#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ye0 s HIS 2 N 0.00 2.03 -0.29 2.03 5.04 -1.26 -4.93 115.29 117.91 1ye0 s HIS 2 Ca 0.00 0.20 -0.07 0.00 -1.54 0.00 0.00 55.06 53.64 1ye0 s HIS 2 Cb 0.00 -4.17 0.00 0.00 0.04 0.00 0.00 32.58 28.45 1ye0 s HIS 2 CO 0.00 -1.58 0.09 -0.51 -2.34 0.00 0.00 174.74 170.40 1ye0 s LEU 3 N 9.30 3.83 0.55 8.88 1.02 -1.26 -5.09 118.68 135.91 1ye0 s LEU 3 Ca 0.65 -0.63 -0.15 0.00 0.02 0.00 0.00 54.13 54.02 1ye0 s LEU 3 Cb -0.03 -1.90 -0.06 0.00 0.02 0.00 0.00 46.19 44.22 1ye0 s LEU 3 CO 0.04 -0.17 1.01 0.42 0.02 0.00 0.00 176.35 177.66 1ye0 s THR 4 N 1.53 4.45 0.42 5.49 -4.23 -1.26 -4.84 115.64 117.19 1ye0 s THR 4 Ca 0.03 1.08 0.10 0.00 -1.18 0.00 0.00 61.69 61.72 1ye0 s THR 4 Cb -0.17 -3.69 0.21 0.00 1.34 0.00 0.00 72.50 70.19 1ye0 s THR 4 CO 0.03 -0.76 2.00 -0.65 -0.54 0.00 0.00 174.62 174.69 1ye0 h PRO 5 N 0.53 0.30 -0.47 3.99 0.11 -1.98 0.14 132.00 134.63 1ye0 h PRO 5 Ca -0.46 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.62 1ye0 h PRO 5 Cb 1.19 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 1ye0 h PRO 5 CO 0.61 0.31 0.29 1.05 -0.21 0.00 0.00 178.00 180.05 1ye0 h GLU 6 N 0.30 0.57 -0.56 1.05 9.09 -1.99 0.94 114.58 123.99 1ye0 h GLU 6 Ca 0.07 -0.03 0.03 0.00 0.05 0.00 0.00 59.36 59.48 1ye0 h GLU 6 Cb 0.17 -0.13 -0.04 0.00 -1.65 0.00 0.00 28.75 27.10 1ye0 h GLU 6 CO 0.00 0.38 0.33 0.93 0.05 0.00 0.00 179.01 180.70 1ye0 h GLU 7 N 0.59 0.64 -0.35 1.06 5.08 -1.46 0.22 114.58 120.35 1ye0 h GLU 7 Ca 0.18 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.55 1ye0 h GLU 7 Cb -0.02 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.04 1ye0 h GLU 7 CO -0.06 0.42 0.11 -0.22 -1.00 0.00 0.00 179.01 178.25 1ye0 h LYS 8 N 0.65 0.24 0.82 2.33 1.63 -0.04 -0.28 116.57 121.92 1ye0 h LYS 8 Ca 0.23 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 59.98 1ye0 h LYS 8 Cb 0.04 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 31.61 1ye0 h LYS 8 CO -0.11 0.16 -0.50 1.03 -3.45 0.00 0.00 179.45 176.58 1ye0 h SER 9 N 0.25 -1.25 -0.78 4.20 0.87 0.10 0.43 113.55 117.36 1ye0 h SER 9 Ca 0.16 0.07 0.17 0.00 -1.23 0.00 0.00 61.79 60.97 1ye0 h SER 9 Cb 0.15 0.36 -0.14 0.00 -0.44 0.00 0.00 62.40 62.34 1ye0 h SER 9 CO -0.18 -0.77 -0.07 0.00 -0.53 0.00 0.00 176.83 175.28 1ye0 h ALA 10 N -1.18 0.71 0.59 6.23 0.00 -0.46 1.14 119.26 126.29 1ye0 h ALA 10 Ca -0.11 0.27 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1ye0 h ALA 10 Cb 0.98 0.50 0.01 0.00 0.00 0.00 0.00 17.79 19.28 1ye0 h ALA 10 CO 0.11 -0.43 -0.28 0.28 0.00 0.00 0.00 179.25 178.93 1ye0 h VAL 11 N 0.05 0.09 -0.13 0.00 2.07 -0.63 -2.54 116.25 115.16 1ye0 h VAL 11 Ca 0.41 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 67.54 1ye0 h VAL 11 Cb 0.71 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1ye0 h VAL 11 CO -0.74 0.02 -0.00 0.74 0.02 0.00 0.00 177.57 177.60 1ye0 h THR 12 N -1.17 0.91 -0.91 2.57 2.02 0.26 -1.99 112.91 114.60 1ye0 h THR 12 Ca -0.08 -0.01 0.14 0.00 0.77 0.00 0.00 66.41 67.22 1ye0 h THR 12 Cb 0.63 0.86 -0.07 0.00 -1.74 0.00 0.00 68.15 67.83 1ye0 h THR 12 CO 0.13 0.01 0.58 0.00 0.37 0.00 0.00 175.52 176.61 1ye0 h ALA 13 N 1.11 1.77 0.07 6.16 0.00 0.13 -2.72 119.26 125.78 1ye0 h ALA 13 Ca 0.06 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 1ye0 h ALA 13 Cb 0.07 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.73 1ye0 h ALA 13 CO -0.10 -0.01 -0.45 1.25 0.00 0.00 0.00 179.25 179.94 1ye0 h LEU 14 N 0.75 0.27 -2.17 0.00 5.85 -1.13 -3.25 115.31 115.62 1ye0 h LEU 14 Ca 0.45 -0.96 0.00 0.00 0.84 0.00 0.00 57.88 58.22 1ye0 h LEU 14 Cb 0.66 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.61 1ye0 h LEU 14 CO -0.22 1.20 0.28 -0.25 -0.34 0.00 0.00 178.44 179.12 1ye0 h TRP 15 N -0.63 0.00 0.00 1.25 2.91 -1.07 0.15 115.95 118.56 1ye0 h TRP 15 Ca -0.08 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.94 1ye0 h TRP 15 Cb 1.34 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.99 1ye0 h TRP 15 CO 0.23 0.00 0.00 0.41 -1.03 0.00 0.00 178.44 178.05 1ye0 n GLY 16 N -1.20 -0.83 0.51 2.65 0.00 -1.06 -2.24 105.19 103.01 1ye0 n GLY 16 Ca -0.02 -0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.04 1ye0 n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ye0 n LYS 17 N -1.35 1.41 -2.95 1.61 5.02 0.04 -4.97 118.16 116.97 1ye0 n LYS 17 Ca 0.06 -1.04 -0.41 0.00 -2.02 0.00 0.00 58.31 54.90 1ye0 n LYS 17 Cb 0.13 -1.43 -0.05 0.00 -0.02 0.00 0.00 35.03 33.67 1ye0 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ye0 s VAL 18 N -2.28 4.92 -0.83 -0.18 1.01 -0.95 -4.97 120.40 117.12 1ye0 s VAL 18 Ca 0.18 1.51 -0.25 0.00 0.00 0.00 0.00 61.98 63.42 1ye0 s VAL 18 Cb 0.17 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 32.47 1ye0 s VAL 18 CO 0.50 0.06 1.63 0.21 0.00 0.00 0.00 175.10 177.50 1ye0 s ASN 19 N 1.15 5.79 0.27 3.32 2.47 -1.26 -4.85 114.94 121.83 1ye0 s ASN 19 Ca 0.36 -0.61 -0.03 0.00 0.42 0.00 0.00 