#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yeo s LEU 2 N 0.00 4.00 0.87 7.52 1.43 -1.26 -5.04 118.68 126.19 1yeo s LEU 2 Ca 0.00 0.40 -0.13 0.00 -1.03 0.00 0.00 54.13 53.38 1yeo s LEU 2 Cb 0.00 -3.23 0.12 0.00 0.03 0.00 0.00 46.19 43.11 1yeo s LEU 2 CO 0.00 -0.92 1.18 -0.94 0.23 0.00 0.00 176.35 175.90 1yeo s SER 3 N 2.02 3.93 0.24 2.29 1.04 -1.26 -4.84 113.70 117.12 1yeo s SER 3 Ca 0.37 0.77 -0.05 0.00 0.48 0.00 0.00 55.95 57.53 1yeo s SER 3 Cb -0.11 -1.23 0.34 0.00 0.10 0.00 0.00 66.02 65.11 1yeo s SER 3 CO 0.22 -2.27 1.86 -0.65 0.98 0.00 0.00 173.24 173.37 1yeo h PRO 4 N -1.31 0.97 -0.53 4.02 0.11 -2.00 -1.49 132.00 131.77 1yeo h PRO 4 Ca -0.47 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.50 1yeo h PRO 4 Cb 1.32 -0.22 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1yeo h PRO 4 CO 0.61 0.64 0.01 0.00 -0.21 0.00 0.00 178.00 179.05 1yeo h ALA 5 N 1.41 0.71 -0.52 -0.75 0.00 -1.99 -2.02 119.26 116.10 1yeo h ALA 5 Ca 0.38 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1yeo h ALA 5 Cb 0.17 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 1yeo h ALA 5 CO -0.17 0.52 0.27 -0.44 0.00 0.00 0.00 179.25 179.43 1yeo h ASP 6 N 0.80 0.41 -0.59 0.00 3.32 -1.73 -0.67 116.42 117.97 1yeo h ASP 6 Ca 0.15 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 1yeo h ASP 6 Cb 0.51 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.98 1yeo h ASP 6 CO 0.02 0.28 0.23 0.11 -1.72 0.00 0.00 179.24 178.16 1yeo h LYS 7 N 0.54 0.89 -0.83 3.56 1.57 -1.02 0.81 116.57 122.08 1yeo h LYS 7 Ca 0.23 -0.16 0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1yeo h LYS 7 Cb 0.11 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 32.23 1yeo h LYS 7 CO -0.15 0.76 0.53 1.15 -0.57 0.00 0.00 179.45 181.18 1yeo h THR 8 N 0.82 1.12 -0.21 -0.16 2.02 -1.09 0.30 112.91 115.71 1yeo h THR 8 Ca 0.20 -0.35 -0.03 0.00 0.77 0.00 0.00 66.41 66.99 1yeo h THR 8 Cb 0.21 0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.62 1yeo h THR 8 CO -0.01 0.19 0.02 0.78 0.37 0.00 0.00 175.52 176.86 1yeo h ASN 9 N 1.03 0.35 -0.47 4.18 -0.26 -0.16 -1.40 115.58 118.84 1yeo h ASN 9 Ca 0.33 -0.28 -0.01 0.00 -0.56 0.00 0.00 56.30 55.78 1yeo h ASN 9 Cb 0.02 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 37.16 1yeo h ASN 9 CO -0.12 0.55 0.24 0.58 -1.06 0.00 0.00 177.43 177.62 1yeo h VAL 10 N 0.14 1.18 -0.66 2.81 2.07 -0.62 -1.26 116.25 119.91 1yeo h VAL 10 Ca 0.06 -0.49 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 1yeo h VAL 10 Cb 0.36 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 1yeo h VAL 10 CO 0.01 0.20 0.32 0.11 0.02 0.00 0.00 177.57 178.22 1yeo h LYS 11 N 0.62 0.95 -0.48 1.57 1.57 -0.82 -0.68 116.57 119.31 1yeo h LYS 11 Ca 0.16 -0.14 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 1yeo h LYS 11 Cb 0.09 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1yeo h LYS 11 CO -0.02 0.76 -0.14 0.00 -0.57 0.00 0.00 179.45 179.48 1yeo h ALA 12 N 1.14 0.66 -0.11 3.86 0.00 -1.13 -0.68 119.26 123.01 1yeo h ALA 12 Ca 0.23 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1yeo h ALA 12 Cb 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1yeo h ALA 12 CO -0.03 0.59 -0.35 0.00 0.00 0.00 0.00 179.25 179.46 1yeo h ALA 13 N 0.88 0.19 -0.19 0.00 0.00 -1.03 -2.66 119.26 116.46 1yeo h ALA 13 Ca 0.12 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 1yeo h ALA 13 Cb 0.70 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1yeo h ALA 13 CO 0.05 0.26 -0.14 2.35 0.00 0.00 0.00 179.25 181.78 1yeo h TRP 14 N 0.01 0.32 -0.12 0.00 2.91 -1.16 -2.07 115.95 115.84 1yeo h TRP 14 Ca -0.01 -0.04 0.05 0.00 1.13 0.00 0.00 58.89 60.01 1yeo h TRP 14 Cb 0.97 -0.09 -0.06 0.00 -0.51 0.00 0.00 29.16 29.48 1yeo h TRP 14 CO 0.11 0.43 -0.26 0.78 -1.03 0.00 0.00 178.44 178.48 1yeo h GLY 15 N 0.81 -0.29 2.00 2.65 0.00 -1.05 -1.29 103.07 105.89 1yeo h GLY 15 Ca 0.06 0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1yeo h GLY 15 CO 0.02 -0.20 0.00 0.28 0.00 0.00 0.00 176.54 176.64 1yeo n LYS 16 N -5.38 0.00 -0.03 4.80 4.76 -0.81 -1.81 118.16 119.69 1yeo n LYS 16 Ca -0.03 0.30 -0.15 0.00 -2.87 0.00 0.00 58.31 55.57 1yeo n LYS 16 Cb 0.29 -1.50 -0.09 0.00 -1.84 0.00 0.00 35.03 31.89 1yeo n LYS 16 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1yeo h VAL 17 N 0.00 1.42 0.00 -0.18 2.07 -0.89 -3.48 116.25 115.20 1yeo h VAL 17 Ca 0.00 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 65.84 1yeo h VAL 17 Cb 0.20 2.