#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y7d s LEU 2 N 0.00 4.25 0.73 6.55 1.43 -1.26 -5.02 118.68 125.37 1y7d s LEU 2 Ca 0.00 1.90 -0.10 0.00 -1.03 0.00 0.00 54.13 54.90 1y7d s LEU 2 Cb 0.00 -3.55 0.05 0.00 0.03 0.00 0.00 46.19 42.72 1y7d s LEU 2 CO 0.00 -0.73 1.08 -0.94 0.23 0.00 0.00 176.35 175.99 1y7d s SER 3 N 2.03 4.99 0.36 2.29 1.04 -1.26 -4.87 113.70 118.29 1y7d s SER 3 Ca 0.60 0.80 0.05 0.00 0.48 0.00 0.00 55.95 57.88 1y7d s SER 3 Cb -0.26 -1.48 0.70 0.00 0.10 0.00 0.00 66.02 65.07 1y7d s SER 3 CO 0.21 -1.56 1.95 -0.65 0.98 0.00 0.00 173.24 174.17 1y7d h PRO 4 N -0.72 0.55 -0.40 4.02 0.11 -1.99 -0.93 132.00 132.64 1y7d h PRO 4 Ca -0.45 -0.08 -0.06 0.00 0.11 0.00 0.00 66.00 65.52 1y7d h PRO 4 Cb 1.29 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1y7d h PRO 4 CO 0.63 0.48 0.03 0.00 -0.21 0.00 0.00 178.00 178.93 1y7d h ALA 5 N 1.59 0.53 -0.10 -0.75 0.00 -1.99 -1.68 119.26 116.87 1y7d h ALA 5 Ca 0.13 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1y7d h ALA 5 Cb 0.16 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1y7d h ALA 5 CO -0.01 0.29 -0.11 -0.44 0.00 0.00 0.00 179.25 178.98 1y7d h ASP 6 N 0.52 -0.34 -0.89 0.00 3.32 -1.78 0.75 116.42 118.00 1y7d h ASP 6 Ca 0.12 0.06 0.06 0.00 0.02 0.00 0.00 57.03 57.29 1y7d h ASP 6 Cb 0.43 0.16 -0.06 0.00 0.22 0.00 0.00 39.33 40.09 1y7d h ASP 6 CO 0.02 -0.15 0.58 0.11 -1.72 0.00 0.00 179.24 178.08 1y7d h LYS 7 N -0.14 1.01 -0.04 3.56 1.57 -1.00 0.23 116.57 121.75 1y7d h LYS 7 Ca 0.07 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1y7d h LYS 7 Cb 0.24 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.33 1y7d h LYS 7 CO -0.18 0.67 -0.01 1.15 -0.57 0.00 0.00 179.45 180.50 1y7d h THR 8 N 1.04 1.31 -0.30 -0.16 2.02 -0.87 -0.23 112.91 115.71 1y7d h THR 8 Ca 0.38 -0.95 0.06 0.00 0.77 0.00 0.00 66.41 66.67 1y7d h THR 8 Cb 0.15 1.86 -0.06 0.00 -1.74 0.00 0.00 68.15 68.36 1y7d h THR 8 CO -0.13 0.26 -0.09 0.78 0.37 0.00 0.00 175.52 176.71 1y7d h ASN 9 N -0.28 -0.32 -0.06 4.18 2.35 -0.26 0.32 115.58 121.51 1y7d h ASN 9 Ca 0.01 0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.85 1y7d h ASN 9 Cb 0.42 0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.99 1y7d h ASN 9 CO 0.01 -0.11 0.03 0.58 -1.65 0.00 0.00 177.43 176.28 1y7d h VAL 10 N -0.02 1.10 -0.98 2.81 2.07 -0.52 -0.94 116.25 119.77 1y7d h VAL 10 Ca 0.15 -0.28 0.07 0.00 0.82 0.00 0.00 66.70 67.46 1y7d h VAL 10 Cb 0.24 1.17 -0.07 0.00 -1.52 0.00 0.00 31.29 31.12 1y7d h VAL 10 CO -0.32 0.08 0.63 0.11 0.02 0.00 0.00 177.57 178.09 1y7d h LYS 11 N -0.01 1.09 0.77 1.57 1.57 -0.69 -0.91 116.57 119.97 1y7d h LYS 11 Ca 0.02 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1y7d h LYS 11 Cb 0.10 -0.25 0.01 0.00 0.08 0.00 0.00 32.23 32.17 1y7d h LYS 11 CO -0.00 0.72 -0.37 0.00 -0.57 0.00 0.00 179.45 179.23 1y7d h ALA 12 N 1.48 -1.08 -0.44 3.86 0.00 -0.62 -0.95 119.26 121.52 1y7d h ALA 12 Ca 0.43 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 55.19 1y7d h ALA 12 Cb 0.20 0.40 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 1y7d h ALA 12 CO -0.17 -1.00 -0.02 0.00 0.00 0.00 0.00 179.25 178.06 1y7d h ALA 13 N -1.33 0.39 0.00 0.00 0.00 -1.05 -0.39 119.26 116.87 1y7d h ALA 13 Ca -0.11 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1y7d h ALA 13 Cb 0.80 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1y7d h ALA 13 CO 0.17 -0.40 -0.23 2.35 0.00 0.00 0.00 179.25 181.14 1y7d h TRP 14 N 0.09 0.00 -0.65 0.00 2.91 -1.22 -2.71 115.95 114.37 1y7d h TRP 14 Ca 0.22 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.23 1y7d h TRP 14 Cb 0.32 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 28.94 1y7d h TRP 14 CO -0.30 0.23 0.37 0.78 -1.03 0.00 0.00 178.44 178.49 1y7d h GLY 15 N 0.78 0.96 1.90 2.65 0.00 0.37 -2.36 103.07 107.37 1y7d h GLY 15 Ca -0.00 -0.42 -0.08 0.00 0.00 0.00 0.00 47.33 46.83 1y7d h GLY 15 CO 0.03 0.40 -0.31 0.50 0.00 0.00 0.00 176.54 177.16 1y7d h LYS 16 N 0.88 0.12 -0.07 4.80 1.79 -1.14 -3.18 116.57 119.78 1y7d h LYS 16 Ca 0.23 -0.04 0.04 0.00 -2.18 0.00 0.00 60.65 58.70 1y7d h LYS 16 Cb 0.01 -0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 30.60 1y7d h LYS 16 CO -0.04 0.43 -0.22 0.28 -1.08 0.00 0.00 179.45 178.82 1y7d h VAL 17 N 0.11 0.48 0.00 0.50 2.07 -1.29 -3.46 116.25 114.66 1y7d h VAL 17 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1y7d h VAL 17 Cb 0.61 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1y7d h VAL 17 CO 0.04 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.24 1y7d n GLY 18 N -1.35 3.01 0.00 2.17 0.00 -1.20 -2.02 105.19 105.81 1y7d n GLY 18 Ca -0.04 -0.15 0.03 0.00 0.00 0.00 0.00 46.02 45.86 1y7d n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y7d n ALA 19 N 9.55 1.88 0.90 4.61 0.00 -1.26 -2.32 120.51 133.87 1y7d n ALA 19 Ca 0.00 -0.03 0.10 0.00 0.00 0.00 0.00 53.44 