#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c7b s LEU 2 N 0.00 4.47 0.80 -0.89 1.43 -1.26 -5.06 118.68 118.18 1c7b s LEU 2 Ca 0.00 -0.30 -0.11 0.00 -1.03 0.00 0.00 54.13 52.69 1c7b s LEU 2 Cb 0.00 -2.74 0.07 0.00 0.03 0.00 0.00 46.19 43.55 1c7b s LEU 2 CO 0.00 -0.77 1.10 -0.94 0.23 0.00 0.00 176.35 175.96 1c7b s SER 3 N 2.00 4.44 0.28 2.29 1.04 -1.26 -4.84 113.70 117.64 1c7b s SER 3 Ca 0.23 1.30 0.02 0.00 0.48 0.00 0.00 55.95 57.97 1c7b s SER 3 Cb -0.14 -2.02 0.58 0.00 0.10 0.00 0.00 66.02 64.53 1c7b s SER 3 CO 0.19 -2.00 1.82 -0.65 0.98 0.00 0.00 173.24 173.57 1c7b h PRO 4 N -1.11 0.89 0.00 4.02 0.11 -2.00 -1.28 132.00 132.63 1c7b h PRO 4 Ca -0.47 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 65.47 1c7b h PRO 4 Cb 1.27 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 1c7b h PRO 4 CO 0.59 0.59 -0.54 0.00 -0.21 0.00 0.00 178.00 178.43 1c7b h ALA 5 N 1.56 1.06 -0.58 -0.75 0.00 -1.99 -1.92 119.26 116.64 1c7b h ALA 5 Ca 0.51 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1c7b h ALA 5 Cb 0.57 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1c7b h ALA 5 CO -0.29 0.68 0.18 -0.44 0.00 0.00 0.00 179.25 179.38 1c7b h ASP 6 N 0.00 0.85 -0.70 0.00 3.32 -1.63 -1.62 116.42 116.64 1c7b h ASP 6 Ca -0.01 -0.21 -0.06 0.00 0.02 0.00 0.00 57.03 56.78 1c7b h ASP 6 Cb 0.98 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 40.28 1c7b h ASP 6 CO 0.07 0.83 0.22 0.11 -1.72 0.00 0.00 179.24 178.75 1c7b h LYS 7 N 0.82 1.09 -0.67 3.56 1.57 -0.82 -1.00 116.57 121.12 1c7b h LYS 7 Ca 0.19 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1c7b h LYS 7 Cb 0.28 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.40 1c7b h LYS 7 CO -0.01 0.94 0.42 1.15 -0.57 0.00 0.00 179.45 181.39 1c7b h THR 8 N 1.03 1.18 -0.65 -0.16 2.02 -1.21 -2.00 112.91 113.12 1c7b h THR 8 Ca 0.23 -0.37 -0.04 0.00 0.77 0.00 0.00 66.41 67.00 1c7b h THR 8 Cb 0.30 0.23 -0.03 0.00 -1.74 0.00 0.00 68.15 66.91 1c7b h THR 8 CO -0.01 0.18 0.27 0.78 0.37 0.00 0.00 175.52 177.11 1c7b h ASN 9 N 0.91 0.90 -0.36 4.18 2.35 -0.90 -2.37 115.58 120.29 1c7b h ASN 9 Ca 0.24 -0.17 -0.07 0.00 -0.55 0.00 0.00 56.30 55.75 1c7b h ASN 9 Cb -0.07 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.06 1c7b h ASN 9 CO -0.05 0.82 -0.06 0.58 -1.65 0.00 0.00 177.43 177.07 1c7b h VAL 10 N 0.92 1.27 -0.60 2.81 2.07 -0.87 -1.56 116.25 120.30 1c7b h VAL 10 Ca 0.22 -1.10 -0.03 0.00 0.82 0.00 0.00 66.70 66.61 1c7b h VAL 10 Cb 0.20 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 1c7b h VAL 10 CO -0.02 0.36 0.25 0.11 0.02 0.00 0.00 177.57 178.29 1c7b h LYS 11 N 0.47 0.89 -0.51 1.57 1.57 -1.33 0.25 116.57 119.47 1c7b h LYS 11 Ca 0.09 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 1c7b h LYS 11 Cb 0.55 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.69 1c7b h LYS 11 CO 0.03 0.76 0.20 0.00 -0.57 0.00 0.00 179.45 179.86 1c7b h ALA 12 N 1.09 0.66 -0.34 3.86 0.00 -1.41 0.44 119.26 123.56 1c7b h ALA 12 Ca 0.20 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1c7b h ALA 12 Cb 0.19 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1c7b h ALA 12 CO -0.02 0.28 -0.03 0.00 0.00 0.00 0.00 179.25 179.48 1c7b h ALA 13 N 1.04 0.47 -0.14 0.00 0.00 -0.82 -2.27 119.26 117.53 1c7b h ALA 13 Ca 0.17 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1c7b h ALA 13 Cb 0.21 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1c7b h ALA 13 CO -0.01 0.26 -0.45 2.35 0.00 0.00 0.00 179.25 181.40 1c7b h TRP 14 N 0.43 0.42 -0.99 0.00 2.91 -0.49 -2.16 115.95 116.07 1c7b h TRP 14 Ca 0.09 -0.13 0.02 0.00 1.13 0.00 0.00 58.89 60.00 1c7b h TRP 14 Cb 0.51 -0.09 -0.05 0.00 -0.51 0.00 0.00 29.16 29.02 1c7b h TRP 14 CO 0.04 0.74 0.66 0.78 -1.03 0.00 0.00 178.44 179.63 1c7b h GLY 15 N 1.21 1.41 1.73 2.65 0.00 -0.80 -1.33 103.07 107.93 1c7b h GLY 15 Ca 0.02 -0.51 -0.05 0.00 0.00 0.00 0.00 47.33 46.78 1c7b h GLY 15 CO 0.08 0.49 -0.09 1.70 0.00 0.00 0.00 176.54 178.72 1c7b h LYS 16 N 1.32 0.34 -0.22 4.80 1.63 -1.04 -2.80 116.57 120.60 1c7b h LYS 16 Ca 0.37 -0.08 -0.02 0.00 -0.85 0.00 0.00 60.65 60.08 1c7b h LYS 16 Cb -0.12 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.46 1c7b h LYS 16 CO -0.09 0.44 0.06 0.28 -3.45 0.00 0.00 179.45 176.70 1c7b h VAL 17 N 0.32 1.20 0.00 2.00 2.07 -0.63 -3.46 116.25 117.75 1c7b h VAL 17 Ca 0.07 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1c7b h VAL 17 Cb 0.37 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1c7b h VAL 17 CO 0.02 0.20 0.00 0.61 0.02 0.00 0.00 177.57 178.42 1c7b n GLY 18 N -0.58 3.70 0.02 2.17 0.00 -0.74 -1.88 105.19 107.88 1c7b n GLY 18 Ca -0.04 0.21 0.14 0.00 0.00 0.00 0.00 46.02 46.34 1c7b n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c7b n ALA 19 N 12.07 2.54 1.21 4.61 0.00 -1.26 -3.04 120.51 136.63 1c7b n ALA 19 Ca 0.00 -0.16 0.10 0.00 0.00 0.00 0.00 53.44 53.38 1c7b n