#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1r1y s LEU 2 N 0.00 3.98 0.97 1.34 1.43 -1.26 -5.02 118.68 120.12 1r1y s LEU 2 Ca 0.00 1.04 -0.14 0.00 -1.03 0.00 0.00 54.13 54.00 1r1y s LEU 2 Cb 0.00 -3.47 0.18 0.00 0.03 0.00 0.00 46.19 42.93 1r1y s LEU 2 CO 0.00 -0.81 1.16 -0.94 0.23 0.00 0.00 176.35 175.99 1r1y s SER 3 N 1.58 2.95 0.27 2.29 1.04 -1.26 -4.82 113.70 115.75 1r1y s SER 3 Ca 0.43 0.81 -0.03 0.00 0.48 0.00 0.00 55.95 57.63 1r1y s SER 3 Cb -0.13 -1.25 0.35 0.00 0.10 0.00 0.00 66.02 65.10 1r1y s SER 3 CO 0.13 -2.88 1.89 -0.65 0.98 0.00 0.00 173.24 172.71 1r1y h PRO 4 N -1.73 1.08 -0.65 4.02 0.11 -2.00 -1.63 132.00 131.21 1r1y h PRO 4 Ca -0.49 -0.12 -0.09 0.00 0.11 0.00 0.00 66.00 65.41 1r1y h PRO 4 Cb 1.31 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 1r1y h PRO 4 CO 0.53 0.80 0.07 0.00 -0.21 0.00 0.00 178.00 179.19 1r1y h ALA 5 N 1.38 0.87 -0.17 -0.75 0.00 -1.99 -1.03 119.26 117.56 1r1y h ALA 5 Ca 0.27 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 54.94 1r1y h ALA 5 Cb 0.03 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 1r1y h ALA 5 CO -0.04 0.66 -0.06 -0.44 0.00 0.00 0.00 179.25 179.36 1r1y h ASP 6 N 1.01 -0.22 -0.83 0.00 3.32 -1.75 0.27 116.42 118.22 1r1y h ASP 6 Ca 0.19 0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 1r1y h ASP 6 Cb 0.48 0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.13 1r1y h ASP 6 CO 0.02 -0.09 0.46 0.11 -1.72 0.00 0.00 179.24 178.02 1r1y h LYS 7 N -0.03 1.16 -0.29 3.56 1.57 -1.05 0.32 116.57 121.81 1r1y h LYS 7 Ca 0.09 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 1r1y h LYS 7 Cb 0.17 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 1r1y h LYS 7 CO -0.20 0.85 0.10 1.15 -0.57 0.00 0.00 179.45 180.78 1r1y h THR 8 N 1.16 1.19 -0.51 -0.16 2.02 -0.83 0.31 112.91 116.09 1r1y h THR 8 Ca 0.29 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.88 1r1y h THR 8 Cb 0.03 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 1r1y h THR 8 CO -0.05 0.20 0.33 0.78 0.37 0.00 0.00 175.52 177.15 1r1y h ASN 9 N 0.30 0.60 -0.15 4.18 -0.26 0.19 -1.61 115.58 118.85 1r1y h ASN 9 Ca 0.09 -0.04 -0.02 0.00 -0.56 0.00 0.00 56.30 55.78 1r1y h ASN 9 Cb 0.22 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.32 1r1y h ASN 9 CO -0.01 0.46 0.01 0.58 -1.06 0.00 0.00 177.43 177.41 1r1y h VAL 10 N 0.69 1.24 -0.95 2.81 2.07 -0.21 -1.90 116.25 120.01 1r1y h VAL 10 Ca 0.19 -0.79 0.02 0.00 0.82 0.00 0.00 66.70 66.93 1r1y h VAL 10 Cb -0.05 1.48 -0.05 0.00 -1.52 0.00 0.00 31.29 31.16 1r1y h VAL 10 CO -0.04 0.23 0.63 0.11 0.02 0.00 0.00 177.57 178.52 1r1y h LYS 11 N 0.00 1.22 -0.01 1.57 1.57 -0.80 0.50 116.57 120.63 1r1y h LYS 11 Ca 0.04 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1r1y h LYS 11 Cb 0.35 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 1r1y h LYS 11 CO 0.01 0.80 -0.01 0.00 -0.57 0.00 0.00 179.45 179.68 1r1y h ALA 12 N 1.42 0.01 -0.11 3.86 0.00 -1.23 -0.70 119.26 122.51 1r1y h ALA 12 Ca 0.36 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1r1y h ALA 12 Cb -0.10 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1r1y h ALA 12 CO -0.09 -0.21 0.05 0.00 0.00 0.00 0.00 179.25 179.00 1r1y h ALA 13 N 0.47 0.15 -0.13 0.00 0.00 -1.23 -2.46 119.26 116.05 1r1y h ALA 13 Ca 0.00 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 1r1y h ALA 13 Cb 0.55 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1r1y h ALA 13 CO 0.00 -0.29 -0.24 2.35 0.00 0.00 0.00 179.25 181.08 1r1y h TRP 14 N 0.05 0.24 -0.66 0.00 2.91 -0.98 -1.82 115.95 115.70 1r1y h TRP 14 Ca 0.04 -0.04 0.01 0.00 1.13 0.00 0.00 58.89 60.03 1r1y h TRP 14 Cb 0.13 -0.06 -0.03 0.00 -0.51 0.00 0.00 29.16 28.68 1r1y h TRP 14 CO -0.03 0.45 0.43 0.78 -1.03 0.00 0.00 178.44 179.05 1r1y h GLY 15 N 0.92 0.91 2.00 2.65 0.00 -0.81 -0.67 103.07 108.08 1r1y h GLY 15 Ca 0.03 -0.33 -0.04 0.00 0.00 0.00 0.00 47.33 46.99 1r1y h GLY 15 CO 0.04 0.32 -0.18 1.70 0.00 0.00 0.00 176.54 178.41 1r1y h LYS 16 N 0.86 0.00 0.21 4.80 1.63 -0.87 -2.62 116.57 120.58 1r1y h LYS 16 Ca 0.25 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 60.04 1r1y h LYS 16 Cb -0.06 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.57 1r1y h LYS 16 CO -0.06 0.18 -0.10 0.28 -3.45 0.00 0.00 179.45 176.30 1r1y h VAL 17 N 0.00 0.83 0.00 2.00 2.07 -1.07 -3.45 116.25 116.63 1r1y h VAL 17 Ca -0.00 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1r1y h VAL 17 Cb 0.39 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1r1y h VAL 17 CO 0.02 0.05 0.00 0.61 0.02 0.00 0.00 177.57 178.27 1r1y n GLY 18 N -0.95 2.78 0.21 2.17 0.00 -0.99 -1.26 105.19 107.16 1r1y n GLY 18 Ca -0.09 0.32 0.15 0.00 0.00 0.00 0.00 46.02 46.40 1r1y n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1r1y h ALA 19 N -0.50 1.00 -0.07 4.61 0.00 -1.89 -3.04 119.26 119.37 1r1y h ALA 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1r1y