#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y5k s LEU 2 N 0.00 4.53 0.37 7.52 1.43 -1.26 -5.06 118.68 126.20 1y5k s LEU 2 Ca 0.00 1.84 0.07 0.00 -1.03 0.00 0.00 54.13 55.01 1y5k s LEU 2 Cb 0.00 -3.59 -0.01 0.00 0.03 0.00 0.00 46.19 42.62 1y5k s LEU 2 CO 0.00 -0.03 0.48 -0.94 0.23 0.00 0.00 176.35 176.08 1y5k s SER 3 N -0.22 5.72 0.25 2.29 1.04 -1.26 -4.93 113.70 116.58 1y5k s SER 3 Ca 0.46 -0.35 -0.04 0.00 0.48 0.00 0.00 55.95 56.51 1y5k s SER 3 Cb -0.24 -0.95 0.43 0.00 0.10 0.00 0.00 66.02 65.35 1y5k s SER 3 CO 0.31 -0.55 1.80 -0.65 0.98 0.00 0.00 173.24 175.12 1y5k h PRO 4 N 0.86 0.73 -0.29 4.02 0.11 -1.99 -0.99 132.00 134.45 1y5k h PRO 4 Ca -0.43 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 1y5k h PRO 4 Cb 1.26 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1y5k h PRO 4 CO 0.51 0.48 0.12 0.00 -0.21 0.00 0.00 178.00 178.91 1y5k h ALA 5 N 1.48 0.37 -0.64 -0.75 0.00 -1.99 -1.30 119.26 116.44 1y5k h ALA 5 Ca 0.41 -0.11 0.10 0.00 0.00 0.00 0.00 54.91 55.31 1y5k h ALA 5 Cb 0.43 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 1y5k h ALA 5 CO -0.27 -0.05 0.25 -0.44 0.00 0.00 0.00 179.25 178.74 1y5k h ASP 6 N 0.32 0.26 -0.45 0.00 3.32 -1.70 0.40 116.42 118.56 1y5k h ASP 6 Ca 0.10 0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.16 1y5k h ASP 6 Cb 0.16 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.74 1y5k h ASP 6 CO -0.01 0.15 0.04 0.11 -1.72 0.00 0.00 179.24 177.81 1y5k h LYS 7 N 0.44 0.77 -0.25 3.56 1.57 -0.82 0.14 116.57 121.97 1y5k h LYS 7 Ca 0.32 -0.22 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 1y5k h LYS 7 Cb 0.40 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 1y5k h LYS 7 CO -0.31 0.81 0.09 1.15 -0.57 0.00 0.00 179.45 180.62 1y5k h THR 8 N 0.63 1.18 -0.34 -0.16 2.02 -0.82 0.34 112.91 115.75 1y5k h THR 8 Ca 0.13 -0.56 0.05 0.00 0.77 0.00 0.00 66.41 66.81 1y5k h THR 8 Cb 0.43 1.07 -0.05 0.00 -1.74 0.00 0.00 68.15 67.87 1y5k h THR 8 CO 0.01 0.19 0.04 0.78 0.37 0.00 0.00 175.52 176.91 1y5k h ASN 9 N 0.25 -0.05 -0.52 4.18 -0.26 0.13 -1.48 115.58 117.83 1y5k h ASN 9 Ca 0.08 0.06 -0.08 0.00 -0.56 0.00 0.00 56.30 55.81 1y5k h ASN 9 Cb 0.20 0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 37.54 1y5k h ASN 9 CO -0.01 0.01 0.03 0.58 -1.06 0.00 0.00 177.43 176.98 1y5k h VAL 10 N 0.15 1.25 -0.27 2.81 2.07 -0.54 -1.74 116.25 119.99 1y5k h VAL 10 Ca 0.16 -1.05 -0.08 0.00 0.82 0.00 0.00 66.70 66.55 1y5k h VAL 10 Cb 0.20 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1y5k h VAL 10 CO -0.24 0.38 -0.18 0.11 0.02 0.00 0.00 177.57 177.67 1y5k h LYS 11 N 0.88 0.47 0.12 1.57 1.57 -0.49 -0.86 116.57 119.83 1y5k h LYS 11 Ca 0.17 -0.15 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1y5k h LYS 11 Cb 0.48 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.75 1y5k h LYS 11 CO 0.02 0.63 -0.06 0.00 -0.57 0.00 0.00 179.45 179.48 1y5k h ALA 12 N 1.39 -0.16 -0.41 3.86 0.00 -1.16 -1.27 119.26 121.52 1y5k h ALA 12 Ca 0.07 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.78 1y5k h ALA 12 Cb 0.56 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 1y5k h ALA 12 CO 0.04 -0.21 0.21 0.00 0.00 0.00 0.00 179.25 179.29 1y5k h ALA 13 N -0.38 0.52 -0.51 0.00 0.00 -1.33 -2.02 119.26 115.55 1y5k h ALA 13 Ca -0.02 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1y5k h ALA 13 Cb 0.52 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1y5k h ALA 13 CO 0.03 -0.14 0.03 2.35 0.00 0.00 0.00 179.25 181.52 1y5k h TRP 14 N 0.43 0.88 -0.83 0.00 2.91 -1.24 -1.20 115.95 116.89 1y5k h TRP 14 Ca 0.17 -0.12 0.15 0.00 1.13 0.00 0.00 58.89 60.23 1y5k h TRP 14 Cb 0.07 -0.24 -0.06 0.00 -0.51 0.00 0.00 29.16 28.42 1y5k h TRP 14 CO -0.10 0.79 0.54 0.78 -1.03 0.00 0.00 178.44 179.43 1y5k h GLY 15 N 0.98 0.91 1.40 2.65 0.00 -0.71 -1.91 103.07 106.40 1y5k h GLY 15 Ca 0.16 -0.22 -0.24 0.00 0.00 0.00 0.00 47.33 47.02 1y5k h GLY 15 CO 0.02 0.06 -0.96 0.50 0.00 0.00 0.00 176.54 176.16 1y5k h LYS 16 N 0.52 0.54 -0.96 4.80 1.79 -0.53 -2.69 116.57 120.04 1y5k h LYS 16 Ca 0.41 -0.56 0.26 0.00 -2.18 0.00 0.00 60.65 58.57 1y5k h LYS 16 Cb 0.85 0.16 -0.13 0.00 -1.58 0.00 0.00 32.23 31.52 1y5k h LYS 16 CO -0.16 1.19 0.50 0.28 -1.08 0.00 0.00 179.45 180.18 1y5k h VAL 17 N 0.31 0.44 0.00 0.50 2.07 -0.82 -3.44 116.25 115.31 1y5k h VAL 17 Ca -0.09 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1y5k h VAL 17 Cb 1.60 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 1y5k h VAL 17 CO 0.18 0.08 0.00 0.61 0.02 0.00 0.00 177.57 178.45 1y5k n GLY 18 N -1.32 2.96 2.62 2.17 0.00 -0.96 -1.72 105.19 108.95 1y5k n GLY 18 Ca 0.26 -0.08 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1y5k n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y5k n ALA 19 N 9.20 6.29 -0.59 4.61 0.00 -1.26 -3.53 120.51 135.22 1y5k n ALA 19 Ca 0.00 -4.32 0.00 0.00 0.00 