ALA 19 Cb 0.00 -1.44 0.37 0.00 0.00 0.00 0.00 19.45 18.37 1c7b n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1c7b n HIS 20 N -1.30 0.22 -0.10 0.00 -0.00 -0.79 -4.43 115.22 108.82 1c7b n HIS 20 Ca 0.12 -0.11 -0.07 0.00 -0.00 0.00 0.00 57.72 57.67 1c7b n HIS 20 Cb 0.28 0.00 0.01 0.00 -0.00 0.00 0.00 29.99 30.28 1c7b n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1c7b h ALA 21 N 4.04 0.42 -0.89 -1.41 0.00 -1.69 -0.30 119.26 119.42 1c7b h ALA 21 Ca 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1c7b h ALA 21 Cb 0.49 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 1c7b h ALA 21 CO 0.00 -0.25 0.56 0.78 0.00 0.00 0.00 179.25 180.34 1c7b h GLY 22 N 0.30 1.28 1.01 0.00 0.00 -1.84 0.30 103.07 104.12 1c7b h GLY 22 Ca 0.16 -0.51 -0.09 0.00 0.00 0.00 0.00 47.33 46.88 1c7b h GLY 22 CO -0.15 0.50 -0.09 -2.09 0.00 0.00 0.00 176.54 174.71 1c7b h GLU 23 N 1.22 0.85 -0.28 4.80 4.81 -1.70 -2.26 114.58 122.03 1c7b h GLU 23 Ca 0.32 -0.32 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 1c7b h GLU 23 Cb -0.08 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 1c7b h GLU 23 CO -0.06 0.95 -0.23 1.88 -0.73 0.00 0.00 179.01 180.82 1c7b h TYR 24 N 0.68 0.58 -0.48 0.92 0.05 -0.69 -1.16 116.97 116.87 1c7b h TYR 24 Ca 0.11 -0.12 -0.02 0.00 0.05 0.00 0.00 58.73 58.75 1c7b h TYR 24 Cb 0.63 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.20 1c7b h TYR 24 CO 0.05 0.71 0.21 0.78 -1.05 0.00 0.00 178.16 178.86 1c7b h GLY 25 N 1.00 0.75 1.13 3.88 0.00 -0.81 -0.59 103.07 108.43 1c7b h GLY 25 Ca 0.07 -0.39 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 1c7b h GLY 25 CO 0.05 0.37 0.47 0.00 0.00 0.00 0.00 176.54 177.43 1c7b h ALA 26 N 1.05 1.26 -0.31 3.60 0.00 -1.15 -1.94 119.26 121.78 1c7b h ALA 26 Ca 0.16 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 1c7b h ALA 26 Cb 0.16 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1c7b h ALA 26 CO -0.02 0.61 -0.27 1.49 0.00 0.00 0.00 179.25 181.06 1c7b h GLU 27 N 1.15 0.64 -0.40 0.00 4.81 -0.86 -2.39 114.58 117.53 1c7b h GLU 27 Ca 0.29 -0.27 -0.12 0.00 -0.13 0.00 0.00 59.36 59.14 1c7b h GLU 27 Cb 0.00 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1c7b h GLU 27 CO -0.05 0.84 -0.22 0.00 -0.73 0.00 0.00 179.01 178.85 1c7b h ALA 28 N 1.15 0.85 -0.50 2.92 0.00 -0.73 -1.10 119.26 121.84 1c7b h ALA 28 Ca 0.07 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 1c7b h ALA 28 Cb 0.76 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1c7b h ALA 28 CO 0.06 0.64 0.21 -0.07 0.00 0.00 0.00 179.25 180.08 1c7b h LEU 29 N 0.70 0.68 -1.15 0.00 3.38 -1.26 -0.98 115.31 116.67 1c7b h LEU 29 Ca 0.10 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 1c7b h LEU 29 Cb 0.74 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.29 1c7b h LEU 29 CO 0.06 0.65 0.18 -0.08 0.09 0.00 0.00 178.44 179.35 1c7b h GLU 30 N 0.66 0.78 -0.70 1.13 4.81 -1.19 0.41 114.58 120.48 1c7b h GLU 30 Ca 0.17 -0.13 -0.07 0.00 -0.13 0.00 0.00 59.36 59.20 1c7b h GLU 30 Cb 0.18 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 1c7b h GLU 30 CO -0.01 0.66 0.16 0.00 -0.73 0.00 0.00 179.01 179.09 1c7b h ARG 31 N 0.77 1.13 -0.07 1.92 3.08 -0.96 -2.26 114.38 117.98 1c7b h ARG 31 Ca 0.18 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1c7b h ARG 31 Cb 0.20 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 1c7b h ARG 31 CO -0.01 1.00 0.02 1.98 -1.07 0.00 0.00 179.97 181.89 1c7b h MET 32 N 1.06 0.11 -0.16 0.04 4.05 -0.46 -0.61 114.93 118.97 1c7b h MET 32 Ca 0.22 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.58 1c7b h MET 32 Cb 0.39 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.16 1c7b h MET 32 CO 0.00 0.28 -0.05 0.74 0.23 0.00 0.00 176.91 178.11 1c7b h PHE 33 N -0.08 0.24 0.24 1.39 0.04 -0.83 -0.09 116.94 117.86 1c7b h PHE 33 Ca 0.02 -0.02 -0.33 0.00 2.80 0.00 0.00 57.97 60.44 1c7b h PHE 33 Cb 0.21 -0.07 0.04 0.00 2.20 0.00 0.00 35.95 38.33 1c7b h PHE 33 CO -0.00 0.30 -1.48 -0.07 -0.60 0.00 0.00 178.31 176.45 1c7b h LEU 34 N 0.23 0.81 0.04 1.54 3.38 -1.30 -3.30 115.31 116.71 1c7b h LEU 34 Ca 0.05 -0.88 -0.26 0.00 0.09 0.00 0.00 57.88 56.88 1c7b h LEU 34 Cb 0.24 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 1c7b h LEU 34 CO 0.01 1.69 -1.33 0.28 0.09 0.00 0.00 178.44 179.18 1c7b h SER 35 N 0.14 0.14 -2.32 -0.43 0.02 -0.85 -3.40 113.55 106.85 1c7b h SER 35 Ca -0.25 -0.18 -0.59 0.00 -0.84 0.00 0.00 61.79 59.93 1c7b h SER 35 Cb 2.16 -0.04 -0.40 0.00 0.14 0.00 0.00 62.40 64.25 1c7b h SER 35 CO 0.27 1.15 -0.83 0.49 -1.14 0.00 0.00 176.83 176.77 1c7b n PHE 36 N -3.32 1.40 0.27 3.45 3.72 -0.07 -4.99 117.46 117.92 1c7b n PHE 36 Ca -0.09 -3.83 0.17 0.00 -0.05 0.00 0.00 57.45 53.65 1c7b n PHE 36 Cb 1.00 -0.34 0.92 0.00 -0.94 0.00 0.00 39.48 40.12 1c7b n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1c7b h PRO 37 N 4.61 0.00 0.00 -1.08 0.11 -1.73 -1.02 132.00 132.88 1c7b h PRO 37 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1c7b h PRO 37 Cb 0.80 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.91 1c7b h PRO 37 CO 0.60 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 180.18 1c7b h THR 38 N 0.00 0.00 0.00 -1.15 1.35 -1.91 -1.54 112.91 109.65 1c7b h THR 38 Ca 0.04 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.69 1c7b h THR 38 Cb 0.26 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.79 1c7b h THR 38 CO -0.00 0.00 0.00 0.71 -0.25 0.00 0.00 175.52 175.98 1c7b h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.51 -2.61 112.91 116.96 1c7b h THR 39 Ca 0.00 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 1c7b h THR 39 Cb 0.23 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 1c7b h THR 39 CO 0.00 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.56 1c7b n LYS 40 N -2.40 0.17 0.18 4.72 5.02 -0.58 -2.67 118.16 122.59 1c7b n LYS 40 Ca 0.03 0.42 0.14 0.00 -2.02 0.00 0.00 58.31 56.88 1c7b n LYS 40 Cb 0.30 -1.84 0.58 0.00 -0.02 0.00 0.00 35.03 34.05 1c7b n LYS 40 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1c7b h THR 41 N 0.00 0.00 -0.00 -0.18 1.35 -1.64 -1.97 112.91 110.47 1c7b h THR 41 Ca 0.00 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 1c7b h THR 41 Cb 0.32 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 1c7b h THR 41 CO 0.00 0.00 -0.38 -1.22 -0.25 0.00 0.00 175.52 173.67 1c7b n TYR 42 N -2.47 0.00 -2.42 4.73 4.01 -1.09 -4.38 117.16 115.54 1c7b n TYR 42 Ca 0.01 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.57 1c7b n TYR 42 Cb 0.22 -0.25 0.02 0.00 -0.31 0.00 0.00 39.34 39.03 1c7b n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1c7b n PHE 43 N -1.31 2.44 0.72 -0.72 3.01 -0.74 -4.84 117.46 116.02 1c7b n PHE 43 Ca 0.07 -2.59 0.11 0.00 1.01 0.00 0.00 57.45 56.05 1c7b n PHE 43 Cb 0.33 -0.24 0.46 0.00 -0.01 0.00 0.00 39.48 40.02 1c7b n PHE 43 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1c7b n PRO 44 N -0.51 0.03 -0.16 -1.08 -0.04 -1.25 -2.15 135.00 129.84 1c7b n PRO 44 Ca 0.30 0.15 0.09 0.00 -0.04 0.00 0.00 63.50 64.00 1c7b n PRO 44 Cb 0.82 -1.54 0.27 0.00 -0.04 0.00 0.00 33.50 33.00 1c7b n PRO 44 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1c7b n HIS 45 N -1.60 0.42 -4.27 0.54 1.44 -1.26 -4.90 115.22 105.60 1c7b n HIS 45 Ca 0.05 -0.21 -0.31 0.00 -2.01 0.00 0.00 57.72 55.23 1c7b n HIS 45 Cb 0.26 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.29 1c7b n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1c7b s PHE 46 N -1.58 2.99 -0.31 -1.40 0.40 -0.92 -5.07 117.98 112.09 1c7b s PHE 46 Ca 0.32 0.00 -0.29 0.00 -0.60 0.00 0.00 56.93 56.36 1c7b s PHE 46 Cb 0.17 -1.60 0.00 0.00 0.51 0.00 0.00 43.02 42.10 1c7b s PHE 46 CO 0.24 0.45 1.34 0.34 0.70 0.00 0.00 175.22 178.29 1c7b s ASP 47 N -1.81 6.60 -0.03 1.36 2.15 -1.26 -4.89 116.67 118.79 1c7b s ASP 47 Ca 0.21 1.18 0.22 0.00 0.43 0.00 0.00 52.55 54.59 1c7b s ASP 47 Cb -0.11 -2.54 0.68 0.00 -0.30 0.00 0.00 42.92 40.64 1c7b s ASP 47 CO 0.13 -1.15 1.57 0.18 -0.17 0.00 0.00 175.17 175.73 1c7b n LEU 48 N 7.86 4.18 -4.67 -1.34 4.77 -1.26 -4.56 117.00 121.98 1c7b n LEU 48 Ca 0.15 -2.10 -0.37 0.00 -0.03 0.00 0.00 56.01 53.67 1c7b n LEU 48 Cb 0.47 -0.52 0.07 0.00 -2.33 0.00 0.00 43.42 41.11 1c7b n LEU 48 CO 0.64 0.96 0.70 -1.54 -1.33 0.00 0.00 177.39 176.83 1c7b n SER 49 N 1.57 1.25 -4.68 -1.43 3.41 -1.26 -4.86 113.62 107.62 1c7b n SER 49 Ca 0.25 0.77 -0.46 0.00 -0.26 0.00 0.00 58.87 59.17 1c7b n SER 49 Cb 0.69 -1.47 -0.04 0.00 -0.26 0.00 0.00 64.21 63.13 1c7b n SER 49 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1c7b n HIS 50 N -2.10 2.34 -0.79 7.33 -0.00 -1.26 -2.17 115.22 118.58 1c7b n HIS 50 Ca 0.15 0.20 0.00 0.00 0.46 0.00 0.00 57.72 58.53 1c7b n HIS 50 Cb 0.48 -2.57 0.00 0.00 -0.12 0.00 0.00 29.99 27.78 1c7b n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1c7b n GLY 51 N 3.59 0.84 3.61 1.57 0.00 -1.26 -5.01 105.19 108.53 1c7b n GLY 51 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1c7b n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1c7b n SER 52 N 0.00 1.21 0.17 1.61 3.41 -0.92 -4.79 113.62 114.31 1c7b n SER 52 Ca 0.00 1.02 0.03 0.00 -0.26 0.00 0.00 58.87 59.66 1c7b n SER 52 Cb 0.00 -1.35 0.42 0.00 -0.26 0.00 0.00 64.21 63.01 1c7b n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1c7b h ALA 53 N 1.48 1.54 -0.53 7.33 0.00 -1.91 -1.63 119.26 125.52 1c7b h ALA 53 Ca -0.45 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.15 1c7b h ALA 53 Cb 1.34 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.05 1c7b h ALA 53 CO 0.56 0.34 0.01 1.96 0.00 0.00 0.00 179.25 182.13 1c7b h GLN 54 N 0.09 0.94 -0.29 0.00 4.20 -1.90 0.16 115.11 118.31 1c7b h GLN 54 Ca 0.02 -0.29 -0.12 0.00 0.06 0.00 0.00 58.65 58.32 1c7b h GLN 54 Cb 0.43 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 1c7b h GLN 54 CO 0.03 0.95 -0.27 0.28 -0.67 0.00 0.00 178.83 179.15 1c7b h VAL 55 N 0.81 1.30 -0.82 -0.54 2.07 -1.73 0.14 116.25 117.49 1c7b h VAL 55 Ca 0.15 -1.43 -0.03 0.00 0.82 0.00 0.00 66.70 66.21 1c7b h VAL 55 Cb 0.52 1.