52.86 53.00 1ye0 s ASN 19 Cb -0.16 -2.56 0.36 0.00 -1.45 0.00 0.00 41.25 37.44 1ye0 s ASN 19 CO 0.12 -2.10 1.85 -0.37 -3.72 0.00 0.00 177.10 172.88 1ye0 h VAL 20 N 6.75 1.23 -0.80 -5.21 -1.51 -1.95 -1.91 116.25 112.86 1ye0 h VAL 20 Ca -0.04 -0.70 0.10 0.00 -1.23 0.00 0.00 66.70 64.83 1ye0 h VAL 20 Cb 1.05 0.40 -0.12 0.00 -2.13 0.00 0.00 31.29 30.50 1ye0 h VAL 20 CO 1.29 0.28 -0.49 0.44 -1.23 0.00 0.00 177.57 177.86 1ye0 h ASP 21 N 0.97 -1.77 -0.15 4.19 3.32 -1.92 -2.24 116.42 118.81 1ye0 h ASP 21 Ca 0.23 0.29 -0.21 0.00 0.02 0.00 0.00 57.03 57.36 1ye0 h ASP 21 Cb 0.16 0.81 0.01 0.00 0.22 0.00 0.00 39.33 40.53 1ye0 h ASP 21 CO -0.02 -0.30 -0.72 -0.33 -1.72 0.00 0.00 179.24 176.15 1ye0 h GLU 22 N -0.12 0.76 0.00 3.56 5.08 -1.78 -3.22 114.58 118.85 1ye0 h GLU 22 Ca 0.20 -0.61 -0.10 0.00 -1.00 0.00 0.00 59.36 57.84 1ye0 h GLU 22 Cb 0.52 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1ye0 h GLU 22 CO -0.83 1.22 -0.49 0.28 -1.00 0.00 0.00 179.01 178.19 1ye0 h VAL 23 N 0.48 1.29 -0.13 3.13 2.07 -1.16 -1.39 116.25 120.53 1ye0 h VAL 23 Ca -0.05 -1.71 -0.17 0.00 0.82 0.00 0.00 66.70 65.60 1ye0 h VAL 23 Cb 1.35 1.94 -0.01 0.00 -1.52 0.00 0.00 31.29 33.05 1ye0 h VAL 23 CO 0.15 0.48 -0.62 1.23 0.02 0.00 0.00 177.57 178.82 1ye0 h GLY 24 N 1.60 0.52 0.98 2.17 0.00 -1.50 -0.63 103.07 106.22 1ye0 h GLY 24 Ca -0.00 -0.66 -0.10 0.00 0.00 0.00 0.00 47.33 46.57 1ye0 h GLY 24 CO 0.06 0.59 -0.17 -1.33 0.00 0.00 0.00 176.54 175.69 1ye0 h GLY 25 N 1.16 0.82 1.64 4.60 0.00 -1.50 -1.99 103.07 107.81 1ye0 h GLY 25 Ca -0.01 -0.73 -0.05 0.00 0.00 0.00 0.00 47.33 46.54 1ye0 h GLY 25 CO 0.11 0.67 -0.03 0.83 0.00 0.00 0.00 176.54 178.12 1ye0 h GLU 26 N 0.55 0.45 -0.05 4.80 4.39 -0.85 -1.68 114.58 122.18 1ye0 h GLU 26 Ca 0.08 -0.10 -0.09 0.00 0.34 0.00 0.00 59.36 59.60 1ye0 h GLU 26 Cb 0.71 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1ye0 h GLU 26 CO 0.05 0.50 -0.32 0.00 -1.16 0.00 0.00 179.01 178.08 1ye0 h ALA 27 N 1.55 0.11 -0.16 3.43 0.00 -0.99 -0.27 119.26 122.92 1ye0 h ALA 27 Ca 0.09 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.52 1ye0 h ALA 27 Cb 0.33 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1ye0 h ALA 27 CO 0.01 0.17 -0.04 1.25 0.00 0.00 0.00 179.25 180.65 1ye0 h LEU 28 N -0.21 0.32 -0.13 0.00 5.85 -1.30 0.29 115.31 120.13 1ye0 h LEU 28 Ca -0.03 -0.37 0.05 0.00 0.84 0.00 0.00 57.88 58.38 1ye0 h LEU 28 Cb 0.99 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.87 1ye0 h LEU 28 CO 0.07 0.61 -0.33 1.23 -0.34 0.00 0.00 178.44 179.68 1ye0 h GLY 29 N 0.02 -0.46 1.20 3.75 0.00 -1.28 -0.62 103.07 105.68 1ye0 h GLY 29 Ca 0.04 0.41 0.04 0.00 0.00 0.00 0.00 47.33 47.81 1ye0 h GLY 29 CO 0.02 -0.22 0.45 3.21 0.00 0.00 0.00 176.54 179.99 1ye0 h ARG 30 N -0.41 0.78 -0.37 4.80 3.08 -0.84 -1.50 114.38 119.93 1ye0 h ARG 30 Ca 0.09 -0.05 0.04 0.00 0.07 0.00 0.00 59.98 60.14 1ye0 h ARG 30 Cb 0.55 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 30.39 1ye0 h ARG 30 CO -0.36 0.52 0.14 1.25 -1.07 0.00 0.00 179.97 180.45 1ye0 h LEU 31 N 0.81 0.17 -1.15 3.04 5.85 0.59 0.12 115.31 124.73 1ye0 h LEU 31 Ca 0.27 0.04 -0.07 0.00 0.84 0.00 0.00 57.88 58.96 1ye0 h LEU 31 Cb 0.08 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1ye0 h LEU 31 CO -0.08 0.13 -0.34 -0.07 -0.34 0.00 0.00 178.44 177.74 1ye0 h LEU 32 N 0.30 0.00 0.06 2.25 3.38 -0.49 -2.71 115.31 118.10 1ye0 h LEU 32 Ca 0.17 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.83 1ye0 h LEU 32 Cb 0.13 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 1ye0 h LEU 32 CO -0.16 0.34 -1.67 0.00 0.09 0.00 0.00 178.44 177.04 1ye0 h ALA 33 N 1.66 0.53 0.00 1.53 0.00 -0.53 -3.09 119.26 119.36 1ye0 h ALA 33 Ca -0.00 -1.31 -0.03 0.00 0.00 0.00 0.00 54.91 53.57 1ye0 h ALA 33 Cb 0.77 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1ye0 h ALA 33 CO 0.04 1.38 -0.70 0.28 0.00 0.00 0.00 179.25 180.26 1ye0 h VAL 34 N 0.04 0.13 -2.03 0.00 2.07 -0.80 -3.38 116.25 112.27 1ye0 h VAL 34 Ca -0.28 -1.21 -0.52 0.00 0.82 0.00 0.00 66.70 65.51 1ye0 h VAL 34 Cb 2.00 1.79 -0.40 0.00 -1.52 0.00 0.00 31.29 33.16 1ye0 h VAL 34 CO 0.11 0.07 -1.11 -1.22 0.02 0.00 0.00 177.57 175.44 1ye0 n TYR 35 N -2.88 0.46 0.17 1.57 4.01 -1.02 -4.99 117.16 114.47 1ye0 n TYR 35 Ca 0.00 -3.77 0.07 0.00 -0.16 0.00 0.00 57.90 54.04 1ye0 n TYR 35 Cb 0.59 -0.41 0.36 0.00 -0.31 0.00 0.00 39.34 39.57 1ye0 n TYR 35 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1ye0 n PRO 36 N 0.58 0.09 -0.21 -0.72 -0.04 -1.17 -1.06 135.00 132.48 1ye0 n PRO 36 Ca 0.25 0.57 0.05 0.00 -0.04 0.00 0.00 63.50 64.33 1ye0 n PRO 36 Cb 0.59 -2.11 0.31 0.00 -0.04 0.00 0.00 33.50 32.26 1ye0 n PRO 36 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 1ye0 h TRP 37 N 0.00 0.85 -0.99 0.54 0.09 -1.93 -2.52 115.95 112.00 1ye0 h TRP 37 Ca 0.00 0.02 0.22 0.00 0.09 0.00 0.00 58.89 59.23 1ye0 h TRP 37 Cb 0.62 -0.28 -0.09 0.00 0.08 0.00 0.00 29.16 29.49 1ye0 h TRP 