#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c7b s HIS 2 N 0.00 3.32 0.04 1.12 2.46 -1.26 -4.44 115.29 116.53 1c7b s HIS 2 Ca 0.00 0.19 0.08 0.00 0.47 0.00 0.00 55.06 55.80 1c7b s HIS 2 Cb 0.00 -2.19 -0.03 0.00 -0.13 0.00 0.00 32.58 30.24 1c7b s HIS 2 CO 0.00 0.14 -0.23 -0.51 -2.47 0.00 0.00 174.74 171.67 1c7b s LEU 3 N 0.69 2.16 0.86 8.88 1.43 -1.26 -5.12 118.68 126.32 1c7b s LEU 3 Ca 0.07 -0.55 -0.10 0.00 -1.03 0.00 0.00 54.13 52.52 1c7b s LEU 3 Cb -0.12 -1.13 0.11 0.00 0.03 0.00 0.00 46.19 45.08 1c7b s LEU 3 CO 0.01 0.21 1.12 0.42 0.23 0.00 0.00 176.35 178.34 1c7b s THR 4 N -0.78 2.62 0.28 5.49 -4.23 -1.26 -4.70 115.64 113.05 1c7b s THR 4 Ca 0.09 0.20 0.02 0.00 -1.18 0.00 0.00 61.69 60.83 1c7b s THR 4 Cb -0.09 -2.44 0.27 0.00 1.34 0.00 0.00 72.50 71.57 1c7b s THR 4 CO 0.02 -0.26 1.74 -0.65 -0.54 0.00 0.00 174.62 174.92 1c7b h PRO 5 N -1.57 0.55 -0.50 3.99 0.11 -2.00 0.10 132.00 132.69 1c7b h PRO 5 Ca -0.44 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.58 1c7b h PRO 5 Cb 1.26 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1c7b h PRO 5 CO 0.46 0.37 0.09 0.93 -0.21 0.00 0.00 178.00 179.65 1c7b h GLU 6 N 0.57 0.82 -0.52 1.05 3.07 -2.00 -1.85 114.58 115.73 1c7b h GLU 6 Ca 0.52 -0.21 -0.07 0.00 -0.50 0.00 0.00 59.36 59.10 1c7b h GLU 6 Cb 0.86 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.65 1c7b h GLU 6 CO -0.42 0.81 0.04 0.93 -1.40 0.00 0.00 179.01 178.97 1c7b h GLU 7 N 0.70 0.89 -0.54 2.33 5.08 -1.62 -2.25 114.58 119.17 1c7b h GLU 7 Ca 0.15 -0.26 -0.12 0.00 -1.00 0.00 0.00 59.36 58.13 1c7b h GLU 7 Cb 0.38 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 1c7b h GLU 7 CO 0.01 0.90 -0.12 -0.22 -1.00 0.00 0.00 179.01 178.58 1c7b h LYS 8 N 0.77 1.04 -0.73 2.33 3.64 -0.75 -2.46 116.57 120.41 1c7b h LYS 8 Ca 0.15 -0.39 -0.03 0.00 -1.27 0.00 0.00 60.65 59.11 1c7b h LYS 8 Cb 0.46 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.19 1c7b h LYS 8 CO 0.02 1.08 0.32 1.03 -2.27 0.00 0.00 179.45 179.63 1c7b h SER 9 N 0.92 0.96 -0.75 4.20 0.87 -1.28 -1.81 113.55 116.66 1c7b h SER 9 Ca 0.14 -0.12 -0.05 0.00 -1.23 0.00 0.00 61.79 60.52 1c7b h SER 9 Cb 0.69 -0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.37 1c7b h SER 9 CO 0.05 0.84 0.27 0.00 -0.53 0.00 0.00 176.83 177.46 1c7b h ALA 10 N 1.30 0.98 0.11 6.23 0.00 -1.20 -1.79 119.26 124.89 1c7b h ALA 10 Ca 0.25 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1c7b h ALA 10 Cb 0.15 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1c7b h ALA 10 CO -0.03 0.63 -0.05 0.28 0.00 0.00 0.00 179.25 180.08 1c7b h VAL 11 N 1.10 1.08 -0.71 0.00 2.07 -1.11 -2.83 116.25 115.84 1c7b h VAL 11 Ca 0.25 -0.81 -0.07 0.00 0.82 0.00 0.00 66.70 66.89 1c7b h VAL 11 Cb 0.26 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 1c7b h VAL 11 CO -0.01 0.19 0.16 0.71 0.02 0.00 0.00 177.57 178.64 1c7b h THR 12 N -0.53 1.26 -0.57 2.57 1.35 -1.34 -1.49 112.91 114.17 1c7b h THR 12 Ca -0.02 -0.99 -0.10 0.00 -0.55 0.00 0.00 66.41 64.75 1c7b h THR 12 Cb 0.43 0.54 -0.02 0.00 -1.73 0.00 0.00 68.15 67.37 1c7b h THR 12 CO 0.03 0.38 -0.04 0.00 -0.25 0.00 0.00 175.52 175.64 1c7b h ALA 13 N 1.08 0.77 -0.36 6.62 0.00 -1.37 -2.59 119.26 123.41 1c7b h ALA 13 Ca 0.22 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 1c7b h ALA 13 Cb 0.39 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1c7b h ALA 13 CO 0.00 0.63 -0.37 1.25 0.00 0.00 0.00 179.25 180.77 1c7b h LEU 14 N 0.91 0.91 -1.54 0.00 5.85 -1.35 -3.14 115.31 116.95 1c7b h LEU 14 Ca 0.16 -0.41 -0.05 0.00 0.84 0.00 0.00 57.88 58.42 1c7b h LEU 14 Cb 0.60 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1c7b h LEU 14 CO 0.04 1.18 -0.22 -0.25 -0.34 0.00 0.00 178.44 178.85 1c7b h TRP 15 N 0.71 0.00 0.00 1.25 2.91 -1.07 -1.80 115.95 117.95 1c7b h TRP 15 Ca 0.06 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.08 1c7b h TRP 15 Cb 0.94 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.59 1c7b h TRP 15 CO 0.06 0.22 -0.00 0.78 -1.03 0.00 0.00 178.44 178.47 1c7b h GLY 16 N 1.18 0.00 -0.69 2.65 0.00 -1.41 -0.87 103.07 103.92 1c7b h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1c7b h GLY 16 CO 0.03 0.00 -0.35 0.28 0.00 0.00 0.00 176.54 176.50 1c7b n LYS 17 N -3.13 1.22 -2.93 4.80 5.02 -0.68 -4.95 118.16 117.51 1c7b n LYS 17 Ca -0.03 -0.93 -0.40 0.00 -2.02 0.00 0.00 58.31 54.92 1c7b n LYS 17 Cb 0.08 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.57 1c7b n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1c7b s VAL 18 N -2.42 4.97 -0.70 -0.18 1.01 -0.33 -4.99 120.40 117.76 1c7b s VAL 18 Ca 0.22 1.66 -0.26 0.00 0.00 0.00 0.00 61.98 63.60 1c7b s VAL 18 Cb 0.19 -4.14 0.04 0.00 0.00 0.00 0.00 36.38 32.47 1c7b s VAL 18 CO 0.52 0.23 1.17 0.21 0.00 0.00 0.00 175.10 177.23 1c7b s ASN 19 N 0.81 6.20 0.33 3.32 2.47 -1.26 -4.92 114.94 121.88 1c7b s ASN 19 Ca 0.42 -0.54 0.07 0.00 0.42 0.00 0.00 52.86 53.23 1c7b s ASN 19 Cb -0.19 -2.52 0.75 0.00 -1.45 0.00 0.00 41.25 37.85 1c7b s ASN 19 CO 0.22 -1.68 1.83 0.58 -3.72 0.00 0.00 177.10 174.33 1c7b h VAL 20 N 6.03 0.79 -0.01 -5.21 2.07 -1.95 -1.31 116.25 116.67 1c7b h VAL 20 Ca -0.28 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 1c7b h VAL 20 Cb 1.06 -0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1c7b h VAL 20 CO 1.24 0.14 0.00 0.44 0.02 0.00 0.00 177.57 179.41 1c7b h ASP 21 N 0.76 0.01 -0.19 0.57 3.32 -1.91 0.16 116.42 119.15 1c7b h ASP 21 Ca 0.51 -0.16 -0.08 0.00 0.02 0.00 0.00 57.03 57.33 1c7b h ASP 21 Cb 0.78 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.33 1c7b h ASP 21 CO -0.28 0.16 -0.18 -0.08 -1.72 0.00 0.00 179.24 177.14 1c7b h GLU 22 N -0.15 0.46 -0.45 3.56 4.81 -1.79 -2.02 114.58 119.00 1c7b h GLU 22 Ca 0.00 -0.24 -0.12 0.00 -0.13 0.00 0.00 59.36 58.87 1c7b h GLU 22 Cb 0.16 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.53 1c7b h GLU 22 CO -0.00 0.81 -0.20 0.28 -0.73 0.00 0.00 179.01 179.16 1c7b h VAL 23 N 0.12 1.27 -0.34 0.32 2.07 -1.31 -1.61 116.25 116.77 1c7b h VAL 23 Ca 0.03 -1.36 0.01 0.00 0.82 0.00 0.00 66.70 66.20 1c7b h VAL 23 Cb 0.72 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1c7b h VAL 23 CO 0.05 0.46 0.22 1.23 0.02 0.00 0.00 177.57 179.55 1c7b h GLY 24 N 0.78 0.48 1.21 2.17 0.00 -0.65 0.13 103.07 107.18 1c7b h GLY 24 Ca 0.10 -0.17 -0.02 0.00 0.00 0.00 0.00 47.33 47.24 1c7b h GLY 24 CO 0.06 0.16 0.36 -1.33 0.00 0.00 0.00 176.54 175.80 1c7b h GLY 25 N 0.44 1.10 1.04 4.60 0.00 -1.33 -1.64 103.07 107.27 1c7b h GLY 25 Ca 0.13 -0.52 -0.13 0.00 0.00 0.00 0.00 47.33 46.81 1c7b h GLY 25 CO -0.04 0.49 -0.30 -2.09 0.00 0.00 0.00 176.54 174.60 1c7b h GLU 26 N 1.02 0.81 -0.32 4.80 4.57 -0.69 -2.41 114.58 122.38 1c7b h GLU 26 Ca 0.25 -0.41 -0.13 0.00 -1.18 0.00 0.00 59.36 57.89 1c7b h GLU 26 Cb 0.08 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.67 1c7b h GLU 26 CO -0.04 1.05 -0.29 0.00 -1.18 0.00 0.00 179.01 178.55 1c7b h ALA 27 N 0.75 0.46 -0.47 2.92 0.00 -0.62 -1.24 119.26 121.05 1c7b h ALA 27 Ca 0.06 -0.41 -0.11 0.00 0.00 0.00 0.00 54.91 54.45 1c7b h ALA 27 Cb 0.88 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1c7b h ALA 27 CO 0.08 0.49 -0.15 1.25 0.00 0.00 0.00 179.25 180.91 1c7b h LEU 28 N 0.52 0.95 -0.51 0.00 5.85 -1.38 -1.96 115.31 118.79 1c7b h LEU 28 Ca 0.05 -0.38 -0.02 0.00 0.84 0.00 0.00 57.88 58.38 1c7b h LEU 28 Cb 0.87 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 1c7b h LEU 28 CO 0.07 1.11 0.25 1.23 -0.34 0.00 0.00 178.44 180.77 1c7b h GLY 29 N 0.79 0.79 1.53 3.75 0.00 -1.34 -2.28 103.07 106.31 1c7b h GLY 29 Ca 0.12 -0.39 -0.07 0.00 0.00 0.00 0.00 47.33 46.99 1c7b h GLY 29 CO 0.05 0.37 -0.06 3.21 0.00 0.00 0.00 176.54 180.11 1c7b h ARG 30 N 0.68 0.57 -0.64 4.80 3.08 -1.22 -1.62 114.38 120.05 1c7b h ARG 30 Ca 0.18 -0.15 0.07 0.00 0.07 0.00 0.00 59.98 60.15 1c7b h ARG 30 Cb 0.11 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.03 1c7b h ARG 30 CO -0.02 0.64 0.32 1.25 -1.07 0.00 0.00 179.97 181.09 1c7b h LEU 31 N 0.54 0.44 -0.91 3.04 5.85 -0.96 0.30 115.31 123.61 1c7b h LEU 31 Ca 0.11 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 1c7b h LEU 31 Cb 0.44 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1c7b h LEU 31 CO 0.02 0.28 -0.35 -0.07 -0.34 0.00 0.00 178.44 177.98 1c7b h LEU 32 N 0.58 0.00 0.10 2.25 3.38 -0.86 -1.25 115.31 119.52 1c7b h LEU 32 Ca 0.30 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.12 1c7b h LEU 32 Cb 0.25 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.01 1c7b h LEU 32 CO -0.22 0.35 -0.70 0.58 0.09 0.00 0.00 178.44 178.55 1c7b h VAL 33 N 0.00 1.51 0.07 1.22 2.07 -0.89 -3.30 116.25 116.93 1c7b h VAL 33 Ca -0.00 -2.47 -0.27 0.00 0.82 0.00 0.00 66.70 64.78 1c7b h VAL 33 Cb 0.90 3.17 -0.02 0.00 -1.52 0.00 0.00 31.29 33.82 1c7b h VAL 33 CO 0.05 0.68 -1.37 0.58 0.02 0.00 0.00 177.57 177.52 1c7b h VAL 34 N -0.53 1.31 -2.43 2.57 2.07 -0.36 -3.37 116.25 115.51 1c7b h VAL 34 Ca -0.13 -3.00 -0.60 0.00 0.82 0.00 0.00 66.70 63.79 1c7b h VAL 34 Cb 1.49 2.75 -0.41 0.00 -1.52 0.00 0.00 31.29 33.61 1c7b h VAL 34 CO 0.09 0.82 -0.71 -1.22 0.02 0.00 0.00 177.57 176.58 1c7b n TYR 35 N -3.37 2.42 0.37 1.57 4.01 -0.48 -4.98 117.16 116.71 1c7b n TYR 35 Ca -0.11 -4.02 0.06 0.00 -0.16 0.00 0.00 57.90 53.67 1c7b n TYR 35 Cb 1.01 -0.46 0.25 0.00 -0.31 0.00 0.00 39.34 39.83 1c7b n TYR 35 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1c7b n PRO 36 N 1.45 0.01 0.30 -0.72 -0.04 -1.24 -1.12 135.00 133.63 1c7b n PRO 36 Ca 0.26 0.32 0.19 0.00 -0.04 0.00 0.00 63.50 64.22 1c7b n PRO 36 Cb 0.42 -1.52 0.86 0.00 -0.04 0.00 0.00 33.50 33.22 1c7b n PRO 36 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 1c7b h TRP 37 N 0.00 0.00 0.00 0.54 0.09 -1.91 -1.90 115.95 112.77 1c7b h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1c7b h TRP 37 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.43 1c7b h TRP 