#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jy7 n HIS 2 N 0.00 0.00 -1.70 6.34 -0.00 -1.26 -5.12 115.22 113.47 1jy7 n HIS 2 Ca 0.00 0.00 -0.57 0.00 0.46 0.00 0.00 57.72 57.61 1jy7 n HIS 2 Cb 0.00 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 29.80 1jy7 n HIS 2 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1jy7 n LEU 3 N 0.00 2.35 -4.86 0.27 4.77 -1.26 -4.93 117.00 113.34 1jy7 n LEU 3 Ca 0.00 1.08 -0.32 0.00 -0.03 0.00 0.00 56.01 56.73 1jy7 n LEU 3 Cb 0.00 -1.15 -0.06 0.00 -2.33 0.00 0.00 43.42 39.89 1jy7 n LEU 3 CO 0.00 -0.47 0.33 0.42 -1.33 0.00 0.00 177.39 176.34 1jy7 s THR 4 N 3.34 4.79 0.00 -5.08 -4.23 -1.26 -4.61 115.64 108.59 1jy7 s THR 4 Ca 0.97 0.75 0.00 0.00 -1.18 0.00 0.00 61.69 62.23 1jy7 s THR 4 Cb -1.06 -3.62 0.00 0.00 1.34 0.00 0.00 72.50 69.16 1jy7 s THR 4 CO 0.64 -0.11 0.00 -2.65 -0.54 0.00 0.00 174.62 171.96 1jy7 n PRO 5 N -0.19 0.00 0.10 3.99 -0.02 -1.26 0.23 135.00 137.84 1jy7 n PRO 5 Ca 0.02 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.37 1jy7 n PRO 5 Cb 0.53 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.93 1jy7 n PRO 5 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1jy7 h GLU 6 N 0.00 -0.16 -0.10 -0.52 9.09 -1.99 -1.70 114.58 119.21 1jy7 h GLU 6 Ca 0.00 0.01 0.04 0.00 0.05 0.00 0.00 59.36 59.46 1jy7 h GLU 6 Cb 0.00 0.04 -0.06 0.00 -1.65 0.00 0.00 28.75 27.08 1jy7 h GLU 6 CO 0.00 -0.09 -0.29 0.93 0.05 0.00 0.00 179.01 179.61 1jy7 h GLU 7 N -0.19 -0.36 -0.88 1.06 5.08 -0.59 1.84 114.58 120.53 1jy7 h GLU 7 Ca -0.02 0.02 0.15 0.00 -1.00 0.00 0.00 59.36 58.52 1jy7 h GLU 7 Cb 0.15 0.08 -0.15 0.00 0.50 0.00 0.00 28.75 29.33 1jy7 h GLU 7 CO 0.03 -0.24 -0.34 -0.22 -1.00 0.00 0.00 179.01 177.24 1jy7 h LYS 8 N -0.38 -0.04 0.04 2.33 1.63 -0.68 0.13 116.57 119.60 1jy7 h LYS 8 Ca 0.09 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.78 1jy7 h LYS 8 Cb 0.51 0.01 0.01 0.00 -0.60 0.00 0.00 32.23 32.16 1jy7 h LYS 8 CO -0.31 -0.02 -0.45 0.66 -3.45 0.00 0.00 179.45 175.87 1jy7 h SER 9 N -0.04 0.33 -0.75 4.20 4.64 -0.39 -3.22 113.55 118.32 1jy7 h SER 9 Ca 0.34 -0.85 0.16 0.00 -0.47 0.00 0.00 61.79 60.98 1jy7 h SER 9 Cb 0.60 -0.10 -0.11 0.00 -0.31 0.00 0.00 62.40 62.48 1jy7 h SER 9 CO -0.90 1.14 0.21 0.00 -0.87 0.00 0.00 176.83 176.41 1jy7 h ALA 10 N 0.20 1.01 -0.08 5.18 0.00 0.36 0.71 119.26 126.64 1jy7 h ALA 10 Ca -0.07 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1jy7 h ALA 10 Cb 1.24 0.20 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 1jy7 h ALA 10 CO 0.09 -0.32 0.05 0.28 0.00 0.00 0.00 179.25 179.35 1jy7 h VAL 11 N 0.30 1.04 0.00 0.00 2.07 -0.89 -2.38 116.25 116.40 1jy7 h VAL 11 Ca 0.43 -0.09 -0.07 0.00 0.82 0.00 0.00 66.70 67.79 1jy7 h VAL 11 Cb 0.73 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1jy7 h VAL 11 CO -0.50 0.03 -0.33 0.71 0.02 0.00 0.00 177.57 177.51 1jy7 h THR 12 N 0.09 1.13 0.33 2.57 1.35 -1.14 -2.96 112.91 114.28 1jy7 h THR 12 Ca 0.03 -1.17 0.00 0.00 -0.55 0.00 0.00 66.41 64.72 1jy7 h THR 12 Cb 0.01 1.65 -0.03 0.00 -1.73 0.00 0.00 68.15 68.05 1jy7 h THR 12 CO -0.01 0.32 -0.46 0.00 -0.25 0.00 0.00 175.52 175.13 1jy7 h ALA 13 N 1.67 -0.95 0.25 6.62 0.00 0.90 -3.00 119.26 124.75 1jy7 h ALA 13 Ca -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1jy7 h ALA 13 Cb 0.62 0.71 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1jy7 h ALA 13 CO 0.04 -1.09 -0.12 -0.07 0.00 0.00 0.00 179.25 178.02 1jy7 h LEU 14 N -0.84 -0.28 -1.39 0.00 3.38 -1.55 -3.15 115.31 111.48 1jy7 h LEU 14 Ca -0.03 -0.09 0.40 0.00 0.09 0.00 0.00 57.88 58.26 1jy7 h LEU 14 Cb 0.78 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.54 1jy7 h LEU 14 CO -0.14 -0.08 1.27 1.87 0.09 0.00 0.00 178.44 181.45 1jy7 n TRP 15 N -5.17 0.00 0.07 1.13 -0.00 -1.12 0.13 117.44 112.48 1jy7 n TRP 15 Ca -0.09 0.00 -0.14 0.00 -0.00 0.00 0.00 57.50 57.27 1jy7 n TRP 15 Cb 0.20 -0.35 -0.05 0.00 -0.00 0.00 0.00 31.31 31.11 1jy7 n TRP 15 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 1jy7 h GLY 16 N 0.00 0.47 -0.66 5.87 0.00 -1.48 -3.12 103.07 104.15 1jy7 h GLY 16 Ca 0.66 -0.82 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1jy7 h GLY 16 CO -0.01 0.73 0.00 0.28 0.00 0.00 0.00 176.54 177.54 1jy7 n LYS 17 N -3.75 1.33 -2.97 4.80 5.02 0.35 -4.83 118.16 118.11 1jy7 n LYS 17 Ca -0.07 -0.40 -0.42 0.00 -2.02 0.00 0.00 58.31 55.40 1jy7 n LYS 17 Cb 0.84 -1.23 -0.05 0.00 -0.02 0.00 0.00 35.03 34.57 1jy7 n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1jy7 s VAL 18 N -1.69 4.74 -0.57 -0.18 1.01 -1.17 -4.99 120.40 117.55 1jy7 s VAL 18 Ca 0.07 0.77 -0.26 0.00 0.00 0.00 0.00 61.98 62.56 1jy7 s VAL 18 Cb 0.04 -4.22 -0.05 0.00 0.00 0.00 0.00 36.38 32.16 1jy7 s VAL 18 CO 0.04 -0.47 2.16 0.21 0.00 0.00 0.00 175.10 177.04 1jy7 s ASN 19 N 1.89 4.78 0.54 3.32 3.84 -1.26 -4.83 114.94 123.22 1jy7 s ASN 19 Ca 0.30 0.65 0.22 0.00 0.21 0.00 0.00 52.86 54.24 1jy7 s ASN 19 Cb -0.13 -2.52 1.40 0.00 -0.55 0.00 0.00 41.25 