37 CO 0.00 0.47 0.63 1.79 0.09 0.00 0.00 178.44 181.42 1ye0 h THR 38 N 0.86 0.63 -1.44 0.12 1.35 -1.43 -1.98 112.91 111.02 1ye0 h THR 38 Ca 0.32 -0.18 0.48 0.00 -0.55 0.00 0.00 66.41 66.49 1ye0 h THR 38 Cb 0.16 0.07 -0.13 0.00 -1.73 0.00 0.00 68.15 66.52 1ye0 h THR 38 CO -0.10 0.09 0.94 0.00 -0.25 0.00 0.00 175.52 176.21 1ye0 n GLN 39 N -4.64 -0.03 -0.02 4.72 6.02 -0.95 -0.98 117.38 121.51 1ye0 n GLN 39 Ca 0.23 1.21 0.18 0.00 -0.01 0.00 0.00 57.00 58.61 1ye0 n GLN 39 Cb 0.73 -2.44 0.29 0.00 1.02 0.00 0.00 30.24 29.84 1ye0 n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1ye0 h ARG 40 N 0.00 0.00 0.00 -1.09 0.11 -1.55 0.28 114.38 112.13 1ye0 h ARG 40 Ca 0.88 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.96 1ye0 h ARG 40 Cb 2.92 0.00 0.00 0.00 1.11 0.00 0.00 29.97 34.00 1ye0 h ARG 40 CO -0.40 0.00 -0.70 0.74 0.10 0.00 0.00 179.97 179.71 1ye0 h PHE 41 N 0.00 0.00 -0.81 4.08 -1.00 -1.32 -3.40 116.94 114.50 1ye0 h PHE 41 Ca 0.32 0.00 -0.42 0.00 2.81 0.00 0.00 57.97 60.68 1ye0 h PHE 41 Cb 2.57 0.00 -0.41 0.00 3.61 0.00 0.00 35.95 41.72 1ye0 h PHE 41 CO 0.00 0.00 -0.98 1.19 -1.61 0.00 0.00 178.31 176.91 1ye0 n PHE 42 N -2.14 2.06 0.00 -0.55 3.01 0.98 -4.84 117.46 115.99 1ye0 n PHE 42 Ca 0.03 -2.44 0.16 0.00 1.01 0.00 0.00 57.45 56.21 1ye0 n PHE 42 Cb 0.45 -0.27 0.63 0.00 -0.01 0.00 0.00 39.48 40.28 1ye0 n PHE 42 CO 0.00 0.00 0.00 1.05 1.01 0.00 0.00 176.76 178.82 1ye0 h GLU 43 N 2.54 0.12 -0.17 -1.08 4.11 -1.78 -0.21 114.58 118.11 1ye0 h GLU 43 Ca 0.10 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.52 1ye0 h GLU 43 Cb 1.28 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1ye0 h GLU 43 CO 0.53 0.08 0.00 -1.13 0.07 0.00 0.00 179.01 178.56 1ye0 n SER 44 N -4.43 0.17 -0.81 3.06 3.41 -1.26 -3.30 113.62 110.45 1ye0 n SER 44 Ca 0.08 -1.02 0.08 0.00 -0.26 0.00 0.00 58.87 57.76 1ye0 n SER 44 Cb 0.48 -0.08 0.15 0.00 -0.26 0.00 0.00 64.21 64.49 1ye0 n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1ye0 n PHE 45 N -0.25 0.33 -2.43 7.33 0.99 -0.09 -5.08 117.46 118.25 1ye0 n PHE 45 Ca 0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 57.45 57.22 1ye0 n PHE 45 Cb 0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 39.48 38.52 1ye0 n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ye0 n GLY 46 N 1.00 0.34 3.63 1.37 0.00 -1.21 -4.83 105.19 105.49 1ye0 n GLY 46 Ca 0.13 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 1ye0 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ye0 s ASP 47 N -4.00 6.22 -0.08 1.61 3.68 -1.26 -4.81 116.67 118.02 1ye0 s ASP 47 Ca 0.00 1.75 0.12 0.00 2.13 0.00 0.00 52.55 56.55 1ye0 s ASP 47 Cb 0.00 -2.53 0.18 0.00 -1.45 0.00 0.00 42.92 39.12 1ye0 s ASP 47 CO 0.00 -1.37 1.07 0.18 0.13 0.00 0.00 175.17 175.18 1ye0 n LEU 48 N 8.95 1.77 -0.36 -1.34 4.77 -1.26 -4.25 117.00 125.28 1ye0 n LEU 48 Ca 0.21 -2.41 0.05 0.00 -0.03 0.00 0.00 56.01 53.83 1ye0 n LEU 48 Cb 0.45 -0.27 0.21 0.00 -2.33 0.00 0.00 43.42 41.48 1ye0 n LEU 48 CO 0.66 0.56 1.24 0.77 -1.33 0.00 0.00 177.39 179.29 1ye0 h SER 49 N 0.00 0.96 -5.38 -1.43 4.64 -1.91 -3.43 113.55 107.00 1ye0 h SER 49 Ca 0.00 0.03 -0.17 0.00 -0.47 0.00 0.00 61.79 61.19 1ye0 h SER 49 Cb 0.99 -0.17 -0.15 0.00 -0.31 0.00 0.00 62.40 62.77 1ye0 h SER 49 CO 0.00 0.56 -0.63 0.42 -0.87 0.00 0.00 176.83 176.31 1ye0 s THR 50 N -6.00 0.12 0.00 2.95 -4.23 -1.26 -5.02 115.64 102.20 1ye0 s THR 50 Ca -0.12 -1.85 0.00 0.00 -1.18 0.00 0.00 61.69 58.54 1ye0 s THR 50 Cb 0.21 -1.93 0.00 0.00 1.34 0.00 0.00 72.50 72.12 1ye0 s THR 50 CO 0.81 -0.54 0.77 -2.65 -0.54 0.00 0.00 174.62 172.46 1ye0 n PRO 51 N -0.07 0.00 -0.33 3.99 -0.02 -1.26 -0.28 135.00 137.04 1ye0 n PRO 51 Ca -0.07 0.77 0.14 0.00 -2.02 0.00 0.00 63.50 62.31 1ye0 n PRO 51 Cb 0.63 -1.18 0.33 0.00 -0.02 0.00 0.00 33.50 33.26 1ye0 n PRO 51 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1ye0 h ASP 52 N 0.00 0.57 -0.17 2.55 3.32 -1.97 0.32 116.42 121.03 1ye0 h ASP 52 Ca 0.00 0.13 0.02 0.00 0.02 0.00 0.00 57.03 57.20 1ye0 h ASP 52 Cb 0.00 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1ye0 h ASP 52 CO 0.00 0.12 0.02 0.00 -1.72 0.00 0.00 179.24 177.66 1ye0 h ALA 53 N 1.68 0.16 0.66 3.45 0.00 -1.35 -2.21 119.26 121.67 1ye0 h ALA 53 Ca 0.58 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.49 1ye0 h ALA 53 Cb 1.03 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.88 1ye0 h ALA 53 CO -0.46 -0.42 -0.32 0.28 0.00 0.00 0.00 179.25 178.33 1ye0 h VAL 54 N 0.08 0.13 -0.31 0.00 2.07 0.25 -2.87 116.25 115.60 1ye0 h VAL 54 Ca 0.08 -0.31 0.09 0.00 0.82 0.00 0.00 66.70 67.38 1ye0 h VAL 54 Cb 0.08 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 1ye0 h VAL 54 CO -0.11 0.02 0.41 0.24 0.02 0.00 0.00 177.57 178.14 1ye0 h MET 55 N -1.16 0.00 -0.01 1.57 2.07 -0.56 -2.34 114.93 114.49 1ye0 h MET 55 Ca -0.09 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.54 1ye0 h MET 55 Cb 0.71 