53.50 1y7d n ALA 19 Cb 0.00 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 1y7d n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1y7d n HIS 20 N -0.75 0.00 -0.29 0.00 8.25 -0.86 -4.58 115.22 117.00 1y7d n HIS 20 Ca 0.04 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.61 1y7d n HIS 20 Cb 0.02 0.00 0.26 0.00 1.12 0.00 0.00 29.99 31.39 1y7d n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1y7d h ALA 21 N 3.28 1.18 -0.26 -1.41 0.00 -1.59 -1.02 119.26 119.44 1y7d h ALA 21 Ca 0.00 0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1y7d h ALA 21 Cb 0.62 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1y7d h ALA 21 CO 0.00 -0.42 0.14 0.78 0.00 0.00 0.00 179.25 179.75 1y7d h GLY 22 N 0.23 0.35 1.07 0.00 0.00 -1.85 0.42 103.07 103.29 1y7d h GLY 22 Ca 0.51 -0.11 -0.04 0.00 0.00 0.00 0.00 47.33 47.69 1y7d h GLY 22 CO -0.62 0.09 0.33 0.83 0.00 0.00 0.00 176.54 177.17 1y7d h GLU 23 N 0.30 1.18 -0.16 4.80 5.08 -1.55 -1.57 114.58 122.66 1y7d h GLU 23 Ca 0.10 -0.21 -0.17 0.00 -1.00 0.00 0.00 59.36 58.09 1y7d h GLU 23 Cb 0.01 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 1y7d h GLU 23 CO -0.06 0.95 -0.59 1.88 -1.00 0.00 0.00 179.01 180.19 1y7d h TYR 24 N 1.16 0.66 0.84 4.33 -1.99 -1.03 -0.77 116.97 120.17 1y7d h TYR 24 Ca 0.27 -0.24 -0.04 0.00 2.00 0.00 0.00 58.73 60.71 1y7d h TYR 24 Cb 0.20 -0.12 0.01 0.00 2.00 0.00 0.00 36.73 38.82 1y7d h TYR 24 CO 0.02 0.98 -0.40 0.78 -0.00 0.00 0.00 178.16 179.53 1y7d h GLY 25 N 1.11 -1.18 0.17 3.88 0.00 -0.52 -1.31 103.07 105.22 1y7d h GLY 25 Ca -0.00 0.44 0.15 0.00 0.00 0.00 0.00 47.33 47.92 1y7d h GLY 25 CO 0.11 -0.43 0.38 0.00 0.00 0.00 0.00 176.54 176.60 1y7d h ALA 26 N -1.00 1.21 -0.38 3.60 0.00 -1.29 -2.23 119.26 119.16 1y7d h ALA 26 Ca -0.12 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1y7d h ALA 26 Cb 0.87 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 1y7d h ALA 26 CO 0.19 -0.15 -0.17 1.49 0.00 0.00 0.00 179.25 180.60 1y7d h GLU 27 N 0.54 0.72 -0.34 0.00 4.81 -0.92 -2.01 114.58 117.38 1y7d h GLU 27 Ca 0.45 -0.26 -0.12 0.00 -0.13 0.00 0.00 59.36 59.30 1y7d h GLU 27 Cb 0.67 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 1y7d h GLU 27 CO -0.39 0.85 -0.28 0.00 -0.73 0.00 0.00 179.01 178.47 1y7d h ALA 28 N 1.16 0.87 0.03 2.92 0.00 -0.74 -1.57 119.26 121.93 1y7d h ALA 28 Ca 0.10 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1y7d h ALA 28 Cb 0.65 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1y7d h ALA 28 CO 0.05 0.63 -0.01 -0.07 0.00 0.00 0.00 179.25 179.84 1y7d h LEU 29 N 0.61 -0.03 -1.00 0.00 3.38 -1.18 -1.82 115.31 115.27 1y7d h LEU 29 Ca 0.08 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.88 1y7d h LEU 29 Cb 0.78 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.49 1y7d h LEU 29 CO 0.06 0.17 0.66 -0.08 0.09 0.00 0.00 178.44 179.35 1y7d h GLU 30 N -0.23 1.28 -0.12 1.13 4.81 -1.23 -1.10 114.58 119.12 1y7d h GLU 30 Ca -0.00 -0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 59.04 1y7d h GLU 30 Cb 0.22 -0.29 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1y7d h GLU 30 CO 0.01 0.85 -0.39 0.00 -0.73 0.00 0.00 179.01 178.74 1y7d h ARG 31 N 1.32 0.26 -0.13 1.92 3.08 -1.20 -2.61 114.38 117.03 1y7d h ARG 31 Ca 0.38 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 60.26 1y7d h ARG 31 Cb -0.09 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.95 1y7d h ARG 31 CO -0.10 0.62 -0.09 1.98 -1.07 0.00 0.00 179.97 181.31 1y7d h MET 32 N 0.22 0.29 -0.44 0.04 4.05 -0.43 -1.75 114.93 116.92 1y7d h MET 32 Ca 0.02 -0.14 0.02 0.00 -0.28 0.00 0.00 59.70 59.32 1y7d h MET 32 Cb 0.80 -0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 31.57 1y7d h MET 32 CO 0.06 0.66 0.26 0.74 0.23 0.00 0.00 176.91 178.87 1y7d h PHE 33 N -0.08 0.49 -0.12 1.39 0.04 -1.17 0.55 116.94 118.05 1y7d h PHE 33 Ca 0.02 0.02 -0.22 0.00 2.80 0.00 0.00 57.97 60.59 1y7d h PHE 33 Cb 0.59 -0.16 0.01 0.00 2.20 0.00 0.00 35.95 38.59 1y7d h PHE 33 CO 0.08 0.29 -0.80 -0.07 -0.60 0.00 0.00 178.31 177.20 1y7d h LEU 34 N 0.53 0.83 0.07 1.54 3.38 -1.52 -3.19 115.31 116.96 1y7d h LEU 34 Ca 0.18 -0.56 -0.27 0.00 0.09 0.00 0.00 57.88 57.31 1y7d h LEU 34 Cb 0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 1y7d h LEU 34 CO -0.08 1.35 -1.36 0.28 0.09 0.00 0.00 178.44 178.73 1y7d h SER 35 N 0.46 0.24 -2.62 -0.43 0.02 -1.16 -3.40 113.55 106.67 1y7d h SER 35 Ca -0.06 -0.31 -0.60 0.00 -0.84 0.00 0.00 61.79 59.98 1y7d h SER 35 Cb 1.42 -0.08 -0.40 0.00 0.14 0.00 0.00 62.40 63.49 1y7d h SER 35 CO 0.16 1.26 -0.83 0.49 -1.14 0.00 0.00 176.83 176.77 1y7d n PHE 36 N -3.39 0.69 0.33 3.45 3.01 0.19 -4.99 117.46 116.75 1y7d n PHE 36 Ca -0.11 -3.70 0.20 0.00 1.01 0.00 0.00 57.45 54.86 1y7d n PHE 36 Cb 1.01 -0.09 1.09 0.00 -0.01 0.00 0.00 39.48 41.49 1y7d n PHE 36 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1y7d h