37 CO 0.00 0.01 0.00 1.79 0.09 0.00 0.00 178.44 180.33 1c7b h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.44 -2.46 112.91 110.48 1c7b h THR 38 Ca -0.00 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 1c7b h THR 38 Cb 0.34 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 67.63 1c7b h THR 38 CO 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.27 1c7b n GLN 39 N -2.40 0.04 0.33 4.72 6.02 -0.71 -3.02 117.38 122.36 1c7b n GLN 39 Ca 0.00 0.37 0.21 0.00 -0.01 0.00 0.00 57.00 57.58 1c7b n GLN 39 Cb 0.16 -1.59 1.16 0.00 1.02 0.00 0.00 30.24 30.99 1c7b n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1c7b h ARG 40 N 0.00 0.00 -0.01 -1.09 0.11 -1.66 -0.59 114.38 111.13 1c7b h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1c7b h ARG 40 Cb 0.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.26 1c7b h ARG 40 CO 0.00 0.00 -0.12 1.19 0.10 0.00 0.00 179.97 181.14 1c7b n PHE 41 N -3.17 0.00 -2.13 4.08 3.72 -1.17 -4.43 117.46 114.36 1c7b n PHE 41 Ca -0.03 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1c7b n PHE 41 Cb 0.10 -0.04 0.10 0.00 -0.94 0.00 0.00 39.48 38.69 1c7b n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1c7b n PHE 42 N 0.00 0.63 0.02 1.38 3.72 -0.23 -4.84 117.46 118.15 1c7b n PHE 42 Ca 0.15 -1.39 0.14 0.00 -0.05 0.00 0.00 57.45 56.31 1c7b n PHE 42 Cb 0.39 -0.23 0.60 0.00 -0.94 0.00 0.00 39.48 39.30 1c7b n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1c7b h GLU 43 N 1.42 0.16 -0.18 -1.08 4.39 -1.77 -0.82 114.58 116.69 1c7b h GLU 43 Ca -0.03 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1c7b h GLU 43 Cb 1.42 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 30.03 1c7b h GLU 43 CO 0.18 0.11 0.00 -1.13 -1.16 0.00 0.00 179.01 177.01 1c7b n SER 44 N -4.45 1.19 0.04 1.42 3.41 -1.26 -3.89 113.62 110.08 1c7b n SER 44 Ca 0.07 -1.83 0.13 0.00 -0.26 0.00 0.00 58.87 56.97 1c7b n SER 44 Cb 0.40 -0.12 0.33 0.00 -0.26 0.00 0.00 64.21 64.56 1c7b n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1c7b n PHE 45 N 0.08 0.36 0.00 7.33 3.01 -0.31 -5.04 117.46 122.89 1c7b n PHE 45 Ca 0.11 0.11 0.00 0.00 1.01 0.00 0.00 57.45 58.68 1c7b n PHE 45 Cb 0.22 -0.57 0.00 0.00 -0.01 0.00 0.00 39.48 39.12 1c7b n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1c7b n GLY 46 N 1.41 0.81 3.62 1.37 0.00 -1.25 -4.74 105.19 106.41 1c7b n GLY 46 Ca 0.05 -1.69 -0.43 0.00 0.00 0.00 0.00 46.02 43.95 1c7b n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1c7b s ASP 47 N -4.00 6.68 -0.09 1.61 2.15 -1.26 -4.85 116.67 116.90 1c7b s ASP 47 Ca 0.00 1.03 0.13 0.00 0.43 0.00 0.00 52.55 54.14 1c7b s ASP 47 Cb 0.00 -2.54 0.22 0.00 -0.30 0.00 0.00 42.92 40.30 1c7b s ASP 47 CO 0.00 -1.11 1.11 0.18 -0.17 0.00 0.00 175.17 175.18 1c7b n LEU 48 N 7.65 1.61 0.07 -1.34 4.77 -1.26 -4.24 117.00 124.25 1c7b n LEU 48 Ca 0.14 -2.47 -0.08 0.00 -0.03 0.00 0.00 56.01 53.57 1c7b n LEU 48 Cb 0.47 -0.29 0.07 0.00 -2.33 0.00 0.00 43.42 41.34 1c7b n LEU 48 CO 0.64 0.62 0.40 0.77 -1.33 0.00 0.00 177.39 178.49 1c7b h SER 49 N 0.12 0.37 -2.98 -1.43 4.64 -1.92 -3.44 113.55 108.91 1c7b h SER 49 Ca -0.01 -0.23 -0.49 0.00 -0.47 0.00 0.00 61.79 60.59 1c7b h SER 49 Cb 1.16 -0.11 -0.14 0.00 -0.31 0.00 0.00 62.40 63.00 1c7b h SER 49 CO 0.00 0.94 -0.73 0.42 -0.87 0.00 0.00 176.83 176.60 1c7b s THR 50 N -3.65 1.86 0.21 2.95 -4.23 -1.26 -5.02 115.64 106.50 1c7b s THR 50 Ca -0.05 -2.23 -0.09 0.00 -1.18 0.00 0.00 61.69 58.14 1c7b s THR 50 Cb 0.11 -2.16 0.14 0.00 1.34 0.00 0.00 72.50 71.94 1c7b s THR 50 CO 0.82 -0.51 1.80 -0.65 -0.54 0.00 0.00 174.62 175.54 1c7b h PRO 51 N 2.46 0.64 -0.35 3.99 0.11 -1.98 0.11 132.00 136.97 1c7b h PRO 51 Ca -0.39 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.63 1c7b h PRO 51 Cb 1.23 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1c7b h PRO 51 CO 0.63 0.42 -0.00 -0.44 -0.21 0.00 0.00 178.00 178.39 1c7b h ASP 52 N 0.65 0.51 -0.36 -2.05 3.32 -1.98 -0.01 116.42 116.51 1c7b h ASP 52 Ca 0.30 -0.10 -0.08 0.00 0.02 0.00 0.00 57.03 57.17 1c7b h ASP 52 Cb 0.21 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1c7b h ASP 52 CO -0.20 0.59 -0.10 0.00 -1.72 0.00 0.00 179.24 177.81 1c7b h ALA 53 N 1.48 0.50 -0.14 3.45 0.00 -1.60 -2.83 119.26 120.11 1c7b h ALA 53 Ca 0.11 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1c7b h ALA 53 Cb 0.34 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1c7b h ALA 53 CO 0.01 0.36 0.09 0.28 0.00 0.00 0.00 179.25 179.99 1c7b h VAL 54 N 0.50 1.06 -0.02 0.00 2.07 -0.42 -1.81 116.25 117.63 1c7b h VAL 54 Ca 0.09 -0.15 -0.12 0.00 0.82 0.00 0.00 66.70 67.34 1c7b h VAL 54 Cb 0.61 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1c7b h VAL 54 CO 0.04 0.06 -0.54 0.24 0.02 0.00 0.00 177.57 177.39 1c7b h MET 55 N 0.17 0.05 -0.10 1.57 2.07 -1.02 -2.51 114.93 115.17 1c7b h MET 55 Ca 0.05 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.65 1c7b h MET 55 Cb 