c8u s LEU 246 CO -0.01 0.04 0.38 -0.47 -1.32 0.00 0.00 176.35 174.97 1c8u s TYR 247 N 0.71 3.42 -0.36 5.38 5.04 0.38 -1.03 117.35 130.89 1c8u s TYR 247 Ca 0.18 -1.84 -0.20 0.00 -2.44 0.00 0.00 57.07 52.78 1c8u s TYR 247 Cb -0.14 -3.54 0.00 0.00 0.35 0.00 0.00 41.96 38.64 1c8u s TYR 247 CO 0.06 -0.99 0.60 0.45 -1.34 0.00 0.00 175.55 174.32 1c8u s SER 248 N 2.71 6.39 0.07 4.32 0.15 0.50 -2.52 113.70 125.33 1c8u s SER 248 Ca 0.06 0.08 0.10 0.00 0.70 0.00 0.00 55.95 56.89 1c8u s SER 248 Cb -0.26 -2.31 -0.03 0.00 -1.71 0.00 0.00 66.02 61.71 1c8u s SER 248 CO -0.01 -0.56 -0.26 -0.69 1.20 0.00 0.00 173.24 172.92 1c8u s VAL 249 N 2.61 2.17 0.02 4.45 1.01 0.53 -0.92 120.40 130.27 1c8u s VAL 249 Ca 0.23 -1.50 -0.01 0.00 0.00 0.00 0.00 61.98 60.69 1c8u s VAL 249 Cb -0.15 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.34 1c8u s VAL 249 CO 0.14 0.28 -0.00 -1.83 0.00 0.00 0.00 175.10 173.69 1c8u s GLU 250 N -1.50 0.37 -0.35 2.72 -1.05 -0.57 -0.62 118.70 117.70 1c8u s GLU 250 Ca 0.12 -0.64 0.01 0.00 -0.15 0.00 0.00 54.97 54.32 1c8u s GLU 250 Cb -0.10 0.13 0.10 0.00 -0.44 0.00 0.00 34.13 33.82 1c8u s GLU 250 CO 0.03 -0.07 0.09 0.45 0.95 0.00 0.00 175.26 176.71 1c8u s SER 251 N -1.59 4.92 0.04 0.83 0.15 -0.34 -1.04 113.70 116.68 1c8u s SER 251 Ca -0.14 -1.99 0.27 0.00 0.70 0.00 0.00 55.95 54.79 1c8u s SER 251 Cb -0.08 -1.70 1.09 0.00 -1.71 0.00 0.00 66.02 63.62 1c8u s SER 251 CO -0.01 -0.41 1.85 0.35 1.20 0.00 0.00 173.24 176.21 1c8u n THR 252 N 4.41 0.23 -3.54 6.45 -2.24 -1.20 -4.80 114.28 113.59 1c8u n THR 252 Ca -0.01 -0.02 -0.09 0.00 -2.27 0.00 0.00 64.05 61.66 1c8u n THR 252 Cb 0.42 -0.58 -0.03 0.00 -2.10 0.00 0.00 70.33 68.03 1c8u n THR 252 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1c8u s SER 253 N -3.31 -0.36 -0.18 3.42 0.15 -1.26 -5.07 113.70 107.10 1c8u s SER 253 Ca 0.12 0.18 -0.10 0.00 0.70 0.00 0.00 55.95 56.86 1c8u s SER 253 Cb 0.17 0.34 0.06 0.00 -1.71 0.00 0.00 66.02 64.88 1c8u s SER 253 CO 0.51 -0.48 0.43 0.00 1.20 0.00 0.00 173.24 174.90 1c8u s ALA 254 N -2.20 -1.11 -0.17 5.45 0.00 -1.26 -1.11 121.76 121.35 1c8u s ALA 254 Ca 0.02 1.60 -0.31 0.00 0.00 0.00 0.00 51.96 53.27 1c8u s ALA 254 Cb -0.01 -0.97 0.14 0.00 0.00 0.00 0.00 23.12 22.28 1c8u s ALA 254 CO -0.04 -0.28 1.11 -1.54 0.00 0.00 0.00 175.76 175.02 1c8u s SER 255 N 1.43 -0.24 -1.45 0.00 1.04 -0.44 -4.98 113.70 109.06 1c8u s SER 255 Ca -0.10 0.15 -0.10 0.00 0.48 0.00 0.00 55.95 56.39 1c8u s SER 255 Cb -0.08 0.22 0.06 0.00 0.10 0.00 0.00 66.02 66.31 1c8u s SER 255 CO -0.13 -0.29 0.76 -1.20 0.98 0.00 0.00 173.24 173.36 1c8u n SER 256 N 0.30 -4.98 -0.79 7.02 7.64 -1.26 -1.24 113.62 120.30 1c8u n SER 256 