0.00 0.00 53.44 49.12 1y5k n ALA 19 Cb 0.00 -2.61 0.00 0.00 0.00 0.00 0.00 19.45 16.84 1y5k n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1y5k n HIS 20 N 1.51 0.00 -0.20 0.00 -0.00 -0.70 -4.90 115.22 110.93 1y5k n HIS 20 Ca 0.52 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 58.15 1y5k n HIS 20 Cb 0.27 0.00 -0.07 0.00 -0.00 0.00 0.00 29.99 30.19 1y5k n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1y5k h ALA 21 N 0.00 -0.55 -0.59 -1.41 0.00 -1.70 0.15 119.26 115.17 1y5k h ALA 21 Ca 0.00 0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.07 1y5k h ALA 21 Cb 0.29 1.14 -0.11 0.00 0.00 0.00 0.00 17.79 19.12 1y5k h ALA 21 CO 0.00 -0.79 -0.09 0.78 0.00 0.00 0.00 179.25 179.14 1y5k h GLY 22 N -0.16 0.50 1.05 0.00 0.00 -1.86 0.23 103.07 102.83 1y5k h GLY 22 Ca 0.08 0.15 -0.08 0.00 0.00 0.00 0.00 47.33 47.48 1y5k h GLY 22 CO -0.56 -0.21 0.07 -2.09 0.00 0.00 0.00 176.54 173.75 1y5k h GLU 23 N 0.04 1.03 -0.10 4.80 4.81 -1.41 -2.43 114.58 121.33 1y5k h GLU 23 Ca 0.29 -0.29 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1y5k h GLU 23 Cb 0.46 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1y5k h GLU 23 CO -0.57 0.98 -0.22 1.88 -0.73 0.00 0.00 179.01 180.36 1y5k h TYR 24 N 0.94 0.18 -0.26 0.92 0.05 0.14 -1.90 116.97 117.04 1y5k h TYR 24 Ca 0.18 -0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.93 1y5k h TYR 24 Cb 0.47 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 38.14 1y5k h TYR 24 CO 0.03 0.38 0.13 0.78 -1.05 0.00 0.00 178.16 178.43 1y5k h GLY 25 N 0.84 0.39 1.02 3.88 0.00 -0.19 0.03 103.07 109.04 1y5k h GLY 25 Ca 0.03 -0.19 -0.06 0.00 0.00 0.00 0.00 47.33 47.10 1y5k h GLY 25 CO 0.03 0.18 0.11 0.00 0.00 0.00 0.00 176.54 176.86 1y5k h ALA 26 N 1.00 0.77 -0.49 3.60 0.00 -1.31 -0.44 119.26 122.39 1y5k h ALA 26 Ca 0.09 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1y5k h ALA 26 Cb 0.10 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1y5k h ALA 26 CO -0.01 0.50 0.24 1.49 0.00 0.00 0.00 179.25 181.47 1y5k h GLU 27 N 0.85 0.70 -0.63 0.00 4.81 -1.13 -0.39 114.58 118.79 1y5k h GLU 27 Ca 0.18 -0.10 0.09 0.00 -0.13 0.00 0.00 59.36 59.41 1y5k h GLU 27 Cb 0.39 -0.13 -0.07 0.00 0.63 0.00 0.00 28.75 29.57 1y5k h GLU 27 CO 0.01 0.58 0.25 0.00 -0.73 0.00 0.00 179.01 179.11 1y5k h ALA 28 N 1.08 0.82 -0.22 2.92 0.00 -0.63 0.15 119.26 123.38 1y5k h ALA 28 Ca 0.17 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 1y5k h ALA 28 Cb 0.10 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1y5k h ALA 28 CO -0.02 -0.17 0.06 -0.07 0.00 0.00 0.00 179.25 179.05 1y5k h LEU 29 N 0.44 0.33 -0.64 0.00 3.38 -0.54 -0.48 115.31 117.79 1y5k h LEU 29 Ca 0.32 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 58.09 1y5k h LEU 29 Cb 0.38 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1y5k h LEU 29 CO -0.30 0.46 0.40 -0.08 0.09 0.00 0.00 178.44 179.01 1y5k h GLU 30 N 0.17 0.76 -0.92 1.13 4.81 -0.54 0.17 114.58 120.17 1y5k h GLU 30 Ca 0.07 -0.05 0.03 0.00 -0.13 0.00 0.00 59.36 59.29 1y5k h GLU 30 Cb 0.26 -0.17 -0.05 0.00 0.63 0.00 0.00 28.75 29.42 1y5k h GLU 30 CO -0.00 0.51 0.60 0.00 -0.73 0.00 0.00 179.01 179.38 1y5k h ARG 31 N 0.79 1.13 -0.49 1.92 3.08 -0.44 -2.05 114.38 118.31 1y5k h ARG 31 Ca 0.25 -0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.20 1y5k h ARG 31 Cb 0.00 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.78 1y5k h ARG 31 CO -0.10 0.75 0.16 1.98 -1.07 0.00 0.00 179.97 181.69 1y5k h MET 32 N 1.17 0.77 -0.03 0.04 4.05 0.91 -1.60 114.93 120.24 1y5k h MET 32 Ca 0.37 -0.16 -0.09 0.00 -0.28 0.00 0.00 59.70 59.54 1y5k h MET 32 Cb -0.00 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 30.67 1y5k h MET 32 CO -0.12 0.72 -0.39 0.74 0.23 0.00 0.00 176.91 178.09 1y5k h PHE 33 N 0.67 0.06 0.13 1.39 0.04 -0.47 -1.44 116.94 117.33 1y5k h PHE 33 Ca 0.16 -0.02 -0.30 0.00 2.80 0.00 0.00 57.97 60.62 1y5k h PHE 33 Cb 0.27 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.40 1y5k h PHE 33 CO 0.01 0.44 -1.43 -0.07 -0.60 0.00 0.00 178.31 176.67 1y5k h LEU 34 N 0.05 0.44 0.17 1.54 3.38 -1.07 -3.29 115.31 116.52 1y5k h LEU 34 Ca 0.00 -0.54 -0.33 0.00 0.09 0.00 0.00 57.88 57.10 1y5k h LEU 34 Cb 0.71 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.32 1y5k h LEU 34 CO 0.05 1.44 -1.64 0.28 0.09 0.00 0.00 178.44 178.66 1y5k h SER 35 N 0.08 0.56 -2.60 -0.43 0.02 -1.23 -3.39 113.55 106.56 1y5k h SER 35 Ca -0.21 -0.79 -0.61 0.00 -0.84 0.00 0.00 61.79 59.35 1y5k h SER 35 Cb 2.01 -0.18 -0.41 0.00 0.14 0.00 0.00 62.40 63.95 1y5k h SER 35 CO 0.19 1.65 -0.66 0.49 -1.14 0.00 0.00 176.83 177.36 1y5k n PHE 36 N -3.56 2.76 0.30 3.45 3.72 -0.55 -4.97 117.46 118.62 1y5k n PHE 36 Ca -0.21 -4.11 0.17 0.00 -0.05 0.00 0.00 57.45 53.25 1y5k n PHE 36 Cb 1.07 -0.50 0.90 0.00 -0.94 0.00 0.00 39.48 40.01 1y5k n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1y5k