39.45 1jy7 s ASN 19 CO 0.18 -2.72 2.08 1.62 -2.79 0.00 0.00 177.10 175.47 1jy7 h VAL 20 N 7.34 0.80 -0.39 -5.21 3.04 -1.95 -2.36 116.25 117.52 1jy7 h VAL 20 Ca -0.22 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.47 1jy7 h VAL 20 Cb 1.20 0.86 0.00 0.00 -2.01 0.00 0.00 31.29 31.34 1jy7 h VAL 20 CO 1.18 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 178.21 1jy7 n ASP 21 N -4.34 2.65 0.02 3.17 8.00 -1.26 -4.20 116.55 120.59 1jy7 n ASP 21 Ca 0.03 -2.16 0.00 0.00 0.71 0.00 0.00 54.79 53.37 1jy7 n ASP 21 Cb 0.34 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 1jy7 n ASP 21 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1jy7 n GLU 22 N 0.60 0.00 -0.28 -1.24 -0.58 -0.90 -4.79 120.64 113.45 1jy7 n GLU 22 Ca 0.14 0.00 0.10 0.00 -0.42 0.00 0.00 57.16 56.98 1jy7 n GLU 22 Cb 0.48 -0.18 0.24 0.00 -0.57 0.00 0.00 31.44 31.41 1jy7 n GLU 22 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1jy7 h VAL 23 N 0.00 0.34 -0.12 2.62 2.07 -1.75 -1.06 116.25 118.35 1jy7 h VAL 23 Ca 0.00 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.48 1jy7 h VAL 23 Cb 0.00 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 29.88 1jy7 h VAL 23 CO 0.00 0.03 -0.06 1.23 0.02 0.00 0.00 177.57 178.80 1jy7 h GLY 24 N 0.19 0.05 1.75 2.17 0.00 -1.78 -0.97 103.07 104.49 1jy7 h GLY 24 Ca 0.50 0.07 -0.14 0.00 0.00 0.00 0.00 47.33 47.77 1jy7 h GLY 24 CO -0.65 -0.07 -0.55 -1.33 0.00 0.00 0.00 176.54 173.94 1jy7 h GLY 25 N -0.05 0.28 1.31 4.60 0.00 -1.57 -2.69 103.07 104.95 1jy7 h GLY 25 Ca 0.07 -0.33 -0.14 0.00 0.00 0.00 0.00 47.33 46.93 1jy7 h GLY 25 CO -0.15 0.29 -0.34 -2.09 0.00 0.00 0.00 176.54 174.26 1jy7 h GLU 26 N 0.20 0.77 -0.15 4.80 4.81 -0.95 -1.11 114.58 122.95 1jy7 h GLU 26 Ca 0.00 -0.37 -0.10 0.00 -0.13 0.00 0.00 59.36 58.76 1jy7 h GLU 26 Cb 1.03 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.41 1jy7 h GLU 26 CO 0.09 0.99 -0.29 0.00 -0.73 0.00 0.00 179.01 179.07 1jy7 h ALA 27 N 0.97 0.24 -0.25 2.92 0.00 -1.18 -1.92 119.26 120.04 1jy7 h ALA 27 Ca 0.07 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1jy7 h ALA 27 Cb 0.88 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 1jy7 h ALA 27 CO 0.08 0.26 -0.00 1.25 0.00 0.00 0.00 179.25 180.83 1jy7 h LEU 28 N 0.09 0.34 0.21 0.00 7.12 -1.48 -2.67 115.31 118.92 1jy7 h LEU 28 Ca 0.01 -0.05 -0.01 0.00 0.13 0.00 0.00 57.88 57.95 1jy7 h LEU 28 Cb 0.88 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 40.93 1jy7 h LEU 28 CO 0.07 0.41 -0.10 1.23 -0.13 0.00 0.00 178.44 179.92 1jy7 h GLY 29 N 0.69 -0.29 0.72 3.75 0.00 -1.10 -3.22 103.07 103.63 1jy7 h GLY 29 Ca 0.08 0.11 0.13 0.00 0.00 0.00 0.00 47.33 47.65 1jy7 h GLY 29 CO 0.01 -0.10 0.51 3.21 0.00 0.00 0.00 176.54 180.17 1jy7 h ARG 30 N -0.79 0.55 -0.48 4.80 3.08 -1.29 -1.19 114.38 119.05 1jy7 h ARG 30 Ca -0.03 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.02 1jy7 h ARG 30 Cb 0.51 -0.12 -0.04 0.00 0.08 0.00 0.00 29.97 30.40 1jy7 h ARG 30 CO 0.05 0.36 0.26 1.25 -1.07 0.00 0.00 179.97 180.82 1jy7 h LEU 31 N 0.56 0.39 -1.52 3.04 5.85 -1.53 0.10 115.31 122.21 1jy7 h LEU 31 Ca 0.38 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 59.07 1jy7 h LEU 31 Cb 0.68 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 1jy7 h LEU 31 CO -0.14 0.28 -0.20 -0.07 -0.34 0.00 0.00 178.44 177.96 1jy7 h LEU 32 N 0.51 0.00 0.01 2.25 3.38 -1.24 -1.23 115.31 118.99 1jy7 h LEU 32 Ca 0.20 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.07 1jy7 h LEU 32 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1jy7 h LEU 32 CO -0.12 0.20 -0.54 0.58 0.09 0.00 0.00 178.44 178.65 1jy7 h VAL 33 N 0.00 1.43 -0.10 1.22 2.07 -0.99 -3.32 116.25 116.55 1jy7 h VAL 33 Ca -0.00 -2.29 -0.17 0.00 0.82 0.00 0.00 66.70 65.06 1jy7 h VAL 33 Cb 0.54 2.92 -0.01 0.00 -1.52 0.00 0.00 31.29 33.22 1jy7 h VAL 33 CO 0.03 0.50 -0.65 0.58 0.02 0.00 0.00 177.57 178.04 1jy7 h VAL 34 N -0.97 1.36 -2.80 2.57 2.07 -0.86 -3.37 116.25 114.25 1jy7 h VAL 34 Ca -0.15 -2.01 -0.61 0.00 0.82 0.00 0.00 66.70 64.75 1jy7 h VAL 34 Cb 1.15 1.99 -0.41 0.00 -1.52 0.00 0.00 31.29 32.50 1jy7 h VAL 34 CO -0.08 0.61 -0.66 -1.22 0.02 0.00 0.00 177.57 176.24 1jy7 n TYR 35 N -3.88 2.48 -0.33 1.57 4.01 -0.47 -4.99 117.16 115.55 1jy7 n TYR 35 Ca -0.04 -4.10 0.29 0.00 -0.16 0.00 0.00 57.90 53.90 1jy7 n TYR 35 Cb 0.66 -0.46 0.54 0.00 -0.31 0.00 0.00 39.34 39.78 1jy7 n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1jy7 h PRO 36 N 5.21 0.11 0.00 -0.72 0.11 -1.74 -2.13 132.00 132.84 1jy7 h PRO 36 Ca 0.17 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.28 1jy7 h PRO 36 Cb 0.77 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.85 1jy7 h PRO 36 CO 0.67 0.07 0.00 -2.67 -0.21 0.00 0.00 178.00 175.86 1jy7 n TRP 37 N -5.19 0.38 1.34 0.65 2.14 -1.26 -1.09 117.44 114.40 1jy7 n TRP 37 Ca 0.36 0.19 0.14 0.00 2.07 0.00 0.00 57.50 60.26 1jy7 n TRP 37 Cb 1.17 -0.81 0.65 0.00 -0.81 0.00 0.00 31.31 31.52 1jy7 n TRP 37 CO 0.00 0.00 