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.75 1c7b h MET 55 CO -0.01 0.58 0.00 0.41 1.07 0.00 0.00 176.91 178.96 1c7b n GLY 56 N 0.04 0.54 3.66 8.32 0.00 -1.07 -4.87 105.19 111.81 1c7b n GLY 56 Ca -0.02 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 45.04 1c7b n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1c7b s ASN 57 N -1.84 6.74 0.40 1.61 3.84 -0.69 -4.91 114.94 120.09 1c7b s ASN 57 Ca 0.34 1.94 0.08 0.00 0.21 0.00 0.00 52.86 55.43 1c7b s ASN 57 Cb 0.20 -2.54 0.83 0.00 -0.55 0.00 0.00 41.25 39.19 1c7b s ASN 57 CO 0.31 -0.90 1.99 1.55 -2.79 0.00 0.00 177.10 177.26 1c7b h PRO 58 N 9.14 0.41 -0.09 0.43 0.13 -1.90 -2.13 132.00 137.99 1c7b h PRO 58 Ca -0.33 -0.05 -0.12 0.00 -0.87 0.00 0.00 66.00 64.62 1c7b h PRO 58 Cb 1.14 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 1c7b h PRO 58 CO 0.97 0.37 -0.49 0.87 -0.23 0.00 0.00 178.00 179.49 1c7b h LYS 59 N 0.41 0.23 -0.33 0.86 1.57 -1.91 -0.64 116.57 116.76 1c7b h LYS 59 Ca 0.10 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1c7b h LYS 59 Cb 0.13 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1c7b h LYS 59 CO -0.01 0.67 0.09 0.28 -0.57 0.00 0.00 179.45 179.91 1c7b h VAL 60 N 0.18 1.21 -0.73 0.50 2.07 -1.75 -1.35 116.25 116.39 1c7b h VAL 60 Ca 0.01 -0.71 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 1c7b h VAL 60 Cb 0.93 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.72 1c7b h VAL 60 CO 0.07 0.24 0.31 0.11 0.02 0.00 0.00 177.57 178.33 1c7b h LYS 61 N 0.38 1.07 -0.49 1.57 1.57 -1.12 0.86 116.57 120.41 1c7b h LYS 61 Ca 0.11 -0.18 -0.11 0.00 -1.87 0.00 0.00 60.65 58.59 1c7b h LYS 61 Cb 0.28 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 1c7b h LYS 61 CO -0.00 0.87 -0.12 0.00 -0.57 0.00 0.00 179.45 179.63 1c7b h ALA 62 N 1.15 0.68 -0.18 3.86 0.00 -1.07 -1.65 119.26 122.05 1c7b h ALA 62 Ca 0.24 -0.35 -0.19 0.00 0.00 0.00 0.00 54.91 54.62 1c7b h ALA 62 Cb 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1c7b h ALA 62 CO -0.02 0.59 -0.65 1.25 0.00 0.00 0.00 179.25 180.42 1c7b h HIS 63 N 0.80 0.88 -0.98 0.00 -0.00 -1.01 -2.38 115.15 112.46 1c7b h HIS 63 Ca 0.12 -0.35 0.14 0.00 -0.00 0.00 0.00 60.37 60.29 1c7b h HIS 63 Cb 0.67 -0.15 -0.09 0.00 -0.00 0.00 0.00 27.41 27.84 1c7b h HIS 63 CO 0.05 1.14 0.62 0.78 -0.00 0.00 0.00 177.93 180.52 1c7b h GLY 64 N 0.87 1.58 1.49 5.26 0.00 -0.71 -0.70 103.07 110.86 1c7b h GLY 64 Ca -0.01 -0.39 -0.13 0.00 0.00 0.00 0.00 47.33 46.80 1c7b h GLY 64 CO 0.13 0.10 -0.37 1.70 0.00 0.00 0.00 176.54 178.10 1c7b h LYS 65 N 0.89 0.57 -0.44 4.80 3.64 -0.85 -2.02 116.57 123.17 1c7b h LYS 65 Ca 0.50 -0.27 -0.14 0.00 -1.27 0.00 0.00 60.65 59.47 1c7b h LYS 65 Cb 0.62 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.43 1c7b h LYS 65 CO -0.28 0.85 -0.30 -0.22 -2.27 0.00 0.00 179.45 177.24 1c7b h LYS 66 N 0.47 0.96 -0.17 1.90 3.64 -0.75 -1.54 116.57 121.09 1c7b h LYS 66 Ca 0.05 -0.45 -0.05 0.00 -1.27 0.00 0.00 60.65 58.93 1c7b h LYS 66 Cb 0.86 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.67 1c7b h LYS 66 CO 0.07 1.12 -0.07 0.28 -2.27 0.00 0.00 179.45 178.58 1c7b h VAL 67 N 0.81 1.31 0.00 2.00 2.07 -1.03 -2.38 116.25 119.03 1c7b h VAL 67 Ca 0.09 -1.10 -0.05 0.00 0.82 0.00 0.00 66.70 66.46 1c7b h VAL 67 Cb 0.88 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.32 1c7b h VAL 67 CO 0.08 0.33 -0.23 0.25 0.02 0.00 0.00 177.57 178.02 1c7b h LEU 68 N 0.04 0.00 -0.69 2.57 5.85 -1.40 -1.15 115.31 120.53 1c7b h LEU 68 Ca 0.04 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 1c7b h LEU 68 Cb 0.54 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 1c7b h LEU 68 CO 0.02 0.23 0.16 1.23 -0.34 0.00 0.00 178.44 179.75 1c7b h GLY 69 N 2.83 1.19 1.78 3.75 0.00 -1.16 0.13 103.07 111.59 1c7b h GLY 69 Ca -0.00 -0.75 -0.18 0.00 0.00 0.00 0.00 47.33 46.40 1c7b h GLY 69 CO 0.03 0.70 -0.78 0.00 0.00 0.00 0.00 176.54 176.49 1c7b h ALA 70 N 1.08 0.64 -0.46 3.60 0.00 -1.15 -1.55 119.26 121.41 1c7b h ALA 70 Ca 0.22 -0.66 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1c7b h ALA 70 Cb 0.38 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1c7b h ALA 70 CO 0.00 0.85 0.27 0.35 0.00 0.00 0.00 179.25 180.72 1c7b h PHE 71 N 0.13 0.61 -0.66 0.00 3.57 -1.02 -2.62 116.94 116.95 1c7b h PHE 71 Ca -0.03 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.53 1c7b h PHE 71 Cb 1.36 -0.20 -0.06 0.00 2.79 0.00 0.00 35.95 39.85 1c7b h PHE 71 CO 0.03 0.44 0.36 1.03 -2.23 0.00 0.00 178.31 177.94 1c7b h SER 72 N 0.61 0.53 0.09 0.41 0.87 -0.50 0.07 113.55 115.64 1c7b h SER 72 Ca 0.16 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.74 1c7b h SER 72 Cb 0.01 -0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 61.90 1c7b h SER 72 CO -0.03 0.34 -0.06 0.44 -0.53 0.00 0.00 176.83 177.00 1c7b h ASP 73 N 0.67 0.00 1.24 6.23 3.32 -1.04 -1.60 116.42 125.24 1c7b h ASP 73 Ca 0.30 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 57.28 1c7b h