PRO 37 N 5.48 0.00 0.00 -1.08 0.13 -1.73 -1.33 132.00 133.47 1y7d h PRO 37 Ca 0.22 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.34 1y7d h PRO 37 Cb 0.85 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.98 1y7d h PRO 37 CO 0.51 0.00 -0.05 1.79 -0.23 0.00 0.00 178.00 180.02 1y7d h THR 38 N 0.00 0.72 0.00 1.56 1.35 -1.92 -2.08 112.91 112.54 1y7d h THR 38 Ca 0.01 -0.19 -0.02 0.00 -0.55 0.00 0.00 66.41 65.66 1y7d h THR 38 Cb 0.18 1.11 -0.00 0.00 -1.73 0.00 0.00 68.15 67.71 1y7d h THR 38 CO -0.00 0.05 -0.07 0.71 -0.25 0.00 0.00 175.52 175.95 1y7d h THR 39 N 0.00 0.27 0.00 6.82 1.35 -1.57 -2.89 112.91 116.89 1y7d h THR 39 Ca -0.00 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1y7d h THR 39 Cb 0.11 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 67.93 1y7d h THR 39 CO 0.01 0.07 0.00 0.11 -0.25 0.00 0.00 175.52 175.46 1y7d h LYS 40 N 0.00 0.00 -0.00 4.72 1.57 -1.55 -3.12 116.57 118.19 1y7d h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1y7d h LYS 40 Cb 0.39 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.70 1y7d h LYS 40 CO 0.01 0.00 0.05 1.79 -0.57 0.00 0.00 179.45 180.73 1y7d h THR 41 N 0.00 0.05 -0.01 -0.16 1.35 -1.69 -0.57 112.91 111.87 1y7d h THR 41 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1y7d h THR 41 Cb 0.46 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 1y7d h THR 41 CO 0.00 0.00 -0.38 -1.22 -0.25 0.00 0.00 175.52 173.67 1y7d n TYR 42 N -3.12 0.00 -2.30 4.73 4.01 -1.18 -4.26 117.16 115.04 1y7d n TYR 42 Ca -0.03 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.54 1y7d n TYR 42 Cb 0.12 -0.11 0.03 0.00 -0.31 0.00 0.00 39.34 39.06 1y7d n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1y7d n PHE 43 N -0.71 2.34 -0.12 -0.72 3.01 -0.22 -4.87 117.46 116.16 1y7d n PHE 43 Ca 0.10 -2.29 0.18 0.00 1.01 0.00 0.00 57.45 56.46 1y7d n PHE 43 Cb 0.37 -0.29 0.58 0.00 -0.01 0.00 0.00 39.48 40.12 1y7d n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1y7d h PRO 44 N 2.36 0.25 -0.01 -1.08 0.13 -1.74 -0.46 132.00 131.45 1y7d h PRO 44 Ca 0.21 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1y7d h PRO 44 Cb 1.41 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.48 1y7d h PRO 44 CO 0.60 0.17 0.00 -2.39 -0.23 0.00 0.00 178.00 176.15 1y7d n HIS 45 N -4.43 0.00 -4.02 1.56 1.44 -1.26 -4.88 115.22 103.63 1y7d n HIS 45 Ca 0.14 -0.00 -0.21 0.00 -2.01 0.00 0.00 57.72 55.63 1y7d n HIS 45 Cb 0.60 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.68 1y7d n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1y7d s PHE 46 N -2.00 3.19 -0.45 -1.40 2.99 -0.18 -5.06 117.98 115.07 1y7d s PHE 46 Ca 0.44 -0.11 -0.19 0.00 0.00 0.00 0.00 56.93 57.07 1y7d s PHE 46 Cb 0.21 -1.51 0.03 0.00 0.00 0.00 0.00 43.02 41.75 1y7d s PHE 46 CO 0.35 0.44 0.56 0.34 -0.00 0.00 0.00 175.22 176.92 1y7d s ASP 47 N -3.91 6.25 -0.02 1.36 2.15 -1.26 -4.93 116.67 116.31 1y7d s ASP 47 Ca 0.34 -0.60 0.12 0.00 0.43 0.00 0.00 52.55 52.85 1y7d s ASP 47 Cb -0.08 -2.28 0.38 0.00 -0.30 0.00 0.00 42.92 40.64 1y7d s ASP 47 CO 0.27 -0.74 1.29 0.18 -0.17 0.00 0.00 175.17 176.00 1y7d n LEU 48 N 6.00 2.45 -4.78 -1.34 4.77 -1.26 -4.49 117.00 118.35 1y7d n LEU 48 Ca -0.05 -1.23 -0.33 0.00 -0.03 0.00 0.00 56.01 54.38 1y7d n LEU 48 Cb 0.47 -0.33 0.04 0.00 -2.33 0.00 0.00 43.42 41.28 1y7d n LEU 48 CO 0.51 0.54 0.73 -0.94 -1.33 0.00 0.00 177.39 176.91 1y7d s SER 49 N -0.92 5.22 0.16 -1.43 1.04 -1.26 -4.93 113.70 111.58 1y7d s SER 49 Ca 0.28 1.94 -0.33 0.00 0.48 0.00 0.00 55.95 58.32 1y7d s SER 49 Cb 0.16 -2.54 -0.13 0.00 0.10 0.00 0.00 66.02 63.61 1y7d s SER 49 CO 0.17 -1.55 1.69 1.57 0.98 0.00 0.00 173.24 176.10 1y7d n HIS 50 N -2.43 2.49 -0.95 5.02 -0.00 -1.26 -1.87 115.22 116.22 1y7d n HIS 50 Ca 0.10 0.11 0.00 0.00 0.46 0.00 0.00 57.72 58.39 1y7d n HIS 50 Cb 0.52 -2.62 0.00 0.00 -0.12 0.00 0.00 29.99 27.77 1y7d n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1y7d n GLY 51 N 3.79 0.51 3.76 1.57 0.00 -1.26 -5.00 105.19 108.56 1y7d n GLY 51 Ca 0.17 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1y7d n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y7d s SER 52 N -2.10 6.42 0.48 1.61 1.04 -0.78 -4.88 113.70 115.49 1y7d s SER 52 Ca 0.00 2.94 0.23 0.00 0.48 0.00 0.00 55.95 59.61 1y7d s SER 52 Cb 0.00 -2.65 1.25 0.00 0.10 0.00 0.00 66.02 64.72 1y7d s SER 52 CO 0.00 -0.85 2.01 0.00 0.98 0.00 0.00 173.24 175.38 1y7d h ALA 53 N 3.99 1.35 -0.23 5.32 0.00 -1.91 -0.49 119.26 127.30 1y7d h ALA 53 Ca -0.49 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.14 1y7d h ALA 53 Cb 1.23 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1y7d h ALA 53 CO 0.72 0.21 -0.38 1.96 0.00 0.00 0.00 179.25 181.76 1y7d h GLN 54 N 0.00 0.66 -0.52 0.00 4.20 -1.90 -0.38 115.11 117.18 1y7d h GLN 54 Ca -0.00 -0.40 -0.08 0.00 0.06 0.00 0.00 58.65 58.22 1y7d h GLN 54 Cb 0.40 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 1y7d h GLN 54 CO 0.02 1.02 -0.00 0.28 -0.67 0.00 0.00 178.83 179.48 1y7d h VAL 55 N 0.37 1.26 -0.14 -0.54 2.07 -1.67 -1.70 116.25 115.90 1y7d h VAL 55 Ca 0.02 -1.