#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 0.69 -0.65 -1.46 5.75 -1.96 -0.96 115.11 116.53 1c8u h GLN 3 Ca 0.00 -0.04 0.07 0.00 -0.15 0.00 0.00 58.65 58.53 1c8u h GLN 3 Cb 0.00 -0.16 -0.06 0.00 1.07 0.00 0.00 27.48 28.34 1c8u h GLN 3 CO 0.00 0.46 0.34 0.00 -2.65 0.00 0.00 178.83 176.98 1c8u h ALA 4 N 1.30 0.87 -0.47 3.38 0.00 -1.90 0.37 119.26 122.81 1c8u h ALA 4 Ca 0.26 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 1c8u h ALA 4 Cb 0.08 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1c8u h ALA 4 CO -0.13 -0.01 -0.00 1.25 0.00 0.00 0.00 179.25 180.36 1c8u h LEU 5 N 0.62 0.82 -0.98 0.00 5.85 -1.63 -1.18 115.31 118.80 1c8u h LEU 5 Ca 0.30 -0.31 -0.02 0.00 0.84 0.00 0.00 57.88 58.70 1c8u h LEU 5 Cb 0.23 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 1c8u h LEU 5 CO -0.21 0.93 0.48 0.11 -0.34 0.00 0.00 178.44 179.41 1c8u h LYS 6 N 0.69 1.19 -0.27 1.25 1.57 -0.30 -0.72 116.57 119.98 1c8u h LYS 6 Ca 0.13 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1c8u h LYS 6 Cb 0.51 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1c8u h LYS 6 CO 0.02 0.87 0.05 -0.91 -0.57 0.00 0.00 179.45 178.91 1c8u h ASN 7 N 1.20 0.42 -0.33 0.86 -0.26 0.03 -1.38 115.58 116.12 1c8u h ASN 7 Ca 0.30 -0.25 -0.01 0.00 -0.56 0.00 0.00 56.30 55.79 1c8u h ASN 7 Cb 0.01 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.15 1c8u h ASN 7 CO -0.05 0.55 0.15 0.25 -1.06 0.00 0.00 177.43 177.28 1c8u h LEU 8 N 0.26 0.43 -1.31 1.61 5.85 -0.90 0.77 115.31 122.02 1c8u h LEU 8 Ca 0.08 -0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1c8u h LEU 8 Cb 0.31 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1c8u h LEU 8 CO 0.00 0.44 0.37 -0.07 -0.34 0.00 0.00 178.44 178.85 1c8u h LEU 9 N 0.39 0.74 -0.22 2.25 3.38 -1.08 0.51 115.31 121.28 1c8u h LEU 9 Ca 0.11 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1c8u h LEU 9 Cb 0.13 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 1c8u h LEU 9 CO -0.01 0.57 -0.07 0.74 0.09 0.00 0.00 178.44 179.76 1c8u h THR 10 N 0.86 1.29 -0.26 0.22 2.02 -0.84 -1.80 112.91 114.40 1c8u h THR 10 Ca 0.23 -1.09 -0.03 0.00 0.77 0.00 0.00 66.41 66.29 1c8u h THR 10 Cb -0.03 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 1c8u h THR 10 CO -0.04 0.34 0.05 0.25 0.37 0.00 0.00 175.52 176.48 1c8u h LEU 11 N 0.17 0.34 -0.35 2.58 5.85 -0.18 -1.93 115.31 121.80 1c8u h LEU 11 Ca 0.05 -0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.66 1c8u h LEU 11 Cb 0.54 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 1c8u h LEU 11 CO 0.03 0.37 -0.34 -0.07 -0.34 0.00 0.00 178.44 178.08 1c8u h LEU 12 N 0.37 0.00 -8.04 2.25 3.38 -0.75 -3.40 115.31 109.12 1c8u h LEU 12 Ca 0.09 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.45 1c8u h LEU 12 Cb 0.18 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.83 1c8u h LEU 12 CO -0.00 0.34 1.68 0.21 0.09 0.00 0.00 178.44 180.76 1c8u s ASN 13 N -6.34 6.55 0.74 -0.43 2.47 -0.69 -4.75 114.94 112.49 1c8u s ASN 13 Ca 0.03 -1.72 -0.15 0.00 0.42 0.00 0.00 52.86 51.44 1c8u s ASN 13 Cb 0.08 -2.57 0.04 0.00 -1.45 0.00 0.00 41.25 37.34 1c8u s ASN 13 CO 0.70 -1.46 1.14 0.18 -3.72 0.00 0.00 177.10 173.94 1c8u n LEU 14 N 8.93 4.46 -4.69 3.21 4.77 -1.26 -4.95 117.00 127.46 1c8u n LEU 14 Ca 0.38 0.67 -0.40 0.00 -0.03 0.00 0.00 56.01 56.63 1c8u n LEU 14 Cb 0.49 -1.48 -0.05 0.00 -2.33 0.00 0.00 43.42 40.05 1c8u n LEU 14 CO 0.69 -1.66 0.38 -0.70 -1.33 0.00 0.00 177.39 174.77 1c8u s GLU 15 N -3.68 4.34 -0.22 3.23 2.12 -0.66 -4.92 118.70 118.91 1c8u s GLU 15 Ca 0.75 0.75 -0.24 0.00 0.36 0.00 0.00 54.97 56.60 1c8u s GLU 15 Cb -0.33 -3.50 -0.01 0.00 0.26 0.00 0.00 34.13 30.55 1c8u s GLU 15 CO 0.48 -0.06 0.79 0.21 -0.54 0.00 0.00 175.26 176.13 1c8u s LYS 16 N 1.28 4.20 -0.15 4.30 2.20 -1.26 -0.48 119.74 129.83 1c8u s LYS 16 Ca 0.33 0.88 -0.02 0.00 -0.36 0.00 0.00 55.97 56.80 1c8u s LYS 16 Cb -0.17 -3.62 -0.24 0.00 -1.51 0.00 0.00 37.83 32.29 1c8u s LYS 16 CO 0.14 -0.44 0.25 -0.89 -0.36 0.00 0.00 175.35 174.05 1c8u n ILE 17 N 5.09 1.69 -3.82 5.43 2.08 0.15 -4.97 119.36 125.01 1c8u n ILE 17 Ca 0.04 -0.66 -0.06 0.00 0.56 0.00 0.00 62.75 62.63 1c8u n ILE 17 Cb 0.48 -1.55 0.02 0.00 -0.75 0.00 0.00 39.64 37.85 1c8u n ILE 17 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 1c8u n GLU 18 N -3.36 0.85 -1.68 0.38 -0.58 -0.75 -5.01 120.64 110.49 1c8u n GLU 18 Ca -0.34 -1.77 -0.42 0.00 -0.42 0.00 0.00 57.16 54.22 1c8u n GLU 18 Cb 1.04 2.29 -0.03 0.00 -0.57 0.00 0.00 31.44 34.17 1c8u n GLU 18 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 1c8u s GLU 19 N -2.07 4.14 -1.46 3.49 0.41 -1.26 -0.96 118.70 120.99 1c8u s GLU 19 Ca 0.19 2.62 0.00 0.00 -0.41 0.00 0.00 54.97 57.37 1c8u s GLU 19 Cb -0.04 -3.92 0.00 0.00 -1.78 0.00 0.00 34.13 28.39 1c8u s GLU 19 CO 0.08 -0.91 0.00 0.41 -0.49 0.00 0.00 175.26 174.35 1c8u n GLY 20 N 4.42 0.70 2.65 -1.39 0.00 -1.26 -4.93 105.19 105.38 1c8u n GLY 20 Ca 0.19 -0.28 -0.27 0.00 0.00 0.00 0.00 46.02 45.66 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 -3.87 0.68 0.35 0.99 2.96 -0.14 -0.50 118.68 119.15 1c8u s LEU 21 Ca 0.00 -0.76 0.05 0.00 -0.22 0.00 0.00 54.13 53.21 1c8u s LEU 21 Cb 0.00 -0.38 -0.07 0.00 0.50 0.00 0.00 46.19 46.24 1c8u s LEU 21 CO 0.00 -0.34 0.03 -0.36 -1.32 0.00 0.00 176.35 174.35 1c8u s PHE 22 N 2.03 2.17 -0.06 5.38 0.40 0.33 0.33 117.98 128.56 1c8u s PHE 22 Ca 0.02 -0.82 0.01 0.00 -0.60 0.00 0.00 56.93 55.53 1c8u s PHE 22 Cb -0.16 -1.45 0.02 0.00 0.51 0.00 0.00 43.02 41.94 1c8u s PHE 22 CO -0.11 0.20 -0.06 0.50 0.70 0.00 0.00 175.22 176.45 1c8u s ARG 23 N -3.81 1.05 0.01 0.44 3.52 0.37 -0.76 118.95 119.77 1c8u s ARG 23 Ca 0.35 -0.16 0.07 0.00 -0.13 0.00 0.00 55.73 55.87 1c8u s ARG 23 Cb 0.09 -1.04 -0.02 0.00 -1.56 0.00 0.00 34.95 32.41 1c8u s ARG 23 CO 0.16 -0.10 -0.23 0.20 -0.81 0.00 0.00 175.30 174.52 1c8u s GLY 24 N 1.05 1.16 0.48 8.12 0.00 0.62 -1.66 107.32 117.10 1c8u s GLY 24 Ca -0.09 -1.05 -0.05 0.00 0.00 0.00 0.00 44.72 43.53 1c8u s GLY 24 CO -0.01 -0.92 0.78 1.20 0.00 0.00 0.00 173.10 174.16 1c8u s GLN 25 N -0.83 3.56 0.07 2.90 -1.52 -1.26 -0.26 119.66 122.31 1c8u s GLN 25 Ca 0.09 0.21 0.04 0.00 -1.95 0.00 0.00 55.36 53.75 1c8u s GLN 25 Cb -0.09 -2.38 -0.04 0.00 -0.22 0.00 0.00 33.01 30.28 1c8u s GLN 25 CO 0.00 -0.19 0.00 -1.12 -0.25 0.00 0.00 175.29 173.74 1c8u s SER 26 N -4.04 5.08 0.38 5.90 0.01 -1.26 -4.87 113.70 114.90 1c8u s SER 26 Ca 0.48 -0.12 -0.27 0.00 1.31 0.00 0.00 55.95 57.34 1c8u s SER 26 Cb -0.10 -1.25 -0.11 0.00 0.21 0.00 0.00 66.02 64.77 1c8u s SER 26 CO 0.44 0.20 1.36 -0.62 0.41 0.00 0.00 173.24 175.03 1c8u n GLU 27 N 0.78 2.25 0.06 12.44 1.02 -1.26 -4.90 120.64 131.03 1c8u n GLU 27 Ca -0.12 0.79 -0.13 0.00 -0.02 0.00 0.00 57.16 57.68 1c8u n GLU 27 Cb 0.52 -2.47 -0.14 0.00 -0.02 0.00 0.00 31.44 29.33 1c8u n GLU 27 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1c8u h ASP 28 N 2.52 0.26 -2.12 1.62 3.32 -1.95 -3.46 116.42 116.60 1c8u h ASP 28 Ca -0.48 -0.34 -0.60 0.00 0.02 0.00 0.00 57.03 55.62 1c8u h ASP 28 Cb 1.27 -0.08 0.03 0.00 0.22 0.00 0.00 39.33 40.77 1c8u h ASP 28 CO 0.62 1.28 1.04 0.18 -1.72 0.00 0.00 179.24 180.64 1c8u n LEU 29 N -3.39 3.43 0.00 1.55 4.77 -1.26 -4.68 117.00 117.42 1c8u n LEU 29 Ca -0.12 0.99 0.00 0.00 -0.03 0.00 0.00 56.01 56.86 1c8u n LEU 29 Cb 1.02 -1.40 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 1c8u n LEU 29 CO 0.49 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1c8u n GLY 30 N 4.18 0.00 0.86 -0.72 0.00 -1.26 -4.98 105.19 103.26 1c8u n GLY 30 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00 -3.20 -0.07 0.99 4.77 -1.26 -4.86 117.00 113.37 1c8u n LEU 31 Ca 0.00 0.95 -0.12 0.00 -0.03 0.00 0.00 56.01 56.81 1c8u n LEU 31 Cb 0.00 -1.30 -0.05 0.00 -2.33 0.00 0.00 43.42 39.73 1c8u n LEU 31 CO 0.00 -0.44 0.74 -0.09 -1.33 0.00 0.00 177.39 176.28 1c8u h ARG 32 N 1.16 0.35 -7.01 3.23 2.43 -1.95 -3.43 114.38 109.17 1c8u h ARG 32 Ca 0.00 -0.12 -0.54 0.00 -0.81 0.00 0.00 59.98 58.51 1c8u h ARG 32 Cb 0.00 -0.03 0.11 0.00 -0.42 0.00 0.00 29.97 29.63 1c8u h ARG 32 CO 0.00 0.57 0.61 -1.14 -1.51 0.00 0.00 179.97 178.50 1c8u s GLN 33 N -4.93 3.51 0.30 0.20 0.74 -1.26 -2.63 119.66 115.59 1c8u s GLN 33 Ca -0.14 2.19 -0.29 0.00 0.05 0.00 0.00 55.36 57.17 1c8u s GLN 33 Cb 0.06 -2.46 -0.11 0.00 1.10 0.00 0.00 33.01 31.61 1c8u s GLN 33 CO 0.73 -0.88 1.49 0.08 -0.55 0.00 0.00 175.29 176.16 1c8u s VAL 34 N -1.31 2.33 0.10 1.34 1.01 0.51 -4.73 120.40 119.65 1c8u s VAL 34 Ca 0.65 0.30 -0.30 0.00 0.00 0.00 0.00 61.98 62.63 1c8u s VAL 34 Cb -0.39 -3.19 -0.06 0.00 0.00 0.00 0.00 36.38 32.74 1c8u s VAL 34 CO 0.48 0.06 1.16 0.12 0.00 0.00 0.00 175.10 176.92 1c8u s PHE 35 N -0.37 3.49 0.30 5.22 5.36 -1.26 -4.70 117.98 126.01 1c8u s PHE 35 Ca 0.58 1.41 0.04 0.00 -0.96 0.00 0.00 56.93 58.00 1c8u s PHE 35 Cb -0.45 -3.37 0.65 0.00 -0.34 0.00 0.00 43.02 39.51 1c8u s PHE 35 CO 0.50 -1.04 1.82 0.78 -1.46 0.00 0.00 175.22 175.82 1c8u h GLY 36 N 6.22 1.67 0.88 13.12 0.00 -1.94 -1.00 103.07 122.02 1c8u h GLY 36 Ca -0.43 -0.39 0.10 0.00 0.00 0.00 0.00 47.33 46.62 1c8u h GLY 36 CO 0.78 0.07 0.48 -1.33 0.00 0.00 0.00 176.54 176.54 1c8u h GLY 37 N 0.89 0.86 0.94 4.60 0.00 -1.88 -1.08 103.07 107.39 1c8u h GLY 37 Ca 0.53 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.59 1c8u h GLY 37 CO -0.30 0.14 0.15 -1.61 0.00 0.00 0.00 176.54 174.92 1c8u h GLN 38 N 0.59 0.52 -0.21 4.80 4.15 -1.48 0.27 115.11 123.75 1c8u h GLN 38 Ca 0.34 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.66 1c8u h GLN 38 Cb 0.52 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 