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.44 1ye0 h MET 55 CO 0.15 0.00 -0.08 0.41 1.07 0.00 0.00 176.91 178.46 1ye0 n GLY 56 N -1.43 -0.24 3.67 8.32 0.00 -0.83 -4.90 105.19 109.78 1ye0 n GLY 56 Ca 0.05 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 1ye0 n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ye0 s ASN 57 N -1.13 6.58 0.50 1.61 3.84 -0.88 -4.89 114.94 120.56 1ye0 s ASN 57 Ca 0.12 2.46 0.28 0.00 0.21 0.00 0.00 52.86 55.93 1ye0 s ASN 57 Cb 0.09 -2.54 1.25 0.00 -0.55 0.00 0.00 41.25 39.50 1ye0 s ASN 57 CO 0.19 -0.95 1.96 -0.65 -2.79 0.00 0.00 177.10 174.86 1ye0 h PRO 58 N 9.41 0.00 0.00 0.43 0.11 -1.92 -2.10 132.00 137.93 1ye0 h PRO 58 Ca -0.43 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.56 1ye0 h PRO 58 Cb 1.20 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1ye0 h PRO 58 CO 0.94 0.13 -0.56 0.87 -0.21 0.00 0.00 178.00 179.17 1ye0 h LYS 59 N 0.00 0.00 0.16 1.05 1.57 -1.90 -0.63 116.57 116.82 1ye0 h LYS 59 Ca -0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1ye0 h LYS 59 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1ye0 h LYS 59 CO 0.02 0.56 -0.08 0.28 -0.57 0.00 0.00 179.45 179.66 1ye0 h VAL 60 N 0.00 0.97 -0.68 0.50 2.07 -1.73 0.08 116.25 117.46 1ye0 h VAL 60 Ca -0.01 -0.64 -0.06 0.00 0.82 0.00 0.00 66.70 66.81 1ye0 h VAL 60 Cb 1.01 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 1ye0 h VAL 60 CO 0.07 0.15 0.19 0.11 0.02 0.00 0.00 177.57 178.11 1ye0 h LYS 61 N -0.53 1.07 -0.43 1.57 1.57 -1.47 0.68 116.57 119.03 1ye0 h LYS 61 Ca -0.02 -0.24 -0.08 0.00 -1.87 0.00 0.00 60.65 58.45 1ye0 h LYS 61 Cb 0.41 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 1ye0 h LYS 61 CO 0.04 0.93 -0.05 0.00 -0.57 0.00 0.00 179.45 179.80 1ye0 h ALA 62 N 1.18 1.12 -0.14 3.86 0.00 -1.10 -2.57 119.26 121.60 1ye0 h ALA 62 Ca 0.22 -0.27 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 1ye0 h ALA 62 Cb 0.33 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ye0 h ALA 62 CO -0.00 0.56 -0.69 1.25 0.00 0.00 0.00 179.25 180.37 1ye0 h HIS 63 N 0.67 0.77 -0.94 0.00 -0.00 0.42 -3.05 115.15 113.02 1ye0 h HIS 63 Ca 0.13 -0.32 0.12 0.00 -0.00 0.00 0.00 60.37 60.29 1ye0 h HIS 63 Cb 0.48 -0.13 -0.08 0.00 -0.00 0.00 0.00 27.41 27.68 1ye0 h HIS 63 CO 0.02 1.10 0.57 0.78 -0.00 0.00 0.00 177.93 180.40 1ye0 h GLY 64 N 0.99 1.53 1.86 5.26 0.00 0.69 -1.52 103.07 111.88 1ye0 h GLY 64 Ca -0.02 -0.38 -0.17 0.00 0.00 0.00 0.00 47.33 46.76 1ye0 h GLY 64 CO 0.13 0.13 -0.75 1.70 0.00 0.00 0.00 176.54 177.75 1ye0 h LYS 65 N 0.91 0.13 -0.11 4.80 3.64 -1.46 -2.43 116.57 122.04 1ye0 h LYS 65 Ca 0.47 -0.12 -0.07 0.00 -1.27 0.00 0.00 60.65 59.66 1ye0 h LYS 65 Cb 0.47 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 1ye0 h LYS 65 CO -0.27 0.82 -0.24 -0.22 -2.27 0.00 0.00 179.45 177.28 1ye0 h LYS 66 N 0.08 0.20 0.08 1.90 3.64 -1.18 -2.10 116.57 119.19 1ye0 h LYS 66 Ca -0.02 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.19 1ye0 h LYS 66 Cb 1.32 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 33.14 1ye0 h LYS 66 CO 0.11 0.43 -0.48 0.28 -2.27 0.00 0.00 179.45 177.52 1ye0 h VAL 67 N 0.18 1.61 -0.26 2.00 2.07 -1.20 -3.23 116.25 117.42 1ye0 h VAL 67 Ca 0.03 -2.42 -0.05 0.00 0.82 0.00 0.00 66.70 65.09 1ye0 h VAL 67 Cb 0.53 3.22 -0.01 0.00 -1.52 0.00 0.00 31.29 33.50 1ye0 h VAL 67 CO 0.04 0.66 -0.04 0.25 0.02 0.00 0.00 177.57 178.50 1ye0 h LEU 68 N -0.59 0.38 -1.63 2.57 7.12 -1.46 -0.58 115.31 121.11 1ye0 h LEU 68 Ca -0.08 -0.07 -0.04 0.00 0.13 0.00 0.00 57.88 57.82 1ye0 h LEU 68 Cb 1.36 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 41.39 1ye0 h LEU 68 CO 0.09 0.47 -0.19 1.23 -0.13 0.00 0.00 178.44 179.91 1ye0 h GLY 69 N 0.77 0.00 1.66 3.75 0.00 -1.44 0.35 103.07 108.17 1ye0 h GLY 69 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.14 1ye0 h GLY 69 CO 0.01 0.00 -1.22 0.00 0.00 0.00 0.00 176.54 175.33 1ye0 h ALA 70 N 1.81 0.11 -0.30 3.60 0.00 -1.17 -2.68 119.26 120.62 1ye0 h ALA 70 Ca -0.00 -0.89 0.03 0.00 0.00 0.00 0.00 54.91 54.05 1ye0 h ALA 70 Cb 0.35 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1ye0 h ALA 70 CO 0.03 0.99 0.12 0.35 0.00 0.00 0.00 179.25 180.74 1ye0 h PHE 71 N 0.07 0.22 -0.99 0.00 3.57 0.03 -2.75 116.94 117.09 1ye0 h PHE 71 Ca -0.13 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.44 1ye0 h PHE 71 Cb 1.96 -0.06 -0.06 0.00 2.79 0.00 0.00 35.95 40.58 1ye0 h PHE 71 CO 0.06 0.11 0.64 0.77 -2.23 0.00 0.00 178.31 177.66 1ye0 h SER 72 N 0.27 1.04 -0.23 0.41 0.02 -0.97 0.10 113.55 114.19 1ye0 h SER 72 Ca 0.13 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.14 1ye0 h SER 72 Cb 0.08 -0.22 -0.07 0.00 0.14 0.00 0.00 62.40 62.32 1ye0 h SER 72 CO -0.12 0.68 -0.37 0.44 -1.14 0.00 0.00 176.83 176.32 1ye0 h ASP 73 N 1.19 -1.19 -0.73 3.07 5.19 -1.21 -2.46 116.42 120.29 1ye0 h ASP 73 Ca 0.41 0.18 0.16 0.00 -0.62 0.00 0.00 57.03 57.16 1ye0 h ASP 73 Cb 0.11 0.51 -0.12 0.00 0.18 0.00 0.00 39.33 40.01 