0.00 0.25 2.07 0.00 0.00 177.69 180.01 1jy7 n THR 38 N -1.88 0.00 0.16 -1.67 -2.24 -0.80 -3.24 114.28 104.60 1jy7 n THR 38 Ca -0.00 -0.02 0.01 0.00 -2.27 0.00 0.00 64.05 61.77 1jy7 n THR 38 Cb 0.03 -0.29 0.23 0.00 -2.10 0.00 0.00 70.33 68.20 1jy7 n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1jy7 h GLN 39 N 0.22 0.00 -1.14 -0.78 4.20 -1.33 -3.08 115.11 113.20 1jy7 h GLN 39 Ca 0.00 0.00 0.32 0.00 0.06 0.00 0.00 58.65 59.03 1jy7 h GLN 39 Cb 0.36 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.05 1jy7 h GLN 39 CO 0.00 0.53 0.76 -0.09 -0.67 0.00 0.00 178.83 179.36 1jy7 h ARG 40 N 0.00 0.22 0.00 1.46 2.43 -1.75 0.17 114.38 116.92 1jy7 h ARG 40 Ca -0.01 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 1jy7 h ARG 40 Cb 1.03 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 1jy7 h ARG 40 CO 0.07 0.15 0.00 0.74 -1.51 0.00 0.00 179.97 179.42 1jy7 h PHE 41 N 0.23 0.00 -2.10 2.20 -1.00 -1.79 -3.36 116.94 111.12 1jy7 h PHE 41 Ca 0.62 0.00 -0.59 0.00 2.81 0.00 0.00 57.97 60.81 1jy7 h PHE 41 Cb 1.91 0.00 -0.42 0.00 3.61 0.00 0.00 35.95 41.05 1jy7 h PHE 41 CO -0.00 0.00 -0.66 1.19 -1.61 0.00 0.00 178.31 177.23 1jy7 n PHE 42 N -2.91 3.91 0.03 -0.55 3.01 0.60 -4.83 117.46 116.71 1jy7 n PHE 42 Ca 0.04 -3.78 -0.13 0.00 1.01 0.00 0.00 57.45 54.59 1jy7 n PHE 42 Cb 0.48 -0.39 -0.09 0.00 -0.01 0.00 0.00 39.48 39.47 1jy7 n PHE 42 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1jy7 h GLU 43 N 2.88 -0.05 -0.13 -1.08 5.08 -1.73 -3.17 114.58 116.39 1jy7 h GLU 43 Ca 0.17 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.57 1jy7 h GLU 43 Cb 0.60 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1jy7 h GLU 43 CO 0.83 0.26 0.56 0.66 -1.00 0.00 0.00 179.01 180.31 1jy7 h SER 44 N -0.36 0.00 0.79 1.42 4.64 -1.94 -1.39 113.55 116.72 1jy7 h SER 44 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1jy7 h SER 44 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1jy7 h SER 44 CO 0.01 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.46 1jy7 n PHE 45 N -2.95 0.35 0.00 4.77 0.99 -1.20 -5.00 117.46 114.42 1jy7 n PHE 45 Ca 0.01 0.13 0.00 0.00 -0.00 0.00 0.00 57.45 57.59 1jy7 n PHE 45 Cb 0.63 -0.70 0.00 0.00 -1.00 0.00 0.00 39.48 38.40 1jy7 n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1jy7 n GLY 46 N 0.46 0.87 3.65 1.37 0.00 -0.53 -4.89 105.19 106.12 1jy7 n GLY 46 Ca 0.04 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 1jy7 n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1jy7 s ASP 47 N -4.00 6.94 -0.13 1.61 3.68 -1.26 -4.88 116.67 118.63 1jy7 s ASP 47 Ca 0.00 1.16 0.23 0.00 2.13 0.00 0.00 52.55 56.07 1jy7 s ASP 47 Cb 0.00 -2.48 0.46 0.00 -1.45 0.00 0.00 42.92 39.45 1jy7 s ASP 47 CO 0.00 -0.59 1.15 0.18 0.13 0.00 0.00 175.17 176.04 1jy7 n LEU 48 N 6.15 1.51 0.18 -1.34 4.77 -1.26 -4.31 117.00 122.71 1jy7 n LEU 48 Ca 0.08 -2.64 -0.08 0.00 -0.03 0.00 0.00 56.01 53.34 1jy7 n LEU 48 Cb 0.47 0.13 -0.04 0.00 -2.33 0.00 0.00 43.42 41.65 1jy7 n LEU 48 CO 0.49 0.84 0.22 -1.28 -1.33 0.00 0.00 177.39 176.33 1jy7 h SER 49 N 1.67 -0.45 -2.92 -1.43 0.87 -1.93 -3.46 113.55 105.90 1jy7 h SER 49 Ca -0.15 0.02 -0.62 0.00 -1.23 0.00 0.00 61.79 59.80 1jy7 h SER 49 Cb 1.59 0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 63.62 1jy7 h SER 49 CO 0.16 -0.04 -0.47 0.42 -0.53 0.00 0.00 176.83 176.37 1jy7 s THR 50 N -3.30 5.37 0.58 2.23 -4.23 -1.26 -4.99 115.64 110.04 1jy7 s THR 50 Ca -0.08 -0.27 0.29 0.00 -1.18 0.00 0.00 61.69 60.45 1jy7 s THR 50 Cb 0.01 -3.61 0.40 0.00 1.34 0.00 0.00 72.50 70.64 1jy7 s THR 50 CO 0.23 0.17 1.89 1.55 -0.54 0.00 0.00 174.62 177.92 1jy7 h PRO 51 N 3.22 0.00 0.05 3.99 0.13 -2.00 0.28 132.00 137.67 1jy7 h PRO 51 Ca -0.46 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.42 1jy7 h PRO 51 Cb 1.17 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.31 1jy7 h PRO 51 CO 0.74 0.00 -1.07 -0.44 -0.23 0.00 0.00 178.00 177.00 1jy7 h ASP 52 N 0.00 0.63 -0.85 1.44 3.32 -1.98 -2.26 116.42 116.72 1jy7 h ASP 52 Ca 0.26 -0.54 0.02 0.00 0.02 0.00 0.00 57.03 56.79 1jy7 h ASP 52 Cb 1.32 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.63 1jy7 h ASP 52 CO -0.00 1.36 0.56 0.00 -1.72 0.00 0.00 179.24 179.44 1jy7 h ALA 53 N 0.59 1.09 0.78 3.45 0.00 -0.79 0.14 119.26 124.52 1jy7 h ALA 53 Ca -0.12 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.70 1jy7 h ALA 53 Cb 1.73 -0.33 0.01 0.00 0.00 0.00 0.00 17.79 19.19 1jy7 h ALA 53 CO 0.19 0.46 -0.37 0.28 0.00 0.00 0.00 179.25 179.80 1jy7 h VAL 54 N 1.13 0.06 -0.01 0.00 2.07 -1.36 -3.05 116.25 115.09 1jy7 h VAL 54 Ca 0.32 -0.21 0.00 0.00 0.82 0.00 0.00 66.70 67.64 1jy7 h VAL 54 Cb -0.09 0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 29.76 1jy7 h VAL 54 CO -0.08 0.01 0.04 0.24 0.02 0.00 0.00 177.57 177.80 1jy7 h MET 55 N -1.24 0.00 -0.89 1.57 2.07 -1.24 -2.22 114.93 112.98 1jy7 h MET 55 Ca -0.11 0.00 -0.62 0.00 -2.07 0.00 0.00 59.70 56.90 1jy7 h MET 55 Cb 0.81 0.00 -0.35 0.00 -1.87 0.00 0.00 31.60 30.19 1jy7 h MET 55 CO 0.18 0.00 0.12 0.41 1.07 0.00 0.00 176.91 178.69 1jy7 n GLY 56 N -1.17 6.10 3.20 8.32 0.00 0.49 -4.94 105.19 117.19 1jy7 n GLY 56 Ca -0.03 -2.46 -0.34 0.00 0.00 0.00 0.00 46.02 43.19 1jy7 n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1jy7 s ASN 57 N -2.61 4.38 0.26 1.61 3.84 -0.84 -4.93 114.94 116.64 1jy7 s ASN 57 Ca 0.59 -0.92 -0.02 0.00 0.21 0.00 0.00 52.86 52.72 1jy7 s ASN 57 Cb 0.47 -1.67 0.50 0.00 -0.55 0.00 0.00 41.25 40.00 1jy7 s ASN 57 CO 0.01 -0.14 1.77 -0.65 -2.79 0.00 0.00 177.10 175.30 1jy7 h PRO 58 N 8.01 0.63 -0.49 0.43 0.11 -1.92 -1.65 132.00 137.11 1jy7 h PRO 58 Ca -0.31 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.65 1jy7 h PRO 58 Cb 1.10 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 1jy7 h PRO 58 CO 0.57 0.41 -0.11 0.87 -0.21 0.00 0.00 178.00 179.53 1jy7 h LYS 59 N 0.64 0.95 0.64 1.05 1.57 -1.94 0.53 116.57 120.01 1jy7 h LYS 59 Ca 0.45 -0.36 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1jy7 h LYS 59 Cb 0.60 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1jy7 h LYS 59 CO -0.34 1.02 -0.47 0.28 -0.57 0.00 0.00 179.45 179.37 1jy7 h VAL 60 N 0.80 0.00 0.00 0.50 2.07 -1.67 0.33 116.25 118.29 1jy7 h VAL 60 Ca 0.13 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.64 1jy7 h VAL 60 Cb 0.67 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1jy7 h VAL 60 CO 0.05 0.00 -0.02 0.07 0.02 0.00 0.00 177.57 177.69 1jy7 h LYS 61 N -1.07 0.00 -0.03 1.57 2.10 -1.41 0.35 116.57 118.08 1jy7 h LYS 61 Ca -0.08 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.34 1jy7 h LYS 61 Cb 0.88 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.22 1jy7 h LYS 61 CO 0.03 0.02 -0.91 0.00 -2.00 0.00 0.00 179.45 176.59 1jy7 h ALA 62 N 1.98 0.36 0.07 0.07 0.00 -0.58 -2.93 119.26 118.23 1jy7 h ALA 62 Ca -0.00 -0.68 -0.27 0.00 0.00 0.00 0.00 54.91 53.96 1jy7 h ALA 62 Cb 0.45 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.24 1jy7 h ALA 62 CO 0.00 0.77 -1.13 1.25 0.00 0.00 0.00 179.25 180.15 1jy7 h HIS 63 N 0.30 0.77 -0.39 0.00 -0.00 -0.50 -3.21 115.15 112.11 1jy7 h HIS 63 Ca -0.08 -0.47 0.07 0.00 -0.00 0.00 0.00 60.37 59.90 1jy7 h HIS 63 Cb 1.54 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 28.86 1jy7 h HIS 63 CO 0.07 1.32 0.27 0.78 -0.00 0.00 0.00 177.93 180.36 1jy7 h GLY 64 N 0.91 0.27 2.00 5.26 0.00 -0.96 0.26 103.07 110.81 1jy7 h GLY 64 Ca -0.14 -0.08 -0.05 0.00 0.00 0.00 0.00 47.33 47.06 1jy7 h GLY 64 CO 0.20 0.06 -0.23 1.70 0.00 0.00 0.00 176.54 178.28 1jy7 h LYS 65 N 0.21 0.00 0.00 4.80 3.64 -1.51 -2.16 116.57 121.55 1jy7 h LYS 65 Ca 0.18 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.40 1jy7 h LYS 65 Cb 0.44 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1jy7 h LYS 65 CO -0.03 0.23 -0.74 0.87 -2.27 0.00 0.00 179.45 177.50 1jy7 h LYS 66 N 0.00 0.00 -0.23 1.90 1.57 -0.59 -3.04 116.57 116.17 1jy7 h LYS 66 Ca -0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 1jy7 h LYS 66 Cb 0.41 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 1jy7 h LYS 66 CO 0.03 0.74 -0.21 0.28 -0.57 0.00 0.00 179.45 179.72 1jy7 h VAL 67 N 0.00 1.32 0.00 0.50 2.07 -1.07 -2.73 116.25 116.34 1jy7 h VAL 67 Ca -0.01 -1.36 -0.05 0.00 0.82 0.00 0.00 66.70 66.10 1jy7 h VAL 67 Cb 1.33 1.68 -0.01 0.00 -1.52 0.00 0.00 31.29 32.77 1jy7 h VAL 67 CO 0.10 0.42 -0.23 -0.07 0.02 0.00 0.00 177.57 177.81 1jy7 h LEU 68 N 0.25 0.00 -1.12 2.57 3.38 -1.58 -1.44 115.31 117.38 1jy7 h LEU 68 Ca 0.04 0.00 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1jy7 h LEU 68 Cb 0.76 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.46 1jy7 h LEU 68 CO 0.05 0.23 0.60 1.23 0.09 0.00 0.00 178.44 180.64 1jy7 h GLY 69 N 0.90 1.29 1.67 0.83 0.00 -1.37 0.14 103.07 106.54 1jy7 h GLY 69 Ca -0.00 -0.46 -0.08 0.00 0.00 0.00 0.00 47.33 46.79 1jy7 h GLY 69 CO 0.03 0.43 -0.21 0.00 0.00 0.00 0.00 176.54 176.79 1jy7 h ALA 70 N 1.45 1.24 0.08 3.60 0.00 -1.07 -1.61 119.26 122.95 1jy7 h ALA 70 Ca 0.35 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1jy7 h ALA 70 Cb -0.07 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1jy7 h ALA 70 CO -0.09 0.50 -0.04 0.74 0.00 0.00 0.00 179.25 180.36 1jy7 h PHE 71 N 0.35 -0.10 -1.03 0.00 -1.00 -0.96 -1.21 116.94 112.99 1jy7 h PHE 71 Ca 0.06 -0.00 0.28 0.00 2.81 0.00 0.00 57.97 61.12 1jy7 h PHE 71 Cb 0.57 0.03 -0.12 0.00 3.61 0.00 0.00 35.95 40.04 1jy7 h PHE 71 CO 0.01 0.45 0.62 0.77 -1.61 0.00 0.00 178.31 178.56 1jy7 h SER 72 N -0.84 0.56 0.13 2.17 0.02 -0.74 0.69 113.55 115.55 1jy7 h SER 72 Ca -0.01 0.14 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1jy7 h SER 72 Cb 0.60 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.20 1jy7 h SER 72 CO 0.02 0.02 -0.06 -0.78 -1.14 0.00 0.00 176.83 174.89 1jy7 h ASP 73 N 0.45 -0.15 0.00 3.07 1.82 -1.26 -2.97 116.42 117.38 1jy7 h ASP 73 Ca 0.67 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 57.31 1jy7 h ASP 73 Cb 1.48 