#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ye0 s LEU 2 N 0.00 4.33 0.70 7.52 1.43 -1.26 -5.06 118.68 126.34 1ye0 s LEU 2 Ca 0.00 1.93 -0.08 0.00 -1.03 0.00 0.00 54.13 54.95 1ye0 s LEU 2 Cb 0.00 -3.57 0.05 0.00 0.03 0.00 0.00 46.19 42.70 1ye0 s LEU 2 CO 0.00 -0.53 1.03 -0.94 0.23 0.00 0.00 176.35 176.13 1ye0 s SER 3 N 1.31 4.95 0.45 2.29 1.04 -1.26 -4.92 113.70 117.57 1ye0 s SER 3 Ca 0.58 0.61 0.21 0.00 0.48 0.00 0.00 55.95 57.83 1ye0 s SER 3 Cb -0.27 -1.31 1.09 0.00 0.10 0.00 0.00 66.02 65.63 1ye0 s SER 3 CO 0.26 -1.53 1.95 -0.65 0.98 0.00 0.00 173.24 174.24 1ye0 h PRO 4 N -0.60 0.00 -0.03 4.02 0.11 -1.99 -1.54 132.00 131.97 1ye0 h PRO 4 Ca -0.45 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.51 1ye0 h PRO 4 Cb 1.30 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.42 1ye0 h PRO 4 CO 0.62 0.22 -0.56 0.00 -0.21 0.00 0.00 178.00 178.07 1ye0 h ALA 5 N 1.78 0.11 -0.27 -0.75 0.00 -1.99 -2.59 119.26 115.55 1ye0 h ALA 5 Ca -0.00 -0.55 0.04 0.00 0.00 0.00 0.00 54.91 54.40 1ye0 h ALA 5 Cb 0.51 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 1ye0 h ALA 5 CO 0.03 0.35 -0.47 -0.44 0.00 0.00 0.00 179.25 178.72 1ye0 h ASP 6 N -0.05 -1.55 -0.72 0.00 3.32 -1.92 -1.76 116.42 113.75 1ye0 h ASP 6 Ca -0.06 0.20 0.21 0.00 0.02 0.00 0.00 57.03 57.39 1ye0 h ASP 6 Cb 1.25 0.62 -0.03 0.00 0.22 0.00 0.00 39.33 41.40 1ye0 h ASP 6 CO 0.11 -0.37 0.52 0.11 -1.72 0.00 0.00 179.24 177.89 1ye0 h LYS 7 N -0.39 0.02 0.18 3.56 1.57 -1.25 -1.50 116.57 118.75 1ye0 h LYS 7 Ca 0.05 -0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.52 1ye0 h LYS 7 Cb 0.53 -0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.86 1ye0 h LYS 7 CO -0.46 0.01 -1.34 1.15 -0.57 0.00 0.00 179.45 178.24 1ye0 h THR 8 N 0.02 1.37 -0.44 -0.16 2.02 -1.04 -2.74 112.91 111.94 1ye0 h THR 8 Ca 0.34 -2.80 -0.11 0.00 0.77 0.00 0.00 66.41 64.61 1ye0 h THR 8 Cb 1.35 2.94 -0.02 0.00 -1.74 0.00 0.00 68.15 70.68 1ye0 h THR 8 CO -0.01 0.83 -0.18 0.78 0.37 0.00 0.00 175.52 177.32 1ye0 h ASN 9 N 0.14 0.86 0.75 4.18 2.35 -0.42 -2.77 115.58 120.67 1ye0 h ASN 9 Ca -0.20 -0.30 -0.04 0.00 -0.55 0.00 0.00 56.30 55.22 1ye0 h ASN 9 Cb 2.04 -0.23 0.01 0.00 0.05 0.00 0.00 38.32 40.18 1ye0 h ASN 9 CO 0.24 1.02 -0.36 0.58 -1.65 0.00 0.00 177.43 177.27 1ye0 h VAL 10 N 0.75 0.11 -0.93 2.81 2.07 -1.44 -1.00 116.25 118.62 1ye0 h VAL 10 Ca 0.11 -0.22 0.28 0.00 0.82 0.00 0.00 66.70 67.69 1ye0 h VAL 10 Cb 0.70 0.14 -0.16 0.00 -1.52 0.00 0.00 31.29 30.45 1ye0 h VAL 10 CO 0.05 0.01 0.25 0.11 0.02 0.00 0.00 177.57 178.01 1ye0 h LYS 11 N -1.19 0.13 0.56 1.57 1.57 -1.54 -0.05 116.57 117.61 1ye0 h LYS 11 Ca -0.10 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 1ye0 h LYS 11 Cb 0.79 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 33.07 1ye0 h LYS 11 CO 0.17 0.09 -0.27 0.00 -0.57 0.00 0.00 179.45 178.87 1ye0 h ALA 12 N 1.87 -0.75 -0.50 3.86 0.00 -1.18 -0.76 119.26 121.80 1ye0 h ALA 12 Ca 0.62 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.37 1ye0 h ALA 12 Cb 1.35 0.29 -0.04 0.00 0.00 0.00 0.00 17.79 19.39 1ye0 h ALA 12 CO -0.74 -0.86 0.29 0.00 0.00 0.00 0.00 179.25 177.94 1ye0 h ALA 13 N -0.50 0.64 0.02 0.00 0.00 0.25 -1.73 119.26 117.94 1ye0 h ALA 13 Ca -0.08 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ye0 h ALA 13 Cb 0.62 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1ye0 h ALA 13 CO 0.13 -0.03 -0.01 2.35 0.00 0.00 0.00 179.25 181.69 1ye0 h TRP 14 N 0.57 -0.03 -1.00 0.00 2.91 -1.11 -2.59 115.95 114.71 1ye0 h TRP 14 Ca 0.21 -0.00 0.38 0.00 1.13 0.00 0.00 58.89 60.61 1ye0 h TRP 14 Cb 0.05 0.01 -0.18 0.00 -0.51 0.00 0.00 29.16 28.53 1ye0 h TRP 14 CO -0.08 0.15 0.47 0.78 -1.03 0.00 0.00 178.44 178.73 1ye0 h GLY 15 N -0.20 2.09 2.00 2.65 0.00 -0.28 1.23 103.07 110.57 1ye0 h GLY 15 Ca -0.00 -0.12 -0.06 0.00 0.00 0.00 0.00 47.33 47.15 1ye0 h GLY 15 CO 0.00 -0.72 -0.27 0.50 0.00 0.00 0.00 176.54 176.06 1ye0 h LYS 16 N 0.05 0.00 0.00 4.80 1.79 -1.00 -2.11 116.57 120.10 1ye0 h LYS 16 Ca 0.79 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 59.18 1ye0 h LYS 16 Cb 2.01 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 32.65 1ye0 h LYS 16 CO -0.77 0.27 -0.41 0.28 -1.08 0.00 0.00 179.45 177.74 1ye0 h VAL 17 N 0.00 1.26 0.00 0.50 2.07 0.17 -3.44 116.25 116.82 1ye0 h VAL 17 Ca -0.00 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 66.09 1ye0 h VAL 17 Cb 0.94 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 1ye0 h VAL 17 CO 0.04 0.40 0.00 0.61 0.02 0.00 0.00 177.57 178.64 1ye0 n GLY 18 N -0.30 0.68 0.74 2.17 0.00 -0.20 0.66 105.19 108.94 1ye0 n GLY 18 Ca -0.02 0.62 0.11 0.00 0.00 0.00 0.00 46.02 46.74 1ye0 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ye0 n ALA 19 N 5.52 2.49 -0.49 4.61 0.00 -1.26 -3.89 120.51 127.49 1ye0 n ALA 19 Ca 0.00 -0.65 0.10 0.00 0.00 0.00 0.00 53.44 