#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 -1.71 6.34 -0.00 -1.26 -5.12 115.22 113.46 1jy7 n HIS 2 Ca 0.00 0.00 -0.59 0.00 -0.00 0.00 0.00 57.72 57.13 1jy7 n HIS 2 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 29.99 29.91 1jy7 n HIS 2 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1jy7 n LEU 3 N 0.00 2.14 -4.87 0.27 4.77 -1.26 -4.93 117.00 113.13 1jy7 n LEU 3 Ca 0.00 1.10 -0.32 0.00 -0.03 0.00 0.00 56.01 56.76 1jy7 n LEU 3 Cb 0.00 -1.09 -0.05 0.00 -2.33 0.00 0.00 43.42 39.94 1jy7 n LEU 3 CO 0.00 -0.53 0.33 0.42 -1.33 0.00 0.00 177.39 176.28 1jy7 s THR 4 N 3.35 4.81 0.00 -5.08 -4.23 -1.26 -4.61 115.64 108.62 1jy7 s THR 4 Ca 0.99 0.66 0.00 0.00 -1.18 0.00 0.00 61.69 62.17 1jy7 s THR 4 Cb -1.15 -3.64 0.00 0.00 1.34 0.00 0.00 72.50 69.06 1jy7 s THR 4 CO 0.68 -0.20 0.00 -2.65 -0.54 0.00 0.00 174.62 171.91 1jy7 n PRO 5 N -0.45 0.00 0.01 3.99 -0.02 -1.26 0.12 135.00 137.39 1jy7 n PRO 5 Ca 0.02 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.38 1jy7 n PRO 5 Cb 0.53 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.95 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 0.08 0.15 -0.52 9.09 -1.99 -1.71 114.58 119.69 1jy7 h GLU 6 Ca 0.00 -0.01 0.02 0.00 0.05 0.00 0.00 59.36 59.42 1jy7 h GLU 6 Cb 0.00 -0.02 -0.04 0.00 -1.65 0.00 0.00 28.75 27.04 1jy7 h GLU 6 CO 0.00 0.06 -0.36 0.93 0.05 0.00 0.00 179.01 179.70 1jy7 h GLU 7 N 0.08 -0.58 -0.99 1.06 5.08 -0.69 1.86 114.58 120.40 1jy7 h GLU 7 Ca 0.02 0.04 0.16 0.00 -1.00 0.00 0.00 59.36 58.58 1jy7 h GLU 7 Cb -0.00 0.13 -0.16 0.00 0.50 0.00 0.00 28.75 29.22 1jy7 h GLU 7 CO -0.00 -0.39 -0.37 -0.22 -1.00 0.00 0.00 179.01 177.02 1jy7 h LYS 8 N -0.60 -0.00 0.02 2.33 1.63 -0.51 0.12 116.57 119.55 1jy7 h LYS 8 Ca 0.02 0.00 -0.09 0.00 -0.85 0.00 0.00 60.65 59.73 1jy7 h LYS 8 Cb 0.62 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.26 1jy7 h LYS 8 CO -0.19 -0.00 -0.37 0.66 -3.45 0.00 0.00 179.45 176.09 1jy7 h SER 9 N -0.00 0.30 -0.71 4.20 4.64 -0.54 -3.23 113.55 118.20 1jy7 h SER 9 Ca 0.36 -0.81 0.15 0.00 -0.47 0.00 0.00 61.79 61.02 1jy7 h SER 9 Cb 0.61 -0.09 -0.11 0.00 -0.31 0.00 0.00 62.40 62.50 1jy7 h SER 9 CO -0.99 1.08 0.11 0.00 -0.87 0.00 0.00 176.83 176.16 1jy7 h ALA 10 N 0.23 0.85 -0.06 5.18 0.00 0.39 0.84 119.26 126.69 1jy7 h ALA 10 Ca -0.05 0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1jy7 h ALA 10 Cb 1.15 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 19.20 1jy7 h ALA 10 CO 0.07 -0.37 -0.03 0.28 0.00 0.00 0.00 179.25 179.20 1jy7 h VAL 11 N 0.21 0.89 0.00 0.00 2.07 -0.91 -1.86 116.25 116.65 1jy7 h VAL 11 Ca 0.39 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.85 