0.04 0.00 0.00 0.68 0.00 0.00 39.33 41.53 1jy7 h ASP 73 CO -0.47 -0.09 0.01 1.23 -1.61 0.00 0.00 179.24 178.31 1jy7 h GLY 74 N -0.21 0.00 2.00 -0.78 0.00 -0.45 0.71 103.07 104.34 1jy7 h GLY 74 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1jy7 h GLY 74 CO 0.03 0.00 0.00 -2.00 0.00 0.00 0.00 176.54 174.57 1jy7 h LEU 75 N 0.00 0.00 -0.95 3.11 5.85 0.44 -2.40 115.31 121.35 1jy7 h LEU 75 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1jy7 h LEU 75 Cb 0.01 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.04 1jy7 h LEU 75 CO 0.00 0.00 -0.35 0.00 -0.34 0.00 0.00 178.44 177.75 1jy7 n ALA 76 N -2.08 3.28 -2.54 1.25 0.00 0.23 -4.40 120.51 116.25 1jy7 n ALA 76 Ca 0.02 -0.58 -0.13 0.00 0.00 0.00 0.00 53.44 52.75 1jy7 n ALA 76 Cb 0.37 -0.90 0.03 0.00 0.00 0.00 0.00 19.45 18.94 1jy7 n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1jy7 n HIS 77 N -0.05 1.99 0.12 0.00 8.25 -0.91 -4.91 115.22 119.72 1jy7 n HIS 77 Ca 0.11 -2.56 0.19 0.00 -0.26 0.00 0.00 57.72 55.20 1jy7 n HIS 77 Cb 0.44 -0.27 0.77 0.00 1.12 0.00 0.00 29.99 32.05 1jy7 n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1jy7 h LEU 78 N 2.63 0.00 0.61 2.41 3.38 -1.75 -2.77 115.31 119.83 1jy7 h LEU 78 Ca 0.07 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1jy7 h LEU 78 Cb 1.22 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.98 1jy7 h LEU 78 CO 0.54 0.00 -0.30 0.44 0.09 0.00 0.00 178.44 179.21 1jy7 h ASP 79 N 0.00 -0.72 -2.74 -0.43 3.45 -1.90 -3.30 116.42 110.78 1jy7 h ASP 79 Ca 0.16 0.03 -0.77 0.00 0.43 0.00 0.00 57.03 56.87 1jy7 h ASP 79 Cb 0.82 0.19 -0.30 0.00 -0.56 0.00 0.00 39.33 39.47 1jy7 h ASP 79 CO -0.00 -0.51 0.56 -3.20 -1.57 0.00 0.00 179.24 174.52 1jy7 n ASN 80 N -4.26 6.04 0.11 6.45 5.15 -1.06 -4.74 115.26 122.95 1jy7 n ASN 80 Ca -0.10 -3.44 -0.23 0.00 -0.60 0.00 0.00 54.58 50.20 1jy7 n ASN 80 Cb 0.33 -1.15 -0.14 0.00 -0.53 0.00 0.00 39.78 38.28 1jy7 n ASN 80 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 1jy7 h LEU 81 N 5.11 0.82 -1.10 1.20 5.85 -1.59 -3.05 115.31 122.54 1jy7 h LEU 81 Ca 0.22 -0.87 0.00 0.00 0.84 0.00 0.00 57.88 58.07 1jy7 h LEU 81 Cb 0.60 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.37 1jy7 h LEU 81 CO 1.24 1.62 0.00 0.29 -0.34 0.00 0.00 178.44 181.25 1jy7 n LYS 82 N -3.82 0.54 0.00 1.25 4.01 -1.26 -2.30 118.16 116.58 1jy7 n LYS 82 Ca -0.15 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.65 1jy7 n LYS 82 Cb 1.01 -1.27 0.00 0.00 -0.51 0.00 0.00 35.03 34.26 1jy7 n LYS 82 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1jy7 n GLY 83 N 0.28 0.44 0.11 0.72 0.00 -1.23 -4.78 105.19 100.74 1jy7 n GLY 83 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1jy7 n GLY 83 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1jy7 h THR 84 N 0.00 1.54 -0.50 2.61 2.02 -1.34 -3.12 112.91 114.11 1jy7 h THR 84 Ca 0.00 -2.64 0.00 0.00 0.77 0.00 0.00 66.41 64.54 1jy7 h THR 84 Cb 0.00 2.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.84 1jy7 h THR 84 CO 0.00 0.76 0.00 0.49 0.37 0.00 0.00 175.52 177.14 1jy7 n PHE 85 N -3.63 0.66 -0.33 3.16 3.01 -1.24 -4.60 117.46 114.49 1jy7 n PHE 85 Ca -0.01 -0.33 0.15 0.00 1.01 0.00 0.00 57.45 58.27 1jy7 n PHE 85 Cb 0.76 0.00 0.30 0.00 -0.01 0.00 0.00 39.48 40.54 1jy7 n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1jy7 h ALA 86 N 4.12 1.24 -0.01 4.37 0.00 -1.85 0.36 119.26 127.49 1jy7 h ALA 86 Ca 0.00 0.31 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 1jy7 h ALA 86 Cb 0.77 0.53 0.01 0.00 0.00 0.00 0.00 17.79 19.09 1jy7 h ALA 86 CO 0.00 -0.58 -0.40 1.15 0.00 0.00 0.00 179.25 179.42 1jy7 h THR 87 N 0.04 1.48 0.00 0.00 2.02 -1.87 -2.25 112.91 112.33 1jy7 h THR 87 Ca 0.60 -1.98 -0.01 0.00 0.77 0.00 0.00 66.41 65.80 1jy7 h THR 87 Cb 1.26 2.65 -0.00 0.00 -1.74 0.00 0.00 68.15 70.32 1jy7 h THR 87 CO -0.86 0.56 -0.04 -0.07 0.37 0.00 0.00 175.52 175.48 1jy7 h LEU 88 N -0.30 0.00 0.53 2.58 3.38 -1.63 0.46 115.31 120.33 1jy7 h LEU 88 Ca -0.05 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1jy7 h LEU 88 Cb 1.13 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.88 1jy7 h LEU 88 CO 0.08 0.04 -0.26 -1.28 0.09 0.00 0.00 178.44 177.11 1jy7 h SER 89 N 0.00 -0.60 -0.99 -0.43 0.87 -0.24 0.00 113.55 112.16 1jy7 h SER 89 Ca -0.00 0.01 0.15 0.00 -1.23 0.00 0.00 61.79 60.73 1jy7 h SER 89 Cb 0.11 0.16 -0.09 0.00 -0.44 0.00 0.00 62.40 62.14 1jy7 h SER 89 CO 0.00 -0.19 0.62 -0.08 -0.53 0.00 0.00 176.83 176.65 1jy7 h GLU 90 N -1.19 0.83 0.27 2.24 4.81 -0.73 0.15 114.58 120.96 1jy7 h GLU 90 Ca -0.07 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 1jy7 h GLU 90 Cb 0.55 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1jy7 h GLU 90 CO 0.12 0.55 -0.13 1.25 -0.73 0.00 0.00 179.01 180.07 1jy7 h LEU 91 N 0.86 -0.31 -2.70 1.64 5.85 -0.06 -2.53 115.31 118.06 1jy7 h LEU 91 Ca 0.53 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.26 1jy7 h LEU 91 Cb 0.70 0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.81 