Ca -0.05 -0.52 -0.09 0.00 1.01 0.00 0.00 58.87 59.22 1c8u n SER 256 Cb 0.59 -4.02 -0.03 0.00 -1.01 0.00 0.00 64.21 59.74 1c8u n SER 256 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1c8u n ALA 257 N -4.09 -0.18 -2.51 -0.43 0.00 -1.26 -5.00 120.51 107.05 1c8u n ALA 257 Ca -0.02 0.12 -0.21 0.00 0.00 0.00 0.00 53.44 53.34 1c8u n ALA 257 Cb 0.56 -1.19 -0.12 0.00 0.00 0.00 0.00 19.45 18.70 1c8u n ALA 257 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1c8u s ARG 258 N -3.28 1.11 -0.02 0.00 0.52 -0.38 -0.33 118.95 116.58 1c8u s ARG 258 Ca 0.00 -1.25 0.05 0.00 -0.52 0.00 0.00 55.73 54.01 1c8u s ARG 258 Cb 0.00 -1.15 -0.01 0.00 0.52 0.00 0.00 34.95 34.31 1c8u s ARG 258 CO 0.00 0.24 -0.15 0.20 0.02 0.00 0.00 175.30 175.61 1c8u s GLY 259 N -2.32 0.77 -0.09 -3.53 0.00 -0.02 -1.32 107.32 100.81 1c8u s GLY 259 Ca 0.09 -0.66 0.04 0.00 0.00 0.00 0.00 44.72 44.20 1c8u s GLY 259 CO 0.04 -0.52 -0.23 -0.12 0.00 0.00 0.00 173.10 172.28 1c8u s PHE 260 N -0.30 2.37 0.04 1.90 5.36 -0.27 -1.37 117.98 125.72 1c8u s PHE 260 Ca 0.05 -0.90 0.02 0.00 -0.96 0.00 0.00 56.93 55.14 1c8u s PHE 260 Cb -0.07 -1.59 -0.02 0.00 -0.34 0.00 0.00 43.02 41.00 1c8u s PHE 260 CO -0.00 -0.35 -0.08 0.14 -1.46 0.00 0.00 175.22 173.46 1c8u s VAL 261 N 0.26 0.60 -0.04 3.12 -7.23 0.11 -3.23 120.40 114.00 1c8u s VAL 261 Ca -0.15 -1.01 0.02 0.00 -1.81 0.00 0.00 61.98 59.03 1c8u s VAL 261 Cb -0.17 -0.64 0.01 0.00 0.56 0.00 0.00 36.38 36.15 1c8u s VAL 261 CO 0.07 -0.30 -0.08 -0.13 -0.31 0.00 0.00 175.10 174.34 1c8u s ARG 262 N -1.43 1.12 0.26 4.82 0.52 -0.20 -1.18 118.95 122.85 1c8u s ARG 262 Ca -0.08 -0.27 0.05 0.00 -0.52 0.00 0.00 55.73 54.92 1c8u s ARG 262 Cb -0.09 -1.01 -0.06 0.00 0.52 0.00 0.00 34.95 34.31 1c8u s ARG 262 CO 0.01 0.02 -0.03 0.20 0.02 0.00 0.00 175.30 175.52 1c8u s GLY 263 N 0.57 1.71 -0.09 -3.53 0.00 0.58 -1.51 107.32 105.04 1c8u s GLY 263 Ca -0.09 -1.84 -0.08 0.00 0.00 0.00 0.00 44.72 42.71 1c8u s GLY 263 CO 0.01 -1.76 0.24 -0.54 0.00 0.00 0.00 173.10 171.05 1c8u s GLU 264 N -3.79 0.26 -0.18 2.90 2.02 -0.09 -0.65 118.70 119.16 1c8u s GLU 264 Ca 0.29 0.36 -0.06 0.00 0.02 0.00 0.00 54.97 55.58 1c8u s GLU 264 Cb 0.05 0.09 -0.03 0.00 0.10 0.00 0.00 34.13 34.33 1c8u s GLU 264 CO 0.10 -0.06 0.02 -0.06 0.02 0.00 0.00 175.26 175.29 1c8u s PHE 265 N 0.33 3.12 0.04 1.61 0.40 -0.05 -0.37 117.98 123.06 1c8u s PHE 265 Ca -0.02 -0.19 0.07 0.00 -0.60 0.00 0.00 56.93 56.19 1c8u s PHE 265 Cb -0.03 -2.06 -0.02 0.00 0.51 0.00 0.00 43.02 41.41 1c8u s PHE 265 CO -0.01 -0.03 -0.19 0.71 0.70 0.00 0.00 175.22 176.40 1c8u s TYR 266 N 0.62 1.64 0.77 0.36 1.51 -0.19 -0.64 117.35 121.43 1c8u s TYR 266 Ca 0.01 -0.36 -0.11 