28.11 1c8u h GLN 38 CO -0.12 0.49 0.08 0.28 -1.93 0.00 0.00 178.83 177.63 1c8u h VAL 39 N 0.42 1.17 -0.19 2.39 2.07 -1.29 -0.29 116.25 120.53 1c8u h VAL 39 Ca 0.12 -0.53 0.02 0.00 0.82 0.00 0.00 66.70 67.12 1c8u h VAL 39 Cb 0.16 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 1c8u h VAL 39 CO -0.01 0.17 0.08 0.58 0.02 0.00 0.00 177.57 178.40 1c8u h VAL 40 N 0.17 0.97 -0.40 2.57 2.07 -1.12 0.13 116.25 120.66 1c8u h VAL 40 Ca 0.07 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 1c8u h VAL 40 Cb 0.20 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1c8u h VAL 40 CO -0.00 0.03 0.24 1.23 0.02 0.00 0.00 177.57 179.08 1c8u h GLY 41 N 0.17 0.57 1.34 2.17 0.00 -0.82 -1.78 103.07 104.72 1c8u h GLY 41 Ca 0.08 -0.24 -0.11 0.00 0.00 0.00 0.00 47.33 47.06 1c8u h GLY 41 CO -0.07 0.23 -0.21 1.46 0.00 0.00 0.00 176.54 177.95 1c8u h GLN 42 N 0.52 0.77 -0.59 4.80 4.20 -0.82 -2.21 115.11 121.78 1c8u h GLN 42 Ca 0.14 -0.30 -0.08 0.00 0.06 0.00 0.00 58.65 58.47 1c8u h GLN 42 Cb 0.01 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1c8u h GLN 42 CO -0.03 0.91 0.06 0.00 -0.67 0.00 0.00 178.83 179.11 1c8u h ALA 43 N 1.09 1.00 -0.52 3.87 0.00 -0.56 -1.69 119.26 122.45 1c8u h ALA 43 Ca 0.10 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1c8u h ALA 43 Cb 0.71 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1c8u h ALA 43 CO 0.05 0.63 0.06 -0.07 0.00 0.00 0.00 179.25 179.92 1c8u h LEU 44 N 0.91 0.84 0.10 0.00 3.38 -1.15 -0.42 115.31 118.97 1c8u h LEU 44 Ca 0.18 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.88 1c8u h LEU 44 Cb 0.45 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1c8u h LEU 44 CO 0.02 0.90 -0.13 0.22 0.09 0.00 0.00 178.44 179.54 1c8u h TYR 45 N 0.75 -0.33 -0.38 1.13 3.20 -1.11 0.31 116.97 120.53 1c8u h TYR 45 Ca 0.15 0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.10 1c8u h TYR 45 Cb 0.43 0.13 -0.07 0.00 1.54 0.00 0.00 36.73 38.77 1c8u h TYR 45 CO 0.03 -0.19 -0.05 0.00 -1.64 0.00 0.00 178.16 176.30 1c8u h ALA 46 N 0.61 0.30 -0.04 1.82 0.00 -1.10 -1.75 119.26 119.10 1c8u h ALA 46 Ca 0.01 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 1c8u h ALA 46 Cb 0.27 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1c8u h ALA 46 CO -0.06 -0.43 0.03 0.00 0.00 0.00 0.00 179.25 178.79 1c8u h ALA 47 N 1.36 0.06 0.00 0.00 0.00 -0.75 -2.83 119.26 117.10 1c8u h ALA 47 Ca 0.19 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1c8u h ALA 47 Cb 0.28 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 1c8u h ALA 47 CO -0.36 -0.42 -0.05 1.57 0.00 0.00 0.00 179.25 180.00 1c8u h LYS 48 N 0.01 0.00 0.00 0.00 5.09 -0.56 -1.38 116.57 119.72 1c8u h LYS 48 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.74 1c8u h LYS 48 Cb 0.06 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.38 1c8u h LYS 48 CO -0.00 0.05 -0.07 0.93 -2.09 0.00 0.00 179.45 178.27 1c8u h GLU 49 N 0.00 0.00 -0.67 0.07 4.39 -1.06 -2.73 114.58 114.57 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 0.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1c8u h GLU 49 CO 0.01 0.07 0.00 0.25 -1.16 0.00 0.00 179.01 178.17 1c8u n THR 50 N -3.21 0.97 -4.44 1.13 -2.24 -0.52 -4.96 114.28 101.00 1c8u n THR 50 Ca 0.00 -0.99 -0.31 0.00 -2.27 0.00 0.00 64.05 60.49 1c8u n THR 50 Cb 0.33 0.53 -0.11 0.00 -2.10 0.00 0.00 70.33 68.97 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 -1.02 3.18 0.35 2.28 1.01 -1.03 -5.09 120.40 120.08 1c8u s VAL 51 Ca 0.46 -1.15 -0.26 0.00 0.00 0.00 0.00 61.98 61.03 1c8u s VAL 51 Cb 0.24 -2.41 -0.13 0.00 0.00 0.00 0.00 36.38 34.08 1c8u s VAL 51 CO 0.31 0.25 0.94 -2.65 0.00 0.00 0.00 175.10 173.96 1c8u n PRO 52 N 1.20 1.22 -0.35 2.72 -0.02 -1.26 -4.86 135.00 133.66 1c8u n PRO 52 Ca -0.15 0.43 0.07 0.00 -2.02 0.00 0.00 63.50 61.83 1c8u n PRO 52 Cb 0.52 -1.85 0.25 0.00 -0.02 0.00 0.00 33.50 32.40 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 1.67 0.96 0.00 -0.52 4.81 -1.98 -2.52 114.58 117.00 1c8u h GLU 53 Ca -0.41 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1c8u h GLU 53 Cb 1.35 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 30.51 1c8u h GLU 53 CO 0.58 0.64 0.00 1.49 -0.73 0.00 0.00 179.01 180.99 1c8u h GLU 54 N 0.99 0.00 -5.45 1.92 4.81 -1.97 -3.42 114.58 111.45 1c8u h GLU 54 Ca 0.48 0.00 -0.65 0.00 -0.13 0.00 0.00 59.36 59.07 1c8u h GLU 54 Cb 0.46 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 29.70 1c8u h GLU 54 CO -0.25 0.00 0.15 1.03 -0.73 0.00 0.00 179.01 179.21 1c8u s ARG 55 N -3.31 3.37 0.13 1.92 0.52 -0.95 -4.10 118.95 116.54 1c8u s ARG 55 Ca 0.06 -0.27 -0.13 0.00 -0.52 0.00 0.00 55.73 54.87 1c8u s ARG 55 Cb 0.10 -3.92 -0.07 0.00 0.52 0.00 0.00 34.95 31.58 1c8u s ARG 55 CO 0.49 -0.96 0.52 -0.51 0.02 0.00 0.00 175.30 174.85 1c8u s LEU 56 N 2.84 4.34 0.29 2.53 1.43 0.13 -4.54 118.68 125.69 1c8u s LEU 56 Ca 0.24 1.02 -0.30 0.00 -1.03 0.00 0.00 54.13 54.06 1c8u s LEU 56 Cb -0.14 -3.21 -0.11 0.00 0.03 0.00 0.00 46.19 42.76 1c8u s LEU 56 CO 0.18 0.12 1.48 0.54 0.23 0.00 0.00 176.35 178.90 1c8u s VAL 57 N -1.45 2.39 -0.00 -1.59 0.11 -1.26 -1.14 120.40 117.46 1c8u s VAL 57 Ca 0.37 0.35 0.00 0.00 -2.93 0.00 0.00 61.98 59.76 1c8u s VAL 57 Cb -0.15 -3.22 -0.00 0.00 -1.53 0.00 0.00 36.38 31.48 1c8u s VAL 57 CO 0.19 0.06 0.00 0.00 -3.33 0.00 0.00 175.10 172.02 1c8u n HIS 58 N 1.85 0.00 -3.53 1.54 1.44 -0.30 -4.71 115.22 111.51 1c8u n HIS 58 Ca 0.06 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.69 1c8u n HIS 58 Cb 0.39 -0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.48 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 -1.35 -0.30 -0.06 4.39 1.04 -1.20 -0.78 113.70 115.44 1c8u s SER 59 Ca 0.00 0.00 -0.31 0.00 0.48 0.00 0.00 55.95 56.13 1c8u s SER 59 Cb 0.00 0.32 0.08 0.00 0.10 0.00 0.00 66.02 66.52 1c8u s SER 59 CO 0.00 -0.51 0.73 0.72 0.98 0.00 0.00 173.24 175.16 1c8u s PHE 60 N -2.91 -0.60 0.04 5.02 -0.12 -0.25 -1.06 117.98 118.09 1c8u s PHE 60 Ca 0.06 1.01 0.07 0.00 -0.05 0.00 0.00 56.93 58.02 1c8u s PHE 60 Cb -0.01 0.42 -0.02 0.00 -0.63 0.00 0.00 43.02 42.78 1c8u s PHE 60 CO -0.08 -0.57 -0.19 -1.01 -0.05 0.00 0.00 175.22 173.32 1c8u s HIS 61 N -1.27 1.71 0.01 3.49 3.76 -0.35 -1.51 115.29 121.12 1c8u s HIS 61 Ca -0.09 -0.36 -0.17 0.00 -0.15 0.00 0.00 55.06 54.28 1c8u s HIS 61 Cb -0.00 -1.02 0.03 0.00 1.11 0.00 0.00 32.58 32.70 1c8u s HIS 61 CO 0.08 0.07 0.38 -1.54 -0.85 0.00 0.00 174.74 172.88 1c8u s SER 62 N -1.10 -0.26 -0.00 1.40 1.04 -0.72 -1.05 113.70 113.00 1c8u s SER 62 Ca 0.06 0.09 0.05 0.00 0.48 0.00 0.00 55.95 56.63 1c8u s SER 62 Cb -0.08 0.37 -0.01 0.00 0.10 0.00 0.00 66.02 66.40 1c8u s SER 62 CO 0.01 -0.55 -0.15 -0.31 0.98 0.00 0.00 173.24 173.23 1c8u s TYR 63 N -1.82 1.31 -0.21 5.02 1.51 -0.32 -1.59 117.35 121.26 1c8u s TYR 63 Ca -0.10 -0.26 -0.08 0.00 -1.01 0.00 0.00 57.07 55.63 1c8u s TYR 63 Cb -0.03 -0.83 -0.04 0.00 -0.11 0.00 0.00 41.96 40.95 1c8u s TYR 63 CO 0.02 -0.01 0.08 -0.06 -1.11 0.00 0.00 175.55 174.46 1c8u s PHE 64 N -0.40 3.22 -0.18 2.71 0.40 0.77 -1.57 117.98 122.94 1c8u s PHE 64 Ca 0.05 -0.02 0.13 0.00 -0.60 0.00 0.00 56.93 56.50 1c8u s PHE 64 Cb -0.06 -2.14 -0.20 0.00 0.51 0.00 0.00 43.02 41.13 1c8u s PHE 64 CO -0.00 0.02 0.02 1.28 0.70 0.00 0.00 175.22 177.24 1c8u n LEU 65 N 3.96 0.43 -3.82 -0.37 4.77 0.46 -4.77 117.00 117.66 1c8u n LEU 65 Ca -0.16 -0.02 -0.11 0.00 -0.03 0.00 0.00 56.01 55.69 1c8u n LEU 65 Cb 0.52 0.25 -0.09 0.00 -2.33 0.00 0.00 43.42 41.78 1c8u n LEU 65 CO 0.34 0.49 -0.08 -0.13 -1.33 0.00 0.00 177.39 176.68 1c8u s ARG 66 N -2.42 0.66 0.45 3.23 0.52 -1.14 -5.03 118.95 115.23 1c8u s ARG 66 Ca -0.11 -0.49 -0.24 0.00 -0.52 0.00 0.00 55.73 54.36 1c8u s ARG 66 Cb 0.05 0.28 -0.08 0.00 0.52 0.00 0.00 34.95 35.73 1c8u s ARG 66 CO 0.67 -0.19 1.28 -1.25 0.02 0.00 0.00 175.30 175.83 1c8u s PRO 67 N -2.11 3.75 0.01 3.54 0.04 -1.26 -4.80 135.00 134.16 1c8u s PRO 67 Ca -0.08 2.07 -0.12 0.00 0.04 0.00 0.00 61.00 62.91 1c8u s PRO 67 Cb -0.03 -2.57 -0.05 0.00 0.04 0.00 0.00 34.50 31.89 1c8u s PRO 67 CO -0.01 -0.65 0.37 0.20 0.04 0.00 0.00 177.00 176.95 1c8u s GLY 68 N -0.94 2.39 -0.41 0.56 0.00 -1.26 -4.98 107.32 102.68 1c8u s GLY 68 Ca 0.61 -0.33 -0.17 0.00 0.00 0.00 0.00 44.72 44.83 1c8u s GLY 68 CO 0.45 -0.02 0.44 -0.35 0.00 0.00 0.00 173.10 173.62 1c8u s ASP 69 N -1.28 6.21 0.10 1.64 3.68 -1.26 -0.37 116.67 125.39 1c8u s ASP 69 Ca 0.25 -0.56 0.16 0.00 2.13 0.00 0.00 52.55 54.53 1c8u s ASP 69 Cb -0.15 -2.23 0.69 0.00 -1.45 0.00 0.00 42.92 39.78 1c8u s ASP 69 CO 0.14 -0.55 1.49 -1.54 0.13 0.00 0.00 175.17 174.84 1c8u n SER 70 N 5.62 0.23 0.00 -0.34 3.41 -1.08 -1.73 113.62 119.73 1c8u n SER 70 Ca -0.07 0.56 0.13 0.00 -0.26 0.00 0.00 58.87 59.23 1c8u n SER 70 Cb 0.48 -0.61 0.64 0.00 -0.26 0.00 0.00 64.21 64.46 1c8u n SER 70 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1c8u n LYS 71 N -1.76 0.29 -4.26 4.33 5.02 -1.26 -4.48 118.16 116.04 1c8u n LYS 71 Ca 0.02 0.04 -0.17 0.00 -2.02 0.00 0.00 58.31 56.19 1c8u n LYS 71 Cb 0.16 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.56 1c8u n LYS 71 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1c8u s LYS 72 N -2.67 1.07 0.93 1.97 1.02 -0.70 -5.05 119.74 116.31 1c8u s LYS 72 Ca 0.22 -1.35 -0.14 0.00 0.02 0.00 0.00 55.97 54.72 1c8u s LYS 72 Cb 0.18 -0.85 0.15 0.00 -0.52 0.00 0.00 37.83 36.79 1c8u s LYS 72 CO 0.42 0.14 1.20 -1.25 -0.92 0.00 0.00 175.35 174.94 1c8u s PRO 73 N -3.12 0.99 -0.03 -1.68 0.04 -1.26 -4.33 135.00 125.61 1c8u s PRO 73 Ca 0.13 0.01 0.03 0.00 0.04 0.00 0.00 61.00 61.21 1c8u s PRO 73 Cb -0.02 