1jy7 h VAL 11 Cb 0.67 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 1jy7 h VAL 11 CO -0.54 0.00 -0.31 0.71 0.02 0.00 0.00 177.57 177.46 1jy7 h THR 12 N -0.03 1.11 0.38 2.57 1.35 -1.18 -2.81 112.91 114.30 1jy7 h THR 12 Ca 0.04 -1.10 -0.00 0.00 -0.55 0.00 0.00 66.41 64.79 1jy7 h THR 12 Cb 0.08 1.61 -0.03 0.00 -1.73 0.00 0.00 68.15 68.09 1jy7 h THR 12 CO -0.08 0.30 -0.46 0.00 -0.25 0.00 0.00 175.52 175.03 1jy7 h ALA 13 N 1.69 -0.99 0.18 6.62 0.00 0.15 -2.98 119.26 123.93 1jy7 h ALA 13 Ca -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1jy7 h ALA 13 Cb 0.59 0.69 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1jy7 h ALA 13 CO 0.04 -1.10 -0.09 -0.07 0.00 0.00 0.00 179.25 178.03 1jy7 h LEU 14 N -0.88 -0.21 -1.29 0.00 3.38 -1.46 -3.10 115.31 111.75 1jy7 h LEU 14 Ca -0.04 -0.10 0.37 0.00 0.09 0.00 0.00 57.88 58.20 1jy7 h LEU 14 Cb 0.79 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.55 1jy7 h LEU 14 CO -0.11 -0.02 1.28 1.87 0.09 0.00 0.00 178.44 181.55 1jy7 n TRP 15 N -5.13 0.00 0.08 1.13 -0.00 -1.07 0.13 117.44 112.58 1jy7 n TRP 15 Ca -0.09 0.00 -0.12 0.00 -0.00 0.00 0.00 57.50 57.29 1jy7 n TRP 15 Cb 0.17 -0.32 -0.04 0.00 -0.00 0.00 0.00 31.31 31.12 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 0.35 -0.64 5.87 0.00 -1.44 -3.12 103.07 104.09 1jy7 h GLY 16 Ca 0.61 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1jy7 h GLY 16 CO -0.01 0.56 0.00 0.28 0.00 0.00 0.00 176.54 177.38 1jy7 n LYS 17 N -3.69 1.37 -2.85 4.80 5.02 0.34 -4.84 118.16 118.31 1jy7 n LYS 17 Ca -0.06 -0.50 -0.43 0.00 -2.02 0.00 0.00 58.31 55.31 1jy7 n LYS 17 Cb 0.84 -1.18 -0.04 0.00 -0.02 0.00 0.00 35.03 34.63 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 -1.75 4.56 -0.52 -0.18 1.01 -1.18 -4.99 120.40 117.36 1jy7 s VAL 18 Ca 0.09 0.87 -0.26 0.00 0.00 0.00 0.00 61.98 62.68 1jy7 s VAL 18 Cb 0.05 -4.36 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 1jy7 s VAL 18 CO 0.06 -0.67 2.24 0.21 0.00 0.00 0.00 175.10 176.93 1jy7 s ASN 19 N 2.07 4.72 0.54 3.32 3.84 -1.26 -4.82 114.94 123.35 1jy7 s ASN 19 Ca 0.36 0.88 0.22 0.00 0.21 0.00 0.00 52.86 54.52 1jy7 s ASN 19 Cb -0.11 -2.51 1.42 0.00 -0.55 0.00 0.00 41.25 39.49 1jy7 s ASN 19 CO 0.22 -2.70 2.11 1.62 -2.79 0.00 0.00 177.10 175.56 1jy7 h VAL 20 N 7.43 0.80 -0.37 -5.21 3.04 -1.95 -2.51 116.25 117.48 1jy7 h VAL 20 Ca -0.25 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.44 1jy7 h VAL 20 Cb 1.23 0.90 0.00 0.00 -2.01 0.00 0.00 31.29 31.42 1jy7 h VAL 20 CO 1.17 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 178.20 1jy7 n ASP 21 N -4.32 2.63 0.02 3.17 