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1yeo h VAL 17 CO 0.00 0.48 0.00 0.61 0.02 0.00 0.00 177.57 178.68 1yeo n GLY 18 N 0.65 3.27 0.00 2.17 0.00 -0.75 -1.99 105.19 108.54 1yeo n GLY 18 Ca -0.08 0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.08 1yeo n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yeo n ALA 19 N 10.49 2.59 0.85 4.61 0.00 -1.26 -2.85 120.51 134.94 1yeo n ALA 19 Ca 0.00 -0.14 0.11 0.00 0.00 0.00 0.00 53.44 53.41 1yeo n ALA 19 Cb 0.00 -1.37 0.11 0.00 0.00 0.00 0.00 19.45 18.19 1yeo n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yeo n HIS 20 N -0.87 0.11 -0.39 0.00 -0.00 -0.84 -4.54 115.22 108.68 1yeo n HIS 20 Ca 0.17 0.03 -0.10 0.00 -0.00 0.00 0.00 57.72 57.82 1yeo n HIS 20 Cb 0.08 -0.28 -0.08 0.00 -0.00 0.00 0.00 29.99 29.71 1yeo n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1yeo h ALA 21 N 2.84 -0.47 -0.71 -1.41 0.00 -1.63 0.23 119.26 118.12 1yeo h ALA 21 Ca 0.00 0.13 0.14 0.00 0.00 0.00 0.00 54.91 55.19 1yeo h ALA 21 Cb 0.58 1.30 -0.13 0.00 0.00 0.00 0.00 17.79 19.54 1yeo h ALA 21 CO 0.00 -0.93 -0.15 0.78 0.00 0.00 0.00 179.25 178.95 1yeo h GLY 22 N -0.03 0.55 1.21 0.00 0.00 -1.84 0.15 103.07 103.11 1yeo h GLY 22 Ca 0.18 0.22 -0.04 0.00 0.00 0.00 0.00 47.33 47.69 1yeo h GLY 22 CO -0.92 -0.27 0.28 1.05 0.00 0.00 0.00 176.54 176.69 1yeo h GLU 23 N 0.01 1.01 -0.36 4.80 4.11 -0.92 -2.10 114.58 121.13 1yeo h GLU 23 Ca 0.35 -0.16 -0.13 0.00 0.07 0.00 0.00 59.36 59.48 1yeo h GLU 23 Cb 0.54 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1yeo h GLU 23 CO -0.72 0.81 -0.31 1.88 0.07 0.00 0.00 179.01 180.75 1yeo h TYR 24 N 0.99 0.91 -0.25 2.06 -1.99 0.51 -1.09 116.97 118.11 1yeo h TYR 24 Ca 0.23 -0.24 -0.07 0.00 2.00 0.00 0.00 58.73 60.65 1yeo h TYR 24 Cb 0.18 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 38.69 1yeo h TYR 24 CO 0.01 0.99 -0.15 0.78 -0.00 0.00 0.00 178.16 179.79 1yeo h GLY 25 N 0.94 0.47 1.01 3.88 0.00 -0.59 0.59 103.07 109.36 1yeo h GLY 25 Ca 0.07 -0.33 -0.18 0.00 0.00 0.00 0.00 47.33 46.90 1yeo h GLY 25 CO 0.07 0.30 -0.60 0.00 0.00 0.00 0.00 176.54 176.32 1yeo h ALA 26 N 1.44 0.26 -0.70 3.60 0.00 -1.08 -2.10 119.26 120.69 1yeo h ALA 26 Ca 0.07 -0.54 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 1yeo h ALA 26 Cb 0.51 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1yeo h ALA 26 CO 0.03 0.51 0.19 1.49 0.00 0.00 0.00 179.25 181.47 1yeo h GLU 27 N 0.32 1.10 -0.84 0.00 4.81 -0.97 -2.13 114.58 116.86 1yeo h GLU 27 Ca -0.04 -0.25 0.03 0.00 -0.13 0.00 0.00 59.36 58.98 1yeo h GLU 27 Cb 1.23 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 30.41 1yeo h GLU 27 CO 0.13 0.96 0.54 0.00 -0.73 0.00 0.00 179.01 179.90 1yeo h ALA 28 N 1.15 1.09 -0.55 2.92 0.00 -0.73 0.89 119.26 124.04 1yeo h ALA 28 Ca 0.22 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 1yeo h ALA 28 Cb 0.34 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1yeo h ALA 28 CO -0.00 0.39 -0.08 -0.07 0.00 0.00 0.00 179.25 179.50 1yeo h LEU 29 N 1.07 0.99 -0.26 0.00 3.38 -1.14 -1.10 115.31 118.25 1yeo h LEU 29 Ca 0.33 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1yeo h LEU 29 Cb -0.03 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1yeo h LEU 29 CO -0.10 1.09 -0.05 -0.08 0.09 0.00 0.00 178.44 179.39 1yeo h GLU 30 N 0.90 0.50 -1.00 1.13 4.81 -0.78 -0.66 114.58 119.46 1yeo h GLU 30 Ca 0.15 -0.18 0.13 0.00 -0.13 0.00 0.00 59.36 59.32 1yeo h GLU 30 Cb 0.63 -0.03 -0.09 0.00 0.63 0.00 0.00 28.75 29.89 1yeo h GLU 30 CO 0.04 0.70 0.63 0.00 -0.73 0.00 0.00 179.01 179.65 1yeo h ARG 31 N 0.25 0.95 -0.18 1.92 3.08 -0.66 -1.88 114.38 117.85 1yeo h ARG 31 Ca 0.07 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 1yeo h ARG 31 Cb 0.51 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.34 1yeo h ARG 31 CO 0.02 0.63 -0.19 1.98 -1.07 0.00 0.00 179.97 181.34 1yeo h MET 32 N 0.97 0.44 -0.80 0.04 4.05 -0.67 -0.75 114.93 118.21 1yeo h MET 32 Ca 0.50 -0.24 0.05 0.00 -0.28 0.00 0.00 59.70 59.73 1yeo h MET 32 Cb 0.53 0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 31.29 1yeo h MET 32 CO -0.27 0.81 0.53 0.74 0.23 0.00 0.00 176.91 178.94 1yeo h PHE 33 N 0.09 0.93 0.14 1.39 0.04 -0.90 0.65 116.94 119.28 1yeo h PHE 33 Ca 0.03 0.02 -0.21 0.00 2.80 0.00 0.00 57.97 60.61 1yeo h PHE 33 Cb 0.74 -0.31 0.02 0.00 2.20 0.00 0.00 35.95 38.60 1yeo h PHE 33 CO 0.08 0.52 -0.97 -0.07 -0.60 0.00 0.00 178.31 177.27 1yeo h LEU 34 N 0.94 0.46 -0.21 1.54 3.38 -1.31 -3.28 115.31 116.83 1yeo h LEU 34 Ca 0.33 -0.93 -0.22 0.00 0.09 0.00 0.00 57.88 57.16 1yeo h LEU 34 Cb 0.12 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 1yeo h LEU 34 CO -0.11 1.45 -0.92 0.28 0.09 0.00 0.00 178.44 179.24 1yeo h SER 35 N -0.35 0.45 -2.71 -0.43 0.02 -1.07 -3.39 113.55 106.08 1yeo h SER 35 Ca -0.18 -0.36 -0.60 0.00 -0.84 0.00 0.00 61.79 59.80 1yeo h SER 35 Cb 1.68 -0.14 -0.40 0.00 0.14 0.00 0.00 62.40 63.68 1yeo h SER 35 CO 0.13 1.16 -0.77 0.49 -1.14 0.00 0.00 176.83 176.70 1yeo n PHE 36 N -3.72 1.25 0.29 3.45 3.72 0.22 -4.99 117.46 117.67 1yeo n PHE 36 Ca -0.06 -3.83 0.18 0.00 -0.05 0.00 0.00 57.45 53.70 1yeo n PHE 36 Cb 0.82 -0.20 0.97 0.00 -0.94 0.00 0.00 39.48 40.13 1yeo n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1yeo