#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ye2 s LEU 2 N 0.00 4.34 0.65 7.52 1.43 -1.26 -5.03 118.68 126.33 1ye2 s LEU 2 Ca 0.00 2.27 -0.09 0.00 -1.03 0.00 0.00 54.13 55.29 1ye2 s LEU 2 Cb 0.00 -3.56 0.01 0.00 0.03 0.00 0.00 46.19 42.67 1ye2 s LEU 2 CO 0.00 -0.80 1.00 -0.94 0.23 0.00 0.00 176.35 175.84 1ye2 s SER 3 N 2.17 5.49 0.28 2.29 1.04 -1.26 -4.87 113.70 118.83 1ye2 s SER 3 Ca 0.68 0.91 0.01 0.00 0.48 0.00 0.00 55.95 58.04 1ye2 s SER 3 Cb -0.35 -1.79 0.64 0.00 0.10 0.00 0.00 66.02 64.62 1ye2 s SER 3 CO 0.29 -1.22 1.72 -0.65 0.98 0.00 0.00 173.24 174.35 1ye2 h PRO 4 N -0.43 0.44 -0.21 4.02 0.11 -2.00 -0.89 132.00 133.05 1ye2 h PRO 4 Ca -0.45 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.54 1ye2 h PRO 4 Cb 1.26 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1ye2 h PRO 4 CO 0.62 0.29 -0.27 0.00 -0.21 0.00 0.00 178.00 178.44 1ye2 h ALA 5 N 1.65 1.15 -0.10 -0.75 0.00 -1.99 -1.81 119.26 117.40 1ye2 h ALA 5 Ca 0.51 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1ye2 h ALA 5 Cb 0.89 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1ye2 h ALA 5 CO -0.47 0.54 0.05 -0.44 0.00 0.00 0.00 179.25 178.93 1ye2 h ASP 6 N 0.35 0.14 -0.66 0.00 3.32 -1.57 -0.21 116.42 117.79 1ye2 h ASP 6 Ca 0.05 -0.11 0.03 0.00 0.02 0.00 0.00 57.03 57.02 1ye2 h ASP 6 Cb 0.66 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 40.14 1ye2 h ASP 6 CO 0.05 0.20 0.41 0.11 -1.72 0.00 0.00 179.24 178.29 1ye2 h LYS 7 N 0.06 0.77 -0.34 3.56 1.57 -0.99 -0.88 116.57 120.32 1ye2 h LYS 7 Ca 0.04 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1ye2 h LYS 7 Cb 0.10 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1ye2 h LYS 7 CO -0.01 0.51 0.20 1.15 -0.57 0.00 0.00 179.45 180.74 1ye2 h THR 8 N 0.80 1.12 -0.59 -0.16 2.02 -1.16 -1.61 112.91 113.33 1ye2 h THR 8 Ca 0.26 -0.29 0.01 0.00 0.77 0.00 0.00 66.41 67.16 1ye2 h THR 8 Cb 0.02 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.11 1ye2 h THR 8 CO -0.11 0.12 0.39 0.78 0.37 0.00 0.00 175.52 177.07 1ye2 h ASN 9 N 0.43 0.68 -0.23 4.18 2.35 -0.26 -1.64 115.58 121.09 1ye2 h ASN 9 Ca 0.12 -0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.77 1ye2 h ASN 9 Cb 0.02 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.22 1ye2 h ASN 9 CO -0.02 0.49 -0.16 0.58 -1.65 0.00 0.00 177.43 176.67 1ye2 h VAL 10 N 0.80 1.31 -1.01 2.81 2.07 -1.09 -0.48 116.25 120.66 1ye2 h VAL 10 Ca 0.21 -1.29 0.04 0.00 0.82 0.00 0.00 66.70 66.49 1ye2 h VAL 10 Cb -0.09 1.65 -0.06 0.00 -1.52 0.00 0.00 31.29 31.28 1ye2 h VAL 10 CO -0.05 0.40 0.66 0.11 0.02 0.00 0.00 177.57 178.71 1ye2 h LYS 11 N 0.21 1.23 0.45 1.57 1.57 -1.21 0.19 116.57 120.58 1ye2 h LYS 11 Ca 0.04 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1ye2 h LYS 11 Cb 0.69 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1ye2 h LYS 11 CO 0.04 0.81 -0.21 0.00 -0.57 0.00 0.00 179.45 179.52 1ye2 h ALA 12 N 1.42 -0.60 -0.57 3.86 0.00 -1.13 -1.12 119.26 121.12 1ye2 h ALA 12 Ca 0.41 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.18 1ye2 h ALA 12 Cb 0.02 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1ye2 h ALA 12 CO -0.13 -0.69 0.30 0.00 0.00 0.00 0.00 179.25 178.72 1ye2 h ALA 13 N -0.50 0.75 0.00 0.00 0.00 -0.93 -2.30 119.26 116.28 1ye2 h ALA 13 Ca -0.06 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.79 1ye2 h ALA 13 Cb 0.57 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1ye2 h ALA 13 CO 0.10 -0.05 -0.38 2.35 0.00 0.00 0.00 179.25 181.28 1ye2 h TRP 14 N 0.56 0.00 -0.83 0.00 2.91 -0.62 -2.96 115.95 115.01 1ye2 h TRP 14 Ca 0.26 0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.30 1ye2 h TRP 14 Cb 0.17 0.00 -0.05 0.00 -0.51 0.00 0.00 29.16 28.77 1ye2 h TRP 14 CO -0.10 0.38 0.53 0.78 -1.03 0.00 0.00 178.44 179.00 1ye2 h GLY 15 N 1.24 1.19 1.92 2.65 0.00 -0.61 -2.72 103.07 106.75 1ye2 h GLY 15 Ca -0.00 -0.41 -0.13 0.00 0.00 0.00 0.00 47.33 46.78 1ye2 h GLY 15 CO 0.05 0.36 -0.59 0.50 0.00 0.00 0.00 176.54 176.86 1ye2 h LYS 16 N 1.05 0.08 -0.91 4.80 1.79 -1.43 -2.18 116.57 119.77 1ye2 h LYS 16 Ca 0.32 -0.05 0.07 0.00 -2.18 0.00 0.00 60.65 58.80 1ye2 h LYS 16 Cb -0.03 0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 30.57 1ye2 h LYS 16 CO -0.10 0.65 0.57 0.28 -1.08 0.00 0.00 179.45 179.77 1ye2 h VAL 17 N 0.06 1.05 0.00 0.50 2.07 -1.47 -3.44 116.25 115.02 1ye2 h VAL 17 Ca -0.01 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.16 1ye2 h VAL 17 Cb 1.06 -0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1ye2 h VAL 17 CO 0.08 0.19 0.00 0.61 0.02 0.00 0.00 177.57 178.47 1ye2 n GLY 18 N -1.34 1.02 0.06 2.17 0.00 -0.82 0.49 105.19 106.78 1ye2 n GLY 18 Ca 0.14 0.11 0.04 0.00 0.00 0.00 0.00 46.02 46.31 1ye2 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ye2 n ALA 19 N 4.20 0.99 1.39 4.61 0.00 -1.26 -1.81 120.51 128.62 1ye2 n ALA 19 Ca 0.00 0.07 0.14 0.00 