h ALA 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1r1y h ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.97 1r1y n HIS 20 N -2.66 0.15 -0.08 0.00 8.25 -0.39 -4.47 115.22 116.02 1r1y n HIS 20 Ca 0.01 -0.06 -0.06 0.00 -0.26 0.00 0.00 57.72 57.35 1r1y n HIS 20 Cb 0.22 -0.06 -0.04 0.00 1.12 0.00 0.00 29.99 31.22 1r1y n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1r1y h ALA 21 N 2.74 -0.46 0.00 -1.41 0.00 -1.72 0.15 119.26 118.56 1r1y h ALA 21 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1r1y h ALA 21 Cb 0.34 0.94 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1r1y h ALA 21 CO 0.02 -0.59 -0.19 0.78 0.00 0.00 0.00 179.25 179.28 1r1y h GLY 22 N -0.14 0.00 0.49 0.00 0.00 -1.82 0.83 103.07 102.42 1r1y h GLY 22 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 1r1y h GLY 22 CO -0.28 0.00 -0.05 -2.09 0.00 0.00 0.00 176.54 174.11 1r1y h GLU 23 N 0.00 0.08 -0.51 4.80 4.81 -1.71 -1.51 114.58 120.55 1r1y h GLU 23 Ca -0.00 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.07 1r1y h GLU 23 Cb 0.36 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 1r1y h GLU 23 CO 0.02 0.64 -0.11 1.88 -0.73 0.00 0.00 179.01 180.71 1r1y h TYR 24 N -0.47 1.06 -0.34 0.92 0.99 -0.53 -1.36 116.97 117.24 1r1y h TYR 24 Ca 0.00 -0.21 -0.01 0.00 2.00 0.00 0.00 58.73 60.51 1r1y h TYR 24 Cb 0.64 -0.26 -0.02 0.00 1.00 0.00 0.00 36.73 38.09 1r1y h TYR 24 CO 0.12 1.00 0.18 0.78 -0.00 0.00 0.00 178.16 180.25 1r1y h GLY 25 N 0.95 0.51 1.08 3.88 0.00 -0.88 0.29 103.07 108.91 1r1y h GLY 25 Ca 0.13 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 47.17 1r1y h GLY 25 CO 0.05 0.23 0.27 0.00 0.00 0.00 0.00 176.54 177.09 1r1y h ALA 26 N 1.05 1.04 -0.56 3.60 0.00 -1.09 -1.70 119.26 121.60 1r1y h ALA 26 Ca 0.12 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 1r1y h ALA 26 Cb 0.07 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1r1y h ALA 26 CO -0.02 0.66 -0.02 1.49 0.00 0.00 0.00 179.25 181.36 1r1y h GLU 27 N 1.13 0.98 -0.69 0.00 4.81 -0.95 -0.05 114.58 119.81 1r1y h GLU 27 Ca 0.25 -0.31 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 1r1y h GLU 27 Cb 0.26 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 1r1y h GLU 27 CO -0.01 0.98 0.28 0.00 -0.73 0.00 0.00 179.01 179.52 1r1y h ALA 28 N 1.07 0.89 -0.29 2.92 0.00 -0.57 0.33 119.26 123.61 1r1y h ALA 28 Ca 0.16 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1r1y h ALA 28 Cb 0.56 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1r1y h ALA 28 CO 0.03 0.51 0.09 -0.07 0.00 0.00 0.00 179.25 179.81 1r1y h LEU 29 N 0.98 0.42 -0.66 0.00 3.38 -0.95 -0.89 115.31 117.58 1r1y h LEU 29 Ca 0.23 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1r1y h LEU 29 Cb 0.20 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1r1y h LEU 29 CO -0.02 0.52 0.43 -0.08 0.09 0.00 0.00 178.44 179.38 1r1y h GLU 30 N 0.30 0.88 -0.97 1.13 4.81 -0.81 -0.40 114.58 119.53 1r1y h GLU 30 Ca 0.09 -0.06 0.04 0.00 -0.13 0.00 0.00 59.36 59.30 1r1y h GLU 30 Cb 0.25 -0.19 -0.06 0.00 0.63 0.00 0.00 28.75 29.38 1r1y h GLU 30 CO -0.00 0.59 0.64 0.00 -0.73 0.00 0.00 179.01 179.51 1r1y h ARG 31 N 0.90 1.18 0.07 1.92 3.08 -0.61 -1.44 114.38 119.49 1r1y h ARG 31 Ca 0.24 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 1r1y h ARG 31 Cb -0.09 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 29.70 1r1y h ARG 31 CO -0.05 0.78 -0.03 1.98 -1.07 0.00 0.00 179.97 181.58 1r1y h MET 32 N 1.22 -0.09 -0.60 0.04 4.05 -0.33 -0.52 114.93 118.70 1r1y h MET 32 Ca 0.39 0.01 0.04 0.00 -0.28 0.00 0.00 59.70 59.85 1r1y h MET 32 Cb 0.01 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.80 1r1y h MET 32 CO -0.12 0.23 0.40 0.74 0.23 0.00 0.00 176.91 178.39 1r1y h PHE 33 N -0.43 0.66 0.04 1.39 0.04 -0.87 0.37 116.94 118.15 1r1y h PHE 33 Ca -0.01 0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.68 1r1y h PHE 33 Cb 0.37 -0.22 0.01 0.00 2.20 0.00 0.00 35.95 38.31 1r1y h PHE 33 CO 0.03 0.38 -0.39 -0.07 -0.60 0.00 0.00 178.31 177.66 1r1y h LEU 34 N 0.67 0.27 -0.47 1.54 3.38 -1.23 -3.21 115.31 116.26 1r1y h LEU 34 Ca 0.24 -0.89 -0.17 0.00 0.09 0.00 0.00 57.88 57.15 1r1y h LEU 34 Cb 0.13 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1r1y h LEU 34 CO -0.07 1.13 -0.70 0.28 0.09 0.00 0.00 178.44 179.17 1r1y h SER 35 N -0.56 0.39 -2.79 -0.43 0.02 -0.96 -3.38 113.55 105.84 1r1y h SER 35 Ca -0.06 -0.25 -0.61 0.00 -0.84 0.00 0.00 61.79 60.03 1r1y h SER 35 Cb 1.23 -0.11 -0.40 0.00 0.14 0.00 0.00 62.40 63.25 1r1y h SER 35 CO 0.07 0.97 -0.76 -0.36 -1.14 0.00 0.00 176.83 175.61 1r1y s PHE 36 N -3.62 2.37 0.45 3.45 0.40 0.13 -4.99 117.98 116.18 1r1y s PHE 36 Ca -0.05 -2.84 0.20 0.00 -0.60 0.00 0.00 56.93 53.65 1r1y s PHE 36 Cb 0.11 -1.86 1.17 0.00 0.51 0.00 0.00 43.02 42.94 1r1y s PHE 36 CO 0.82 -0.68 1.89 -1.35 0.70 0.00 0.00 175.22 176.60 1r1y h PRO 37 N 5.58 0.30 -0.04 0.24 0.11 -1.71 -1.64 132.00 134.85 1r1y h PRO 37 Ca 0.19 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 66.29 1r1y h PRO 37 Cb 0.83 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.87 1r1y h PRO 37 CO 0.55 0.20 0.04 1.79 -0.21 0.00 0.00 178.00 180.37 1r1y h THR 38 N 0.31 0.46 0.00 -1.15 1.35 -1.91 -0.46 112.91 111.51 1r1y h THR 38 Ca 0.42 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.28 1r1y h THR 38 Cb 1.16 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 1r1y h THR 38 CO -0.12 0.00 0.00 0.71 -0.25 0.00 0.00 175.52 175.86 1r1y h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.62 -2.05 112.91 117.41 1r1y h THR 39 Ca 0.02 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 1r1y h THR 39 Cb 0.11 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 1r1y h THR 39 CO -0.00 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.56 1r1y n LYS 40 N -2.90 0.13 0.18 4.72 5.02 -0.18 -2.72 118.16 122.41 1r1y n LYS 40 Ca 0.00 0.37 0.14 0.00 -2.02 0.00 0.00 58.31 56.80 1r1y n LYS 40 Cb 0.24 -1.75 0.62 0.00 -0.02 0.00 0.00 35.03 34.12 1r1y n LYS 40 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1r1y h THR 41 N 0.00 0.00 -0.00 -0.18 1.35 -1.54 -0.99 112.91 111.55 1r1y h THR 41 Ca 0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 1r1y h THR 41 Cb 0.32 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 67.69 1r1y h THR 41 CO 0.00 0.00 -0.40 -1.22 -0.25 0.00 0.00 175.52 173.65 1r1y n TYR 42 N -2.48 0.00 -2.62 4.73 4.01 -1.10 -4.11 117.16 115.59 1r1y n TYR 42 Ca 0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.54 1r1y n TYR 42 Cb 0.18 -0.17 0.01 0.00 -0.31 0.00 0.00 39.34 39.04 1r1y n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1r1y n PHE 43 N -1.06 2.47 0.24 -0.72 3.01 -0.38 -4.93 117.46 116.09 1r1y n PHE 43 Ca 0.09 -3.11 0.08 0.00 1.01 0.00 0.00 57.45 55.52 1r1y n PHE 43 Cb 0.34 -0.24 0.62 0.00 -0.01 0.00 0.00 39.48 40.20 1r1y n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1r1y h PRO 44 N 2.79 0.04 -0.31 -1.08 0.13 -1.70 -2.68 132.00 129.19 1r1y h PRO 44 Ca 0.13 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1r1y h PRO 44 Cb 0.98 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1r1y h PRO 44 CO 0.70 0.03 0.00 0.72 -0.23 0.00 0.00 178.00 179.22 1r1y n HIS 45 N -4.53 0.80 -3.15 1.56 8.25 -1.26 -5.00 115.22 111.89 1r1y n HIS 45 Ca -0.02 -0.73 -0.34 0.00 -0.26 0.00 0.00 57.72 56.37 1r1y n HIS 45 Cb 0.09 -0.21 -0.06 0.00 1.12 0.00 0.00 29.99 30.93 1r1y n HIS 45 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1r1y s PHE 46 N -2.11 3.48 -0.77 4.41 0.08 -1.01 -5.00 117.98 117.06 1r1y s PHE 46 Ca 0.35 1.26 -0.24 0.00 0.12 0.00 0.00 56.93 58.42 1r1y s PHE 46 Cb 0.26 -2.55 0.05 0.00 -0.57 0.00 0.00 43.02 40.22 1r1y s PHE 46 CO 0.12 0.20 1.19 0.34 -0.10 0.00 0.00 175.22 176.98 1r1y s ASP 47 N -2.03 6.26 -0.07 1.36 2.15 -1.26 -4.84 116.67 118.24 1r1y s ASP 47 Ca 0.49 -0.91 0.13 0.00 0.43 0.00 0.00 52.55 52.69 1r1y s ASP 47 Cb -0.13 -2.50 0.49 0.00 -0.30 0.00 0.00 42.92 40.48 1r1y s ASP 47 CO 0.19 -1.60 1.36 0.18 -0.17 0.00 0.00 175.17 175.13 1r1y n LEU 48 N 8.53 3.32 -4.75 -1.34 4.77 -1.26 -4.34 117.00 121.93 1r1y n LEU 48 Ca 0.07 -1.67 -0.36 0.00 -0.03 0.00 0.00 56.01 54.02 1r1y n LEU 48 Cb 0.48 -0.46 0.05 0.00 -2.33 0.00 0.00 43.42 41.16 1r1y n LEU 48 CO 0.66 0.60 0.85 -0.94 -1.33 0.00 0.00 177.39 177.23 1r1y s SER 49 N -0.80 4.94 0.11 -1.43 1.04 -1.26 -4.89 113.70 111.41 1r1y s SER 49 Ca 0.35 2.42 -0.36 0.00 0.48 0.00 0.00 55.95 58.84 1r1y s SER 49 Cb 0.22 -2.60 -0.16 0.00 0.10 0.00 0.00 66.02 63.58 1r1y s SER 49 CO 0.18 -1.76 1.43 1.57 0.98 0.00 0.00 173.24 175.63 1r1y n HIS 50 N -1.83 1.79 -1.07 5.02 -0.00 -1.26 -1.12 115.22 116.75 1r1y n HIS 50 Ca 0.14 0.50 -0.03 0.00 0.46 0.00 0.00 57.72 58.80 1r1y n HIS 50 Cb 0.49 -2.41 -0.01 0.00 -0.12 0.00 0.00 29.99 27.94 1r1y n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1r1y n GLY 51 N 2.87 0.52 3.76 1.57 0.00 -1.26 -4.99 105.19 107.66 1r1y n GLY 51 Ca 0.18 -0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 1r1y n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1r1y s SER 52 N -2.27 5.93 0.42 1.61 1.04 -0.28 -4.88 113.70 115.27 1r1y s SER 52 Ca 0.00 2.64 0.09 0.00 0.48 0.00 0.00 55.95 59.16 1r1y s SER 52 Cb 0.00 -2.63 0.88 0.00 0.10 0.00 0.00 66.02 64.37 1r1y s SER 52 CO 0.00 -1.11 2.02 0.00 0.98 0.00 0.00 173.24 175.13 1r1y h ALA 53 N 2.15 1.67 -0.57 5.32 0.00 -1.90 -1.77 119.26 124.17 1r1y h ALA 53 Ca -0.50 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.27 1r1y h ALA 53 Cb 1.26 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1r1y h ALA 53 CO 0.60 0.26 0.14 1.96 0.00 0.00 0.00 179.25 182.22 1r1y h GLN 54 N 0.38 0.91 -0.08 0.00 4.20 -1.90 0.90 115.11 119.52 1r1y h GLN 54 Ca 0.10 -0.22 -0.20 0.00 0.06 0.00 0.00 58.65 58.40 1r1y h GLN 54 Cb 0.09 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 