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.67 1c8u s PRO 73 CO 0.03 -2.25 -0.11 0.42 0.04 0.00 0.00 177.00 175.13 1c8u s ILE 74 N -3.51 0.92 -0.17 0.56 1.01 0.64 -4.82 121.20 115.84 1c8u s ILE 74 Ca 0.67 -0.44 -0.12 0.00 0.00 0.00 0.00 60.65 60.76 1c8u s ILE 74 Cb -0.10 -0.81 -0.05 0.00 0.01 0.00 0.00 42.46 41.51 1c8u s ILE 74 CO 0.52 0.28 0.21 -0.63 0.00 0.00 0.00 174.94 175.33 1c8u s ILE 75 N 0.14 5.36 -0.22 2.92 1.09 -0.30 -0.27 121.20 129.91 1c8u s ILE 75 Ca -0.03 0.37 -0.03 0.00 -1.10 0.00 0.00 60.65 59.87 1c8u s ILE 75 Cb -0.09 -3.55 -0.00 0.00 -1.06 0.00 0.00 42.46 37.76 1c8u s ILE 75 CO 0.01 0.44 -0.06 -0.31 -0.10 0.00 0.00 174.94 174.91 1c8u s TYR 76 N 0.25 2.94 -0.27 3.97 1.51 0.06 0.29 117.35 126.10 1c8u s TYR 76 Ca 0.13 -1.09 -0.04 0.00 -1.01 0.00 0.00 57.07 55.06 1c8u s TYR 76 Cb -0.12 -2.08 0.02 0.00 -0.11 0.00 0.00 41.96 39.67 1c8u s TYR 76 CO 0.02 -0.60 0.01 0.34 -1.11 0.00 0.00 175.55 174.20 1c8u s ASP 77 N 1.44 4.72 -0.11 2.29 2.15 -0.24 -0.52 116.67 126.41 1c8u s ASP 77 Ca 0.05 -0.80 -0.15 0.00 0.43 0.00 0.00 52.55 52.08 1c8u s ASP 77 Cb -0.14 -1.77 -0.05 0.00 -0.30 0.00 0.00 42.92 40.66 1c8u s ASP 77 CO -0.05 -0.16 0.36 -0.69 -0.17 0.00 0.00 175.17 174.46 1c8u s VAL 78 N 1.41 5.22 -0.12 1.11 1.01 0.35 -1.28 120.40 128.09 1c8u s VAL 78 Ca 0.01 0.71 0.00 0.00 0.00 0.00 0.00 61.98 62.70 1c8u s VAL 78 Cb -0.17 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 1c8u s VAL 78 CO -0.01 0.42 -0.14 -0.70 0.00 0.00 0.00 175.10 174.67 1c8u s GLU 79 N 0.13 3.33 -0.31 2.72 2.12 0.84 -4.86 118.70 122.68 1c8u s GLU 79 Ca 0.21 -0.70 -0.26 0.00 0.36 0.00 0.00 54.97 54.57 1c8u s GLU 79 Cb -0.14 -2.60 0.01 0.00 0.26 0.00 0.00 34.13 31.66 1c8u s GLU 79 CO 0.08 0.23 0.94 0.99 -0.54 0.00 0.00 175.26 176.96 1c8u s THR 80 N 0.31 4.65 -0.12 -1.70 2.01 -1.26 -1.04 115.64 118.49 1c8u s THR 80 Ca -0.11 1.50 -0.00 0.00 0.31 0.00 0.00 61.69 63.39 1c8u s THR 80 Cb -0.16 -4.29 -0.24 0.00 0.01 0.00 0.00 72.50 67.82 1c8u s THR 80 CO 0.06 -0.36 0.37 0.18 -0.69 0.00 0.00 174.62 174.18 1c8u n LEU 81 N 6.53 2.12 -3.60 4.42 4.77 -0.32 -4.98 117.00 125.95 1c8u n LEU 81 Ca 0.08 0.22 -0.08 0.00 -0.03 0.00 0.00 56.01 56.20 1c8u n LEU 81 Cb 0.47 -0.71 -0.05 0.00 -2.33 0.00 0.00 43.42 40.80 1c8u n LEU 81 CO 0.55 0.73 0.89 -0.60 -1.33 0.00 0.00 177.39 177.63 1c8u s ARG 82 N -2.56 0.42 -0.30 3.23 3.52 -1.12 -4.95 118.95 117.18 1c8u s ARG 82 Ca -0.19 0.14 -0.03 0.00 -0.13 0.00 0.00 55.73 55.53 1c8u s ARG 82 Cb 0.07 0.20 0.10 0.00 -1.56 0.00 0.00 34.95 33.76 1c8u s ARG 82 CO 0.77 -0.12 0.13 -0.51 -0.81 0.00 0.00 175.30 174.76 1c8u s ASP 83 N -0.94 3.64 0.12 -2.12 -0.00 -1.26 -0.65 116.67 115.47 1c8u s ASP 83 Ca 0.02 -1.48 0.02 0.00 -0.00 0.00 0.00 52.55 51.10 1c8u s ASP 83 Cb -0.01 -0.52 0.02 0.00 -0.00 0.00 0.00 42.92 42.41 1c8u s ASP 83 CO -0.02 -0.42 0.15 0.61 -0.00 0.00 0.00 175.17 175.48 1c8u n GLY 84 N 5.01 2.26 0.25 0.21 0.00 0.72 -4.99 105.19 108.65 1c8u n GLY 84 Ca -0.03 -2.17 0.17 0.00 0.00 0.00 0.00 46.02 43.99 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 0.06 0.00 0.00 1.61 -0.26 -2.03 -3.37 115.58 111.59 1c8u h ASN 85 Ca -0.06 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.68 1c8u h ASN 85 Cb 0.27 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.53 1c8u h ASN 85 CO 0.09 0.00 -0.45 -1.20 -1.06 0.00 0.00 177.43 174.81 1c8u n SER 86 N -2.76 0.14 -4.81 5.81 7.64 -1.26 -5.05 113.62 113.33 1c8u n SER 86 Ca -0.01 0.00 -0.34 0.00 1.01 0.00 0.00 58.87 59.53 1c8u n SER 86 Cb 0.15 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.28 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 -1.96 3.38 -0.08 1.43 0.40 -1.26 -3.99 117.98 115.91 1c8u s PHE 87 Ca 0.00 0.29 0.04 0.00 -0.60 0.00 0.00 56.93 56.66 1c8u s PHE 87 Cb 0.00 -1.80 0.00 0.00 0.51 0.00 0.00 43.02 41.73 1c8u s PHE 87 CO 0.00 0.59 -0.20 -1.12 0.70 0.00 0.00 175.22 175.20 1c8u s SER 88 N -1.55 2.58 -0.00 1.36 0.01 -0.50 -0.20 113.70 115.39 1c8u s SER 88 Ca 0.21 -0.45 0.07 0.00 1.31 0.00 0.00 55.95 57.09 1c8u s SER 88 Cb -0.12 -1.06 -0.02 0.00 0.21 0.00 0.00 66.02 65.03 1c8u s SER 88 CO 0.12 0.13 -0.23 0.00 0.41 0.00 0.00 173.24 173.67 1c8u s ALA 89 N 0.33 1.89 0.01 1.44 0.00 0.17 -0.02 121.76 125.59 1c8u s ALA 89 Ca -0.14 -1.01 -0.00 0.00 0.00 0.00 0.00 51.96 50.81 1c8u s ALA 89 Cb -0.16 -0.46 -0.01 0.00 0.00 0.00 0.00 23.12 22.49 1c8u s ALA 89 CO 0.06 0.46 -0.01 1.03 0.00 0.00 0.00 175.76 177.29 1c8u s ARG 90 N -0.69 0.20 -0.12 0.00 1.81 -0.55 -1.17 118.95 118.44 1c8u s ARG 90 Ca 0.09 -0.38 0.02 0.00 -1.72 0.00 0.00 55.73 53.74 1c8u s ARG 90 Cb -0.09 0.07 -0.00 0.00 -0.45 0.00 0.00 34.95 34.48 1c8u s ARG 90 CO -0.00 -0.03 -0.20 0.50 -0.68 0.00 0.00 175.30 174.88 1c8u s ARG 91 N -0.93 3.15 -0.15 3.54 3.52 -0.21 -0.71 118.95 127.16 1c8u s ARG 91 Ca -0.10 -0.82 -0.01 0.00 -0.13 0.00 0.00 55.73 54.67 1c8u s ARG 91 Cb -0.06 -2.42 -0.01 0.00 -1.56 0.00 0.00 34.95 30.89 1c8u s ARG 91 CO -0.01 0.16 -0.12 0.08 -0.81 0.00 0.00 175.30 174.61 1c8u s VAL 92 N 0.43 3.10 -0.21 7.11 1.01 0.26 -0.11 120.40 131.98 1c8u s VAL 92 Ca -0.15 -0.63 -0.07 0.00 0.00 0.00 0.00 61.98 61.13 1c8u s VAL 92 Cb -0.17 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.86 1c8u s VAL 92 CO 0.06 0.51 0.05 0.00 0.00 0.00 0.00 175.10 175.72 1c8u s ALA 93 N 0.57 3.20 -0.29 5.51 0.00 -0.40 -1.30 121.76 129.04 1c8u s ALA 93 Ca -0.07 -0.96 -0.12 0.00 0.00 0.00 0.00 51.96 50.81 1c8u s ALA 93 Cb -0.15 -1.93 -0.04 0.00 0.00 0.00 0.00 23.12 21.00 1c8u s ALA 93 CO 0.03 -0.16 0.24 0.00 0.00 0.00 0.00 175.76 175.88 1c8u s ALA 94 N 1.01 3.53 -0.01 0.00 0.00 -0.11 -1.07 121.76 125.10 1c8u s ALA 94 Ca 0.03 -1.11 0.07 0.00 0.00 0.00 0.00 51.96 50.94 1c8u s ALA 94 Cb -0.14 -2.57 -0.03 0.00 0.00 0.00 0.00 23.12 20.38 1c8u s ALA 94 CO 0.03 -0.68 -0.21 0.42 0.00 0.00 0.00 175.76 175.32 1c8u s ILE 95 N 1.82 2.54 -0.22 0.00 1.01 0.14 -0.50 121.20 125.99 1c8u s ILE 95 Ca 0.08 -1.03 -0.12 0.00 0.00 0.00 0.00 60.65 59.59 1c8u s ILE 95 Cb -0.16 -1.97 0.07 0.00 0.01 0.00 0.00 42.46 40.41 1c8u s ILE 95 CO 0.11 0.51 0.53 -1.58 0.00 0.00 0.00 174.94 174.51 1c8u s GLN 96 N -0.88 0.52 -0.97 2.79 0.74 -0.61 -1.15 119.66 120.10 1c8u s GLN 96 Ca 0.12 1.01 -0.06 0.00 0.05 0.00 0.00 55.36 56.47 1c8u s GLN 96 Cb -0.10 0.10 0.01 0.00 1.10 0.00 0.00 33.01 34.11 1c8u s GLN 96 CO 0.01 -0.16 0.85 0.09 -0.55 0.00 0.00 175.29 175.52 1c8u n ASN 97 N 4.41 -4.97 -0.75 6.67 3.02 -1.26 -2.72 115.26 119.66 1c8u n ASN 97 Ca -0.21 -0.39 -0.10 0.00 -0.03 0.00 0.00 54.58 53.85 1c8u n ASN 97 Cb 0.56 -3.77 -0.04 0.00 -0.61 0.00 0.00 39.78 35.92 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 -1.56 0.99 3.01 7.41 0.00 -1.26 -4.96 105.19 108.81 1c8u n GLY 98 Ca -0.01 -0.09 -0.12 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 -2.69 0.42 0.09 1.61 3.01 -1.10 -5.12 119.74 115.95 1c8u s LYS 99 Ca 0.00 -0.56 -0.30 0.00 -1.01 0.00 0.00 55.97 54.10 1c8u s LYS 99 Cb 0.00 -0.20 -0.06 0.00 -1.01 0.00 0.00 37.83 36.57 1c8u s LYS 99 CO 0.00 0.03 1.12 -1.25 0.51 0.00 0.00 175.35 175.77 1c8u s PRO 100 N -1.16 4.51 -0.00 -1.68 0.04 -1.26 -1.57 135.00 133.88 1c8u s PRO 100 Ca -0.08 1.69 0.14 0.00 0.04 0.00 0.00 61.00 62.79 1c8u s PRO 100 Cb -0.08 -3.34 -0.17 0.00 0.04 0.00 0.00 34.50 30.95 1c8u s PRO 100 CO -0.00 -0.10 0.59 0.44 0.04 0.00 0.00 177.00 177.97 1c8u n ILE 101 N 3.37 0.00 -3.60 0.56 -5.35 0.34 -4.56 119.36 110.13 1c8u n ILE 101 Ca 0.06 -0.18 -0.10 0.00 -0.27 0.00 0.00 62.75 62.27 1c8u n ILE 101 Cb 0.47 0.92 -0.06 0.00 -1.74 0.00 0.00 39.64 39.23 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 -2.44 -0.38 -0.01 4.28 5.36 -1.21 -0.40 117.98 123.19 1c8u s PHE 102 Ca 0.04 0.75 0.03 0.00 -0.96 0.00 0.00 56.93 56.80 1c8u s PHE 102 Cb 0.11 0.43 -0.01 0.00 -0.34 0.00 0.00 43.02 43.21 1c8u s PHE 102 CO 0.60 -0.29 -0.09 0.71 -1.46 0.00 0.00 175.22 174.68 1c8u s TYR 103 N -0.69 0.84 0.00 10.12 1.51 -0.61 -0.93 117.35 127.60 1c8u s TYR 103 Ca 0.00 -0.16 0.01 0.00 -1.01 0.00 0.00 57.07 55.91 1c8u s TYR 103 Cb -0.02 -0.54 -0.01 0.00 -0.11 0.00 0.00 41.96 41.29 1c8u s TYR 103 CO -0.01 -0.01 -0.05 1.41 -1.11 0.00 0.00 175.55 175.77 1c8u s MET 104 N -0.24 0.38 -0.11 -0.62 1.75 -0.42 -1.17 119.30 118.87 1c8u s MET 104 Ca 0.03 -0.26 0.02 0.00 -1.25 0.00 0.00 55.69 54.23 1c8u s MET 104 Cb -0.04 -0.32 0.01 0.00 2.84 0.00 0.00 34.83 37.32 1c8u s MET 104 CO -0.00 0.08 -0.16 0.99 -0.65 0.00 0.00 175.02 175.28 1c8u s THR 105 N -0.33 1.60 0.08 10.11 2.01 -0.22 0.90 115.64 129.79 1c8u s THR 105 Ca -0.01 -0.70 0.08 0.00 0.31 0.00 0.00 61.69 61.37 1c8u s THR 105 Cb -0.03 -1.45 -0.03 0.00 0.01 0.00 0.00 72.50 71.00 1c8u s THR 105 CO -0.00 0.46 -0.20 0.00 -0.69 0.00 0.00 174.62 174.19 1c8u s ALA 106 N 0.95 1.70 -0.04 7.40 0.00 0.11 -1.21 121.76 130.67 1c8u s ALA 106 Ca -0.07 -1.16 0.06 0.00 0.00 0.00 0.00 51.96 50.79 1c8u s ALA 106 Cb -0.15 -0.25 -0.02 0.00 0.00 0.00 0.00 23.12 22.70 1c8u s ALA 106 CO -0.02 0.34 -0.21 0.45 0.00 0.00 0.00 175.76 176.33 1c8u s SER 107 N -1.69 3.48 0.09 0.00 0.15 -0.22 -1.49 113.70 114.03 1c8u s SER 107 Ca 0.06 -0.35 0.08 0.00 0.70 0.00 0.00 55.95 56.44 1c8u s SER 107 Cb -0.10 -0.60 -0.03 0.00 -1.71 0.00 0.00 66.02 63.58 1c8u s SER 107 CO 0.03 0.32 -0.22 -0.36 1.20 0.00 0.00 173.24 174.22 1c8u s PHE 108 N -0.62 1.92 -0.03 3.44 0.40 0.97 -1.15 117.98 122.90 1c8u s PHE 108 Ca 0.10 -0.40 -0.14 0.00 -0.60 0.00 0.00 56.93 55.89 1c8u s PHE 108 Cb -0.11 -1.08 0.02 0.00 0.51 0.00 0.00 43.02 42.37 1c8u s PHE 108 CO -0.00 0.19 0.30 -1.14 0.70 0.00 0.00 175.22 175.27 1c8u s GLN 109 N -1.69 0.61 0.45 