0.00 0.00 0.00 53.44 53.65 1ye2 n ALA 19 Cb 0.00 -1.10 0.52 0.00 0.00 0.00 0.00 19.45 18.87 1ye2 n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ye2 n HIS 20 N -1.78 0.00 -0.23 0.00 8.25 0.18 -4.43 115.22 117.22 1ye2 n HIS 20 Ca -0.01 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.49 1ye2 n HIS 20 Cb 0.03 -0.11 0.13 0.00 1.12 0.00 0.00 29.99 31.15 1ye2 n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ye2 h ALA 21 N 3.80 0.72 -0.47 -1.41 0.00 -1.40 0.14 119.26 120.65 1ye2 h ALA 21 Ca 0.00 0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1ye2 h ALA 21 Cb 0.43 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 1ye2 h ALA 21 CO 0.00 -0.39 0.29 0.78 0.00 0.00 0.00 179.25 179.93 1ye2 h GLY 22 N 0.14 0.66 1.01 0.00 0.00 -1.85 -0.50 103.07 102.53 1ye2 h GLY 22 Ca 0.37 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 1ye2 h GLY 22 CO -0.57 0.20 0.31 0.83 0.00 0.00 0.00 176.54 177.31 1ye2 h GLU 23 N 0.59 0.96 -0.67 4.80 5.08 -1.09 -2.44 114.58 121.80 1ye2 h GLU 23 Ca 0.18 -0.15 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 1ye2 h GLU 23 Cb -0.02 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 1ye2 h GLU 23 CO -0.07 0.77 0.24 1.88 -1.00 0.00 0.00 179.01 180.84 1ye2 h TYR 24 N 0.92 1.05 -0.32 4.33 -1.99 -0.66 -0.62 116.97 119.69 1ye2 h TYR 24 Ca 0.23 -0.09 0.07 0.00 2.00 0.00 0.00 58.73 60.93 1ye2 h TYR 24 Cb 0.14 -0.31 -0.07 0.00 2.00 0.00 0.00 36.73 38.49 1ye2 h TYR 24 CO 0.01 0.83 -0.11 0.78 -0.00 0.00 0.00 178.16 179.67 1ye2 h GLY 25 N 0.97 0.19 0.97 3.88 0.00 -0.90 0.89 103.07 109.07 1ye2 h GLY 25 Ca 0.22 0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.67 1ye2 h GLY 25 CO -0.01 -0.14 0.23 0.00 0.00 0.00 0.00 176.54 176.62 1ye2 h ALA 26 N 1.26 0.65 -0.72 3.60 0.00 -1.27 -2.11 119.26 120.67 1ye2 h ALA 26 Ca 0.16 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1ye2 h ALA 26 Cb 0.28 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1ye2 h ALA 26 CO -0.35 0.22 0.47 1.49 0.00 0.00 0.00 179.25 181.08 1ye2 h GLU 27 N 0.67 0.93 -0.59 0.00 4.81 -0.61 -1.14 114.58 118.66 1ye2 h GLU 27 Ca 0.17 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.31 1ye2 h GLU 27 Cb 0.13 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 1ye2 h GLU 27 CO -0.02 0.62 0.23 0.00 -0.73 0.00 0.00 179.01 179.11 1ye2 h ALA 28 N 1.27 0.76 -0.43 2.92 0.00 -0.55 -1.03 119.26 122.20 1ye2 h ALA 28 Ca 0.27 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ye2 h ALA 28 Cb -0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1ye2 h ALA 28 CO -0.07 0.37 0.27 -0.07 0.00 0.00 0.00 179.25 179.75 1ye2 h LEU 29 N 0.81 0.52 -0.70 0.00 3.38 -1.15 -0.68 115.31 117.48 1ye2 h LEU 29 Ca 0.20 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1ye2 h LEU 29 Cb 0.20 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1ye2 h LEU 29 CO -0.02 0.41 0.30 -0.08 0.09 0.00 0.00 178.44 179.14 1ye2 h GLU 30 N 0.58 1.03 -0.81 1.13 4.81 -0.81 -0.60 114.58 119.90 1ye2 h GLU 30 Ca 0.16 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1ye2 h GLU 30 Cb -0.02 -0.17 -0.04 0.00 0.63 0.00 0.00 28.75 29.15 1ye2 h GLU 30 CO -0.03 0.84 0.39 0.00 -0.73 0.00 0.00 179.01 179.48 1ye2 h ARG 31 N 0.98 1.17 -0.08 1.92 3.08 -0.85 -2.23 114.38 118.37 1ye2 h ARG 31 Ca 0.24 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 60.11 1ye2 h ARG 31 Cb 0.18 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 1ye2 h ARG 31 CO -0.02 0.90 0.03 1.98 -1.07 0.00 0.00 179.97 181.79 1ye2 h MET 32 N 1.15 0.13 -0.43 0.04 4.05 -0.54 -0.03 114.93 119.30 1ye2 h MET 32 Ca 0.28 -0.02 0.03 0.00 -0.28 0.00 0.00 59.70 59.71 1ye2 h MET 32 Cb 0.11 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.87 1ye2 h MET 32 CO -0.04 0.25 0.29 0.74 0.23 0.00 0.00 176.91 178.38 1ye2 h PHE 33 N -0.02 0.46 0.18 1.39 0.04 -1.03 0.30 116.94 118.25 1ye2 h PHE 33 Ca 0.03 0.01 -0.32 0.00 2.80 0.00 0.00 57.97 60.49 1ye2 h PHE 33 Cb 0.17 -0.15 0.01 0.00 2.20 0.00 0.00 35.95 38.18 1ye2 h PHE 33 CO -0.02 0.27 -1.54 -0.07 -0.60 0.00 0.00 178.31 176.36 1ye2 h LEU 34 N 0.48 0.60 -0.12 1.54 3.38 -1.30 -3.28 115.31 116.61 1ye2 h LEU 34 Ca 0.17 -0.92 -0.22 0.00 0.09 0.00 0.00 57.88 57.00 1ye2 h LEU 34 Cb 0.10 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 1ye2 h LEU 34 CO -0.04 1.70 -1.00 0.28 0.09 0.00 0.00 178.44 179.47 1ye2 h SER 35 N -0.02 0.25 -2.29 -0.43 0.02 -0.85 -3.39 113.55 106.84 1ye2 h SER 35 Ca -0.30 -0.23 -0.59 0.00 -0.84 0.00 0.00 61.79 59.83 1ye2 h SER 35 Cb 2.00 -0.08 -0.40 0.00 0.14 0.00 0.00 62.40 64.06 1ye2 h SER 35 CO 0.17 1.10 -0.86 0.49 -1.14 0.00 0.00 176.83 176.59 1ye2 n PHE 36 N -3.56 1.18 0.25 3.45 3.01 0.10 -4.99 117.46 116.90 1ye2 n PHE 36 Ca -0.04 -3.79 0.18 0.00 1.01 0.00 0.00 57.45 54.81 1ye2 n PHE 36 Cb 0.89 -0.32 0.87 0.00 -0.01 0.00 0.00 39.48 40.91 1ye2 n PHE 36 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1ye2 