#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r1y n HIS 2 N 0.00 -0.47 -2.82 6.34 -0.00 -1.26 -5.05 115.22 111.96 1r1y n HIS 2 Ca 0.00 0.19 -0.33 0.00 0.46 0.00 0.00 57.72 58.04 1r1y n HIS 2 Cb 0.00 -1.88 -0.06 0.00 -0.12 0.00 0.00 29.99 27.93 1r1y n HIS 2 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 1r1y s LEU 3 N -1.77 3.90 0.83 0.27 1.02 -1.26 -5.07 118.68 116.61 1r1y s LEU 3 Ca 0.02 1.54 -0.11 0.00 0.02 0.00 0.00 54.13 55.60 1r1y s LEU 3 Cb -0.01 -4.40 0.12 0.00 0.02 0.00 0.00 46.19 41.92 1r1y s LEU 3 CO 0.11 -0.37 1.18 0.42 0.02 0.00 0.00 176.35 177.71 1r1y s THR 4 N -2.23 2.07 0.32 5.49 -4.23 -1.26 -4.84 115.64 110.96 1r1y s THR 4 Ca 0.59 -0.10 0.05 0.00 -1.18 0.00 0.00 61.69 61.05 1r1y s THR 4 Cb -0.09 -2.97 0.10 0.00 1.34 0.00 0.00 72.50 70.88 1r1y s THR 4 CO 0.18 0.00 1.80 -0.65 -0.54 0.00 0.00 174.62 175.41 1r1y h PRO 5 N -1.10 0.38 -0.54 3.99 0.11 -1.99 -1.02 132.00 131.82 1r1y h PRO 5 Ca -0.44 -0.12 -0.10 0.00 0.11 0.00 0.00 66.00 65.45 1r1y h PRO 5 Cb 1.29 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.35 1r1y h PRO 5 CO 0.54 0.57 -0.04 1.49 -0.21 0.00 0.00 178.00 180.35 1r1y h GLU 6 N 0.35 0.96 -0.28 1.05 4.81 -1.99 -1.05 114.58 118.42 1r1y h GLU 6 Ca 0.06 -0.31 -0.06 0.00 -0.13 0.00 0.00 59.36 58.92 1r1y h GLU 6 Cb 0.56 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1r1y h GLU 6 CO 0.04 0.97 -0.06 0.93 -0.73 0.00 0.00 179.01 180.16 1r1y h GLU 7 N 0.88 0.54 -0.69 1.92 5.08 -1.86 -1.45 114.58 118.99 1r1y h GLU 7 Ca 0.15 -0.20 0.06 0.00 -1.00 0.00 0.00 59.36 58.37 1r1y h GLU 7 Cb 0.57 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 1r1y h GLU 7 CO 0.03 0.73 0.39 -0.22 -1.00 0.00 0.00 179.01 178.95 1r1y h LYS 8 N 0.30 0.70 -0.74 2.33 1.63 -0.98 0.23 116.57 120.05 1r1y h LYS 8 Ca 0.07 -0.04 -0.06 0.00 -0.85 0.00 0.00 60.65 59.77 1r1y h LYS 8 Cb 0.53 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.97 1r1y h LYS 8 CO 0.03 0.46 0.22 0.77 -3.45 0.00 0.00 179.45 177.48 1r1y h SER 9 N 0.72 1.08 -0.51 4.20 0.02 -0.99 -1.76 113.55 116.31 1r1y h SER 9 Ca 0.31 -0.21 -0.10 0.00 -0.84 0.00 0.00 61.79 60.95 1r1y h SER 9 Cb 0.19 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 1r1y h SER 9 CO -0.18 1.01 -0.07 0.00 -1.14 0.00 0.00 176.83 176.44 1r1y h ALA 10 N 1.13 0.85 0.03 3.77 0.00 -0.39 0.05 119.26 124.69 1r1y h ALA 10 Ca 0.24 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1r1y h ALA 10 Cb 0.32 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1r1y h ALA 10 CO -0.01 0.66 -0.01 0.28 0.00 0.00 0.00 179.25 180.17 1r1y h VAL 11 N 0.89 1.17 -0.51 0.00 2.07 -0.29 -2.28 116.25 117.30 1r1y h VAL 11 Ca 0.15 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 1r1y h VAL 11 Cb 0.62 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.95 1r1y h VAL 11 CO 0.04 0.16 0.27 0.74 0.02 0.00 0.00 177.57 178.80 1r1y h THR 12 N -0.30 1.18 -0.69 2.57 2.02 -1.29 -1.66 112.91 114.73 1r1y h THR 12 Ca -0.00 -0.46 -0.04 0.00 0.77 0.00 0.00 66.41 66.67 1r1y h THR 12 Cb 0.28 0.55 -0.03 0.00 -1.74 0.00 0.00 68.15 67.22 1r1y h THR 12 CO 0.01 0.19 0.27 0.00 0.37 0.00 0.00 175.52 176.36 1r1y h ALA 13 N 1.11 0.90 -0.37 6.16 0.00 -0.97 -2.37 119.26 123.73 1r1y h ALA 13 Ca 0.18 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 1r1y h ALA 13 Cb 0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1r1y h ALA 13 CO -0.03 0.53 -0.25 1.25 0.00 0.00 0.00 179.25 180.75 1r1y h LEU 14 N 0.99 0.86 -2.33 0.00 5.85 -1.22 -2.93 115.31 116.52 1r1y h LEU 14 Ca 0.23 -0.43 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 1r1y h LEU 14 Cb 0.22 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.01 1r1y h LEU 14 CO -0.02 1.11 -0.03 -0.25 -0.34 0.00 0.00 178.44 178.91 1r1y h TRP 15 N 0.61 0.00 0.00 1.25 2.91 -1.08 -0.75 115.95 118.90 1r1y h TRP 15 Ca 0.07 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.09 1r1y h TRP 15 Cb 0.82 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.47 1r1y h TRP 15 CO 0.06 0.03 0.00 0.78 -1.03 0.00 0.00 178.44 178.28 1r1y h GLY 16 N 0.68 0.00 -1.00 2.65 0.00 -1.23 -2.41 103.07 101.75 1r1y h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1r1y h GLY 16 CO 0.00 0.00 -0.45 0.28 0.00 0.00 0.00 176.54 176.38 1r1y n LYS 17 N -2.57 1.31 -2.97 4.80 5.02 -0.29 -4.97 118.16 118.49 1r1y n LYS 17 Ca 0.01 -1.01 -0.40 0.00 -2.02 0.00 0.00 58.31 54.88 1r1y n LYS 17 Cb 0.20 -1.45 -0.05 0.00 -0.02 0.00 0.00 35.03 33.71 1r1y n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1r1y s VAL 18 N -2.39 4.75 -0.80 -0.18 1.01 -0.91 -4.97 120.40 116.90 1r1y s VAL 18 Ca 0.18 1.65 -0.19 0.00 0.00 0.00 0.00 61.98 63.62 1r1y s VAL 18 Cb 0.18 -4.12 0.12 0.00 0.00 0.00 0.00 36.38 32.55 1r1y s VAL 18 CO 0.54 0.35 0.98 0.21 0.00 0.00 0.00 175.10 177.18 1r1y s ASN 19 N 0.04 6.47 0.25 3.32 3.84 -1.26 -4.92 114.94 122.68 1r1y s ASN 19 Ca 0.39 -1.80 -0.03 0.00 0.21 0.00 0.00 52.86 51.63 1r1y s ASN 19 Cb -0.20 -2.37 0.49 0.00 -0.55 0.00 0.00 