0.44 0.74 -0.29 -1.41 119.66 118.51 1c8u s GLN 109 Ca 0.08 -0.10 -0.20 0.00 0.05 0.00 0.00 55.36 55.19 1c8u s GLN 109 Cb -0.10 0.27 -0.10 0.00 1.10 0.00 0.00 33.01 34.18 1c8u s GLN 109 CO 0.04 -0.16 0.96 0.00 -0.55 0.00 0.00 175.29 175.58 1c8u s ALA 110 N -1.09 3.05 0.73 1.58 0.00 -1.26 -0.70 121.76 124.08 1c8u s ALA 110 Ca -0.11 0.33 -0.16 0.00 0.00 0.00 0.00 51.96 52.01 1c8u s ALA 110 Cb -0.05 -3.13 -0.03 0.00 0.00 0.00 0.00 23.12 19.91 1c8u s ALA 110 CO 0.03 0.03 0.60 -2.30 0.00 0.00 0.00 175.76 174.12 1c8u n PRO 111 N -0.91 0.31 -3.55 0.00 -0.02 -1.26 -4.93 135.00 124.63 1c8u n PRO 111 Ca 0.07 0.15 -0.13 0.00 -2.02 0.00 0.00 63.50 61.56 1c8u n PRO 111 Cb 0.54 -1.89 -0.05 0.00 -0.02 0.00 0.00 33.50 32.07 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 -2.88 0.78 0.08 -0.52 2.12 -1.26 -5.15 118.70 111.87 1c8u s GLU 112 Ca 0.66 0.17 -0.18 0.00 0.36 0.00 0.00 54.97 55.99 1c8u s GLU 112 Cb -0.34 0.37 -0.07 0.00 0.26 0.00 0.00 34.13 34.34 1c8u s GLU 112 CO 0.57 -0.25 0.55 0.00 -0.54 0.00 0.00 175.26 175.60 1c8u s ALA 113 N -1.20 3.60 0.00 6.30 0.00 -1.26 -5.04 121.76 124.16 1c8u s ALA 113 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 51.90 1c8u s ALA 113 Cb -0.00 -2.60 0.00 0.00 0.00 0.00 0.00 23.12 20.52 1c8u s ALA 113 CO 0.04 0.41 0.00 0.41 0.00 0.00 0.00 175.76 176.63 1c8u n GLY 114 N 1.58 1.27 3.66 0.00 0.00 -1.26 -5.14 105.19 105.30 1c8u n GLY 114 Ca -0.10 -0.87 -0.45 0.00 0.00 0.00 0.00 46.02 44.61 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 1.98 -4.48 1.61 3.01 -1.26 -4.99 117.46 113.33 1c8u n PHE 115 Ca 0.00 0.52 -0.22 0.00 1.01 0.00 0.00 57.45 58.76 1c8u n PHE 115 Cb 0.00 -2.40 -0.16 0.00 -0.01 0.00 0.00 39.48 36.91 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 -0.86 1.26 -0.19 -1.08 0.41 -1.26 -5.12 118.70 111.87 1c8u s GLU 116 Ca 0.65 -0.35 -0.32 0.00 -0.41 0.00 0.00 54.97 54.54 1c8u s GLU 116 Cb -0.66 -1.12 0.15 0.00 -1.78 0.00 0.00 34.13 30.71 1c8u s GLU 116 CO 0.54 0.08 1.15 -3.38 -0.49 0.00 0.00 175.26 173.16 1c8u s HIS 117 N 0.40 -0.20 0.07 1.61 -3.43 -1.26 -5.19 115.29 107.30 1c8u s HIS 117 Ca -0.08 0.25 -0.24 0.00 -0.80 0.00 0.00 55.06 54.19 1c8u s HIS 117 Cb -0.12 0.49 0.06 0.00 -1.43 0.00 0.00 32.58 31.59 1c8u s HIS 117 CO 0.02 -0.23 0.59 1.14 -2.00 0.00 0.00 174.74 174.25 1c8u s GLN 118 N -1.76 1.15 0.53 -0.38 -2.07 -1.26 -5.12 119.66 110.75 1c8u s GLN 118 Ca 0.06 -0.23 -0.21 0.00 -1.82 0.00 0.00 55.36 53.15 1c8u s GLN 118 Cb -0.01 0.53 -0.05 0.00 -1.09 0.00 0.00 33.01 32.39 1c8u s GLN 118 CO -0.04 -0.44 1.26 0.21 -1.32 0.00 0.00 175.29 174.95 1c8u s LYS 119 N -2.75 3.30 0.15 9.60 2.20 -1.26 -4.97 119.74 126.02 1c8u s LYS 119 Ca -0.04 1.98 -0.30 0.00 -0.36 0.00 0.00 55.97 57.26 1c8u s LYS 119 Cb -0.01 -2.23 -0.07 0.00 -1.51 0.00 0.00 37.83 34.02 1c8u s LYS 119 CO -0.04 -0.98 1.02 0.99 -0.36 0.00 0.00 175.35 175.98 1c8u s THR 120 N -1.45 4.19 0.25 3.43 2.01 -1.26 -4.81 115.64 118.01 1c8u s THR 120 Ca 0.70 1.87 -0.31 0.00 0.31 0.00 0.00 61.69 64.27 1c8u s THR 120 Cb -0.34 -4.20 -0.12 0.00 0.01 0.00 0.00 72.50 67.85 1c8u s THR 120 CO 0.40 0.31 1.58 0.80 -0.69 0.00 0.00 174.62 177.02 1c8u n MET 121 N 2.52 2.53 -1.38 4.92 1.56 -1.26 -4.96 117.12 121.05 1c8u n MET 121 Ca 0.02 0.90 -0.32 0.00 -0.27 0.00 0.00 57.70 58.03 1c8u n MET 121 Cb 0.48 -2.67 0.09 0.00 2.15 0.00 0.00 33.22 33.26 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 -0.04 2.23 0.28 2.12 0.04 -1.26 -4.95 135.00 133.42 1c8u s PRO 122 Ca 0.68 1.43 -0.29 0.00 0.04 0.00 0.00 61.00 62.85 1c8u s PRO 122 Cb -0.55 -1.88 -0.10 0.00 0.04 0.00 0.00 34.50 32.02 1c8u s PRO 122 CO 0.45 -1.70 1.26 -1.54 0.04 0.00 0.00 177.00 175.51 1c8u s SER 123 N -2.72 6.92 -0.09 6.66 1.04 -1.26 -5.01 113.70 119.24 1c8u s SER 123 Ca 0.67 2.50 -0.29 0.00 0.48 0.00 0.00 55.95 59.31 1c8u s SER 123 Cb -0.22 -2.63 0.07 0.00 0.10 0.00 0.00 66.02 63.34 1c8u s SER 123 CO 0.49 -0.45 0.67 0.00 0.98 0.00 0.00 173.24 174.93 1c8u s ALA 124 N -0.73 -1.72 0.67 5.32 0.00 -1.26 -5.16 121.76 118.88 1c8u s ALA 124 Ca 0.50 1.41 -0.12 0.00 0.00 0.00 0.00 51.96 53.76 1c8u s ALA 124 Cb -0.37 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.51 1c8u s ALA 124 CO 0.45 -0.36 1.07 -1.25 0.00 0.00 0.00 175.76 175.67 1c8u s PRO 125 N -0.87 2.95 0.70 0.00 0.04 -1.26 -5.00 135.00 131.57 1c8u s PRO 125 Ca -0.09 1.08 -0.15 0.00 0.04 0.00 0.00 61.00 61.88 1c8u s PRO 125 Cb -0.01 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.56 1c8u s PRO 125 CO 0.08 -1.09 1.15 0.00 0.04 0.00 0.00 177.00 177.18 1c8u s ALA 126 N -2.82 2.28 -0.34 8.56 0.00 -1.26 -4.90 121.76 123.28 1c8u s ALA 126 Ca 0.60 0.68 0.27 0.00 0.00 0.00 0.00 51.96 53.51 1c8u s ALA 126 Cb -0.15 -3.39 1.06 0.00 0.00 0.00 0.00 23.12 20.64 1c8u s ALA 126 CO 0.49 -1.60 1.79 -1.00 0.00 0.00 0.00 175.76 175.44 1c8u h PRO 127 N -0.21 0.00 -0.64 0.00 0.13 -1.96 -3.37 132.00 125.95 1c8u h PRO 127 Ca -0.47 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.75 1c8u h PRO 127 Cb 1.27 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.29 1c8u h PRO 127 CO 0.52 0.00 -0.44 -0.44 -0.23 0.00 0.00 178.00 177.40 1c8u h ASP 128 N 0.00 -1.54 -0.01 1.44 3.45 -2.01 -2.05 116.42 115.70 1c8u h ASP 128 Ca 0.00 0.26 0.00 0.00 0.43 0.00 0.00 57.03 57.72 1c8u h ASP 128 Cb 0.46 0.71 0.00 0.00 -0.56 0.00 0.00 39.33 39.93 1c8u h ASP 128 CO 0.00 -0.32 0.00 0.61 -1.57 0.00 0.00 179.24 177.96 1c8u n GLY 129 N -1.40 -0.49 3.73 2.75 0.00 -1.26 -4.90 105.19 103.63 1c8u n GLY 129 Ca 0.02 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.99 4.38 0.54 0.99 1.43 -0.77 -5.06 118.68 118.20 1c8u s LEU 130 Ca 0.43 1.28 -0.16 0.00 -1.03 0.00 0.00 54.13 54.64 1c8u s LEU 130 Cb 0.21 -3.11 -0.06 0.00 0.03 0.00 0.00 46.19 43.26 1c8u s LEU 130 CO 0.35 -0.03 1.02 -2.16 0.23 0.00 0.00 176.35 175.75 1c8u s PRO 131 N 0.34 3.68 0.75 1.29 0.04 -1.26 -4.93 135.00 134.91 1c8u s PRO 131 Ca 0.37 1.08 -0.12 0.00 0.04 0.00 0.00 61.00 62.38 1c8u s PRO 131 Cb -0.19 -2.09 0.04 0.00 0.04 0.00 0.00 34.50 32.30 1c8u s PRO 131 CO 0.20 -0.50 1.12 -1.54 0.04 0.00 0.00 177.00 176.31 1c8u s SER 132 N -2.88 5.06 0.29 6.66 1.04 -1.26 -4.23 113.70 118.39 1c8u s SER 132 Ca 0.61 1.06 -0.01 0.00 0.48 0.00 0.00 55.95 58.09 1c8u s SER 132 Cb -0.13 -1.76 0.43 0.00 0.10 0.00 0.00 66.02 64.66 1c8u s SER 132 CO 0.33 -1.58 1.84 -0.33 0.98 0.00 0.00 173.24 174.48 1c8u h GLU 133 N -0.82 0.80 -0.61 4.02 5.08 -1.36 -0.42 114.58 121.26 1c8u h GLU 133 Ca -0.46 -0.16 -0.01 0.00 -1.00 0.00 0.00 59.36 57.74 1c8u h GLU 133 Cb 1.28 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 1c8u h GLU 133 CO 0.64 0.72 0.34 1.15 -1.00 0.00 0.00 179.01 180.85 1c8u h THR 134 N 0.78 1.20 -0.23 1.13 2.02 -1.93 0.10 112.91 115.98 1c8u h THR 134 Ca 0.17 -0.50 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 1c8u h THR 134 Cb 0.27 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 1c8u h THR 134 CO -0.00 0.22 0.11 1.56 0.37 0.00 0.00 175.52 177.77 1c8u h GLN 135 N 0.83 0.34 -0.68 6.66 4.20 -1.74 -1.44 115.11 123.28 1c8u h GLN 135 Ca 0.22 -0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.91 1c8u h GLN 135 Cb 0.05 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.72 1c8u h GLN 135 CO -0.03 0.36 0.42 0.82 -0.67 0.00 0.00 178.83 179.72 1c8u h ILE 136 N 0.24 1.08 -0.26 2.54 2.04 -0.69 -0.19 117.51 122.27 1c8u h ILE 136 Ca 0.08 -0.28 0.01 0.00 1.00 0.00 0.00 64.86 65.67 1c8u h ILE 136 Cb 0.13 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 1c8u h ILE 136 CO -0.01 0.15 0.15 0.00 0.00 0.00 0.00 178.15 178.44 1c8u h ALA 137 N 1.30 0.32 -0.90 1.87 0.00 -0.59 0.56 119.26 121.81 1c8u h ALA 137 Ca 0.28 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1c8u h ALA 137 Cb 0.04 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 1c8u h ALA 137 CO -0.12 -0.24 0.59 1.96 0.00 0.00 0.00 179.25 181.45 1c8u h GLN 138 N 0.31 1.13 0.18 0.00 4.20 -0.63 0.58 115.11 120.89 1c8u h GLN 138 Ca 0.10 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.73 1c8u h GLN 138 Cb -0.00 -0.26 0.00 0.00 0.30 0.00 0.00 27.48 27.52 1c8u h GLN 138 CO -0.05 0.75 -0.09 1.03 -0.67 0.00 0.00 178.83 179.81 1c8u h SER 139 N 1.17 -0.20 0.56 1.46 0.87 -0.45 -2.97 113.55 113.98 1c8u h SER 139 Ca 0.35 -0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 1c8u h SER 139 Cb -0.04 0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1c8u h SER 139 CO -0.10 0.07 -0.09 -0.07 -0.53 0.00 0.00 176.83 176.11 1c8u h LEU 140 N -0.48 0.00 -0.15 2.23 3.38 -0.69 -2.86 115.31 116.74 1c8u h LEU 140 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1c8u h LEU 140 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1c8u h LEU 140 CO 0.04 0.09 0.00 0.00 0.09 0.00 0.00 178.44 178.66 1c8u n ALA 141 N -2.19 2.65 -0.25 1.53 0.00 0.18 -4.64 120.51 117.77 1c8u n ALA 141 Ca -0.01 -0.22 -0.11 0.00 0.00 0.00 0.00 53.44 53.10 1c8u n ALA 141 Cb 0.26 -1.40 -0.02 0.00 0.00 0.00 0.00 19.45 18.29 1c8u n ALA 141 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1c8u n HIS 142 N -0.75 0.35 -3.78 0.00 8.25 -1.08 -4.69 115.22 113.52 1c8u n HIS 142 Ca 0.20 -0.85 -0.02 0.00 -0.26 0.00 0.00 57.72 56.79 1c8u n HIS 142 Cb 0.13 -0.88 -0.00 0.00 1.12 0.00 0.00 29.99 30.36 1c8u n HIS 142 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1c8u s LEU 143 N 0.07 -0.09 0.55 2.41 1.43 -1.26 -5.17 118.68 116.62 1c8u s LEU 143 Ca 0.18 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 1c8u s LEU 143 Cb 0.04 1.97 0.00 0.00 0.03 0.00 0.00 46.19 48.23 1c8u s LEU 143 CO 0.04 -0.80 0.00 0.18 0.23 0.00 0.00 176.35 176.00 1c8u