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.43 1y7d h VAL 55 Cb 0.97 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 1y7d h VAL 55 CO 0.09 0.39 0.06 0.11 0.02 0.00 0.00 177.57 178.23 1y7d h LYS 56 N 0.79 0.21 -0.29 1.57 1.57 -0.99 -0.69 116.57 118.73 1y7d h LYS 56 Ca 0.15 -0.04 0.03 0.00 -1.87 0.00 0.00 60.65 58.92 1y7d h LYS 56 Cb 0.53 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 1y7d h LYS 56 CO 0.03 0.29 0.10 0.78 -0.57 0.00 0.00 179.45 180.08 1y7d h GLY 57 N 0.08 0.36 1.50 3.86 0.00 -1.03 -1.88 103.07 105.96 1y7d h GLY 57 Ca 0.05 -0.06 -0.07 0.00 0.00 0.00 0.00 47.33 47.25 1y7d h GLY 57 CO -0.00 0.03 -0.06 0.84 0.00 0.00 0.00 176.54 177.34 1y7d h HIS 58 N 0.23 0.65 -0.84 5.60 -0.00 -1.20 -2.00 115.15 117.59 1y7d h HIS 58 Ca 0.13 -0.09 -0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1y7d h HIS 58 Cb 0.10 -0.18 -0.04 0.00 -0.00 0.00 0.00 27.41 27.29 1y7d h HIS 58 CO -0.13 0.67 0.51 0.78 -0.00 0.00 0.00 177.93 179.75 1y7d h GLY 59 N 0.93 1.21 0.94 5.26 0.00 -0.60 -1.50 103.07 109.31 1y7d h GLY 59 Ca 0.11 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 1y7d h GLY 59 CO 0.02 0.49 -0.15 1.70 0.00 0.00 0.00 176.54 178.60 1y7d h LYS 60 N 1.15 -0.41 -0.53 4.80 3.64 -0.88 -1.60 116.57 122.73 1y7d h LYS 60 Ca 0.30 0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.81 1y7d h LYS 60 Cb -0.05 0.09 -0.09 0.00 -0.41 0.00 0.00 32.23 31.78 1y7d h LYS 60 CO -0.06 -0.23 0.01 0.87 -2.27 0.00 0.00 179.45 177.77 1y7d h LYS 61 N -0.50 0.12 -0.45 1.90 1.57 -1.02 0.35 116.57 118.54 1y7d h LYS 61 Ca -0.04 -0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.65 1y7d h LYS 61 Cb 0.38 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.64 1y7d h LYS 61 CO 0.07 0.08 -0.04 0.28 -0.57 0.00 0.00 179.45 179.28 1y7d h VAL 62 N 0.13 1.27 0.07 0.50 2.07 -1.22 -2.30 116.25 116.76 1y7d h VAL 62 Ca 0.27 -1.11 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 1y7d h VAL 62 Cb 0.42 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1y7d h VAL 62 CO -0.44 0.38 -0.03 0.00 0.02 0.00 0.00 177.57 177.50 1y7d h ALA 63 N 0.89 -0.09 -0.65 1.67 0.00 -0.49 -1.78 119.26 118.82 1y7d h ALA 63 Ca 0.12 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.11 1y7d h ALA 63 Cb 0.55 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 1y7d h ALA 63 CO 0.03 -0.55 0.29 -0.44 0.00 0.00 0.00 179.25 178.58 1y7d h ASP 64 N -0.09 0.35 -0.37 0.00 5.19 -0.25 -1.33 116.42 119.93 1y7d h ASP 64 Ca -0.01 0.07 -0.05 0.00 -0.62 0.00 0.00 57.03 56.42 1y7d h ASP 64 Cb 0.07 0.02 -0.02 0.00 0.18 0.00 0.00 39.33 39.57 1y7d h ASP 64 CO 0.01 0.20 0.07 0.00 -3.12 0.00 0.00 179.24 176.41 1y7d h ALA 65 N 1.42 1.29 -0.60 3.45 0.00 -1.09 -2.23 119.26 121.50 1y7d h ALA 65 Ca 0.33 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1y7d h ALA 65 Cb 0.37 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1y7d h ALA 65 CO -0.28 0.49 0.09 -0.07 0.00 0.00 0.00 179.25 179.48 1y7d h LEU 66 N 0.66 0.97 0.10 0.00 3.38 -0.39 -1.65 115.31 118.37 1y7d h LEU 66 Ca 0.14 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1y7d h LEU 66 Cb 0.30 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1y7d h LEU 66 CO 0.00 0.98 -0.12 0.74 0.09 0.00 0.00 178.44 180.14 1y7d h THR 67 N 0.91 0.73 -0.26 0.22 2.02 -1.07 0.68 112.91 116.15 1y7d h THR 67 Ca 0.18 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.35 1y7d h THR 67 Cb 0.43 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 1y7d h THR 67 CO 0.01 0.00 0.10 -1.13 0.37 0.00 0.00 175.52 174.88 1y7d h ASN 68 N -0.25 0.32 -0.13 4.18 -1.24 -1.30 -0.08 115.58 117.08 1y7d h ASN 68 Ca 0.01 -0.02 -0.20 0.00 0.71 0.00 0.00 56.30 56.80 1y7d h ASN 68 Cb 0.25 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.22 1y7d h ASN 68 CO -0.05 0.29 -0.67 0.00 -1.29 0.00 0.00 177.43 175.71 1y7d h ALA 69 N 1.76 0.43 -0.08 1.57 0.00 -0.62 -1.89 119.26 120.43 1y7d h ALA 69 Ca 0.09 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 1y7d h ALA 69 Cb 0.08 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1y7d h ALA 69 CO -0.01 0.69 0.01 0.28 0.00 0.00 0.00 179.25 180.22 1y7d h VAL 70 N 0.55 1.23 -0.71 0.00 2.07 0.31 -0.96 116.25 118.73 1y7d h VAL 70 Ca -0.02 -0.72 0.14 0.00 0.82 0.00 0.00 66.70 66.92 1y7d h VAL 70 Cb 1.28 1.56 -0.05 0.00 -1.52 0.00 0.00 31.29 32.57 1y7d h VAL 70 CO 0.14 0.20 0.48 0.00 0.02 0.00 0.00 177.57 178.41 1y7d h ALA 71 N 0.75 2.10 -0.71 1.67 0.00 -1.08 -2.19 119.26 119.80 1y7d h ALA 71 Ca 0.02 -0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.43 1y7d h ALA 71 Cb 0.31 -0.06 -0.33 0.00 0.00 0.00 0.00 17.79 17.70 1y7d h ALA 71 CO 0.00 -0.28 -0.35 0.72 0.00 0.00 