52.89 1ye0 n ALA 19 Cb 0.00 -1.01 0.33 0.00 0.00 0.00 0.00 19.45 18.76 1ye0 n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ye0 n HIS 20 N 0.71 1.18 -0.34 0.00 8.25 0.21 -4.61 115.22 120.62 1ye0 n HIS 20 Ca 0.17 -0.56 -0.09 0.00 -0.26 0.00 0.00 57.72 56.98 1ye0 n HIS 20 Cb 0.43 -0.12 -0.08 0.00 1.12 0.00 0.00 29.99 31.34 1ye0 n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ye0 n ALA 21 N 1.28 -0.52 0.20 -1.41 0.00 -1.24 -1.25 120.51 117.57 1ye0 n ALA 21 Ca 0.24 0.69 -0.15 0.00 0.00 0.00 0.00 53.44 54.23 1ye0 n ALA 21 Cb 0.74 -0.10 -0.08 0.00 0.00 0.00 0.00 19.45 20.01 1ye0 n ALA 21 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1ye0 h GLY 22 N 0.00 -0.47 -0.08 0.00 0.00 -1.86 0.19 103.07 100.85 1ye0 h GLY 22 Ca 0.13 0.18 0.15 0.00 0.00 0.00 0.00 47.33 47.79 1ye0 h GLY 22 CO -0.77 -0.17 0.12 0.83 0.00 0.00 0.00 176.54 176.55 1ye0 h GLU 23 N -0.45 0.22 0.14 4.80 5.08 -1.79 0.24 114.58 122.82 1ye0 h GLU 23 Ca -0.04 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1ye0 h GLU 23 Cb 0.35 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1ye0 h GLU 23 CO 0.07 0.14 -0.07 1.88 -1.00 0.00 0.00 179.01 180.04 1ye0 h TYR 24 N 0.22 -0.17 -0.59 4.33 0.05 -0.54 -0.38 116.97 119.89 1ye0 h TYR 24 Ca 0.39 -0.00 0.12 0.00 0.05 0.00 0.00 58.73 59.28 1ye0 h TYR 24 Cb 0.66 0.06 -0.11 0.00 1.01 0.00 0.00 36.73 38.34 1ye0 h TYR 24 CO -0.30 -0.01 -0.17 0.78 -1.05 0.00 0.00 178.16 177.42 1ye0 h GLY 25 N -0.30 0.37 0.83 3.88 0.00 0.07 0.17 103.07 108.10 1ye0 h GLY 25 Ca -0.02 0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.50 1ye0 h GLY 25 CO 0.03 -0.23 0.02 0.00 0.00 0.00 0.00 176.54 176.36 1ye0 h ALA 26 N 1.53 0.28 -0.75 3.60 0.00 -0.81 -2.56 119.26 120.56 1ye0 h ALA 26 Ca 0.28 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.08 1ye0 h ALA 26 Cb 0.45 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 1ye0 h ALA 26 CO -0.62 -0.02 0.41 1.49 0.00 0.00 0.00 179.25 180.51 1ye0 h GLU 27 N 0.14 0.69 0.51 0.00 4.81 -0.23 -0.68 114.58 119.83 1ye0 h GLU 27 Ca 0.06 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 1ye0 h GLU 27 Cb 0.36 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.58 1ye0 h GLU 27 CO 0.01 0.46 -0.31 0.00 -0.73 0.00 0.00 179.01 178.44 1ye0 h ALA 28 N 1.42 -0.78 -0.84 2.92 0.00 -0.44 0.46 119.26 122.00 1ye0 h ALA 28 Ca 0.36 -0.15 0.13 0.00 0.00 0.00 0.00 54.91 55.24 1ye0 h ALA 28 Cb 0.32 0.37 -0.09 0.00 0.00 0.00 0.00 17.79 18.40 1ye0 h ALA 28 CO -0.24 -0.95 0.46 -0.07 0.00 0.00 0.00 179.25 178.45 1ye0 h LEU 29 N -0.77 0.60 -0.11 0.00 3.38 -1.06 0.12 115.31 117.47 1ye0 h LEU 29 Ca -0.06 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1ye0 h LEU 29 Cb 0.63 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1ye0 h LEU 29 CO 0.06 0.30 0.06 -0.08 0.09 0.00 0.00 178.44 178.87 1ye0 h GLU 30 N 0.70 0.16 -1.00 1.13 4.81 -0.68 -1.19 114.58 118.52 1ye0 h GLU 30 Ca 0.44 -0.02 0.13 0.00 -0.13 0.00 0.00 59.36 59.78 1ye0 h GLU 30 Cb 0.53 -0.03 -0.09 0.00 0.63 0.00 0.00 28.75 29.80 1ye0 h GLU 30 CO -0.31 0.20 0.63 0.00 -0.73 0.00 0.00 179.01 178.79 1ye0 h ARG 31 N 0.08 0.90 -0.06 1.92 3.08 0.22 -2.53 114.38 117.99 1ye0 h ARG 31 Ca 0.04 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1ye0 h ARG 31 Cb 0.08 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 1ye0 h ARG 31 CO -0.01 0.60 -0.01 1.98 -1.07 0.00 0.00 179.97 181.46 1ye0 h MET 32 N 0.93 0.11 -0.67 0.04 4.05 -0.28 -1.18 114.93 117.94 1ye0 h MET 32 Ca 0.51 -0.04 0.02 0.00 -0.28 0.00 0.00 59.70 59.91 1ye0 h MET 32 Cb 0.58 -0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 31.34 1ye0 h MET 32 CO -0.28 0.42 0.44 0.74 0.23 0.00 0.00 176.91 178.46 1ye0 h PHE 33 N -0.21 0.80 0.03 1.39 0.04 -1.17 0.43 116.94 118.24 1ye0 h PHE 33 Ca 0.02 0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.71 1ye0 h PHE 33 Cb 0.38 -0.27 0.01 0.00 2.20 0.00 0.00 35.95 38.27 1ye0 h PHE 33 CO 0.04 0.48 -0.39 -0.07 -0.60 0.00 0.00 178.31 177.77 1ye0 h LEU 34 N 0.84 0.30 0.12 1.54 3.38 -1.37 -3.18 115.31 116.95 1ye0 h LEU 34 Ca 0.26 -0.83 -0.28 0.00 0.09 0.00 0.00 57.88 57.11 1ye0 h LEU 34 Cb 0.00 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.66 1ye0 h LEU 34 CO -0.07 1.10 -1.32 0.28 0.09 0.00 0.00 178.44 178.52 1ye0 h SER 35 N -0.46 0.41 -2.91 -0.43 0.02 -0.97 -3.38 113.55 105.83 1ye0 h SER 35 Ca -0.06 -0.47 -0.62 0.00 -0.84 0.00 0.00 61.79 59.81 1ye0 h SER 35 Cb 1.18 -0.13 -0.42 0.00 0.14 0.00 0.00 62.40 63.17 1ye0 h SER 35 CO 0.08 1.38 -0.58 0.49 -1.14 0.00 0.00 176.83 177.05 1ye0 n PHE 36 N -3.51 3.32 0.30 3.45 3.01 0.15 -4.95 117.46 119.23 1ye0 n PHE 36 Ca -0.11 -4.28 0.19 0.00 1.01 0.00 0.00 57.45 54.26 1ye0 n PHE 36 Cb 1.03 -0.61 1.02 0.00 -0.01 0.00 0.00 39.48 40.91 1ye0 n PHE 36 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1ye0 h PRO 37 N 5.15 0.00 -0.07 -1.08 0.13 -1.71 -0.94 132.00 133.48 1ye0 h PRO 37 Ca 0.16 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.31 1ye0 h PRO 37 Cb 0.73 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.86 1ye0 h PRO 37 CO 0.74 0.00 0.07 1.79 -0.23 0.00 0.00 178.00 180.37 1ye0 h THR 38 N 0.00 0.54 0.00 1.56 1.35 -1.91 -1.37 112.91 113.08 1ye0 h THR 38 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.88 1ye0 h THR 38 Cb 0.16 0.94 0.00 0.00 -1.73 0.00 0.00 68.15 67.52 1ye0 h THR 38 CO -0.00 0.00 0.00 0.71 -0.25 0.00 0.00 175.52 175.98 1ye0 h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.49 -2.56 112.91 117.03 1ye0 h THR 39 Ca 0.03 -0.18 -0.01 0.00 -0.55 0.00 0.00 66.41 65.70 1ye0 h THR 39 Cb 0.18 0.92 -0.00 0.00 -1.73 0.00 0.00 68.15 67.52 1ye0 h THR 39 CO -0.00 0.00 -0.04 0.11 -0.25 0.00 0.00 175.52 175.34 1ye0 h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.44 -2.92 116.57 118.50 1ye0 h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ye0 h LYS 40 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1ye0 h LYS 40 CO 0.00 0.04 0.00 0.25 -0.57 0.00 0.00 179.45 179.17 1ye0 n THR 41 N -3.51 1.10 1.11 -0.16 -2.24 -0.97 -0.13 114.28 109.48 1ye0 n THR 41 Ca -0.02 0.40 0.12 0.00 -2.27 0.00 0.00 64.05 62.27 1ye0 n THR 41 Cb 0.15 -1.32 0.35 0.00 -2.10 0.00 0.00 70.33 67.42 1ye0 n THR 41 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1ye0 n TYR 42 N -1.96 0.19 -2.90 4.78 4.01 -1.10 -4.38 117.16 115.79 1ye0 n TYR 42 Ca 0.01 -0.09 -0.13 0.00 -0.16 0.00 0.00 57.90 57.53 1ye0 n TYR 42 Cb 0.13 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.17 1ye0 n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1ye0 n PHE 43 N 0.61 0.55 0.24 -0.72 3.01 0.82 -4.91 117.46 117.06 1ye0 n PHE 43 Ca 0.17 -3.22 0.11 0.00 1.01 0.00 0.00 57.45 55.52 1ye0 n PHE 43 Cb 0.42 -0.31 0.54 0.00 -0.01 0.00 0.00 39.48 40.12 1ye0 n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1ye0 h PRO 44 N 2.98 0.00 -0.55 -1.08 0.13 -1.76 -2.22 132.00 129.50 1ye0 h PRO 44 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1ye0 h PRO 44 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1ye0 h PRO 44 CO 0.48 0.18 0.00 -2.39 -0.23 0.00 0.00 178.00 176.04 1ye0 n HIS 45 N -3.41 0.82 -4.16 1.56 1.44 -1.26 -4.89 115.22 105.32 1ye0 n HIS 45 Ca -0.00 -0.35 -0.31 0.00 -2.01 0.00 0.00 57.72 55.04 1ye0 n HIS 45 Cb 0.38 -0.11 -0.08 0.00 0.12 0.00 0.00 29.99 30.30 1ye0 n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1ye0 s PHE 46 N -1.59 3.08 -0.88 -1.40 2.99 -0.84 -5.05 117.98 114.29 1ye0 s PHE 46 Ca 0.32 0.05 -0.21 0.00 0.00 0.00 0.00 56.93 57.08 1ye0 s PHE 46 Cb 0.19 -1.61 0.09 0.00 0.00 0.00 0.00 43.02 41.69 1ye0 s PHE 46 CO 0.18 0.49 1.18 0.34 -0.00 0.00 0.00 175.22 177.40 1ye0 s ASP 47 N -2.03 6.46 0.00 1.36 2.15 -1.26 -4.88 116.67 118.47 1ye0 s ASP 47 Ca 0.24 -1.54 0.24 0.00 0.43 0.00 0.00 52.55 51.92 1ye0 s ASP 47 Cb -0.12 -2.46 1.12 0.00 -0.30 0.00 0.00 42.92 41.16 1ye0 s ASP 47 CO 0.16 -1.32 1.76 0.18 -0.17 0.00 0.00 175.17 175.78 1ye0 n LEU 48 N 7.59 0.94 -4.55 -1.34 4.77 -1.26 -4.59 117.00 118.56 1ye0 n LEU 48 Ca 0.18 -0.36 -0.38 0.00 -0.03 0.00 0.00 56.01 55.43 1ye0 n LEU 48 Cb 0.49 -0.04 0.05 0.00 -2.33 0.00 0.00 43.42 41.59 1ye0 n LEU 48 CO 0.59 0.18 0.33 -1.54 -1.33 0.00 0.00 177.39 175.61 1ye0 n SER 49 N -0.21 -0.08 -4.73 -1.43 3.41 -1.26 -4.89 113.62 104.44 1ye0 n SER 49 Ca 0.18 0.76 -0.42 0.00 -0.26 0.00 0.00 58.87 59.12 1ye0 n SER 49 Cb 0.23 -1.30 -0.02 0.00 -0.26 0.00 0.00 64.21 62.87 1ye0 n SER 49 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1ye0 n HIS 50 N -1.81 2.70 -1.23 7.33 -0.00 -1.26 -2.03 115.22 118.92 1ye0 n HIS 50 Ca 0.13 0.26 -0.08 0.00 0.46 0.00 0.00 57.72 58.49 1ye0 n HIS 50 Cb 0.48 -2.58 -0.03 0.00 -0.12 0.00 0.00 29.99 27.74 1ye0 n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1ye0 n GLY 51 N 2.40 0.95 3.74 1.57 0.00 -1.26 -4.99 105.19 107.60 1ye0 n GLY 51 Ca 0.10 -0.45 -0.37 0.00 0.00 0.00 0.00 46.02 45.30 1ye0 n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ye0 s SER 52 N -2.70 4.77 0.50 1.61 0.15 -0.86 -4.91 113.70 112.26 1ye0 s SER 52 Ca 0.00 2.66 0.29 0.00 0.70 0.00 0.00 55.95 59.60 1ye0 s SER 52 Cb 0.00 -2.62 1.18 0.00 -1.71 0.00 0.00 66.02 62.87 1ye0 s SER 52 CO 0.00 -1.90 1.92 0.00 1.20 0.00 0.00 173.24 174.46 1ye0 h ALA 53 N 0.78 1.03 0.20 5.45 0.00 -1.90 -3.14 119.26 121.67 1ye0 h ALA 53 Ca -0.51 -0.09 -0.31 0.00 0.00 0.00 0.00 54.91 53.99 1ye0 h ALA 53 Cb 1.33 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 19.13 1ye0 h ALA 53 CO 0.54 0.13 -1.40 1.96 0.00 0.00 0.00 179.25 180.48 1ye0 h GLN 54 N 0.00 0.43 0.52 0.00 4.20 -1.91 -2.17 115.11 116.18 1ye0 h GLN 54 Ca -0.00 -0.73 -0.03 0.00 0.06 0.00 0.00 58.65 57.95 1ye0 h GLN 54 Cb 0.60 0.27 0.01 0.00 0.30 0.00 0.00 27.48 28.66 1ye0 h GLN 54 CO 0.01 1.35 -0.25 0.28 -0.67 