h PRO 37 N 5.44 0.00 0.00 -1.08 0.11 -1.74 -1.78 132.00 132.96 1yeo h PRO 37 Ca 0.21 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.31 1yeo h PRO 37 Cb 0.83 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.93 1yeo h PRO 37 CO 0.55 0.00 -0.04 1.79 -0.21 0.00 0.00 178.00 180.09 1yeo h THR 38 N 0.00 0.22 0.00 -1.15 1.35 -1.91 -1.94 112.91 109.47 1yeo h THR 38 Ca 0.03 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1yeo h THR 38 Cb 0.29 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 1yeo h THR 38 CO -0.00 0.04 0.00 0.35 -0.25 0.00 0.00 175.52 175.66 1yeo n THR 39 N -3.31 0.92 0.26 6.82 -2.24 -0.67 -2.57 114.28 113.49 1yeo n THR 39 Ca -0.02 0.33 0.16 0.00 -2.27 0.00 0.00 64.05 62.25 1yeo n THR 39 Cb 0.19 -1.26 0.53 0.00 -2.10 0.00 0.00 70.33 67.69 1yeo n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1yeo h LYS 40 N 0.00 0.00 -0.09 -0.78 1.57 -1.57 -2.89 116.57 112.81 1yeo h LYS 40 Ca 0.00 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.81 1yeo h LYS 40 Cb 0.28 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 1yeo h LYS 40 CO 0.00 0.00 0.13 1.79 -0.57 0.00 0.00 179.45 180.80 1yeo h THR 41 N 0.00 0.37 -0.00 -0.16 1.35 -1.69 0.23 112.91 113.00 1yeo h THR 41 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1yeo h THR 41 Cb 0.66 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 67.97 1yeo h THR 41 CO 0.00 0.00 -0.16 -1.22 -0.25 0.00 0.00 175.52 173.89 1yeo n TYR 42 N -3.62 0.00 -2.50 4.73 4.01 -1.09 -4.21 117.16 114.48 1yeo n TYR 42 Ca -0.01 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.55 1yeo n TYR 42 Cb 0.23 -0.38 0.02 0.00 -0.31 0.00 0.00 39.34 38.89 1yeo n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1yeo n PHE 43 N -1.44 2.47 0.19 -0.72 3.01 0.80 -4.87 117.46 116.90 1yeo n PHE 43 Ca 0.08 -2.80 0.03 0.00 1.01 0.00 0.00 57.45 55.77 1yeo n PHE 43 Cb 0.33 -0.22 0.37 0.00 -0.01 0.00 0.00 39.48 39.95 1yeo n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1yeo h PRO 44 N 2.64 0.00 0.00 -1.08 0.13 -1.72 -2.02 132.00 129.95 1yeo h PRO 44 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1yeo h PRO 44 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1yeo h PRO 44 CO 0.67 0.37 0.00 -2.39 -0.23 0.00 0.00 178.00 176.42 1yeo n HIS 45 N -4.01 0.00 -3.48 1.56 1.44 -1.26 -4.82 115.22 104.65 1yeo n HIS 45 Ca -0.02 0.00 -0.32 0.00 -2.01 0.00 0.00 57.72 55.37 1yeo n HIS 45 Cb 0.41 -0.28 -0.05 0.00 0.12 0.00 0.00 29.99 30.19 1yeo n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1yeo s PHE 46 N -2.57 3.44 -0.36 -1.40 0.40 -0.76 -5.05 117.98 111.68 1yeo s PHE 46 Ca 0.24 0.80 -0.29 0.00 -0.60 0.00 0.00 56.93 57.08 1yeo s PHE 46 Cb 0.17 -2.20 0.02 0.00 0.51 0.00 0.00 43.02 41.51 1yeo s PHE 46 CO 0.39 0.31 1.17 0.34 0.70 0.00 0.00 175.22 178.13 1yeo s ASP 47 N -2.36 6.75 -0.25 1.36 -1.08 -1.26 -4.94 116.67 114.88 1yeo s ASP 47 Ca 0.46 0.92 0.13 0.00 -0.52 0.00 0.00 52.55 53.54 1yeo s ASP 47 Cb -0.11 -2.54 0.69 0.00 -1.46 0.00 0.00 42.92 39.49 1yeo s ASP 47 CO 0.22 -1.07 1.65 0.18 0.52 0.00 0.00 175.17 176.67 1yeo n LEU 48 N 7.45 5.19 -4.90 -1.34 4.77 -1.26 -4.46 117.00 122.45 1yeo n LEU 48 Ca 0.13 -3.12 -0.28 0.00 -0.03 0.00 0.00 56.01 52.70 1yeo n LEU 48 Cb 0.48 -0.66 0.01 0.00 -2.33 0.00 0.00 43.42 40.92 1yeo n LEU 48 CO 0.64 0.75 0.55 -0.94 -1.33 0.00 0.00 177.39 177.06 1yeo s SER 49 N -1.36 6.02 0.03 -1.43 1.04 -1.26 -4.95 113.70 111.79 1yeo s SER 49 Ca 0.50 0.99 -0.31 0.00 0.48 0.00 0.00 55.95 57.62 1yeo s SER 49 Cb 0.40 -2.13 -0.09 0.00 0.10 0.00 0.00 66.02 64.30 1yeo s SER 49 CO 0.12 -0.82 1.95 1.57 0.98 0.00 0.00 173.24 177.04 1yeo n HIS 50 N -2.50 2.51 -0.02 5.02 -0.00 -1.26 -1.00 115.22 117.97 1yeo n HIS 50 Ca 0.03 -0.32 0.00 0.00 0.46 0.00 0.00 57.72 57.89 1yeo n HIS 50 Cb 0.56 -2.79 0.00 0.00 -0.12 0.00 0.00 29.99 27.64 1yeo n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1yeo n GLY 51 N 4.51 0.64 3.51 1.57 0.00 -1.26 -5.01 105.19 109.15 1yeo n GLY 51 Ca 0.20 0.00 -0.60 0.00 0.00 0.00 0.00 46.02 45.62 1yeo n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yeo n SER 52 N 0.00 0.31 0.21 1.61 2.88 -0.17 -4.80 113.62 113.67 1yeo n SER 52 Ca 0.00 1.15 0.08 0.00 -1.33 0.00 0.00 58.87 58.77 1yeo n SER 52 Cb 0.00 -0.89 0.46 0.00 -0.75 0.00 0.00 64.21 63.03 1yeo n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yeo h ALA 53 N 3.47 1.13 -0.49 -1.46 0.00 -1.90 -2.23 119.26 117.78 1yeo h ALA 53 Ca -0.48 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.07 1yeo h ALA 53 Cb 1.39 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1yeo h ALA 53 CO 0.73 0.35 -0.08 0.37 0.00 0.00 0.00 179.25 180.62 1yeo h GLN 54 N 0.00 0.92 -0.50 0.00 4.15 -1.87 -1.14 115.11 116.67 1yeo h GLN 54 Ca -0.00 -0.33 -0.09 0.00 0.77 0.00 0.00 58.65 59.00 1yeo h GLN 54 Cb 0.69 