8.00 -1.26 -4.20 116.55 120.59 1jy7 n ASP 21 Ca 0.01 -2.17 0.00 0.00 0.71 0.00 0.00 54.79 53.34 1jy7 n ASP 21 Cb 0.27 -0.38 0.00 0.00 -0.02 0.00 0.00 41.12 40.98 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 0.56 0.00 -0.27 -1.24 -0.58 -0.96 -4.78 120.64 113.37 1jy7 n GLU 22 Ca 0.14 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.95 1jy7 n GLU 22 Cb 0.48 -0.17 0.20 0.00 -0.57 0.00 0.00 31.44 31.38 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 0.36 -0.20 2.62 2.07 -1.76 -0.45 116.25 118.88 1jy7 h VAL 23 Ca 0.00 -0.05 0.04 0.00 0.82 0.00 0.00 66.70 67.51 1jy7 h VAL 23 Cb 0.00 0.19 -0.04 0.00 -1.52 0.00 0.00 31.29 29.92 1jy7 h VAL 23 CO 0.00 0.03 -0.07 1.23 0.02 0.00 0.00 177.57 178.78 1jy7 h GLY 24 N 0.15 0.12 1.67 2.17 0.00 -1.78 -1.25 103.07 104.15 1jy7 h GLY 24 Ca 0.45 0.09 -0.15 0.00 0.00 0.00 0.00 47.33 47.72 1jy7 h GLY 24 CO -0.64 -0.09 -0.59 -1.33 0.00 0.00 0.00 176.54 173.88 1jy7 h GLY 25 N -0.03 0.38 1.37 4.60 0.00 -1.54 -2.80 103.07 105.05 1jy7 h GLY 25 Ca 0.10 -0.46 -0.12 0.00 0.00 0.00 0.00 47.33 46.85 1jy7 h GLY 25 CO -0.23 0.41 -0.30 -2.09 0.00 0.00 0.00 176.54 174.33 1jy7 h GLU 26 N 0.26 0.71 -0.13 4.80 4.81 -0.85 -1.63 114.58 122.55 1jy7 h GLU 26 Ca -0.00 -0.32 -0.08 0.00 -0.13 0.00 0.00 59.36 58.83 1jy7 h GLU 26 Cb 1.11 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1jy7 h GLU 26 CO 0.10 0.92 -0.24 0.00 -0.73 0.00 0.00 179.01 179.06 1jy7 h ALA 27 N 1.06 0.20 -0.12 2.92 0.00 -1.26 -1.98 119.26 120.09 1jy7 h ALA 27 Ca 0.07 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.56 1jy7 h ALA 27 Cb 0.81 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1jy7 h ALA 27 CO 0.07 0.18 -0.09 1.25 0.00 0.00 0.00 179.25 180.65 1jy7 h LEU 28 N -0.02 0.16 0.25 0.00 7.12 -1.50 -2.74 115.31 118.58 1jy7 h LEU 28 Ca 0.01 -0.02 -0.01 0.00 0.13 0.00 0.00 57.88 57.98 1jy7 h LEU 28 Cb 0.82 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.91 1jy7 h LEU 28 CO 0.05 0.28 -0.12 1.23 -0.13 0.00 0.00 178.44 179.75 1jy7 h GLY 29 N 0.58 -0.35 0.54 3.75 0.00 -1.22 -3.23 103.07 103.13 1jy7 h GLY 29 Ca 0.04 0.13 0.16 0.00 0.00 0.00 0.00 47.33 47.66 1jy7 h GLY 29 CO 0.01 -0.13 0.55 3.21 0.00 0.00 0.00 176.54 180.18 1jy7 h ARG 30 N -0.88 0.47 -0.50 4.80 3.08 -1.30 -1.36 114.38 118.68 1jy7 h ARG 30 Ca -0.03 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.01 1jy7 h ARG 30 Cb 0.51 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 1jy7 h ARG 30 CO 0.06 0.31 0.30 1.25 -1.07 0.00 0.00 179.97 180.82 1jy7 h LEU 31 N 0.48 0.49 -1.40 3.04 5.85 -1.54 0.16 115.31 122.39 1jy7 h LEU 31 Ca 0.42 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 