0.00 0.00 178.83 179.55 1ye0 h VAL 55 N 0.12 0.42 -0.13 -0.54 2.07 -1.80 0.85 116.25 117.23 1ye0 h VAL 55 Ca -0.21 -0.32 0.02 0.00 0.82 0.00 0.00 66.70 67.01 1ye0 h VAL 55 Cb 2.09 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 32.36 1ye0 h VAL 55 CO 0.24 0.05 -0.32 0.11 0.02 0.00 0.00 177.57 177.67 1ye0 h LYS 56 N -0.91 -0.29 -0.80 1.57 1.57 -1.68 1.30 116.57 117.32 1ye0 h LYS 56 Ca -0.07 0.02 0.20 0.00 -1.87 0.00 0.00 60.65 58.93 1ye0 h LYS 56 Cb 0.61 0.07 -0.15 0.00 0.08 0.00 0.00 32.23 32.83 1ye0 h LYS 56 CO 0.12 -0.20 -0.06 0.41 -0.57 0.00 0.00 179.45 179.15 1ye0 n GLY 57 N -1.24 -1.19 0.10 3.86 0.00 -0.82 0.38 105.19 106.28 1ye0 n GLY 57 Ca -0.03 0.82 -0.04 0.00 0.00 0.00 0.00 46.02 46.77 1ye0 n GLY 57 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1ye0 h HIS 58 N 0.00 0.00 -0.30 1.61 -0.00 0.21 -3.01 115.15 113.66 1ye0 h HIS 58 Ca 0.45 0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.88 1ye0 h HIS 58 Cb 0.85 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 28.19 1ye0 h HIS 58 CO -0.49 0.78 -0.12 0.78 -0.00 0.00 0.00 177.93 178.88 1ye0 h GLY 59 N 2.46 0.13 0.84 5.26 0.00 1.63 -2.08 103.07 111.31 1ye0 h GLY 59 Ca -0.01 0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 1ye0 h GLY 59 CO 0.10 -0.15 -0.27 1.70 0.00 0.00 0.00 176.54 177.92 1ye0 h LYS 60 N -0.07 -0.63 -0.73 4.80 3.64 -1.11 -1.36 116.57 121.10 1ye0 h LYS 60 Ca 0.15 0.04 0.16 0.00 -1.27 0.00 0.00 60.65 59.74 1ye0 h LYS 60 Cb 0.30 0.14 -0.13 0.00 -0.41 0.00 0.00 32.23 32.13 1ye0 h LYS 60 CO -0.35 -0.42 -0.06 0.87 -2.27 0.00 0.00 179.45 177.22 1ye0 h LYS 61 N -0.65 0.06 -0.71 1.90 1.57 -1.42 0.89 116.57 118.22 1ye0 h LYS 61 Ca -0.04 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 1ye0 h LYS 61 Cb 0.55 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 1ye0 h LYS 61 CO 0.02 0.04 0.30 0.28 -0.57 0.00 0.00 179.45 179.52 1ye0 h VAL 62 N 0.06 1.24 -0.09 0.50 2.07 -1.13 -1.84 116.25 117.07 1ye0 h VAL 62 Ca 0.39 -0.75 -0.06 0.00 0.82 0.00 0.00 66.70 67.10 1ye0 h VAL 62 Cb 0.65 0.42 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1ye0 h VAL 62 CO -0.68 0.30 -0.18 0.00 0.02 0.00 0.00 177.57 177.03 1ye0 h ALA 63 N 1.14 0.14 -0.86 1.67 0.00 0.36 -2.36 119.26 119.35 1ye0 h ALA 63 Ca 0.24 -0.36 0.09 0.00 0.00 0.00 0.00 54.91 54.88 1ye0 h ALA 63 Cb 0.19 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.90 1ye0 h ALA 63 CO -0.02 0.07 0.56 -0.44 0.00 0.00 0.00 179.25 179.42 1ye0 h ASP 64 N -0.18 0.77 -0.43 0.00 3.32 0.82 0.31 116.42 121.02 1ye0 h ASP 64 Ca 0.00 0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.05 1ye0 h ASP 64 Cb 0.77 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.15 1ye0 h ASP 64 CO 0.04 0.46 0.20 0.00 -1.72 0.00 0.00 179.24 178.22 1ye0 h ALA 65 N 1.56 1.46 -0.04 3.45 0.00 -1.01 -0.86 119.26 123.82 1ye0 h ALA 65 Ca 0.40 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 1ye0 h ALA 65 Cb 0.40 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1ye0 h ALA 65 CO -0.16 0.42 -0.26 -0.07 0.00 0.00 0.00 179.25 179.18 1ye0 h LEU 66 N 0.67 0.30 -1.01 0.00 3.38 -0.58 -0.51 115.31 117.57 1ye0 h LEU 66 Ca 0.17 -0.67 0.20 0.00 0.09 0.00 0.00 57.88 57.67 1ye0 h LEU 66 Cb 0.12 -0.09 -0.11 0.00 0.09 0.00 0.00 40.66 40.67 1ye0 h LEU 66 CO -0.02 0.93 0.61 0.74 0.09 0.00 0.00 178.44 180.79 1ye0 h THR 67 N -0.30 0.67 -0.03 0.22 2.02 -0.65 0.22 112.91 115.07 1ye0 h THR 67 Ca -0.02 -0.25 -0.15 0.00 0.77 0.00 0.00 66.41 66.76 1ye0 h THR 67 Cb 0.93 -0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 1ye0 h THR 67 CO 0.05 0.13 -0.68 -1.13 0.37 0.00 0.00 175.52 174.27 1ye0 h ASN 68 N 0.72 0.14 -0.14 4.18 -1.24 -0.97 -2.07 115.58 116.20 1ye0 h ASN 68 Ca 0.60 -0.09 -0.02 0.00 0.71 0.00 0.00 56.30 57.50 1ye0 h ASN 68 Cb 0.98 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 39.98 1ye0 h ASN 68 CO -0.40 0.78 0.03 0.00 -1.29 0.00 0.00 177.43 176.54 1ye0 h ALA 69 N 1.22 0.19 -0.97 1.57 0.00 0.90 -2.10 119.26 120.07 1ye0 h ALA 69 Ca -0.01 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.77 1ye0 h ALA 69 Cb 1.21 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 1ye0 h ALA 69 CO 0.10 -0.17 0.64 0.28 0.00 0.00 0.00 179.25 180.10 1ye0 h VAL 70 N 0.02 1.21 0.00 0.00 2.07 -0.56 -0.72 116.25 118.27 1ye0 h VAL 70 Ca 0.04 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1ye0 h VAL 70 Cb 0.28 -0.17 0.00 0.00 -1.52 0.00 0.00 31.29 29.88 1ye0 h VAL 70 CO 0.00 0.23 0.00 0.00 0.02 0.00 0.00 177.57 177.82 1ye0 h ALA 71 N 1.42 1.00 -0.17 1.67 0.00 -1.21 -2.71 119.26 119.25 1ye0 h ALA 71 Ca 0.37 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.15 1ye0 h ALA 71 Cb -0.07 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.61 1ye0 h ALA 71 CO -0.10 0.00 -0.59 0.72 0.00 0.00 0.00 179.25 179.28 1ye0 n HIS 72 N -2.75 0.64 -0.35 0.00 8.25 -0.81 -4.86 