0.00 179.25 179.35 1y7d n HIS 72 N -4.47 2.48 0.29 0.00 8.25 -0.71 -4.83 115.22 116.23 1y7d n HIS 72 Ca 0.13 -2.27 0.18 0.00 -0.26 0.00 0.00 57.72 55.50 1y7d n HIS 72 Cb 0.49 -0.59 0.98 0.00 1.12 0.00 0.00 29.99 31.99 1y7d n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1y7d h VAL 73 N 1.71 0.25 0.00 1.59 3.04 -0.50 0.14 116.25 122.48 1y7d h VAL 73 Ca 0.38 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.07 1y7d h VAL 73 Cb 1.38 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 31.56 1y7d h VAL 73 CO 0.85 0.00 -0.47 0.47 -1.01 0.00 0.00 177.57 177.40 1y7d n ASP 74 N -3.42 0.70 -2.80 3.17 8.00 -1.26 -4.33 116.55 116.61 1y7d n ASP 74 Ca -0.01 0.21 -0.01 0.00 0.71 0.00 0.00 54.79 55.68 1y7d n ASP 74 Cb 0.20 -0.05 0.06 0.00 -0.02 0.00 0.00 41.12 41.30 1y7d n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1y7d n ASP 75 N -2.10 1.26 -0.05 -2.24 2.03 0.41 -4.98 116.55 110.88 1y7d n ASP 75 Ca 0.04 -2.12 -0.08 0.00 0.52 0.00 0.00 54.79 53.15 1y7d n ASP 75 Cb 0.43 -0.37 -0.02 0.00 -0.72 0.00 0.00 41.12 40.44 1y7d n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1y7d h MET 76 N 2.52 -0.11 -1.02 -0.67 2.86 -1.52 0.19 114.93 117.17 1y7d h MET 76 Ca -0.16 0.01 0.27 0.00 -2.06 0.00 0.00 59.70 57.75 1y7d h MET 76 Cb 1.26 0.03 -0.12 0.00 0.06 0.00 0.00 31.60 32.83 1y7d h MET 76 CO 0.18 -0.08 0.62 -1.35 1.06 0.00 0.00 176.91 177.35 1y7d h PRO 77 N -0.12 0.47 0.17 -0.22 0.11 -1.94 0.70 132.00 131.17 1y7d h PRO 77 Ca 0.13 -0.03 -0.27 0.00 0.11 0.00 0.00 66.00 65.94 1y7d h PRO 77 Cb 0.31 -0.11 0.02 0.00 0.11 0.00 0.00 31.00 31.33 1y7d h PRO 77 CO -0.30 0.31 -1.29 -0.91 -0.21 0.00 0.00 178.00 175.60 1y7d h ASN 78 N 0.49 0.55 0.28 -2.05 4.21 -1.76 -2.91 115.58 114.38 1y7d h ASN 78 Ca 0.65 -0.91 -0.03 0.00 1.21 0.00 0.00 56.30 57.22 1y7d h ASN 78 Cb 1.39 -0.18 -0.00 0.00 -1.12 0.00 0.00 38.32 38.41 1y7d h ASN 78 CO -0.45 1.59 -0.14 0.00 -1.29 0.00 0.00 177.43 177.14 1y7d h ALA 79 N 0.06 1.44 -0.27 -0.83 0.00 0.15 -3.13 119.26 116.69 1y7d h ALA 79 Ca -0.25 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1y7d h ALA 79 Cb 1.86 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.63 1y7d h ALA 79 CO 0.15 0.18 0.00 1.28 0.00 0.00 0.00 179.25 180.86 1y7d n LEU 80 N -3.90 3.94 -0.09 0.00 4.77 0.22 -4.77 117.00 117.17 1y7d n LEU 80 Ca -0.02 -3.05 -0.09 0.00 -0.03 0.00 0.00 56.01 52.82 1y7d n LEU 80 Cb 0.23 -0.55 -0.03 0.00 -2.33 0.00 0.00 43.42 40.74 1y7d n LEU 80 CO 0.32 0.69 0.62 0.77 -1.33 0.00 0.00 177.39 178.47 1y7d h SER 81 N 1.81 -1.15 -0.66 -1.43 4.64 -1.45 0.67 113.55 115.98 1y7d h SER 81 Ca 0.01 0.19 0.08 0.00 -0.47 0.00 0.00 61.79 61.59 1y7d h SER 81 Cb 1.47 0.52 -0.06 0.00 -0.31 0.00 0.00 62.40 64.01 1y7d h SER 81 CO 0.24 -0.35 0.33 0.00 -0.87 0.00 0.00 176.83 176.18 1y7d h ALA 82 N 0.57 0.89 -0.24 5.18 0.00 -1.86 -1.82 119.26 121.98 1y7d h ALA 82 Ca 0.14 0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.96 1y7d h ALA 82 Cb 0.56 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1y7d h ALA 82 CO -0.50 -0.05 -0.41 -0.07 0.00 0.00 0.00 179.25 178.23 1y7d h LEU 83 N 0.58 0.59 -0.85 0.00 4.07 -1.73 -1.42 115.31 116.55 1y7d h LEU 83 Ca 0.31 -0.26 -0.07 0.00 0.08 0.00 0.00 57.88 57.95 1y7d h LEU 83 Cb 0.29 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 41.84 1y7d h LEU 83 CO -0.24 0.93 0.13 0.28 -1.08 0.00 0.00 178.44 178.46 1y7d h SER 84 N 0.46 0.93 0.76 -0.43 0.02 -0.30 -2.53 113.55 112.45 1y7d h SER 84 Ca 0.04 -0.20 -0.04 0.00 -0.84 0.00 0.00 61.79 60.76 1y7d h SER 84 Cb 0.91 -0.25 0.01 0.00 0.14 0.00 0.00 62.40 63.21 1y7d h SER 84 CO 0.08 0.92 -0.36 0.44 -1.14 0.00 0.00 176.83 176.76 1y7d h ASP 85 N 0.94 -0.86 -0.53 3.07 3.32 -1.23 -1.58 116.42 119.54 1y7d h ASP 85 Ca 0.20 0.03 0.11 0.00 0.02 0.00 0.00 57.03 57.38 1y7d h ASP 85 Cb 0.37 0.22 -0.10 0.00 0.22 0.00 0.00 39.33 40.04 1y7d h ASP 85 CO 0.00 -0.49 -0.15 0.25 -1.72 0.00 0.00 179.24 177.14 1y7d h LEU 86 N -1.26 -0.54 -0.19 1.55 5.85 -1.24 0.92 115.31 120.40 1y7d h LEU 86 Ca -0.10 0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 1y7d h LEU 86 Cb 0.78 0.35 -0.01 0.00 0.37 0.00 0.00 40.66 42.15 1y7d h LEU 86 CO 0.17 -0.19 0.04 0.45 -0.34 0.00 0.00 178.44 178.58 1y7d h HIS 87 N -0.02 0.33 -0.03 1.25 3.86 -1.55 0.14 115.15 119.13 1y7d h HIS 87 Ca 0.25 -0.04 -0.17 0.00 -1.16 0.00 0.00 60.37 59.26 1y7d h HIS 87 Cb 0.41 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 1y7d h HIS 87 CO -0.46 0.44 -0.72 0.00 0.86 0.00 0.00 177.93 178.05 1y7d h ALA 88 N 0.85 0.73 0.00 2.45 0.00 -0.82 0.77 119.26 123.24 1y7d h ALA 88 Ca 0.06 -0.63 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 1y7d h ALA 88 Cb 0.28 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1y7d h ALA 88 CO 0.00 0.82 -1.40 0.72 0.00 0.00 0.00 179.25 179.39 1y7d n HIS 89 N -3.76 0.00 0.00 0.00 8.25 0.28 -4.60 115.22 115.39 1y7d n