59.08 1jy7 h LEU 31 Cb 0.91 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.83 1jy7 h LEU 31 CO -0.16 0.35 -0.29 -0.07 -0.34 0.00 0.00 178.44 177.93 1jy7 h LEU 32 N 0.60 0.00 0.01 2.25 3.38 -1.28 -1.06 115.31 119.22 1jy7 h LEU 32 Ca 0.20 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 1jy7 h LEU 32 Cb 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1jy7 h LEU 32 CO -0.09 0.29 -0.38 0.58 0.09 0.00 0.00 178.44 178.93 1jy7 h VAL 33 N 0.00 1.56 -0.11 1.22 2.07 -0.99 -3.31 116.25 116.69 1jy7 h VAL 33 Ca -0.00 -2.32 -0.16 0.00 0.82 0.00 0.00 66.70 65.03 1jy7 h VAL 33 Cb 0.59 3.10 -0.01 0.00 -1.52 0.00 0.00 31.29 33.45 1jy7 h VAL 33 CO 0.04 0.55 -0.62 0.58 0.02 0.00 0.00 177.57 178.13 1jy7 h VAL 34 N -0.94 1.36 -2.88 2.57 2.07 -0.74 -3.37 116.25 114.31 1jy7 h VAL 34 Ca -0.10 -1.97 -0.61 0.00 0.82 0.00 0.00 66.70 64.84 1jy7 h VAL 34 Cb 1.13 1.96 -0.41 0.00 -1.52 0.00 0.00 31.29 32.45 1jy7 h VAL 34 CO -0.04 0.59 -0.66 -1.22 0.02 0.00 0.00 177.57 176.27 1jy7 n TYR 35 N -3.89 2.44 -0.32 1.57 4.01 -0.40 -5.00 117.16 115.56 1jy7 n TYR 35 Ca -0.03 -4.11 0.22 0.00 -0.16 0.00 0.00 57.90 53.82 1jy7 n TYR 35 Cb 0.64 -0.45 0.43 0.00 -0.31 0.00 0.00 39.34 39.65 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 5.33 0.10 0.00 -0.72 0.11 -1.74 -2.43 132.00 132.66 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 0.78 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.87 1jy7 h PRO 36 CO 0.66 0.07 0.01 -2.67 -0.21 0.00 0.00 178.00 175.85 1jy7 n TRP 37 N -5.28 0.26 1.14 0.65 2.14 -1.26 -1.21 117.44 113.88 1jy7 n TRP 37 Ca 0.30 0.13 0.14 0.00 2.07 0.00 0.00 57.50 60.14 1jy7 n TRP 37 Cb 0.98 -0.71 0.57 0.00 -0.81 0.00 0.00 31.31 31.34 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 -1.76 0.00 0.15 -1.67 -2.24 -0.92 -3.32 114.28 104.53 1jy7 n THR 38 Ca -0.01 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 1jy7 n THR 38 Cb 0.02 -0.28 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 0.11 0.00 -1.15 -0.78 4.20 -1.38 -3.04 115.11 113.07 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 0.44 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 28.13 1jy7 h GLN 39 CO 0.00 0.53 0.76 -0.09 -0.67 0.00 0.00 178.83 179.37 1jy7 h ARG 40 N 0.00 0.22 0.00 1.46 2.43 -1.75 0.19 114.38 116.94 1jy7 h ARG 40 Ca -0.01 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 1jy7 h ARG 40 Cb 0.97 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.47 1jy7 h ARG 40 CO 0.07 0.15 -0.12 0.74 -1.51 0.00 0.00 179.97 179.30 1jy7 h PHE 41 N 0.23 0.00 -2.17 2.20 -1.00 -1.79 -3.36 116.94 111.06 1jy7 h PHE 41 Ca 0.64 0.00 -0.61 0.00 2.81 0.00 0.00 57.97 60.81 1jy7 h PHE 41 Cb 1.94 0.00 -0.41 0.00 3.61 0.00 0.00 35.95 41.09 1jy7 h PHE 41 CO -0.00 0.12 -0.53 1.19 -1.61 0.00 0.00 178.31 177.48 1jy7 n PHE 42 N -3.16 3.88 -0.00 -0.55 3.01 0.68 -4.82 117.46 116.49 1jy7 n PHE 42 Ca 0.02 -3.76 -0.13 0.00 1.01 0.00 0.00 57.45 54.60 1jy7 n PHE 42 Cb 0.50 -0.48 -0.09 0.00 -0.01 0.00 0.00 39.48 39.40 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 3.00 0.03 0.00 -1.08 5.08 -1.72 -3.20 114.58 116.69 1jy7 h GLU 43 Ca 0.19 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1jy7 h GLU 43 Cb 0.55 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1jy7 h GLU 43 CO 0.85 0.36 0.49 0.66 -1.00 0.00 0.00 179.01 180.37 1jy7 h SER 44 N -0.30 0.00 0.92 1.42 4.64 -1.94 -1.87 113.55 116.43 1jy7 h SER 44 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jy7 h SER 44 Cb 0.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1jy7 h SER 44 CO 0.00 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.45 1jy7 n PHE 45 N -2.78 0.57 0.00 4.77 0.99 -1.21 -5.01 117.46 114.79 1jy7 n PHE 45 Ca -0.02 0.20 0.00 0.00 -0.00 0.00 0.00 57.45 57.63 1jy7 n PHE 45 Cb 0.53 -0.82 0.00 0.00 -1.00 0.00 0.00 39.48 38.19 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 0.57 0.79 3.64 1.37 0.00 -0.70 -4.89 105.19 105.97 1jy7 n GLY 46 Ca 0.04 -1.41 -0.42 0.00 0.00 0.00 0.00 46.02 44.23 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 6.89 -0.13 1.61 3.68 -1.26 -4.88 116.67 118.58 1jy7 s ASP 47 Ca 0.00 1.09 0.22 0.00 2.13 0.00 0.00 52.55 56.00 1jy7 s ASP 47 Cb 0.00 -2.47 0.46 0.00 -1.45 0.00 0.00 42.92 39.46 1jy7 s ASP 47 CO 0.00 -0.59 1.16 0.18 0.13 0.00 0.00 175.17 176.04 1jy7 n LEU 48 N 6.17 1.59 0.17 -1.34 4.77 -1.26 -4.32 117.00 122.78 1jy7 n LEU 48 Ca 0.08 -2.69 -0.08 0.00 -0.03 0.00 0.00 56.01 53.28 1jy7 n LEU 48 Cb 0.47 0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.61 1jy7 n LEU 48 CO 0.50 0.86 0.23 -1.28 -1.33 0.00 0.00 177.39 176.37 1jy7 h SER 49 N 1.62 -0.42 -2.92 -1.43 0.87 -1.93 -3.46 113.55 105.88 1jy7 h SER 49 Ca -0.14 -0.02 -0.62 0.00 -1.23 0.00 0.00 61.79 59.78 1jy7 h SER 49 Cb 1.58 0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 63.61 1jy7 h SER 49 CO 0.16 0.02 -0.47 0.42 -0.53 0.00 0.00 176.83 176.42 1jy7 s THR 50 N -3.29 5.37 0.57 2.23 -4.23 -1.26 -4.99 115.64 110.04 1jy7 s THR 50 Ca -0.08 -0.29 0.29 0.00 -1.18 0.00 0.00 61.69 60.43 1jy7 s THR 50 Cb 0.01 -3.61 0.41 0.00 1.34 0.00 0.00 72.50 70.65 1jy7 s THR 50 CO 0.26 0.17 1.89 1.55 -0.54 0.00 0.00 174.62 177.94 1jy7 h PRO 51 N 3.20 0.00 0.01 3.99 0.13 -2.00 0.14 132.00 137.48 1jy7 h PRO 51 Ca -0.46 