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 1c7b h VAL 55 CO 0.03 0.46 0.39 0.11 0.02 0.00 0.00 177.57 178.58 1c7b h LYS 56 N 0.44 1.18 -0.37 1.57 1.57 -1.21 0.95 116.57 120.70 1c7b h LYS 56 Ca 0.05 -0.17 -0.12 0.00 -1.87 0.00 0.00 60.65 58.53 1c7b h LYS 56 Cb 0.83 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1c7b h LYS 56 CO 0.07 0.91 -0.27 0.78 -0.57 0.00 0.00 179.45 180.37 1c7b h GLY 57 N 1.16 0.84 1.20 3.86 0.00 -0.53 -2.32 103.07 107.28 1c7b h GLY 57 Ca 0.28 -0.75 -0.17 0.00 0.00 0.00 0.00 47.33 46.69 1c7b h GLY 57 CO -0.04 0.68 -0.46 0.84 0.00 0.00 0.00 176.54 177.57 1c7b h HIS 58 N 0.67 1.05 -0.87 5.60 -0.00 -0.45 -2.52 115.15 118.62 1c7b h HIS 58 Ca 0.08 -0.34 0.11 0.00 -0.00 0.00 0.00 60.37 60.22 1c7b h HIS 58 Cb 0.79 -0.21 -0.06 0.00 -0.00 0.00 0.00 27.41 27.93 1c7b h HIS 58 CO 0.04 1.15 0.56 0.78 -0.00 0.00 0.00 177.93 180.47 1c7b h GLY 59 N 0.80 1.23 1.57 5.26 0.00 -0.67 -0.46 103.07 110.80 1c7b h GLY 59 Ca 0.04 -0.34 -0.15 0.00 0.00 0.00 0.00 47.33 46.87 1c7b h GLY 59 CO 0.10 0.18 -0.56 1.70 0.00 0.00 0.00 176.54 177.96 1c7b h LYS 60 N 0.82 0.45 -0.43 4.80 1.63 -1.17 -0.54 116.57 122.13 1c7b h LYS 60 Ca 0.41 -0.29 -0.15 0.00 -0.85 0.00 0.00 60.65 59.78 1c7b h LYS 60 Cb 0.47 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.13 1c7b h LYS 60 CO -0.18 0.89 -0.31 0.87 -3.45 0.00 0.00 179.45 177.27 1c7b h LYS 61 N 0.34 0.96 -0.54 1.90 1.57 -0.85 -0.86 116.57 119.09 1c7b h LYS 61 Ca 0.00 -0.46 -0.04 0.00 -1.87 0.00 0.00 60.65 58.28 1c7b h LYS 61 Cb 1.08 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.36 1c7b h LYS 61 CO 0.10 1.13 0.18 0.28 -0.57 0.00 0.00 179.45 180.56 1c7b h VAL 62 N 0.80 1.23 -0.70 0.50 2.07 -1.00 -2.39 116.25 116.76 1c7b h VAL 62 Ca 0.08 -0.78 -0.05 0.00 0.82 0.00 0.00 66.70 66.77 1c7b h VAL 62 Cb 0.90 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 1c7b h VAL 62 CO 0.08 0.29 0.23 0.00 0.02 0.00 0.00 177.57 178.19 1c7b h ALA 63 N 1.04 0.92 -0.80 1.67 0.00 -0.96 -2.24 119.26 118.89 1c7b h ALA 63 Ca 0.17 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1c7b h ALA 63 Cb 0.27 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1c7b h ALA 63 CO -0.01 0.60 0.46 -0.44 0.00 0.00 0.00 179.25 179.86 1c7b h ASP 64 N 1.03 0.97 -0.50 0.00 3.32 -1.01 -0.84 116.42 119.39 1c7b h ASP 64 Ca 0.23 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 1c7b h ASP 64 Cb 0.29 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1c7b h ASP 64 CO -0.01 0.77 0.07 0.00 -1.72 0.00 0.00 179.24 178.35 1c7b h ALA 65 N 1.24 1.08 -0.32 3.45 0.00 -1.16 -1.04 119.26 122.51 1c7b h ALA 65 Ca 0.28 -0.25 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1c7b h ALA 65 Cb -0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1c7b h ALA 65 CO -0.05 0.59 -0.33 -0.07 0.00 0.00 0.00 179.25 179.39 1c7b h LEU 66 N 0.84 0.74 -0.84 0.00 3.38 -0.80 -0.69 115.31 117.95 1c7b h LEU 66 Ca 0.17 -0.31 0.06 0.00 0.09 0.00 0.00 57.88 57.89 1c7b h LEU 66 Cb 0.41 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.89 1c7b h LEU 66 CO 0.01 1.02 0.52 0.74 0.09 0.00 0.00 178.44 180.82 1c7b h THR 67 N 0.60 1.05 -0.78 0.22 2.02 -0.92 0.17 112.91 115.27 1c7b h THR 67 Ca 0.06 -0.33 -0.03 0.00 0.77 0.00 0.00 66.41 66.89 1c7b h THR 67 Cb 0.86 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 1c7b h THR 67 CO 0.07 0.18 0.38 -1.13 0.37 0.00 0.00 175.52 175.39 1c7b h ASN 68 N 0.96 1.01 -0.37 4.18 -1.24 -0.74 -0.76 115.58 118.62 1c7b h ASN 68 Ca 0.36 -0.13 -0.12 0.00 0.71 0.00 0.00 56.30 57.12 1c7b h ASN 68 Cb 0.15 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 38.92 1c7b h ASN 68 CO -0.16 0.86 -0.22 0.00 -1.29 0.00 0.00 177.43 176.61 1c7b h ALA 69 N 1.20 0.80 -0.51 1.57 0.00 -0.27 -1.45 119.26 120.60 1c7b h ALA 69 Ca 0.27 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1c7b h ALA 69 Cb 0.10 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1c7b h ALA 69 CO -0.04 0.65 0.09 0.28 0.00 0.00 0.00 179.25 180.24 1c7b h VAL 70 N 0.76 1.25 0.00 0.00 2.07 -0.38 -1.31 116.25 118.64 1c7b h VAL 70 Ca 0.10 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.67 1c7b h VAL 70 Cb 0.76 0.86 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1c7b h VAL 70 CO 0.06 0.33 -0.13 0.00 0.02 0.00 0.00 177.57 177.86 1c7b h ALA 71 N 0.98 1.14 -0.78 1.67 0.00 -0.98 -3.12 119.26 118.17 1c7b h ALA 71 Ca 0.16 -0.11 -0.51 0.00 0.00 0.00 0.00 54.91 54.44 1c7b h ALA 71 Cb 0.39 -0.02 -0.43 0.00 0.00 0.00 0.00 17.79 17.73 1c7b h ALA 71 CO 0.01 0.16 -0.85 0.72 0.00 0.00 0.00 179.25 179.28 1c7b n HIS 72 N -3.44 2.61 0.33 0.00 8.25 -0.56 -4.87 115.22 117.54 1c7b n HIS 72 Ca -0.01 -2.29 0.22 0.00 -0.26 0.00 0.00 57.72 55.38 1c7b n HIS 72 Cb 0.29 -0.31 1.16 0.00 1.12 0.00 0.00 29.99 32.25 1c7b n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1c7b h VAL 73 N 2.62 0.00 -0.00 1.59 3.04 -1.19 0.32 116.25 122.63 1c7b h VAL 73 Ca 0.30 -0.07 0.00 0.00 -1.01 0.00 0.00 66.70 65.92 1c7b h VAL 73 Cb 1.45 1.07 0.00 0.00 -2.01 0.00 0.00 31.29 31.80 1c7b h VAL 73 CO 0.70 0.00 -0.30 0.47 -1.01 0.00 0.00 177.57 177.43 1c7b n ASP 74 N -3.08 0.75 -2.72 3.17 8.00 -1.26 -4.10 116.55 117.31 1c7b n ASP 74 Ca -0.03 -0.61 -0.06 0.00 0.71 0.00 0.00 54.79 54.81 1c7b n ASP 74 Cb 0.10 0.12 0.04 0.00 -0.02 0.00 0.00 41.12 41.36 1c7b n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1c7b n ASP 75 N -0.98 1.32 -0.27 -2.24 2.03 0.06 -4.99 116.55 111.48 1c7b n ASP 75 Ca 0.10 -2.48 -0.06 0.00 0.52 0.00 0.00 54.79 52.87 1c7b n ASP 75 Cb 0.33 -0.44 0.06 0.00 -0.72 0.00 0.00 41.12 40.35 1c7b n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1c7b h MET 76 N 2.82 1.14 -0.98 -0.67 2.86 -1.59 -2.47 114.93 116.02 1c7b h MET 76 Ca -0.12 -0.21 0.07 0.00 -2.06 0.00 0.00 59.70 57.37 1c7b h MET 76 Cb 1.21 -0.18 -0.07 0.00 0.06 0.00 0.00 31.60 32.63 1c7b h MET 76 CO 0.37 0.94 0.64 -1.35 1.06 0.00 0.00 176.91 178.56 1c7b h PRO 77 N 1.10 1.11 -0.32 -0.22 0.11 -1.94 -0.87 132.00 130.97 1c7b h PRO 77 Ca 0.25 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 66.21 1c7b h PRO 77 Cb 0.23 -0.25 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 1c7b h PRO 77 CO -0.02 0.73 -0.15 -0.91 -0.21 0.00 0.00 178.00 177.45 1c7b h ASN 78 N 1.14 0.68 -0.37 -2.05 2.35 -1.93 -2.52 115.58 112.88 1c7b h ASN 78 Ca 0.43 -0.40 -0.06 0.00 -0.55 0.00 0.00 56.30 55.71 1c7b h ASN 78 Cb 0.19 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.35 1c7b h ASN 78 CO -0.17 0.93 0.02 0.00 -1.65 0.00 0.00 177.43 176.56 1c7b h ALA 79 N 0.77 1.18 -0.49 -0.83 0.00 -0.97 -2.88 119.26 116.04 1c7b h ALA 79 Ca 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1c7b h ALA 79 Cb 0.67 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1c7b h ALA 79 CO 0.05 0.54 0.00 1.28 0.00 0.00 0.00 179.25 181.11 1c7b n LEU 80 N -4.24 4.61 -0.17 0.00 4.77 -0.37 -4.68 117.00 116.92 1c7b n LEU 80 Ca 0.02 -2.71 -0.02 0.00 -0.03 0.00 0.00 56.01 53.28 1c7b n LEU 80 Cb 0.28 -0.56 0.05 0.00 -2.33 0.00 0.00 43.42 40.85 1c7b n LEU 80 CO 0.41 0.71 0.78 -1.28 -1.33 0.00 0.00 177.39 176.68 1c7b h SER 81 N 3.19 -0.43 -0.12 -1.43 0.87 -1.22 0.17 113.55 114.57 1c7b h SER 81 Ca 0.00 0.15 -0.10 0.00 -1.23 0.00 0.00 61.79 60.61 1c7b h SER 81 Cb 1.53 0.30 -0.01 0.00 -0.44 0.00 0.00 62.40 63.78 1c7b h SER 81 CO 0.28 -0.16 -0.22 0.00 -0.53 0.00 0.00 176.83 176.20 1c7b h ALA 82 N 1.51 1.07 -0.09 6.23 0.00 -1.84 -2.09 119.26 124.05 1c7b h ALA 82 Ca 0.26 -0.34 -0.17 0.00 0.00 0.00 0.00 54.91 54.65 1c7b h ALA 82 Cb 0.39 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1c7b h ALA 82 CO -0.52 0.57 -0.69 -0.07 0.00 0.00 0.00 179.25 178.54 1c7b h LEU 83 N 0.49 0.45 -0.50 0.00 3.38 -1.66 -1.94 115.31 115.54 1c7b h LEU 83 Ca 0.07 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.78 1c7b h LEU 83 Cb 0.65 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 1c7b h LEU 83 CO 0.05 1.00 0.30 0.28 0.09 0.00 0.00 178.44 180.17 1c7b h SER 84 N 0.27 0.50 -0.32 -0.43 0.02 -0.45 -1.58 113.55 111.57 1c7b h SER 84 Ca -0.02 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1c7b h SER 84 Cb 1.25 -0.11 -0.02 0.00 0.14 0.00 0.00 62.40 63.66 1c7b h SER 84 CO 0.12 0.36 0.18 0.44 -1.14 0.00 0.00 176.83 176.79 1c7b h ASP 85 N 0.61 0.39 -0.73 3.07 3.32 -1.24 -1.84 116.42 119.99 1c7b h ASP 85 Ca 0.19 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.13 1c7b h ASP 85 Cb -0.01 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.41 1c7b h ASP 85 CO -0.08 0.34 0.25 0.25 -1.72 0.00 0.00 179.24 178.28 1c7b h LEU 86 N 0.40 1.05 -0.19 1.55 5.85 -1.18 0.19 115.31 122.99 1c7b h LEU 86 Ca 0.11 -0.20 -0.22 0.00 0.84 0.00 0.00 57.88 58.41 1c7b h LEU 86 Cb 0.03 -0.27 0.01 0.00 0.37 0.00 0.00 40.66 40.79 1c7b h LEU 86 CO -0.02 0.97 -0.85 0.45 -0.34 0.00 0.00 178.44 178.65 1c7b h HIS 87 N 1.08 0.87 -0.44 1.25 3.86 -1.22 -1.14 115.15 119.40 1c7b h HIS 87 Ca 0.24 -0.42 -0.08 0.00 -1.16 0.00 0.00 60.37 58.95 1c7b h HIS 87 Cb 0.28 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.61 1c7b h HIS 87 CO 0.02 1.23 -0.03 0.00 0.86 0.00 0.00 177.93 180.01 1c7b h ALA 88 N 0.64 0.60 0.00 2.45 0.00 -1.04 0.33 119.26 122.24 1c7b h ALA 88 Ca -0.07 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.37 1c7b h ALA 88 Cb 1.47 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 1c7b h ALA 88 CO 0.16 0.42 -2.15 0.72 0.00 0.00 0.00 179.25 178.41 1c7b n HIS 89 N -4.35 0.05 0.04 0.00 8.25 0.64 -4.58 115.22 115.27 1c7b n HIS 89 Ca -0.00 0.02 -0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1c7b n HIS 89 Cb 0.32 -0.76 -0.00 0.00 1.12 0.00 0.00 29.99 30.67 1c7b n HIS 89 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1c7b n LYS 90 N -2.52 0.00 -0.09 -0.41 5.02 -0.92 -4.86 118.16 114.38 1c7b n LYS 90 Ca -0.18 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 55.99 1c7b n LYS 90 Cb 0.86 -0.40 -0.04 0.00 -0.02 0.00 0.00 35.03 35.42 1c7b n LYS 90 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1c7b h LEU 91 N -0.00 0.58 -1.34 -0.35 3.38 -1.31 -3.47 115.31 112.79 1c7b h LEU 91 Ca 0.00 -0.41 -0.42 0.00 0.09 0.00 0.00 57.88 57.14 1c7b h LEU 91 Cb 0.00 -0.16 0.07 0.00 0.09 0.00 0.00 40.66 40.66 1c7b h LEU 91 CO 0.00 0.86 -0.77 0.54 0.09 0.00 0.00 178.44 179.16 1c7b n ARG 92 N -4.45 -6.01 -2.20 1.13 1.74 0.11 -4.94 116.66 102.04 1c7b n ARG 92 Ca -0.04 0.70 -0.42 0.00 -0.77 0.00 0.00 57.85 57.32 1c7b n ARG 92 Cb 0.36 -5.53 -0.03 0.00 -1.02 0.00 0.00 32.46 26.24 1c7b n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1c7b s VAL 93 N -3.44 3.37 0.27 1.55 1.01 -1.26 -4.96 120.40 116.93 1c7b s VAL 93 Ca 0.31 1.00 -0.31 0.00 0.00 0.00 0.00 61.98 62.98 1c7b s VAL 93 Cb -0.15 -3.64 -0.12 0.00 0.00 0.00 0.00 36.38 32.47 1c7b s VAL 93 CO 0.79 0.09 1.57 -0.67 0.00 0.00 0.00 175.10 176.87 1c7b n ASP 94 N 3.73 3.58 0.08 3.32 -0.08 -1.26 -4.84 116.55 121.09 1c7b n ASP 94 Ca 0.10 1.13 0.21 0.00 -1.51 0.00 0.00 54.79 54.72 1c7b n ASP 94 Cb 0.43 -1.55 0.73 0.00 2.34 0.00 0.00 41.12 43.07 1c7b n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1c7b h PRO 95 N 4.93 0.00 0.00 -0.67 0.11 -2.00 -1.61 132.00 132.76 1c7b h PRO 95 Ca -0.46 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 1c7b h PRO 95 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1c7b h PRO 95 CO 0.81 0.00 -0.11 -0.39 -0.21 0.00 0.00 178.00 178.10 1c7b h VAL 96 N 0.00 0.47 0.00 3.15 -1.51 -2.03 -2.82 116.25 113.51 1c7b h VAL 96 Ca 0.21 -0.56 -0.05 0.00 -1.23 0.00 0.00 66.70 65.07 1c7b h VAL 96 Cb 1.18 1.38 -0.01 0.00 -2.13 0.00 0.00 31.29 31.71 1c7b h VAL 96 CO -0.00 0.11 -0.21 0.78 -1.23 0.00 0.00 177.57 177.01 1c7b h ASN 97 N 0.00 0.00 0.11 4.19 2.35 -1.65 -2.87 115.58 117.71 1c7b h ASN 97 Ca -0.00 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 1c7b h ASN 97 Cb 0.37 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 1c7b h ASN 97 CO 0.01 0.21 -0.20 -0.26 -1.65 0.00 0.00 177.43 175.55 1c7b h PHE 98 N 0.00 0.20 -0.15 1.19 -1.00 -1.67 -1.73 116.94 113.78 1c7b h PHE 98 Ca -0.00 -0.03 -0.08 0.00 2.81 0.00 0.00 57.97 60.67 1c7b h PHE 98 Cb 0.86 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 40.35 1c7b h PHE 98 CO 0.00 0.39 -0.26 0.87 -1.61 0.00 0.00 178.31 177.69 1c7b h LYS 99 N 0.17 0.27 0.01 1.51 1.57 -1.66 -1.22 116.57 117.21 1c7b h LYS 99 Ca 0.03 -0.09 -0.20 0.00 -1.87 0.00 0.00 60.65 58.52 1c7b h LYS 99 Cb 0.46 -0.02 0.02 0.00 0.08 0.00 0.00 32.23 32.77 1c7b h LYS 99 CO 0.03 0.51 -0.79 -0.07 -0.57 0.00 0.00 179.45 178.57 1c7b h LEU 100 N 0.24 0.68 -0.85 2.94 3.38 -1.40 -1.90 115.31 118.40 1c7b h LEU 100 Ca 0.04 -0.76 -0.04 0.00 0.09 0.00 0.00 57.88 57.21 1c7b h LEU 100 Cb 0.59 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.10 1c7b h LEU 100 CO 0.04 1.35 0.31 0.25 0.09 0.00 0.00 178.44 180.48 1c7b h LEU 101 N 0.09 1.06 -0.57 1.67 5.85 -1.37 -2.20 115.31 119.84 1c7b h LEU 101 Ca -0.10 -0.16 0.03 0.00 0.84 0.00 0.00 57.88 58.49 1c7b h LEU 101 Cb 1.48 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 42.20 1c7b h LEU 101 CO 0.15 0.94 0.34 0.28 -0.34 0.00 0.00 178.44 179.81 1c7b h SER 102 N 1.13 0.54 -0.52 1.25 0.02 -1.15 0.91 113.55 115.73 1c7b h SER 102 Ca 0.26 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.22 1c7b h SER 102 Cb 0.21 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 1c7b h SER 102 CO -0.02 0.38 0.34 -0.74 -1.14 0.00 0.00 176.83 175.64 1c7b h HIS 103 N 0.66 0.64 -0.06 3.45 -0.00 -1.23 -0.88 115.15 117.74 1c7b h HIS 103 Ca 0.23 0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.52 1c7b h HIS 103 Cb 0.04 -0.22 -0.01 0.00 -0.00 0.00 0.00 27.41 27.22 1c7b h HIS 103 CO -0.06 0.40 -0.40 0.00 -0.00 0.00 0.00 177.93 177.87 1c7b h LEU 105 N 0.10 1.02 -0.56 0.00 3.38 -0.58 -1.51 115.31 117.16 1c7b h LEU 105 Ca 0.01 -0.40 -0.03 0.00 0.09 0.00 0.00 57.88 57.54 1c7b h LEU 105 Cb 0.75 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1c7b h LEU 105 CO 0.06 1.21 0.23 -0.07 0.09 0.00 0.00 178.44 179.95 1c7b h LEU 106 N 0.84 0.76 -0.98 1.67 3.38 -0.76 -0.88 115.31 119.34 1c7b h LEU 106 Ca 0.10 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.92 1c7b h LEU 106 Cb 0.84 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.34 1c7b h LEU 106 CO 0.07 0.72 0.65 0.58 0.09 0.00 0.00 178.44 180.55 1c7b h VAL 107 N 0.76 1.25 -0.37 1.22 2.07 -0.99 -0.48 116.25 119.71 1c7b h VAL 107 Ca 0.19 -0.46 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 