h PRO 37 N 4.59 0.00 0.00 -1.08 0.11 -1.72 -0.72 132.00 133.17 1ye2 h PRO 37 Ca 0.16 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.26 1ye2 h PRO 37 Cb 0.81 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 1ye2 h PRO 37 CO 0.59 0.00 -0.02 1.79 -0.21 0.00 0.00 178.00 180.15 1ye2 h THR 38 N 0.00 0.28 0.00 -1.15 1.35 -1.91 -1.73 112.91 109.76 1ye2 h THR 38 Ca 0.07 -0.12 -0.01 0.00 -0.55 0.00 0.00 66.41 65.80 1ye2 h THR 38 Cb 0.56 1.09 -0.00 0.00 -1.73 0.00 0.00 68.15 68.07 1ye2 h THR 38 CO -0.00 0.02 -0.03 0.71 -0.25 0.00 0.00 175.52 175.96 1ye2 h THR 39 N 0.00 0.11 0.00 6.82 1.35 -1.44 -2.24 112.91 117.51 1ye2 h THR 39 Ca -0.00 -0.48 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 1ye2 h THR 39 Cb 0.09 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 1ye2 h THR 39 CO 0.00 0.03 0.00 0.11 -0.25 0.00 0.00 175.52 175.42 1ye2 h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.50 -2.94 116.57 118.42 1ye2 h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ye2 h LYS 40 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1ye2 h LYS 40 CO 0.00 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.67 1ye2 h THR 41 N 0.00 0.00 -0.01 -0.16 1.35 -1.59 -1.54 112.91 110.96 1ye2 h THR 41 Ca 0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 1ye2 h THR 41 Cb 0.18 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 1ye2 h THR 41 CO 0.00 0.00 -0.25 -1.22 -0.25 0.00 0.00 175.52 173.80 1ye2 n TYR 42 N -2.88 0.00 -2.46 4.73 4.01 -1.11 -4.26 117.16 115.19 1ye2 n TYR 42 Ca -0.01 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.57 1ye2 n TYR 42 Cb 0.16 -0.15 0.02 0.00 -0.31 0.00 0.00 39.34 39.06 1ye2 n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1ye2 n PHE 43 N -0.81 2.27 0.30 -0.72 3.01 -0.58 -4.86 117.46 116.08 1ye2 n PHE 43 Ca 0.12 -2.57 0.19 0.00 1.01 0.00 0.00 57.45 56.20 1ye2 n PHE 43 Cb 0.33 -0.25 0.93 0.00 -0.01 0.00 0.00 39.48 40.48 1ye2 n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1ye2 h PRO 44 N 2.56 0.00 -0.08 -1.08 0.13 -1.74 -1.71 132.00 130.07 1ye2 h PRO 44 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1ye2 h PRO 44 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1ye2 h PRO 44 CO 0.60 0.02 0.00 -2.39 -0.23 0.00 0.00 178.00 176.00 1ye2 n HIS 45 N -3.17 0.10 -4.00 1.56 1.44 -1.26 -4.88 115.22 105.00 1ye2 n HIS 45 Ca -0.01 -0.05 -0.31 0.00 -2.01 0.00 0.00 57.72 55.34 1ye2 n HIS 45 Cb 0.19 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.25 1ye2 n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1ye2 s PHE 46 N -1.90 3.31 -0.22 -1.40 2.99 -0.65 -5.07 117.98 115.05 1ye2 s PHE 46 Ca 0.35 0.14 -0.28 0.00 0.00 0.00 0.00 56.93 57.14 1ye2 s PHE 46 Cb 0.19 -1.67 0.00 0.00 0.00 0.00 0.00 43.02 41.54 1ye2 s PHE 46 CO 0.29 0.55 0.99 0.34 -0.00 0.00 0.00 175.22 177.39 1ye2 s ASP 47 N -2.44 7.05 0.00 1.36 -1.08 -1.26 -4.92 116.67 115.39 1ye2 s ASP 47 Ca 0.31 1.32 0.20 0.00 -0.52 0.00 0.00 52.55 53.86 1ye2 s ASP 47 Cb -0.12 -2.52 0.49 0.00 -1.46 0.00 0.00 42.92 39.31 1ye2 s ASP 47 CO 0.24 -0.62 1.41 0.18 0.52 0.00 0.00 175.17 176.91 1ye2 n LEU 48 N 6.14 3.53 -4.75 -1.34 4.77 -1.26 -4.51 117.00 119.59 1ye2 n LEU 48 Ca 0.10 -1.82 -0.37 0.00 -0.03 0.00 0.00 56.01 53.90 1ye2 n LEU 48 Cb 0.47 -0.35 0.04 0.00 -2.33 0.00 0.00 43.42 41.24 1ye2 n LEU 48 CO 0.51 0.84 0.87 -0.94 -1.33 0.00 0.00 177.39 177.34 1ye2 s SER 49 N -1.13 5.15 0.23 -1.43 1.04 -1.26 -4.89 113.70 111.41 1ye2 s SER 49 Ca 0.39 2.48 -0.31 0.00 0.48 0.00 0.00 55.95 58.99 1ye2 s SER 49 Cb 0.21 -2.61 -0.14 0.00 0.10 0.00 0.00 66.02 63.59 1ye2 s SER 49 CO 0.29 -1.63 1.34 1.57 0.98 0.00 0.00 173.24 175.79 1ye2 n HIS 50 N -1.51 1.97 -0.82 5.02 -0.00 -1.26 -1.06 115.22 117.56 1ye2 n HIS 50 Ca 0.13 0.50 0.00 0.00 0.46 0.00 0.00 57.72 58.81 1ye2 n HIS 50 Cb 0.49 -2.41 0.00 0.00 -0.12 0.00 0.00 29.99 27.94 1ye2 n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1ye2 n GLY 51 N 2.02 0.91 3.64 1.57 0.00 -1.26 -5.02 105.19 107.04 1ye2 n GLY 51 Ca 0.12 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 1ye2 n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ye2 n SER 52 N 0.00 2.02 0.17 1.61 2.88 -0.22 -4.88 113.62 115.20 1ye2 n SER 52 Ca 0.00 1.18 0.02 0.00 -1.33 0.00 0.00 58.87 58.74 1ye2 n SER 52 Cb 0.00 -1.37 0.29 0.00 -0.75 0.00 0.00 64.21 62.38 1ye2 n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ye2 h ALA 53 N 2.55 1.14 -0.30 -1.46 0.00 -1.90 -1.61 119.26 117.67 1ye2 h ALA 53 Ca -0.43 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.02 1ye2 h ALA 53 Cb 1.31 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1ye2 h ALA 53 CO 0.64 0.58 0.02 1.96 0.00 0.00 0.00 179.25 182.45 1ye2 h GLN 54 N 0.00 0.52 -0.16 0.00 4.20 -1.90 -0.75 115.11 117.02 1ye2 h GLN 54 Ca -0.00 -0.15 -0.04 0.00 0.06 0.00 0.00 58.65 58.52 1ye2 h GLN 54 Cb 0.87 