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 28.30 1yeo h GLN 54 CO 0.04 0.99 -0.02 0.28 -1.93 0.00 0.00 178.83 178.18 1yeo h VAL 55 N 0.78 1.26 -0.26 2.39 2.07 -1.64 -0.06 116.25 120.79 1yeo h VAL 55 Ca 0.13 -1.11 -0.02 0.00 0.82 0.00 0.00 66.70 66.52 1yeo h VAL 55 Cb 0.62 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1yeo h VAL 55 CO 0.04 0.39 0.10 0.11 0.02 0.00 0.00 177.57 178.23 1yeo h LYS 56 N 0.76 0.39 -0.99 1.57 1.79 -1.46 0.93 116.57 119.57 1yeo h LYS 56 Ca 0.14 -0.07 0.04 0.00 -2.18 0.00 0.00 60.65 58.58 1yeo h LYS 56 Cb 0.55 -0.06 -0.06 0.00 -1.58 0.00 0.00 32.23 31.07 1yeo h LYS 56 CO 0.03 0.43 0.64 0.78 -1.08 0.00 0.00 179.45 180.26 1yeo h GLY 57 N 0.27 1.46 1.10 3.86 0.00 -0.96 -1.13 103.07 107.67 1yeo h GLY 57 Ca 0.09 -0.49 -0.25 0.00 0.00 0.00 0.00 47.33 46.68 1yeo h GLY 57 CO -0.01 0.40 -0.98 0.84 0.00 0.00 0.00 176.54 176.79 1yeo h HIS 58 N 1.23 0.93 -0.99 5.60 -0.00 -0.92 -2.87 115.15 118.13 1yeo h HIS 58 Ca 0.40 -0.53 0.15 0.00 -0.00 0.00 0.00 60.37 60.39 1yeo h HIS 58 Cb 0.05 -0.10 -0.09 0.00 -0.00 0.00 0.00 27.41 27.27 1yeo h HIS 58 CO -0.00 1.36 0.62 0.78 -0.00 0.00 0.00 177.93 180.69 1yeo h GLY 59 N 0.23 1.60 1.00 5.26 0.00 -0.46 0.93 103.07 111.62 1yeo h GLY 59 Ca -0.13 -0.38 -0.05 0.00 0.00 0.00 0.00 47.33 46.77 1yeo h GLY 59 CO 0.19 0.08 0.15 1.70 0.00 0.00 0.00 176.54 178.66 1yeo h LYS 60 N 0.86 0.88 -0.41 4.80 3.64 -1.13 -1.46 116.57 123.74 1yeo h LYS 60 Ca 0.52 -0.20 -0.05 0.00 -1.27 0.00 0.00 60.65 59.64 1yeo h LYS 60 Cb 0.68 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 1yeo h LYS 60 CO -0.29 0.81 0.04 0.87 -2.27 0.00 0.00 179.45 178.61 1yeo h LYS 61 N 0.78 0.65 -0.38 1.90 1.57 -0.70 -1.34 116.57 119.05 1yeo h LYS 61 Ca 0.18 -0.14 -0.11 0.00 -1.87 0.00 0.00 60.65 58.70 1yeo h LYS 61 Cb 0.32 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1yeo h LYS 61 CO -0.00 0.64 -0.21 0.28 -0.57 0.00 0.00 179.45 179.59 1yeo h VAL 62 N 0.62 1.28 -0.47 0.50 2.07 -0.54 -2.60 116.25 117.12 1yeo h VAL 62 Ca 0.13 -1.35 -0.08 0.00 0.82 0.00 0.00 66.70 66.22 1yeo h VAL 62 Cb 0.34 1.34 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1yeo h VAL 62 CO 0.01 0.45 -0.05 0.00 0.02 0.00 0.00 177.57 178.00 1yeo h ALA 63 N 0.79 1.04 -0.42 1.67 0.00 -0.97 -2.38 119.26 118.99 1yeo h ALA 63 Ca 0.08 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.60 1yeo h ALA 63 Cb 0.77 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 1yeo h ALA 63 CO 0.06 0.59 -0.13 -0.44 0.00 0.00 0.00 179.25 179.33 1yeo h ASP 64 N 0.74 0.76 -0.81 0.00 3.32 -1.11 -0.50 116.42 118.82 1yeo h ASP 64 Ca 0.13 -0.24 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 1yeo h ASP 64 Cb 0.52 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.83 1yeo h ASP 64 CO 0.03 0.91 0.37 0.00 -1.72 0.00 0.00 179.24 178.83 1yeo h ALA 65 N 1.16 1.12 -0.25 3.45 0.00 -1.22 -0.95 119.26 122.56 1yeo h ALA 65 Ca 0.11 -0.17 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1yeo h ALA 65 Cb 0.62 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1yeo h ALA 65 CO 0.04 0.65 -0.22 -0.07 0.00 0.00 0.00 179.25 179.65 1yeo h LEU 66 N 1.17 0.63 -0.80 0.00 3.38 -1.05 -1.29 115.31 117.36 1yeo h LEU 66 Ca 0.28 -0.46 0.11 0.00 0.09 0.00 0.00 57.88 57.90 1yeo h LEU 66 Cb 0.15 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 40.64 1yeo h LEU 66 CO -0.03 0.96 0.42 0.74 0.09 0.00 0.00 178.44 180.62 1yeo h THR 67 N 0.31 0.82 -0.17 0.22 2.02 -0.93 0.59 112.91 115.78 1yeo h THR 67 Ca 0.04 -0.23 -0.09 0.00 0.77 0.00 0.00 66.41 66.90 1yeo h THR 67 Cb 0.77 0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1yeo h THR 67 CO 0.06 0.12 -0.31 -1.13 0.37 0.00 0.00 175.52 174.63 1yeo h ASN 68 N 0.66 0.33 -0.44 4.18 -1.24 -1.02 -0.87 115.58 117.18 1yeo h ASN 68 Ca 0.41 -0.12 -0.07 0.00 0.71 0.00 0.00 56.30 57.23 1yeo h ASN 68 Cb 0.47 -0.09 -0.02 0.00 0.73 0.00 0.00 38.32 39.42 1yeo h ASN 68 CO -0.30 0.63 -0.01 0.00 -1.29 0.00 0.00 177.43 176.47 1yeo h ALA 69 N 1.39 0.59 -0.51 1.57 0.00 -0.00 -1.95 119.26 120.35 1yeo h ALA 69 Ca 0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1yeo h ALA 69 Cb 0.70 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1yeo h ALA 69 CO 0.05 0.39 0.23 0.28 0.00 0.00 0.00 179.25 180.21 1yeo h VAL 70 N 0.62 1.20 0.00 0.00 2.07 -0.69 -1.71 116.25 117.75 1yeo h VAL 70 Ca 0.12 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 1yeo h VAL 70 Cb 0.51 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1yeo h VAL 70 CO 0.02 0.23 -0.05 0.00 0.02 0.00 0.00 177.57 177.79 1yeo h ALA 71 N 1.07 1.75 -1.27 1.67 0.00 -1.03 -2.73 119.26 118.72 1yeo h ALA 71 Ca 0.17 -0.05 -0.59 0.00 0.00 0.00 0.00 54.91 54.45 1yeo h ALA 71 Cb 0.15 -0.01 -0.41 0.00 0.00 0.00 0.00 17.79 17.51 1yeo h ALA 71 CO -0.02 0.06 -0.63 0.72 0.00 0.00 0.00 179.25 179.38 1yeo n HIS 72 N -4.23 3.21 0.31 0.00 8.25 -0.74 -4.86 115.22 117.15 1yeo n HIS 72 Ca -0.03 -2.83 0.17 0.00 -0.26 0.00 0.00 57.72 54.77 1yeo n HIS 72 Cb 0.13 -0.24 0.98 0.00 1.12 0.00 0.00 29.99 31.99 1yeo n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1yeo h VAL 73 N 2.41 0.39 -0.02 1.59 3.04 -1.00 -1.26 116.25 121.40 1yeo h VAL 73 Ca 0.34 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.99 1yeo h VAL 73 Cb 1.04 1.03 0.00 0.00 -2.01 0.00 0.00 31.29 31.35 1yeo h VAL 73 CO 0.87 0.01 -0.02 0.47 -1.01 0.00 0.00 177.57 177.89 1yeo n ASP 74 N -3.64 1.62 -2.78 3.17 8.00 -1.26 -4.29 116.55 117.37 1yeo n ASP 74 Ca -0.03 -1.51 -0.01 0.00 0.71 0.00 0.00 54.79 53.94 1yeo n ASP 74 Cb 0.09 0.01 0.07 0.00 -0.02 0.00 0.00 41.12 41.27 1yeo n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1yeo n ASP 75 N 0.24 0.70 -0.30 -2.24 2.03 -0.50 -4.97 116.55 111.50 1yeo n ASP 75 Ca 0.18 -2.12 0.01 0.00 0.52 0.00 0.00 54.79 53.38 1yeo n ASP 75 Cb 0.38 -0.15 0.15 0.00 -0.72 0.00 0.00 41.12 40.78 1yeo n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1yeo h MET 76 N 2.20 0.90 -0.37 -0.67 2.86 -1.68 -0.99 114.93 117.19 1yeo h MET 76 Ca -0.22 -0.05 0.09 0.00 -2.06 0.00 0.00 59.70 57.45 1yeo h MET 76 Cb 1.27 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.71 1yeo h MET 76 CO 0.10 0.59 0.26 -1.35 1.06 0.00 0.00 176.91 177.57 1yeo h PRO 77 N 0.93 0.09 0.06 -0.22 0.11 -1.93 -0.44 132.00 130.59 1yeo h PRO 77 Ca 0.38 -0.01 -0.36 0.00 0.11 0.00 0.00 66.00 66.12 1yeo h PRO 77 Cb 0.22 -0.02 -0.04 0.00 0.11 0.00 0.00 31.00 31.26 1yeo h PRO 77 CO -0.19 0.06 -2.13 0.09 -0.21 0.00 0.00 178.00 175.62 1yeo n ASN 78 N -4.45 1.71 0.23 -2.05 3.02 -0.90 -3.50 115.26 109.31 1yeo n ASN 78 Ca 0.05 0.12 0.07 0.00 -0.03 0.00 0.00 54.58 54.80 1yeo n ASN 78 Cb 0.38 -0.45 0.53 0.00 -0.61 0.00 0.00 39.78 39.63 1yeo n ASN 78 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1yeo h ALA 79 N 0.27 1.46 -0.59 5.41 0.00 -0.90 -2.64 119.26 122.29 1yeo h ALA 79 Ca -0.46 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1yeo h ALA 79 Cb 2.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.77 1yeo h ALA 79 CO 0.03 0.27 0.00 1.28 0.00 0.00 0.00 179.25 180.83 1yeo n LEU 80 N -4.02 3.57 -0.13 0.00 4.77 -0.20 -4.71 117.00 116.27 1yeo n LEU 80 Ca -0.02 -2.00 -0.04 0.00 -0.03 0.00 0.00 56.01 53.91 1yeo n LEU 80 Cb 0.29 -0.39 0.02 0.00 -2.33 0.00 0.00 43.42 41.01 1yeo n LEU 80 CO 0.35 0.89 0.79 -1.28 -1.33 0.00 0.00 177.39 176.81 1yeo h SER 81 N 3.42 -0.38 -1.00 -1.43 0.87 -1.50 0.12 113.55 113.65 1yeo h SER 81 Ca 0.00 0.13 0.01 0.00 -1.23 0.00 0.00 61.79 60.70 1yeo h SER 81 Cb 0.89 0.26 -0.05 0.00 -0.44 0.00 0.00 62.40 63.06 1yeo h SER 81 CO 0.00 -0.13 0.66 0.00 -0.53 0.00 0.00 176.83 176.83 1yeo h ALA 82 N 1.43 1.29 0.00 6.23 0.00 -1.84 -2.15 119.26 124.22 1yeo h ALA 82 Ca 0.21 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 1yeo h ALA 82 Cb 0.31 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1yeo h ALA 82 CO -0.44 0.66 -0.32 -0.07 0.00 0.00 0.00 179.25 179.09 1yeo h LEU 83 N 1.35 0.00 -0.02 0.00 3.38 -1.19 -2.15 115.31 116.68 1yeo h LEU 83 Ca 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 1yeo h LEU 83 Cb -0.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.59 1yeo h LEU 83 CO -0.08 0.32 -0.03 -1.28 0.09 0.00 0.00 178.44 177.46 1yeo h SER 84 N 0.00 0.06 -0.45 -0.43 0.87 -0.57 -2.01 113.55 111.02 1yeo h SER 84 Ca -0.00 -0.52 0.07 0.00 -1.23 0.00 0.00 61.79 60.11 1yeo h SER 84 Cb 0.87 -0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 62.75 1yeo h SER 84 CO 0.04 0.57 0.09 0.44 -0.53 0.00 0.00 176.83 177.43 1yeo h ASP 85 N -0.45 -0.00 -0.10 6.23 3.32 -1.25 -0.30 116.42 123.86 1yeo h ASP 85 Ca 0.00 0.08 0.03 0.00 0.02 0.00 0.00 57.03 57.16 1yeo h ASP 85 Cb 0.55 0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.18 1yeo h ASP 85 CO 0.01 0.03 -0.11 0.25 -1.72 0.00 0.00 179.24 177.70 1yeo h LEU 86 N 0.22 -0.33 -0.09 1.55 6.46 -1.35 0.13 115.31 121.90 1yeo h LEU 86 Ca 0.22 0.06 -0.13 0.00 -0.12 0.00 0.00 57.88 57.91 1yeo h LEU 86 Cb 0.28 0.16 0.01 0.00 -0.73 0.00 0.00 40.66 40.38 1yeo h LEU 86 CO -0.29 -0.14 -0.46 0.45 -0.62 0.00 0.00 178.44 177.37 1yeo h HIS 87 N -0.13 0.64 0.14 1.25 3.86 -1.08 0.63 115.15 120.47 1yeo h HIS 87 Ca 0.08 -0.28 -0.23 0.00 -1.16 0.00 0.00 60.37 58.77 1yeo h HIS 87 Cb 0.24 -0.10 0.01 0.00 1.06 0.00 0.00 27.41 28.62 1yeo h HIS 87 CO -0.22 1.05 -1.09 0.00 0.86 0.00 0.00 177.93 178.54 1yeo h ALA 88 N 0.46 -0.00 0.00 2.45 0.00 -1.08 0.38 119.26 121.47 1yeo h ALA 88 Ca -0.03 -0.85 -0.28 0.00 0.00 0.00 0.00 54.91 53.74 1yeo h ALA 88 Cb 1.11 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 19.09 1yeo h ALA 88 CO 0.10 0.57 -2.09 0.72 0.00 0.00 0.00 179.25 178.54 1yeo n HIS 89 N -4.02 0.31 -0.07 0.00 8.25 0.44 -3.82 115.22 116.31 1yeo n HIS 89 Ca -0.18 0.11 -0.07 0.00 -0.26 0.00 0.00 