h PRO 37 N 4.85 0.00 0.00 -1.08 0.11 -1.74 -1.22 132.00 132.91 1y5k h PRO 37 Ca 0.17 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.23 1y5k h PRO 37 Cb 0.74 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.84 1y5k h PRO 37 CO 0.71 0.00 -0.25 1.79 -0.21 0.00 0.00 178.00 180.04 1y5k h THR 38 N 0.00 0.77 0.00 -1.15 1.35 -1.92 -2.36 112.91 109.60 1y5k h THR 38 Ca 0.00 -1.02 -0.00 0.00 -0.55 0.00 0.00 66.41 64.84 1y5k h THR 38 Cb 0.32 1.63 -0.00 0.00 -1.73 0.00 0.00 68.15 68.37 1y5k h THR 38 CO 0.00 0.24 -0.01 0.71 -0.25 0.00 0.00 175.52 176.21 1y5k h THR 39 N 0.00 0.09 0.00 6.82 1.35 -1.55 -2.41 112.91 117.20 1y5k h THR 39 Ca -0.00 -0.19 -0.02 0.00 -0.55 0.00 0.00 66.41 65.64 1y5k h THR 39 Cb 0.61 1.17 -0.00 0.00 -1.73 0.00 0.00 68.15 68.20 1y5k h THR 39 CO 0.03 0.01 -0.10 0.11 -0.25 0.00 0.00 175.52 175.33 1y5k h LYS 40 N 0.00 0.00 -0.02 4.72 1.57 -1.61 -2.85 116.57 118.38 1y5k h LYS 40 Ca -0.00 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1y5k h LYS 40 Cb 0.17 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.48 1y5k h LYS 40 CO 0.00 0.10 0.14 1.79 -0.57 0.00 0.00 179.45 180.90 1y5k h THR 41 N 0.00 0.07 -0.01 -0.16 1.35 -1.64 -0.68 112.91 111.85 1y5k h THR 41 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1y5k h THR 41 Cb 0.29 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 1y5k h THR 41 CO 0.01 0.00 -0.13 -1.22 -0.25 0.00 0.00 175.52 173.93 1y5k n TYR 42 N -3.12 0.00 -2.46 4.73 4.01 -1.07 -4.22 117.16 115.02 1y5k n TYR 42 Ca -0.02 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.53 1y5k n TYR 42 Cb 0.21 -0.12 0.02 0.00 -0.31 0.00 0.00 39.34 39.13 1y5k n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1y5k n PHE 43 N -0.68 2.46 0.23 -0.72 3.01 -0.26 -4.90 117.46 116.60 1y5k n PHE 43 Ca 0.15 -2.71 0.07 0.00 1.01 0.00 0.00 57.45 55.97 1y5k n PHE 43 Cb 0.30 -0.23 0.53 0.00 -0.01 0.00 0.00 39.48 40.08 1y5k n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1y5k h PRO 44 N 2.59 0.00 -0.01 -1.08 0.13 -1.73 0.45 132.00 132.34 1y5k h PRO 44 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1y5k h PRO 44 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1y5k h PRO 44 CO 0.66 0.20 0.00 -2.39 -0.23 0.00 0.00 178.00 176.24 1y5k n HIS 45 N -4.12 0.02 -3.93 1.56 1.44 -1.26 -4.80 115.22 104.14 1y5k n HIS 45 Ca -0.02 -0.01 -0.35 0.00 -2.01 0.00 0.00 57.72 55.33 1y5k n HIS 45 Cb 0.27 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.32 1y5k n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1y5k s PHE 46 N -1.98 3.54 -0.19 -1.40 0.40 0.16 -5.07 117.98 113.44 1y5k s PHE 46 Ca 0.37 0.44 -0.26 0.00 -0.60 0.00 0.00 56.93 56.87 1y5k s PHE 46 Cb 0.17 -1.88 -0.01 0.00 0.51 0.00 0.00 43.02 41.81 1y5k s PHE 46 CO 0.29 0.68 0.90 0.34 0.70 0.00 0.00 175.22 178.13 1y5k s ASP 47 N -1.36 6.99 -0.05 1.36 2.15 -1.26 -4.94 116.67 119.55 1y5k s ASP 47 Ca 0.19 1.23 0.16 0.00 0.43 0.00 0.00 52.55 54.56 1y5k s ASP 47 Cb -0.12 -2.48 0.52 0.00 -0.30 0.00 0.00 42.92 40.54 1y5k s ASP 47 CO 0.09 -0.49 1.44 0.18 -0.17 0.00 0.00 175.17 176.22 1y5k n LEU 48 N 5.61 3.75 -4.74 -1.34 4.77 -1.26 -4.60 117.00 119.19 1y5k n LEU 48 Ca 0.07 -2.24 -0.37 0.00 -0.03 0.00 0.00 56.01 53.44 1y5k n LEU 48 Cb 0.48 -0.42 0.05 0.00 -2.33 0.00 0.00 43.42 41.20 1y5k n LEU 48 CO 0.49 0.80 0.90 -0.94 -1.33 0.00 0.00 177.39 177.31 1y5k s SER 49 N -1.10 4.88 0.28 -1.43 1.04 -1.26 -4.88 113.70 111.23 1y5k s SER 49 Ca 0.39 2.57 -0.30 0.00 0.48 0.00 0.00 55.95 59.09 1y5k s SER 49 Cb 0.23 -2.61 -0.13 0.00 0.10 0.00 0.00 66.02 63.61 1y5k s SER 49 CO 0.21 -1.82 1.29 1.57 0.98 0.00 0.00 173.24 175.47 1y5k n HIS 50 N -1.68 2.02 -1.10 5.02 -0.00 -1.26 -1.82 115.22 116.39 1y5k n HIS 50 Ca 0.14 0.53 -0.03 0.00 0.46 0.00 0.00 57.72 58.82 1y5k n HIS 50 Cb 0.48 -2.40 -0.01 0.00 -0.12 0.00 0.00 29.99 27.94 1y5k n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1y5k n GLY 51 N 1.48 0.60 3.77 1.57 0.00 -1.26 -4.97 105.19 106.39 1y5k n GLY 51 Ca 0.09 -0.28 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 1y5k n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1y5k s SER 52 N -2.38 6.30 0.35 1.61 0.15 -0.76 -4.92 113.70 114.06 1y5k s SER 52 Ca 0.00 2.92 0.12 0.00 0.70 0.00 0.00 55.95 59.69 1y5k s SER 52 Cb 0.00 -2.66 0.65 0.00 -1.71 0.00 0.00 66.02 62.30 1y5k s SER 52 CO 0.00 -0.89 1.79 0.00 1.20 0.00 0.00 173.24 175.34 1y5k h ALA 53 N 2.87 1.31 -0.28 5.45 0.00 -1.90 -2.73 119.26 123.99 1y5k h ALA 53 Ca -0.50 -0.37 -0.10 0.00 0.00 0.00 0.00 54.91 53.94 1y5k h ALA 53 Cb 1.24 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1y5k h ALA 53 CO 0.63 0.51 -0.24 1.96 0.00 0.00 0.00 179.25 182.12 1y5k h GLN 54 N 0.03 0.53 -0.38 0.00 4.20 -1.91 -2.11 115.11 115.46 1y5k h GLN 54 Ca -0.00 -0.20 -0.04 0.00 0.06 0.00 0.00 58.65 58.48 1y5k h GLN 54 Cb 0.72 