115.22 115.35 1ye0 n HIS 72 Ca 0.03 -1.65 0.25 0.00 -0.26 0.00 0.00 57.72 56.09 1ye0 n HIS 72 Cb 0.41 -0.27 0.52 0.00 1.12 0.00 0.00 29.99 31.77 1ye0 n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1ye0 h VAL 73 N 1.43 0.44 -0.00 1.59 3.04 -0.81 0.86 116.25 122.80 1ye0 h VAL 73 Ca 0.08 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.65 1ye0 h VAL 73 Cb 1.15 0.05 0.00 0.00 -2.01 0.00 0.00 31.29 30.47 1ye0 h VAL 73 CO 0.18 0.06 -0.07 0.47 -1.01 0.00 0.00 177.57 177.20 1ye0 n ASP 74 N -4.71 0.12 -2.71 3.17 8.00 -1.26 -4.14 116.55 115.02 1ye0 n ASP 74 Ca 0.28 0.08 -0.06 0.00 0.71 0.00 0.00 54.79 55.80 1ye0 n ASP 74 Cb 0.97 -0.30 0.06 0.00 -0.02 0.00 0.00 41.12 41.83 1ye0 n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1ye0 n ASP 75 N -1.36 0.63 0.01 -2.24 2.03 0.26 -4.98 116.55 110.90 1ye0 n ASP 75 Ca 0.10 -2.48 -0.11 0.00 0.52 0.00 0.00 54.79 52.83 1ye0 n ASP 75 Cb 0.30 -0.14 -0.05 0.00 -0.72 0.00 0.00 41.12 40.51 1ye0 n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1ye0 h MET 76 N 2.58 0.03 -0.28 -0.67 2.86 -1.63 -2.79 114.93 115.03 1ye0 h MET 76 Ca -0.17 -0.00 0.08 0.00 -2.06 0.00 0.00 59.70 57.55 1ye0 h MET 76 Cb 1.23 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.87 1ye0 h MET 76 CO 0.27 0.02 0.70 -1.35 1.06 0.00 0.00 176.91 177.61 1ye0 h PRO 77 N 0.03 0.00 0.05 -0.22 0.11 -1.93 0.35 132.00 130.38 1ye0 h PRO 77 Ca 0.04 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 65.78 1ye0 h PRO 77 Cb 0.05 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 31.11 1ye0 h PRO 77 CO -0.07 0.00 -2.24 0.09 -0.21 0.00 0.00 178.00 175.58 1ye0 n ASN 78 N -3.02 1.85 0.27 -2.05 4.13 -1.07 -3.76 115.26 111.61 1ye0 n ASN 78 Ca 0.05 0.04 0.15 0.00 1.68 0.00 0.00 54.58 56.51 1ye0 n ASN 78 Cb 0.81 -0.48 0.64 0.00 -1.54 0.00 0.00 39.78 39.22 1ye0 n ASN 78 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1ye0 h ALA 79 N 0.15 1.02 -0.12 5.41 0.00 -0.25 -3.03 119.26 122.44 1ye0 h ALA 79 Ca -0.50 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1ye0 h ALA 79 Cb 1.98 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.77 1ye0 h ALA 79 CO -0.00 0.07 0.00 1.28 0.00 0.00 0.00 179.25 180.60 1ye0 n LEU 80 N -3.19 2.10 -0.24 0.00 4.77 -0.17 -4.76 117.00 115.51 1ye0 n LEU 80 Ca 0.00 -1.54 0.05 0.00 -0.03 0.00 0.00 56.01 54.49 1ye0 n LEU 80 Cb 0.33 -0.08 0.17 0.00 -2.33 0.00 0.00 43.42 41.51 1ye0 n LEU 80 CO 0.29 0.49 0.96 0.77 -1.33 0.00 0.00 177.39 178.57 1ye0 h SER 81 N 1.27 0.10 0.15 -1.43 4.64 -1.62 0.70 113.55 117.36 1ye0 h SER 81 Ca 0.00 0.13 -0.00 0.00 -0.47 0.00 0.00 61.79 61.44 1ye0 h SER 81 Cb 0.47 0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1ye0 h SER 81 CO 0.00 0.02 -0.09 0.00 -0.87 0.00 0.00 176.83 175.89 1ye0 h ALA 82 N 1.56 -0.22 -0.96 5.18 0.00 -1.85 -0.94 119.26 122.02 1ye0 h ALA 82 Ca 0.40 -0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.42 1ye0 h ALA 82 Cb 0.64 0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.44 1ye0 h ALA 82 CO -0.45 -0.63 0.57 1.25 0.00 0.00 0.00 179.25 179.99 1ye0 h LEU 83 N -0.23 0.76 0.02 0.00 5.85 -1.37 0.36 115.31 120.72 1ye0 h LEU 83 Ca -0.01 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1ye0 h LEU 83 Cb 0.19 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 1ye0 h LEU 83 CO 0.02 0.33 -0.02 0.28 -0.34 0.00 0.00 178.44 178.70 1ye0 h SER 84 N 0.80 -0.07 -0.92 1.25 0.02 -0.46 0.39 113.55 114.56 1ye0 h SER 84 Ca 0.53 0.01 0.05 0.00 -0.84 0.00 0.00 61.79 61.53 1ye0 h SER 84 Cb 0.72 0.02 -0.06 0.00 0.14 0.00 0.00 62.40 63.22 1ye0 h SER 84 CO -0.34 -0.04 0.59 0.44 -1.14 0.00 0.00 176.83 176.33 1ye0 h ASP 85 N -0.06 0.96 0.28 3.07 3.32 0.73 -2.41 116.42 122.31 1ye0 h ASP 85 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 1ye0 h ASP 85 Cb 0.06 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 1ye0 h ASP 85 CO -0.01 0.64 -0.17 0.25 -1.72 0.00 0.00 179.24 178.23 1ye0 h LEU 86 N 1.12 -0.43 -2.15 1.55 5.85 -0.06 -1.66 115.31 119.52 1ye0 h LEU 86 Ca 0.38 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.12 1ye0 h LEU 86 Cb 0.07 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1ye0 h LEU 86 CO -0.14 -0.26 0.17 0.45 -0.34 0.00 0.00 178.44 178.31 1ye0 h HIS 87 N -0.42 0.00 0.00 1.25 3.86 -0.73 -1.05 115.15 118.06 1ye0 h HIS 87 Ca -0.04 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 58.84 1ye0 h HIS 87 Cb 0.34 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 28.75 1ye0 h HIS 87 CO 0.03 0.00 -2.27 0.00 0.86 0.00 0.00 177.93 176.55 1ye0 n ALA 88 N -1.90 1.52 0.01 2.45 0.00 -0.92 -0.86 120.51 120.80 1ye0 n ALA 88 Ca -0.02 -0.98 0.03 0.00 0.00 0.00 0.00 53.44 52.47 1ye0 n ALA 88 Cb 0.22 -0.03 -0.11 0.00 0.00 0.00 0.00 19.45 19.53 1ye0 n ALA 88 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ye0 n HIS 89 N -3.11 0.53 -0.00 0.00 8.25 -0.63 -4.14 115.22 