0.00 -1.01 0.00 0.00 57.07 55.59 1c8u s TYR 266 Cb -0.14 -0.98 0.06 0.00 -0.11 0.00 0.00 41.96 40.79 1c8u s TYR 266 CO 0.02 0.07 1.09 0.95 -1.11 0.00 0.00 175.55 176.57 1c8u s THR 267 N -0.79 3.27 0.43 -0.71 -4.23 -0.04 0.10 115.64 113.68 1c8u s THR 267 Ca 0.06 0.41 0.10 0.00 -1.18 0.00 0.00 61.69 61.08 1c8u s THR 267 Cb -0.08 -3.17 0.28 0.00 1.34 0.00 0.00 72.50 70.86 1c8u s THR 267 CO 0.01 -0.54 2.06 -0.61 -0.54 0.00 0.00 174.62 175.01 1c8u h GLN 268 N -1.00 0.42 0.00 3.99 4.15 -1.91 0.39 115.11 121.15 1c8u h GLN 268 Ca -0.46 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.93 1c8u h GLN 268 Cb 1.26 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.85 1c8u h GLN 268 CO 0.59 0.28 0.00 -0.25 -1.93 0.00 0.00 178.83 177.52 1c8u n ASP 269 N -4.48 0.00 0.00 -0.69 8.00 -1.26 -4.89 116.55 113.23 1c8u n ASP 269 Ca 0.03 0.23 0.00 0.00 0.71 0.00 0.00 54.79 55.76 1c8u n ASP 269 Cb 0.11 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.84 1c8u n ASP 269 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1c8u n GLY 270 N 0.34 1.07 3.71 0.44 0.00 0.13 -5.08 105.19 105.80 1c8u n GLY 270 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1c8u n GLY 270 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1c8u s VAL 271 N -2.00 4.96 -0.45 1.61 1.01 -1.25 -4.46 120.40 119.83 1c8u s VAL 271 Ca 0.00 1.72 -0.29 0.00 0.00 0.00 0.00 61.98 63.41 1c8u s VAL 271 Cb 0.00 -4.16 0.03 0.00 0.00 0.00 0.00 36.38 32.24 1c8u s VAL 271 CO 0.00 0.20 1.12 -0.22 0.00 0.00 0.00 175.10 176.21 1c8u s LEU 272 N 0.94 3.70 -0.14 3.92 2.96 -1.26 -0.86 118.68 127.94 1c8u s LEU 272 Ca 0.44 0.58 0.04 0.00 -0.22 0.00 0.00 54.13 54.96 1c8u s LEU 272 Cb -0.19 -3.54 -0.23 0.00 0.50 0.00 0.00 46.19 42.72 1c8u s LEU 272 CO 0.22 -1.18 0.26 0.52 -1.32 0.00 0.00 176.35 174.85 1c8u n VAL 273 N 6.65 1.61 -3.49 1.68 0.31 0.19 -4.31 118.33 120.98 1c8u n VAL 273 Ca 0.12 -0.70 -0.09 0.00 -0.01 0.00 0.00 64.34 63.65 1c8u n VAL 273 Cb 0.49 -1.29 -0.02 0.00 -0.91 0.00 0.00 33.84 32.10 1c8u n VAL 273 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1c8u s ALA 274 N -2.55 -1.79 0.10 3.52 0.00 -1.21 -0.94 121.76 118.89 1c8u s ALA 274 Ca -0.19 0.95 0.07 0.00 0.00 0.00 0.00 51.96 52.79 1c8u s ALA 274 Cb 0.07 0.46 -0.03 0.00 0.00 0.00 0.00 23.12 23.62 1c8u s ALA 274 CO 0.75 -0.69 -0.17 -1.12 0.00 0.00 0.00 175.76 174.53 1c8u s SER 275 N -2.48 2.16 0.04 0.00 0.01 -0.59 -0.88 113.70 111.97 1c8u s SER 275 Ca 0.04 -0.69 0.00 0.00 1.31 0.00 0.00 55.95 56.62 1c8u s SER 275 Cb -0.01 -0.10 -0.03 0.00 0.21 0.00 0.00 66.02 66.09 1c8u s SER 275 CO -0.09 -0.02 -0.04 0.42 0.41 0.00 0.00 173.24 173.91 1c8u s THR 276 N -1.38 0.29 -0.07 1.44 -4.23 0.17 -1.18 115.64 110.68 1c8u s THR 276 Ca 0.04 -1.31 -0.06 0.00 -1.18 0.00 0.00 61.69 59.18 1c8u s THR 276 Cb -0.09 -0.84 0.02 0.00 1.34 0.00 0.00 72.50 72.93 1c8u s THR 276 CO 0.04 -0.66 0.19 -0.69 -0.54 0.00 0.00 174.62 172.95 1c8u s VAL 277 N -2.38 -0.01 -0.17 2.29 1.01 -0.57 -0.31 120.40 120.26 1c8u s VAL 277 Ca -0.05 0.04 -0.20 0.00 0.00 0.00 0.00 61.98 61.77 1c8u s VAL 277 Cb -0.03 -0.28 0.05 0.00 0.00 0.00 0.00 36.38 36.12 1c8u s VAL 277 CO -0.04 0.02 0.55 -1.58 0.00 0.00 0.00 175.10 174.05 1c8u s GLN 278 N 0.37 0.69 0.05 2.72 0.74 -0.33 -0.95 119.66 122.96 1c8u s GLN 278 Ca -0.02 0.63 0.07 0.00 0.05 0.00 0.00 55.36 56.09 1c8u s GLN 278 Cb -0.04 0.33 -0.03 0.00 1.10 0.00 0.00 33.01 34.38 1c8u s GLN 278 CO -0.02 -0.11 -0.21 -2.00 -0.55 0.00 0.00 175.29 172.40 1c8u s GLU 279 N -0.02 1.33 0.17 1.67 2.12 -1.11 -0.71 118.70 122.16 1c8u s GLU 279 Ca -0.02 -0.97 -0.13 0.00 0.36 0.00 0.00 54.97 54.21 1c8u s GLU 279 Cb -0.04 -1.47 0.01 0.00 0.26 0.00 0.00 34.13 32.90 1c8u s GLU 279 CO 0.02 0.37 0.39 0.20 -0.54 0.00 0.00 175.26 175.70 1c8u s GLY 280 N -1.29 0.21 0.35 -1.50 0.00 -0.47 -0.82 107.32 103.80 1c8u s GLY 280 Ca 0.07 -0.58 -0.27 0.00 0.00 0.00 0.00 44.72 43.94 1c8u s GLY 280 CO 0.02 -0.58 1.20 0.14 0.00 0.00 0.00 173.10 173.88 1c8u s VAL 281 N -3.92 3.07 -0.22 1.40 1.01 0.26 -0.84 120.40 121.16 1c8u s VAL 281 Ca 0.13 0.99 -0.04 0.00 0.00 0.00 0.00 61.98 63.06 1c8u s VAL 281 Cb 0.01 -3.60 0.08 0.00 0.00 0.00 0.00 36.38 32.88 1c8u s VAL 281 CO -0.02 0.18 0.14 -0.04 0.00 0.00 0.00 175.10 175.36 1c8u s MET 282 N -1.95 0.14 0.05 2.72 -1.94 0.55 -1.51 119.30 117.37 1c8u s MET 282 Ca 0.52 -0.16 0.06 0.00 -1.71 0.00 0.00 55.69 54.40 1c8u s MET 282 Cb -0.34 -1.43 -0.03 0.00 2.01 0.00 0.00 34.83 35.04 1c8u s MET 282 CO 0.44 -0.79 -0.17 1.03 -0.01 0.00 0.00 175.02 175.52 1c8u s ARG 283 N 2.18 1.08 -0.46 2.03 0.52 0.53 -4.23 118.95 120.61 1c8u s ARG 283 Ca 0.05 -0.89 0.04 0.00 -0.52 0.00 0.00 55.73 54.41 1c8u s ARG 283 Cb -0.16 -1.16 0.12 0.00 0.52 0.00 0.00 34.95 34.27 1c8u s ARG 283 CO -0.19 0.29 0.19 1.21 0.02 0.00 0.00 175.30 176.81 1c8u s ASN 284 N -1.32 4.53 -1.22 0.23 3.04 -1.26 -0.33 114.94 118.61 1c8u s ASN 284 Ca 0.04 -2.69 -0.21 0.00 0.04 0.00 0.00 52.86 50.04 1c8u s ASN 284 Cb -0.09 -1.65 -0.02 0.00 -1.54 0.00 0.00 41.25 37.96 1c8u s ASN 284 CO 0.02 -0.30 1.84 -1.00 -3.04 0.00 0.00 177.10 174.63 1c8u s HIS 285 N 0.17 2.30 0.00 0.43 3.76 0.24 -4.99 115.29 117.20 1c8u s HIS 285 Ca 0.15 -0.42 0.00 0.00 -0.15 0.00 0.00 55.06 54.64 1c8u s HIS 285 Cb -0.23 -4.33 0.00 0.00 1.11 0.00 0.00 32.58 29.13 1c8u s HIS 285 CO -0.03 -1.48 0.00 0.09 -0.85 0.00 0.00 174.74 172.46