1jy7 h LEU 91 CO -0.31 -0.20 -0.01 0.45 -0.34 0.00 0.00 178.44 178.03 1jy7 h HIS 92 N -0.40 0.00 0.02 1.25 3.86 -0.80 -1.40 115.15 117.68 1jy7 h HIS 92 Ca -0.04 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.17 1jy7 h HIS 92 Cb 0.28 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.75 1jy7 h HIS 92 CO 0.14 0.01 -0.01 0.00 0.86 0.00 0.00 177.93 178.93 1jy7 n ASP 94 N -4.22 2.17 -0.14 0.00 5.75 -0.96 -3.39 116.55 115.77 1jy7 n ASP 94 Ca -0.00 -1.58 -0.29 0.00 -0.01 0.00 0.00 54.79 52.90 1jy7 n ASP 94 Cb 0.01 -0.04 -0.10 0.00 -1.03 0.00 0.00 41.12 39.96 1jy7 n ASP 94 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1jy7 n LYS 95 N 0.65 0.59 -0.02 0.11 4.76 -0.60 -4.70 118.16 118.94 1jy7 n LYS 95 Ca 0.08 0.26 0.07 0.00 -2.87 0.00 0.00 58.31 55.85 1jy7 n LYS 95 Cb 0.32 -1.49 -0.16 0.00 -1.84 0.00 0.00 35.03 31.86 1jy7 n LYS 95 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1jy7 n LEU 96 N -4.22 0.00 -3.15 -0.35 4.77 -0.75 -5.03 117.00 108.28 1jy7 n LEU 96 Ca -0.54 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.29 1jy7 n LEU 96 Cb 0.89 0.08 0.07 0.00 -2.33 0.00 0.00 43.42 42.13 1jy7 n LEU 96 CO 0.04 0.08 0.05 1.41 -1.33 0.00 0.00 177.39 177.64 1jy7 n HIS 97 N -2.31 -2.20 -3.62 -1.77 8.25 -1.07 -5.00 115.22 107.49 1jy7 n HIS 97 Ca -0.09 0.81 -0.36 0.00 -0.26 0.00 0.00 57.72 57.82 1jy7 n HIS 97 Cb 0.64 -4.24 -0.09 0.00 1.12 0.00 0.00 29.99 27.43 1jy7 n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1jy7 s VAL 98 N -3.35 5.34 0.20 1.59 1.01 -0.85 -5.05 120.40 119.29 1jy7 s VAL 98 Ca 0.30 0.30 -0.31 0.00 0.00 0.00 0.00 61.98 62.27 1jy7 s VAL 98 Cb -0.04 -3.54 -0.10 0.00 0.00 0.00 0.00 36.38 32.70 1jy7 s VAL 98 CO 0.68 0.35 1.47 -0.62 0.00 0.00 0.00 175.10 176.98 1jy7 s ASP 99 N 0.87 6.67 0.46 3.32 2.15 -1.26 -4.83 116.67 124.05 1jy7 s ASP 99 Ca 0.10 2.58 0.19 0.00 0.43 0.00 0.00 52.55 55.85 1jy7 s ASP 99 Cb -0.13 -2.61 1.16 0.00 -0.30 0.00 0.00 42.92 41.04 1jy7 s ASP 99 CO 0.04 -0.73 1.95 1.55 -0.17 0.00 0.00 175.17 177.81 1jy7 h PRO 100 N 5.92 0.27 -1.10 4.34 0.13 -1.97 -1.76 132.00 137.83 1jy7 h PRO 100 Ca -0.44 -0.02 0.31 0.00 -0.87 0.00 0.00 66.00 64.98 1jy7 h PRO 100 Cb 1.21 -0.06 -0.10 0.00 0.13 0.00 0.00 31.00 32.18 1jy7 h PRO 100 CO 0.84 0.18 0.71 1.49 -0.23 0.00 0.00 178.00 180.99 1jy7 h GLU 101 N 0.28 0.31 0.00 0.86 4.57 -2.01 0.87 114.58 119.46 1jy7 h GLU 101 Ca 0.33 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.48 1jy7 h GLU 101 Cb 0.88 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.40 1jy7 h GLU 101 CO -0.08 0.20 -0.04 -0.91 -1.18 0.00 0.00 179.01 177.01 1jy7 h ASN 102 N 0.32 0.00 -0.27 1.04 -0.26 -1.69 -1.36 115.58 113.35 1jy7 h ASN 102 Ca 0.65 0.00 -0.18 0.00 -0.56 0.00 0.00 56.30 56.20 1jy7 h ASN 102 Cb 1.76 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.02 1jy7 h ASN 102 CO -0.33 0.04 -0.55 -0.26 -1.06 0.00 0.00 177.43 175.27 1jy7 h PHE 103 N 0.00 1.08 -0.75 1.19 0.04 0.61 -2.86 116.94 116.26 1jy7 h PHE 103 Ca -0.00 -0.39 0.04 0.00 2.80 0.00 0.00 57.97 60.42 1jy7 h PHE 103 Cb 0.30 -0.20 -0.05 0.00 2.20 0.00 0.00 35.95 38.20 1jy7 h PHE 103 CO 0.00 1.22 0.46 0.00 -0.60 0.00 0.00 178.31 179.39 1jy7 h ARG 104 N 0.63 0.86 0.32 1.51 3.08 -1.19 -2.26 114.38 117.32 1jy7 h ARG 104 Ca 0.01 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 1jy7 h ARG 104 Cb 1.16 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 31.00 1jy7 h ARG 104 CO 0.12 0.57 -0.30 -0.07 -1.07 0.00 0.00 179.97 179.22 1jy7 h LEU 105 N 0.89 -0.81 -1.96 3.04 3.38 -1.36 -2.40 115.31 116.08 1jy7 h LEU 105 Ca 0.31 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1jy7 h LEU 105 Cb 0.07 0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1jy7 h LEU 105 CO -0.13 -0.44 0.03 0.25 0.09 0.00 0.00 178.44 178.24 1jy7 h LEU 106 N -0.65 0.05 -0.51 1.67 5.85 -1.38 -2.16 115.31 118.18 1jy7 h LEU 106 Ca -0.02 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1jy7 h LEU 106 Cb 0.58 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.58 1jy7 h LEU 106 CO -0.05 0.03 0.27 1.23 -0.34 0.00 0.00 178.44 179.58 1jy7 h GLY 107 N 0.06 0.77 1.43 3.75 0.00 -0.92 -2.72 103.07 105.44 1jy7 h GLY 107 Ca 0.02 -0.36 -0.16 0.00 0.00 0.00 0.00 47.33 46.83 1jy7 h GLY 107 CO -0.00 0.35 -0.50 3.43 0.00 0.00 0.00 176.54 179.81 1jy7 h ASN 108 N 0.68 0.66 0.82 0.19 -0.26 -1.04 -2.99 115.58 113.64 1jy7 h ASN 108 Ca 0.18 -0.34 -0.04 0.00 -0.56 0.00 0.00 56.30 55.54 1jy7 h ASN 108 Cb 0.08 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.14 1jy7 h ASN 108 CO -0.03 1.05 -0.20 -0.37 -1.06 0.00 0.00 177.43 176.82 1jy7 h VAL 109 N 0.48 0.55 -0.38 2.81 -1.51 -1.43 -1.78 116.25 114.99 1jy7 h VAL 109 Ca 0.02 -1.01 -0.10 0.00 -1.23 0.00 0.00 66.70 64.38 1jy7 h VAL 109 Cb 1.04 1.69 -0.01 0.00 -2.13 0.00 0.00 31.29 31.88 1jy7 h VAL 109 CO 0.10 0.20 -0.15 0.25 -1.23 0.00 0.00 177.57 176.73 1jy7 h LEU 110 N 0.00 0.79 -0.48 4.19 6.46 -1.35 -1.58 115.31 123.34 1jy7 h LEU 110 Ca -0.00 -0.39 0.01 0.00 -0.12 0.00 0.00 57.88 57.38 1jy7 h LEU 110 Cb 0.67 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.36 1jy7 h LEU 110 CO 0.03 1.01 0.30 0.58 -0.62 0.00 0.00 178.44 179.74 1jy7 h VAL 111 N 0.57 1.10 -0.78 1.05 2.07 -1.26 -0.88 116.25 118.11 1jy7 h VAL 111 Ca 0.09 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.41 1jy7 h VAL 111 Cb 0.70 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 1jy7 h VAL 111 CO 0.05 0.11 0.52 0.00 0.02 0.00 0.00 177.57 178.27 1jy7 h VAL 113 N 1.04 1.29 -0.36 0.00 2.07 -0.64 -1.53 116.25 118.13 1jy7 h VAL 113 Ca 0.29 -1.