1ye0 h ASP 73 CO -0.15 -0.37 0.11 1.23 -3.12 0.00 0.00 179.24 176.93 1ye0 h GLY 74 N -0.39 0.93 2.00 2.75 0.00 -0.55 0.66 103.07 108.47 1ye0 h GLY 74 Ca 0.11 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1ye0 h GLY 74 CO -0.44 -0.23 0.00 1.04 0.00 0.00 0.00 176.54 176.91 1ye0 n LEU 75 N -5.23 0.28 -0.63 3.11 4.77 -0.73 -0.73 117.00 117.84 1ye0 n LEU 75 Ca 0.13 0.59 0.13 0.00 -0.03 0.00 0.00 56.01 56.83 1ye0 n LEU 75 Cb 0.46 -0.57 0.39 0.00 -2.33 0.00 0.00 43.42 41.37 1ye0 n LEU 75 CO 0.10 -0.49 0.79 0.00 -1.33 0.00 0.00 177.39 176.46 1ye0 n ALA 76 N -1.62 2.54 -2.79 -1.18 0.00 0.23 -4.25 120.51 113.43 1ye0 n ALA 76 Ca 0.02 -0.53 -0.02 0.00 0.00 0.00 0.00 53.44 52.91 1ye0 n ALA 76 Cb 0.13 -1.05 0.05 0.00 0.00 0.00 0.00 19.45 18.58 1ye0 n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ye0 n HIS 77 N 0.54 0.89 0.00 0.00 8.25 0.10 -4.95 115.22 120.05 1ye0 n HIS 77 Ca 0.17 -2.21 0.00 0.00 -0.26 0.00 0.00 57.72 55.42 1ye0 n HIS 77 Cb 0.43 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.47 1ye0 n HIS 77 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1ye0 n LEU 78 N -0.59 0.00 -0.01 2.41 7.99 -1.06 -0.99 117.00 124.76 1ye0 n LEU 78 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.05 1ye0 n LEU 78 Cb 0.81 0.00 -0.00 0.00 -0.11 0.00 0.00 43.42 44.12 1ye0 n LEU 78 CO 0.08 0.00 0.10 0.47 -1.51 0.00 0.00 177.39 176.54 1ye0 n ASP 79 N -0.60 0.44 -3.01 -1.43 10.43 -1.26 -4.65 116.55 116.47 1ye0 n ASP 79 Ca 0.00 -0.72 -0.15 0.00 2.57 0.00 0.00 54.79 56.49 1ye0 n ASP 79 Cb 0.00 0.60 -0.00 0.00 1.84 0.00 0.00 41.12 43.56 1ye0 n ASP 79 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1ye0 n ASN 80 N -0.60 0.58 -0.05 -2.24 5.15 -0.16 -4.96 115.26 112.99 1ye0 n ASN 80 Ca 0.00 -2.99 -0.11 0.00 -0.60 0.00 0.00 54.58 50.88 1ye0 n ASN 80 Cb 0.01 -0.31 -0.05 0.00 -0.53 0.00 0.00 39.78 38.91 1ye0 n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1ye0 h LEU 81 N 2.97 0.27 -1.27 1.20 3.38 -1.81 0.26 115.31 120.30 1ye0 h LEU 81 Ca 0.02 -0.21 0.11 0.00 0.09 0.00 0.00 57.88 57.89 1ye0 h LEU 81 Cb 1.04 -0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.66 1ye0 h LEU 81 CO 0.45 0.40 0.55 0.11 0.09 0.00 0.00 178.44 180.04 1ye0 h LYS 82 N 0.12 0.76 -0.19 1.13 1.57 -1.92 -0.87 116.57 117.18 1ye0 h LYS 82 Ca 0.06 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.65 1ye0 h LYS 82 Cb 0.23 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1ye0 h LYS 82 CO -0.00 0.50 -0.45 0.78 -0.57 0.00 0.00 179.45 179.72 1ye0 h GLY 83 N 0.79 0.69 0.49 3.86 0.00 -1.87 -2.95 103.07 104.07 1ye0 h GLY 83 Ca 0.40 -0.85 0.06 0.00 0.00 0.00 0.00 47.33 46.94 1ye0 h GLY 83 CO -0.17 0.76 0.03 -0.84 0.00 0.00 0.00 176.54 176.32 1ye0 h THR 84 N 0.31 0.77 -0.54 4.70 2.02 -0.20 -3.23 112.91 116.74 1ye0 h THR 84 Ca -0.00 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1ye0 h THR 84 Cb 1.06 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.09 1ye0 h THR 84 CO 0.10 0.02 0.00 0.49 0.37 0.00 0.00 175.52 176.50 1ye0 n PHE 85 N -5.14 0.71 -0.02 3.16 3.01 -0.40 -4.51 117.46 114.26 1ye0 n PHE 85 Ca 0.02 -0.36 0.01 0.00 1.01 0.00 0.00 57.45 58.13 1ye0 n PHE 85 Cb 0.18 0.00 0.34 0.00 -0.01 0.00 0.00 39.48 39.98 1ye0 n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ye0 h ALA 86 N 4.27 1.50 0.05 4.37 0.00 -1.54 0.40 119.26 128.32 1ye0 h ALA 86 Ca 0.00 -0.12 -0.23 0.00 0.00 0.00 0.00 54.91 54.55 1ye0 h ALA 86 Cb 0.87 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1ye0 h ALA 86 CO 0.00 0.38 -1.05 1.79 0.00 0.00 0.00 179.25 180.37 1ye0 h THR 87 N 0.57 1.52 0.00 0.00 1.35 -1.85 -2.37 112.91 112.13 1ye0 h THR 87 Ca 0.14 -2.90 -0.03 0.00 -0.55 0.00 0.00 66.41 63.07 1ye0 h THR 87 Cb 0.14 2.71 -0.00 0.00 -1.73 0.00 0.00 68.15 69.27 1ye0 h THR 87 CO -0.01 0.84 -0.15 -0.07 -0.25 0.00 0.00 175.52 175.88 1ye0 h LEU 88 N 0.09 0.00 0.23 3.87 4.07 -1.59 -2.32 115.31 119.66 1ye0 h LEU 88 Ca -0.08 0.00 -0.01 0.00 0.08 0.00 0.00 57.88 57.87 1ye0 h LEU 88 Cb 1.75 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.49 1ye0 h LEU 88 CO 0.17 0.15 -0.11 -1.28 -1.08 0.00 0.00 178.44 176.29 1ye0 h SER 89 N 0.00 -0.26 -0.69 -0.43 0.87 -0.09 -2.52 113.55 110.44 1ye0 h SER 89 Ca -0.00 -0.22 0.07 0.00 -1.23 0.00 0.00 61.79 60.41 1ye0 h SER 89 Cb 0.77 0.07 -0.06 0.00 -0.44 0.00 0.00 62.40 62.73 1ye0 h SER 89 CO 0.02 0.11 0.37 -0.33 -0.53 0.00 0.00 176.83 176.47 1ye0 h GLU 90 N -0.66 0.64 0.54 2.24 5.08 -1.39 -2.02 114.58 119.00 1ye0 h GLU 90 Ca -0.03 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.27 1ye0 h GLU 90 Cb 0.47 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 1ye0 h GLU 90 CO 0.05 0.42 -0.44 1.25 -1.00 0.00 0.00 179.01 179.29 1ye0 h LEU 91 N 0.66 -1.18 -1.69 1.33 5.85 -1.43 0.48 115.31 119.32 1ye0 h LEU 91 Ca 0.32 0.09 0.08 0.00 0.84 0.00 0.00 57.88 59.21 1ye0 h LEU 91 Cb 0.26 0.38 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 1ye0 h LEU 91 