ASP 73 Cb 0.20 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 1c7b h ASP 73 CO -0.19 0.06 -0.30 1.23 -1.72 0.00 0.00 179.24 178.31 1c7b h GLY 74 N 0.24 0.00 2.00 2.75 0.00 -0.62 -2.71 103.07 104.74 1c7b h GLY 74 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1c7b h GLY 74 CO 0.01 0.00 0.00 1.41 0.00 0.00 0.00 176.54 177.96 1c7b h LEU 75 N 0.00 0.00 -0.45 3.11 3.38 -0.95 -1.82 115.31 118.58 1c7b h LEU 75 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1c7b h LEU 75 Cb 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 1c7b h LEU 75 CO 0.04 0.00 -0.18 0.00 0.09 0.00 0.00 178.44 178.39 1c7b n ALA 76 N -1.89 2.92 -2.57 1.53 0.00 -1.02 -4.05 120.51 115.44 1c7b n ALA 76 Ca 0.01 -0.36 -0.13 0.00 0.00 0.00 0.00 53.44 52.96 1c7b n ALA 76 Cb 0.22 -1.20 0.03 0.00 0.00 0.00 0.00 19.45 18.50 1c7b n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1c7b n HIS 77 N -0.67 1.93 0.28 0.00 8.25 -0.69 -4.91 115.22 119.41 1c7b n HIS 77 Ca 0.14 -2.63 0.17 0.00 -0.26 0.00 0.00 57.72 55.15 1c7b n HIS 77 Cb 0.32 -0.27 0.89 0.00 1.12 0.00 0.00 29.99 32.05 1c7b n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1c7b h LEU 78 N 2.69 0.00 -0.16 2.41 3.38 -1.68 -1.07 115.31 120.88 1c7b h LEU 78 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1c7b h LEU 78 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1c7b h LEU 78 CO 0.54 0.00 -0.07 0.47 0.09 0.00 0.00 178.44 179.47 1c7b n ASP 79 N -2.74 0.32 -2.73 -0.43 8.00 -1.26 -3.33 116.55 114.38 1c7b n ASP 79 Ca -0.02 -0.50 -0.08 0.00 0.71 0.00 0.00 54.79 54.90 1c7b n ASP 79 Cb 0.10 -0.12 0.08 0.00 -0.02 0.00 0.00 41.12 41.16 1c7b n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1c7b n ASN 80 N -1.04 -2.41 0.02 -2.24 2.85 -0.41 -3.96 115.26 108.07 1c7b n ASN 80 Ca 0.15 -3.52 -0.05 0.00 -0.11 0.00 0.00 54.58 51.04 1c7b n ASN 80 Cb 0.26 1.87 0.15 0.00 1.24 0.00 0.00 39.78 43.30 1c7b n ASN 80 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 1c7b h LEU 81 N 3.18 0.49 -0.60 1.20 3.38 -1.74 -2.18 115.31 119.04 1c7b h LEU 81 Ca -0.12 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.64 1c7b h LEU 81 Cb 1.09 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 1c7b h LEU 81 CO 0.16 0.82 0.37 0.11 0.09 0.00 0.00 178.44 179.99 1c7b h LYS 82 N 0.40 0.82 -0.02 1.13 1.57 -1.91 -1.26 116.57 117.30 1c7b h LYS 82 Ca 0.04 -0.07 -0.15 0.00 -1.87 0.00 0.00 60.65 58.60 1c7b h LYS 82 Cb 0.82 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 1c7b h LYS 82 CO 0.07 0.58 -0.68 0.78 -0.57 0.00 0.00 179.45 179.63 1c7b h GLY 83 N 0.81 0.09 1.36 3.86 0.00 -1.93 -2.71 103.07 104.55 1c7b h GLY 83 Ca 0.22 -0.13 -0.12 0.00 0.00 0.00 0.00 47.33 47.30 1c7b h GLY 83 CO -0.04 0.12 -0.26 -0.84 0.00 0.00 0.00 176.54 175.51 1c7b h THR 84 N 0.06 1.27 -0.55 4.70 2.02 -1.02 -3.28 112.91 116.11 1c7b h THR 84 Ca -0.01 -1.38 0.00 0.00 0.77 0.00 0.00 66.41 65.79 1c7b h THR 84 Cb 1.20 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 68.89 1c7b h THR 84 CO 0.09 0.46 0.00 0.49 0.37 0.00 0.00 175.52 176.93 1c7b n PHE 85 N -4.10 0.80 -0.20 3.16 3.72 -0.51 -4.67 117.46 115.67 1c7b n PHE 85 Ca -0.00 -0.52 -0.04 0.00 -0.05 0.00 0.00 57.45 56.84 1c7b n PHE 85 Cb 0.45 -0.04 0.06 0.00 -0.94 0.00 0.00 39.48 39.02 1c7b n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1c7b h ALA 86 N 3.25 0.76 -0.42 4.37 0.00 -1.55 0.18 119.26 125.85 1c7b h ALA 86 Ca 0.00 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1c7b h ALA 86 Cb 0.93 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1c7b h ALA 86 CO 0.02 0.02 -0.07 1.15 0.00 0.00 0.00 179.25 180.37 1c7b h THR 87 N 0.63 1.27 -0.01 0.00 2.02 -1.86 -1.82 112.91 113.14 1c7b h THR 87 Ca 0.25 -1.16 -0.10 0.00 0.77 0.00 0.00 66.41 66.17 1c7b h THR 87 Cb 0.10 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 1c7b h THR 87 CO -0.14 0.39 -0.47 -0.07 0.37 0.00 0.00 175.52 175.60 1c7b h LEU 88 N 0.62 0.03 -0.17 2.58 3.38 -1.82 -2.04 115.31 117.90 1c7b h LEU 88 Ca 0.11 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1c7b h LEU 88 Cb 0.59 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1c7b h LEU 88 CO 0.04 0.50 0.04 -1.28 0.09 0.00 0.00 178.44 177.83 1c7b h SER 89 N 0.03 0.26 -0.92 -0.43 0.87 -0.19 -0.79 113.55 112.37 1c7b h SER 89 Ca -0.00 -0.23 0.02 0.00 -1.23 0.00 0.00 61.79 60.34 1c7b h SER 89 Cb 0.84 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.68 1c7b h SER 89 CO 0.06 0.42 0.61 -0.33 -0.53 0.00 0.00 176.83 177.06 1c7b h GLU 90 N 0.08 1.19 -0.30 2.24 5.08 -1.23 -1.87 114.58 119.78 1c7b h GLU 90 Ca 0.05 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1c7b h GLU 90 Cb 0.26 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1c7b h GLU 90 CO 0.00 0.79 0.14 1.25 -1.00 0.00 0.00 179.01 180.19 1c7b h LEU 91 N 1.23 0.20 -1.15 1.33 5.85 -1.10 0.19 115.31 121.85 1c7b h LEU 91 Ca 0.35 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 59.00 1c7b h LEU 