41.25 38.62 1r1y s ASN 19 CO 0.23 -1.10 1.72 0.58 -2.79 0.00 0.00 177.10 175.75 1r1y h VAL 20 N 5.77 0.62 0.07 -5.21 2.07 -1.94 -0.31 116.25 117.32 1r1y h VAL 20 Ca -0.02 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.37 1r1y h VAL 20 Cb 1.05 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 1r1y h VAL 20 CO 1.08 0.08 -0.13 0.44 0.02 0.00 0.00 177.57 179.06 1r1y h ASP 21 N 0.42 -0.37 -0.07 0.57 3.32 -1.91 -1.72 116.42 116.66 1r1y h ASP 21 Ca 0.43 0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.51 1r1y h ASP 21 Cb 0.68 0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.37 1r1y h ASP 21 CO -0.43 -0.20 -0.02 -0.33 -1.72 0.00 0.00 179.24 176.54 1r1y h GLU 22 N -0.26 0.14 -0.50 3.56 5.08 -1.81 -2.62 114.58 118.16 1r1y h GLU 22 Ca 0.02 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1r1y h GLU 22 Cb 0.28 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 1r1y h GLU 22 CO -0.08 0.48 0.33 0.28 -1.00 0.00 0.00 179.01 179.03 1r1y h VAL 23 N -0.21 1.12 -0.35 3.13 2.07 -1.10 -1.09 116.25 119.81 1r1y h VAL 23 Ca 0.02 -0.23 -0.10 0.00 0.82 0.00 0.00 66.70 67.21 1r1y h VAL 23 Cb 0.43 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 1r1y h VAL 23 CO 0.01 0.12 -0.16 1.23 0.02 0.00 0.00 177.57 178.79 1r1y h GLY 24 N 0.67 0.79 1.03 2.17 0.00 -1.28 0.18 103.07 106.63 1r1y h GLY 24 Ca 0.19 -0.71 -0.05 0.00 0.00 0.00 0.00 47.33 46.76 1r1y h GLY 24 CO -0.04 0.64 0.22 -1.33 0.00 0.00 0.00 176.54 176.03 1r1y h GLY 25 N 0.52 1.11 0.99 4.60 0.00 -1.07 0.38 103.07 109.59 1r1y h GLY 25 Ca 0.08 -0.65 -0.05 0.00 0.00 0.00 0.00 47.33 46.71 1r1y h GLY 25 CO 0.05 0.61 0.12 -2.09 0.00 0.00 0.00 176.54 175.23 1r1y h GLU 26 N 0.97 0.84 -0.20 4.80 4.57 -1.00 -0.76 114.58 123.80 1r1y h GLU 26 Ca 0.22 -0.21 -0.07 0.00 -1.18 0.00 0.00 59.36 58.11 1r1y h GLU 26 Cb 0.29 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.76 1r1y h GLU 26 CO -0.01 0.81 -0.16 0.00 -1.18 0.00 0.00 179.01 178.47 1r1y h ALA 27 N 1.00 0.29 -0.76 2.92 0.00 -0.72 -1.63 119.26 120.37 1r1y h ALA 27 Ca 0.16 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1r1y h ALA 27 Cb 0.35 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1r1y h ALA 27 CO 0.00 0.19 0.24 1.25 0.00 0.00 0.00 179.25 180.93 1r1y h LEU 28 N 0.15 1.10 -0.64 0.00 5.85 -0.89 -1.02 115.31 119.87 1r1y h LEU 28 Ca 0.04 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.52 1r1y h LEU 28 Cb 0.69 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 1r1y h LEU 28 CO 0.04 1.02 0.26 1.23 -0.34 0.00 0.00 178.44 180.65 1r1y h GLY 29 N 1.13 1.02 1.21 3.75 0.00 -1.06 -2.28 103.07 106.84 1r1y h GLY 29 Ca 0.24 -0.55 -0.11 0.00 0.00 0.00 0.00 47.33 46.91 1r1y h GLY 29 CO -0.01 0.52 -0.16 3.21 0.00 0.00 0.00 176.54 180.10 1r1y h ARG 30 N 0.90 0.91 -0.63 4.80 3.08 -1.10 -1.77 114.38 120.57 1r1y h ARG 30 Ca 0.21 -0.35 0.07 0.00 0.07 0.00 0.00 59.98 59.98 1r1y h ARG 30 Cb 0.19 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.13 1r1y h ARG 30 CO -0.02 1.00 0.32 1.25 -1.07 0.00 0.00 179.97 181.45 1r1y h LEU 31 N 0.81 0.44 -1.21 3.04 5.85 -0.91 0.62 115.31 123.95 1r1y h LEU 31 Ca 0.12 0.04 -0.08 0.00 0.84 0.00 0.00 57.88 58.81 1r1y h LEU 31 Cb 0.70 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 1r1y h LEU 31 CO 0.05 0.28 -0.36 -0.07 -0.34 0.00 0.00 178.44 178.00 1r1y h LEU 32 N 0.58 0.00 0.13 2.25 4.07 -1.10 -0.90 115.31 120.35 1r1y h LEU 32 Ca 0.29 0.00 -0.28 0.00 0.08 0.00 0.00 57.88 57.98 1r1y h LEU 32 Cb 0.24 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.99 1r1y h LEU 32 CO -0.21 0.36 -1.38 0.58 -1.08 0.00 0.00 178.44 176.70 1r1y h VAL 33 N 0.00 1.09 0.00 1.22 2.07 -0.39 -3.25 116.25 117.00 1r1y h VAL 33 Ca -0.00 -2.44 -0.21 0.00 0.82 0.00 0.00 66.70 64.86 1r1y h VAL 33 Cb 0.72 2.80 -0.00 0.00 -1.52 0.00 0.00 31.29 33.29 1r1y h VAL 33 CO 0.05 0.73 -0.92 0.58 0.02 0.00 0.00 177.57 178.03 1r1y h VAL 34 N -0.24 1.45 -2.51 2.57 2.07 0.21 -3.36 116.25 116.43 1r1y h VAL 34 Ca -0.29 -2.54 -0.60 0.00 0.82 0.00 0.00 66.70 64.10 1r1y h VAL 34 Cb 1.81 2.45 -0.41 0.00 -1.52 0.00 0.00 31.29 33.62 1r1y h VAL 34 CO 0.10 0.75 -0.71 -1.22 0.02 0.00 0.00 177.57 176.51 1r1y n TYR 35 N -3.70 2.34 -0.47 1.57 4.01 -0.35 -4.98 117.16 115.57 1r1y n TYR 35 Ca -0.05 -4.02 0.40 0.00 -0.16 0.00 0.00 57.90 54.07 1r1y n TYR 35 Cb 0.82 -0.44 0.71 0.00 -0.31 0.00 0.00 39.34 40.12 1r1y n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1r1y h PRO 36 N 4.79 0.07 0.00 -0.72 0.11 -1.72 -0.25 132.00 134.28 1r1y h PRO 36 Ca 0.17 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.28 1r1y h PRO 36 Cb 0.76 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.85 1r1y h PRO 36 CO 0.68 0.05 -0.02 0.11 -0.21 0.00 0.00 178.00 178.61 1r1y h TRP 37 N 0.07 0.00 0.00 0.65 0.09 -1.91 -1.90 115.95 112.95 1r1y h TRP 37 Ca 0.76 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.74 1r1y h TRP 37 Cb 2.71 0.00 0.00 0.00 0.08 0.00 0.00 29.16 31.95 1r1y h TRP 37 CO -0.00 0.02 0.00 1.79 0.09 0.00 0.00 178.44 180.33 1r1y h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.34 -2.63 112.91 110.41 1r1y h THR 38 Ca -0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 1r1y h THR 38 Cb 0.05 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 67.42 1r1y h THR 38 CO 0.00 0.00 0.00 1.56 -0.25 0.00 0.00 175.52 176.83 1r1y h GLN 39 N 0.00 0.00 0.00 4.72 4.20 -1.55 -2.99 115.11 119.49 1r1y h GLN 39 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1r1y h GLN 39 Cb 0.