HIS 89 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1y7d n HIS 89 Cb 0.70 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 31.59 1y7d n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1y7d n LYS 90 N -1.88 0.00 -0.18 -0.41 4.81 0.32 -4.84 118.16 115.98 1y7d n LYS 90 Ca -0.04 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.33 1y7d n LYS 90 Cb 0.32 -0.24 0.02 0.00 0.02 0.00 0.00 35.03 35.14 1y7d n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1y7d h LEU 91 N 0.00 0.61 -1.59 3.14 3.38 -1.22 -3.48 115.31 116.16 1y7d h LEU 91 Ca 0.00 -0.05 -0.46 0.00 0.09 0.00 0.00 57.88 57.46 1y7d h LEU 91 Cb 0.00 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1y7d h LEU 91 CO 0.00 0.48 -0.83 0.54 0.09 0.00 0.00 178.44 178.72 1y7d n ARG 92 N -4.69 -4.48 -2.20 1.13 1.74 0.26 -4.93 116.66 103.49 1y7d n ARG 92 Ca 0.03 0.54 -0.41 0.00 -0.77 0.00 0.00 57.85 57.23 1y7d n ARG 92 Cb 0.04 -5.06 -0.03 0.00 -1.02 0.00 0.00 32.46 26.39 1y7d n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1y7d s VAL 93 N -3.64 3.19 0.33 1.55 1.01 -1.26 -4.95 120.40 116.63 1y7d s VAL 93 Ca 0.20 0.96 -0.29 0.00 0.00 0.00 0.00 61.98 62.85 1y7d s VAL 93 Cb -0.10 -3.61 -0.11 0.00 0.00 0.00 0.00 36.38 32.56 1y7d s VAL 93 CO 0.85 0.13 1.51 -0.62 0.00 0.00 0.00 175.10 176.96 1y7d s ASP 94 N 0.48 6.41 0.54 3.32 2.15 -1.26 -4.87 116.67 123.44 1y7d s ASP 94 Ca 0.58 2.96 0.29 0.00 0.43 0.00 0.00 52.55 56.82 1y7d s ASP 94 Cb -0.37 -2.65 1.45 0.00 -0.30 0.00 0.00 42.92 41.05 1y7d s ASP 94 CO 0.37 -0.85 1.93 -0.65 -0.17 0.00 0.00 175.17 175.80 1y7d h PRO 95 N 3.82 0.00 0.00 4.34 0.11 -2.00 -1.97 132.00 136.30 1y7d h PRO 95 Ca -0.49 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1y7d h PRO 95 Cb 1.23 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1y7d h PRO 95 CO 0.70 0.00 -0.02 0.28 -0.21 0.00 0.00 178.00 178.75 1y7d h VAL 96 N 0.00 0.84 0.00 3.15 2.07 -2.03 -2.49 116.25 117.79 1y7d h VAL 96 Ca 0.35 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.72 1y7d h VAL 96 Cb 1.41 1.05 -0.01 0.00 -1.52 0.00 0.00 31.29 32.22 1y7d h VAL 96 CO -0.00 0.02 -0.25 0.78 0.02 0.00 0.00 177.57 178.14 1y7d h ASN 97 N 0.00 0.00 -0.23 0.57 4.21 -1.72 -2.84 115.58 115.58 1y7d h ASN 97 Ca -0.00 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.44 1y7d h ASN 97 Cb 0.05 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.23 1y7d h ASN 97 CO 0.00 0.25 -0.08 -0.26 -1.29 0.00 0.00 177.43 176.06 1y7d h PHE 98 N 0.00 0.63 0.00 1.19 0.04 -1.62 -2.24 116.94 114.94 1y7d h PHE 98 Ca -0.00 -0.09 -0.07 0.00 2.80 0.00 0.00 57.97 60.61 1y7d h PHE 98 Cb 0.66 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.63 1y7d h PHE 98 CO 0.00 0.66 -0.32 0.87 -0.60 0.00 0.00 178.31 178.92 1y7d h LYS 99 N 0.55 0.00 0.02 1.51 1.57 -1.65 -1.11 116.57 117.46 1y7d h LYS 99 Ca 0.11 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.70 1y7d h LYS 99 Cb 0.47 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.79 1y7d h LYS 99 CO 0.02 0.32 -0.73 -0.07 -0.57 0.00 0.00 179.45 178.42 1y7d h LEU 100 N 0.00 0.60 -0.48 2.94 3.38 -1.51 -2.55 115.31 117.69 1y7d h LEU 100 Ca -0.00 -0.78 -0.14 0.00 0.09 0.00 0.00 57.88 57.05 1y7d h LEU 100 Cb 0.58 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1y7d h LEU 100 CO 0.04 1.31 -0.23 0.25 0.09 0.00 0.00 178.44 179.90 1y7d h LEU 101 N -0.04 1.03 0.02 1.67 6.46 -1.33 -2.48 115.31 120.65 1y7d h LEU 101 Ca -0.10 -0.40 -0.00 0.00 -0.12 0.00 0.00 57.88 57.26 1y7d h LEU 101 Cb 1.45 -0.29 0.00 0.00 -0.73 0.00 0.00 40.66 41.09 1y7d h LEU 101 CO 0.14 1.21 -0.01 0.28 -0.62 0.00 0.00 178.44 179.44 1y7d h SER 102 N 0.86 -0.02 -0.57 1.25 0.02 -1.23 -1.95 113.55 111.90 1y7d h SER 102 Ca 0.11 -0.01 0.07 0.00 -0.84 0.00 0.00 61.79 61.12 1y7d h SER 102 Cb 0.82 0.01 -0.06 0.00 0.14 0.00 0.00 62.40 63.30 1y7d h SER 102 CO 0.07 -0.00 0.24 -0.74 -1.14 0.00 0.00 176.83 175.26 1y7d h HIS 103 N -0.04 0.44 0.00 3.45 -0.00 -1.41 -1.73 115.15 115.85 1y7d h HIS 103 Ca -0.00 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.36 1y7d h HIS 103 Cb 0.04 -0.11 -0.00 0.00 -0.00 0.00 0.00 27.41 27.33 1y7d h HIS 103 CO -0.07 0.16 -0.16 0.00 -0.00 0.00 0.00 177.93 177.86 1y7d h LEU 105 N 0.00 0.86 0.36 0.00 5.85 -0.55 -2.29 115.31 119.54 1y7d h LEU 105 Ca -0.00 -0.74 -0.02 0.00 0.84 0.00 0.00 57.88 57.96 1y7d h LEU 105 Cb 0.40 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1y7d h LEU 105 CO 0.02 1.48 -0.17 -0.07 -0.34 0.00 0.00 178.44 179.36 1y7d h LEU 106 N 0.32 -0.41 -0.65 2.25 3.38 -1.02 -0.70 115.31 118.49 1y7d h LEU 106 Ca -0.12 -0.06 0.13 0.00 0.09 0.00 0.00 57.88 57.92 1y7d h LEU 106 Cb 1.63 0.11 -0.09 0.00 0.09 0.00 0.00 40.66 42.39 1y7d h LEU 106 CO 0.19 -0.20 0.16 0.58 0.09 0.00 0.00 178.44 179.26 1y7d h VAL 107 N -0.60 0.61 -0.73 1.22 2.07 -1.41 0.10 116.25 117.52 1y7d h VAL 107 Ca -0.05 