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.59 1ye2 h GLN 54 CO 0.06 0.64 -0.04 0.28 -0.67 0.00 0.00 178.83 179.10 1ye2 h VAL 55 N 0.32 1.29 -0.21 -0.54 2.07 -1.74 -0.70 116.25 116.74 1ye2 h VAL 55 Ca 0.09 -1.01 0.05 0.00 0.82 0.00 0.00 66.70 66.65 1ye2 h VAL 55 Cb 0.39 1.64 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 1ye2 h VAL 55 CO 0.01 0.30 -0.14 0.11 0.02 0.00 0.00 177.57 177.87 1ye2 h LYS 56 N 0.00 -0.13 -0.54 1.57 1.57 -1.26 0.32 116.57 118.11 1ye2 h LYS 56 Ca 0.04 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1ye2 h LYS 56 Cb 0.48 0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.78 1ye2 h LYS 56 CO 0.02 -0.08 0.33 0.78 -0.57 0.00 0.00 179.45 179.92 1ye2 h GLY 57 N -0.13 0.77 1.34 3.86 0.00 -1.06 -1.89 103.07 105.96 1ye2 h GLY 57 Ca 0.12 -0.25 -0.15 0.00 0.00 0.00 0.00 47.33 47.06 1ye2 h GLY 57 CO -0.29 0.21 -0.41 0.84 0.00 0.00 0.00 176.54 176.89 1ye2 h HIS 58 N 0.65 0.86 -1.00 5.60 -0.00 -0.55 -2.73 115.15 117.99 1ye2 h HIS 58 Ca 0.22 -0.26 0.11 0.00 -0.00 0.00 0.00 60.37 60.44 1ye2 h HIS 58 Cb 0.02 -0.18 -0.08 0.00 -0.00 0.00 0.00 27.41 27.16 1ye2 h HIS 58 CO -0.06 1.01 0.63 0.78 -0.00 0.00 0.00 177.93 180.29 1ye2 h GLY 59 N 0.94 1.60 0.95 5.26 0.00 0.12 -0.92 103.07 111.02 1ye2 h GLY 59 Ca 0.05 -0.43 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 1ye2 h GLY 59 CO 0.09 0.19 0.10 1.70 0.00 0.00 0.00 176.54 178.61 1ye2 h LYS 60 N 1.01 0.69 -0.38 4.80 3.64 -1.05 -1.07 116.57 124.21 1ye2 h LYS 60 Ca 0.48 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.70 1ye2 h LYS 60 Cb 0.45 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1ye2 h LYS 60 CO -0.25 0.71 0.25 0.87 -2.27 0.00 0.00 179.45 178.76 1ye2 h LYS 61 N 0.56 0.49 0.08 1.90 1.57 -1.16 0.78 116.57 120.80 1ye2 h LYS 61 Ca 0.13 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1ye2 h LYS 61 Cb 0.33 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1ye2 h LYS 61 CO 0.00 0.32 -0.04 0.28 -0.57 0.00 0.00 179.45 179.45 1ye2 h VAL 62 N 0.51 0.99 -1.00 0.50 2.07 -1.10 -1.80 116.25 116.42 1ye2 h VAL 62 Ca 0.14 -0.26 0.06 0.00 0.82 0.00 0.00 66.70 67.46 1ye2 h VAL 62 Cb -0.05 1.16 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 1ye2 h VAL 62 CO -0.03 0.06 0.65 0.00 0.02 0.00 0.00 177.57 178.27 1ye2 h ALA 63 N 0.69 1.40 -0.34 1.67 0.00 -0.95 -1.46 119.26 120.26 1ye2 h ALA 63 Ca -0.01 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 1ye2 h ALA 63 Cb 0.19 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1ye2 h ALA 63 CO 0.02 0.47 -0.22 -0.44 0.00 0.00 0.00 179.25 179.07 1ye2 h ASP 64 N 1.19 0.67 -0.49 0.00 3.32 -0.62 -0.61 116.42 119.89 1ye2 h ASP 64 Ca 0.42 -0.23 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 1ye2 h ASP 64 Cb 0.12 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 1ye2 h ASP 64 CO -0.16 0.89 0.17 0.00 -1.72 0.00 0.00 179.24 178.41 1ye2 h ALA 65 N 1.17 1.27 -0.52 3.45 0.00 -0.80 -1.56 119.26 122.26 1ye2 h ALA 65 Ca 0.08 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 1ye2 h ALA 65 Cb 0.70 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1ye2 h ALA 65 CO 0.05 0.52 -0.12 -0.07 0.00 0.00 0.00 179.25 179.63 1ye2 h LEU 66 N 0.80 1.01 -0.80 0.00 3.38 -0.52 -1.02 115.31 118.16 1ye2 h LEU 66 Ca 0.18 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.81 1ye2 h LEU 66 Cb 0.24 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 1ye2 h LEU 66 CO -0.01 1.13 0.52 0.74 0.09 0.00 0.00 178.44 180.92 1ye2 h THR 67 N 0.87 1.19 -0.69 0.22 2.02 -0.78 -0.40 112.91 115.34 1ye2 h THR 67 Ca 0.13 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 66.93 1ye2 h THR 67 Cb 0.69 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 1ye2 h THR 67 CO 0.05 0.19 0.36 -1.13 0.37 0.00 0.00 175.52 175.37 1ye2 h ASN 68 N 1.06 0.89 -0.40 4.18 -1.24 -1.10 -0.34 115.58 118.63 1ye2 h ASN 68 Ca 0.30 -0.11 -0.01 0.00 0.71 0.00 0.00 56.30 57.19 1ye2 h ASN 68 Cb -0.10 -0.23 -0.02 0.00 0.73 0.00 0.00 38.32 38.71 1ye2 h ASN 68 CO -0.07 0.75 0.21 0.00 -1.29 0.00 0.00 177.43 177.02 1ye2 h ALA 69 N 1.18 0.51 -0.58 1.57 0.00 -0.49 -0.47 119.26 120.99 1ye2 h ALA 69 Ca 0.24 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1ye2 h ALA 69 Cb 0.07 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1ye2 h ALA 69 CO -0.04 0.05 0.30 0.28 0.00 0.00 0.00 179.25 179.85 1ye2 h VAL 70 N 0.51 1.20 -0.39 0.00 2.07 -0.62 -0.73 116.25 118.29 1ye2 h VAL 70 Ca 0.14 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 67.12 1ye2 h VAL 70 Cb 0.07 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 1ye2 h VAL 70 CO -0.02 0.22 0.12 0.00 0.02 0.00 0.00 177.57 177.91 1ye2 h ALA 71 N 1.13 1.50 -1.00 1.67 0.00 -0.85 -2.94 119.26 118.78 1ye2 h ALA 71 Ca 0.20 -0.13 -0.64 0.00 0.00 0.00 0.00 54.91 54.34 1ye2 h ALA 71 Cb 0.07 -0.16 -0.35 0.00 0.00 0.00 0.00 17.79 17.34 1ye2 h ALA 71 CO -0.03 0.38 