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1r1y h GLN 39 CO 0.00 0.00 0.00 2.89 -0.67 0.00 0.00 178.83 181.05 1r1y n ARG 40 N -2.82 0.36 0.00 1.46 1.85 -0.99 -1.22 116.66 115.30 1r1y n ARG 40 Ca -0.01 0.06 0.10 0.00 -1.00 0.00 0.00 57.85 57.01 1r1y n ARG 40 Cb 0.16 -1.50 -0.08 0.00 -1.05 0.00 0.00 32.46 30.00 1r1y n ARG 40 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 1r1y n PHE 41 N -1.12 0.00 -2.29 2.89 3.01 -1.13 -4.37 117.46 114.46 1r1y n PHE 41 Ca 0.09 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.31 1r1y n PHE 41 Cb 0.08 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.56 1r1y n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1r1y n PHE 42 N -0.94 2.96 -0.08 1.38 3.01 -0.36 -4.84 117.46 118.59 1r1y n PHE 42 Ca 0.06 -2.66 0.16 0.00 1.01 0.00 0.00 57.45 56.02 1r1y n PHE 42 Cb 0.38 -0.21 0.57 0.00 -0.01 0.00 0.00 39.48 40.21 1r1y n PHE 42 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1r1y h GLU 43 N 2.41 0.25 -0.24 -1.08 4.39 -1.76 -2.37 114.58 116.19 1r1y h GLU 43 Ca 0.30 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.99 1r1y h GLU 43 Cb 1.22 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.82 1r1y h GLU 43 CO 0.77 0.17 0.00 -1.13 -1.16 0.00 0.00 179.01 177.66 1r1y n SER 44 N -4.44 2.69 -0.01 1.42 3.41 -1.26 -4.41 113.62 111.01 1r1y n SER 44 Ca 0.11 -1.87 0.15 0.00 -0.26 0.00 0.00 58.87 57.00 1r1y n SER 44 Cb 0.51 -0.15 0.80 0.00 -0.26 0.00 0.00 64.21 65.11 1r1y n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1r1y n PHE 45 N 1.01 0.00 -0.87 7.33 0.99 -0.89 -5.03 117.46 120.01 1r1y n PHE 45 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.63 1r1y n PHE 45 Cb 0.50 -0.19 0.00 0.00 -1.00 0.00 0.00 39.48 38.79 1r1y n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1r1y n GLY 46 N 1.20 0.80 3.64 1.37 0.00 -1.26 -4.67 105.19 106.26 1r1y n GLY 46 Ca 0.17 -1.51 -0.43 0.00 0.00 0.00 0.00 46.02 44.26 1r1y n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1r1y s ASP 47 N -4.00 6.33 -0.01 1.61 3.68 -1.26 -4.77 116.67 118.25 1r1y s ASP 47 Ca 0.00 1.97 0.01 0.00 2.13 0.00 0.00 52.55 56.67 1r1y s ASP 47 Cb 0.00 -2.53 0.02 0.00 -1.45 0.00 0.00 42.92 38.96 1r1y s ASP 47 CO 0.00 -1.25 0.81 0.18 0.13 0.00 0.00 175.17 175.04 1r1y n LEU 48 N 8.46 0.31 0.23 -1.34 4.77 -1.26 -4.08 117.00 124.08 1r1y n LEU 48 Ca 0.20 -0.81 0.06 0.00 -0.03 0.00 0.00 56.01 55.43 1r1y n LEU 48 Cb 0.44 -0.03 0.53 0.00 -2.33 0.00 0.00 43.42 42.02 1r1y n LEU 48 CO 0.65 0.20 0.93 0.77 -1.33 0.00 0.00 177.39 178.60 1r1y h SER 49 N 0.00 0.00 -5.22 -1.43 4.64 -1.93 -3.44 113.55 106.17 1r1y h SER 49 Ca 0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 1r1y h SER 49 Cb 1.15 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.09 1r1y h SER 49 CO 0.00 0.15 -0.66 0.42 -0.87 0.00 0.00 176.83 175.87 1r1y s THR 50 N -4.70 0.23 0.17 2.95 -4.23 -1.26 -5.04 115.64 103.76 1r1y s THR 50 Ca -0.04 -1.89 -0.14 0.00 -1.18 0.00 0.00 61.69 58.44 1r1y s THR 50 Cb 0.16 -1.88 0.07 0.00 1.34 0.00 0.00 72.50 72.20 1r1y s THR 50 CO 0.69 -0.65 1.73 -0.65 -0.54 0.00 0.00 174.62 175.20 1r1y h PRO 51 N 2.94 0.24 -0.91 3.99 0.11 -1.99 0.23 132.00 136.61 1r1y h PRO 51 Ca -0.35 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.74 1r1y h PRO 51 Cb 1.18 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 1r1y h PRO 51 CO 0.62 0.16 0.53 -0.44 -0.21 0.00 0.00 178.00 178.66 1r1y h ASP 52 N 0.25 1.10 -0.37 -2.05 3.32 -1.98 -0.43 116.42 116.25 1r1y h ASP 52 Ca 0.21 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.14 1r1y h ASP 52 Cb 0.26 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1r1y h ASP 52 CO -0.26 0.85 0.05 0.00 -1.72 0.00 0.00 179.24 178.16 1r1y h ALA 53 N 1.33 0.50 0.42 3.45 0.00 -1.68 -0.67 119.26 122.61 1r1y h ALA 53 Ca 0.32 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1r1y h ALA 53 Cb -0.03 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1r1y h ALA 53 CO -0.06 0.22 -0.20 0.28 0.00 0.00 0.00 179.25 179.49 1r1y h VAL 54 N 0.46 0.59 0.00 0.00 2.07 -0.57 -1.07 116.25 117.74 1r1y h VAL 54 Ca 0.11 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.56 1r1y h VAL 54 Cb 0.38 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1r1y h VAL 54 CO 0.01 0.01 -0.08 0.24 0.02 0.00 0.00 177.57 177.77 1r1y h MET 55 N -0.60 0.00 -0.02 1.57 2.07 -1.03 -2.51 114.93 114.42 1r1y h MET 55 Ca -0.06 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.57 