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.45 1y5k h GLN 54 CO 0.05 0.73 0.10 0.28 -0.67 0.00 0.00 178.83 179.32 1y5k h VAL 55 N 0.47 1.23 0.65 -0.54 2.07 -1.74 -1.30 116.25 117.09 1y5k h VAL 55 Ca 0.07 -0.76 -0.03 0.00 0.82 0.00 0.00 66.70 66.79 1y5k h VAL 55 Cb 0.66 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 1y5k h VAL 55 CO 0.05 0.26 -0.33 0.11 0.02 0.00 0.00 177.57 177.68 1y5k h LYS 56 N 0.48 -0.87 -0.65 1.57 1.79 -1.34 -0.62 116.57 116.92 1y5k h LYS 56 Ca 0.12 0.06 0.14 0.00 -2.18 0.00 0.00 60.65 58.79 1y5k h LYS 56 Cb 0.30 0.20 -0.04 0.00 -1.58 0.00 0.00 32.23 31.11 1y5k h LYS 56 CO 0.00 -0.58 0.44 0.78 -1.08 0.00 0.00 179.45 179.01 1y5k h GLY 57 N -0.91 0.45 1.61 3.86 0.00 -1.37 -1.15 103.07 105.56 1y5k h GLY 57 Ca -0.09 -0.12 -0.25 0.00 0.00 0.00 0.00 47.33 46.88 1y5k h GLY 57 CO 0.13 0.05 -1.09 0.84 0.00 0.00 0.00 176.54 176.47 1y5k h HIS 58 N 0.28 0.52 -0.65 5.60 -0.00 -0.84 -3.04 115.15 117.02 1y5k h HIS 58 Ca 0.31 -0.33 -0.03 0.00 -0.00 0.00 0.00 60.37 60.32 1y5k h HIS 58 Cb 0.84 -0.04 -0.03 0.00 -0.00 0.00 0.00 27.41 28.18 1y5k h HIS 58 CO -0.00 1.20 0.28 0.78 -0.00 0.00 0.00 177.93 180.20 1y5k h GLY 59 N 1.47 1.02 0.84 5.26 0.00 0.02 0.29 103.07 111.97 1y5k h GLY 59 Ca -0.11 -0.53 0.02 0.00 0.00 0.00 0.00 47.33 46.72 1y5k h GLY 59 CO 0.18 0.50 0.14 1.70 0.00 0.00 0.00 176.54 179.07 1y5k h LYS 60 N 0.90 0.29 -0.75 4.80 3.64 -1.34 0.20 116.57 124.31 1y5k h LYS 60 Ca 0.22 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.54 1y5k h LYS 60 Cb 0.17 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 1y5k h LYS 60 CO -0.02 0.19 0.31 0.87 -2.27 0.00 0.00 179.45 178.52 1y5k h LYS 61 N 0.30 1.12 -0.16 1.90 1.57 -1.32 0.45 116.57 120.44 1y5k h LYS 61 Ca 0.13 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1y5k h LYS 61 Cb 0.05 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 1y5k h LYS 61 CO -0.10 0.91 0.06 0.28 -0.57 0.00 0.00 179.45 180.04 1y5k h VAL 62 N 1.08 1.15 -0.26 0.50 2.07 -0.06 -1.31 116.25 119.42 1y5k h VAL 62 Ca 0.25 -0.45 -0.10 0.00 0.82 0.00 0.00 66.70 67.22 1y5k h VAL 62 Cb 0.21 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1y5k h VAL 62 CO -0.02 0.14 -0.26 0.00 0.02 0.00 0.00 177.57 177.45 1y5k h ALA 63 N 0.91 1.06 -0.83 1.67 0.00 -0.19 -0.78 119.26 121.09 1y5k h ALA 63 Ca 0.05 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.63 1y5k h ALA 63 Cb 0.16 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1y5k h ALA 63 CO -0.00 0.57 0.54 -0.44 0.00 0.00 0.00 179.25 179.92 1y5k h ASP 64 N 0.45 0.91 0.05 0.00 5.19 0.36 0.68 116.42 124.07 1y5k h ASP 64 Ca 0.06 -0.01 -0.10 0.00 -0.62 0.00 0.00 57.03 56.36 1y5k h ASP 64 Cb 0.69 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.98 1y5k h ASP 64 CO 0.05 0.64 -0.31 0.00 -3.12 0.00 0.00 179.24 176.51 1y5k h ALA 65 N 1.33 1.12 -0.34 3.45 0.00 -0.30 -0.19 119.26 124.33 1y5k h ALA 65 Ca 0.32 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1y5k h ALA 65 Cb -0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1y5k h ALA 65 CO -0.10 0.56 -0.25 -0.07 0.00 0.00 0.00 179.25 179.39 1y5k h LEU 66 N 0.33 0.80 -1.02 0.00 3.38 -0.34 -2.43 115.31 116.03 1y5k h LEU 66 Ca 0.04 -0.44 -0.02 0.00 0.09 0.00 0.00 57.88 57.56 1y5k h LEU 66 Cb 0.71 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1y5k h LEU 66 CO 0.05 1.07 0.43 0.74 0.09 0.00 0.00 178.44 180.82 1y5k h THR 67 N 0.53 1.24 -0.28 0.22 2.02 -0.44 -1.47 112.91 114.73 1y5k h THR 67 Ca 0.06 -0.60 -0.05 0.00 0.77 0.00 0.00 66.41 66.59 1y5k h THR 67 Cb 0.81 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 1y5k h THR 67 CO 0.07 0.27 -0.03 -1.13 0.37 0.00 0.00 175.52 175.07 1y5k h ASN 68 N 1.13 0.41 1.06 4.18 -1.24 -0.79 -2.11 115.58 118.21 1y5k h ASN 68 Ca 0.28 -0.07 -0.14 0.00 0.71 0.00 0.00 56.30 57.08 1y5k h ASN 68 Cb 0.04 -0.11 -0.02 0.00 0.73 0.00 0.00 38.32 38.96 1y5k h ASN 68 CO -0.04 0.49 -0.66 0.00 -1.29 0.00 0.00 177.43 175.92 1y5k h ALA 69 N 1.56 0.67 -0.45 1.57 0.00 -0.84 -1.88 119.26 119.90 1y5k h ALA 69 Ca 0.09 -0.61 -0.14 0.00 0.00 0.00 0.00 54.91 54.26 1y5k h ALA 69 Cb 0.32 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1y5k h ALA 69 CO 0.01 0.83 -0.27 0.28 0.00 0.00 0.00 179.25 180.10 1y5k h VAL 70 N 0.00 1.27 0.00 0.00 2.07 -1.00 -0.93 116.25 117.66 1y5k h VAL 70 Ca -0.01 -1.44 -0.02 0.00 0.82 0.00 0.00 66.70 66.05 1y5k h VAL 70 Cb 1.37 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 32.36 1y5k h VAL 70 CO 0.09 0.49 -0.12 0.00 0.02 0.00 0.00 177.57 178.05 1y5k h ALA 71 N 0.83 1.17 -0.80 1.67 0.00 -0.99 -2.77 119.26 118.37 1y5k h ALA 71 Ca 0.09 -0.11 -0.54 0.00 0.00 0.00 0.00 54.91 54.36 1y5k h ALA 71 Cb 0.86 -0.02 -0.43 0.00 0.00 0.00 0.00 17.79 18.20 1y5k h ALA 71 CO 0.08 0.15 -0.83 0.72 0.00 0.00 0.00 179.25 179.36 1y5k n HIS 72 N -3.48 2.72 0.07 0.00 8.25 -0.74 -4.84 115.22 117.20 1y5k