0.00 -0.24 0.00 -0.87 0.00 0.00 66.00 64.43 1jy7 h PRO 51 Cb 1.17 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.30 1jy7 h PRO 51 CO 0.74 0.00 -1.00 -0.44 -0.23 0.00 0.00 178.00 177.07 1jy7 h ASP 52 N 0.00 0.64 -0.88 1.44 3.32 -1.98 -2.20 116.42 116.76 1jy7 h ASP 52 Ca 0.29 -0.52 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1jy7 h ASP 52 Cb 1.37 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.68 1jy7 h ASP 52 CO -0.00 1.33 0.56 0.00 -1.72 0.00 0.00 179.24 179.40 1jy7 h ALA 53 N 0.63 1.12 0.64 3.45 0.00 -1.07 0.18 119.26 124.21 1jy7 h ALA 53 Ca -0.10 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1jy7 h ALA 53 Cb 1.65 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 19.09 1jy7 h ALA 53 CO 0.18 0.55 -0.31 0.28 0.00 0.00 0.00 179.25 179.95 1jy7 h VAL 54 N 1.20 0.21 0.00 0.00 2.07 -1.38 -3.06 116.25 115.29 1jy7 h VAL 54 Ca 0.32 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 1jy7 h VAL 54 Cb -0.09 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 29.96 1jy7 h VAL 54 CO -0.06 0.03 -0.01 0.24 0.02 0.00 0.00 177.57 177.79 1jy7 h MET 55 N -1.10 0.00 -0.91 1.57 2.07 -1.24 -2.58 114.93 112.75 1jy7 h MET 55 Ca -0.09 0.00 -0.63 0.00 -2.07 0.00 0.00 59.70 56.92 1jy7 h MET 55 Cb 0.70 0.00 -0.35 0.00 -1.87 0.00 0.00 31.60 30.08 1jy7 h MET 55 CO 0.14 0.01 0.16 0.41 1.07 0.00 0.00 176.91 178.70 1jy7 n GLY 56 N -1.01 6.10 3.19 8.32 0.00 0.63 -4.94 105.19 117.48 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 -2.57 4.23 0.25 1.61 3.84 -0.97 -4.93 114.94 116.39 1jy7 s ASN 57 Ca 0.59 -0.88 -0.03 0.00 0.21 0.00 0.00 52.86 52.75 1jy7 s ASN 57 Cb 0.47 -1.64 0.46 0.00 -0.55 0.00 0.00 41.25 39.99 1jy7 s ASN 57 CO 0.01 -0.12 1.78 -0.65 -2.79 0.00 0.00 177.10 175.33 1jy7 h PRO 58 N 7.99 0.68 -0.52 0.43 0.11 -1.92 -2.00 132.00 136.77 1jy7 h PRO 58 Ca -0.33 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.64 1jy7 h PRO 58 Cb 1.11 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.05 1jy7 h PRO 58 CO 0.57 0.45 -0.05 0.87 -0.21 0.00 0.00 178.00 179.63 1jy7 h LYS 59 N 0.70 0.96 0.72 1.05 1.57 -1.95 0.71 116.57 120.34 1jy7 h LYS 59 Ca 0.43 -0.33 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 1jy7 h LYS 59 Cb 0.51 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1jy7 h LYS 59 CO -0.31 1.00 -0.47 0.28 -0.57 0.00 0.00 179.45 179.38 1jy7 h VAL 60 N 0.83 0.00 0.00 0.50 2.07 -1.73 0.72 116.25 118.63 1jy7 h VAL 60 Ca 0.14 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.66 1jy7 h VAL 60 Cb 0.60 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1jy7 h VAL 60 CO 0.04 0.00 0.00 0.07 0.02 0.00 0.00 177.57 