1c7b h VAL 107 Cb 0.18 -0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 29.75 1c7b h VAL 107 CO -0.02 0.24 0.11 0.74 0.02 0.00 0.00 177.57 178.66 1c7b h THR 108 N 1.33 1.22 -0.69 2.57 2.02 -0.90 -1.65 112.91 116.81 1c7b h THR 108 Ca 0.36 -0.71 -0.06 0.00 0.77 0.00 0.00 66.41 66.77 1c7b h THR 108 Cb -0.15 0.98 -0.03 0.00 -1.74 0.00 0.00 68.15 67.21 1c7b h THR 108 CO -0.08 0.25 0.20 -0.07 0.37 0.00 0.00 175.52 176.19 1c7b h LEU 109 N 0.45 1.01 -0.73 2.58 3.38 -0.88 -2.46 115.31 118.67 1c7b h LEU 109 Ca 0.12 -0.22 0.07 0.00 0.09 0.00 0.00 57.88 57.94 1c7b h LEU 109 Cb 0.27 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 1c7b h LEU 109 CO -0.00 0.96 0.41 0.00 0.09 0.00 0.00 178.44 179.90 1c7b h ALA 110 N 1.09 1.00 0.00 1.53 0.00 -0.83 0.20 119.26 122.25 1c7b h ALA 110 Ca 0.22 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1c7b h ALA 110 Cb 0.32 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1c7b h ALA 110 CO -0.00 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.31 1c7b h ALA 111 N 1.39 1.00 0.00 0.00 0.00 -0.96 -3.22 119.26 117.48 1c7b h ALA 111 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1c7b h ALA 111 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1c7b h ALA 111 CO -0.21 0.00 -0.83 0.72 0.00 0.00 0.00 179.25 178.93 1c7b n HIS 112 N -2.70 0.00 -3.28 0.00 -0.00 -0.72 -4.81 115.22 103.72 1c7b n HIS 112 Ca 0.01 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.45 1c7b n HIS 112 Cb 0.26 -0.06 -0.06 0.00 -0.00 0.00 0.00 29.99 30.13 1c7b n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1c7b n LEU 113 N -1.45 4.17 -0.29 2.41 4.77 0.63 -4.92 117.00 122.33 1c7b n LEU 113 Ca -0.00 -5.49 -0.02 0.00 -0.03 0.00 0.00 56.01 50.47 1c7b n LEU 113 Cb 0.09 -0.69 0.10 0.00 -2.33 0.00 0.00 43.42 40.58 1c7b n LEU 113 CO 0.09 2.10 1.19 1.55 -1.33 0.00 0.00 177.39 180.98 1c7b h PRO 114 N 4.00 0.96 -0.10 3.23 0.13 -1.84 -2.09 132.00 136.29 1c7b h PRO 114 Ca 0.19 -0.06 -0.16 0.00 -0.87 0.00 0.00 66.00 65.10 1c7b h PRO 114 Cb 0.62 -0.22 -0.01 0.00 0.13 0.00 0.00 31.00 31.52 1c7b h PRO 114 CO 0.87 0.63 -0.62 0.00 -0.23 0.00 0.00 178.00 178.65 1c7b h ALA 115 N 1.33 0.75 0.00 -0.56 0.00 -1.95 -3.33 119.26 115.50 1c7b h ALA 115 Ca 0.32 -0.55 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1c7b h ALA 115 Cb 0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1c7b h ALA 115 CO -0.11 0.73 -1.52 0.39 0.00 0.00 0.00 179.25 178.74 1c7b n GLU 116 N -3.88 0.63 -1.75 0.00 4.71 -1.11 -4.65 120.64 114.60 1c7b n GLU 116 Ca -0.03 0.02 -0.41 0.00 -0.01 0.00 0.00 57.16 56.74 1c7b n GLU 116 Cb 0.64 -1.70 -0.01 0.00 -1.01 0.00 0.00 31.44 29.36 1c7b n GLU 116 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1c7b n PHE 117 N -2.58 2.84 -1.88 -0.32 7.35 -0.80 -4.76 117.46 117.31 1c7b n PHE 117 Ca -0.06 -2.95 -0.29 0.00 -0.76 0.00 0.00 57.45 53.39 1c7b n PHE 117 Cb 0.66 -2.28 0.09 0.00 0.35 0.00 0.00 39.48 38.30 1c7b n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1c7b s THR 118 N 1.43 2.04 0.23 -2.13 -4.23 -1.26 -4.77 115.64 106.95 1c7b s THR 118 Ca 0.55 0.01 -0.06 0.00 -1.18 0.00 0.00 61.69 61.01 1c7b s THR 118 Cb 0.16 -3.00 0.18 0.00 1.34 0.00 0.00 72.50 71.18 1c7b s THR 118 CO -0.06 -0.02 1.79 -0.65 -0.54 0.00 0.00 174.62 175.14 1c7b h PRO 119 N -1.07 0.63 -0.52 3.99 0.11 -1.99 -0.12 132.00 133.02 1c7b h PRO 119 Ca -0.46 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 65.49 1c7b h PRO 119 Cb 1.33 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1c7b h PRO 119 CO 0.66 0.42 -0.14 0.00 -0.21 0.00 0.00 178.00 178.73 1c7b h ALA 120 N 1.43 0.76 -0.40 -0.75 0.00 -1.96 -1.31 119.26 117.02 1c7b h ALA 120 Ca 0.36 -0.36 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 1c7b h ALA 120 Cb 0.35 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1c7b h ALA 120 CO -0.26 0.67 -0.30 0.28 0.00 0.00 0.00 179.25 179.65 1c7b h VAL 121 N 0.89 1.27 -0.28 0.00 2.07 -1.77 -1.63 116.25 116.80 1c7b h VAL 121 Ca 0.13 -1.46 0.06 0.00 0.82 0.00 0.00 66.70 66.25 1c7b h VAL 121 Cb 0.71 1.29 -0.06 0.00 -1.52 0.00 0.00 31.29 31.71 1c7b h VAL 121 CO 0.05 0.49 -0.10 -0.74 0.02 0.00 0.00 177.57 177.29 1c7b h HIS 122 N 0.73 -0.24 -0.55 1.57 6.17 -0.80 -0.03 115.15 122.00 1c7b h HIS 122 Ca 0.08 0.03 0.03 0.00 0.71 0.00 0.00 60.37 61.22 1c7b h HIS 122 Cb 0.86 0.15 -0.04 0.00 2.52 0.00 0.00 27.41 30.90 1c7b h HIS 122 CO 0.05 -0.17 0.32 0.00 0.71 0.00 0.00 177.93 178.85 1c7b h ALA 123 N 1.21 0.71 -0.60 5.26 0.00 -0.96 -1.13 119.26 123.75 1c7b h ALA 123 Ca 0.14 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1c7b h ALA 123 Cb 0.27 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1c7b h ALA 123 CO -0.32 0.03 0.08 0.77 0.00 0.00 0.00 179.25 179.81 1c7b h SER 124 N 0.64 0.97 -0.57 0.00 0.02 -0.72 -1.84 113.55 112.04 1c7b h SER 124 Ca 0.22 -0.27 -0.10 