1r1y h MET 55 Cb 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.18 1r1y h MET 55 CO 0.09 0.08 -0.36 0.41 1.07 0.00 0.00 176.91 178.20 1r1y n GLY 56 N -1.14 -0.03 3.63 8.32 0.00 -0.27 -4.90 105.19 110.81 1r1y n GLY 56 Ca -0.03 -0.58 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 1r1y n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1r1y s ASN 57 N -2.42 6.16 0.44 1.61 3.84 -0.42 -4.91 114.94 119.25 1r1y s ASN 57 Ca 0.22 1.97 0.10 0.00 0.21 0.00 0.00 52.86 55.36 1r1y s ASN 57 Cb 0.19 -2.53 0.98 0.00 -0.55 0.00 0.00 41.25 39.34 1r1y s ASN 57 CO 0.53 -1.38 2.06 1.55 -2.79 0.00 0.00 177.10 177.07 1r1y h PRO 58 N 11.79 0.40 0.00 0.43 0.13 -1.90 -1.43 132.00 141.42 1r1y h PRO 58 Ca -0.40 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.64 1r1y h PRO 58 Cb 1.20 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1r1y h PRO 58 CO 0.97 0.27 -0.35 0.87 -0.23 0.00 0.00 178.00 179.53 1r1y h LYS 59 N 0.41 0.00 -0.05 0.86 1.57 -1.91 0.65 116.57 118.10 1r1y h LYS 59 Ca 0.15 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.77 1r1y h LYS 59 Cb 0.08 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.40 1r1y h LYS 59 CO -0.03 0.35 -0.56 0.28 -0.57 0.00 0.00 179.45 178.91 1r1y h VAL 60 N 0.00 1.39 -0.67 0.50 2.07 -1.60 -1.51 116.25 116.42 1r1y h VAL 60 Ca -0.00 -1.95 -0.05 0.00 0.82 0.00 0.00 66.70 65.52 1r1y h VAL 60 Cb 0.76 2.38 -0.03 0.00 -1.52 0.00 0.00 31.29 32.88 1r1y h VAL 60 CO 0.04 0.58 0.21 0.11 0.02 0.00 0.00 177.57 178.54 1r1y h LYS 61 N 0.03 1.04 -0.67 1.57 1.57 -1.04 0.90 116.57 119.96 1r1y h LYS 61 Ca -0.06 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.45 1r1y h LYS 61 Cb 1.24 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 33.37 1r1y h LYS 61 CO 0.11 0.90 0.22 0.00 -0.57 0.00 0.00 179.45 180.11 1r1y h ALA 62 N 1.09 0.87 -0.21 3.86 0.00 -0.89 -1.94 119.26 122.04 1r1y h ALA 62 Ca 0.22 -0.21 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 1r1y h ALA 62 Cb 0.29 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1r1y h ALA 62 CO -0.01 0.54 -0.59 1.25 0.00 0.00 0.00 179.25 180.44 1r1y h HIS 63 N 0.97 0.88 -0.78 0.00 -0.00 -0.95 -2.62 115.15 112.66 1r1y h HIS 63 Ca 0.22 -0.33 0.06 0.00 -0.00 0.00 0.00 60.37 60.32 1r1y h HIS 63 Cb 0.28 -0.16 -0.05 0.00 -0.00 0.00 0.00 27.41 27.49 1r1y h HIS 63 CO 0.02 1.11 0.51 0.78 -0.00 0.00 0.00 177.93 180.35 1r1y h GLY 64 N 0.88 1.06 0.93 5.26 0.00 -0.57 -0.64 103.07 109.99 1r1y h GLY 64 Ca -0.00 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 46.96 1r1y h GLY 64 CO 0.12 0.26 0.12 1.70 0.00 0.00 0.00 176.54 178.74 1r1y h LYS 65 N 0.85 0.57 -0.29 4.80 3.64 -1.08 -0.35 116.57 124.71 1r1y h LYS 65 Ca 0.33 -0.12 -0.03 0.00 -1.27 0.00 0.00 60.65 59.56 1r1y h LYS 65 Cb 0.21 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1r1y h LYS 65 CO -0.11 0.58 0.08 0.87 -2.27 0.00 0.00 179.45 178.60 1r1y h LYS 66 N 0.44 0.46 0.12 1.90 1.57 -1.01 -1.18 116.57 118.87 1r1y h LYS 66 Ca 0.12 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1r1y h LYS 66 Cb 0.25 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.50 1r1y h LYS 66 CO -0.00 0.54 -0.06 0.28 -0.57 0.00 0.00 179.45 179.63 1r1y h VAL 67 N 0.31 0.88 0.00 0.50 2.07 -1.07 -2.18 116.25 116.75 1r1y h VAL 67 Ca 0.09 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.59 1r1y h VAL 67 Cb 0.28 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1r1y h VAL 67 CO 0.00 0.00 -0.09 0.25 0.02 0.00 0.00 177.57 177.75 1r1y h LEU 68 N -0.16 0.00 -0.45 2.57 5.85 -1.04 -2.33 115.31 119.75 1r1y h LEU 68 Ca -0.02 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.56 1r1y h LEU 68 Cb 0.13 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1r1y h LEU 68 CO 0.03 0.09 -0.27 1.23 -0.34 0.00 0.00 178.44 179.18 1r1y h GLY 69 N 1.93 1.06 1.46 3.75 0.00 -0.74 0.16 103.07 110.69 1r1y h GLY 69 Ca -0.00 -0.98 -0.12 0.00 0.00 0.00 0.00 47.33 46.22 1r1y h GLY 69 CO 0.01 0.89 -0.33 0.00 0.00 0.00 0.00 176.54 177.12 1r1y h ALA 70 N 0.83 0.90 -0.26 3.60 0.00 -0.91 -0.48 119.26 122.95 1r1y h ALA 70 Ca 0.09 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 1r1y h ALA 70 Cb 0.85 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1r1y h ALA 70 CO 0.08 0.62 0.00 0.35 0.00 0.00 0.00 179.25 180.30 1r1y h PHE 71 N 0.52 0.49 -0.54 0.00 3.57 -1.30 -2.18 116.94 117.49 1r1y h PHE 71 Ca 0.06 -0.08 0.05 0.00 3.53 0.00 0.00 57.97 61.53 1r1y h PHE 71 Cb 0.81 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.38 1r1y h PHE 71 CO 0.03 0.61 0.27 1.03 -2.23 0.00 0.00 178.31 178.02 1r1y h SER 72 N 0.23 0.39 -0.69 0.41 0.87 -0.28 -1.22 113.55 113.26 1r1y h SER 72 Ca 0.07 0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.62 1r1y h SER 72 Cb 0.41 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 62.30 1r1y h SER 72 CO 0.01 0.27 0.25 0.44 -0.53 0.00 0.00 176.83 177.26 1r1y h ASP 73 N 0.53 0.99 -0.02 6.23 3.32 -1.04 -2.53 116.42 123.90 1r1y h ASP 73 Ca 0.24 