n HIS 72 Ca -0.01 -2.29 0.21 0.00 -0.26 0.00 0.00 57.72 55.37 1y5k n HIS 72 Cb 0.27 -0.31 0.74 0.00 1.12 0.00 0.00 29.99 31.81 1y5k n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1y5k h VAL 73 N 2.38 0.39 -0.23 1.59 3.04 -0.88 0.20 116.25 122.74 1y5k h VAL 73 Ca 0.34 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.03 1y5k h VAL 73 Cb 1.48 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 31.40 1y5k h VAL 73 CO 0.74 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.77 1y5k n ASP 74 N -3.76 2.14 -2.75 3.17 8.00 -1.26 -4.27 116.55 117.82 1y5k n ASP 74 Ca 0.08 -1.80 -0.02 0.00 0.71 0.00 0.00 54.79 53.75 1y5k n ASP 74 Cb 0.64 -0.15 0.08 0.00 -0.02 0.00 0.00 41.12 41.67 1y5k n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1y5k n ASP 75 N 0.64 0.16 -0.22 -2.24 2.03 0.67 -4.97 116.55 112.61 1y5k n ASP 75 Ca 0.17 -2.22 -0.07 0.00 0.52 0.00 0.00 54.79 53.19 1y5k n ASP 75 Cb 0.40 0.07 0.04 0.00 -0.72 0.00 0.00 41.12 40.90 1y5k n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1y5k h MET 76 N 2.04 0.88 -0.27 -0.67 2.86 -1.68 -0.36 114.93 117.72 1y5k h MET 76 Ca -0.26 -0.11 0.05 0.00 -2.06 0.00 0.00 59.70 57.32 1y5k h MET 76 Cb 1.27 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.75 1y5k h MET 76 CO 0.07 0.67 0.19 -1.35 1.06 0.00 0.00 176.91 177.55 1y5k h PRO 77 N 0.85 0.16 0.19 -0.22 0.11 -1.93 0.12 132.00 131.28 1y5k h PRO 77 Ca 0.22 -0.01 -0.34 0.00 0.11 0.00 0.00 66.00 65.98 1y5k h PRO 77 Cb 0.06 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 31.15 1y5k h PRO 77 CO -0.03 0.11 -1.67 -0.91 -0.21 0.00 0.00 178.00 175.28 1y5k h ASN 78 N 0.17 0.62 -0.50 -2.05 2.35 -1.75 -3.03 115.58 111.39 1y5k h ASN 78 Ca 0.12 -0.93 0.02 0.00 -0.55 0.00 0.00 56.30 54.96 1y5k h ASN 78 Cb 0.27 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 1y5k h ASN 78 CO -0.02 1.76 0.33 0.00 -1.65 0.00 0.00 177.43 177.85 1y5k h ALA 79 N 0.09 1.71 -0.48 -0.83 0.00 -0.71 -2.86 119.26 116.19 1y5k h ALA 79 Ca -0.33 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.55 1y5k h ALA 79 Cb 2.06 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.68 1y5k h ALA 79 CO 0.17 0.24 0.00 1.28 0.00 0.00 0.00 179.25 180.95 1y5k n LEU 80 N -4.47 3.62 -0.34 0.00 4.77 -0.00 -4.65 117.00 115.92 1y5k n LEU 80 Ca 0.05 -1.63 0.14 0.00 -0.03 0.00 0.00 56.01 54.54 1y5k n LEU 80 Cb 0.10 -0.31 0.33 0.00 -2.33 0.00 0.00 43.42 41.21 1y5k n LEU 80 CO 0.35 0.81 1.17 -1.28 -1.33 0.00 0.00 177.39 177.11 1y5k h SER 81 N 4.47 0.70 -0.36 -1.43 0.87 -1.37 -0.94 113.55 115.50 1y5k h SER 81 Ca 0.00 0.11 -0.14 0.00 -1.23 0.00 0.00 61.79 60.53 1y5k h SER 81 Cb 1.00 -0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.95 1y5k h SER 81 CO 0.00 0.20 -0.34 0.00 -0.53 0.00 0.00 176.83 176.16 1y5k h ALA 82 N 1.67 0.52 -0.19 6.23 0.00 -1.83 -1.96 119.26 123.71 1y5k h ALA 82 Ca 0.59 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1y5k h ALA 82 Cb 1.00 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1y5k h ALA 82 CO -0.42 0.59 -0.26 -0.07 0.00 0.00 0.00 179.25 179.09 1y5k h LEU 83 N 0.66 0.35 -0.65 0.00 3.38 -1.56 -1.76 115.31 115.72 1y5k h LEU 83 Ca 0.06 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 1y5k h LEU 83 Cb 0.93 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1y5k h LEU 83 CO 0.09 0.62 -0.26 -1.28 0.09 0.00 0.00 178.44 177.69 1y5k h SER 84 N 0.32 0.79 -0.27 -0.43 0.87 -1.10 -0.47 113.55 113.26 1y5k h SER 84 Ca 0.05 -0.30 -0.18 0.00 -1.23 0.00 0.00 61.79 60.12 1y5k h SER 84 Cb 0.63 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 1y5k h SER 84 CO 0.05 1.01 -0.54 0.44 -0.53 0.00 0.00 176.83 177.25 1y5k h ASP 85 N 0.66 0.96 -0.41 6.23 3.32 -0.93 -2.37 116.42 123.88 1y5k h ASP 85 Ca 0.08 -0.51 -0.00 0.00 0.02 0.00 0.00 57.03 56.62 1y5k h ASP 85 Cb 0.78 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.04 1y5k h ASP 85 CO 0.06 1.31 0.24 0.25 -1.72 0.00 0.00 179.24 179.38 1y5k h LEU 86 N 0.66 0.51 -0.48 1.55 6.46 -1.08 -1.45 115.31 121.48 1y5k h LEU 86 Ca 0.02 -0.07 -0.17 0.00 -0.12 0.00 0.00 57.88 57.54 1y5k h LEU 86 Cb 1.15 -0.13 -0.01 0.00 -0.73 0.00 0.00 40.66 40.94 1y5k h LEU 86 CO 0.12 0.43 -0.71 0.45 -0.62 0.00 0.00 178.44 178.11 1y5k h HIS 87 N 0.54 0.41 -0.06 1.25 3.86 -1.07 -1.22 115.15 118.87 1y5k h HIS 87 Ca 0.15 -0.18 -0.20 0.00 -1.16 0.00 0.00 60.37 58.97 1y5k h HIS 87 Cb 0.02 -0.06 0.01 0.00 1.06 0.00 0.00 27.41 28.44 1y5k h HIS 87 CO -0.03 0.91 -0.76 0.00 0.86 0.00 0.00 177.93 178.91 1y5k h ALA 88 N 1.04 0.17 0.00 2.45 0.00 -1.32 0.10 119.26 121.70 1y5k h ALA 88 Ca -0.02 -0.60 -0.08 0.00 0.00 0.00 0.00 54.91 54.21 1y5k h ALA 88 Cb 1.26 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 1y5k h ALA 88 CO 0.11 0.54 -1.89 0.72 0.00 0.00 0.00 179.25 178.73 1y5k n HIS 89 N -4.04 0.20 -0.02 0.00 8.25 -0.56 -4.56 115.22 114.49 1y5k n HIS 89 Ca -0.09 0.06 -0.04 0.00 -0.26 0.00 0.00 57.72 57.38 1y5k n HIS 89 Cb 0.74 -0.69 -0.02 0.00 1.12 0.00 0.00 29.99 31.14 1y5k n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1y5k n LYS 90 N -2.45 0.10 0.05 -0.41 4.81 -0.51 -4.82 118.16 114.92 1y5k n LYS 90 Ca -0.09 0.04 -0.15 0.00 -0.87 0.00 0.00 58.31 57.24 1y5k n LYS 90 Cb 0.69 -0.74 -0.14 0.00 0.02 0.00 0.00 35.03 34.86 1y5k n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1y5k h LEU 91 N -0.13 0.29 -1.50 3.14 3.38 -1.52 -3.48 115.31 115.49 1y5k h LEU 91 Ca -0.11 -0.43 -0.53 0.00 0.09 0.00 0.00 57.88 56.90 1y5k h LEU 91 Cb 1.11 -0.10 -0.14 0.00 0.09 0.00 0.00 40.66 41.62 1y5k h LEU 91 CO -0.06 1.36 -0.86 0.54 0.09 0.00 0.00 178.44 179.51 1y5k n ARG 92 N -3.38 -3.10 -2.26 1.13 1.74 0.35 -4.88 116.66 106.26 1y5k n ARG 92 Ca -0.16 0.37 -0.42 0.00 -0.77 0.00 0.00 57.85 56.87 1y5k n ARG 92 Cb 1.03 -4.77 -0.03 0.00 -1.02 0.00 0.00 32.46 27.68 1y5k n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1y5k s VAL 93 N -3.64 3.45 0.34 1.55 1.01 -1.26 -4.96 120.40 116.89 1y5k s VAL 93 Ca 0.39 1.11 -0.29 0.00 0.00 0.00 0.00 61.98 63.19 1y5k s VAL 93 Cb -0.21 -3.71 -0.11 0.00 0.00 0.00 0.00 36.38 32.35 1y5k s VAL 93 CO 0.92 0.12 1.46 -0.62 0.00 0.00 0.00 175.10 176.98 1y5k s ASP 94 N 0.72 6.47 0.47 3.32 -1.08 -1.26 -4.90 116.67 120.41 1y5k s ASP 94 Ca 0.59 2.91 0.23 0.00 -0.52 0.00 0.00 52.55 55.76 1y5k s ASP 94 Cb -0.35 -2.65 1.25 0.00 -1.46 0.00 0.00 42.92 39.71 1y5k s ASP 94 CO 0.33 -0.79 1.88 -0.65 0.52 0.00 0.00 175.17 176.46 1y5k h PRO 95 N 3.68 0.22 0.00 4.34 0.11 -2.00 -2.34 132.00 136.01 1y5k h PRO 95 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1y5k h PRO 95 Cb 1.23 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1y5k h PRO 95 CO 0.69 0.15 0.00 -0.39 -0.21 0.00 0.00 178.00 178.24 1y5k h VAL 96 N 0.23 0.00 0.00 3.15 -1.51 -2.03 -1.93 116.25 114.15 1y5k h VAL 96 Ca 0.43 -0.13 -0.05 0.00 -1.23 0.00 0.00 66.70 65.72 1y5k h VAL 96 Cb 1.33 0.89 -0.01 0.00 -2.13 0.00 0.00 31.29 31.37 1y5k h VAL 96 CO -0.10 0.00 -0.24 0.78 -1.23 0.00 0.00 177.57 176.78 1y5k h ASN 97 N 0.00 0.00 -0.26 4.19 4.21 -1.78 -3.18 115.58 118.76 1y5k h ASN 97 Ca 0.00 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.43 1y5k h ASN 97 Cb 0.16 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.34 1y5k h ASN 97 CO 0.00 0.24 -0.10 -0.26 -1.29 0.00 0.00 177.43 176.01 1y5k h PHE 98 N 0.00 0.71 -0.52 1.19 -1.00 -1.54 -0.85 116.94 114.93 1y5k h PHE 98 Ca -0.00 -0.12 -0.02 0.00 2.81 0.00 0.00 57.97 60.64 1y5k h PHE 98 Cb 0.97 -0.19 -0.03 0.00 3.61 0.00 0.00 35.95 40.32 1y5k h PHE 98 CO 0.00 0.73 0.23 0.87 -1.61 0.00 0.00 178.31 178.53 1y5k h LYS 99 N 0.60 0.74 -0.20 1.51 1.57 -1.72 -2.04 116.57 117.03 1y5k h LYS 99 Ca 0.11 -0.10 -0.14 0.00 -1.87 0.00 0.00 60.65 58.65 1y5k h LYS 99 Cb 0.53 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.70 1y5k h LYS 99 CO 0.03 0.59 -0.40 -0.07 -0.57 0.00 0.00 179.45 179.03 1y5k h LEU 100 N 0.74 0.71 -0.79 2.94 3.38 -1.25 -1.72 115.31 119.31 1y5k h LEU 100 Ca 0.18 -0.55 -0.05 0.00 0.09 0.00 0.00 57.88 57.55 1y5k h LEU 100 Cb 0.11 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1y5k h LEU 100 CO -0.02 1.12 0.30 0.25 0.09 0.00 0.00 178.44 180.18 1y5k h LEU 101 N 0.32 1.11 0.18 1.67 5.85 -1.40 -1.98 115.31 121.06 1y5k h LEU 101 Ca 0.01 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.54 1y5k h LEU 101 Cb 1.01 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 1y5k h LEU 101 CO 0.09 0.99 -0.13 0.28 -0.34 0.00 0.00 178.44 179.33 1y5k h SER 102 N 1.16 -0.32 -0.58 1.25 0.02 -1.20 0.97 113.55 114.84 1y5k h SER 102 Ca 0.26 0.02 0.11 0.00 -0.84 0.00 0.00 61.79 61.35 1y5k h SER 102 Cb 0.25 0.10 -0.09 0.00 0.14 0.00 0.00 62.40 62.80 1y5k h SER 102 CO -0.02 -0.20 0.06 -0.74 -1.14 0.00 0.00 176.83 174.79 1y5k h HIS 103 N -0.31 0.07 -0.72 3.45 -0.00 -1.17 -0.86 115.15 115.62 1y5k h HIS 103 Ca -0.01 0.04 -0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1y5k h HIS 103 Cb 0.27 0.06 -0.03 0.00 -0.00 0.00 0.00 27.41 27.70 1y5k h HIS 103 CO -0.10 -0.10 0.44 0.00 -0.00 0.00 0.00 177.93 178.17 1y5k h LEU 105 N 0.98 0.71 -0.42 0.00 3.38 -0.28 0.07 115.31 119.75 1y5k h LEU 105 Ca 0.26 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 58.04 1y5k h LEU 105 Cb -0.04 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 1y5k h LEU 105 CO -0.05 0.49 -0.63 -0.07 0.09 0.00 0.00 178.44 178.27 1y5k h LEU 106 N 0.82 0.65 -0.83 1.67 3.38 -0.27 -0.04 115.31 120.69 1y5k h LEU 106 Ca 0.27 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1y5k h LEU 106 Cb 0.05 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.57 1y5k h LEU 106 CO -0.07 1.12 0.42 0.58 0.09 0.00 0.00 178.44 180.58 1y5k h VAL 107 N 0.42 1.25 -0.02 1.22 2.07 -0.59 -0.69 116.25 119.91 1y5k h VAL 107 Ca -0.01 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 1y5k h VAL 107 Cb 1.20 0.