91 Cb -0.10 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 1c7b h LEU 91 CO -0.09 0.15 -0.41 0.45 -0.34 0.00 0.00 178.44 178.20 1c7b h HIS 92 N 0.30 0.00 0.00 1.25 3.86 -0.70 -1.42 115.15 118.44 1c7b h HIS 92 Ca 0.13 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1c7b h HIS 92 Cb 0.05 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.52 1c7b h HIS 92 CO -0.10 0.41 -0.02 0.00 0.86 0.00 0.00 177.93 179.08 1c7b h ASP 94 N -1.00 0.00 0.00 0.00 3.32 -0.68 -3.08 116.42 114.98 1c7b h ASP 94 Ca -0.00 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.84 1c7b h ASP 94 Cb 0.16 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.67 1c7b h ASP 94 CO -0.00 0.67 -1.79 0.29 -1.72 0.00 0.00 179.24 176.69 1c7b n LYS 95 N -3.28 0.34 0.06 3.56 4.76 -0.63 -4.71 118.16 118.26 1c7b n LYS 95 Ca 0.01 0.09 0.11 0.00 -2.87 0.00 0.00 58.31 55.65 1c7b n LYS 95 Cb 0.80 -1.25 0.01 0.00 -1.84 0.00 0.00 35.03 32.74 1c7b n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1c7b n LEU 96 N -2.98 0.65 -3.74 -0.35 4.77 -0.63 -4.98 117.00 109.73 1c7b n LEU 96 Ca -0.25 0.17 -0.22 0.00 -0.03 0.00 0.00 56.01 55.68 1c7b n LEU 96 Cb 0.76 -0.08 0.03 0.00 -2.33 0.00 0.00 43.42 41.79 1c7b n LEU 96 CO 0.13 -0.08 -0.08 1.41 -1.33 0.00 0.00 177.39 177.44 1c7b n HIS 97 N -2.34 -1.90 -3.42 -1.77 8.25 -0.67 -4.96 115.22 108.41 1c7b n HIS 97 Ca 0.00 0.83 -0.39 0.00 -0.26 0.00 0.00 57.72 57.91 1c7b n HIS 97 Cb 0.51 -4.29 -0.09 0.00 1.12 0.00 0.00 29.99 27.23 1c7b n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1c7b s VAL 98 N -3.68 5.19 -0.06 1.59 1.01 -0.39 -5.03 120.40 119.03 1c7b s VAL 98 Ca 0.04 0.41 -0.34 0.00 0.00 0.00 0.00 61.98 62.09 1c7b s VAL 98 Cb -0.02 -3.70 -0.12 0.00 0.00 0.00 0.00 36.38 32.54 1c7b s VAL 98 CO 0.82 0.11 1.86 -0.67 0.00 0.00 0.00 175.10 177.23 1c7b n ASP 99 N 5.31 3.49 0.16 3.32 2.03 -1.26 -4.74 116.55 124.86 1c7b n ASP 99 Ca -0.09 0.98 0.12 0.00 0.52 0.00 0.00 54.79 56.31 1c7b n ASP 99 Cb 0.51 -1.39 0.59 0.00 -0.72 0.00 0.00 41.12 40.10 1c7b n ASP 99 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 1c7b n PRO 100 N 6.43 0.16 0.22 -0.67 -0.02 -1.26 -1.01 135.00 138.85 1c7b n PRO 100 Ca 0.22 0.60 0.15 0.00 -2.02 0.00 0.00 63.50 62.45 1c7b n PRO 100 Cb 0.30 -1.96 0.79 0.00 -0.02 0.00 0.00 33.50 32.62 1c7b n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1c7b h GLU 101 N 0.00 0.00 -0.26 -0.52 4.57 -1.99 -0.91 114.58 115.47 1c7b h GLU 101 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 1c7b h GLU 101 Cb 0.08 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 1c7b h GLU 101 CO 0.00 0.00 0.05 -0.91 -1.18 0.00 0.00 179.01 176.97 1c7b h ASN 102 N 0.00 0.34 -0.25 1.04 2.35 -1.45 -1.84 115.58 115.78 1c7b h ASN 102 Ca 0.06 -0.04 -0.05 0.00 -0.55 0.00 0.00 56.30 55.73 1c7b h ASN 102 Cb 0.31 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 1c7b h ASN 102 CO -0.00 0.36 0.02 -0.26 -1.65 0.00 0.00 177.43 175.90 1c7b h PHE 103 N 0.37 0.56 -0.23 1.19 0.04 -1.35 -0.81 116.94 116.70 1c7b h PHE 103 Ca 0.09 -0.05 -0.20 0.00 2.80 0.00 0.00 57.97 60.61 1c7b h PHE 103 Cb 0.18 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.17 1c7b h PHE 103 CO 0.00 0.54 -0.64 0.00 -0.60 0.00 0.00 178.31 177.61 1c7b h ARG 104 N 0.52 0.84 -0.70 1.51 3.08 -1.38 -1.70 114.38 116.54 1c7b h ARG 104 Ca 0.11 -0.59 -0.02 0.00 0.07 0.00 0.00 59.98 59.56 1c7b h ARG 104 Cb 0.31 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 1c7b h ARG 104 CO 0.01 1.21 0.37 -0.07 -1.07 0.00 0.00 179.97 180.42 1c7b h LEU 105 N 0.62 0.90 -0.92 3.04 3.38 -1.06 -1.83 115.31 119.44 1c7b h LEU 105 Ca -0.01 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 1c7b h LEU 105 Cb 1.26 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 1c7b h LEU 105 CO 0.14 0.76 0.24 0.25 0.09 0.00 0.00 178.44 179.92 1c7b h LEU 106 N 0.98 0.96 -0.69 1.67 5.85 -1.07 -2.16 115.31 120.85 1c7b h LEU 106 Ca 0.25 -0.15 0.09 0.00 0.84 0.00 0.00 57.88 58.91 1c7b h LEU 106 Cb 0.07 -0.25 -0.07 0.00 0.37 0.00 0.00 40.66 40.78 1c7b h LEU 106 CO -0.04 0.88 0.32 1.23 -0.34 0.00 0.00 178.44 180.49 1c7b h GLY 107 N 1.08 1.02 0.91 3.75 0.00 -0.85 0.15 103.07 109.12 1c7b h GLY 107 Ca 0.23 -0.20 -0.06 0.00 0.00 0.00 0.00 47.33 47.30 1c7b h GLY 107 CO -0.01 0.04 -0.03 0.50 0.00 0.00 0.00 176.54 177.03 1c7b h LYS 108 N 0.55 0.61 -0.50 4.80 1.57 -0.83 -2.38 116.57 120.38 1c7b h LYS 108 Ca 0.34 -0.21 -0.09 0.00 -1.87 0.00 0.00 60.65 58.82 1c7b h LYS 108 Cb 0.38 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1c7b h LYS 108 CO -0.28 0.75 -0.03 0.28 -0.57 0.00 0.00 179.45 179.60 1c7b h VAL 109 N 0.40 1.27 -0.98 0.50 2.07 -1.18 -2.07 116.25 116.26 1c7b h VAL 109 Ca 0.09 -1.14 0.04 0.00 0.82 0.00 0.00 66.70 66.52 1c7b h VAL 109 Cb 0.50 0.99 -0.06 0.00 -1.52 0.00 0.00 31.29 31.19 1c7b h VAL 109 CO 0.02 0.40 0.64 0.25 0.02 0.00 0.00 177.57 178.90 1c7b h LEU 110 N 0.77 1.05 -0.76 2.57 5.85 -0.89 0.45 115.31 