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.13 1r1y h ASP 73 Cb 0.16 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.45 1r1y h ASP 73 CO -0.17 0.91 0.02 1.23 -1.72 0.00 0.00 179.24 179.50 1r1y h GLY 74 N 1.09 0.01 1.76 2.75 0.00 -0.58 -1.35 103.07 106.75 1r1y h GLY 74 Ca 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 1r1y h GLY 74 CO -0.01 0.00 0.12 1.41 0.00 0.00 0.00 176.54 178.06 1r1y h LEU 75 N 0.01 0.00 -0.08 3.11 4.07 -0.93 0.29 115.31 121.78 1r1y h LEU 75 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.97 1r1y h LEU 75 Cb 0.03 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.77 1r1y h LEU 75 CO -0.00 0.00 -0.08 0.00 -1.08 0.00 0.00 178.44 177.28 1r1y n ALA 76 N -2.03 2.63 -2.62 1.53 0.00 -0.51 -4.03 120.51 115.49 1r1y n ALA 76 Ca -0.02 -0.19 -0.08 0.00 0.00 0.00 0.00 53.44 53.14 1r1y n ALA 76 Cb 0.18 -1.40 0.04 0.00 0.00 0.00 0.00 19.45 18.27 1r1y n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1r1y n HIS 77 N -1.22 1.69 0.21 0.00 8.25 0.10 -4.91 115.22 119.33 1r1y n HIS 77 Ca 0.12 -2.30 0.18 0.00 -0.26 0.00 0.00 57.72 55.46 1r1y n HIS 77 Cb 0.28 -0.27 0.78 0.00 1.12 0.00 0.00 29.99 31.90 1r1y n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1r1y h LEU 78 N 2.57 0.00 -0.63 2.41 3.38 -1.68 0.33 115.31 121.68 1r1y h LEU 78 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1r1y h LEU 78 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1r1y h LEU 78 CO 0.39 0.00 -0.22 0.47 0.09 0.00 0.00 178.44 179.16 1r1y n ASP 79 N -3.34 1.21 -2.69 -0.43 8.00 -1.26 -4.31 116.55 113.73 1r1y n ASP 79 Ca 0.03 -1.05 -0.09 0.00 0.71 0.00 0.00 54.79 54.38 1r1y n ASP 79 Cb 0.51 0.13 0.03 0.00 -0.02 0.00 0.00 41.12 41.77 1r1y n ASP 79 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1r1y n ASN 80 N -0.44 1.38 -0.25 -2.24 3.02 0.11 -4.95 115.26 111.90 1r1y n ASN 80 Ca 0.13 -2.72 -0.06 0.00 -0.03 0.00 0.00 54.58 51.90 1r1y n ASN 80 Cb 0.36 -0.52 0.05 0.00 -0.61 0.00 0.00 39.78 39.06 1r1y n ASN 80 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1r1y h LEU 81 N 2.99 0.89 -0.31 3.41 3.38 -1.71 -0.79 115.31 123.18 1r1y h LEU 81 Ca -0.09 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.77 1r1y h LEU 81 Cb 1.17 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 1r1y h LEU 81 CO 0.50 0.75 0.18 0.11 0.09 0.00 0.00 178.44 180.07 1r1y h LYS 82 N 0.96 0.36 -0.46 1.13 1.57 -1.88 -0.55 116.57 117.70 1r1y h LYS 82 Ca 0.24 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.87 1r1y h LYS 82 Cb 0.08 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1r1y h LYS 82 CO -0.03 0.24 -0.23 0.78 -0.57 0.00 0.00 179.45 179.64 1r1y h GLY 83 N 0.37 1.02 1.01 3.86 0.00 -1.92 -1.77 103.07 105.63 1r1y h GLY 83 Ca 0.12 -0.90 0.01 0.00 0.00 0.00 0.00 47.33 46.55 1r1y h GLY 83 CO -0.05 0.82 0.65 -0.84 0.00 0.00 0.00 176.54 177.12 1r1y h THR 84 N 0.81 1.26 -0.55 4.70 2.02 -0.74 -3.11 112.91 117.29 1r1y h THR 84 Ca 0.10 -0.47 0.00 0.00 0.77 0.00 0.00 66.41 66.81 1r1y h THR 84 Cb 0.79 -0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.01 1r1y h THR 84 CO 0.07 0.25 0.00 0.49 0.37 0.00 0.00 175.52 176.69 1r1y n PHE 85 N -4.39 0.73 -0.14 3.16 3.01 -0.25 -4.64 117.46 114.93 1r1y n PHE 85 Ca 0.12 -0.45 -0.03 0.00 1.01 0.00 0.00 57.45 58.10 1r1y n PHE 85 Cb 0.01 -0.01 0.05 0.00 -0.01 0.00 0.00 39.48 39.53 1r1y n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1r1y h ALA 86 N 3.58 0.49 -0.18 4.37 0.00 -1.25 0.58 119.26 126.86 1r1y h ALA 86 Ca 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1r1y h ALA 86 Cb 0.90 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1r1y h ALA 86 CO 0.00 -0.34 0.08 1.15 0.00 0.00 0.00 179.25 180.15 1r1y h THR 87 N 0.19 1.13 -0.21 0.00 2.02 -1.82 -1.55 112.91 112.67 1r1y h THR 87 Ca 0.23 -0.37 -0.09 0.00 0.77 0.00 0.00 66.41 66.95 1r1y h THR 87 Cb 0.31 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1r1y h THR 87 CO -0.33 0.12 -0.27 -0.07 0.37 0.00 0.00 175.52 175.34 1r1y h LEU 88 N 0.16 0.40 -0.09 2.58 3.38 -1.78 -2.00 115.31 117.96 1r1y h LEU 88 Ca 0.06 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.91 1r1y h LEU 88 Cb 0.12 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1r1y h LEU 88 CO -0.01 0.67 -0.03 -1.28 0.09 0.00 0.00 178.44 177.88 1r1y h SER 89 N 0.35 -0.11 -0.97 -0.43 0.87 0.55 0.36 113.55 114.17 1r1y h SER 89 Ca 0.05 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1r1y h SER 89 Cb 0.67 0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.65 1r1y h SER 89 CO 0.05 -0.04 0.62 -0.33 -0.53 0.00 0.00 176.83 176.59 1r1y h GLU 90 N -0.02 1.30 0.12 2.24 5.08 -1.07 -1.73 114.58 120.50 1r1y h GLU 90 Ca 0.04 -0.10 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1r1y h GLU 90 Cb 0.09 -0.28 -0.00 0.00 0.50 0.00 0.00 28.75 29.05 1r1y h GLU 90 CO -0.10 0.88 -0.06 1.25 -1.00 0.00 0.00 179.01 179.98 1r1y h LEU 91 N 1.33 -0.15 -1.83 1.33 5.85 -0.83 0.22 115.31 121.23 1r1y h LEU 91 Ca 