0.11 0.72 0.00 0.00 0.00 179.25 180.43 1ye2 n HIS 72 N -4.36 3.06 0.04 0.00 8.25 -0.20 -4.82 115.22 117.19 1ye2 n HIS 72 Ca 0.02 -2.67 0.04 0.00 -0.26 0.00 0.00 57.72 54.86 1ye2 n HIS 72 Cb 0.17 -0.84 0.44 0.00 1.12 0.00 0.00 29.99 30.88 1ye2 n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1ye2 h VAL 73 N 1.79 1.10 0.00 1.59 3.04 -0.97 -0.87 116.25 121.94 1ye2 h VAL 73 Ca 0.48 -0.25 0.00 0.00 -1.01 0.00 0.00 66.70 65.92 1ye2 h VAL 73 Cb 0.93 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 30.85 1ye2 h VAL 73 CO 1.18 0.11 0.00 0.47 -1.01 0.00 0.00 177.57 178.33 1ye2 n ASP 74 N -4.46 0.00 -2.73 3.17 8.00 -1.26 -3.96 116.55 115.31 1ye2 n ASP 74 Ca 0.02 -0.07 -0.04 0.00 0.71 0.00 0.00 54.79 55.42 1ye2 n ASP 74 Cb 0.09 -0.28 0.08 0.00 -0.02 0.00 0.00 41.12 40.99 1ye2 n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1ye2 n ASP 75 N -1.28 0.03 -0.23 -2.24 2.03 -0.37 -4.99 116.55 109.50 1ye2 n ASP 75 Ca 0.11 -2.30 -0.03 0.00 0.52 0.00 0.00 54.79 53.09 1ye2 n ASP 75 Cb 0.19 0.12 0.08 0.00 -0.72 0.00 0.00 41.12 40.79 1ye2 n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1ye2 h MET 76 N 2.12 0.71 -0.82 -0.67 2.86 -1.59 -1.99 114.93 115.54 1ye2 h MET 76 Ca -0.25 -0.04 0.11 0.00 -2.06 0.00 0.00 59.70 57.46 1ye2 h MET 76 Cb 1.27 -0.16 -0.06 0.00 0.06 0.00 0.00 31.60 32.71 1ye2 h MET 76 CO 0.09 0.47 0.54 -1.35 1.06 0.00 0.00 176.91 177.72 1ye2 h PRO 77 N 0.73 0.68 0.02 -0.22 0.11 -1.94 -0.11 132.00 131.28 1ye2 h PRO 77 Ca 0.28 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.30 1ye2 h PRO 77 Cb 0.11 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.07 1ye2 h PRO 77 CO -0.15 0.45 -0.20 -0.91 -0.21 0.00 0.00 178.00 176.99 1ye2 h ASN 78 N 0.70 0.14 -0.06 -2.05 4.21 -1.79 -2.24 115.58 114.50 1ye2 h ASN 78 Ca 0.39 -0.89 0.01 0.00 1.21 0.00 0.00 56.30 57.02 1ye2 h ASN 78 Cb 0.55 -0.04 -0.00 0.00 -1.12 0.00 0.00 38.32 37.70 1ye2 h ASN 78 CO -0.16 1.01 0.04 0.00 -1.29 0.00 0.00 177.43 177.04 1ye2 h ALA 79 N 0.12 1.99 -0.50 -0.83 0.00 -1.10 -2.61 119.26 116.34 1ye2 h ALA 79 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ye2 h ALA 79 Cb 1.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1ye2 h ALA 79 CO 0.04 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.57 1ye2 n LEU 80 N -4.53 3.93 -0.17 0.00 4.77 -0.08 -4.71 117.00 116.21 1ye2 n LEU 80 Ca -0.02 -2.34 -0.02 0.00 -0.03 0.00 0.00 56.01 53.60 1ye2 n LEU 80 Cb 0.11 -0.45 0.06 0.00 -2.33 0.00 0.00 43.42 40.80 1ye2 n LEU 80 CO 0.34 0.79 0.80 0.77 -1.33 0.00 0.00 177.39 178.76 1ye2 h SER 81 N 3.07 -0.34 -0.83 -1.43 4.64 -0.99 -0.53 113.55 117.13 1ye2 h SER 81 Ca 0.00 0.14 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 1ye2 h SER 81 Cb 1.16 0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 63.48 1ye2 h SER 81 CO 0.13 -0.13 0.50 0.00 -0.87 0.00 0.00 176.83 176.46 1ye2 h ALA 82 N 1.49 1.06 -0.41 5.18 0.00 -1.84 -0.38 119.26 124.36 1ye2 h ALA 82 Ca 0.26 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1ye2 h ALA 82 Cb 0.40 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1ye2 h ALA 82 CO -0.49 0.53 -0.24 -0.07 0.00 0.00 0.00 179.25 178.99 1ye2 h LEU 83 N 1.15 0.86 -0.47 0.00 4.07 -1.74 -1.13 115.31 118.04 1ye2 h LEU 83 Ca 0.30 -0.32 -0.02 0.00 0.08 0.00 0.00 57.88 57.91 1ye2 h LEU 83 Cb -0.03 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.45 1ye2 h LEU 83 CO -0.05 1.06 0.20 0.28 -1.08 0.00 0.00 178.44 178.84 1ye2 h SER 84 N 0.72 0.64 -0.11 -0.43 0.02 -0.61 -1.41 113.55 112.36 1ye2 h SER 84 Ca 0.09 -0.16 0.04 0.00 -0.84 0.00 0.00 61.79 60.92 1ye2 h SER 84 Cb 0.77 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.11 1ye2 h SER 84 CO 0.06 0.62 -0.14 0.44 -1.14 0.00 0.00 176.83 176.67 1ye2 h ASP 85 N 0.61 -0.44 -0.27 3.07 3.32 -0.87 -1.46 116.42 120.40 1ye2 h ASP 85 Ca 0.16 0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.32 1ye2 h ASP 85 Cb 0.17 0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.90 1ye2 h ASP 85 CO -0.01 -0.19 0.08 0.25 -1.72 0.00 0.00 179.24 177.65 1ye2 h LEU 86 N -0.18 0.08 -0.82 1.55 5.85 -0.96 -0.03 115.31 120.79 1ye2 h LEU 86 Ca 0.09 0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.71 1ye2 h LEU 86 Cb 0.30 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1ye2 h LEU 86 CO -0.22 0.08 -0.49 0.45 -0.34 0.00 0.00 178.44 177.92 1ye2 h HIS 87 N 0.20 0.30 0.14 1.25 3.86 -1.16 -0.61 115.15 119.12 1ye2 h HIS 87 Ca 0.12 -0.09 -0.25 0.00 -1.16 0.00 0.00 60.37 58.98 1ye2 h HIS 87 Cb 0.10 -0.06 0.03 0.00 1.06 0.00 0.00 27.41 28.53 1ye2 h HIS 87 CO -0.14 0.69 -1.08 0.00 0.86 0.00 0.00 177.93 178.26 1ye2 h ALA 88 N 1.29 -0.06 0.00 2.45 0.00 -0.94 0.47 119.26 122.48 1ye2 h ALA 88 Ca 0.01 -0.74 -0.21 0.00 0.00 0.00 0.00 54.91 53.97 1ye2 h ALA 88 Cb 0.93 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1ye2 h ALA 88 CO 0.08 0.55 -1.92 0.72 0.00 0.00 0.00 