177.70 1jy7 h LYS 61 N -1.12 0.00 0.02 1.57 2.10 -1.43 0.92 116.57 118.62 1jy7 h LYS 61 Ca -0.10 0.00 -0.24 0.00 -2.00 0.00 0.00 60.65 58.31 1jy7 h LYS 61 Cb 0.91 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.25 1jy7 h LYS 61 CO 0.08 0.00 -1.01 0.00 -2.00 0.00 0.00 179.45 176.53 1jy7 h ALA 62 N 2.00 0.27 0.07 0.07 0.00 -0.59 -2.99 119.26 118.09 1jy7 h ALA 62 Ca 0.00 -0.72 -0.27 0.00 0.00 0.00 0.00 54.91 53.92 1jy7 h ALA 62 Cb 0.44 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.26 1jy7 h ALA 62 CO 0.00 0.78 -1.14 1.25 0.00 0.00 0.00 179.25 180.15 1jy7 h HIS 63 N 0.27 0.83 -0.39 0.00 -0.00 -0.39 -3.20 115.15 112.27 1jy7 h HIS 63 Ca -0.10 -0.50 0.09 0.00 -0.00 0.00 0.00 60.37 59.85 1jy7 h HIS 63 Cb 1.65 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 28.97 1jy7 h HIS 63 CO 0.07 1.35 0.27 0.78 -0.00 0.00 0.00 177.93 180.41 1jy7 h GLY 64 N 0.77 0.20 2.00 5.26 0.00 -0.87 0.25 103.07 110.68 1jy7 h GLY 64 Ca -0.14 -0.06 -0.05 0.00 0.00 0.00 0.00 47.33 47.08 1jy7 h GLY 64 CO 0.21 0.04 -0.22 1.70 0.00 0.00 0.00 176.54 178.27 1jy7 h LYS 65 N 0.15 0.00 -0.00 4.80 3.64 -1.51 -2.24 116.57 121.41 1jy7 h LYS 65 Ca 0.18 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.39 1jy7 h LYS 65 Cb 0.53 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 1jy7 h LYS 65 CO -0.03 0.22 -0.81 0.87 -2.27 0.00 0.00 179.45 177.44 1jy7 h LYS 66 N 0.00 0.08 -0.31 1.90 1.57 -0.62 -3.05 116.57 116.13 1jy7 h LYS 66 Ca -0.00 -0.08 -0.12 0.00 -1.87 0.00 0.00 60.65 58.58 1jy7 h LYS 66 Cb 0.42 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1jy7 h LYS 66 CO 0.03 0.84 -0.26 0.28 -0.57 0.00 0.00 179.45 179.77 1jy7 h VAL 67 N 0.04 1.30 0.00 0.50 2.07 -1.09 -2.81 116.25 116.26 1jy7 h VAL 67 Ca -0.02 -1.42 -0.05 0.00 0.82 0.00 0.00 66.70 66.03 1jy7 h VAL 67 Cb 1.42 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 1jy7 h VAL 67 CO 0.11 0.46 -0.26 -0.07 0.02 0.00 0.00 177.57 177.83 1jy7 h LEU 68 N 0.47 0.00 -1.11 2.57 3.38 -1.59 -1.74 115.31 117.29 1jy7 h LEU 68 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1jy7 h LEU 68 Cb 0.82 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 1jy7 h LEU 68 CO 0.07 0.26 0.56 1.23 0.09 0.00 0.00 178.44 180.64 1jy7 h GLY 69 N 1.13 1.23 1.80 0.83 0.00 -1.38 0.11 103.07 106.79 1jy7 h GLY 69 Ca -0.00 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 46.77 1jy7 h GLY 69 CO 0.03 0.47 -0.29 0.00 0.00 0.00 0.00 176.54 176.75 1jy7 h ALA 70 N 1.43 1.29 0.06 3.60 0.00 -1.16 -1.36 119.26 123.12 1jy7 h ALA 70 Ca 0.32 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1jy7 h ALA 70 Cb -0.11 