CO -0.22 -0.63 0.35 0.45 -0.34 0.00 0.00 178.44 178.06 1ye0 h HIS 92 N -0.97 0.37 0.00 1.25 3.86 -1.31 -0.75 115.15 117.60 1ye0 h HIS 92 Ca -0.06 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1ye0 h HIS 92 Cb 0.82 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 29.17 1ye0 h HIS 92 CO -0.19 0.19 -0.06 0.00 0.86 0.00 0.00 177.93 178.73 1ye0 h ASP 94 N -0.34 0.00 0.00 0.00 3.32 -0.08 -3.00 116.42 116.32 1ye0 h ASP 94 Ca 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 1ye0 h ASP 94 Cb 0.06 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1ye0 h ASP 94 CO 0.00 0.14 -1.33 0.29 -1.72 0.00 0.00 179.24 176.62 1ye0 n LYS 95 N -3.66 2.00 0.00 3.56 4.01 -0.31 -4.68 118.16 119.07 1ye0 n LYS 95 Ca -0.02 0.01 0.10 0.00 -0.51 0.00 0.00 58.31 57.90 1ye0 n LYS 95 Cb 0.26 -1.12 -0.07 0.00 -0.51 0.00 0.00 35.03 33.59 1ye0 n LYS 95 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1ye0 n LEU 96 N -2.38 0.80 -3.74 -0.35 4.77 -1.08 -5.00 117.00 110.03 1ye0 n LEU 96 Ca -0.09 -0.35 -0.24 0.00 -0.03 0.00 0.00 56.01 55.31 1ye0 n LEU 96 Cb 0.64 -0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.71 1ye0 n LEU 96 CO 0.08 0.19 -0.11 1.41 -1.33 0.00 0.00 177.39 177.63 1ye0 n HIS 97 N -1.62 -1.86 -3.58 -1.77 8.25 -0.29 -4.96 115.22 109.38 1ye0 n HIS 97 Ca 0.03 0.75 -0.38 0.00 -0.26 0.00 0.00 57.72 57.86 1ye0 n HIS 97 Cb 0.36 -4.04 -0.11 0.00 1.12 0.00 0.00 29.99 27.33 1ye0 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1ye0 s VAL 98 N -3.70 5.30 0.15 1.59 1.01 -0.61 -5.02 120.40 119.12 1ye0 s VAL 98 Ca 0.10 0.20 -0.31 0.00 0.00 0.00 0.00 61.98 61.96 1ye0 s VAL 98 Cb -0.03 -3.54 -0.10 0.00 0.00 0.00 0.00 36.38 32.71 1ye0 s VAL 98 CO 0.84 0.25 1.63 -0.62 0.00 0.00 0.00 175.10 177.20 1ye0 s ASP 99 N 1.71 6.55 0.64 3.32 3.68 -1.26 -4.78 116.67 126.53 1ye0 s ASP 99 Ca 0.08 2.64 0.36 0.00 2.13 0.00 0.00 52.55 57.75 1ye0 s ASP 99 Cb -0.16 -2.59 1.97 0.00 -1.45 0.00 0.00 42.92 40.69 1ye0 s ASP 99 CO 0.11 -0.87 2.16 -0.65 0.13 0.00 0.00 175.17 176.05 1ye0 h PRO 100 N 7.24 0.00 -1.01 4.34 0.11 -1.97 -2.11 132.00 138.60 1ye0 h PRO 100 Ca -0.43 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.75 1ye0 h PRO 100 Cb 1.20 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.25 1ye0 h PRO 100 CO 0.93 0.00 0.65 1.49 -0.21 0.00 0.00 178.00 180.86 1ye0 h GLU 101 N 0.00 1.13 -0.75 1.05 4.57 -1.98 0.22 114.58 118.82 1ye0 h GLU 101 Ca 0.02 -0.07 0.20 0.00 -1.18 0.00 0.00 59.36 58.34 1ye0 h GLU 101 Cb 0.33 -0.25 -0.04 0.00 -0.16 0.00 0.00 28.75 28.63 1ye0 h GLU 101 CO -0.00 0.75 0.53 -0.91 -1.18 0.00 0.00 179.01 178.20 1ye0 h ASN 102 N 1.16 0.10 0.07 1.04 -0.26 -1.75 0.66 115.58 116.61 1ye0 h ASN 102 Ca 0.44 0.01 -0.05 0.00 -0.56 0.00 0.00 56.30 56.14 1ye0 h ASN 102 Cb 0.20 -0.01 -0.01 0.00 -1.06 0.00 0.00 38.32 37.44 1ye0 h ASN 102 CO -0.18 0.05 -0.15 -0.26 -1.06 0.00 0.00 177.43 175.82 1ye0 h PHE 103 N 0.10 0.18 -0.05 1.19 0.04 -0.72 -1.61 116.94 116.08 1ye0 h PHE 103 Ca 0.36 -0.02 -0.23 0.00 2.80 0.00 0.00 57.97 60.88 1ye0 h PHE 103 Cb 1.29 -0.05 0.01 0.00 2.20 0.00 0.00 35.95 39.39 1ye0 h PHE 103 CO -0.00 0.33 -0.90 0.00 -0.60 0.00 0.00 178.31 177.14 1ye0 h ARG 104 N 0.17 0.59 -0.15 1.51 3.08 0.34 -1.15 114.38 118.77 1ye0 h ARG 104 Ca 0.03 -0.57 -0.03 0.00 0.07 0.00 0.00 59.98 59.49 1ye0 h ARG 104 Cb 0.38 0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1ye0 h ARG 104 CO 0.02 1.19 -0.00 -0.07 -1.07 0.00 0.00 179.97 180.04 1ye0 h LEU 105 N 0.36 0.27 0.05 3.04 3.38 -1.21 -2.04 115.31 119.17 1ye0 h LEU 105 Ca -0.08 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.60 1ye0 h LEU 105 Cb 1.53 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 42.17 1ye0 h LEU 105 CO 0.17 0.52 -0.27 0.25 0.09 0.00 0.00 178.44 179.20 1ye0 h LEU 106 N 0.01 -0.79 -0.78 1.67 5.85 -1.24 -0.10 115.31 119.93 1ye0 h LEU 106 Ca 0.04 0.10 0.12 0.00 0.84 0.00 0.00 57.88 58.98 1ye0 h LEU 106 Cb 0.38 0.31 -0.13 0.00 0.37 0.00 0.00 40.66 41.59 1ye0 h LEU 106 CO 0.01 -0.35 -0.39 1.23 -0.34 0.00 0.00 178.44 178.60 1ye0 h GLY 107 N -0.44 -0.15 1.04 3.75 0.00 -0.99 0.19 103.07 106.46 1ye0 h GLY 107 Ca 0.05 0.52 -0.03 0.00 0.00 0.00 0.00 47.33 47.87 1ye0 h GLY 107 CO -0.20 -0.18 0.39 3.43 0.00 0.00 0.00 176.54 179.98 1ye0 h ASN 108 N -0.10 1.09 -0.45 0.19 2.35 -0.82 -1.49 115.58 116.36 1ye0 h ASN 108 Ca 0.26 -0.14 -0.05 0.00 -0.55 0.00 0.00 56.30 55.82 1ye0 h ASN 108 Cb 0.56 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 1ye0 h ASN 108 CO -0.83 0.93 0.11 0.58 -1.65 0.00 0.00 177.43 176.58 1ye0 h VAL 109 N 1.18 1.22 -0.46 2.81 2.07 0.11 -0.48 116.25 122.70 1ye0 h VAL 109 Ca 0.28 -0.80 -0.04 0.00 0.82 0.00 0.00 66.70 66.96 1ye0 h VAL 109 Cb 0.13 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.59 1ye0 h VAL 109 CO -0.03 0.30 0.11 0.25 0.02 0.00 0.00 177.57 178.22 1ye0 h LEU 110 N 0.75 0.70 -1.03 2.57 5.85 -0.24 0.21 115.31 124.12 1ye0 h LEU 110 Ca 0.17 -0.23 0.10 