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1y5k h VAL 107 CO 0.12 0.29 -0.00 0.74 0.02 0.00 0.00 177.57 178.74 1y5k h THR 108 N 1.17 1.25 -0.44 2.57 2.02 -0.51 -0.76 112.91 118.21 1y5k h THR 108 Ca 0.29 -0.75 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 1y5k h THR 108 Cb 0.08 1.73 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 1y5k h THR 108 CO -0.04 0.20 0.20 -0.07 0.37 0.00 0.00 175.52 176.18 1y5k h LEU 109 N -0.28 0.55 -0.81 2.58 3.38 -0.91 -2.32 115.31 117.50 1y5k h LEU 109 Ca 0.00 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.83 1y5k h LEU 109 Cb 0.32 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1y5k h LEU 109 CO 0.00 0.48 -0.17 0.00 0.09 0.00 0.00 178.44 178.85 1y5k h ALA 110 N 1.61 0.99 0.00 1.53 0.00 -0.68 0.24 119.26 122.95 1y5k h ALA 110 Ca 0.16 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1y5k h ALA 110 Cb 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1y5k h ALA 110 CO -0.02 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.83 1y5k h ALA 111 N 1.18 1.00 0.00 0.00 0.00 -0.61 -3.28 119.26 117.55 1y5k h ALA 111 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1y5k h ALA 111 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1y5k h ALA 111 CO 0.04 0.00 -1.36 0.72 0.00 0.00 0.00 179.25 178.66 1y5k n HIS 112 N -2.88 0.00 -3.10 0.00 -0.00 -0.84 -4.78 115.22 103.63 1y5k n HIS 112 Ca 0.02 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.46 1y5k n HIS 112 Cb 0.37 -0.20 -0.05 0.00 -0.00 0.00 0.00 29.99 30.11 1y5k n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1y5k n LEU 113 N -1.78 4.48 -0.11 2.41 4.32 0.79 -4.93 117.00 122.18 1y5k n LEU 113 Ca -0.01 -5.57 -0.07 0.00 -0.02 0.00 0.00 56.01 50.33 1y5k n LEU 113 Cb 0.24 -0.66 -0.01 0.00 -1.62 0.00 0.00 43.42 41.37 1y5k n LEU 113 CO 0.20 2.21 0.67 1.55 -1.22 0.00 0.00 177.39 180.79 1y5k h PRO 114 N 3.56 -0.22 -0.07 3.23 0.13 -1.83 -1.30 132.00 135.50 1y5k h PRO 114 Ca 0.18 0.02 -0.19 0.00 -0.87 0.00 0.00 66.00 65.13 1y5k h PRO 114 Cb 0.55 0.05 -0.00 0.00 0.13 0.00 0.00 31.00 31.73 1y5k h PRO 114 CO 0.87 -0.15 -0.76 0.00 -0.23 0.00 0.00 178.00 177.73 1y5k h ALA 115 N 0.85 0.54 0.00 -0.56 0.00 -1.94 -3.32 119.26 114.84 1y5k h ALA 115 Ca 0.17 -0.62 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 1y5k h ALA 115 Cb 0.51 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 1y5k h ALA 115 CO -0.50 0.76 -0.94 1.05 0.00 0.00 0.00 179.25 179.62 1y5k h GLU 116 N 0.29 0.00 -3.35 0.00 9.09 -1.91 -3.40 114.58 115.31 1y5k h GLU 116 Ca -0.04 0.00 -0.56 0.00 0.05 0.00 0.00 59.36 58.81 1y5k h GLU 116 Cb 1.35 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 28.47 1y5k h GLU 116 CO 0.13 0.08 3.22 0.34 0.05 0.00 0.00 179.01 182.84 1y5k n PHE 117 N -2.80 2.07 -1.94 2.06 7.35 -0.52 -4.74 117.46 118.94 1y5k n PHE 117 Ca -0.01 -2.57 -0.29 0.00 -0.76 0.00 0.00 57.45 53.82 1y5k n PHE 117 Cb 0.61 -2.13 0.10 0.00 0.35 0.00 0.00 39.48 38.41 1y5k n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1y5k s THR 118 N 2.91 2.03 0.26 -2.13 -4.23 -1.26 -4.80 115.64 108.42 1y5k s THR 118 Ca 0.55 -0.03 -0.02 0.00 -1.18 0.00 0.00 61.69 61.01 1y5k s THR 118 Cb 0.14 -3.00 0.24 0.00 1.34 0.00 0.00 72.50 71.23 1y5k s THR 118 CO -0.04 0.00 1.81 -0.65 -0.54 0.00 0.00 174.62 175.20 1y5k h PRO 119 N -1.08 0.79 -0.31 3.99 0.11 -1.99 0.89 132.00 134.40 1y5k h PRO 119 Ca -0.46 -0.05 -0.14 0.00 0.11 0.00 0.00 66.00 65.47 1y5k h PRO 119 Cb 1.32 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 1y5k h PRO 119 CO 0.62 0.52 -0.36 0.00 -0.21 0.00 0.00 178.00 178.57 1y5k h ALA 120 N 1.50 0.46 0.32 -0.75 0.00 -1.95 -2.33 119.26 116.50 1y5k h ALA 120 Ca 0.44 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1y5k h ALA 120 Cb 0.46 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1y5k h ALA 120 CO -0.28 0.54 -0.15 0.28 0.00 0.00 0.00 179.25 179.64 1y5k h VAL 121 N 0.55 0.71 -0.80 0.00 2.07 -1.77 -2.11 116.25 114.90 1y5k h VAL 121 Ca 0.04 -0.30 0.19 0.00 0.82 0.00 0.00 66.70 67.45 1y5k h VAL 121 Cb 0.95 0.88 -0.14 0.00 -1.52 0.00 0.00 31.29 31.45 1y5k h VAL 121 CO 0.09 0.06 0.00 -0.74 0.02 0.00 0.00 177.57 177.00 1y5k h HIS 122 N -0.58 -0.06 -0.73 1.57 6.17 -0.82 0.43 115.15 121.13 1y5k h HIS 122 Ca -0.04 0.06 -0.04 0.00 0.71 0.00 0.00 60.37 61.06 1y5k h HIS 122 Cb 0.43 0.15 -0.03 0.00 2.52 0.00 0.00 27.41 30.47 1y5k h HIS 122 CO -0.01 -0.27 0.32 0.00 0.71 0.00 0.00 177.93 178.67 1y5k h ALA 123 N 1.75 0.95 -0.14 5.26 0.00 -1.22 -0.37 119.26 125.48 1y5k h ALA 123 Ca 0.44 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 1y5k h ALA 123 Cb 0.79 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1y5k h ALA 123 CO -0.71 0.55 -0.08 0.77 0.00 0.00 0.00 179.25 179.77 1y5k h SER 124 N 1.04 0.32 -0.78 0.00 0.02 -0.30 -1.96 113.55 111.88 1y5k h