1r1y h GLN 54 CO -0.01 0.84 -0.77 0.28 -0.67 0.00 0.00 178.83 178.50 1r1y h VAL 55 N 0.81 1.37 -0.59 -0.54 2.07 -1.69 -1.67 116.25 116.01 1r1y h VAL 55 Ca 0.18 -2.16 -0.04 0.00 0.82 0.00 0.00 66.70 65.50 1r1y h VAL 55 Cb 0.34 2.13 -0.03 0.00 -1.52 0.00 0.00 31.29 32.22 1r1y h VAL 55 CO 0.00 0.65 0.22 0.50 0.02 0.00 0.00 177.57 178.96 1r1y h LYS 56 N 0.31 0.90 -0.40 1.57 3.11 -1.13 0.42 116.57 121.35 1r1y h LYS 56 Ca -0.04 -0.18 -0.09 0.00 -2.81 0.00 0.00 60.65 57.53 1r1y h LYS 56 Cb 1.36 -0.14 -0.01 0.00 -1.00 0.00 0.00 32.23 32.44 1r1y h LYS 56 CO 0.14 0.78 -0.11 0.78 -2.81 0.00 0.00 179.45 178.23 1r1y h GLY 57 N 0.83 0.84 1.58 5.01 0.00 -0.78 -1.97 103.07 108.57 1r1y h GLY 57 Ca 0.19 -0.70 -0.17 0.00 0.00 0.00 0.00 47.33 46.66 1r1y h GLY 57 CO -0.01 0.64 -0.63 0.84 0.00 0.00 0.00 176.54 177.38 1r1y h HIS 58 N 0.58 0.55 -0.72 5.60 -0.00 -1.12 -2.26 115.15 117.79 1r1y h HIS 58 Ca 0.10 -0.22 -0.03 0.00 -0.00 0.00 0.00 60.37 60.22 1r1y h HIS 58 Cb 0.64 -0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 27.92 1r1y h HIS 58 CO 0.05 0.94 0.35 0.78 -0.00 0.00 0.00 177.93 180.05 1r1y h GLY 59 N 1.23 1.10 1.43 5.26 0.00 -0.05 -1.00 103.07 111.04 1r1y h GLY 59 Ca -0.01 -0.53 -0.14 0.00 0.00 0.00 0.00 47.33 46.65 1r1y h GLY 59 CO 0.11 0.50 -0.39 1.70 0.00 0.00 0.00 176.54 178.47 1r1y h LYS 60 N 1.02 0.63 -0.31 4.80 3.64 -1.15 -1.15 116.57 124.06 1r1y h LYS 60 Ca 0.25 -0.32 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 1r1y h LYS 60 Cb 0.10 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 1r1y h LYS 60 CO -0.03 0.92 -0.01 0.87 -2.27 0.00 0.00 179.45 178.92 1r1y h LYS 61 N 0.52 0.55 -0.22 1.90 1.57 -0.87 -0.77 116.57 119.27 1r1y h LYS 61 Ca 0.05 -0.18 0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1r1y h LYS 61 Cb 0.90 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.15 1r1y h LYS 61 CO 0.08 0.70 0.11 0.28 -0.57 0.00 0.00 179.45 180.05 1r1y h VAL 62 N 0.34 1.00 -0.66 0.50 2.07 -1.01 -0.94 116.25 117.56 1r1y h VAL 62 Ca 0.09 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.45 1r1y h VAL 62 Cb 0.46 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 1r1y h VAL 62 CO 0.02 0.04 0.14 0.00 0.02 0.00 0.00 177.57 177.79 1r1y h ALA 63 N 1.11 0.88 -0.28 1.67 0.00 -1.17 -1.75 119.26 119.72 1r1y h ALA 63 Ca 0.09 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1r1y h ALA 63 Cb 0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1r1y h ALA 63 CO -0.06 0.62 -0.01 -0.44 0.00 0.00 0.00 179.25 179.36 1r1y h ASP 64 N 1.00 0.39 -0.27 0.00 3.32 -0.88 0.14 116.42 120.12 1r1y h ASP 64 Ca 0.21 -0.07 -0.11 0.00 0.02 0.00 0.00 57.03 57.08 1r1y h ASP 64 Cb 0.40 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 1r1y h ASP 64 CO 0.01 0.46 -0.22 0.00 -1.72 0.00 0.00 179.24 177.77 1r1y h ALA 65 N 1.59 0.90 -0.52 3.45 0.00 -0.72 -0.97 119.26 122.99 1r1y h ALA 65 Ca 0.09 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 54.53 1r1y h ALA 65 Cb 0.29 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1r1y h ALA 65 CO 0.01 0.62 -0.09 -0.07 0.00 0.00 0.00 179.25 179.73 1r1y h LEU 66 N 0.65 0.95 -1.02 0.00 3.38 -0.36 -1.02 115.31 117.89 1r1y h LEU 66 Ca 0.09 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 1r1y h LEU 66 Cb 0.72 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 1r1y h LEU 66 CO 0.06 1.06 0.23 0.74 0.09 0.00 0.00 178.44 180.62 1r1y h THR 67 N 0.86 1.23 -0.44 0.22 2.02 -0.44 0.37 112.91 116.73 1r1y h THR 67 Ca 0.14 -0.73 -0.09 0.00 0.77 0.00 0.00 66.41 66.50 1r1y h THR 67 Cb 0.63 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 1r1y h THR 67 CO 0.04 0.29 -0.08 -1.13 0.37 0.00 0.00 175.52 175.01 1r1y h ASN 68 N 0.91 0.83 -0.60 4.18 -1.24 -0.78 -1.41 115.58 117.47 1r1y h ASN 68 Ca 0.21 -0.35 -0.04 0.00 0.71 0.00 0.00 56.30 56.83 1r1y h ASN 68 Cb 0.21 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 39.00 1r1y h ASN 68 CO -0.02 0.99 0.22 0.00 -1.29 0.00 0.00 177.43 177.33 1r1y h ALA 69 N 0.87 0.78 -0.61 1.57 0.00 -0.62 -1.34 119.26 119.92 1r1y h ALA 69 Ca 0.11 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1r1y h ALA 69 Cb 0.61 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1r1y h ALA 69 CO 0.04 0.42 0.15 0.28 0.00 0.00 0.00 179.25 180.14 1r1y h VAL 70 N 0.84 1.25 0.00 0.00 2.07 -0.80 0.16 116.25 119.77 1r1y h VAL 70 Ca 0.20 -0.91 -0.01 0.00 0.82 0.00 0.00 66.70 66.81 1r1y h VAL 70 Cb 0.24 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1r1y h VAL 70 CO -0.01 0.34 -0.03 0.00 0.02 0.00 0.00 177.57 177.89 1r1y h ALA 71 N 1.04 1.08 -0.70 1.67 0.00 -0.92 -2.85 119.26 118.57 1r1y h ALA 71 Ca 0.19 -0.03 -0.41 0.00 0.00 0.00 0.00 54.91 54.67 1r1y h ALA 71 Cb 0.35 -0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.72 1r1y h ALA 71 CO 0.00 0.04 -0.97 0.72 0.00 0.00 0.00 179.25 179.04 1r1y n HIS 72 N -3.24 2.04 0.24 0.00 8.25 -0.53 -4.85 