0.35 0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.07 1r1y h LEU 91 Cb -0.11 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1r1y h LEU 91 CO -0.07 -0.10 0.02 0.45 -0.34 0.00 0.00 178.44 178.39 1r1y h HIS 92 N -0.17 0.12 0.00 1.25 3.86 -0.62 -0.04 115.15 119.55 1r1y h HIS 92 Ca -0.01 -0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.13 1r1y h HIS 92 Cb 0.13 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 1r1y h HIS 92 CO -0.08 0.12 -0.51 0.00 0.86 0.00 0.00 177.93 178.32 1r1y h ASP 94 N -1.00 0.66 0.02 0.00 3.32 -0.56 -3.23 116.42 115.65 1r1y h ASP 94 Ca -0.10 -0.58 -0.39 0.00 0.02 0.00 0.00 57.03 55.98 1r1y h ASP 94 Cb 0.72 -0.19 -0.06 0.00 0.22 0.00 0.00 39.33 40.02 1r1y h ASP 94 CO -0.06 1.13 -2.34 0.29 -1.72 0.00 0.00 179.24 176.53 1r1y n LYS 95 N -4.24 0.66 0.10 3.56 4.76 -0.11 -4.63 118.16 118.26 1r1y n LYS 95 Ca -0.07 0.21 0.08 0.00 -2.87 0.00 0.00 58.31 55.67 1r1y n LYS 95 Cb 0.56 -1.56 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 1r1y n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1r1y h LEU 96 N -0.21 0.00 -0.98 -0.35 3.38 -1.44 -3.49 115.31 112.23 1r1y h LEU 96 Ca -0.56 0.00 -0.44 0.00 0.09 0.00 0.00 57.88 56.97 1r1y h LEU 96 Cb 1.85 0.00 0.05 0.00 0.09 0.00 0.00 40.66 42.65 1r1y h LEU 96 CO -0.12 0.16 -0.73 1.41 0.09 0.00 0.00 178.44 179.25 1r1y n HIS 97 N -2.80 -2.55 -3.12 1.13 8.25 -0.52 -4.95 115.22 110.66 1r1y n HIS 97 Ca -0.02 0.96 -0.40 0.00 -0.26 0.00 0.00 57.72 58.00 1r1y n HIS 97 Cb 0.63 -4.50 -0.06 0.00 1.12 0.00 0.00 29.99 27.17 1r1y n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1r1y s VAL 98 N -3.33 5.03 -0.04 1.59 1.01 -0.67 -5.01 120.40 118.97 1r1y s VAL 98 Ca 0.58 1.18 -0.30 0.00 0.00 0.00 0.00 61.98 63.45 1r1y s VAL 98 Cb -0.28 -3.94 -0.07 0.00 0.00 0.00 0.00 36.38 32.09 1r1y s VAL 98 CO 0.78 0.13 1.89 -0.62 0.00 0.00 0.00 175.10 177.28 1r1y s ASP 99 N 1.16 6.36 0.39 3.32 3.68 -1.26 -4.76 116.67 125.57 1r1y s ASP 99 Ca 0.29 2.36 0.23 0.00 2.13 0.00 0.00 52.55 57.56 1r1y s ASP 99 Cb -0.16 -2.53 1.24 0.00 -1.45 0.00 0.00 42.92 40.02 1r1y s ASP 99 CO 0.11 -1.17 1.67 -0.65 0.13 0.00 0.00 175.17 175.26 1r1y h PRO 100 N 10.96 0.00 0.00 4.34 0.11 -1.96 -1.40 132.00 144.05 1r1y h PRO 100 Ca -0.44 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1r1y h PRO 100 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1r1y h PRO 100 CO 0.95 0.00 -0.06 1.49 -0.21 0.00 0.00 178.00 180.17 1r1y h GLU 101 N 0.00 0.00 0.00 1.05 4.57 -1.99 -1.52 114.58 116.70 1r1y h GLU 101 Ca 0.00 0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.14 1r1y h GLU 101 Cb 0.23 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 1r1y h GLU 101 CO 0.00 0.06 -0.17 -0.91 -1.18 0.00 0.00 179.01 176.81 1r1y h ASN 102 N 0.00 0.00 -0.61 1.04 2.35 -1.63 -2.61 115.58 114.12 1r1y h ASN 102 Ca -0.00 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 1r1y h ASN 102 Cb 0.11 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 1r1y h ASN 102 CO 0.01 0.17 0.12 -0.26 -1.65 0.00 0.00 177.43 175.81 1r1y h PHE 103 N 0.00 1.08 -0.36 1.19 0.04 -1.46 -0.52 116.94 116.90 1r1y h PHE 103 Ca -0.00 -0.13 -0.04 0.00 2.80 0.00 0.00 57.97 60.60 1r1y h PHE 103 Cb 0.60 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 38.43 1r1y h PHE 103 CO 0.00 0.90 0.07 -0.09 -0.60 0.00 0.00 178.31 178.59 1r1y h ARG 104 N 0.97 0.59 -0.43 1.51 2.43 -1.53 -1.65 114.38 116.27 1r1y h ARG 104 Ca 0.20 -0.15 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1r1y h ARG 104 Cb 0.40 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 1r1y h ARG 104 CO 0.01 0.65 0.17 -0.07 -1.51 0.00 0.00 179.97 179.21 1r1y h LEU 105 N 0.43 0.59 -1.14 3.80 3.38 -1.42 -1.67 115.31 119.28 1r1y h LEU 105 Ca 0.11 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1r1y h LEU 105 Cb 0.33 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 1r1y h LEU 105 CO 0.00 0.60 0.55 0.25 0.09 0.00 0.00 178.44 179.93 1r1y h LEU 106 N 0.54 0.99 -0.79 1.67 5.85 -0.96 -0.42 115.31 122.19 1r1y h LEU 106 Ca 0.14 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1r1y h LEU 106 Cb 0.19 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 1r1y h LEU 106 CO -0.01 0.73 0.42 1.23 -0.34 0.00 0.00 178.44 180.47 1r1y h GLY 107 N 1.16 1.20 1.37 3.75 0.00 -0.84 0.11 103.07 109.82 1r1y h GLY 107 Ca 0.31 -0.56 -0.13 0.00 0.00 0.00 0.00 47.33 46.96 1r1y h GLY 107 CO -0.06 0.53 -0.32 3.43 0.00 0.00 0.00 176.54 180.12 1r1y h ASN 108 N 1.11 0.73 -0.32 0.19 2.35 -0.56 -1.86 115.58 117.22 1r1y h ASN 108 Ca 0.28 -0.30 -0.09 0.00 -0.55 0.00 0.00 56.30 55.64 1r1y h ASN 108 Cb 0.05 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 1r1y h ASN 108 CO -0.04 1.00 -0.11 0.58 -1.65 0.00 0.00 177.43 177.20 1r1y h VAL 109 N 0.60 1.26 -0.64 2.81 2.07 -0.71 -1.72 116.25 119.92 1r1y h VAL 109 Ca 0.07 -1.16 -0.08 0.00 0.82 0.00 0.00 66.70 66.35 1r1y h VAL 109 Cb 0.83 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 