0.00 0.84 0.00 0.00 57.88 58.75 1ye0 h LEU 110 Cb 0.29 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.06 1ye0 h LEU 110 CO -0.00 0.75 0.63 0.58 -0.34 0.00 0.00 178.44 180.06 1ye0 h VAL 111 N 0.62 0.98 -0.35 1.05 2.07 -1.05 0.37 116.25 119.94 1ye0 h VAL 111 Ca 0.15 -0.36 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 1ye0 h VAL 111 Cb 0.32 -0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 29.92 1ye0 h VAL 111 CO 0.00 0.19 0.14 0.00 0.02 0.00 0.00 177.57 177.92 1ye0 h VAL 113 N 0.41 0.81 -0.76 0.00 2.07 0.44 -2.06 116.25 117.16 1ye0 h VAL 113 Ca 0.12 -0.12 0.16 0.00 0.82 0.00 0.00 66.70 67.67 1ye0 h VAL 113 Cb 0.19 0.88 -0.14 0.00 -1.52 0.00 0.00 31.29 30.70 1ye0 h VAL 113 CO -0.01 0.03 -0.13 -0.07 0.02 0.00 0.00 177.57 177.41 1ye0 h LEU 114 N -0.35 -0.60 -0.70 2.57 3.38 -0.96 0.12 115.31 118.76 1ye0 h LEU 114 Ca -0.03 0.22 0.03 0.00 0.09 0.00 0.00 57.88 58.19 1ye0 h LEU 114 Cb 0.27 0.44 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 1ye0 h LEU 114 CO 0.05 -0.24 0.44 0.00 0.09 0.00 0.00 178.44 178.78 1ye0 h ALA 115 N 1.75 0.91 -0.62 1.53 0.00 -0.97 -2.52 119.26 119.35 1ye0 h ALA 115 Ca 0.38 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.29 1ye0 h ALA 115 Cb 0.62 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1ye0 h ALA 115 CO -0.75 0.22 0.39 1.25 0.00 0.00 0.00 179.25 180.36 1ye0 h HIS 116 N 0.86 0.73 -0.10 0.00 -0.00 -0.09 -0.83 115.15 115.73 1ye0 h HIS 116 Ca 0.28 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.63 1ye0 h HIS 116 Cb 0.01 -0.24 -0.00 0.00 -0.00 0.00 0.00 27.41 27.17 1ye0 h HIS 116 CO -0.04 0.44 -0.09 0.45 -0.00 0.00 0.00 177.93 178.68 1ye0 h HIS 117 N 0.78 0.30 -0.01 5.26 -0.00 -1.28 -3.35 115.15 116.85 1ye0 h HIS 117 Ca 0.24 -0.09 0.00 0.00 -0.00 0.00 0.00 60.37 60.52 1ye0 h HIS 117 Cb -0.02 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 27.32 1ye0 h HIS 117 CO -0.04 0.66 -0.33 1.19 -0.00 0.00 0.00 177.93 179.41 1ye0 n PHE 118 N -4.65 0.00 -0.12 2.45 3.01 -0.97 -5.02 117.46 112.16 1ye0 n PHE 118 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.39 1ye0 n PHE 118 Cb 0.32 -0.11 0.00 0.00 -0.01 0.00 0.00 39.48 39.68 1ye0 n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ye0 n GLY 119 N 1.37 2.67 0.37 1.37 0.00 -0.32 -1.21 105.19 109.43 1ye0 n GLY 119 Ca 0.11 -0.04 0.17 0.00 0.00 0.00 0.00 46.02 46.26 1ye0 n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ye0 h LYS 120 N 0.00 0.00 0.00 1.61 3.11 -1.95 -1.22 116.57 118.12 1ye0 h LYS 120 Ca 0.00 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.82 1ye0 h LYS 120 Cb 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1ye0 h LYS 120 CO 0.00 0.00 -0.09 0.93 -2.81 0.00 0.00 179.45 177.48 1ye0 h GLU 121 N 0.00 0.00 -3.93 1.90 5.08 -1.55 -3.25 114.58 112.84 1ye0 h GLU 121 Ca 0.11 0.00 -0.73 0.00 -1.00 0.00 0.00 59.36 57.74 1ye0 h GLU 121 Cb 1.08 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.24 1ye0 h GLU 121 CO -0.00 0.09 2.68 0.34 -1.00 0.00 0.00 179.01 181.13 1ye0 n PHE 122 N -3.43 3.41 -1.54 4.33 7.35 -0.46 -4.94 117.46 122.18 1ye0 n PHE 122 Ca -0.01 -2.92 -0.32 0.00 -0.76 0.00 0.00 57.45 53.44 1ye0 n PHE 122 Cb 0.25 -2.35 0.07 0.00 0.35 0.00 0.00 39.48 37.80 1ye0 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1ye0 s THR 123 N 2.25 3.16 0.20 -2.13 -4.23 -1.23 -4.71 115.64 108.94 1ye0 s THR 123 Ca 0.45 0.48 -0.22 0.00 -1.18 0.00 0.00 61.69 61.21 1ye0 s THR 123 Cb 0.12 -2.98 0.12 0.00 1.34 0.00 0.00 72.50 71.10 1ye0 s THR 123 CO -0.05 -0.39 1.56 -0.65 -0.54 0.00 0.00 174.62 174.55 1ye0 h PRO 124 N -0.42 -0.08 -0.21 3.99 0.11 -1.93 0.36 132.00 133.82 1ye0 h PRO 124 Ca -0.46 0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.72 1ye0 h PRO 124 Cb 1.25 0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.37 1ye0 h PRO 124 CO 0.52 -0.05 0.17 -1.35 -0.21 0.00 0.00 178.00 177.08 1ye0 h PRO 125 N -0.08 0.00 -0.01 1.05 0.11 -1.99 -2.23 132.00 128.84 1ye0 h PRO 125 Ca 0.26 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 66.14 1ye0 h PRO 125 Cb 0.55 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.68 1ye0 h PRO 125 CO -0.86 0.00 -0.86 0.28 -0.21 0.00 0.00 178.00 176.35 1ye0 h VAL 126 N 0.00 1.33 -0.45 3.15 2.07 -0.64 -2.84 116.25 118.87 1ye0 h VAL 126 Ca 0.10 -2.16 0.05 0.00 0.82 0.00 0.00 66.70 65.51 1ye0 h VAL 126 Cb 0.44 2.42 -0.04 0.00 -1.52 0.00 0.00 31.29 32.59 1ye0 h VAL 126 CO -0.00 0.66 0.21 -0.61 0.02 0.00 0.00 177.57 177.84 1ye0 h GLN 127 N 0.23 0.40 -0.82 1.57 4.15 -0.88 -2.03 115.11 117.73 1ye0 h GLN 127 Ca -0.10 -0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.35 1ye0 h GLN 127 Cb 1.53 -0.09 -0.06 0.00 0.21 0.00 0.00 27.48 29.07 1ye0 h GLN 127 CO 0.17 0.26 0.50 0.00 -1.93 0.00 0.00 178.83 177.84 1ye0 h ALA 128 N 1.26 1.13 -0.67 3.38 0.00 -1.34 0.84 119.26 123.86 1ye0 h ALA 128 Ca 0.20 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1ye0 h ALA 128 Cb 0.14 