115.22 117.13 1r1y n HIS 72 Ca -0.01 -2.31 0.18 0.00 -0.26 0.00 0.00 57.72 55.31 1r1y n HIS 72 Cb 0.19 -0.28 0.89 0.00 1.12 0.00 0.00 29.99 31.91 1r1y n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1r1y h VAL 73 N 3.73 0.34 0.00 1.59 3.04 -0.48 0.23 116.25 124.70 1r1y h VAL 73 Ca 0.11 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.76 1r1y h VAL 73 Cb 1.34 0.84 -0.01 0.00 -2.01 0.00 0.00 31.29 31.46 1r1y h VAL 73 CO 0.50 0.00 -0.20 0.44 -1.01 0.00 0.00 177.57 177.30 1r1y h ASP 74 N 0.00 0.00 -1.37 3.17 3.32 -1.88 -3.37 116.42 116.28 1r1y h ASP 74 Ca 0.06 0.00 -0.45 0.00 0.02 0.00 0.00 57.03 56.66 1r1y h ASP 74 Cb 0.44 0.00 -0.31 0.00 0.22 0.00 0.00 39.33 39.68 1r1y h ASP 74 CO -0.00 0.20 -0.92 -0.67 -1.72 0.00 0.00 179.24 176.13 1r1y n ASP 75 N -3.23 -0.78 -0.10 6.45 4.64 0.04 -5.00 116.55 118.56 1r1y n ASP 75 Ca 0.02 -2.89 -0.13 0.00 -1.38 0.00 0.00 54.79 50.41 1r1y n ASP 75 Cb 0.51 0.14 -0.04 0.00 -1.04 0.00 0.00 41.12 40.69 1r1y n ASP 75 CO 0.00 0.00 0.00 0.24 -0.82 0.00 0.00 177.20 176.62 1r1y h MET 76 N 3.98 0.72 -0.64 -0.67 2.86 -1.66 -2.51 114.93 117.01 1r1y h MET 76 Ca 0.00 -0.35 0.13 0.00 -2.06 0.00 0.00 59.70 57.43 1r1y h MET 76 Cb 0.93 -0.00 -0.10 0.00 0.06 0.00 0.00 31.60 32.48 1r1y h MET 76 CO 0.42 0.96 0.06 -1.35 1.06 0.00 0.00 176.91 178.06 1r1y h PRO 77 N 0.48 0.17 -0.22 -0.22 0.11 -1.94 0.21 132.00 130.59 1r1y h PRO 77 Ca 0.06 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.10 1r1y h PRO 77 Cb 0.79 -0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.86 1r1y h PRO 77 CO 0.06 0.11 -0.12 -0.91 -0.21 0.00 0.00 178.00 176.94 1r1y h ASN 78 N 0.18 0.48 -0.01 -2.05 2.35 -1.96 -1.81 115.58 112.76 1r1y h ASN 78 Ca 0.34 -0.42 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 1r1y h ASN 78 Cb 0.56 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.79 1r1y h ASN 78 CO -0.50 0.79 -0.01 0.00 -1.65 0.00 0.00 177.43 176.05 1r1y h ALA 79 N 0.70 1.86 -0.34 -0.83 0.00 -0.86 -2.66 119.26 117.13 1r1y h ALA 79 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1r1y h ALA 79 Cb 0.62 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1r1y h ALA 79 CO 0.03 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.68 1r1y n LEU 80 N -4.46 4.08 -0.07 0.00 4.77 0.66 -4.76 117.00 117.21 1r1y n LEU 80 Ca -0.02 -2.82 -0.09 0.00 -0.03 0.00 0.00 56.01 53.05 1r1y n LEU 80 Cb 0.13 -0.52 -0.02 0.00 -2.33 0.00 0.00 43.42 40.68 1r1y n LEU 80 CO 0.35 0.69 0.65 -1.28 -1.33 0.00 0.00 177.39 176.47 1r1y h SER 81 N 2.31 -1.00 -0.86 -1.43 0.87 -0.95 0.65 113.55 113.13 1r1y h SER 81 Ca 0.00 0.17 0.04 0.00 -1.23 0.00 0.00 61.79 60.76 1r1y h SER 81 Cb 1.42 0.46 -0.05 0.00 -0.44 0.00 0.00 62.40 63.79 1r1y h SER 81 CO 0.23 -0.32 0.55 0.00 -0.53 0.00 0.00 176.83 176.76 1r1y h ALA 82 N 0.67 1.14 -0.42 6.23 0.00 -1.86 -1.40 119.26 123.62 1r1y h ALA 82 Ca 0.14 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1r1y h ALA 82 Cb 0.53 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1r1y h ALA 82 CO -0.46 0.39 -0.18 1.25 0.00 0.00 0.00 179.25 180.25 1r1y h LEU 83 N 1.07 0.81 -0.92 0.00 5.85 -1.64 -1.12 115.31 119.37 1r1y h LEU 83 Ca 0.35 -0.28 -0.11 0.00 0.84 0.00 0.00 57.88 58.68 1r1y h LEU 83 Cb 0.02 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 1r1y h LEU 83 CO -0.12 0.98 -0.52 0.77 -0.34 0.00 0.00 178.44 179.21 1r1y h SER 84 N 0.71 0.06 0.06 1.25 4.64 -0.45 -1.37 113.55 118.45 1r1y h SER 84 Ca 0.11 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1r1y h SER 84 Cb 0.69 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1r1y h SER 84 CO 0.05 0.57 -0.03 0.44 -0.87 0.00 0.00 176.83 177.00 1r1y h ASP 85 N 0.05 -0.06 0.19 4.97 3.32 -0.70 -1.66 116.42 122.53 1r1y h ASP 85 Ca -0.00 -0.22 0.01 0.00 0.02 0.00 0.00 57.03 56.84 1r1y h ASP 85 Cb 0.93 0.02 -0.03 0.00 0.22 0.00 0.00 39.33 40.47 1r1y h ASP 85 CO 0.07 0.19 -0.29 0.25 -1.72 0.00 0.00 179.24 177.74 1r1y h LEU 86 N -0.32 -0.81 -1.48 1.55 5.85 -1.04 0.22 115.31 119.27 1r1y h LEU 86 Ca -0.01 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 1r1y h LEU 86 Cb 0.28 0.30 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1r1y h LEU 86 CO 0.01 -0.40 -0.07 0.45 -0.34 0.00 0.00 178.44 178.10 1r1y h HIS 87 N -0.55 0.25 0.02 1.25 3.86 -1.28 -0.15 115.15 118.54 1r1y h HIS 87 Ca 0.01 -0.02 -0.11 0.00 -1.16 0.00 0.00 60.37 59.10 1r1y h HIS 87 Cb 0.55 -0.07 0.01 0.00 1.06 0.00 0.00 27.41 28.95 1r1y h HIS 87 CO -0.23 0.33 -0.43 0.00 0.86 0.00 0.00 177.93 178.46 1r1y h ALA 88 N 1.69 0.02 0.00 2.45 0.00 -0.92 0.01 119.26 122.52 1r1y h ALA 88 Ca 0.05 -0.54 -0.28 0.00 0.00 0.00 0.00 54.91 54.15 1r1y h ALA 88 Cb 0.28 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 1r1y h ALA 88 CO 0.01 0.21 -1.86 0.72 0.00 0.00 0.00 179.25 178.33 1r1y n HIS 89 N -4.36 0.67 -0.01 0.00 8.25 0.74 -4.41 115.22 116.10 1r1y n HIS 89 Ca -0.11 0.24 -0.01 0.00 -0.26 