n LEU 144 N -0.56 -0.94 -4.67 1.79 4.77 -1.26 -4.77 117.00 111.36 1c8u n LEU 144 Ca -0.05 2.18 -0.47 0.00 -0.03 0.00 0.00 56.01 57.64 1c8u n LEU 144 Cb 0.61 -3.40 -0.04 0.00 -2.33 0.00 0.00 43.42 38.25 1c8u n LEU 144 CO 0.16 -2.30 1.29 -2.65 -1.33 0.00 0.00 177.39 172.56 1c8u n PRO 145 N -4.22 2.18 0.00 3.23 -0.02 -1.26 -4.84 135.00 130.07 1c8u n PRO 145 Ca -0.07 0.79 0.01 0.00 -2.02 0.00 0.00 63.50 62.20 1c8u n PRO 145 Cb 0.65 -2.59 0.02 0.00 -0.02 0.00 0.00 33.50 31.57 1c8u n PRO 145 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1c8u n PRO 146 N 4.48 0.01 -0.34 0.52 -0.02 -1.26 -2.76 135.00 135.62 1c8u n PRO 146 Ca 0.19 0.37 0.20 0.00 -2.02 0.00 0.00 63.50 62.23 1c8u n PRO 146 Cb 0.29 -1.50 0.43 0.00 -0.02 0.00 0.00 33.50 32.70 1c8u n PRO 146 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1c8u h VAL 147 N 0.00 0.47 0.00 -1.45 2.07 -1.96 0.71 116.25 116.09 1c8u h VAL 147 Ca 0.00 -0.17 -0.20 0.00 0.82 0.00 0.00 66.70 67.15 1c8u h VAL 147 Cb 0.01 -0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 29.68 1c8u h VAL 147 CO 0.00 0.09 -2.06 0.18 0.02 0.00 0.00 177.57 175.80 1c8u n LEU 148 N -4.88 0.16 0.00 2.57 4.77 -1.11 -4.03 117.00 114.47 1c8u n LEU 148 Ca 0.28 0.07 0.09 0.00 -0.03 0.00 0.00 56.01 56.42 1c8u n LEU 148 Cb 0.83 0.24 0.43 0.00 -2.33 0.00 0.00 43.42 42.59 1c8u n LEU 148 CO 0.16 0.25 0.76 1.17 -1.33 0.00 0.00 177.39 178.40 1c8u n LYS 149 N -2.60 0.22 -2.07 3.23 4.81 0.62 -3.14 118.16 119.23 1c8u n LYS 149 Ca -0.18 0.13 -0.34 0.00 -0.87 0.00 0.00 58.31 57.05 1c8u n LYS 149 Cb 0.89 -1.50 0.03 0.00 0.02 0.00 0.00 35.03 34.46 1c8u n LYS 149 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1c8u n ASP 150 N -1.31 6.43 0.00 3.14 9.92 0.22 -4.48 116.55 130.47 1c8u n ASP 150 Ca 0.08 -3.79 0.00 0.00 -0.53 0.00 0.00 54.79 50.55 1c8u n ASP 150 Cb 0.15 -0.81 0.00 0.00 -0.64 0.00 0.00 41.12 39.81 1c8u n ASP 150 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1c8u n LYS 151 N -0.56 0.00 -3.07 -1.24 4.81 -1.19 -5.03 118.16 111.89 1c8u n LYS 151 Ca 0.49 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.52 1c8u n LYS 151 Cb 0.45 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.44 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 -1.41 3.19 0.33 5.64 5.36 -1.24 -5.02 117.98 124.83 1c8u s PHE 152 Ca 0.00 0.58 -0.14 0.00 -0.96 0.00 0.00 56.93 56.41 1c8u s PHE 152 Cb 0.00 -3.10 0.03 0.00 -0.34 0.00 0.00 43.02 39.61 1c8u s PHE 152 CO 0.00 -0.55 0.67 0.96 -1.46 0.00 0.00 175.22 174.85 1c8u s ILE 153 N 2.74 0.00 0.13 3.12 -4.36 -1.26 -4.92 121.20 116.64 1c8u s ILE 153 Ca 0.27 -1.17 -0.02 0.00 -0.26 0.00 0.00 60.65 59.47 1c8u s ILE 153 Cb -0.14 -2.54 0.19 0.00 1.25 0.00 0.00 42.46 41.22 1c8u s ILE 153 CO 0.13 0.00 0.67 0.00 0.24 0.00 0.00 174.94 175.98 1c8u n ASP 155 N -4.61 0.03 -4.29 0.00 2.03 -1.26 -4.92 116.55 103.52 1c8u n ASP 155 Ca 0.08 -0.51 -0.22 0.00 0.52 0.00 0.00 54.79 54.66 1c8u n ASP 155 Cb 0.26 -0.96 -0.12 0.00 -0.72 0.00 0.00 41.12 39.58 1c8u n ASP 155 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1c8u s ARG 156 N 8.05 1.15 0.45 -0.67 0.52 -1.26 -4.89 118.95 122.31 1c8u s ARG 156 Ca 1.22 -1.24 0.25 0.00 -0.52 0.00 0.00 55.73 55.45 1c8u s ARG 156 Cb -0.76 -1.29 0.94 0.00 0.52 0.00 0.00 34.95 34.36 1c8u s ARG 156 CO 0.43 0.28 1.83 -1.00 0.02 0.00 0.00 175.30 176.86 1c8u h PRO 157 N 3.75 0.00 -6.15 3.54 0.13 -1.91 -3.40 132.00 127.96 1c8u h PRO 157 Ca -0.44 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.12 1c8u h PRO 157 Cb 1.19 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.09 1c8u h PRO 157 CO 0.44 0.19 -0.83 -0.51 -0.23 0.00 0.00 178.00 177.06 1c8u s LEU 158 N -6.65 2.25 -0.20 1.56 1.43 -1.26 -0.85 118.68 114.96 1c8u s LEU 158 Ca 0.01 -0.62 -0.08 0.00 -1.03 0.00 0.00 54.13 52.40 1c8u s LEU 158 Cb 0.10 -0.93 -0.04 0.00 0.03 0.00 0.00 46.19 45.35 1c8u s LEU 158 CO 0.63 0.10 0.09 -0.70 0.23 0.00 0.00 176.35 176.70 1c8u s GLU 159 N -1.63 4.01 -0.12 1.70 2.12 0.24 -4.78 118.70 120.24 1c8u s GLU 159 Ca 0.07 -0.32 0.02 0.00 0.36 0.00 0.00 54.97 55.10 1c8u s GLU 159 Cb -0.10 -3.32 0.01 0.00 0.26 0.00 0.00 34.13 30.99 1c8u s GLU 159 CO 0.03 0.21 -0.18 0.08 -0.54 0.00 0.00 175.26 174.86 1c8u s VAL 160 N 0.58 1.71 -0.33 3.70 1.01 -1.26 -2.13 120.40 123.68 1c8u s VAL 160 Ca 0.05 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.29 1c8u s VAL 160 Cb -0.13 -1.54 0.10 0.00 0.00 0.00 0.00 36.38 34.81 1c8u s VAL 160 CO 0.01 0.48 0.04 -0.13 0.00 0.00 0.00 175.10 175.50 1c8u s ARG 161 N 0.91 1.49 0.34 2.72 0.52 0.07 -0.78 118.95 124.23 1c8u s ARG 161 Ca -0.07 -1.76 -0.27 0.00 -0.52 0.00 0.00 55.73 53.12 1c8u s ARG 161 Cb -0.15 -3.08 -0.09 0.00 0.52 0.00 0.00 34.95 32.15 1c8u s ARG 161 CO -0.01 -0.91 1.08 -1.25 0.02 0.00 0.00 175.30 174.23 1c8u s PRO 162 N 0.98 4.37 0.13 3.54 0.04 -1.26 -0.62 135.00 142.18 1c8u s PRO 162 Ca 0.09 1.67 -0.11 0.00 0.04 0.00 0.00 61.00 62.68 1c8u s PRO 162 Cb -0.19 -2.85 -0.09 0.00 0.04 0.00 0.00 34.50 31.42 1c8u s PRO 162 CO -0.09 0.01 1.40 0.28 0.04 0.00 0.00 177.00 178.64 1c8u h VAL 163 N 2.61 1.28 -3.55 -0.36 2.07 -1.20 -3.43 116.25 113.67 1c8u h VAL 163 Ca -0.48 -1.76 -0.40 0.00 0.82 0.00 0.00 66.70 64.88 1c8u h VAL 163 Cb 1.21 1.67 -0.33 0.00 -1.52 0.00 0.00 31.29 32.33 1c8u h VAL 163 CO 0.64 0.57 -0.77 -0.70 0.02 0.00 0.00 177.57 177.34 1c8u s GLU 164 N -4.08 0.80 -0.16 1.57 2.12 -1.26 -5.07 118.70 112.62 1c8u s GLU 164 Ca -0.10 -0.14 -0.22 0.00 0.36 0.00 0.00 54.97 54.87 1c8u s GLU 164 Cb 0.10 -0.79 -0.03 0.00 0.26 0.00 0.00 34.13 33.67 1c8u s GLU 164 CO 0.89 -0.03 0.65 0.12 -0.54 0.00 0.00 175.26 176.35 1c8u s PHE 165 N 0.70 3.43 -0.34 5.30 5.36 -1.26 -4.86 117.98 126.30 1c8u s PHE 165 Ca -0.09 1.02 -0.04 0.00 -0.96 0.00 0.00 56.93 56.86 1c8u s PHE 165 Cb -0.13 -2.80 0.06 0.00 -0.34 0.00 0.00 43.02 39.81 1c8u s PHE 165 CO 0.00 -0.10 0.08 -1.01 -1.46 0.00 0.00 175.22 172.73 1c8u s HIS 166 N 1.62 3.33 -0.22 10.12 3.76 -1.26 -5.04 115.29 127.60 1c8u s HIS 166 Ca 0.31 -1.82 -0.29 0.00 -0.15 0.00 0.00 55.06 53.11 1c8u s HIS 166 Cb -0.16 -2.42 -0.02 0.00 1.11 0.00 0.00 32.58 31.09 1c8u s HIS 166 CO 0.12 -0.82 1.45 1.21 -0.85 0.00 0.00 174.74 175.85 1c8u s ASN 167 N 1.45 6.61 0.58 1.40 3.84 -1.26 -4.88 114.94 122.68 1c8u s ASN 167 Ca -0.01 1.55 0.35 0.00 0.21 0.00 0.00 52.86 54.96 1c8u s ASN 167 Cb -0.20 -2.54 1.71 0.00 -0.55 0.00 0.00 41.25 39.67 1c8u s ASN 167 CO -0.00 -1.08 2.13 1.55 -2.79 0.00 0.00 177.10 176.91 1c8u h PRO 168 N 9.66 0.00 0.00 0.43 0.13 -1.97 0.22 132.00 140.48 1c8u h PRO 168 Ca -0.30 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.68 1c8u h PRO 168 Cb 1.13 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.24 1c8u h PRO 168 CO 1.00 0.04 -0.71 -0.07 -0.23 0.00 0.00 178.00 178.03 1c8u h LEU 169 N 0.00 0.00 0.00 1.56 3.38 -1.89 0.27 115.31 118.63 1c8u h LEU 169 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1c8u h LEU 169 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 1c8u h LEU 169 CO 0.01 0.69 -0.12 1.17 0.09 0.00 0.00 178.44 180.27 1c8u n LYS 170 N -3.26 0.00 -0.11 1.13 3.00 -0.97 -4.37 118.16 113.58 1c8u n LYS 170 Ca 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.32 1c8u n LYS 170 Cb 0.81 -0.31 0.00 0.00 0.00 0.00 0.00 35.03 35.53 1c8u n LYS 170 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1c8u n GLY 171 N 2.68 -3.02 2.96 3.14 0.00 0.75 -3.45 105.19 108.24 1c8u n GLY 171 Ca 0.00 -1.18 -0.10 0.00 0.00 0.00 0.00 46.02 44.74 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 -2.75 0.21 0.32 1.61 -3.43 -1.24 -4.69 115.29 105.32 1c8u s HIS 172 Ca 0.00 -0.43 -0.29 0.00 -0.80 0.00 0.00 55.06 53.54 1c8u s HIS 172 Cb 0.00 -0.15 -0.12 0.00 -1.43 0.00 0.00 32.58 30.88 1c8u s HIS 172 CO 0.00 -0.16 1.49 1.33 -2.00 0.00 0.00 174.74 175.41 1c8u n VAL 173 N 1.87 1.48 -3.50 -5.38 0.24 -1.26 -4.35 118.33 107.43 1c8u n VAL 173 Ca -0.22 -0.37 -0.11 0.00 -2.04 0.00 0.00 64.34 61.60 1c8u n VAL 173 Cb 0.56 -1.85 -0.03 0.00 -1.47 0.00 0.00 33.84 31.04 1c8u n VAL 173 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1c8u s ALA 174 N -0.54 -1.79 0.61 2.33 0.00 -0.54 -4.92 121.76 116.91 1c8u s ALA 174 Ca 0.60 1.08 -0.19 0.00 0.00 0.00 0.00 51.96 53.45 1c8u s ALA 174 Cb -0.52 0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 1c8u s ALA 174 CO 0.56 -0.57 1.14 0.39 0.00 0.00 0.00 175.76 177.28 1c8u n GLU 175 N 0.14 1.07 -0.78 0.00 -0.58 -1.26 -2.43 120.64 116.80 1c8u n GLU 175 Ca -0.13 0.41 -0.21 0.00 -0.42 0.00 0.00 57.16 56.82 1c8u n GLU 175 Cb 0.61 -2.36 -0.04 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 -1.38 2.09 -3.89 3.49 -0.04 -1.26 -4.73 135.00 129.28 1c8u n PRO 176 Ca 0.14 -1.36 -0.11 0.00 -0.04 0.00 0.00 63.50 62.14 1c8u n PRO 176 Cb 0.47 -2.35 -0.11 0.00 -0.04 0.00 0.00 33.50 31.47 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 2.90 0.06 -0.06 0.54 3.76 -1.26 -1.30 115.29 119.92 1c8u s HIS 177 Ca 0.43 -0.13 -0.18 0.00 -0.15 0.00 0.00 55.06 55.04 1c8u s HIS 177 Cb 0.13 -0.06 0.04 0.00 1.11 0.00 0.00 32.58 33.80 1c8u s HIS 177 CO -0.03 -0.20 0.41 0.50 -0.85 0.00 0.00 174.74 174.57 1c8u s ARG 178 N -1.04 0.70 -0.04 1.40 3.52 -0.03 -4.99 118.95 118.47 1c8u s ARG 178 Ca -0.11 0.12 0.01 0.00 -0.13 0.00 0.00 55.73 55.61 1c8u s ARG 178 Cb -0.06 0.32 0.02 0.00 -1.56 0.00 0.00 34.95 33.67 1c8u s ARG 178 CO 0.01 -0.18 -0.03 -0.65 -0.81 0.00 0.00 175.30 173.64 1c8u s GLN 179 N -0.86 0.63 -0.00 5.12 -0.21 -1.26 -0.73 119.66 122.35 1c8u s GLN 179 Ca -0.09 -0.04 0.00 0.00 0.02 0.00 0.00 55.36 55.26 1c8u s GLN 179 Cb -0.04 -0.71 -0.00 0.00 1.00 0.00 