1r1y h VAL 109 CO 0.07 0.39 0.07 0.25 0.02 0.00 0.00 177.57 178.37 1r1y h LEU 110 N 0.68 1.04 -0.84 2.57 5.85 -0.56 -0.60 115.31 123.45 1r1y h LEU 110 Ca 0.12 -0.28 -0.00 0.00 0.84 0.00 0.00 57.88 58.56 1r1y h LEU 110 Cb 0.58 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 1r1y h LEU 110 CO 0.04 1.06 0.52 0.58 -0.34 0.00 0.00 178.44 180.30 1r1y h VAL 111 N 0.99 1.23 -0.54 1.05 2.07 -0.93 -0.52 116.25 119.60 1r1y h VAL 111 Ca 0.19 -0.47 -0.07 0.00 0.82 0.00 0.00 66.70 67.17 1r1y h VAL 111 Cb 0.49 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 1r1y h VAL 111 CO 0.02 0.23 0.07 0.00 0.02 0.00 0.00 177.57 177.91 1r1y h VAL 113 N 0.82 1.25 -0.79 0.00 2.07 -0.31 0.32 116.25 119.62 1r1y h VAL 113 Ca 0.17 -0.94 -0.04 0.00 0.82 0.00 0.00 66.70 66.71 1r1y h VAL 113 Cb 0.39 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 1r1y h VAL 113 CO 0.01 0.31 0.34 -0.07 0.02 0.00 0.00 177.57 178.18 1r1y h LEU 114 N 0.41 1.06 -0.31 2.57 3.38 -0.98 0.13 115.31 121.57 1r1y h LEU 114 Ca 0.10 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1r1y h LEU 114 Cb 0.43 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1r1y h LEU 114 CO 0.02 0.93 0.10 0.00 0.09 0.00 0.00 178.44 179.57 1r1y h ALA 115 N 1.18 0.41 -0.38 1.53 0.00 -0.99 0.88 119.26 121.88 1r1y h ALA 115 Ca 0.26 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 1r1y h ALA 115 Cb 0.18 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1r1y h ALA 115 CO -0.03 0.05 0.12 1.25 0.00 0.00 0.00 179.25 180.64 1r1y h HIS 116 N 0.35 0.61 -0.17 0.00 -0.00 -0.68 -0.29 115.15 114.98 1r1y h HIS 116 Ca 0.10 -0.06 -0.19 0.00 -0.00 0.00 0.00 60.37 60.22 1r1y h HIS 116 Cb 0.25 -0.18 0.01 0.00 -0.00 0.00 0.00 27.41 27.49 1r1y h HIS 116 CO 0.01 0.58 -0.65 1.25 -0.00 0.00 0.00 177.93 179.12 1r1y h HIS 117 N 0.47 0.97 0.00 5.26 6.17 -0.67 -3.33 115.15 124.02 1r1y h HIS 117 Ca 0.12 -0.41 0.00 0.00 0.71 0.00 0.00 60.37 60.79 1r1y h HIS 117 Cb 0.25 -0.16 0.00 0.00 2.52 0.00 0.00 27.41 30.02 1r1y h HIS 117 CO 0.01 1.23 -0.95 1.19 0.71 0.00 0.00 177.93 180.11 1r1y n PHE 118 N -4.04 0.16 -4.61 5.26 3.01 0.30 -5.05 117.46 112.48 1r1y n PHE 118 Ca -0.07 0.05 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1r1y n PHE 118 Cb 0.68 -0.32 0.00 0.00 -0.01 0.00 0.00 39.48 39.83 1r1y n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1r1y n GLY 119 N 1.41 3.06 0.47 1.37 0.00 -0.12 -2.82 105.19 108.57 1r1y n GLY 119 Ca 0.03 -0.34 0.29 0.00 0.00 0.00 0.00 46.02 46.00 1r1y n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1r1y h LYS 120 N 0.00 0.11 0.00 1.61 3.64 -1.97 0.31 116.57 120.27 1r1y h LYS 120 Ca 0.00 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1r1y h LYS 120 Cb 0.00 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1r1y h LYS 120 CO 0.00 0.07 -0.03 1.49 -2.27 0.00 0.00 179.45 178.71 1r1y h GLU 121 N 0.11 0.00 -3.44 1.90 4.81 -1.92 -3.22 114.58 112.82 1r1y h GLU 121 Ca 0.51 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.98 1r1y h GLU 121 Cb 1.81 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 31.05 1r1y h GLU 121 CO -0.08 0.03 2.11 0.34 -0.73 0.00 0.00 179.01 180.69 1r1y n PHE 122 N -3.27 2.91 -0.83 0.92 7.35 0.11 -4.94 117.46 119.70 1r1y n PHE 122 Ca -0.02 -2.79 -0.29 0.00 -0.76 0.00 0.00 57.45 53.59 1r1y n PHE 122 Cb 0.16 -1.96 0.20 0.00 0.35 0.00 0.00 39.48 38.23 1r1y n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1r1y s THR 123 N 0.37 2.20 0.24 -2.13 -4.23 -1.22 -4.63 115.64 106.24 1r1y s THR 123 Ca 0.41 0.07 -0.06 0.00 -1.18 0.00 0.00 61.69 60.93 1r1y s THR 123 Cb 0.11 -2.29 0.20 0.00 1.34 0.00 0.00 72.50 71.85 1r1y s THR 123 CO -0.01 -0.09 1.82 -0.65 -0.54 0.00 0.00 174.62 175.16 1r1y h PRO 124 N -2.12 0.80 -0.17 3.99 0.11 -1.93 0.15 132.00 132.83 1r1y h PRO 124 Ca -0.54 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 65.41 1r1y h PRO 124 Cb 1.31 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1r1y h PRO 124 CO 0.51 0.53 -0.35 -1.35 -0.21 0.00 0.00 178.00 177.13 1r1y h PRO 125 N 0.82 0.35 -0.26 1.05 0.11 -1.99 -0.40 132.00 131.68 1r1y h PRO 125 Ca 0.37 -0.15 -0.17 0.00 0.11 0.00 0.00 66.00 66.15 1r1y h PRO 125 Cb 0.26 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.36 1r1y h PRO 125 CO -0.21 0.66 -0.51 0.28 -0.21 0.00 0.00 178.00 178.01 1r1y h VAL 126 N 0.30 1.29 -0.23 3.15 2.07 -1.74 -2.37 116.25 118.73 1r1y h VAL 126 Ca 0.04 -1.71 0.03 0.00 0.82 0.00 0.00 66.70 65.88 1r1y h VAL 126 Cb 0.76 1.70 -0.03 0.00 -1.52 0.00 0.00 31.29 32.20 1r1y h VAL 126 CO 0.06 0.55 0.03 -0.61 0.02 0.00 0.00 177.57 177.62 1r1y h GLN 127 N 0.56 0.11 -0.99 1.57 4.15 -0.47 -1.56 115.11 118.48 1r1y h GLN 127 Ca 0.01 -0.01 0.11 0.00 0.77 0.00 0.00 58.65 59.53 1r1y h GLN 127 Cb 1.12 -0.02 -0.08 0.00 0.21 0.00 0.00 27.48 28.71 1r1y h GLN 127 CO 0.11 0.07 0.63 0.00 -1.93 0.00 0.00 178.83 177.72 1r1y h ALA 128 N 1.17 1.51 -0.00 3.38 0.00 -0.94 0.24 119.26 124.62 1r1y h ALA 128 Ca 0.10 