0.00 0.00 57.72 57.58 1r1y n HIS 89 Cb 0.61 -1.09 -0.00 0.00 1.12 0.00 0.00 29.99 30.63 1r1y n HIS 89 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1r1y n LYS 90 N -2.90 0.04 -0.30 -0.41 4.76 -0.13 -4.81 118.16 114.42 1r1y n LYS 90 Ca -0.20 0.02 -0.04 0.00 -2.87 0.00 0.00 58.31 55.23 1r1y n LYS 90 Cb 1.02 -0.46 0.11 0.00 -1.84 0.00 0.00 35.03 33.86 1r1y n LYS 90 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1r1y h LEU 91 N -0.08 1.07 -2.67 -0.35 3.38 -1.55 -3.47 115.31 111.64 1r1y h LEU 91 Ca 0.00 -0.11 -0.52 0.00 0.09 0.00 0.00 57.88 57.35 1r1y h LEU 91 Cb 0.08 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1r1y h LEU 91 CO 0.00 0.88 -0.94 0.54 0.09 0.00 0.00 178.44 179.01 1r1y n ARG 92 N -4.32 -1.83 -2.60 1.13 1.74 -0.01 -4.91 116.66 105.85 1r1y n ARG 92 Ca 0.09 0.31 -0.42 0.00 -0.77 0.00 0.00 57.85 57.06 1r1y n ARG 92 Cb 0.12 -3.91 -0.03 0.00 -1.02 0.00 0.00 32.46 27.62 1r1y n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1r1y s VAL 93 N -3.80 4.58 0.33 1.55 1.01 -1.25 -4.98 120.40 117.83 1r1y s VAL 93 Ca 0.22 1.87 -0.29 0.00 0.00 0.00 0.00 61.98 63.78 1r1y s VAL 93 Cb -0.10 -4.20 -0.12 0.00 0.00 0.00 0.00 36.38 31.97 1r1y s VAL 93 CO 0.91 0.03 1.49 0.00 0.00 0.00 0.00 175.10 177.53 1r1y n ALA 94 N 4.82 2.15 -0.37 5.51 0.00 -1.26 -4.85 120.51 126.51 1r1y n ALA 94 Ca 0.09 0.36 0.30 0.00 0.00 0.00 0.00 53.44 54.19 1r1y n ALA 94 Cb 0.48 -2.40 0.59 0.00 0.00 0.00 0.00 19.45 18.13 1r1y n ALA 94 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1r1y h PRO 95 N 3.64 0.23 -0.01 0.00 0.11 -2.00 -2.15 132.00 131.82 1r1y h PRO 95 Ca -0.48 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 1r1y h PRO 95 Cb 1.25 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1r1y h PRO 95 CO 0.70 0.15 0.00 -0.24 -0.21 0.00 0.00 178.00 178.40 1r1y h VAL 96 N 0.23 1.00 0.00 3.15 3.04 -2.03 -2.39 116.25 119.26 1r1y h VAL 96 Ca 0.68 -0.01 -0.01 0.00 -1.01 0.00 0.00 66.70 66.34 1r1y h VAL 96 Cb 2.01 0.99 -0.00 0.00 -2.01 0.00 0.00 31.29 32.28 1r1y h VAL 96 CO -0.30 0.00 -0.06 0.78 -1.01 0.00 0.00 177.57 176.98 1r1y h ASN 97 N 0.01 0.00 0.24 3.17 2.35 -1.74 -1.93 115.58 117.68 1r1y h ASN 97 Ca 0.00 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 1r1y h ASN 97 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1r1y h ASN 97 CO -0.00 0.06 -0.36 -0.26 -1.65 0.00 0.00 177.43 175.22 1r1y h PHE 98 N 0.00 0.21 -0.22 1.19 0.04 -1.62 -1.71 116.94 114.83 1r1y h PHE 98 Ca -0.00 -0.05 -0.11 0.00 2.80 0.00 0.00 57.97 60.60 1r1y h PHE 98 Cb 0.29 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 1r1y h PHE 98 CO 0.00 0.53 -0.35 0.87 -0.60 0.00 0.00 178.31 178.76 1r1y h LYS 99 N 0.16 0.47 -0.04 1.51 1.57 -1.49 -0.21 116.57 118.54 1r1y h LYS 99 Ca 0.02 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.57 1r1y h LYS 99 Cb 0.72 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 1r1y h LYS 99 CO 0.05 0.76 -0.03 -0.07 -0.57 0.00 0.00 179.45 179.60 1r1y h LEU 100 N 0.40 0.10 -0.82 2.94 3.38 -1.39 -1.40 115.31 118.52 1r1y h LEU 100 Ca 0.04 -0.44 -0.03 0.00 0.09 0.00 0.00 57.88 57.54 1r1y h LEU 100 Cb 0.80 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.49 1r1y h LEU 100 CO 0.07 0.52 0.41 0.25 0.09 0.00 0.00 178.44 179.78 1r1y h LEU 101 N -0.32 1.05 -0.95 1.67 6.46 -1.31 -2.14 115.31 119.78 1r1y h LEU 101 Ca 0.01 -0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.63 1r1y h LEU 101 Cb 0.49 -0.27 -0.04 0.00 -0.73 0.00 0.00 40.66 40.11 1r1y h LEU 101 CO 0.01 0.88 0.51 0.28 -0.62 0.00 0.00 178.44 179.49 1r1y h SER 102 N 1.15 1.11 -0.52 1.25 0.02 -0.94 0.06 113.55 115.68 1r1y h SER 102 Ca 0.28 -0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 61.08 1r1y h SER 102 Cb 0.09 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 1r1y h SER 102 CO -0.04 0.88 0.06 -0.74 -1.14 0.00 0.00 176.83 175.85 1r1y h HIS 103 N 1.25 0.94 0.00 3.45 -0.00 -0.99 -1.23 115.15 118.57 1r1y h HIS 103 Ca 0.32 -0.14 -0.09 0.00 -0.00 0.00 0.00 60.37 60.46 1r1y h HIS 103 Cb 0.00 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.15 1r1y h HIS 103 CO 0.01 0.86 -0.43 0.00 -0.00 0.00 0.00 177.93 178.37 1r1y h LEU 105 N 0.00 0.75 -0.56 0.00 3.38 -0.75 0.79 115.31 118.92 1r1y h LEU 105 Ca -0.00 -0.46 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 1r1y h LEU 105 Cb 0.76 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1r1y h LEU 105 CO 0.06 1.05 0.32 -0.07 0.09 0.00 0.00 178.44 179.89 1r1y h LEU 106 N 0.46 0.69 -0.65 1.67 3.38 -0.83 0.86 115.31 120.89 1r1y h LEU 106 Ca 0.05 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1r1y h LEU 106 Cb 0.82 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 1r1y h LEU 106 CO 0.07 0.57 0.28 0.58 0.09 0.00 0.00 178.44 180.03 1r1y h VAL 107 N 0.75 1.23 -0.08 1.22 2.07 -0.95 0.41 116.25 120.91 1r1y h VAL 107 Ca 0.20 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1r1y