57.72 57.32 1yeo n HIS 89 Cb 0.88 -0.98 -0.02 0.00 1.12 0.00 0.00 29.99 30.98 1yeo n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1yeo n LYS 90 N -2.76 0.42 0.13 -0.41 4.81 -1.04 -4.63 118.16 114.69 1yeo n LYS 90 Ca -0.23 0.24 -0.01 0.00 -0.87 0.00 0.00 58.31 57.44 1yeo n LYS 90 Cb 1.03 -1.32 0.15 0.00 0.02 0.00 0.00 35.03 34.91 1yeo n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1yeo h LEU 91 N -0.82 0.00 -2.19 3.14 3.38 -1.01 -3.48 115.31 114.33 1yeo h LEU 91 Ca 0.00 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.63 1yeo h LEU 91 Cb 0.73 0.00 0.14 0.00 0.09 0.00 0.00 40.66 41.62 1yeo h LEU 91 CO 0.00 0.62 -0.84 0.54 0.09 0.00 0.00 178.44 178.85 1yeo n ARG 92 N -3.66 -3.88 -2.86 1.13 3.00 0.06 -4.93 116.66 105.52 1yeo n ARG 92 Ca -0.01 0.73 -0.42 0.00 -0.01 0.00 0.00 57.85 58.15 1yeo n ARG 92 Cb 0.65 -5.40 -0.04 0.00 0.00 0.00 0.00 32.46 27.67 1yeo n ARG 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1yeo s VAL 93 N -3.47 4.84 0.26 1.55 1.01 -0.80 -5.00 120.40 118.79 1yeo s VAL 93 Ca 0.23 1.68 -0.31 0.00 0.00 0.00 0.00 61.98 63.58 1yeo s VAL 93 Cb -0.05 -4.16 -0.12 0.00 0.00 0.00 0.00 36.38 32.06 1yeo s VAL 93 CO 0.78 -0.02 1.64 -0.67 0.00 0.00 0.00 175.10 176.83 1yeo n ASP 94 N 5.52 3.91 -0.24 3.32 -0.08 -1.26 -4.87 116.55 122.84 1yeo n ASP 94 Ca 0.06 1.12 0.26 0.00 -1.51 0.00 0.00 54.79 54.72 1yeo n ASP 94 Cb 0.48 -1.59 0.64 0.00 2.34 0.00 0.00 41.12 42.99 1yeo n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1yeo h PRO 95 N 5.47 0.16 -0.42 -0.67 0.11 -1.95 -1.86 132.00 132.84 1yeo h PRO 95 Ca -0.46 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.75 1yeo h PRO 95 Cb 1.22 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 1yeo h PRO 95 CO 0.85 0.11 0.30 -0.39 -0.21 0.00 0.00 178.00 178.66 1yeo h VAL 96 N 0.17 0.84 0.00 3.15 -1.51 -2.02 -1.06 116.25 115.81 1yeo h VAL 96 Ca 0.49 -0.04 -0.05 0.00 -1.23 0.00 0.00 66.70 65.88 1yeo h VAL 96 Cb 1.64 0.73 -0.01 0.00 -2.13 0.00 0.00 31.29 31.51 1yeo h VAL 96 CO -0.10 0.02 -0.23 0.78 -1.23 0.00 0.00 177.57 176.81 1yeo h ASN 97 N 0.10 0.00 -0.35 4.19 4.21 -1.70 -1.83 115.58 120.20 1yeo h ASN 97 Ca 0.20 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.63 1yeo h ASN 97 Cb 0.66 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.84 1yeo h ASN 97 CO -0.02 0.23 -0.06 -0.26 -1.29 0.00 0.00 177.43 176.03 1yeo h PHE 98 N 0.00 0.81 -0.17 1.19 -1.00 -1.36 -1.38 116.94 115.03 1yeo h PHE 98 Ca -0.00 -0.13 -0.03 0.00 2.81 0.00 0.00 57.97 60.62 1yeo h PHE 98 Cb 0.48 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 39.81 1yeo h PHE 98 CO 0.00 0.79 -0.05 0.87 -1.61 0.00 0.00 178.31 178.30 1yeo h LYS 99 N 0.69 0.25 0.03 1.51 1.57 -1.38 -1.45 116.57 117.79 1yeo h LYS 99 Ca 0.13 -0.04 -0.27 0.00 -1.87 0.00 0.00 60.65 58.59 1yeo h LYS 99 Cb 0.51 -0.04 0.02 0.00 0.08 0.00 0.00 32.23 32.80 1yeo h LYS 99 CO 0.03 0.32 -1.09 -0.07 -0.57 0.00 0.00 179.45 178.07 1yeo h LEU 100 N 0.24 0.90 -0.49 2.94 3.38 -1.14 -1.61 115.31 119.54 1yeo h LEU 100 Ca 0.05 -0.76 -0.08 0.00 0.09 0.00 0.00 57.88 57.19 1yeo h LEU 100 Cb 0.26 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1yeo h LEU 100 CO 0.01 1.55 0.01 0.25 0.09 0.00 0.00 178.44 180.35 1yeo h LEU 101 N 0.36 0.84 -0.19 1.67 5.85 -1.17 -1.85 115.31 120.81 1yeo h LEU 101 Ca -0.14 -0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.29 1yeo h LEU 101 Cb 1.75 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.53 1yeo h LEU 101 CO 0.21 0.94 0.08 0.28 -0.34 0.00 0.00 178.44 179.61 1yeo h SER 102 N 0.72 0.11 -0.79 1.25 0.02 -1.23 0.62 113.55 114.24 1yeo h SER 102 Ca 0.14 0.01 0.07 0.00 -0.84 0.00 0.00 61.79 61.17 1yeo h SER 102 Cb 0.50 -0.01 -0.06 0.00 0.14 0.00 0.00 62.40 62.97 1yeo h SER 102 CO 0.02 0.09 0.47 -0.74 -1.14 0.00 0.00 176.83 175.53 1yeo h HIS 103 N 0.18 0.86 -0.10 3.45 -0.00 -1.12 -0.88 115.15 117.54 1yeo h HIS 103 Ca 0.08 0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.38 1yeo h HIS 103 Cb 0.03 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 27.16 1yeo h HIS 103 CO -0.10 0.40 -0.36 0.00 -0.00 0.00 0.00 177.93 177.87 1yeo h LEU 105 N 0.18 0.50 -1.22 0.00 3.38 -0.10 -1.15 115.31 116.91 1yeo h LEU 105 Ca 0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 1yeo h LEU 105 Cb 0.73 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 1yeo h LEU 105 CO 0.06 0.64 0.41 -0.07 0.09 0.00 0.00 178.44 179.57 1yeo h LEU 106 N 0.34 0.83 -0.32 1.67 3.38 -0.61 -0.57 115.31 120.03 1yeo h LEU 106 Ca 0.09 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1yeo h LEU 106 Cb 0.36 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1yeo h LEU 106 CO 0.01 0.65 0.06 0.58 0.09 0.00 0.00 178.44 179.82 1yeo h VAL 107 N 0.96 1.23 -0.65 1.22 2.07 -0.87 -1.27 116.25 118.93 1yeo h VAL 107 Ca 0.25 -0.80 0.02 0.00 0.82 0.00 0.00 66.70 66.99 