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.33 1y7d h VAL 107 Cb 0.44 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 1y7d h VAL 107 CO 0.08 0.05 0.30 0.74 0.02 0.00 0.00 177.57 178.76 1y7d h THR 108 N 0.29 1.25 -0.13 2.57 2.02 -1.20 -2.57 112.91 115.14 1y7d h THR 108 Ca 0.35 -0.77 -0.03 0.00 0.77 0.00 0.00 66.41 66.73 1y7d h THR 108 Cb 0.54 0.40 -0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1y7d h THR 108 CO -0.43 0.31 -0.03 -0.07 0.37 0.00 0.00 175.52 175.67 1y7d h LEU 109 N 1.04 0.25 -0.75 2.58 3.38 0.47 -2.84 115.31 119.44 1y7d h LEU 109 Ca 0.24 -0.38 0.14 0.00 0.09 0.00 0.00 57.88 57.98 1y7d h LEU 109 Cb 0.20 -0.07 -0.10 0.00 0.09 0.00 0.00 40.66 40.78 1y7d h LEU 109 CO -0.02 0.57 0.28 0.00 0.09 0.00 0.00 178.44 179.36 1y7d h ALA 110 N 0.69 1.04 0.00 1.53 0.00 -0.83 0.33 119.26 122.02 1y7d h ALA 110 Ca 0.03 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1y7d h ALA 110 Cb 0.46 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1y7d h ALA 110 CO 0.01 -0.23 -0.14 0.00 0.00 0.00 0.00 179.25 178.90 1y7d h ALA 111 N 1.55 1.02 0.00 0.00 0.00 -1.41 -3.28 119.26 117.14 1y7d h ALA 111 Ca 0.41 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 1y7d h ALA 111 Cb 0.63 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1y7d h ALA 111 CO -0.41 0.17 -1.61 0.72 0.00 0.00 0.00 179.25 178.12 1y7d n HIS 112 N -3.29 0.00 -2.94 0.00 8.25 -0.65 -4.77 115.22 111.82 1y7d n HIS 112 Ca 0.00 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.24 1y7d n HIS 112 Cb 0.38 -0.37 -0.03 0.00 1.12 0.00 0.00 29.99 31.10 1y7d n HIS 112 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1y7d n LEU 113 N -2.11 3.07 -0.09 2.41 4.77 0.11 -4.95 117.00 120.22 1y7d n LEU 113 Ca -0.08 -5.23 -0.07 0.00 -0.03 0.00 0.00 56.01 50.60 1y7d n LEU 113 Cb 0.53 -0.05 -0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1y7d n LEU 113 CO 0.24 2.25 0.73 1.55 -1.33 0.00 0.00 177.39 180.82 1y7d h PRO 114 N 2.94 -0.14 -0.93 3.23 0.13 -1.78 0.30 132.00 135.74 1y7d h PRO 114 Ca 0.12 0.01 0.03 0.00 -0.87 0.00 0.00 66.00 65.29 1y7d h PRO 114 Cb 0.77 0.03 -0.05 0.00 0.13 0.00 0.00 31.00 31.88 1y7d h PRO 114 CO 0.69 -0.10 0.61 0.00 -0.23 0.00 0.00 178.00 178.98 1y7d h ALA 115 N 1.05 1.39 0.00 -0.56 0.00 -1.92 -3.04 119.26 116.18 1y7d h ALA 115 Ca 0.17 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1y7d h ALA 115 Cb 0.41 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1y7d h ALA 115 CO -0.42 0.53 -0.63 0.93 0.00 0.00 0.00 179.25 179.65 1y7d h GLU 116 N 1.19 0.00 -3.02 0.00 3.07 -1.71 -3.40 114.58 110.71 1y7d h GLU 116 Ca 0.36 0.00 -0.55 0.00 -0.50 0.00 0.00 59.36 58.68 1y7d h GLU 116 Cb -0.02 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 27.91 1y7d h GLU 116 CO -0.10 0.27 3.14 0.34 -1.40 0.00 0.00 179.01 181.25 1y7d n PHE 117 N -3.05 1.92 -1.79 4.33 7.35 0.95 -4.77 117.46 122.40 1y7d n PHE 117 Ca -0.00 -2.64 -0.29 0.00 -0.76 0.00 0.00 57.45 53.75 1y7d n PHE 117 Cb 0.68 -2.19 0.08 0.00 0.35 0.00 0.00 39.48 38.40 1y7d n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1y7d s THR 118 N 2.37 2.66 0.22 -2.13 -4.23 -1.26 -4.75 115.64 108.51 1y7d s THR 118 Ca 0.61 0.21 -0.08 0.00 -1.18 0.00 0.00 61.69 61.26 1y7d s THR 118 Cb 0.17 -3.14 0.16 0.00 1.34 0.00 0.00 72.50 71.04 1y7d s THR 118 CO -0.05 -0.28 1.79 -0.65 -0.54 0.00 0.00 174.62 174.89 1y7d h PRO 119 N -0.99 0.60 -0.50 3.99 0.11 -1.99 0.27 132.00 133.49 1y7d h PRO 119 Ca -0.46 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.50 1y7d h PRO 119 Cb 1.30 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1y7d h PRO 119 CO 0.64 0.40 -0.12 0.00 -0.21 0.00 0.00 178.00 178.70 1y7d h ALA 120 N 1.40 0.84 -0.13 -0.75 0.00 -1.96 -2.16 119.26 116.50 1y7d h ALA 120 Ca 0.33 -0.35 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1y7d h ALA 120 Cb 0.31 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1y7d h ALA 120 CO -0.24 0.65 -0.55 0.28 0.00 0.00 0.00 179.25 179.38 1y7d h VAL 121 N 0.83 1.34 0.01 0.00 2.07 -1.58 -2.70 116.25 116.23 1y7d h VAL 121 Ca 0.13 -1.84 -0.00 0.00 0.82 0.00 0.00 66.70 65.81 1y7d h VAL 121 Cb 0.66 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.28 1y7d h VAL 121 CO 0.05 0.56 -0.00 -0.74 0.02 0.00 0.00 177.57 177.45 1y7d h HIS 122 N 0.31 -0.01 -0.67 1.57 6.17 -0.34 -1.33 115.15 120.85 1y7d h HIS 122 Ca 0.00 -0.00 0.05 0.00 0.71 0.00 0.00 60.37 61.13 1y7d h HIS 122 Cb 1.07 0.00 -0.05 0.00 2.52 0.00 0.00 27.41 30.95 1y7d h HIS 122 CO 0.03 -0.00 0.40 0.00 0.71 0.00 0.00 177.93 179.06 1y7d h ALA 123 N 0.98 0.89 -0.10 5.26 0.00 -1.35 -1.58 119.26 123.37 1y7d h ALA 123 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1y7d h ALA 123 Cb 0.01 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1y7d h ALA 123 CO 0.00 0.11 -0.04 0.77 0.00 0.00 0.00 179.25 180.09 1y7d h SER 124 N 0.75 0.21 -0.83 0.00 0.02 -1.30 -1.70 