179.25 178.68 1ye2 n HIS 89 N -3.94 0.00 -0.07 0.00 8.25 -0.05 -4.39 115.22 115.02 1ye2 n HIS 89 Ca -0.14 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.22 1ye2 n HIS 89 Cb 0.92 -0.63 -0.03 0.00 1.12 0.00 0.00 29.99 31.37 1ye2 n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1ye2 n LYS 90 N -2.43 0.43 -0.00 -0.41 4.81 -0.90 -4.78 118.16 114.87 1ye2 n LYS 90 Ca -0.19 0.17 -0.17 0.00 -0.87 0.00 0.00 58.31 57.25 1ye2 n LYS 90 Cb 0.85 -1.25 -0.10 0.00 0.02 0.00 0.00 35.03 34.56 1ye2 n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1ye2 h LEU 91 N -0.79 0.65 -2.01 3.14 3.38 -1.26 -3.48 115.31 114.94 1ye2 h LEU 91 Ca -0.09 -0.71 -0.34 0.00 0.09 0.00 0.00 57.88 56.83 1ye2 h LEU 91 Cb 0.91 -0.20 0.14 0.00 0.09 0.00 0.00 40.66 41.60 1ye2 h LEU 91 CO -0.05 1.26 -0.82 0.54 0.09 0.00 0.00 178.44 179.45 1ye2 n ARG 92 N -4.15 -4.65 -2.66 1.13 1.74 0.16 -4.94 116.66 103.30 1ye2 n ARG 92 Ca -0.09 0.76 -0.42 0.00 -0.77 0.00 0.00 57.85 57.33 1ye2 n ARG 92 Cb 0.68 -5.54 -0.03 0.00 -1.02 0.00 0.00 32.46 26.56 1ye2 n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ye2 s VAL 93 N -3.46 4.72 0.23 1.55 1.01 -1.21 -4.98 120.40 118.26 1ye2 s VAL 93 Ca 0.15 1.95 -0.32 0.00 0.00 0.00 0.00 61.98 63.77 1ye2 s VAL 93 Cb -0.03 -4.25 -0.14 0.00 0.00 0.00 0.00 36.38 31.96 1ye2 s VAL 93 CO 0.76 0.14 1.42 -0.67 0.00 0.00 0.00 175.10 176.75 1ye2 n ASP 94 N 4.03 2.74 -0.07 3.32 2.03 -1.26 -4.84 116.55 122.50 1ye2 n ASP 94 Ca 0.07 1.13 0.25 0.00 0.52 0.00 0.00 54.79 56.76 1ye2 n ASP 94 Cb 0.50 -1.42 0.72 0.00 -0.72 0.00 0.00 41.12 40.20 1ye2 n ASP 94 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1ye2 h PRO 95 N 4.40 0.00 0.00 -0.67 0.11 -2.00 -1.98 132.00 131.86 1ye2 h PRO 95 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1ye2 h PRO 95 Cb 1.28 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 1ye2 h PRO 95 CO 0.77 0.00 -0.05 0.28 -0.21 0.00 0.00 178.00 178.79 1ye2 h VAL 96 N 0.00 0.56 0.00 3.15 2.07 -2.04 -2.34 116.25 117.65 1ye2 h VAL 96 Ca 0.33 -0.21 -0.06 0.00 0.82 0.00 0.00 66.70 67.58 1ye2 h VAL 96 Cb 1.43 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 1ye2 h VAL 96 CO -0.00 0.05 -0.27 0.78 0.02 0.00 0.00 177.57 178.14 1ye2 h ASN 97 N 0.00 0.00 -0.78 0.57 4.21 -1.71 -3.12 115.58 114.75 1ye2 h ASN 97 Ca -0.00 0.00 -0.03 0.00 1.21 0.00 0.00 56.30 57.48 1ye2 h ASN 97 Cb 0.13 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.30 1ye2 h ASN 97 CO 0.01 0.27 0.39 -0.26 -1.29 0.00 0.00 177.43 176.55 1ye2 h PHE 98 N 0.00 1.12 -0.17 1.19 0.04 -1.62 -1.30 116.94 116.20 1ye2 h PHE 98 Ca -0.00 -0.05 -0.00 0.00 2.80 0.00 0.00 57.97 60.72 1ye2 h PHE 98 Cb 0.70 -0.35 -0.01 0.00 2.20 0.00 0.00 35.95 38.49 1ye2 h PHE 98 CO 0.00 0.81 0.09 0.87 -0.60 0.00 0.00 178.31 179.48 1ye2 h LYS 99 N 1.12 0.22 -0.08 1.51 1.57 -1.72 -0.89 116.57 118.30 1ye2 h LYS 99 Ca 0.27 -0.02 -0.19 0.00 -1.87 0.00 0.00 60.65 58.85 1ye2 h LYS 99 Cb 0.10 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.37 1ye2 h LYS 99 CO -0.04 0.16 -0.69 -0.07 -0.57 0.00 0.00 179.45 178.24 1ye2 h LEU 100 N 0.23 0.75 -0.51 2.94 3.38 -1.36 -1.95 115.31 118.79 1ye2 h LEU 100 Ca 0.06 -0.67 -0.07 0.00 0.09 0.00 0.00 57.88 57.28 1ye2 h LEU 100 Cb 0.00 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1ye2 h LEU 100 CO -0.01 1.31 0.04 0.25 0.09 0.00 0.00 178.44 180.12 1ye2 h LEU 101 N 0.25 0.84 -0.28 1.67 6.46 -1.27 -2.54 115.31 120.46 1ye2 h LEU 101 Ca -0.06 -0.29 0.05 0.00 -0.12 0.00 0.00 57.88 57.46 1ye2 h LEU 101 Cb 1.35 -0.23 -0.04 0.00 -0.73 0.00 0.00 40.66 41.01 1ye2 h LEU 101 CO 0.14 0.92 0.00 0.28 -0.62 0.00 0.00 178.44 179.16 1ye2 h SER 102 N 0.74 -0.11 -0.45 1.25 0.02 -1.14 -0.39 113.55 113.48 1ye2 h SER 102 Ca 0.15 0.06 0.02 0.00 -0.84 0.00 0.00 61.79 61.18 1ye2 h SER 102 Cb 0.47 0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.09 1ye2 h SER 102 CO 0.02 -0.02 0.27 -0.74 -1.14 0.00 0.00 176.83 175.22 1ye2 h HIS 103 N 0.08 0.51 -0.54 3.45 -0.00 -1.31 -1.43 115.15 115.91 1ye2 h HIS 103 Ca 0.13 0.01 -0.07 0.00 -0.00 0.00 0.00 60.37 60.45 1ye2 h HIS 103 Cb 0.17 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.39 1ye2 h HIS 103 CO -0.21 0.30 0.05 0.00 -0.00 0.00 0.00 177.93 178.07 1ye2 h LEU 105 N 0.83 1.05 -0.64 0.00 -0.00 -0.86 -1.01 115.31 114.68 1ye2 h LEU 105 Ca 0.17 -0.11 -0.08 0.00 -0.00 0.00 0.00 57.88 57.86 1ye2 h LEU 105 Cb 0.42 -0.27 -0.03 0.00 -0.00 0.00 0.00 40.66 40.78 1ye2 h LEU 105 CO 0.01 0.86 0.10 -0.07 -0.00 0.00 0.00 178.44 179.35 1ye2 h LEU 106 N 1.16 1.02 -0.41 1.67 3.38 -0.67 -0.80 115.31 120.66 1ye2 h LEU 106 Ca 0.29 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1ye2 h LEU 106 Cb 0.06 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1ye2 h LEU 106 CO -0.04 1.02 0.18 0.58 0.09 0.00 0.00 178.44 180.27 1ye2 h VAL 107 N 0.98 1.19 -0.48 1.22 2.07 -1.10 -0.79 116.25 119.34 