1yeo h VAL 107 Cb -0.02 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 1yeo h VAL 107 CO -0.05 0.26 0.42 0.74 0.02 0.00 0.00 177.57 178.97 1yeo h THR 108 N 0.36 1.12 -0.41 2.57 2.02 -0.61 -1.47 112.91 116.50 1yeo h THR 108 Ca 0.10 -0.29 -0.11 0.00 0.77 0.00 0.00 66.41 66.88 1yeo h THR 108 Cb 0.33 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 66.94 1yeo h THR 108 CO 0.00 0.15 -0.18 -0.07 0.37 0.00 0.00 175.52 175.80 1yeo h LEU 109 N 0.84 0.79 -0.69 2.58 3.38 -0.96 -2.66 115.31 118.60 1yeo h LEU 109 Ca 0.25 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1yeo h LEU 109 Cb -0.04 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 1yeo h LEU 109 CO -0.08 0.97 0.23 0.00 0.09 0.00 0.00 178.44 179.65 1yeo h ALA 110 N 1.10 0.90 0.00 1.53 0.00 -0.79 0.35 119.26 122.35 1yeo h ALA 110 Ca 0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1yeo h ALA 110 Cb 0.69 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1yeo h ALA 110 CO 0.05 0.57 -0.03 0.00 0.00 0.00 0.00 179.25 179.84 1yeo h ALA 111 N 1.10 1.00 0.00 0.00 0.00 -1.09 -3.27 119.26 117.01 1yeo h ALA 111 Ca 0.22 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 1yeo h ALA 111 Cb 0.28 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 1yeo h ALA 111 CO -0.01 0.04 -1.54 0.72 0.00 0.00 0.00 179.25 178.45 1yeo n HIS 112 N -3.13 0.00 -2.90 0.00 -0.00 -1.02 -4.77 115.22 103.39 1yeo n HIS 112 Ca 0.01 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.47 1yeo n HIS 112 Cb 0.36 -0.29 -0.03 0.00 -0.00 0.00 0.00 29.99 30.03 1yeo n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1yeo n LEU 113 N -1.94 4.19 -0.26 2.41 4.32 0.12 -4.95 117.00 120.89 1yeo n LEU 113 Ca -0.03 -5.56 0.08 0.00 -0.02 0.00 0.00 56.01 50.47 1yeo n LEU 113 Cb 0.35 -0.43 0.21 0.00 -1.62 0.00 0.00 43.42 41.92 1yeo n LEU 113 CO 0.24 2.33 0.93 -0.65 -1.22 0.00 0.00 177.39 179.02 1yeo h PRO 114 N 2.94 0.25 0.06 3.23 0.11 -1.80 -1.62 132.00 135.16 1yeo h PRO 114 Ca 0.14 -0.01 -0.23 0.00 0.11 0.00 0.00 66.00 66.00 1yeo h PRO 114 Cb 0.59 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.64 1yeo h PRO 114 CO 0.79 0.16 -1.07 0.00 -0.21 0.00 0.00 178.00 177.67 1yeo h ALA 115 N 1.66 0.28 0.00 -0.75 0.00 -1.94 -3.34 119.26 115.17 1yeo h ALA 115 Ca 0.45 -0.85 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 1yeo h ALA 115 Cb 0.81 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1yeo h ALA 115 CO -0.56 1.05 -0.64 1.05 0.00 0.00 0.00 179.25 180.15 1yeo h GLU 116 N 0.06 0.00 -3.01 0.00 9.09 -1.85 -3.41 114.58 115.46 1yeo h GLU 116 Ca -0.07 0.00 -0.71 0.00 0.05 0.00 0.00 59.36 58.62 1yeo h GLU 116 Cb 1.79 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 28.83 1yeo h GLU 116 CO 0.16 0.11 2.99 0.34 0.05 0.00 0.00 179.01 182.66 1yeo n PHE 117 N -2.93 2.67 -1.65 2.06 7.35 -0.66 -4.78 117.46 119.52 1yeo n PHE 117 Ca 0.00 -2.94 -0.29 0.00 -0.76 0.00 0.00 57.45 53.47 1yeo n PHE 117 Cb 0.61 -2.17 0.13 0.00 0.35 0.00 0.00 39.48 38.40 1yeo n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1yeo s THR 118 N 0.72 1.99 0.15 -2.13 -4.23 -1.26 -4.77 115.64 106.10 1yeo s THR 118 Ca 0.57 0.00 -0.26 0.00 -1.18 0.00 0.00 61.69 60.82 1yeo s THR 118 Cb 0.17 -2.83 0.00 0.00 1.34 0.00 0.00 72.50 71.18 1yeo s THR 118 CO -0.07 0.00 1.59 -0.65 -0.54 0.00 0.00 174.62 174.95 1yeo h PRO 119 N -1.41 -0.34 -0.68 3.99 0.11 -1.99 -0.32 132.00 131.37 1yeo h PRO 119 Ca -0.49 0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.71 1yeo h PRO 119 Cb 1.33 0.08 -0.06 0.00 0.11 0.00 0.00 31.00 32.45 1yeo h PRO 119 CO 0.61 -0.23 0.37 0.00 -0.21 0.00 0.00 178.00 178.55 1yeo h ALA 120 N 0.45 0.91 -0.16 -0.75 0.00 -1.97 -1.36 119.26 116.38 1yeo h ALA 120 Ca 0.13 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 1yeo h ALA 120 Cb 0.58 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1yeo h ALA 120 CO -0.50 0.04 -0.50 0.28 0.00 0.00 0.00 179.25 178.57 1yeo h VAL 121 N 0.68 1.33 -0.40 0.00 2.07 -1.79 -1.59 116.25 116.55 1yeo h VAL 121 Ca 0.31 -1.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.07 1yeo h VAL 121 Cb 0.21 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 1yeo h VAL 121 CO -0.19 0.53 0.15 -0.74 0.02 0.00 0.00 177.57 177.34 1yeo h HIS 122 N 0.34 0.62 -0.47 1.57 6.17 -0.70 -0.16 115.15 122.51 1yeo h HIS 122 Ca 0.01 -0.05 -0.09 0.00 0.71 0.00 0.00 60.37 60.96 1yeo h HIS 122 Cb 1.00 -0.18 -0.02 0.00 2.52 0.00 0.00 27.41 30.72 1yeo h HIS 122 CO 0.03 0.55 -0.06 0.00 0.71 0.00 0.00 177.93 179.17 1yeo h ALA 123 N 1.00 1.01 -0.27 5.26 0.00 -0.96 -1.58 119.26 123.71 1yeo h ALA 123 Ca 0.13 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 1yeo h ALA 123 Cb 0.21 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1yeo h ALA 123 CO -0.01 0.60 -0.19 0.77 0.00 0.00 0.00 179.25 180.42 1yeo h SER 124 N 0.75 0.63 -0.66 0.00 0.02 -1.05 -2.00 