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.27 1jy7 h VAL 113 Cb -0.09 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1jy7 h VAL 113 CO -0.07 0.50 0.17 -0.07 0.02 0.00 0.00 177.57 178.11 1jy7 h LEU 114 N 0.53 0.47 -1.98 2.57 3.38 -0.79 -1.25 115.31 118.24 1jy7 h LEU 114 Ca 0.04 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1jy7 h LEU 114 Cb 0.94 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1jy7 h LEU 114 CO 0.08 0.47 0.00 0.00 0.09 0.00 0.00 178.44 179.09 1jy7 h ALA 115 N 1.02 1.00 -0.04 1.53 0.00 -1.16 -1.44 119.26 120.17 1jy7 h ALA 115 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1jy7 h ALA 115 Cb 0.13 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.93 1jy7 h ALA 115 CO -0.01 0.00 -0.38 1.25 0.00 0.00 0.00 179.25 180.11 1jy7 h HIS 116 N 0.00 0.46 0.15 0.00 -0.00 -0.16 -3.22 115.15 112.38 1jy7 h HIS 116 Ca 0.00 -0.22 -0.23 0.00 -0.00 0.00 0.00 60.37 59.91 1jy7 h HIS 116 Cb 0.30 -0.06 0.02 0.00 -0.00 0.00 0.00 27.41 27.67 1jy7 h HIS 116 CO 0.00 0.99 -1.09 0.45 -0.00 0.00 0.00 177.93 178.28 1jy7 h HIS 117 N -0.20 0.57 0.00 5.26 3.86 -1.20 -3.31 115.15 120.13 1jy7 h HIS 117 Ca -0.04 -0.42 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 1jy7 h HIS 117 Cb 1.07 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.51 1jy7 h HIS 117 CO 0.14 1.42 0.00 1.19 0.86 0.00 0.00 177.93 181.54 1jy7 n PHE 118 N -4.01 0.00 0.00 2.45 0.99 -0.56 -4.89 117.46 111.44 1jy7 n PHE 118 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.27 1jy7 n PHE 118 Cb 0.89 -0.07 0.00 0.00 -1.00 0.00 0.00 39.48 39.30 1jy7 n PHE 118 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1jy7 n GLY 119 N 0.15 0.27 0.31 1.37 0.00 -1.21 0.79 105.19 106.86 1jy7 n GLY 119 Ca 0.00 0.21 0.14 0.00 0.00 0.00 0.00 46.02 46.37 1jy7 n GLY 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jy7 n LYS 120 N 0.00 1.13 0.20 1.61 5.02 -1.26 -3.74 118.16 121.12 1jy7 n LYS 120 Ca 0.00 -0.62 0.10 0.00 -2.02 0.00 0.00 58.31 55.77 1jy7 n LYS 120 Cb 0.00 -1.49 0.13 0.00 -0.02 0.00 0.00 35.03 33.65 1jy7 n LYS 120 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1jy7 h GLU 121 N 1.52 0.00 -5.55 1.97 5.08 -0.02 -3.39 114.58 114.20 1jy7 h GLU 121 Ca 0.00 0.00 -0.69 0.00 -1.00 0.00 0.00 59.36 57.67 1jy7 h GLU 121 Cb 0.47 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.62 1jy7 h GLU 121 CO 0.00 0.11 2.06 0.34 -1.00 0.00 0.00 179.01 180.52 1jy7 n PHE 122 N -3.11 4.68 -2.01 4.33 7.35 -1.13 -4.98 117.46 122.59 1jy7 n PHE 122 Ca 0.03 -2.95 -0.30 0.00 -0.76 0.00 0.00 57.45 53.48 1jy7 n PHE 122 Cb 0.58 -2.54 0.03 0.00 0.35 0.00 0.00 39.48 37.90 1jy7 n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1jy7 s THR 123 N 3.61 3.87 0.25 -2.13 -4.23 -1.26 -4.80 115.64 110.95 1jy7 s THR 123 Ca 0.51 0.48 -0.03 0.00 -1.18 0.00 0.00 61.69 61.47 1jy7 s THR 123 Cb 0.03 -3.58 0.23 0.00 1.34 0.00 0.00 72.50 70.51 1jy7 s THR 123 CO 0.06 -0.73 1.72 -0.65 -0.54 0.00 0.00 174.62 174.48 1jy7 h PRO 124 N -0.45 0.41 0.00 3.99 0.11 -1.97 0.15 132.00 134.24 1jy7 h PRO 124 Ca -0.45 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 1jy7 h PRO 124 Cb 1.24 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1jy7 h PRO 124 CO 0.63 0.27 -0.14 -1.35 -0.21 0.00 0.00 178.00 177.20 1jy7 h PRO 125 N 0.43 0.00 0.02 1.05 0.11 -1.99 0.54 132.00 132.15 1jy7 h PRO 125 Ca 0.43 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.54 1jy7 h PRO 125 Cb 0.68 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.79 1jy7 h PRO 125 CO -0.43 0.14 -0.01 0.28 -0.21 0.00 0.00 178.00 177.78 1jy7 h VAL 126 N 0.00 1.50 -0.40 3.15 2.07 -1.19 -2.83 116.25 118.56 1jy7 h VAL 126 Ca -0.00 -1.74 0.07 0.00 0.82 0.00 0.00 66.70 65.85 1jy7 h VAL 126 Cb 0.26 2.65 -0.06 0.00 -1.52 0.00 0.00 31.29 32.62 1jy7 h VAL 126 CO 0.02 0.44 0.01 -0.61 0.02 0.00 0.00 177.57 177.45 1jy7 h GLN 127 N -0.80 0.11 -1.00 1.57 4.15 -0.63 0.48 115.11 119.00 1jy7 h GLN 127 Ca -0.00 -0.01 0.14 0.00 0.77 0.00 0.00 58.65 59.55 1jy7 h GLN 127 Cb 0.74 -0.03 -0.09 0.00 0.21 0.00 0.00 27.48 28.31 1jy7 h GLN 127 CO 0.00 0.08 0.63 0.00 -1.93 0.00 0.00 178.83 177.61 1jy7 h ALA 128 N 1.34 1.56 0.44 3.38 0.00 -0.96 0.53 119.26 125.56 1jy7 h ALA 128 Ca 0.20 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1jy7 h ALA 128 Cb 0.27 