0.00 33.01 33.26 1c8u s GLN 179 CO 0.04 -0.10 -0.01 0.14 -2.12 0.00 0.00 175.29 173.24 1c8u s VAL 180 N 0.97 0.09 -0.05 1.09 -7.23 -1.00 -0.55 120.40 113.72 1c8u s VAL 180 Ca -0.10 -0.06 -0.16 0.00 -1.81 0.00 0.00 61.98 59.85 1c8u s VAL 180 Cb -0.14 -0.09 -0.05 0.00 0.56 0.00 0.00 36.38 36.66 1c8u s VAL 180 CO -0.01 0.02 0.42 0.26 -0.31 0.00 0.00 175.10 175.49 1c8u s TRP 181 N -0.05 3.65 0.04 2.82 0.52 0.21 -0.81 118.94 125.32 1c8u s TRP 181 Ca 0.00 0.94 0.04 0.00 0.02 0.00 0.00 56.10 57.10 1c8u s TRP 181 Cb -0.01 -2.38 -0.02 0.00 -1.15 0.00 0.00 33.47 29.92 1c8u s TRP 181 CO -0.00 0.47 -0.12 0.42 0.02 0.00 0.00 176.95 177.74 1c8u s ILE 182 N -0.45 0.89 0.10 2.03 1.01 0.76 -0.75 121.20 124.80 1c8u s ILE 182 Ca 0.24 -0.94 -0.25 0.00 0.00 0.00 0.00 60.65 59.70 1c8u s ILE 182 Cb -0.16 -0.84 0.07 0.00 0.01 0.00 0.00 42.46 41.54 1c8u s ILE 182 CO 0.12 -0.09 0.61 0.00 0.00 0.00 0.00 174.94 175.58 1c8u s ARG 183 N -1.16 1.21 0.30 2.79 1.70 -0.91 -0.76 118.95 122.13 1c8u s ARG 183 Ca -0.01 -0.29 -0.29 0.00 -0.47 0.00 0.00 55.73 54.67 1c8u s ARG 183 Cb -0.08 0.56 -0.10 0.00 -0.57 0.00 0.00 34.95 34.76 1c8u s ARG 183 CO 0.01 -0.49 1.26 0.00 -1.08 0.00 0.00 175.30 175.00 1c8u s ALA 184 N -3.07 3.48 -1.21 7.88 0.00 -0.08 -0.59 121.76 128.17 1c8u s ALA 184 Ca -0.02 1.17 -0.06 0.00 0.00 0.00 0.00 51.96 53.04 1c8u s ALA 184 Cb -0.01 -3.45 0.21 0.00 0.00 0.00 0.00 23.12 19.87 1c8u s ALA 184 CO -0.07 -0.52 1.93 -1.71 0.00 0.00 0.00 175.76 175.39 1c8u n ASN 185 N 1.10 6.52 0.00 0.00 5.15 -0.02 -4.71 115.26 123.30 1c8u n ASN 185 Ca 0.00 -3.27 0.00 0.00 -0.60 0.00 0.00 54.58 50.72 1c8u n ASN 185 Cb 0.43 -1.36 0.00 0.00 -0.53 0.00 0.00 39.78 38.32 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 1.77 0.14 3.51 8.20 0.00 -1.26 -3.42 105.19 114.13 1c8u n GLY 186 Ca 0.44 -1.59 -0.36 0.00 0.00 0.00 0.00 46.02 44.51 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 -4.00 5.42 0.00 1.61 1.04 -1.26 -4.93 113.70 111.57 1c8u s SER 187 Ca 0.00 -0.11 -0.24 0.00 0.48 0.00 0.00 55.95 56.08 1c8u s SER 187 Cb 0.00 -1.97 -0.05 0.00 0.10 0.00 0.00 66.02 64.10 1c8u s SER 187 CO 0.00 -0.00 0.72 -0.69 0.98 0.00 0.00 173.24 174.24 1c8u s VAL 188 N 1.44 4.86 0.92 5.02 1.01 -1.26 -5.02 120.40 127.37 1c8u s VAL 188 Ca 0.06 1.50 -0.11 0.00 0.00 0.00 0.00 61.98 63.43 1c8u s VAL 188 Cb -0.15 -4.06 0.10 0.00 0.00 0.00 0.00 36.38 32.27 1c8u s VAL 188 CO 0.05 0.34 0.88 -0.81 0.00 0.00 0.00 175.10 175.56 1c8u n PRO 189 N 3.10 -0.33 -1.59 2.72 -0.04 -1.26 -4.85 135.00 132.76 1c8u n PRO 189 Ca -0.03 -0.04 -0.40 0.00 -0.04 0.00 0.00 63.50 62.99 1c8u n PRO 189 Cb 0.51 -2.19 -0.01 0.00 -0.04 0.00 0.00 33.50 31.76 1c8u n PRO 189 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1c8u n ASP 190 N -3.05 6.55 -3.62 3.54 2.03 -1.26 -4.77 116.55 115.97 1c8u n ASP 190 Ca 0.10 -2.75 -0.21 0.00 0.52 0.00 0.00 54.79 52.45 1c8u n ASP 190 Cb 0.52 -1.58 -0.16 0.00 -0.72 0.00 0.00 41.12 39.18 1c8u n ASP 190 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1c8u s ASP 191 N 2.37 1.50 0.41 1.67 -1.08 -1.26 -5.03 116.67 115.25 1c8u s ASP 191 Ca 0.58 -0.15 0.11 0.00 -0.52 0.00 0.00 52.55 52.57 1c8u s ASP 191 Cb 0.16 0.02 0.94 0.00 -1.46 0.00 0.00 42.92 42.58 1c8u s ASP 191 CO -0.07 -0.30 1.98 0.25 0.52 0.00 0.00 175.17 177.55 1c8u h LEU 192 N 8.39 0.45 -0.80 -1.34 5.85 -1.93 -1.48 115.31 124.46 1c8u h LEU 192 Ca -0.14 0.01 0.08 0.00 0.84 0.00 0.00 57.88 58.66 1c8u h LEU 192 Cb 1.14 -0.09 -0.07 0.00 0.37 0.00 0.00 40.66 42.01 1c8u h LEU 192 CO 0.22 0.28 0.46 0.03 -0.34 0.00 0.00 178.44 179.09 1c8u h ARG 193 N 0.51 0.79 -0.22 1.25 3.08 -1.97 0.14 114.38 117.96 1c8u h ARG 193 Ca 0.28 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.24 1c8u h ARG 193 Cb 0.43 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 1c8u h ARG 193 CO -0.08 0.52 -0.01 0.28 -1.07 0.00 0.00 179.97 179.61 1c8u h VAL 194 N 0.82 1.26 -0.88 2.04 2.07 -1.64 -1.80 116.25 118.11 1c8u h VAL 194 Ca 0.37 -0.92 0.08 0.00 0.82 0.00 0.00 66.70 67.05 1c8u h VAL 194 Cb 0.26 1.43 -0.06 0.00 -1.52 0.00 0.00 31.29 31.40 1c8u h VAL 194 CO -0.21 0.28 0.57 0.45 0.02 0.00 0.00 177.57 178.68 1c8u h HIS 195 N 0.16 0.96 0.17 1.57 3.86 -1.04 -0.84 115.15 119.99 1c8u h HIS 195 Ca 0.06 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 1c8u h HIS 195 Cb 0.42 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.58 1c8u h HIS 195 CO 0.04 0.47 -0.08 1.96 0.86 0.00 0.00 177.93 181.18 1c8u h GLN 196 N 0.92 -0.22 0.00 2.45 4.20 -0.39 -0.20 115.11 121.87 1c8u h GLN 196 Ca 0.40 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.12 1c8u h GLN 196 Cb 0.33 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.16 1c8u h GLN 196 CO -0.16 0.08 0.00 0.10 -0.67 0.00 0.00 178.83 178.18 1c8u h TYR 197 N -0.51 0.00 -0.10 2.96 -0.00 -1.05 0.43 116.97 118.70 1c8u h TYR 197 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 58.73 58.50 1c8u h TYR 197 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.12 1c8u h TYR 197 CO 0.02 0.00 -0.77 1.25 -0.00 0.00 0.00 178.16 178.65 1c8u h LEU 198 N 0.00 0.66 -0.87 0.10 5.85 -0.99 -1.85 115.31 118.20 1c8u h LEU 198 Ca 0.00 -0.44 -0.12 0.00 0.84 0.00 0.00 57.88 58.16 1c8u h LEU 198 Cb 0.52 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.34 1c8u h LEU 198 CO 0.00 1.21 -0.46 0.25 -0.34 0.00 0.00 178.44 179.10 1c8u h LEU 199 N 0.37 0.24 -0.52 2.25 5.85 -0.05 -0.76 115.31 122.69 1c8u h LEU 199 Ca -0.05 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 1c8u h LEU 199 Cb 1.37 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.31 1c8u h LEU 199 CO 0.14 0.67 0.27 1.23 -0.34 0.00 0.00 178.44 180.41 1c8u h GLY 200 N 1.31 0.79 0.89 3.75 0.00 -0.70 0.35 103.07 109.45 1c8u h GLY 200 Ca 0.01 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1c8u h GLY 200 CO 0.07 0.36 -0.07 -1.82 0.00 0.00 0.00 176.54 175.08 1c8u h TYR 201 N 0.69 -0.18 -0.14 5.60 3.20 -0.86 -2.79 116.97 122.49 1c8u h TYR 201 Ca 0.18 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 1c8u h TYR 201 Cb 0.08 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 1c8u h TYR 201 CO -0.01 -0.11 -0.09 0.00 -1.64 0.00 0.00 178.16 176.30 1c8u h ALA 202 N 0.77 1.58 0.00 1.82 0.00 -0.77 -2.93 119.26 119.74 1c8u h ALA 202 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1c8u h ALA 202 Cb 0.16 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1c8u h ALA 202 CO -0.03 0.30 0.00 0.66 0.00 0.00 0.00 179.25 180.18 1c8u h SER 203 N 0.21 0.00 -0.24 0.00 4.64 -0.02 -1.36 113.55 116.77 1c8u h SER 203 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1c8u h SER 203 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1c8u h SER 203 CO 0.02 0.00 0.00 -0.67 -0.87 0.00 0.00 176.83 175.31 1c8u n ASP 204 N -2.31 2.43 -4.90 4.97 2.03 -1.10 -4.75 116.55 112.91 1c8u n ASP 204 Ca -0.01 -1.84 -0.31 0.00 0.52 0.00 0.00 54.79 53.15 1c8u n ASP 204 Cb 0.06 -0.16 -0.04 0.00 -0.72 0.00 0.00 41.12 40.26 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 4.31 -1.47 -2.67 1.43 -0.52 -4.43 118.68 113.77 1c8u s LEU 205 Ca 0.35 0.25 -0.15 0.00 -1.03 0.00 0.00 54.13 53.55 1c8u s LEU 205 Cb 0.20 -2.88 0.13 0.00 0.03 0.00 0.00 46.19 43.66 1c8u s LEU 205 CO 0.29 0.18 0.62 0.59 0.23 0.00 0.00 176.35 178.26 1c8u n ASN 206 N 0.37 -3.21 0.00 2.29 4.13 -1.26 -4.86 115.26 112.72 1c8u n ASN 206 Ca -0.06 -0.72 0.00 0.00 1.68 0.00 0.00 54.58 55.48 1c8u n ASN 206 Cb 0.51 -2.66 0.00 0.00 -1.54 0.00 0.00 39.78 36.09 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 -4.08 0.00 -0.32 3.10 -0.00 -1.26 -4.77 117.46 110.12 1c8u n PHE 207 Ca 0.05 0.00 0.17 0.00 -0.00 0.00 0.00 57.45 57.66 1c8u n PHE 207 Cb 0.50 0.00 0.37 0.00 -0.00 0.00 0.00 39.48 40.35 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 0.44 -2.01 -2.13 5.85 -1.89 -1.17 115.31 114.39 1c8u h LEU 208 Ca 0.00 0.16 0.10 0.00 0.84 0.00 0.00 57.88 58.98 1c8u h LEU 208 Cb 0.00 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1c8u h LEU 208 CO 0.00 -0.02 0.40 -0.65 -0.34 0.00 0.00 178.44 177.83 1c8u h PRO 209 N 0.42 0.00 -0.11 5.25 0.11 -1.96 -1.24 132.00 134.46 1c8u h PRO 209 Ca 0.62 0.00 0.03 0.00 0.11 0.00 0.00 66.00 66.76 1c8u h PRO 209 Cb 1.25 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1c8u h PRO 209 CO -0.54 0.00 0.12 0.28 -0.21 0.00 0.00 178.00 177.65 1c8u h VAL 210 N 0.00 0.51 0.00 3.15 2.07 -1.51 0.87 116.25 121.35 1c8u h VAL 210 Ca 0.16 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.68 1c8u h VAL 210 Cb 0.95 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 1c8u h VAL 210 CO -0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 1c8u h ALA 211 N 1.86 1.00 0.00 1.67 0.00 -1.43 -2.72 119.26 119.64 1c8u h ALA 211 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1c8u h ALA 211 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1c8u h ALA 211 CO -0.00 0.00 -0.72 -0.07 0.00 0.00 0.00 179.25 178.46 1c8u h LEU 212 N 0.00 0.00 -0.56 0.00 3.38 -1.00 -3.40 115.31 113.73 1c8u h LEU 212 Ca 0.00 -0.14 0.09 0.00 0.09 0.00 0.00 57.88 57.92 1c8u h LEU 212 Cb 0.45 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.13 1c8u h LEU 212 CO 0.00 0.07 0.17 1.56 0.09 0.00 0.00 178.44 180.33 1c8u h GLN 213 N 0.00 0.32 -0.00 1.13 4.20 -1.51 -0.87 115.11 118.38 1c8u h GLN 213 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1c8u h GLN 213 Cb 0.84 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.54 1c8u h GLN 213 CO 0.00 0.21 0.00 -1.35 -0.67 0.00 0.00 178.83 177.03 1c8u h PRO 214 N 0.33 0.00 -0.27 1.46 0.11 -1.69 -1.00 132.00 130.94 1c8u h PRO 214 Ca 