124.36 1c7b h LEU 110 Ca 0.14 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.78 1c7b h LEU 110 Cb 0.56 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1c7b h LEU 110 CO 0.03 0.71 0.12 0.58 -0.34 0.00 0.00 178.44 179.55 1c7b h VAL 111 N 1.22 1.26 -0.80 1.05 2.07 -1.09 -0.83 116.25 119.13 1c7b h VAL 111 Ca 0.39 -0.99 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 1c7b h VAL 111 Cb 0.03 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.38 1c7b h VAL 111 CO -0.13 0.38 0.40 0.00 0.02 0.00 0.00 177.57 178.23 1c7b h VAL 113 N 1.12 1.28 -0.71 0.00 2.07 -0.43 -0.11 116.25 119.48 1c7b h VAL 113 Ca 0.28 -1.47 -0.07 0.00 0.82 0.00 0.00 66.70 66.25 1c7b h VAL 113 Cb 0.08 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 1c7b h VAL 113 CO -0.04 0.49 0.16 -0.07 0.02 0.00 0.00 177.57 178.13 1c7b h LEU 114 N 0.71 1.08 -0.69 2.57 3.38 -0.93 -0.40 115.31 121.04 1c7b h LEU 114 Ca 0.08 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1c7b h LEU 114 Cb 0.87 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 1c7b h LEU 114 CO 0.08 1.04 0.41 0.00 0.09 0.00 0.00 178.44 180.06 1c7b h ALA 115 N 1.09 0.87 -0.50 1.53 0.00 -1.10 -0.62 119.26 120.53 1c7b h ALA 115 Ca 0.22 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.94 1c7b h ALA 115 Cb 0.39 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1c7b h ALA 115 CO 0.00 0.35 -0.11 1.25 0.00 0.00 0.00 179.25 180.75 1c7b h HIS 116 N 0.93 1.06 -0.19 0.00 -0.00 -0.60 -0.17 115.15 116.18 1c7b h HIS 116 Ca 0.25 -0.22 -0.09 0.00 -0.00 0.00 0.00 60.37 60.30 1c7b h HIS 116 Cb -0.02 -0.26 -0.00 0.00 -0.00 0.00 0.00 27.41 27.13 1c7b h HIS 116 CO -0.01 1.01 -0.24 1.25 -0.00 0.00 0.00 177.93 179.94 1c7b h HIS 117 N 0.80 0.61 0.00 5.26 6.17 -0.94 -3.36 115.15 123.70 1c7b h HIS 117 Ca 0.13 -0.20 0.00 0.00 0.71 0.00 0.00 60.37 61.01 1c7b h HIS 117 Cb 0.66 -0.12 0.00 0.00 2.52 0.00 0.00 27.41 30.47 1c7b h HIS 117 CO 0.05 0.88 -1.40 1.19 0.71 0.00 0.00 177.93 179.36 1c7b n PHE 118 N -4.41 0.00 0.00 5.26 3.72 -0.25 -5.04 117.46 116.74 1c7b n PHE 118 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 1c7b n PHE 118 Cb 0.43 -0.21 0.00 0.00 -0.94 0.00 0.00 39.48 38.77 1c7b n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1c7b n GLY 119 N 1.40 3.60 0.27 1.37 0.00 -0.08 -2.76 105.19 109.00 1c7b n GLY 119 Ca 0.01 -0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.10 1c7b n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1c7b h LYS 120 N 0.00 0.00 0.00 1.61 2.10 -1.96 -0.92 116.57 117.40 1c7b h LYS 120 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1c7b h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1c7b h LYS 120 CO 0.00 0.09 -0.05 1.49 -2.00 0.00 0.00 179.45 178.98 1c7b h GLU 121 N 0.00 0.00 -4.24 0.07 4.81 -1.92 -3.30 114.58 110.00 1c7b h GLU 121 Ca -0.00 0.00 -0.73 0.00 -0.13 0.00 0.00 59.36 58.50 1c7b h GLU 121 Cb 0.30 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 29.55 1c7b h GLU 121 CO 0.01 0.05 2.07 0.34 -0.73 0.00 0.00 179.01 180.74 1c7b n PHE 122 N -3.85 3.83 -1.42 0.92 7.35 -0.35 -4.94 117.46 118.99 1c7b n PHE 122 Ca -0.03 -2.99 -0.30 0.00 -0.76 0.00 0.00 57.45 53.38 1c7b n PHE 122 Cb 0.14 -2.21 0.12 0.00 0.35 0.00 0.00 39.48 37.87 1c7b n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1c7b s THR 123 N 1.71 2.69 0.20 -2.13 -4.23 -1.25 -4.69 115.64 107.95 1c7b s THR 123 Ca 0.44 0.22 -0.11 0.00 -1.18 0.00 0.00 61.69 61.06 1c7b s THR 123 Cb 0.06 -2.88 0.16 0.00 1.34 0.00 0.00 72.50 71.19 1c7b s THR 123 CO -0.00 -0.29 1.69 -0.65 -0.54 0.00 0.00 174.62 174.83 1c7b h PRO 124 N -1.35 0.19 -0.10 3.99 0.11 -1.93 -0.15 132.00 132.75 1c7b h PRO 124 Ca -0.49 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 1c7b h PRO 124 Cb 1.29 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1c7b h PRO 124 CO 0.58 0.12 -0.27 -1.35 -0.21 0.00 0.00 178.00 176.88 1c7b h PRO 125 N 0.19 0.18 -0.29 1.05 0.11 -1.99 -1.45 132.00 129.79 1c7b h PRO 125 Ca 0.30 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.27 1c7b h PRO 125 Cb 0.46 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 1c7b h PRO 125 CO -0.43 0.44 -0.12 0.28 -0.21 0.00 0.00 178.00 177.96 1c7b h VAL 126 N 0.16 1.29 -0.63 3.15 2.07 -1.74 -2.66 116.25 117.88 1c7b h VAL 126 Ca 0.03 -1.21 0.09 0.00 0.82 0.00 0.00 66.70 66.43 1c7b h VAL 126 Cb 0.57 1.47 -0.07 0.00 -1.52 0.00 0.00 31.29 31.74 1c7b h VAL 126 CO 0.04 0.38 0.26 -0.61 0.02 0.00 0.00 177.57 177.67 1c7b h GLN 127 N 0.34 0.45 -0.80 1.57 4.15 -0.86 -1.79 115.11 118.16 1c7b h GLN 127 Ca 0.07 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.46 1c7b h GLN 127 Cb 0.64 -0.10 -0.04 0.00 0.21 0.00 0.00 27.48 28.19 1c7b h GLN 127 CO 0.04 0.29 0.50 0.00 -1.93 0.00 0.00 178.83 177.73 1c7b h ALA 128 N 1.42 1.36 -0.48 3.38 0.00 -1.13 0.27 119.26 124.08 1c7b h ALA 128 Ca 0.32 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 1c7b h ALA 128 Cb 0.38 