h VAL 107 Cb 0.02 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1r1y h VAL 107 CO -0.03 0.28 0.05 0.74 0.02 0.00 0.00 177.57 178.62 1r1y h THR 108 N 0.91 1.03 -0.68 2.57 2.02 -0.28 -0.46 112.91 118.00 1r1y h THR 108 Ca 0.22 -0.06 -0.04 0.00 0.77 0.00 0.00 66.41 67.30 1r1y h THR 108 Cb 0.17 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 67.47 1r1y h THR 108 CO -0.02 0.03 0.28 -0.07 0.37 0.00 0.00 175.52 176.10 1r1y h LEU 109 N 0.10 0.92 -0.38 2.58 3.38 -0.59 -2.41 115.31 118.90 1r1y h LEU 109 Ca 0.03 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.87 1r1y h LEU 109 Cb -0.00 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1r1y h LEU 109 CO -0.01 0.81 0.22 0.00 0.09 0.00 0.00 178.44 179.55 1r1y h ALA 110 N 1.32 0.49 0.00 1.53 0.00 -0.57 0.13 119.26 122.16 1r1y h ALA 110 Ca 0.23 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1r1y h ALA 110 Cb 0.18 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1r1y h ALA 110 CO -0.02 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.24 1r1y h ALA 111 N 1.08 1.00 0.00 0.00 0.00 -0.75 -3.23 119.26 117.36 1r1y h ALA 111 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1r1y h ALA 111 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1r1y h ALA 111 CO -0.02 0.00 -0.85 0.72 0.00 0.00 0.00 179.25 179.10 1r1y n HIS 112 N -3.03 0.00 -3.30 0.00 -0.00 -0.94 -4.77 115.22 103.18 1r1y n HIS 112 Ca 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.46 1r1y n HIS 112 Cb 0.26 -0.09 -0.07 0.00 -0.00 0.00 0.00 29.99 30.09 1r1y n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1r1y n LEU 113 N -1.47 3.52 -0.08 2.41 4.77 0.40 -4.94 117.00 121.62 1r1y n LEU 113 Ca 0.01 -5.42 -0.07 0.00 -0.03 0.00 0.00 56.01 50.50 1r1y n LEU 113 Cb 0.21 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 40.80 1r1y n LEU 113 CO 0.23 2.12 0.82 1.55 -1.33 0.00 0.00 177.39 180.78 1r1y h PRO 114 N 3.90 0.01 -0.30 3.23 0.13 -1.83 -2.12 132.00 135.01 1r1y h PRO 114 Ca 0.17 -0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.29 1r1y h PRO 114 Cb 0.66 -0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.77 1r1y h PRO 114 CO 0.79 0.01 0.15 0.00 -0.23 0.00 0.00 178.00 178.72 1r1y h ALA 115 N 1.29 0.39 0.00 -0.56 0.00 -1.95 -3.32 119.26 115.11 1r1y h ALA 115 Ca 0.14 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1r1y h ALA 115 Cb 0.21 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1r1y h ALA 115 CO -0.30 -0.05 -0.35 0.93 0.00 0.00 0.00 179.25 179.48 1r1y h GLU 116 N 0.36 0.00 -3.26 0.00 3.07 -1.94 -3.41 114.58 109.41 1r1y h GLU 116 Ca 0.11 0.00 -0.68 0.00 -0.50 0.00 0.00 59.36 58.28 1r1y h GLU 116 Cb 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 1r1y h GLU 116 CO -0.01 0.34 3.60 0.34 -1.40 0.00 0.00 179.01 181.88 1r1y n PHE 117 N -3.18 2.73 -1.74 4.33 7.35 -0.81 -4.75 117.46 121.38 1r1y n PHE 117 Ca 0.03 -3.05 -0.29 0.00 -0.76 0.00 0.00 57.45 53.37 1r1y n PHE 117 Cb 0.67 -2.48 0.10 0.00 0.35 0.00 0.00 39.48 38.12 1r1y n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1r1y s THR 118 N 2.29 2.34 0.25 -2.13 -4.23 -1.26 -4.77 115.64 108.13 1r1y s THR 118 Ca 0.63 0.11 -0.04 0.00 -1.18 0.00 0.00 61.69 61.21 1r1y s THR 118 Cb 0.17 -3.00 0.22 0.00 1.34 0.00 0.00 72.50 71.24 1r1y s THR 118 CO -0.07 -0.14 1.84 -0.65 -0.54 0.00 0.00 174.62 175.05 1r1y h PRO 119 N -1.15 0.89 -0.62 3.99 0.11 -1.99 0.34 132.00 133.57 1r1y h PRO 119 Ca -0.47 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.54 1r1y h PRO 119 Cb 1.31 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 32.19 1r1y h PRO 119 CO 0.64 0.59 0.23 0.00 -0.21 0.00 0.00 178.00 179.24 1r1y h ALA 120 N 1.44 0.81 -0.05 -0.75 0.00 -1.96 -1.02 119.26 117.73 1r1y h ALA 120 Ca 0.40 -0.19 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 1r1y h ALA 120 Cb 0.28 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1r1y h ALA 120 CO -0.21 0.45 -0.64 0.28 0.00 0.00 0.00 179.25 179.13 1r1y h VAL 121 N 0.88 1.41 -0.01 0.00 2.07 -1.76 -2.01 116.25 116.83 1r1y h VAL 121 Ca 0.20 -2.08 0.00 0.00 0.82 0.00 0.00 66.70 65.64 1r1y h VAL 121 Cb 0.24 2.08 -0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1r1y h VAL 121 CO -0.01 0.61 0.00 -0.74 0.02 0.00 0.00 177.57 177.45 1r1y h HIS 122 N 0.15 0.01 -0.55 1.57 6.17 -0.53 0.51 115.15 122.48 1r1y h HIS 122 Ca -0.01 0.00 0.01 0.00 0.71 0.00 0.00 60.37 61.08 1r1y h HIS 122 Cb 1.16 -0.00 -0.03 0.00 2.52 0.00 0.00 27.41 31.06 1r1y h HIS 122 CO 0.02 0.02 0.36 0.00 0.71 0.00 0.00 177.93 179.04 1r1y h ALA 123 N 0.99 0.69 -0.71 5.26 0.00 -0.97 -1.07 119.26 123.45 1r1y h ALA 123 Ca 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1r1y h ALA 123 Cb 0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1r1y h ALA 123 CO -0.00 0.13 0.22 0.77 0.00 0.00 0.00 179.25 180.37 1r1y h SER 124 N 0.74 1.03 -0.38 0.00 0.02 -1.03 -0.46 113.55 113.47 1r1y h SER 124 