0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.39 1c8u h PRO 214 Cb 0.36 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.47 1c8u h PRO 214 CO -0.31 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 178.20 1c8u n HIS 215 N -3.47 0.34 -2.01 0.65 8.25 -0.36 -4.65 115.22 113.97 1c8u n HIS 215 Ca -0.03 -0.17 -0.21 0.00 -0.26 0.00 0.00 57.72 57.05 1c8u n HIS 215 Cb 0.08 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.14 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 1.39 0.72 3.44 -1.41 0.00 -0.49 -4.85 105.19 103.99 1c8u n GLY 216 Ca 0.18 -0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.92 3.07 0.08 -0.61 1.01 -1.21 -3.70 121.20 116.92 1c8u s ILE 217 Ca 0.00 -0.70 -0.08 0.00 0.00 0.00 0.00 60.65 59.87 1c8u s ILE 217 Cb 0.00 -2.23 -0.05 0.00 0.01 0.00 0.00 42.46 40.18 1c8u s ILE 217 CO 0.00 0.57 0.37 -0.83 0.00 0.00 0.00 174.94 175.04 1c8u s GLY 218 N -0.34 2.30 0.00 6.18 0.00 -1.22 -4.56 107.32 109.67 1c8u s GLY 218 Ca 0.03 -0.46 0.14 0.00 0.00 0.00 0.00 44.72 44.43 1c8u s GLY 218 CO 0.02 -0.28 1.45 1.97 0.00 0.00 0.00 173.10 176.26 1c8u n PHE 219 N 0.77 0.00 -0.37 1.90 -1.74 -1.18 -1.99 117.46 114.84 1c8u n PHE 219 Ca -0.07 0.00 0.11 0.00 -0.56 0.00 0.00 57.45 56.92 1c8u n PHE 219 Cb 0.52 -0.50 0.31 0.00 1.52 0.00 0.00 39.48 41.33 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 -1.50 3.90 -4.81 5.98 4.77 0.95 -4.81 117.00 121.47 1c8u n LEU 220 Ca 0.03 -2.03 -0.33 0.00 -0.03 0.00 0.00 56.01 53.65 1c8u n LEU 220 Cb 0.16 -0.47 -0.04 0.00 -2.33 0.00 0.00 43.42 40.75 1c8u n LEU 220 CO 0.13 0.95 0.69 -1.61 -1.33 0.00 0.00 177.39 176.22 1c8u s GLU 221 N -1.06 3.87 0.21 3.23 2.02 -0.84 -4.76 118.70 121.36 1c8u s GLU 221 Ca 0.46 1.22 -0.31 0.00 0.02 0.00 0.00 54.97 56.37 1c8u s GLU 221 Cb 0.24 -2.11 -0.10 0.00 0.10 0.00 0.00 34.13 32.26 1c8u s GLU 221 CO 0.31 -0.35 1.56 -1.25 0.02 0.00 0.00 175.26 175.54 1c8u s PRO 222 N -3.44 4.20 0.00 0.39 0.04 -1.26 -2.48 135.00 132.45 1c8u s PRO 222 Ca 0.64 2.41 0.00 0.00 0.04 0.00 0.00 61.00 64.09 1c8u s PRO 222 Cb -0.13 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.29 1c8u s PRO 222 CO 0.22 -0.58 0.00 0.41 0.04 0.00 0.00 177.00 177.09 1c8u n GLY 223 N 3.14 1.63 3.66 0.56 0.00 -1.26 -4.93 105.19 107.99 1c8u n GLY 223 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.32 5.15 -0.14 -0.61 -1.09 -1.04 -0.20 121.20 119.95 1c8u s ILE 224 Ca 0.00 0.82 0.00 0.00 -2.23 0.00 0.00 60.65 59.24 1c8u s ILE 224 Cb 0.00 -3.78 0.02 0.00 -1.58 0.00 0.00 42.46 37.12 1c8u s ILE 224 CO 0.00 0.21 -0.13 -1.58 -1.23 0.00 0.00 174.94 172.21 1c8u s GLN 225 N 1.53 2.13 0.04 2.79 0.74 0.11 -4.80 119.66 122.19 1c8u s GLN 225 Ca 0.21 -0.51 0.07 0.00 0.05 0.00 0.00 55.36 55.18 1c8u s GLN 225 Cb -0.15 -2.02 -0.02 0.00 1.10 0.00 0.00 33.01 31.92 1c8u s GLN 225 CO 0.09 -0.25 -0.21 0.96 -0.55 0.00 0.00 175.29 175.33 1c8u s ILE 226 N 1.53 1.67 -0.19 -2.34 -4.36 -1.25 -0.15 121.20 116.11 1c8u s ILE 226 Ca 0.05 -1.16 -0.12 0.00 -0.26 0.00 0.00 60.65 59.16 1c8u s ILE 226 Cb -0.13 -1.44 0.06 0.00 1.25 0.00 0.00 42.46 42.20 1c8u s ILE 226 CO -0.10 0.24 0.46 0.00 0.24 0.00 0.00 174.94 175.79 1c8u s ALA 227 N -0.76 -1.19 0.20 2.27 0.00 -0.43 -4.93 121.76 116.92 1c8u s ALA 227 Ca 0.08 1.60 -0.31 0.00 0.00 0.00 0.00 51.96 53.33 1c8u s ALA 227 Cb -0.09 -0.96 -0.10 0.00 0.00 0.00 0.00 23.12 21.97 1c8u s ALA 227 CO 0.01 -0.27 1.53 0.99 0.00 0.00 0.00 175.76 178.03 1c8u s THR 228 N 1.14 2.59 -0.24 0.00 2.01 -1.26 0.54 115.64 120.42 1c8u s THR 228 Ca -0.07 0.45 -0.15 0.00 0.31 0.00 0.00 61.69 62.22 1c8u s THR 228 Cb -0.07 -3.29 -0.10 0.00 0.01 0.00 0.00 72.50 69.05 1c8u s THR 228 CO -0.10 0.05 -0.33 -0.38 -0.69 0.00 0.00 174.62 173.17 1c8u n ILE 229 N 3.36 1.52 -3.96 1.82 5.41 -0.03 -4.56 119.36 122.91 1c8u n ILE 229 Ca 0.11 -0.21 -0.10 0.00 1.00 0.00 0.00 62.75 63.55 1c8u n ILE 229 Cb 0.39 -2.03 -0.12 0.00 -0.71 0.00 0.00 39.64 37.17 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 -6.98 0.24 -0.04 4.38 -4.77 -0.97 -0.16 116.67 108.37 1c8u s ASP 230 Ca -0.35 -0.36 -0.01 0.00 -3.30 0.00 0.00 52.55 48.53 1c8u s ASP 230 Cb 0.11 0.06 0.03 0.00 -1.09 0.00 0.00 42.92 42.03 1c8u s ASP 230 CO 0.47 -0.20 0.02 -2.28 0.70 0.00 0.00 175.17 173.88 1c8u s HIS 231 N -1.03 0.26 0.10 2.11 2.46 -0.62 -2.60 115.29 115.97 1c8u s HIS 231 Ca -0.11 0.06 0.05 0.00 0.47 0.00 0.00 55.06 55.53 1c8u s HIS 231 Cb -0.07 -0.46 -0.03 0.00 -0.13 0.00 0.00 32.58 31.88 1c8u s HIS 231 CO -0.01 -0.17 -0.13 -1.12 -2.47 0.00 0.00 174.74 170.84 1c8u s SER 232 N 1.47 1.79 -0.11 9.88 0.01 -0.05 -1.76 113.70 124.94 1c8u s SER 232 Ca -0.04 -0.74 -0.19 0.00 1.31 0.00 0.00 55.95 56.30 1c8u s SER 232 Cb -0.13 -0.05 0.04 0.00 0.21 0.00 0.00 66.02 66.10 1c8u s SER 232 CO -0.03 -0.14 0.47 -0.32 0.41 0.00 0.00 173.24 173.63 1c8u s MET 233 N -2.34 0.68 -0.13 12.44 1.75 -0.57 -1.69 119.30 129.45 1c8u s MET 233 Ca 0.04 0.33 0.01 0.00 -1.25 0.00 0.00 55.69 54.82 1c8u s MET 233 Cb -0.06 0.32 0.02 0.00 2.84 0.00 0.00 34.83 37.95 1c8u s MET 233 CO 0.02 -0.15 -0.13 -1.58 -0.65 0.00 0.00 175.02 172.54 1c8u s TRP 234 N -0.49 1.94 -0.58 4.11 0.51 -0.33 -1.09 118.94 123.01 1c8u s TRP 234 Ca -0.06 -1.02 -0.20 0.00 -2.12 0.00 0.00 56.10 52.70 1c8u s TRP 234 Cb -0.03 -1.45 0.08 0.00 -0.81 0.00 0.00 33.47 31.26 1c8u s TRP 234 CO 0.03 -0.58 0.75 -0.06 -0.51 0.00 0.00 176.95 176.59 1c8u s PHE 235 N 1.41 2.93 0.00 -1.98 0.40 0.04 -1.72 117.98 119.05 1c8u s PHE 235 Ca 0.02 -0.72 -0.20 0.00 -0.60 0.00 0.00 56.93 55.44 1c8u s PHE 235 Cb -0.13 -3.96 -0.25 0.00 0.51 0.00 0.00 43.02 39.19 1c8u s PHE 235 CO -0.08 -1.31 1.07 0.45 0.70 0.00 0.00 175.22 176.06 1c8u h HIS 236 N 9.23 0.63 -4.14 0.36 3.86 -1.55 -3.43 115.15 120.10 1c8u h HIS 236 Ca -0.29 -0.36 -0.13 0.00 -1.16 0.00 0.00 60.37 58.43 1c8u h HIS 236 Cb 1.08 -0.06 -0.14 0.00 1.06 0.00 0.00 27.41 29.35 1c8u h HIS 236 CO 0.85 1.20 -0.55 1.03 0.86 0.00 0.00 177.93 181.32 1c8u s ARG 237 N -3.09 0.83 0.76 2.45 0.52 -1.04 -5.05 118.95 114.34 1c8u s ARG 237 Ca -0.13 -1.22 -0.12 0.00 -0.52 0.00 0.00 55.73 53.74 1c8u s ARG 237 Cb 0.03 0.27 0.05 0.00 0.52 0.00 0.00 34.95 35.83 1c8u s ARG 237 CO 0.83 -0.23 1.12 -1.25 0.02 0.00 0.00 175.30 175.79 1c8u s PRO 238 N -3.95 2.20 0.25 3.54 0.04 -1.26 -4.83 135.00 130.99 1c8u s PRO 238 Ca 0.13 1.38 -0.20 0.00 0.04 0.00 0.00 61.00 62.35 1c8u s PRO 238 Cb 0.06 -1.88 0.03 0.00 0.04 0.00 0.00 34.50 32.75 1c8u s PRO 238 CO -0.05 -1.72 0.66 -0.59 0.04 0.00 0.00 177.00 175.34 1c8u s PHE 239 N -2.56 -0.17 -0.29 0.56 -0.12 -1.26 -4.96 117.98 109.18 1c8u s PHE 239 Ca 0.66 -0.23 0.01 0.00 -0.05 0.00 0.00 56.93 57.32 1c8u s PHE 239 Cb -0.21 0.60 0.09 0.00 -0.63 0.00 0.00 43.02 42.87 1c8u s PHE 239 CO 0.50 -1.13 0.02 1.21 -0.05 0.00 0.00 175.22 175.78 1c8u s ASN 240 N -2.90 4.24 0.00 1.98 3.84 -1.26 -4.97 114.94 115.86 1c8u s ASN 240 Ca 0.11 -1.65 0.12 0.00 0.21 0.00 0.00 52.86 51.64 1c8u s ASN 240 Cb -0.04 -1.26 0.70 0.00 -0.55 0.00 0.00 41.25 40.10 1c8u s ASN 240 CO 0.03 -0.34 1.12 0.18 -2.79 0.00 0.00 177.10 175.31 1c8u n LEU 241 N 4.57 0.00 0.15 3.21 4.77 -1.26 -0.92 117.00 127.52 1c8u n LEU 241 Ca -0.04 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.07 1c8u n LEU 241 Cb 0.43 0.00 0.26 0.00 -2.33 0.00 0.00 43.42 41.78 1c8u n LEU 241 CO 0.18 0.00 0.76 0.78 -1.33 0.00 0.00 177.39 177.77 1c8u h ASN 242 N 0.00 0.00 -1.76 -1.43 2.35 -1.91 -0.19 115.58 112.64 1c8u h ASN 242 Ca 0.00 -0.02 -0.50 0.00 -0.55 0.00 0.00 56.30 55.23 1c8u h ASN 242 Cb 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.33 1c8u h ASN 242 CO 0.00 0.01 -0.44 -1.61 -1.65 0.00 0.00 177.43 173.74 1c8u s GLU 243 N -3.17 2.65 0.38 0.81 2.02 -0.09 -4.72 118.70 116.58 1c8u s GLU 243 Ca 0.08 -1.38 -0.26 0.00 0.02 0.00 0.00 54.97 53.43 1c8u s GLU 243 Cb 0.09 -2.43 -0.09 0.00 0.10 0.00 0.00 34.13 31.81 1c8u s GLU 243 CO 0.65 0.02 1.23 -1.58 0.02 0.00 0.00 175.26 175.60 1c8u s TRP 244 N -2.36 3.03 -0.03 1.61 0.52 -1.26 -4.60 118.94 115.85 1c8u s TRP 244 Ca 0.43 1.49 0.02 0.00 0.02 0.00 0.00 56.10 58.06 1c8u s TRP 244 Cb -0.05 -3.53 0.01 0.00 -1.15 0.00 0.00 33.47 28.75 1c8u s TRP 244 CO 0.27 -1.60 -0.07 -0.51 0.02 0.00 0.00 176.95 175.05 1c8u s LEU 245 N -2.25 1.64 -0.18 2.99 1.43 0.06 -3.74 118.68 118.63 1c8u s LEU 245 Ca 0.54 -0.16 -0.18 0.00 -1.03 0.00 0.00 54.13 53.31 1c8u s LEU 245 Cb -0.35 -0.48 -0.04 0.00 0.03 0.00 0.00 46.19 45.35 1c8u s LEU 245 CO 0.45 0.02 0.47 -0.22 0.23 0.00 0.00 176.35 177.29 1c8u s LEU 246 N 0.44 4.19 -0.44 1.79 2.96 0.92 -0.17 118.68 128.36 1c8u s LEU 246 Ca -0.06 0.67 -0.10 0.00 -0.22 0.00 0.00 54.13 54.41 1c8u s LEU 246 Cb -0.10 -2.64 0.08 0.00 0.50 0.00 0.00 46.19 44.03 1c8u s LEU 246 CO 0.00 -0.09 0.30 -0.47 -1.32 0.00 0.00 176.35 174.77 1c8u s TYR 247 N 1.23 3.33 -0.36 5.38 5.04 0.01 -0.88 117.35 131.10 1c8u s TYR 247 Ca 0.23 -1.46 -0.16 0.00 -2.44 0.00 0.00 57.07 53.25 1c8u s TYR 247 Cb -0.15 -3.09 -0.00 0.00 0.35 0.00 0.00 41.96 39.07 1c8u s TYR 247 CO 0.09 -0.86 0.37 0.45 -1.34 0.00 0.00 175.55 174.26 1c8u s SER 248 N 2.31 6.18 0.08 4.32 0.15 0.23 -2.38 113.70 124.59 1c8u s SER 248 Ca 0.04 -0.36 0.09 0.00 0.70 0.00 0.00 55.95 56.42 1c8u s SER 248 Cb -0.24 -2.20 -0.03 0.00 -1.71 0.00 0.00 66.02 61.84 1c8u s SER 248 CO 0.03 -0.39 -0.23 -0.69 1.20 0.00 0.00 173.24 173.15 1c8u s VAL 249 N 2.02 2.44 0.02 4.45 1.01 0.09 -1.23 120.40 129.20 1c8u s VAL 249 Ca 0.11 -1.46 -0.01 0.00 0.00 0.00 0.00 61.98 60.63 1c8u s VAL 249 Cb -0.17 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.16 1c8u s VAL 249 CO 0.12 0.24 -0.01 -1.83 0.00 0.00 0.00 175.10 