113.55 111.24 1yeo h SER 124 Ca 0.13 -0.44 -0.05 0.00 -0.84 0.00 0.00 61.79 60.59 1yeo h SER 124 Cb 0.54 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 1yeo h SER 124 CO 0.03 0.94 0.21 -0.07 -1.14 0.00 0.00 176.83 176.80 1yeo h LEU 125 N 0.33 0.98 -0.57 5.07 3.38 -0.94 -0.11 115.31 123.45 1yeo h LEU 125 Ca 0.05 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1yeo h LEU 125 Cb 0.73 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1yeo h LEU 125 CO 0.05 0.92 0.29 -0.78 0.09 0.00 0.00 178.44 179.01 1yeo h ASP 126 N 1.01 0.73 -0.32 -0.43 3.58 -1.22 -0.48 116.42 119.29 1yeo h ASP 126 Ca 0.22 -0.11 -0.02 0.00 0.42 0.00 0.00 57.03 57.54 1yeo h ASP 126 Cb 0.29 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 1yeo h ASP 126 CO -0.01 0.63 0.11 0.11 -2.88 0.00 0.00 179.24 177.21 1yeo h LYS 127 N 0.77 0.49 -0.18 0.28 1.57 -0.85 -1.84 116.57 116.80 1yeo h LYS 127 Ca 0.20 -0.10 0.03 0.00 -1.87 0.00 0.00 60.65 58.91 1yeo h LYS 127 Cb 0.08 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 1yeo h LYS 127 CO -0.03 0.51 -0.01 0.35 -0.57 0.00 0.00 179.45 179.70 1yeo h PHE 128 N 0.36 -0.03 0.00 -1.35 3.57 -0.79 -1.43 116.94 117.27 1yeo h PHE 128 Ca 0.10 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.59 1yeo h PHE 128 Cb 0.22 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 1yeo h PHE 128 CO 0.00 -0.04 -0.12 -0.07 -2.23 0.00 0.00 178.31 175.85 1yeo h LEU 129 N 0.04 0.00 -0.47 0.59 3.38 -0.90 -0.13 115.31 117.83 1yeo h LEU 129 Ca 0.08 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.90 1yeo h LEU 129 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1yeo h LEU 129 CO -0.15 0.12 -0.46 0.00 0.09 0.00 0.00 178.44 178.04 1yeo h ALA 130 N 1.88 0.65 -0.41 1.53 0.00 -0.64 -0.61 119.26 121.66 1yeo h ALA 130 Ca -0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 1yeo h ALA 130 Cb 0.29 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1yeo h ALA 130 CO 0.02 0.67 -0.07 0.77 0.00 0.00 0.00 179.25 180.64 1yeo h SER 131 N 0.59 0.76 -0.38 0.00 0.02 -0.05 0.15 113.55 114.65 1yeo h SER 131 Ca 0.03 -0.35 -0.03 0.00 -0.84 0.00 0.00 61.79 60.61 1yeo h SER 131 Cb 1.03 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 1yeo h SER 131 CO 0.10 0.93 0.12 0.58 -1.14 0.00 0.00 176.83 177.42 1yeo h VAL 132 N 0.58 1.21 -0.76 2.27 2.07 -1.06 -2.10 116.25 118.46 1yeo h VAL 132 Ca 0.11 -0.68 0.01 0.00 0.82 0.00 0.00 66.70 66.96 1yeo h VAL 132 Cb 0.58 0.94 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 1yeo h VAL 132 CO 0.03 0.24 0.50 0.28 0.02 0.00 0.00 177.57 178.64 1yeo h SER 133 N 0.46 0.86 -0.56 0.57 0.02 -0.83 -1.07 113.55 113.00 1yeo h SER 133 Ca 0.12 -0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.02 1yeo h SER 133 Cb 0.24 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.55 1yeo h SER 133 CO -0.00 0.61 0.25 0.74 -1.14 0.00 0.00 176.83 177.28 1yeo h THR 134 N 1.01 1.21 -0.19 -2.27 2.02 -0.78 -1.96 112.91 111.95 1yeo h THR 134 Ca 0.29 -0.65 -0.14 0.00 0.77 0.00 0.00 66.41 66.69 1yeo h THR 134 Cb -0.08 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 66.82 1yeo h THR 134 CO -0.07 0.26 -0.41 0.58 0.37 0.00 0.00 175.52 176.24 1yeo h VAL 135 N 0.85 1.33 0.00 3.16 2.07 -0.81 -1.59 116.25 121.26 1yeo h VAL 135 Ca 0.20 -1.65 0.00 0.00 0.82 0.00 0.00 66.70 66.08 1yeo h VAL 135 Cb 0.15 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1yeo h VAL 135 CO -0.02 0.51 0.00 0.18 0.02 0.00 0.00 177.57 178.26 1yeo n LEU 136 N -4.24 0.00 -0.00 2.57 4.77 -0.46 -3.24 117.00 116.41 1yeo n LEU 136 Ca -0.06 0.44 0.01 0.00 -0.03 0.00 0.00 56.01 56.37 1yeo n LEU 136 Cb 0.54 -0.44 -0.01 0.00 -2.33 0.00 0.00 43.42 41.18 1yeo n LEU 136 CO 0.46 -0.22 -0.18 0.41 -1.33 0.00 0.00 177.39 176.53 1yeo n THR 137 N -1.44 0.00 0.27 -5.08 -1.04 -0.76 -3.97 114.28 102.26 1yeo n THR 137 Ca 0.05 -0.32 0.15 0.00 -2.04 0.00 0.00 64.05 61.89 1yeo n THR 137 Cb 0.16 0.82 0.86 0.00 -1.82 0.00 0.00 70.33 70.35 1yeo n THR 137 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1yeo h SER 138 N 0.00 0.00 -0.65 8.00 4.64 -1.26 -1.24 113.55 123.03 1yeo h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1yeo h SER 138 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1yeo h SER 138 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1yeo n LYS 139 N -3.92 2.58 -2.68 4.77 5.02 -1.26 -5.00 118.16 117.68 1yeo n LYS 139 Ca -0.02 -2.46 -0.41 0.00 -2.02 0.00 0.00 58.31 53.41 1yeo n LYS 139 Cb 0.15 -1.53 -0.04 0.00 -0.02 0.00 0.00 35.03 33.58 1yeo n LYS 139 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1yeo s TYR 140 N -1.13 3.76 0.00 2.13 5.04 -0.47 -4.86 117.35 121.81 1yeo s TYR 140 Ca 0.45 1.74 0.00 0.00 -2.44 0.00 0.00 57.07 56.83 1yeo s TYR 140 Cb 0.24 -3.11 0.00 0.00 0.35 0.00 0.00 41.96 39.44 1yeo s TYR 140 CO 0.32 -0.00 0.00 0.54 -1.34 0.00 0.00 175.55 175.06