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1jy7 h ALA 128 CO -0.32 0.14 -0.21 0.00 0.00 0.00 0.00 179.25 178.86 1jy7 h ALA 129 N 1.57 -0.60 -0.85 0.00 0.00 -0.75 -3.19 119.26 115.44 1jy7 h ALA 129 Ca 0.52 -0.18 0.17 0.00 0.00 0.00 0.00 54.91 55.42 1jy7 h ALA 129 Cb 0.62 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.58 1jy7 h ALA 129 CO -0.30 -0.62 0.56 1.88 0.00 0.00 0.00 179.25 180.76 1jy7 h TYR 130 N -1.02 0.63 -0.57 0.00 0.05 -0.67 -0.33 116.97 115.06 1jy7 h TYR 130 Ca -0.06 0.02 0.07 0.00 0.05 0.00 0.00 58.73 58.81 1jy7 h TYR 130 Cb 0.56 -0.20 -0.03 0.00 1.01 0.00 0.00 36.73 38.07 1jy7 h TYR 130 CO 0.02 0.21 0.38 1.96 -1.05 0.00 0.00 178.16 179.68 1jy7 h GLN 131 N 0.51 0.46 -0.18 4.88 1.08 -0.89 -1.05 115.11 119.92 1jy7 h GLN 131 Ca 0.43 -0.03 -0.17 0.00 -1.45 0.00 0.00 58.65 57.43 1jy7 h GLN 131 Cb 0.91 -0.10 0.01 0.00 -0.05 0.00 0.00 27.48 28.24 1jy7 h GLN 131 CO -0.17 0.31 -0.56 0.87 -0.95 0.00 0.00 178.83 178.32 1jy7 h LYS 132 N 0.48 0.70 0.78 1.46 1.57 -1.08 -2.00 116.57 118.47 1jy7 h LYS 132 Ca 0.25 -0.51 -0.03 0.00 -1.87 0.00 0.00 60.65 58.49 1jy7 h LYS 132 Cb 0.38 0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 1jy7 h LYS 132 CO -0.07 1.13 -0.49 0.28 -0.57 0.00 0.00 179.45 179.72 1jy7 h VAL 133 N 0.39 0.00 -0.88 0.50 2.07 -1.25 -2.00 116.25 115.09 1jy7 h VAL 133 Ca -0.02 0.00 0.23 0.00 0.82 0.00 0.00 66.70 67.73 1jy7 h VAL 133 Cb 1.18 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.81 1jy7 h VAL 133 CO 0.12 0.00 0.23 0.58 0.02 0.00 0.00 177.57 178.51 1jy7 h VAL 134 N -1.20 0.31 -0.58 2.57 2.07 -1.28 0.01 116.25 118.15 1jy7 h VAL 134 Ca -0.10 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1jy7 h VAL 134 Cb 0.96 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1jy7 h VAL 134 CO 0.10 0.04 0.30 0.00 0.02 0.00 0.00 177.57 178.02 1jy7 h ALA 135 N 1.78 0.75 -0.38 1.67 0.00 -1.01 -2.31 119.26 119.76 1jy7 h ALA 135 Ca 0.55 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.28 1jy7 h ALA 135 Cb 1.10 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1jy7 h ALA 135 CO -0.66 0.29 -0.02 0.78 0.00 0.00 0.00 179.25 179.64 1jy7 h GLY 136 N 0.79 0.73 0.39 0.00 0.00 -0.32 0.02 103.07 104.69 1jy7 h GLY 136 Ca 0.20 -0.55 0.13 0.00 0.00 0.00 0.00 47.33 47.11 1jy7 h GLY 136 CO -0.03 0.51 0.56 -2.08 0.00 0.00 0.00 176.54 175.50 1jy7 h VAL 137 N 0.49 0.85 -0.00 4.60 2.07 -1.02 0.14 116.25 123.38 1jy7 h VAL 137 Ca 0.10 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1jy7 h VAL 137 Cb 0.49 -0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1jy7 h VAL 137 CO 0.02 0.16 -0.07 0.00 0.02 0.00 0.00 177.57 177.70 1jy7 h ALA 138 N 1.54 0.01 -0.80 1.67 0.00 -1.20 -3.12 119.26 117.36 1jy7 h ALA 138 Ca 0.48 -0.41 0.21 0.00 0.00 0.00 0.00 54.91 55.19 1jy7 h ALA 138 Cb 0.55 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.30 1jy7 h ALA 138 CO -0.30 -0.06 0.56 -0.97 0.00 0.00 0.00 179.25 178.48 1jy7 h ASN 139 N -0.69 0.16 0.21 0.00 -0.73 -0.45 -1.69 115.58 112.40 1jy7 h ASN 139 Ca -0.01 0.02 -0.01 0.00 1.87 0.00 0.00 56.30 58.17 1jy7 h ASN 139 Cb 0.83 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.41 1jy7 h ASN 139 CO 0.01 0.07 -0.10 0.00 -0.37 0.00 0.00 177.43 177.04 1jy7 h ALA 140 N 1.62 -0.28 -0.18 1.57 0.00 -0.73 -3.08 119.26 118.17 1jy7 h ALA 140 Ca 0.40 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.18 1jy7 h ALA 140 Cb 1.31 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 1jy7 h ALA 140 CO -0.07 -0.48 0.15 -0.07 0.00 0.00 0.00 179.25 178.77 1jy7 h LEU 141 N -0.63 0.00 0.00 0.00 3.38 -1.25 -0.93 115.31 115.87 1jy7 h LEU 141 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1jy7 h LEU 141 Cb 0.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 1jy7 h LEU 141 CO 0.05 0.00 -0.30 0.00 0.09 0.00 0.00 178.44 178.28 1jy7 n ALA 142 N -2.50 2.61 -0.28 1.53 0.00 -1.10 -4.04 120.51 116.72 1jy7 n ALA 142 Ca 0.01 -0.14 0.24 0.00 0.00 0.00 0.00 53.44 53.56 1jy7 n ALA 142 Cb 0.28 -1.32 0.57 0.00 0.00 0.00 0.00 19.45 18.97 1jy7 n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1jy7 h HIS 143 N 0.00 0.46 -0.52 0.00 6.17 -1.07 -1.80 115.15 118.38 1jy7 h HIS 143 Ca 0.00 0.02 0.10 0.00 0.71 0.00 0.00 60.37 61.20 1jy7 h HIS 143 Cb 0.73 -0.14 -0.09 0.00 2.52 0.00 0.00 27.41 30.44 1jy7 h HIS 143 CO 0.00 0.07 -0.04 -0.22 0.71 0.00 0.00 177.93 178.45 1jy7 h LYS 144 N 0.30 0.07 0.00 5.26 1.63 -1.76 -3.22 116.57 118.85 1jy7 h LYS 144 Ca 0.53 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.33 1jy7 h LYS 144 Cb 1.52 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 33.14 1jy7 h LYS 144 CO -0.19 0.05 0.00 0.66 -3.45 0.00 0.00 179.45 176.52 1jy7 n TYR 145 N -5.29 0.00 1.12 1.91 4.01 -0.68 -5.08 117.16 113.16 1jy7 n TYR 145 Ca 0.06 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.89 1jy7 n TYR 145 Cb 0.28 -0.31 0.53 0.00 -0.31 0.00 0.00 39.34 39.54 1jy7 n TYR 145 CO 0.00 0.00 0.00 -2.39 -0.46 0.00 0.00 176.86 174.01