113.55 110.71 1y7d h SER 124 Ca 0.29 -0.41 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 1y7d h SER 124 Cb 0.12 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.56 1y7d h SER 124 CO -0.15 0.57 0.48 -0.07 -1.14 0.00 0.00 176.83 176.52 1y7d h LEU 125 N -0.15 1.01 0.11 5.07 3.38 -1.16 -0.89 115.31 122.68 1y7d h LEU 125 Ca 0.02 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1y7d h LEU 125 Cb 0.49 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1y7d h LEU 125 CO 0.01 0.80 -0.08 -0.78 0.09 0.00 0.00 178.44 178.48 1y7d h ASP 126 N 1.14 -0.22 -1.00 -0.43 3.58 -1.25 0.17 116.42 118.42 1y7d h ASP 126 Ca 0.29 0.02 0.04 0.00 0.42 0.00 0.00 57.03 57.81 1y7d h ASP 126 Cb -0.01 0.07 -0.06 0.00 1.72 0.00 0.00 39.33 41.05 1y7d h ASP 126 CO -0.05 -0.13 0.65 0.11 -2.88 0.00 0.00 179.24 176.93 1y7d h LYS 127 N -0.20 1.20 0.14 0.28 1.57 -0.97 -1.35 116.57 117.24 1y7d h LYS 127 Ca -0.00 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1y7d h LYS 127 Cb 0.18 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1y7d h LYS 127 CO -0.01 0.79 -0.07 0.35 -0.57 0.00 0.00 179.45 179.95 1y7d h PHE 128 N 1.24 -0.17 -0.45 -1.35 3.57 -0.80 0.61 116.94 119.57 1y7d h PHE 128 Ca 0.41 -0.00 -0.09 0.00 3.53 0.00 0.00 57.97 61.82 1y7d h PHE 128 Cb 0.05 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 1y7d h PHE 128 CO -0.00 -0.04 -0.07 -0.07 -2.23 0.00 0.00 178.31 175.89 1y7d h LEU 129 N -0.26 0.77 -0.58 0.59 3.38 -0.45 -1.32 115.31 117.43 1y7d h LEU 129 Ca -0.02 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1y7d h LEU 129 Cb 0.21 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1y7d h LEU 129 CO 0.03 0.88 0.37 0.00 0.09 0.00 0.00 178.44 179.81 1y7d h ALA 130 N 1.20 0.74 -0.60 1.53 0.00 -0.95 0.72 119.26 121.89 1y7d h ALA 130 Ca 0.13 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1y7d h ALA 130 Cb 0.54 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1y7d h ALA 130 CO 0.03 0.20 0.12 0.77 0.00 0.00 0.00 179.25 180.37 1y7d h SER 131 N 0.79 0.94 -0.79 0.00 0.02 -0.38 -0.82 113.55 113.31 1y7d h SER 131 Ca 0.21 -0.25 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 1y7d h SER 131 Cb -0.05 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.21 1y7d h SER 131 CO -0.04 0.95 0.36 0.58 -1.14 0.00 0.00 176.83 177.54 1y7d h VAL 132 N 0.89 1.25 -0.44 2.27 2.07 -0.96 -1.46 116.25 119.87 1y7d h VAL 132 Ca 0.19 -0.74 -0.03 0.00 0.82 0.00 0.00 66.70 66.94 1y7d h VAL 132 Cb 0.40 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1y7d h VAL 132 CO 0.01 0.31 0.14 0.28 0.02 0.00 0.00 177.57 178.33 1y7d h SER 133 N 1.14 0.64 -0.43 0.57 0.02 -0.30 -1.85 113.55 113.34 1y7d h SER 133 Ca 0.27 -0.20 0.02 0.00 -0.84 0.00 0.00 61.79 61.04 1y7d h SER 133 Cb 0.14 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 1y7d h SER 133 CO -0.03 0.67 0.25 0.74 -1.14 0.00 0.00 176.83 177.32 1y7d h THR 134 N 0.58 1.04 -0.18 -2.27 2.02 -0.88 -2.11 112.91 111.10 1y7d h THR 134 Ca 0.14 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.15 1y7d h THR 134 Cb 0.26 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.15 1y7d h THR 134 CO -0.01 0.09 0.09 0.58 0.37 0.00 0.00 175.52 176.65 1y7d h VAL 135 N 0.50 1.12 0.00 3.16 2.07 -1.12 -1.56 116.25 120.43 1y7d h VAL 135 Ca 0.17 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 1y7d h VAL 135 Cb 0.02 1.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1y7d h VAL 135 CO -0.08 0.12 -0.10 -0.07 0.02 0.00 0.00 177.57 177.46 1y7d h LEU 136 N 0.17 0.00 -2.73 2.57 3.38 -1.10 -2.96 115.31 114.64 1y7d h LEU 136 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1y7d h LEU 136 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1y7d h LEU 136 CO -0.01 0.10 0.00 0.35 0.09 0.00 0.00 178.44 178.97 1y7d n THR 137 N -3.43 0.89 0.21 0.22 -2.24 -0.82 -4.46 114.28 104.65 1y7d n THR 137 Ca -0.01 -0.95 0.06 0.00 -2.27 0.00 0.00 64.05 60.89 1y7d n THR 137 Cb 0.25 0.58 0.47 0.00 -2.10 0.00 0.00 70.33 69.53 1y7d n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1y7d h SER 138 N 1.79 0.00 -0.58 3.42 4.64 -1.10 -3.08 113.55 118.64 1y7d h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1y7d h SER 138 Cb 0.67 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.76 1y7d h SER 138 CO 0.00 0.29 0.00 0.29 -0.87 0.00 0.00 176.83 176.54 1y7d n LYS 139 N -3.83 4.43 -0.04 4.77 5.02 -1.26 -4.62 118.16 122.64 1y7d n LYS 139 Ca -0.01 -3.06 -0.02 0.00 -2.02 0.00 0.00 58.31 53.19 1y7d n LYS 139 Cb 0.37 -2.13 0.24 0.00 -0.02 0.00 0.00 35.03 33.49 1y7d n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1y7d h TYR 140 N 3.89 0.64 0.00 2.13 0.99 -1.86 -3.46 116.97 119.31 1y7d h TYR 140 Ca 0.00 -0.08 0.00 0.00 2.00 0.00 0.00 58.73 60.65 1y7d h TYR 140 Cb 1.79 -0.18 0.00 0.00 1.00 0.00 0.00 36.73 39.34 1y7d h TYR 140 CO 0.96 0.64 0.00 2.89 -0.00 0.00 0.00 178.16 182.65