Ca 0.20 -0.21 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 1r1y h SER 124 Cb -0.08 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.18 1r1y h SER 124 CO -0.05 0.96 -0.20 -0.07 -1.14 0.00 0.00 176.83 176.34 1r1y h LEU 125 N 1.04 0.88 -0.35 5.07 3.38 -0.68 0.13 115.31 124.78 1r1y h LEU 125 Ca 0.23 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1r1y h LEU 125 Cb 0.30 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1r1y h LEU 125 CO -0.01 1.06 0.10 -0.78 0.09 0.00 0.00 178.44 178.90 1r1y h ASP 126 N 0.76 0.51 -0.72 -0.43 3.58 -0.85 -0.57 116.42 118.70 1r1y h ASP 126 Ca 0.11 -0.21 -0.01 0.00 0.42 0.00 0.00 57.03 57.33 1r1y h ASP 126 Cb 0.74 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.62 1r1y h ASP 126 CO 0.06 0.59 0.40 0.11 -2.88 0.00 0.00 179.24 177.52 1r1y h LYS 127 N 0.41 0.99 0.03 0.28 1.57 -0.82 -1.55 116.57 117.48 1r1y h LYS 127 Ca 0.11 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1r1y h LYS 127 Cb 0.27 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1r1y h LYS 127 CO -0.00 0.74 -0.01 0.35 -0.57 0.00 0.00 179.45 179.95 1r1y h PHE 128 N 0.98 -0.04 -0.72 -1.35 3.57 -0.44 0.25 116.94 119.20 1r1y h PHE 128 Ca 0.25 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.71 1r1y h PHE 128 Cb 0.03 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 1r1y h PHE 128 CO -0.00 -0.02 0.29 -0.07 -2.23 0.00 0.00 178.31 176.28 1r1y h LEU 129 N -0.05 0.99 -1.24 0.59 3.38 -0.98 0.15 115.31 118.17 1r1y h LEU 129 Ca -0.00 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1r1y h LEU 129 Cb 0.04 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.50 1r1y h LEU 129 CO 0.01 0.89 0.38 0.00 0.09 0.00 0.00 178.44 179.81 1r1y h ALA 130 N 1.14 1.42 -0.34 1.53 0.00 -1.08 0.33 119.26 122.27 1r1y h ALA 130 Ca 0.24 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1r1y h ALA 130 Cb 0.21 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1r1y h ALA 130 CO -0.02 0.49 -0.24 1.03 0.00 0.00 0.00 179.25 180.51 1r1y h SER 131 N 0.91 0.80 -0.52 0.00 0.87 0.04 -0.76 113.55 114.91 1r1y h SER 131 Ca 0.24 -0.44 -0.03 0.00 -1.23 0.00 0.00 61.79 60.33 1r1y h SER 131 Cb -0.01 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 61.71 1r1y h SER 131 CO -0.04 1.07 0.21 0.58 -0.53 0.00 0.00 176.83 178.11 1r1y h VAL 132 N 0.54 1.21 -0.72 2.23 2.07 -0.25 -1.88 116.25 119.46 1r1y h VAL 132 Ca 0.07 -0.67 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 1r1y h VAL 132 Cb 0.80 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 1r1y h VAL 132 CO 0.06 0.25 0.42 0.28 0.02 0.00 0.00 177.57 178.61 1r1y h SER 133 N 0.69 0.86 -0.38 0.57 0.02 -0.77 -0.89 113.55 113.64 1r1y h SER 133 Ca 0.17 -0.05 -0.04 0.00 -0.84 0.00 0.00 61.79 61.03 1r1y h SER 133 Cb 0.20 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.50 1r1y h SER 133 CO -0.01 0.67 0.07 0.74 -1.14 0.00 0.00 176.83 177.16 1r1y h THR 134 N 0.99 1.24 -0.79 -2.27 2.02 -0.80 -1.98 112.91 111.32 1r1y h THR 134 Ca 0.26 -0.83 -0.03 0.00 0.77 0.00 0.00 66.41 66.58 1r1y h THR 134 Cb -0.02 1.04 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 1r1y h THR 134 CO -0.05 0.28 0.37 0.58 0.37 0.00 0.00 175.52 177.07 1r1y h VAL 135 N 0.48 1.25 0.00 3.16 2.07 -0.83 -0.19 116.25 122.19 1r1y h VAL 135 Ca 0.12 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1r1y h VAL 135 Cb 0.34 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1r1y h VAL 135 CO 0.01 0.30 0.00 -0.07 0.02 0.00 0.00 177.57 177.83 1r1y h LEU 136 N 1.12 0.00 -2.25 2.57 3.38 -0.97 -2.86 115.31 116.31 1r1y h LEU 136 Ca 0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.24 1r1y h LEU 136 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1r1y h LEU 136 CO -0.03 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.85 1r1y n THR 137 N -2.97 0.55 0.24 0.22 -2.24 -0.76 -4.43 114.28 104.90 1r1y n THR 137 Ca 0.01 -0.78 0.09 0.00 -2.27 0.00 0.00 64.05 61.10 1r1y n THR 137 Cb 0.30 0.84 0.62 0.00 -2.10 0.00 0.00 70.33 69.98 1r1y n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1r1y h SER 138 N 2.28 0.00 -0.72 3.42 4.64 -0.80 -2.64 113.55 119.74 1r1y h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1r1y h SER 138 Cb 0.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.73 1r1y h SER 138 CO 0.00 0.15 0.00 0.29 -0.87 0.00 0.00 176.83 176.40 1r1y n LYS 139 N -4.00 2.66 -0.33 4.77 5.02 -1.26 -4.58 118.16 120.45 1r1y n LYS 139 Ca -0.02 -2.59 0.06 0.00 -2.02 0.00 0.00 58.31 53.74 1r1y n LYS 139 Cb 0.24 -1.56 0.21 0.00 -0.02 0.00 0.00 35.03 33.90 1r1y n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1r1y h TYR 140 N 4.22 1.02 0.00 2.13 0.99 -1.79 -3.47 116.97 120.07 1r1y h TYR 140 Ca 0.00 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.76 1r1y h TYR 140 Cb 0.96 -0.32 0.00 0.00 1.00 0.00 0.00 36.73 38.38 1r1y h TYR 140 CO 0.48 0.40 0.00 2.89 -0.00 0.00 0.00 178.16 181.92