116.12 1ye0 n HIS 89 Ca -0.39 0.17 -0.02 0.00 -0.26 0.00 0.00 57.72 57.22 1ye0 n HIS 89 Cb 0.94 -0.89 -0.01 0.00 1.12 0.00 0.00 29.99 31.15 1ye0 n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1ye0 n LYS 90 N -2.65 0.14 -0.08 -0.41 4.81 -0.43 -4.76 118.16 114.78 1ye0 n LYS 90 Ca -0.11 0.06 -0.12 0.00 -0.87 0.00 0.00 58.31 57.27 1ye0 n LYS 90 Cb 0.78 -0.67 0.01 0.00 0.02 0.00 0.00 35.03 35.16 1ye0 n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1ye0 h LEU 91 N -0.27 0.90 -2.57 3.14 4.07 -1.64 -3.48 115.31 115.45 1ye0 h LEU 91 Ca 0.00 -0.42 -0.36 0.00 0.08 0.00 0.00 57.88 57.17 1ye0 h LEU 91 Cb 0.27 -0.25 0.12 0.00 1.08 0.00 0.00 40.66 41.88 1ye0 h LEU 91 CO 0.00 1.19 -0.88 0.54 -1.08 0.00 0.00 178.44 178.21 1ye0 n ARG 92 N -4.04 -2.60 -3.07 1.13 1.74 -0.04 -4.96 116.66 104.81 1ye0 n ARG 92 Ca -0.02 0.65 -0.40 0.00 -0.77 0.00 0.00 57.85 57.31 1ye0 n ARG 92 Cb 0.56 -5.01 -0.05 0.00 -1.02 0.00 0.00 32.46 26.94 1ye0 n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ye0 s VAL 93 N -3.48 5.02 0.06 1.55 1.01 -1.03 -5.00 120.40 118.53 1ye0 s VAL 93 Ca 0.34 1.41 -0.31 0.00 0.00 0.00 0.00 61.98 63.43 1ye0 s VAL 93 Cb -0.09 -4.02 -0.07 0.00 0.00 0.00 0.00 36.38 32.20 1ye0 s VAL 93 CO 0.80 0.28 1.46 -0.62 0.00 0.00 0.00 175.10 177.03 1ye0 s ASP 94 N 0.62 6.77 0.15 3.32 2.15 -1.26 -4.82 116.67 123.61 1ye0 s ASP 94 Ca 0.36 2.30 0.06 0.00 0.43 0.00 0.00 52.55 55.70 1ye0 s ASP 94 Cb -0.18 -2.57 0.35 0.00 -0.30 0.00 0.00 42.92 40.22 1ye0 s ASP 94 CO 0.18 -0.74 1.05 -2.65 -0.17 0.00 0.00 175.17 172.84 1ye0 n PRO 95 N 4.83 0.04 0.07 4.34 -0.02 -1.26 -1.81 135.00 141.20 1ye0 n PRO 95 Ca 0.13 0.43 -0.16 0.00 -2.02 0.00 0.00 63.50 61.88 1ye0 n PRO 95 Cb 0.42 -1.88 -0.08 0.00 -0.02 0.00 0.00 33.50 31.95 1ye0 n PRO 95 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1ye0 h VAL 96 N 0.00 1.37 0.00 -1.45 2.07 -2.03 -3.11 116.25 113.09 1ye0 h VAL 96 Ca 0.00 -2.47 0.00 0.00 0.82 0.00 0.00 66.70 65.05 1ye0 h VAL 96 Cb 0.47 2.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.74 1ye0 h VAL 96 CO 0.00 0.74 0.01 0.78 0.02 0.00 0.00 177.57 179.13 1ye0 h ASN 97 N 0.25 0.00 -0.78 0.57 4.21 -1.74 -1.80 115.58 116.29 1ye0 h ASN 97 Ca -0.11 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.39 1ye0 h ASN 97 Cb 1.69 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 38.85 1ye0 h ASN 97 CO 0.19 0.00 0.43 -0.26 -1.29 0.00 0.00 177.43 176.49 1ye0 h PHE 98 N 0.00 1.07 0.00 1.19 0.04 -1.71 -2.42 116.94 115.10 1ye0 h PHE 98 Ca 0.00 -0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 1ye0 h PHE 98 Cb 0.03 -0.34 -0.00 0.00 2.20 0.00 0.00 35.95 37.83 1ye0 h PHE 98 CO 0.00 0.75 -0.10 0.87 -0.60 0.00 0.00 178.31 179.23 1ye0 h LYS 99 N 1.08 0.00 0.23 1.51 1.57 -1.52 -2.01 116.57 117.42 1ye0 h LYS 99 Ca 0.27 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.73 1ye0 h LYS 99 Cb 0.03 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.37 1ye0 h LYS 99 CO -0.04 0.10 -1.43 -0.07 -0.57 0.00 0.00 179.45 177.43 1ye0 h LEU 100 N 0.00 0.75 -0.02 2.94 3.38 -1.50 -2.68 115.31 118.18 1ye0 h LEU 100 Ca -0.00 -0.80 -0.01 0.00 0.09 0.00 0.00 57.88 57.16 1ye0 h LEU 100 Cb 0.32 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1ye0 h LEU 100 CO 0.01 1.63 -0.01 0.25 0.09 0.00 0.00 178.44 180.42 1ye0 h LEU 101 N 0.13 0.05 -0.45 1.67 6.46 -1.14 -2.22 115.31 119.80 1ye0 h LEU 101 Ca -0.23 -0.38 0.09 0.00 -0.12 0.00 0.00 57.88 57.23 1ye0 h LEU 101 Cb 2.13 -0.01 -0.10 0.00 -0.73 0.00 0.00 40.66 41.95 1ye0 h LEU 101 CO 0.26 0.42 -0.34 0.28 -0.62 0.00 0.00 178.44 178.44 1ye0 h SER 102 N -0.33 -1.14 -0.97 1.25 0.02 -1.47 0.70 113.55 111.62 1ye0 h SER 102 Ca 0.01 0.20 0.09 0.00 -0.84 0.00 0.00 61.79 61.25 1ye0 h SER 102 Cb 0.40 0.54 -0.07 0.00 0.14 0.00 0.00 62.40 63.40 1ye0 h SER 102 CO 0.00 -0.32 0.62 -0.74 -1.14 0.00 0.00 176.83 175.26 1ye0 h HIS 103 N -0.23 1.12 0.00 3.45 -0.00 -1.46 0.25 115.15 118.28 1ye0 h HIS 103 Ca 0.19 0.03 -0.08 0.00 -0.00 0.00 0.00 60.37 60.51 1ye0 h HIS 103 Cb 0.54 -0.36 -0.01 0.00 -0.00 0.00 0.00 27.41 27.58 1ye0 h HIS 103 CO -0.57 0.51 -0.37 0.00 -0.00 0.00 0.00 177.93 177.50 1ye0 h LEU 105 N 0.00 -0.57 -0.79 0.00 -0.00 0.36 -2.73 115.31 111.58 1ye0 h LEU 105 Ca -0.00 -0.07 0.15 0.00 -0.00 0.00 0.00 57.88 57.95 1ye0 h LEU 105 Cb 0.83 0.15 -0.10 0.00 -0.00 0.00 0.00 40.66 41.54 1ye0 h LEU 105 CO 0.05 -0.22 0.34 -0.07 -0.00 0.00 0.00 178.44 178.55 1ye0 h LEU 106 N -0.95 0.35 -1.83 1.67 3.38 -0.96 0.70 115.31 117.66 1ye0 h LEU 106 Ca -0.07 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1ye0 h LEU 106 Cb 0.60 0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 1ye0 h LEU 106 CO 0.11 0.13 -0.14 0.58 0.09 0.00 0.00 178.44 179.21 1ye0 h VAL 107 N 0.49 0.63 0.15 1.22 2.07 -1.18 0.33 116.25 119.97 1ye0 h VAL 107 Ca 0.44 -0.59 -0.28 0.00 0.82 0.00 0.00 