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1ye0 h ALA 128 CO -0.17 0.23 0.22 0.00 0.00 0.00 0.00 179.25 179.54 1ye0 h ALA 129 N 1.39 1.12 -0.46 0.00 0.00 -1.22 -2.93 119.26 117.15 1ye0 h ALA 129 Ca 0.36 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1ye0 h ALA 129 Cb 0.17 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1ye0 h ALA 129 CO -0.17 0.61 -0.02 1.88 0.00 0.00 0.00 179.25 181.55 1ye0 h TYR 130 N 0.99 0.91 -0.84 0.00 0.05 0.11 -2.03 116.97 116.16 1ye0 h TYR 130 Ca 0.22 -0.17 0.12 0.00 0.05 0.00 0.00 58.73 58.96 1ye0 h TYR 130 Cb 0.27 -0.23 -0.06 0.00 1.01 0.00 0.00 36.73 37.71 1ye0 h TYR 130 CO 0.02 0.88 0.55 1.96 -1.05 0.00 0.00 178.16 180.52 1ye0 h GLN 131 N 0.68 0.69 -0.09 4.88 1.08 0.11 0.11 115.11 122.56 1ye0 h GLN 131 Ca 0.13 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.28 1ye0 h GLN 131 Cb 0.53 -0.16 -0.00 0.00 -0.05 0.00 0.00 27.48 27.80 1ye0 h GLN 131 CO 0.03 0.46 0.01 0.87 -0.95 0.00 0.00 178.83 179.25 1ye0 h LYS 132 N 0.71 0.16 -0.50 1.46 1.57 -1.25 -1.91 116.57 116.82 1ye0 h LYS 132 Ca 0.41 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.13 1ye0 h LYS 132 Cb 0.59 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 1ye0 h LYS 132 CO -0.17 0.37 0.25 0.28 -0.57 0.00 0.00 179.45 179.61 1ye0 h VAL 133 N -0.08 1.19 -0.13 0.50 2.07 -0.49 0.40 116.25 119.71 1ye0 h VAL 133 Ca 0.03 -0.52 -0.06 0.00 0.82 0.00 0.00 66.70 66.97 1ye0 h VAL 133 Cb 0.29 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1ye0 h VAL 133 CO 0.00 0.21 -0.21 -0.37 0.02 0.00 0.00 177.57 177.22 1ye0 h VAL 134 N 0.66 1.21 -0.02 2.57 -1.51 -1.07 0.82 116.25 118.91 1ye0 h VAL 134 Ca 0.17 -0.98 -0.00 0.00 -1.23 0.00 0.00 66.70 64.66 1ye0 h VAL 134 Cb 0.10 1.36 -0.00 0.00 -2.13 0.00 0.00 31.29 30.62 1ye0 h VAL 134 CO -0.02 0.30 0.01 0.00 -1.23 0.00 0.00 177.57 176.62 1ye0 h ALA 135 N 1.59 0.02 -0.47 5.19 0.00 -0.43 -1.59 119.26 123.57 1ye0 h ALA 135 Ca 0.04 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 54.94 1ye0 h ALA 135 Cb 0.49 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.18 1ye0 h ALA 135 CO 0.03 -0.38 -0.21 0.78 0.00 0.00 0.00 179.25 179.47 1ye0 h GLY 136 N -0.16 0.12 1.46 0.00 0.00 0.38 -0.54 103.07 104.33 1ye0 h GLY 136 Ca 0.01 0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 1ye0 h GLY 136 CO -0.00 -0.21 0.26 -2.08 0.00 0.00 0.00 176.54 174.51 1ye0 h VAL 137 N -0.11 1.17 -0.22 4.60 2.07 -0.74 -0.43 116.25 122.60 1ye0 h VAL 137 Ca 0.22 -0.46 -0.15 0.00 0.82 0.00 0.00 66.70 67.13 1ye0 h VAL 137 Cb 0.46 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1ye0 h VAL 137 CO -0.54 0.19 -0.45 0.00 0.02 0.00 0.00 177.57 176.79 1ye0 h ALA 138 N 1.57 0.35 -0.93 1.67 0.00 -0.23 0.82 119.26 122.50 1ye0 h ALA 138 Ca 0.18 -0.47 0.04 0.00 0.00 0.00 0.00 54.91 54.66 1ye0 h ALA 138 Cb 0.06 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.74 1ye0 h ALA 138 CO -0.03 0.49 0.60 -0.91 0.00 0.00 0.00 179.25 179.40 1ye0 h ASN 139 N 0.39 1.00 0.01 0.00 -0.26 -0.72 -0.72 115.58 115.28 1ye0 h ASN 139 Ca 0.00 -0.00 -0.11 0.00 -0.56 0.00 0.00 56.30 55.63 1ye0 h ASN 139 Cb 1.06 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 38.08 1ye0 h ASN 139 CO 0.10 0.67 -0.32 0.00 -1.06 0.00 0.00 177.43 176.82 1ye0 h ALA 140 N 1.39 1.04 0.00 -0.83 0.00 -0.54 -0.50 119.26 119.83 1ye0 h ALA 140 Ca 0.38 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1ye0 h ALA 140 Cb 0.04 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1ye0 h ALA 140 CO -0.13 0.58 -0.37 -0.07 0.00 0.00 0.00 179.25 179.26 1ye0 h LEU 141 N 0.39 0.00 0.00 0.00 3.38 -0.57 -3.17 115.31 115.33 1ye0 h LEU 141 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1ye0 h LEU 141 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1ye0 h LEU 141 CO 0.06 0.37 -0.20 0.00 0.09 0.00 0.00 178.44 178.76 1ye0 n ALA 142 N -2.27 2.64 -0.09 1.53 0.00 -0.29 -4.49 120.51 117.54 1ye0 n ALA 142 Ca 0.00 -0.15 -0.10 0.00 0.00 0.00 0.00 53.44 53.19 1ye0 n ALA 142 Cb 0.53 -1.36 0.04 0.00 0.00 0.00 0.00 19.45 18.67 1ye0 n ALA 142 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1ye0 h HIS 143 N 0.00 0.96 -0.22 0.00 2.07 -1.26 -2.79 115.15 113.91 1ye0 h HIS 143 Ca 0.00 -0.26 0.00 0.00 -2.85 0.00 0.00 60.37 57.26 1ye0 h HIS 143 Cb 0.60 -0.21 0.00 0.00 2.57 0.00 0.00 27.41 30.37 1ye0 h HIS 143 CO 0.00 1.03 0.00 1.63 -3.07 0.00 0.00 177.93 177.52 1ye0 n LYS 144 N -4.07 1.55 -2.15 5.12 4.76 -1.26 -4.89 118.16 117.22 1ye0 n LYS 144 Ca -0.01 -0.85 -0.41 0.00 -2.87 0.00 0.00 58.31 54.17 1ye0 n LYS 144 Cb 0.50 -1.23 -0.02 0.00 -1.84 0.00 0.00 35.03 32.44 1ye0 n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1ye0 s TYR 145 N -1.71 3.10 0.00 2.13 2.02 -1.06 -4.78 117.35 117.05 1ye0 s TYR 145 Ca 0.19 1.44 0.00 0.00 -0.37 0.00 0.00 57.07 58.33 1ye0 s TYR 145 Cb 0.10 -3.64 0.00 0.00 -0.40 0.00 0.00 41.96 38.02 1ye0 s TYR 145 CO 0.14 -1.74 0.00 -2.39 -1.57 0.00 0.00 175.55 169.99