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1c7b h ALA 128 CO -0.30 0.56 -0.15 0.00 0.00 0.00 0.00 179.25 179.36 1c7b h ALA 129 N 1.44 0.66 -0.38 0.00 0.00 -1.12 -2.67 119.26 117.19 1c7b h ALA 129 Ca 0.29 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 1c7b h ALA 129 Cb -0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1c7b h ALA 129 CO -0.06 0.60 -0.18 1.88 0.00 0.00 0.00 179.25 181.49 1c7b h TYR 130 N 0.80 0.82 -0.65 0.00 0.05 -0.52 -2.46 116.97 115.00 1c7b h TYR 130 Ca 0.12 -0.17 0.00 0.00 0.05 0.00 0.00 58.73 58.73 1c7b h TYR 130 Cb 0.72 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 38.23 1c7b h TYR 130 CO 0.05 0.86 0.41 1.96 -1.05 0.00 0.00 178.16 180.39 1c7b h GLN 131 N 0.65 0.87 -0.60 4.88 1.08 -0.37 0.94 115.11 122.55 1c7b h GLN 131 Ca 0.10 -0.06 -0.08 0.00 -1.45 0.00 0.00 58.65 57.15 1c7b h GLN 131 Cb 0.67 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.89 1c7b h GLN 131 CO 0.05 0.59 0.05 0.87 -0.95 0.00 0.00 178.83 179.45 1c7b h LYS 132 N 0.89 1.02 -0.27 1.46 1.57 -1.18 -2.19 116.57 117.87 1c7b h LYS 132 Ca 0.24 -0.30 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 1c7b h LYS 132 Cb -0.06 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.13 1c7b h LYS 132 CO -0.05 0.98 -0.21 0.28 -0.57 0.00 0.00 179.45 179.88 1c7b h VAL 133 N 0.92 1.30 -0.00 0.50 2.07 -0.95 -0.73 116.25 119.37 1c7b h VAL 133 Ca 0.18 -1.35 -0.10 0.00 0.82 0.00 0.00 66.70 66.24 1c7b h VAL 133 Cb 0.49 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1c7b h VAL 133 CO 0.02 0.43 -0.48 -0.37 0.02 0.00 0.00 177.57 177.19 1c7b h VAL 134 N 0.36 1.35 -0.52 2.57 -1.51 -0.81 -0.92 116.25 116.77 1c7b h VAL 134 Ca 0.05 -1.65 -0.10 0.00 -1.23 0.00 0.00 66.70 63.77 1c7b h VAL 134 Cb 0.76 1.89 -0.02 0.00 -2.13 0.00 0.00 31.29 31.79 1c7b h VAL 134 CO 0.06 0.47 -0.08 0.00 -1.23 0.00 0.00 177.57 176.79 1c7b h ALA 135 N 1.52 0.71 -0.47 5.19 0.00 -1.30 -1.95 119.26 122.96 1c7b h ALA 135 Ca -0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 1c7b h ALA 135 Cb 0.85 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1c7b h ALA 135 CO 0.06 0.60 0.16 0.78 0.00 0.00 0.00 179.25 180.86 1c7b h GLY 136 N 0.84 0.76 0.87 0.00 0.00 -0.64 -1.37 103.07 103.54 1c7b h GLY 136 Ca 0.14 -0.43 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 1c7b h GLY 136 CO 0.04 0.41 0.07 -2.08 0.00 0.00 0.00 176.54 174.98 1c7b h VAL 137 N 0.61 1.18 -0.70 4.60 2.07 -1.16 -0.30 116.25 122.55 1c7b h VAL 137 Ca 0.15 -0.58 0.06 0.00 0.82 0.00 0.00 66.70 67.16 1c7b h VAL 137 Cb 0.23 1.18 -0.06 0.00 -1.52 0.00 0.00 31.29 31.13 1c7b h VAL 137 CO -0.01 0.18 0.40 0.00 0.02 0.00 0.00 177.57 178.16 1c7b h ALA 138 N 0.89 0.94 -0.41 1.67 0.00 -1.31 -1.01 119.26 120.03 1c7b h ALA 138 Ca 0.07 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1c7b h ALA 138 Cb 0.22 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1c7b h ALA 138 CO -0.00 0.09 -0.06 -0.91 0.00 0.00 0.00 179.25 178.37 1c7b h ASN 139 N 0.73 0.68 -0.41 0.00 2.35 -1.02 -2.07 115.58 115.83 1c7b h ASN 139 Ca 0.31 -0.17 -0.07 0.00 -0.55 0.00 0.00 56.30 55.81 1c7b h ASN 139 Cb 0.18 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 1c7b h ASN 139 CO -0.18 0.79 0.02 0.00 -1.65 0.00 0.00 177.43 176.40 1c7b h ALA 140 N 1.29 1.11 0.00 -0.83 0.00 -0.39 -2.71 119.26 117.73 1c7b h ALA 140 Ca 0.12 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1c7b h ALA 140 Cb 0.49 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1c7b h ALA 140 CO 0.03 0.57 -0.39 -0.07 0.00 0.00 0.00 179.25 179.39 1c7b h LEU 141 N 0.75 0.00 -0.63 0.00 3.38 -0.79 -3.05 115.31 114.97 1c7b h LEU 141 Ca 0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1c7b h LEU 141 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1c7b h LEU 141 CO 0.02 0.39 -0.15 0.00 0.09 0.00 0.00 178.44 178.79 1c7b n ALA 142 N -2.26 2.87 -0.02 1.53 0.00 -0.82 -4.43 120.51 117.38 1c7b n ALA 142 Ca 0.01 -0.40 -0.05 0.00 0.00 0.00 0.00 53.44 52.99 1c7b n ALA 142 Cb 0.57 -1.17 0.15 0.00 0.00 0.00 0.00 19.45 19.01 1c7b n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1c7b h HIS 143 N 1.54 0.67 -0.53 0.00 6.17 -1.37 -2.78 115.15 118.84 1c7b h HIS 143 Ca 0.00 -0.15 0.00 0.00 0.71 0.00 0.00 60.37 60.93 1c7b h HIS 143 Cb 0.48 -0.16 0.00 0.00 2.52 0.00 0.00 27.41 30.25 1c7b h HIS 143 CO 0.00 0.79 0.00 1.63 0.71 0.00 0.00 177.93 181.06 1c7b n LYS 144 N -4.11 2.83 -2.14 5.26 4.76 -1.26 -4.91 118.16 118.58 1c7b n LYS 144 Ca -0.00 -2.16 -0.36 0.00 -2.87 0.00 0.00 58.31 52.92 1c7b n LYS 144 Cb 0.43 -1.64 0.01 0.00 -1.84 0.00 0.00 35.03 31.99 1c7b n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1c7b s TYR 145 N -1.58 2.63 0.00 2.13 1.51 -1.05 -4.74 117.35 116.24 1c7b s TYR 145 Ca 0.39 1.51 0.00 0.00 -1.01 0.00 0.00 57.07 57.96 1c7b s TYR 145 Cb 0.23 -3.43 0.00 0.00 -0.11 0.00 0.00 41.96 38.65 1c7b s TYR 145 CO 0.22 -1.87 0.00 -2.39 -1.11 0.00 0.00 175.55 170.40