1ye2 h VAL 107 Ca 0.19 -0.56 0.03 0.00 0.82 0.00 0.00 66.70 67.18 1ye2 h VAL 107 Cb 0.44 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1ye2 h VAL 107 CO 0.01 0.21 0.28 0.74 0.02 0.00 0.00 177.57 178.83 1ye2 h THR 108 N 0.51 1.03 -0.66 2.57 2.02 -0.89 -0.64 112.91 116.86 1ye2 h THR 108 Ca 0.14 -0.19 -0.04 0.00 0.77 0.00 0.00 66.41 67.09 1ye2 h THR 108 Cb 0.16 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 1ye2 h THR 108 CO -0.01 0.10 0.28 -0.07 0.37 0.00 0.00 175.52 176.18 1ye2 h LEU 109 N 0.55 0.90 -0.66 2.58 3.38 -1.00 -2.12 115.31 118.94 1ye2 h LEU 109 Ca 0.20 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1ye2 h LEU 109 Cb 0.04 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1ye2 h LEU 109 CO -0.10 0.82 0.37 0.00 0.09 0.00 0.00 178.44 179.62 1ye2 h ALA 110 N 1.12 0.84 0.00 1.53 0.00 -0.55 0.35 119.26 122.55 1ye2 h ALA 110 Ca 0.22 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 1ye2 h ALA 110 Cb 0.19 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1ye2 h ALA 110 CO -0.02 0.35 -0.19 0.00 0.00 0.00 0.00 179.25 179.39 1ye2 h ALA 111 N 1.18 1.18 0.00 0.00 0.00 -0.96 -3.30 119.26 117.36 1ye2 h ALA 111 Ca 0.23 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ye2 h ALA 111 Cb 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1ye2 h ALA 111 CO -0.04 0.23 -1.58 0.72 0.00 0.00 0.00 179.25 178.58 1ye2 n HIS 112 N -3.57 0.00 -3.12 0.00 8.25 -0.74 -4.73 115.22 111.30 1ye2 n HIS 112 Ca -0.01 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.22 1ye2 n HIS 112 Cb 0.33 -0.31 -0.04 0.00 1.12 0.00 0.00 29.99 31.08 1ye2 n HIS 112 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1ye2 n LEU 113 N -1.95 2.52 -0.09 2.41 4.77 0.04 -4.93 117.00 119.76 1ye2 n LEU 113 Ca -0.02 -5.29 0.06 0.00 -0.03 0.00 0.00 56.01 50.74 1ye2 n LEU 113 Cb 0.42 0.05 0.40 0.00 -2.33 0.00 0.00 43.42 41.96 1ye2 n LEU 113 CO 0.37 2.26 1.19 1.55 -1.33 0.00 0.00 177.39 181.43 1ye2 h PRO 114 N 3.26 0.61 -0.20 3.23 0.13 -1.82 -0.40 132.00 136.80 1ye2 h PRO 114 Ca 0.12 -0.04 -0.19 0.00 -0.87 0.00 0.00 66.00 65.02 1ye2 h PRO 114 Cb 0.74 -0.14 0.01 0.00 0.13 0.00 0.00 31.00 31.74 1ye2 h PRO 114 CO 0.66 0.40 -0.62 0.00 -0.23 0.00 0.00 178.00 178.22 1ye2 h ALA 115 N 1.67 0.35 0.00 -0.56 0.00 -1.93 -3.31 119.26 115.48 1ye2 h ALA 115 Ca 0.24 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1ye2 h ALA 115 Cb 0.16 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1ye2 h ALA 115 CO -0.07 0.61 -0.41 0.93 0.00 0.00 0.00 179.25 180.31 1ye2 h GLU 116 N 0.51 0.00 -3.10 0.00 3.07 -1.75 -3.40 114.58 109.91 1ye2 h GLU 116 Ca -0.02 0.00 -0.71 0.00 -0.50 0.00 0.00 59.36 58.13 1ye2 h GLU 116 Cb 1.24 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 29.11 1ye2 h GLU 116 CO 0.13 0.18 3.16 0.34 -1.40 0.00 0.00 179.01 181.43 1ye2 n PHE 117 N -3.07 2.70 -1.79 4.33 7.35 -0.24 -4.79 117.46 121.95 1ye2 n PHE 117 Ca 0.02 -2.97 -0.30 0.00 -0.76 0.00 0.00 57.45 53.44 1ye2 n PHE 117 Cb 0.62 -2.27 0.07 0.00 0.35 0.00 0.00 39.48 38.25 1ye2 n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1ye2 s THR 118 N 1.22 3.09 0.40 -2.13 -4.23 -1.26 -4.76 115.64 107.97 1ye2 s THR 118 Ca 0.59 0.35 0.13 0.00 -1.18 0.00 0.00 61.69 61.58 1ye2 s THR 118 Cb 0.17 -3.28 0.34 0.00 1.34 0.00 0.00 72.50 71.07 1ye2 s THR 118 CO -0.07 -0.46 1.90 -0.65 -0.54 0.00 0.00 174.62 174.80 1ye2 h PRO 119 N -0.86 0.50 -0.04 3.99 0.11 -1.99 0.48 132.00 134.20 1ye2 h PRO 119 Ca -0.46 -0.03 -0.21 0.00 0.11 0.00 0.00 66.00 65.42 1ye2 h PRO 119 Cb 1.27 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1ye2 h PRO 119 CO 0.63 0.33 -0.84 0.00 -0.21 0.00 0.00 178.00 177.91 1ye2 h ALA 120 N 1.63 0.47 -0.07 -0.75 0.00 -1.96 -2.41 119.26 116.17 1ye2 h ALA 120 Ca 0.39 -0.66 -0.22 0.00 0.00 0.00 0.00 54.91 54.42 1ye2 h ALA 120 Cb 0.79 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.54 1ye2 h ALA 120 CO -0.15 0.80 -0.86 0.28 0.00 0.00 0.00 179.25 179.32 1ye2 h VAL 121 N 0.25 1.33 -0.29 0.00 2.07 -1.73 -1.97 116.25 115.92 1ye2 h VAL 121 Ca -0.06 -2.19 0.02 0.00 0.82 0.00 0.00 66.70 65.30 1ye2 h VAL 121 Cb 1.45 2.20 -0.02 0.00 -1.52 0.00 0.00 31.29 33.40 1ye2 h VAL 121 CO 0.14 0.67 0.14 -0.74 0.02 0.00 0.00 177.57 177.80 1ye2 h HIS 122 N 0.37 0.25 -0.50 1.57 6.17 -0.92 -0.74 115.15 121.35 1ye2 h HIS 122 Ca -0.07 0.01 0.02 0.00 0.71 0.00 0.00 60.37 61.04 1ye2 h HIS 122 Cb 1.48 -0.07 -0.03 0.00 2.52 0.00 0.00 27.41 31.31 1ye2 h HIS 122 CO 0.07 0.13 0.31 0.00 0.71 0.00 0.00 177.93 179.16 1ye2 h ALA 123 N 1.15 0.64 -0.58 5.26 0.00 -1.25 -1.26 119.26 123.23 1ye2 h ALA 123 Ca 0.12 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 1ye2 h ALA 123 Cb 0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1ye2 h ALA 123 CO -0.09 0.03 -0.06 0.77 0.00 0.00 0.00 179.25 179.89 1ye2 h SER 124 N 0.62 1.05 -0.34 0.00 0.02 -0.92 -1.65 113.55 112.33 1ye2 