66.70 67.08 1ye0 h VAL 107 Cb 0.67 1.38 0.01 0.00 -1.52 0.00 0.00 31.29 31.82 1ye0 h VAL 107 CO -0.40 0.13 -1.39 0.74 0.02 0.00 0.00 177.57 176.68 1ye0 h THR 108 N 0.00 1.13 -0.72 2.57 2.02 0.61 -2.56 112.91 115.96 1ye0 h THR 108 Ca -0.00 -2.48 -0.02 0.00 0.77 0.00 0.00 66.41 64.67 1ye0 h THR 108 Cb 0.36 2.86 -0.03 0.00 -1.74 0.00 0.00 68.15 69.60 1ye0 h THR 108 CO 0.02 0.75 0.36 -0.07 0.37 0.00 0.00 175.52 176.95 1ye0 h LEU 109 N -0.17 0.94 -1.17 2.58 3.38 -0.59 -1.57 115.31 118.70 1ye0 h LEU 109 Ca -0.28 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.53 1ye0 h LEU 109 Cb 1.86 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 42.35 1ye0 h LEU 109 CO 0.13 0.80 0.13 0.00 0.09 0.00 0.00 178.44 179.59 1ye0 h ALA 110 N 1.18 1.33 0.00 1.53 0.00 -0.37 0.29 119.26 123.23 1ye0 h ALA 110 Ca 0.25 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ye0 h ALA 110 Cb 0.10 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1ye0 h ALA 110 CO -0.03 0.48 -0.06 0.00 0.00 0.00 0.00 179.25 179.64 1ye0 h ALA 111 N 1.45 0.97 0.00 0.00 0.00 -1.12 -3.33 119.26 117.23 1ye0 h ALA 111 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.71 1ye0 h ALA 111 Cb 0.24 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 1ye0 h ALA 111 CO -0.01 0.00 -2.37 0.72 0.00 0.00 0.00 179.25 177.60 1ye0 n HIS 112 N -2.96 0.00 -3.17 0.00 -0.00 -0.62 -4.72 115.22 103.75 1ye0 n HIS 112 Ca 0.04 0.00 -0.37 0.00 -0.00 0.00 0.00 57.72 57.39 1ye0 n HIS 112 Cb 0.52 -0.96 -0.02 0.00 -0.00 0.00 0.00 29.99 29.53 1ye0 n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1ye0 n LEU 113 N -2.94 5.46 -0.10 2.41 4.77 0.99 -4.90 117.00 122.70 1ye0 n LEU 113 Ca -0.37 -5.29 -0.05 0.00 -0.03 0.00 0.00 56.01 50.27 1ye0 n LEU 113 Cb 1.06 -1.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1ye0 n LEU 113 CO 0.34 1.81 0.50 1.55 -1.33 0.00 0.00 177.39 180.26 1ye0 h PRO 114 N 5.04 -0.09 -0.36 3.23 0.13 -1.82 -2.16 132.00 135.97 1ye0 h PRO 114 Ca 0.20 0.01 0.02 0.00 -0.87 0.00 0.00 66.00 65.36 1ye0 h PRO 114 Cb 0.64 0.02 -0.02 0.00 0.13 0.00 0.00 31.00 31.77 1ye0 h PRO 114 CO 1.15 -0.06 0.24 0.00 -0.23 0.00 0.00 178.00 179.10 1ye0 h ALA 115 N -0.66 1.85 0.00 -0.56 0.00 -1.94 -1.83 119.26 116.12 1ye0 h ALA 115 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ye0 h ALA 115 Cb 0.20 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1ye0 h ALA 115 CO -0.28 0.11 -0.42 0.39 0.00 0.00 0.00 179.25 179.05 1ye0 n GLU 116 N -4.49 0.24 -1.30 0.00 4.71 -1.00 -4.42 120.64 114.39 1ye0 n GLU 116 Ca 0.03 0.11 -0.27 0.00 -0.01 0.00 0.00 57.16 57.01 1ye0 n GLU 116 Cb 0.14 -1.69 -0.08 0.00 -1.01 0.00 0.00 31.44 28.80 1ye0 n GLU 116 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1ye0 n PHE 117 N -2.06 1.42 -1.47 -0.32 7.35 -0.69 -4.77 117.46 116.92 1ye0 n PHE 117 Ca 0.04 -2.32 -0.32 0.00 -0.76 0.00 0.00 57.45 54.10 1ye0 n PHE 117 Cb 0.42 -1.94 0.07 0.00 0.35 0.00 0.00 39.48 38.38 1ye0 n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1ye0 s THR 118 N 0.80 3.31 0.37 -2.13 -4.23 -1.26 -4.76 115.64 107.73 1ye0 s THR 118 Ca 0.66 0.50 0.36 0.00 -1.18 0.00 0.00 61.69 62.03 1ye0 s THR 118 Cb 0.26 -3.00 0.36 0.00 1.34 0.00 0.00 72.50 71.46 1ye0 s THR 118 CO -0.06 -0.48 2.12 -0.65 -0.54 0.00 0.00 174.62 175.00 1ye0 h PRO 119 N -0.65 0.00 0.16 3.99 0.11 -1.98 0.49 132.00 134.12 1ye0 h PRO 119 Ca -0.45 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.34 1ye0 h PRO 119 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1ye0 h PRO 119 CO 0.53 0.00 -1.60 0.00 -0.21 0.00 0.00 178.00 176.72 1ye0 h ALA 120 N 1.97 0.16 0.00 -0.75 0.00 -1.95 -2.78 119.26 115.91 1ye0 h ALA 120 Ca 0.00 -1.11 -0.12 0.00 0.00 0.00 0.00 54.91 53.68 1ye0 h ALA 120 Cb 0.03 0.46 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1ye0 h ALA 120 CO 0.00 0.93 -0.56 0.28 0.00 0.00 0.00 179.25 179.90 1ye0 h VAL 121 N -0.08 1.36 -0.17 0.00 2.07 -1.48 -2.17 116.25 115.79 1ye0 h VAL 121 Ca -0.33 -1.96 -0.02 0.00 0.82 0.00 0.00 66.70 65.21 1ye0 h VAL 121 Cb 1.95 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 33.78 1ye0 h VAL 121 CO 0.13 0.55 0.03 -0.74 0.02 0.00 0.00 177.57 177.55 1ye0 h HIS 122 N 0.00 0.30 0.00 1.57 6.17 -0.13 -1.22 115.15 121.83 1ye0 h HIS 122 Ca -0.01 -0.04 -0.06 0.00 0.71 0.00 0.00 60.37 60.97 1ye0 h HIS 122 Cb 1.03 -0.08 -0.01 0.00 2.52 0.00 0.00 27.41 30.87 1ye0 h HIS 122 CO 0.00 0.44 -0.30 0.00 0.71 0.00 0.00 177.93 178.78 1ye0 h ALA 123 N 0.81 1.31 0.08 5.26 0.00 -1.41 -1.88 119.26 123.43 1ye0 h ALA 123 Ca 0.05 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1ye0 h ALA 123 Cb 0.31 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1ye0 h ALA 123 CO 0.00 0.38 -0.04 0.77 0.00 0.00 0.00 179.25 180.36 1ye0 h SER 124 N 0.00 -0.09 -0.60 0.00 0.02 -0.96 -2.92 113.55 108.99 1ye0 h SER 124 Ca -0.00 -0.47 -0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1ye0 h SER 124 Cb 0.61 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.14 1ye0 h SER 124 CO 0.04 0.46 0.37 -0.07 -1.14 0.00 0.00 176.83 176.49 1ye0 h LEU 125 N -0.70 0.73 -0.93 5.07 3.38 -1.16 0.23 115.31 121.94 1ye0 h LEU 125 Ca -0.01 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1ye0 h LEU 125 Cb 0.56 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 1ye0 h LEU 125 CO 0.02 0.57 0.52 -0.78 0.09 0.00 0.00 178.44 178.85 1ye0 h ASP 126 N 0.85 1.13 0.60 -0.43 3.58 -1.32 0.14 116.42 120.97 1ye0 h ASP 126 Ca 0.22 -0.09 -0.15 0.00 0.42 0.00 0.00 57.03 57.43 1ye0 h ASP 126 Cb -0.03 -0.29 -0.02 0.00 1.72 0.00 0.00 39.33 40.72 1ye0 h ASP 126 CO -0.04 0.90 -0.70 0.11 -2.88 0.00 0.00 179.24 176.62 1ye0 h LYS 127 N 1.28 0.09 0.39 0.28 1.57 -1.13 -2.83 116.57 116.22 1ye0 h LYS 127 Ca 0.32 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 59.01 1ye0 h LYS 127 Cb 0.00 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1ye0 h LYS 127 CO -0.05 0.75 -0.19 0.35 -0.57 0.00 0.00 179.45 179.74 1ye0 h PHE 128 N 0.06 -0.49 -0.80 -1.35 3.57 0.17 -2.09 116.94 116.01 1ye0 h PHE 128 Ca -0.01 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.45 1ye0 h PHE 128 Cb 1.24 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 40.11 1ye0 h PHE 128 CO 0.01 -0.19 0.38 -0.07 -2.23 0.00 0.00 178.31 176.22 1ye0 h LEU 129 N -0.77 1.05 -1.81 0.59 3.38 -0.91 -1.33 115.31 115.51 1ye0 h LEU 129 Ca -0.05 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 1ye0 h LEU 129 Cb 0.52 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1ye0 h LEU 129 CO 0.09 0.88 -0.15 0.00 0.09 0.00 0.00 178.44 179.35 1ye0 h ALA 130 N 1.27 1.47 -0.04 1.53 0.00 -1.49 -1.57 119.26 120.43 1ye0 h ALA 130 Ca 0.28 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.86 1ye0 h ALA 130 Cb 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1ye0 h ALA 130 CO -0.03 0.19 -0.80 0.77 0.00 0.00 0.00 179.25 179.37 1ye0 h SER 131 N 0.00 0.40 -0.62 0.00 0.02 -0.53 -1.49 113.55 111.32 1ye0 h SER 131 Ca -0.00 -0.28 -0.06 0.00 -0.84 0.00 0.00 61.79 60.61 1ye0 h SER 131 Cb 0.33 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 1ye0 h SER 131 CO 0.02 1.04 0.16 0.58 -1.14 0.00 0.00 176.83 177.49 1ye0 h VAL 132 N 0.20 1.25 -0.51 2.27 2.07 -0.68 -2.97 116.25 117.89 1ye0 h VAL 132 Ca -0.04 -0.91 -0.08 0.00 0.82 0.00 0.00 66.70 66.49 1ye0 h VAL 132 Cb 1.39 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 1ye0 h VAL 132 CO 0.13 0.34 0.00 0.28 0.02 0.00 0.00 177.57 178.34 1ye0 h SER 133 N 0.90 0.88 0.00 0.57 0.02 -1.08 0.55 113.55 115.39 1ye0 h SER 133 Ca 0.19 -0.31 0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1ye0 h SER 133 Cb 0.35 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1ye0 h SER 133 CO 0.00 0.97 -0.06 0.74 -1.14 0.00 0.00 176.83 177.34 1ye0 h THR 134 N 0.76 0.85 -0.51 -2.27 2.02 -1.25 -0.14 112.91 112.38 1ye0 h THR 134 Ca 0.14 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.39 1ye0 h THR 134 Cb 0.52 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 67.75 1ye0 h THR 134 CO 0.03 0.00 0.34 0.58 0.37 0.00 0.00 175.52 176.84 1ye0 h VAL 135 N -0.10 0.95 0.00 3.16 2.07 -1.33 -1.03 116.25 119.97 1ye0 h VAL 135 Ca 0.02 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1ye0 h VAL 135 Cb 0.13 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 1ye0 h VAL 135 CO -0.06 0.08 -0.09 0.18 0.02 0.00 0.00 177.57 177.70 1ye0 n LEU 136 N -4.47 0.31 -0.51 2.57 4.77 0.16 -3.53 117.00 116.30 1ye0 n LEU 136 Ca 0.07 0.45 0.07 0.00 -0.03 0.00 0.00 56.01 56.57 1ye0 n LEU 136 Cb 0.27 -0.41 0.16 0.00 -2.33 0.00 0.00 43.42 41.12 1ye0 n LEU 136 CO 0.34 -0.04 0.39 0.35 -1.33 0.00 0.00 177.39 177.11 1ye0 n THR 137 N -1.74 1.77 0.03 -5.08 -2.24 -0.19 -4.66 114.28 102.17 1ye0 n THR 137 Ca 0.06 -2.54 0.02 0.00 -2.27 0.00 0.00 64.05 59.33 1ye0 n THR 137 Cb 0.37 -0.08 -0.09 0.00 -2.10 0.00 0.00 70.33 68.43 1ye0 n THR 137 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ye0 n SER 138 N -1.00 0.68 -1.85 3.42 3.41 -0.72 -4.10 113.62 113.46 1ye0 n SER 138 Ca 0.16 0.29 -0.13 0.00 -0.26 0.00 0.00 58.87 58.93 1ye0 n SER 138 Cb 0.72 0.49 0.17 0.00 -0.26 0.00 0.00 64.21 65.33 1ye0 n SER 138 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ye0 n LYS 139 N -2.77 2.36 -0.02 4.33 5.02 -1.26 -4.56 118.16 121.26 1ye0 n LYS 139 Ca -0.10 -2.29 -0.16 0.00 -2.02 0.00 0.00 58.31 53.74 1ye0 n LYS 139 Cb 0.79 -1.93 -0.10 0.00 -0.02 0.00 0.00 35.03 33.77 1ye0 n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1ye0 h TYR 140 N 1.22 0.54 0.00 2.13 0.99 -1.93 -3.46 116.97 116.47 1ye0 h TYR 140 Ca 0.38 -0.26 0.00 0.00 2.00 0.00 0.00 58.73 60.85 1ye0 h TYR 140 Cb 2.25 -0.08 0.00 0.00 1.00 0.00 0.00 36.73 39.91 1ye0 h TYR 140 CO 1.13 1.03 0.00 2.89 -0.00 0.00 0.00 178.16 183.21