SER 124 Ca 0.25 -0.43 0.12 0.00 -0.84 0.00 0.00 61.79 60.89 1y5k h SER 124 Cb 0.17 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 62.57 1y5k h SER 124 CO -0.02 0.68 0.52 -0.07 -1.14 0.00 0.00 176.83 176.79 1y5k h LEU 125 N -0.04 0.55 -0.10 5.07 3.38 -0.02 0.81 115.31 124.96 1y5k h LEU 125 Ca 0.03 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 1y5k h LEU 125 Cb 0.57 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1y5k h LEU 125 CO 0.02 0.30 -0.39 -0.78 0.09 0.00 0.00 178.44 177.69 1y5k h ASP 126 N 0.59 0.51 -0.73 -0.43 3.58 -0.90 -0.57 116.42 118.48 1y5k h ASP 126 Ca 0.38 -0.63 -0.01 0.00 0.42 0.00 0.00 57.03 57.19 1y5k h ASP 126 Cb 0.64 -0.15 -0.03 0.00 1.72 0.00 0.00 39.33 41.51 1y5k h ASP 126 CO -0.14 1.06 0.43 0.11 -2.88 0.00 0.00 179.24 177.81 1y5k h LYS 127 N 0.00 0.99 -0.11 0.28 1.57 -1.08 -2.26 116.57 115.96 1y5k h LYS 127 Ca -0.02 -0.10 0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1y5k h LYS 127 Cb 1.03 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 33.10 1y5k h LYS 127 CO 0.08 0.71 -0.11 0.35 -0.57 0.00 0.00 179.45 179.92 1y5k h PHE 128 N 0.99 -0.26 0.00 -1.35 3.57 -0.58 -0.02 116.94 119.30 1y5k h PHE 128 Ca 0.26 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.71 1y5k h PHE 128 Cb -0.02 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 1y5k h PHE 128 CO -0.01 -0.16 -0.32 -0.07 -2.23 0.00 0.00 178.31 175.52 1y5k h LEU 129 N -0.13 0.00 -0.49 0.59 3.38 -0.89 -0.30 115.31 117.47 1y5k h LEU 129 Ca 0.08 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 1y5k h LEU 129 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1y5k h LEU 129 CO -0.19 0.32 -0.46 0.00 0.09 0.00 0.00 178.44 178.21 1y5k h ALA 130 N 1.68 0.67 -0.41 1.53 0.00 -0.79 -0.82 119.26 121.12 1y5k h ALA 130 Ca -0.00 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 1y5k h ALA 130 Cb 0.69 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1y5k h ALA 130 CO 0.04 0.67 0.07 0.77 0.00 0.00 0.00 179.25 180.81 1y5k h SER 131 N 0.59 0.65 -0.49 0.00 0.02 0.49 -1.33 113.55 113.49 1y5k h SER 131 Ca 0.04 -0.26 0.01 0.00 -0.84 0.00 0.00 61.79 60.73 1y5k h SER 131 Cb 1.01 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 63.36 1y5k h SER 131 CO 0.10 0.74 0.32 0.58 -1.14 0.00 0.00 176.83 177.43 1y5k h VAL 132 N 0.54 1.12 -0.85 2.27 2.07 -1.04 -1.86 116.25 118.49 1y5k h VAL 132 Ca 0.13 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1y5k h VAL 132 Cb 0.36 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 1y5k h VAL 132 CO 0.01 0.12 0.46 0.28 0.02 0.00 0.00 177.57 178.46 1y5k h SER 133 N 0.66 1.07 -0.54 0.57 0.02 -1.03 -1.43 113.55 112.87 1y5k h SER 133 Ca 0.18 -0.09 -0.07 0.00 -0.84 0.00 0.00 61.79 60.97 1y5k h SER 133 Cb -0.07 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.17 1y5k h SER 133 CO -0.04 0.86 0.08 0.74 -1.14 0.00 0.00 176.83 177.33 1y5k h THR 134 N 1.20 1.25 -0.16 -2.27 2.02 -0.86 -2.36 112.91 111.73 1y5k h THR 134 Ca 0.30 -0.97 -0.06 0.00 0.77 0.00 0.00 66.41 66.45 1y5k h THR 134 Cb 0.03 0.71 -0.00 0.00 -1.74 0.00 0.00 68.15 67.15 1y5k h THR 134 CO -0.05 0.36 -0.14 0.58 0.37 0.00 0.00 175.52 176.64 1y5k h VAL 135 N 0.88 1.34 0.00 3.16 2.07 -0.81 -2.01 116.25 120.88 1y5k h VAL 135 Ca 0.18 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.42 1y5k h VAL 135 Cb 0.40 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1y5k h VAL 135 CO 0.01 0.38 0.00 0.18 0.02 0.00 0.00 177.57 178.16 1y5k n LEU 136 N -4.55 0.00 -0.22 2.57 4.77 -0.59 -1.83 117.00 117.15 1y5k n LEU 136 Ca -0.06 0.50 0.04 0.00 -0.03 0.00 0.00 56.01 56.46 1y5k n LEU 136 Cb 0.36 -0.50 0.01 0.00 -2.33 0.00 0.00 43.42 40.96 1y5k n LEU 136 CO 0.39 -0.41 0.25 0.41 -1.33 0.00 0.00 177.39 176.71 1y5k n THR 137 N -1.50 0.00 0.35 -5.08 -1.04 -0.90 -4.57 114.28 101.55 1y5k n THR 137 Ca 0.01 -0.44 0.14 0.00 -2.04 0.00 0.00 64.05 61.72 1y5k n THR 137 Cb 0.06 1.12 0.57 0.00 -1.82 0.00 0.00 70.33 70.26 1y5k n THR 137 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1y5k h SER 138 N 1.10 0.00 -0.29 8.00 4.64 -0.62 -2.27 113.55 124.11 1y5k h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1y5k h SER 138 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1y5k h SER 138 CO 0.00 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.25 1y5k n LYS 139 N -2.60 2.87 0.18 4.77 5.02 -1.26 -4.66 118.16 122.47 1y5k n LYS 139 Ca 0.02 -2.23 0.14 0.00 -2.02 0.00 0.00 58.31 54.22 1y5k n LYS 139 Cb 0.27 -1.41 0.73 0.00 -0.02 0.00 0.00 35.03 34.60 1y5k n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1y5k h TYR 140 N 1.79 0.00 0.00 2.13 -1.99 -1.74 -3.47 116.97 113.69 1y5k h TYR 140 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1y5k h TYR 140 Cb 0.91 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.64 1y5k h TYR 140 CO 0.28 0.00 0.00 2.89 -0.00 0.00 0.00 178.16 181.33