173.63 1c8u s GLU 250 N -1.65 0.34 -0.35 2.72 -1.05 -0.45 -0.85 118.70 117.43 1c8u s GLU 250 Ca 0.14 -0.60 0.03 0.00 -0.15 0.00 0.00 54.97 54.39 1c8u s GLU 250 Cb -0.10 0.13 0.10 0.00 -0.44 0.00 0.00 34.13 33.81 1c8u s GLU 250 CO 0.05 -0.06 0.06 0.45 0.95 0.00 0.00 175.26 176.71 1c8u s SER 251 N -1.49 4.83 0.00 0.83 0.15 -0.42 -0.95 113.70 116.65 1c8u s SER 251 Ca -0.15 -2.08 0.29 0.00 0.70 0.00 0.00 55.95 54.70 1c8u s SER 251 Cb -0.09 -1.66 1.30 0.00 -1.71 0.00 0.00 66.02 63.86 1c8u s SER 251 CO -0.01 -0.39 1.95 0.35 1.20 0.00 0.00 173.24 176.33 1c8u n THR 252 N 4.32 0.03 -3.55 6.45 -2.24 -1.22 -4.80 114.28 113.27 1c8u n THR 252 Ca 0.02 0.01 -0.10 0.00 -2.27 0.00 0.00 64.05 61.71 1c8u n THR 252 Cb 0.42 -0.52 -0.04 0.00 -2.10 0.00 0.00 70.33 68.09 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 -2.88 -0.36 -0.17 3.42 0.15 -1.25 -5.08 113.70 107.53 1c8u s SER 253 Ca 0.18 0.25 -0.12 0.00 0.70 0.00 0.00 55.95 56.96 1c8u s SER 253 Cb 0.19 0.33 0.05 0.00 -1.71 0.00 0.00 66.02 64.88 1c8u s SER 253 CO 0.50 -0.44 0.43 0.00 1.20 0.00 0.00 173.24 174.94 1c8u s ALA 254 N -1.87 -1.10 -0.18 5.45 0.00 -1.26 -1.17 121.76 121.63 1c8u s ALA 254 Ca 0.01 1.45 -0.35 0.00 0.00 0.00 0.00 51.96 53.07 1c8u s ALA 254 Cb -0.01 -0.86 0.14 0.00 0.00 0.00 0.00 23.12 22.39 1c8u s ALA 254 CO -0.02 -0.25 1.21 -1.54 0.00 0.00 0.00 175.76 175.16 1c8u s SER 255 N 0.93 -0.13 -1.64 0.00 1.04 -0.59 -4.98 113.70 108.31 1c8u s SER 255 Ca -0.06 -0.01 -0.15 0.00 0.48 0.00 0.00 55.95 56.21 1c8u s SER 255 Cb -0.06 0.15 0.13 0.00 0.10 0.00 0.00 66.02 66.33 1c8u s SER 255 CO -0.08 -0.24 0.73 -1.20 0.98 0.00 0.00 173.24 173.44 1c8u n SER 256 N -0.12 -2.88 -1.38 7.02 7.64 -1.26 -0.40 113.62 122.24 1c8u n SER 256 Ca -0.00 -1.00 -0.15 0.00 1.01 0.00 0.00 58.87 58.73 1c8u n SER 256 Cb 0.58 -2.87 -0.04 0.00 -1.01 0.00 0.00 64.21 60.88 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 -4.41 -0.32 -2.51 -0.43 0.00 -1.26 -4.99 120.51 106.58 1c8u n ALA 257 Ca 0.01 0.18 -0.20 0.00 0.00 0.00 0.00 53.44 53.43 1c8u n ALA 257 Cb 0.53 -1.64 -0.11 0.00 0.00 0.00 0.00 19.45 18.22 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 -3.92 1.10 -0.04 0.00 0.52 0.46 -0.76 118.95 116.32 1c8u s ARG 258 Ca 0.00 -1.25 0.04 0.00 -0.52 0.00 0.00 55.73 54.01 1c8u s ARG 258 Cb 0.00 -1.11 -0.00 0.00 0.52 0.00 0.00 34.95 34.35 1c8u s ARG 258 CO 0.00 0.23 -0.17 0.20 0.02 0.00 0.00 175.30 175.58 1c8u s GLY 259 N -2.35 0.89 -0.12 -3.53 0.00 0.69 -1.54 107.32 101.36 1c8u s GLY 259 Ca 0.09 -0.67 0.03 0.00 0.00 0.00 0.00 44.72 44.17 1c8u s GLY 259 CO 0.04 -0.36 -0.22 -0.12 0.00 0.00 0.00 173.10 172.44 1c8u s PHE 260 N 0.01 2.64 0.08 1.90 5.36 -0.32 -0.70 117.98 126.94 1c8u s PHE 260 Ca -0.03 -1.14 0.05 0.00 -0.96 0.00 0.00 56.93 54.85 1c8u s PHE 260 Cb -0.11 -1.78 -0.03 0.00 -0.34 0.00 0.00 43.02 40.76 1c8u s PHE 260 CO 0.02 -0.49 -0.14 0.14 -1.46 0.00 0.00 175.22 173.29 1c8u s VAL 261 N 0.57 1.10 -0.03 3.12 -7.23 0.43 -3.40 120.40 114.97 1c8u s VAL 261 Ca -0.13 -1.36 0.03 0.00 -1.81 0.00 0.00 61.98 58.71 1c8u s VAL 261 Cb -0.17 -1.12 0.00 0.00 0.56 0.00 0.00 36.38 35.65 1c8u s VAL 261 CO 0.04 -0.27 -0.09 -0.13 -0.31 0.00 0.00 175.10 174.33 1c8u s ARG 262 N -1.90 1.00 0.19 4.82 0.52 -0.13 -1.17 118.95 122.28 1c8u s ARG 262 Ca -0.01 -0.32 0.03 0.00 -0.52 0.00 0.00 55.73 54.92 1c8u s ARG 262 Cb -0.09 -0.93 -0.05 0.00 0.52 0.00 0.00 34.95 34.40 1c8u s ARG 262 CO 0.02 0.12 -0.04 0.20 0.02 0.00 0.00 175.30 175.62 1c8u s GLY 263 N 0.20 1.30 -0.08 -3.53 0.00 0.54 -1.34 107.32 104.40 1c8u s GLY 263 Ca -0.03 -1.63 -0.06 0.00 0.00 0.00 0.00 44.72 43.00 1c8u s GLY 263 CO 0.01 -1.61 0.20 -0.54 0.00 0.00 0.00 173.10 171.16 1c8u s GLU 264 N -3.83 0.22 -0.16 2.90 2.02 -0.36 -0.46 118.70 119.03 1c8u s GLU 264 Ca 0.23 0.33 -0.05 0.00 0.02 0.00 0.00 54.97 55.50 1c8u s GLU 264 Cb 0.05 0.05 -0.03 0.00 0.10 0.00 0.00 34.13 34.29 1c8u s GLU 264 CO 0.05 -0.06 0.01 -0.06 0.02 0.00 0.00 175.26 175.21 1c8u s PHE 265 N 0.38 3.14 0.07 1.61 0.40 0.46 -0.60 117.98 123.44 1c8u s PHE 265 Ca -0.02 -0.07 0.06 0.00 -0.60 0.00 0.00 56.93 56.30 1c8u s PHE 265 Cb -0.04 -1.98 -0.03 0.00 0.51 0.00 0.00 43.02 41.48 1c8u s PHE 265 CO -0.02 0.12 -0.17 0.71 0.70 0.00 0.00 175.22 176.56 1c8u s TYR 266 N 0.17 1.48 0.66 0.36 1.51 -0.06 -0.22 117.35 121.24 1c8u s TYR 266 Ca 0.01 -0.41 -0.11 0.00 -1.01 0.00 0.00 57.07 55.55 1c8u s TYR 266 Cb -0.13 -0.84 -0.01 0.00 -0.11 0.00 0.00 41.96 40.87 1c8u s TYR 266 CO 0.02 0.11 1.06 0.95 -1.11 0.00 0.00 175.55 176.57 1c8u s THR 267 N -1.09 4.06 0.48 -0.71 -4.23 -0.34 -0.06 115.64 113.75 1c8u s THR 267 Ca 0.03 0.64 0.14 0.00 -1.18 0.00 0.00 61.69 61.32 1c8u s THR 267 Cb -0.09 -3.66 0.29 0.00 1.34 0.00 0.00 72.50 70.38 1c8u s THR 267 CO 0.03 -0.86 2.08 -0.61 -0.54 0.00 0.00 174.62 174.72 1c8u h GLN 268 N -0.48 0.20 0.00 3.99 4.15 -1.92 0.11 115.11 121.17 1c8u h GLN 268 Ca -0.45 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.96 1c8u h GLN 268 Cb 1.22 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.87 1c8u h GLN 268 CO 0.63 0.13 0.00 -0.25 -1.93 0.00 0.00 178.83 177.41 1c8u n ASP 269 N -4.49 0.00 0.00 -0.69 8.00 -1.26 -4.88 116.55 113.23 1c8u n ASP 269 Ca 0.02 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.48 1c8u n ASP 269 Cb 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 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 0.56 0.82 3.69 0.44 0.00 0.38 -5.06 105.19 106.02 1c8u n GLY 270 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.10 4.81 -0.38 1.61 1.01 -1.25 -4.46 120.40 119.65 1c8u s VAL 271 Ca 0.00 1.96 -0.29 0.00 0.00 0.00 0.00 61.98 63.65 1c8u s VAL 271 Cb 0.00 -4.28 0.01 0.00 0.00 0.00 0.00 36.38 32.11 1c8u s VAL 271 CO 0.00 0.02 1.36 -0.22 0.00 0.00 0.00 175.10 176.26 1c8u s LEU 272 N 1.97 3.69 -0.15 3.92 2.96 -1.26 -1.20 118.68 128.60 1c8u s LEU 272 Ca 0.46 0.93 0.08 0.00 -0.22 0.00 0.00 54.13 55.38 1c8u s LEU 272 Cb -0.18 -3.54 -0.23 0.00 0.50 0.00 0.00 46.19 42.74 1c8u s LEU 272 CO 0.17 -1.30 0.23 0.52 -1.32 0.00 0.00 176.35 174.66 1c8u n VAL 273 N 6.76 1.56 -3.49 1.68 0.31 0.69 -4.34 118.33 121.50 1c8u n VAL 273 Ca 0.16 -0.74 -0.11 0.00 -0.01 0.00 0.00 64.34 63.64 1c8u n VAL 273 Cb 0.48 -1.10 -0.03 0.00 -0.91 0.00 0.00 33.84 32.28 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 -2.54 -1.76 0.06 3.52 0.00 -1.19 -1.53 121.76 118.31 1c8u s ALA 274 Ca -0.17 0.98 0.06 0.00 0.00 0.00 0.00 51.96 52.84 1c8u s ALA 274 Cb 0.07 0.34 -0.03 0.00 0.00 0.00 0.00 23.12 23.51 1c8u s ALA 274 CO 0.77 -0.61 -0.18 -1.12 0.00 0.00 0.00 175.76 174.61 1c8u s SER 275 N -2.19 2.13 0.08 0.00 0.01 -0.70 -0.40 113.70 112.62 1c8u s SER 275 Ca 0.01 -0.55 0.02 0.00 1.31 0.00 0.00 55.95 56.74 1c8u s SER 275 Cb -0.01 -0.14 -0.04 0.00 0.21 0.00 0.00 66.02 66.05 1c8u s SER 275 CO -0.06 0.07 -0.07 0.42 0.41 0.00 0.00 173.24 174.01 1c8u s THR 276 N -0.95 0.63 -0.12 1.44 -4.23 0.39 -1.18 115.64 111.61 1c8u s THR 276 Ca 0.04 -1.61 -0.09 0.00 -1.18 0.00 0.00 61.69 58.85 1c8u s THR 276 Cb -0.09 -1.28 0.04 0.00 1.34 0.00 0.00 72.50 72.51 1c8u s THR 276 CO 0.02 -0.69 0.31 -0.69 -0.54 0.00 0.00 174.62 173.03 1c8u s VAL 277 N -2.79 -0.01 -0.11 2.29 1.01 -0.68 -0.34 120.40 119.76 1c8u s VAL 277 Ca 0.04 0.05 -0.16 0.00 0.00 0.00 0.00 61.98 61.90 1c8u s VAL 277 Cb -0.00 -0.45 0.04 0.00 0.00 0.00 0.00 36.38 35.97 1c8u s VAL 277 CO -0.03 0.02 0.42 -1.58 0.00 0.00 0.00 175.10 173.93 1c8u s GLN 278 N 0.59 0.59 0.03 2.72 0.74 -0.32 -0.87 119.66 123.15 1c8u s GLN 278 Ca -0.04 0.35 0.07 0.00 0.05 0.00 0.00 55.36 55.79 1c8u s GLN 278 Cb -0.05 0.28 -0.02 0.00 1.10 0.00 0.00 33.01 34.32 1c8u s GLN 278 CO -0.04 -0.12 -0.20 -2.00 -0.55 0.00 0.00 175.29 172.39 1c8u s GLU 279 N -0.33 1.39 0.17 1.67 2.12 -1.07 -0.43 118.70 122.23 1c8u s GLU 279 Ca -0.05 -0.86 -0.08 0.00 0.36 0.00 0.00 54.97 54.34 1c8u s GLU 279 Cb -0.03 -1.45 -0.01 0.00 0.26 0.00 0.00 34.13 32.89 1c8u s GLU 279 CO 0.02 0.38 0.28 0.20 -0.54 0.00 0.00 175.26 175.60 1c8u s GLY 280 N -0.99 0.57 0.28 -1.50 0.00 0.12 -0.85 107.32 104.95 1c8u s GLY 280 Ca 0.07 -0.96 -0.29 0.00 0.00 0.00 0.00 44.72 43.54 1c8u s GLY 280 CO 0.01 -0.88 1.05 0.14 0.00 0.00 0.00 173.10 173.43 1c8u s VAL 281 N -3.99 3.66 -0.20 1.40 1.01 0.19 -0.23 120.40 122.24 1c8u s VAL 281 Ca 0.19 1.62 -0.04 0.00 0.00 0.00 0.00 61.98 63.75 1c8u s VAL 281 Cb 0.03 -4.01 0.07 0.00 0.00 0.00 0.00 36.38 32.47 1c8u s VAL 281 CO 0.02 0.35 0.09 -0.04 0.00 0.00 0.00 175.10 175.52 1c8u s MET 282 N -1.51 0.16 0.04 2.72 -1.94 0.06 -1.31 119.30 117.52 1c8u s MET 282 Ca 0.45 -0.23 0.04 0.00 -1.71 0.00 0.00 55.69 54.24 1c8u s MET 282 Cb -0.29 -1.71 -0.02 0.00 2.01 0.00 0.00 34.83 34.82 1c8u s MET 282 CO 0.37 -0.75 -0.13 1.03 -0.01 0.00 0.00 175.02 175.53 1c8u s ARG 283 N 2.09 0.88 -0.29 2.03 0.52 0.79 -4.35 118.95 120.61 1c8u s ARG 283 Ca 0.03 -0.72 -0.01 0.00 -0.52 0.00 0.00 55.73 54.51 1c8u s ARG 283 Cb -0.16 -0.86 0.05 0.00 0.52 0.00 0.00 34.95 34.50 1c8u s ARG 283 CO -0.16 0.21 -0.01 1.21 0.02 0.00 0.00 175.30 176.57 1c8u s ASN 284 N -1.11 4.83 -1.39 0.23 3.04 -1.26 0.05 114.94 119.33 1c8u s ASN 284 Ca 0.01 -1.25 -0.09 0.00 0.04 0.00 0.00 52.86 51.57 1c8u s ASN 284 Cb -0.08 -1.70 -0.07 0.00 -1.54 0.00 0.00 41.25 37.87 1c8u s ASN 284 CO 0.01 -0.25 2.92 1.41 -3.04 0.00 0.00 177.10 178.16 1c8u n HIS 285 N 4.61 2.20 0.00 0.43 8.25 0.72 -5.01 115.22 126.41 1c8u n HIS 285 Ca -0.13 -2.87 0.00 0.00 -0.26 0.00 0.00 57.72 54.46 1c8u n HIS 285 Cb 0.43 -2.26 0.00 0.00 1.12 0.00 0.00 29.99 29.28 1c8u n HIS 285 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07