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1r1y h ALA 128 Cb 0.11 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1r1y h ALA 128 CO -0.15 0.27 0.00 0.00 0.00 0.00 0.00 179.25 179.37 1r1y h ALA 129 N 1.52 0.00 -0.11 0.00 0.00 -0.92 -2.26 119.26 117.49 1r1y h ALA 129 Ca 0.47 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.28 1r1y h ALA 129 Cb 0.41 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1r1y h ALA 129 CO -0.23 -0.43 -0.07 1.88 0.00 0.00 0.00 179.25 180.40 1r1y h TYR 130 N -0.14 0.16 -0.71 0.00 0.05 -0.29 -1.53 116.97 114.51 1r1y h TYR 130 Ca 0.00 -0.01 -0.05 0.00 0.05 0.00 0.00 58.73 58.72 1r1y h TYR 130 Cb 0.15 -0.05 -0.03 0.00 1.01 0.00 0.00 36.73 37.81 1r1y h TYR 130 CO -0.03 0.24 0.23 1.96 -1.05 0.00 0.00 178.16 179.52 1r1y h GLN 131 N 0.16 1.10 -0.14 4.88 1.08 -0.22 0.16 115.11 122.12 1r1y h GLN 131 Ca 0.04 -0.23 -0.01 0.00 -1.45 0.00 0.00 58.65 57.00 1r1y h GLN 131 Cb 0.23 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 1r1y h GLN 131 CO 0.01 0.93 0.06 0.87 -0.95 0.00 0.00 178.83 179.76 1r1y h LYS 132 N 1.04 0.21 0.65 1.46 1.57 -0.83 -2.27 116.57 118.40 1r1y h LYS 132 Ca 0.23 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 1r1y h LYS 132 Cb 0.29 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1r1y h LYS 132 CO -0.01 0.28 -0.41 0.28 -0.57 0.00 0.00 179.45 179.02 1r1y h VAL 133 N 0.09 0.17 -0.54 0.50 2.07 -0.85 -0.46 116.25 117.23 1r1y h VAL 133 Ca 0.05 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.66 1r1y h VAL 133 Cb 0.15 0.17 -0.03 0.00 -1.52 0.00 0.00 31.29 30.06 1r1y h VAL 133 CO -0.01 0.00 0.36 -0.37 0.02 0.00 0.00 177.57 177.58 1r1y h VAL 134 N -1.00 0.90 -0.05 2.57 -1.51 -0.71 0.78 116.25 117.22 1r1y h VAL 134 Ca -0.08 -0.12 -0.19 0.00 -1.23 0.00 0.00 66.70 65.08 1r1y h VAL 134 Cb 0.81 0.53 -0.00 0.00 -2.13 0.00 0.00 31.29 30.49 1r1y h VAL 134 CO 0.07 0.06 -0.77 0.00 -1.23 0.00 0.00 177.57 175.70 1r1y h ALA 135 N 1.73 0.57 -0.55 5.19 0.00 -1.21 -1.16 119.26 123.82 1r1y h ALA 135 Ca 0.25 -0.63 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 1r1y h ALA 135 Cb 0.53 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1r1y h ALA 135 CO -0.06 0.79 0.01 0.78 0.00 0.00 0.00 179.25 180.77 1r1y h GLY 136 N 1.37 1.00 1.03 0.00 0.00 0.78 -0.43 103.07 106.82 1r1y h GLY 136 Ca -0.04 -0.70 -0.16 0.00 0.00 0.00 0.00 47.33 46.44 1r1y h GLY 136 CO 0.13 0.64 -0.47 -2.08 0.00 0.00 0.00 176.54 174.76 1r1y h VAL 137 N 0.86 1.30 -0.44 4.60 2.07 -0.87 -0.49 116.25 123.29 1r1y h VAL 137 Ca 0.16 -1.69 0.00 0.00 0.82 0.00 0.00 66.70 66.00 1r1y h VAL 137 Cb 0.49 1.79 -0.02 0.00 -1.52 0.00 0.00 31.29 32.03 1r1y h VAL 137 CO 0.02 0.53 0.29 0.00 0.02 0.00 0.00 177.57 178.43 1r1y h ALA 138 N 0.62 0.55 -0.67 1.67 0.00 -1.13 0.16 119.26 120.48 1r1y h ALA 138 Ca 0.01 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1r1y h ALA 138 Cb 1.08 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 1r1y h ALA 138 CO 0.11 0.01 0.33 -0.97 0.00 0.00 0.00 179.25 178.73 1r1y h ASN 139 N 0.59 0.86 -0.38 0.00 -1.24 -1.00 -1.35 115.58 113.07 1r1y h ASN 139 Ca 0.16 -0.12 -0.04 0.00 0.71 0.00 0.00 56.30 57.01 1r1y h ASN 139 Cb -0.06 -0.22 -0.02 0.00 0.73 0.00 0.00 38.32 38.76 1r1y h ASN 139 CO -0.03 0.74 0.08 0.00 -1.29 0.00 0.00 177.43 176.93 1r1y h ALA 140 N 1.15 0.50 0.00 1.57 0.00 -0.62 -1.13 119.26 120.73 1r1y h ALA 140 Ca 0.23 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1r1y h ALA 140 Cb 0.10 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1r1y h ALA 140 CO -0.03 0.18 -0.07 -0.07 0.00 0.00 0.00 179.25 179.26 1r1y h LEU 141 N 0.47 0.00 -0.40 0.00 3.38 -0.44 -2.30 115.31 116.01 1r1y h LEU 141 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1r1y h LEU 141 Cb 0.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1r1y h LEU 141 CO 0.00 0.07 -0.50 0.00 0.09 0.00 0.00 178.44 178.10 1r1y n ALA 142 N -2.17 3.62 0.07 1.53 0.00 -0.53 -4.39 120.51 118.64 1r1y n ALA 142 Ca -0.01 -0.48 0.04 0.00 0.00 0.00 0.00 53.44 52.99 1r1y n ALA 142 Cb 0.24 -0.98 0.46 0.00 0.00 0.00 0.00 19.45 19.17 1r1y n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1r1y h HIS 143 N 0.99 0.37 -0.32 0.00 6.17 -0.61 -2.78 115.15 118.96 1r1y h HIS 143 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1r1y h HIS 143 Cb 0.56 -0.12 0.00 0.00 2.52 0.00 0.00 27.41 30.37 1r1y h HIS 143 CO 0.00 0.27 0.00 1.63 0.71 0.00 0.00 177.93 180.54 1r1y n LYS 144 N -4.45 1.99 -2.09 5.26 4.76 -1.26 -4.94 118.16 117.43 1r1y n LYS 144 Ca 0.01 -1.52 -0.36 0.00 -2.87 0.00 0.00 58.31 53.57 1r1y n LYS 144 Cb 0.10 -1.40 0.02 0.00 -1.84 0.00 0.00 35.03 31.92 1r1y n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1r1y s TYR 145 N -1.58 2.52 0.00 2.13 2.02 -1.05 -4.75 117.35 116.64 1r1y s TYR 145 Ca 0.33 1.51 0.00 0.00 -0.37 0.00 0.00 57.07 58.54 1r1y s TYR 145 Cb 0.18 -3.45 0.00 0.00 -0.40 0.00 0.00 41.96 38.28 1r1y s TYR 145 CO 0.25 -2.02 0.00 -2.39 -1.57 0.00 0.00 175.55 169.82