0.00 -0.84 0.00 0.00 61.79 60.80 1c7b h SER 124 Cb 0.04 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 1c7b h SER 124 CO -0.11 0.99 -0.05 -0.07 -1.14 0.00 0.00 176.83 176.45 1c7b h LEU 125 N 0.91 1.03 -0.42 5.07 3.38 -0.79 0.66 115.31 125.15 1c7b h LEU 125 Ca 0.18 -0.33 0.03 0.00 0.09 0.00 0.00 57.88 57.85 1c7b h LEU 125 Cb 0.45 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 1c7b h LEU 125 CO 0.02 1.11 0.22 -0.78 0.09 0.00 0.00 178.44 179.10 1c7b h ASP 126 N 0.92 0.34 -0.61 -0.43 3.58 -1.05 0.29 116.42 119.47 1c7b h ASP 126 Ca 0.15 0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.60 1c7b h ASP 126 Cb 0.62 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.58 1c7b h ASP 126 CO 0.04 0.24 0.31 0.11 -2.88 0.00 0.00 179.24 177.06 1c7b h LYS 127 N 0.45 0.86 -0.64 0.28 1.57 -1.05 -1.74 116.57 116.31 1c7b h LYS 127 Ca 0.17 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1c7b h LYS 127 Cb 0.06 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 1c7b h LYS 127 CO -0.11 0.68 0.34 0.35 -0.57 0.00 0.00 179.45 180.14 1c7b h PHE 128 N 0.83 0.88 -0.05 -1.35 3.57 -0.46 -1.07 116.94 119.29 1c7b h PHE 128 Ca 0.21 -0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.56 1c7b h PHE 128 Cb 0.08 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.53 1c7b h PHE 128 CO -0.00 0.64 -0.52 -0.07 -2.23 0.00 0.00 178.31 176.13 1c7b h LEU 129 N 0.87 0.16 -0.86 0.59 3.38 -0.64 -1.01 115.31 117.79 1c7b h LEU 129 Ca 0.22 -0.08 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 1c7b h LEU 129 Cb 0.06 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1c7b h LEU 129 CO -0.03 0.65 -0.26 0.00 0.09 0.00 0.00 178.44 178.88 1c7b h ALA 130 N 1.36 1.03 -0.33 1.53 0.00 -0.99 -1.30 119.26 120.56 1c7b h ALA 130 Ca 0.00 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.40 1c7b h ALA 130 Cb 0.95 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1c7b h ALA 130 CO 0.07 0.58 -0.40 0.77 0.00 0.00 0.00 179.25 180.28 1c7b h SER 131 N 0.47 0.85 -0.43 0.00 0.02 -0.75 -0.96 113.55 112.76 1c7b h SER 131 Ca 0.07 -0.39 -0.01 0.00 -0.84 0.00 0.00 61.79 60.62 1c7b h SER 131 Cb 0.71 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 1c7b h SER 131 CO 0.05 1.14 0.22 0.58 -1.14 0.00 0.00 176.83 177.68 1c7b h VAL 132 N 0.65 1.17 -0.90 2.27 2.07 -1.00 -1.46 116.25 119.05 1c7b h VAL 132 Ca 0.05 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 1c7b h VAL 132 Cb 0.96 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1c7b h VAL 132 CO 0.09 0.18 0.50 0.28 0.02 0.00 0.00 177.57 178.63 1c7b h SER 133 N 0.55 1.11 -0.74 0.57 0.02 -1.13 -0.96 113.55 112.97 1c7b h SER 133 Ca 0.15 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 1c7b h SER 133 Cb 0.08 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.31 1c7b h SER 133 CO -0.02 0.89 0.38 0.74 -1.14 0.00 0.00 176.83 177.68 1c7b h THR 134 N 1.25 1.23 -0.36 -2.27 2.02 -0.81 -1.68 112.91 112.28 1c7b h THR 134 Ca 0.32 -0.61 -0.09 0.00 0.77 0.00 0.00 66.41 66.79 1c7b h THR 134 Cb 0.02 0.28 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 1c7b h THR 134 CO -0.05 0.27 -0.14 0.58 0.37 0.00 0.00 175.52 176.54 1c7b h VAL 135 N 1.03 1.28 0.00 3.16 2.07 -0.71 -2.42 116.25 120.66 1c7b h VAL 135 Ca 0.26 -1.25 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1c7b h VAL 135 Cb 0.08 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.17 1c7b h VAL 135 CO -0.04 0.41 0.00 -0.07 0.02 0.00 0.00 177.57 177.89 1c7b h LEU 136 N 0.53 0.00 -2.69 2.57 3.38 -1.02 -2.69 115.31 115.38 1c7b h LEU 136 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1c7b h LEU 136 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1c7b h LEU 136 CO 0.05 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.93 1c7b n THR 137 N -3.07 0.89 0.37 0.22 -2.24 -0.65 -4.56 114.28 105.25 1c7b n THR 137 Ca 0.00 -0.94 0.14 0.00 -2.27 0.00 0.00 64.05 60.97 1c7b n THR 137 Cb 0.26 0.59 0.46 0.00 -2.10 0.00 0.00 70.33 69.54 1c7b n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1c7b h SER 138 N 3.14 0.00 -0.37 3.42 4.64 -1.08 -2.99 113.55 120.31 1c7b h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1c7b h SER 138 Cb 0.84 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 1c7b h SER 138 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1c7b n LYS 139 N -2.71 3.18 0.22 4.77 5.02 -1.26 -4.64 118.16 122.75 1c7b n LYS 139 Ca 0.03 -2.64 0.08 0.00 -2.02 0.00 0.00 58.31 53.75 1c7b n LYS 139 Cb 0.37 -1.71 0.51 0.00 -0.02 0.00 0.00 35.03 34.17 1c7b n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1c7b h TYR 140 N 2.40 0.00 0.00 2.13 -1.99 -1.86 -3.47 116.97 114.19 1c7b h TYR 140 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1c7b h TYR 140 Cb 1.27 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.00 1c7b h TYR 140 CO 0.50 0.26 0.00 0.54 -0.00 0.00 0.00 178.16 179.46