h SER 124 Ca 0.20 -0.33 -0.09 0.00 -0.84 0.00 0.00 61.79 60.73 1ye2 h SER 124 Cb -0.01 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.23 1ye2 h SER 124 CO -0.08 1.13 -0.09 -0.07 -1.14 0.00 0.00 176.83 176.58 1ye2 h LEU 125 N 0.95 0.74 -0.25 5.07 3.38 -0.92 0.83 115.31 125.11 1ye2 h LEU 125 Ca 0.16 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1ye2 h LEU 125 Cb 0.63 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1ye2 h LEU 125 CO 0.04 0.87 0.06 -0.78 0.09 0.00 0.00 178.44 178.72 1ye2 h ASP 126 N 0.69 0.38 -0.66 -0.43 3.58 -0.93 0.24 116.42 119.30 1ye2 h ASP 126 Ca 0.12 -0.23 -0.03 0.00 0.42 0.00 0.00 57.03 57.31 1ye2 h ASP 126 Cb 0.56 -0.10 -0.03 0.00 1.72 0.00 0.00 39.33 41.48 1ye2 h ASP 126 CO 0.03 0.51 0.30 0.11 -2.88 0.00 0.00 179.24 177.31 1ye2 h LYS 127 N 0.24 0.96 -0.34 0.28 1.57 -1.14 -1.75 116.57 116.39 1ye2 h LYS 127 Ca 0.08 -0.15 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1ye2 h LYS 127 Cb 0.28 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1ye2 h LYS 127 CO 0.00 0.78 0.21 0.35 -0.57 0.00 0.00 179.45 180.22 1ye2 h PHE 128 N 0.91 0.40 -0.09 -1.35 3.57 -0.56 0.03 116.94 119.86 1ye2 h PHE 128 Ca 0.22 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.63 1ye2 h PHE 128 Cb 0.15 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 1ye2 h PHE 128 CO 0.01 0.24 -0.43 -0.07 -2.23 0.00 0.00 178.31 175.83 1ye2 h LEU 129 N 0.43 0.22 -0.53 0.59 3.38 -0.79 -0.79 115.31 117.83 1ye2 h LEU 129 Ca 0.13 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1ye2 h LEU 129 Cb -0.02 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 1ye2 h LEU 129 CO -0.05 0.63 0.19 0.00 0.09 0.00 0.00 178.44 179.30 1ye2 h ALA 130 N 1.38 0.69 -0.42 1.53 0.00 -1.06 -1.09 119.26 120.29 1ye2 h ALA 130 Ca 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1ye2 h ALA 130 Cb 0.84 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1ye2 h ALA 130 CO 0.07 0.33 0.22 0.77 0.00 0.00 0.00 179.25 180.63 1ye2 h SER 131 N 0.72 0.54 -0.80 0.00 0.02 -0.44 -0.85 113.55 112.75 1ye2 h SER 131 Ca 0.17 -0.11 0.05 0.00 -0.84 0.00 0.00 61.79 61.07 1ye2 h SER 131 Cb 0.24 -0.14 -0.06 0.00 0.14 0.00 0.00 62.40 62.59 1ye2 h SER 131 CO -0.01 0.49 0.49 0.58 -1.14 0.00 0.00 176.83 177.24 1ye2 h VAL 132 N 0.54 1.05 -0.43 2.27 2.07 -1.02 -1.66 116.25 119.07 1ye2 h VAL 132 Ca 0.15 -0.31 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 1ye2 h VAL 132 Cb 0.09 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 29.90 1ye2 h VAL 132 CO -0.02 0.17 0.14 0.28 0.02 0.00 0.00 177.57 178.16 1ye2 h SER 133 N 0.91 0.61 -0.33 0.57 0.02 -0.74 -1.02 113.55 113.57 1ye2 h SER 133 Ca 0.34 -0.19 0.05 0.00 -0.84 0.00 0.00 61.79 61.15 1ye2 h SER 133 Cb 0.13 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 62.47 1ye2 h SER 133 CO -0.16 0.64 0.05 0.74 -1.14 0.00 0.00 176.83 176.96 1ye2 h THR 134 N 0.55 0.81 -0.78 -2.27 2.02 -0.90 -1.10 112.91 111.24 1ye2 h THR 134 Ca 0.14 -0.05 0.01 0.00 0.77 0.00 0.00 66.41 67.27 1ye2 h THR 134 Cb 0.24 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.26 1ye2 h THR 134 CO -0.01 0.03 0.52 0.58 0.37 0.00 0.00 175.52 177.01 1ye2 h VAL 135 N 0.16 1.20 0.00 3.16 2.07 -0.99 -1.75 116.25 120.10 1ye2 h VAL 135 Ca 0.16 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.31 1ye2 h VAL 135 Cb 0.19 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.00 1ye2 h VAL 135 CO -0.22 0.19 0.00 -0.07 0.02 0.00 0.00 177.57 177.49 1ye2 h LEU 136 N 1.06 0.00 -3.04 2.57 3.38 -0.58 -2.89 115.31 115.81 1ye2 h LEU 136 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 1ye2 h LEU 136 Cb -0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.63 1ye2 h LEU 136 CO -0.06 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.82 1ye2 n THR 137 N -2.83 1.52 0.26 0.22 -2.24 -0.47 -4.55 114.28 106.19 1ye2 n THR 137 Ca 0.02 -1.38 0.14 0.00 -2.27 0.00 0.00 64.05 60.56 1ye2 n THR 137 Cb 0.32 0.19 0.36 0.00 -2.10 0.00 0.00 70.33 69.09 1ye2 n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1ye2 h SER 138 N 1.74 0.00 -0.50 3.42 4.64 -1.11 -3.17 113.55 118.57 1ye2 h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ye2 h SER 138 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1ye2 h SER 138 CO 0.08 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.33 1ye2 n LYS 139 N -3.05 3.42 0.15 4.77 5.02 -1.26 -4.67 118.16 122.54 1ye2 n LYS 139 Ca 0.03 -2.71 0.04 0.00 -2.02 0.00 0.00 58.31 53.64 1ye2 n LYS 139 Cb 0.45 -1.76 0.43 0.00 -0.02 0.00 0.00 35.03 34.13 1ye2 n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1ye2 h TYR 140 N 3.18 0.17 0.00 2.13 0.99 -1.87 -3.46 116.97 118.10 1ye2 h TYR 140 Ca 0.00 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.71 1ye2 h TYR 140 Cb 1.31 -0.05 0.00 0.00 1.00 0.00 0.00 36.73 38.99 1ye2 h TYR 140 CO 0.61 0.30 0.00 2.89 -0.00 0.00 0.00 178.16 181.95