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1jy7 h ALA 70 CO -0.07 0.48 -0.03 0.74 0.00 0.00 0.00 179.25 180.38 1jy7 h PHE 71 N 0.21 -0.07 -1.02 0.00 -1.00 -1.08 -1.39 116.94 112.58 1jy7 h PHE 71 Ca 0.03 -0.00 0.26 0.00 2.81 0.00 0.00 57.97 61.07 1jy7 h PHE 71 Cb 0.62 0.02 -0.12 0.00 3.61 0.00 0.00 35.95 40.08 1jy7 h PHE 71 CO 0.01 0.52 0.62 0.77 -1.61 0.00 0.00 178.31 178.62 1jy7 h SER 72 N -0.86 0.60 0.20 2.17 0.02 -0.76 0.56 113.55 115.47 1jy7 h SER 72 Ca -0.01 0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1jy7 h SER 72 Cb 0.63 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.21 1jy7 h SER 72 CO 0.01 0.08 -0.09 -0.78 -1.14 0.00 0.00 176.83 174.91 1jy7 h ASP 73 N 0.51 -0.22 -0.00 3.07 1.82 -1.23 -3.03 116.42 117.33 1jy7 h ASP 73 Ca 0.64 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 57.29 1jy7 h ASP 73 Cb 1.35 0.06 -0.00 0.00 0.68 0.00 0.00 39.33 41.42 1jy7 h ASP 73 CO -0.43 -0.13 0.01 1.23 -1.61 0.00 0.00 179.24 178.31 1jy7 h GLY 74 N -0.32 0.00 2.00 -0.78 0.00 -0.64 0.54 103.07 103.87 1jy7 h GLY 74 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1jy7 h GLY 74 CO 0.04 0.00 0.00 -2.00 0.00 0.00 0.00 176.54 174.58 1jy7 h LEU 75 N 0.00 0.00 -0.93 3.11 5.85 0.14 -2.40 115.31 121.08 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 0.02 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.05 1jy7 h LEU 75 CO -0.00 0.00 -0.39 0.00 -0.34 0.00 0.00 178.44 177.71 1jy7 n ALA 76 N -2.08 3.37 -2.55 1.25 0.00 0.17 -4.40 120.51 116.26 1jy7 n ALA 76 Ca 0.01 -0.59 -0.15 0.00 0.00 0.00 0.00 53.44 52.72 1jy7 n ALA 76 Cb 0.35 -0.88 0.02 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 -0.09 2.05 0.08 0.00 8.25 -0.91 -4.91 115.22 119.69 1jy7 n HIS 77 Ca 0.10 -2.66 0.19 0.00 -0.26 0.00 0.00 57.72 55.09 1jy7 n HIS 77 Cb 0.45 -0.26 0.73 0.00 1.12 0.00 0.00 29.99 32.03 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 2.68 0.00 0.52 2.41 3.38 -1.75 -2.87 115.31 119.68 1jy7 h LEU 78 Ca 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1jy7 h LEU 78 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1jy7 h LEU 78 CO 0.57 0.00 -0.29 0.44 0.09 0.00 0.00 178.44 179.26 1jy7 h ASP 79 N 0.00 -0.71 -2.75 -0.43 3.45 -1.91 -3.28 116.42 110.80 1jy7 h ASP 79 Ca 0.19 0.03 -0.78 0.00 0.43 0.00 0.00 57.03 56.91 1jy7 h ASP 79 Cb 0.87 0.20 -0.30 0.00 -0.56 0.00 0.00 39.33 39.53 1jy7 h ASP 79 CO -0.00 -0.46 0.59 -3.20 -1.57 0.00 0.00 179.24 174.59 1jy7 n ASN 80 N -4.15 6.10 0.13 6.45 5.15 -1.10 -4.72 115.26 123.12 1jy7 n ASN 80 Ca -0.09 -3.45 -0.24 0.00 -0.60 0.00 0.00 54.58 50.20 1jy7 n ASN 80 Cb 0.30 -1.17 -0.15 0.00 -0.53 0.00 0.00 39.78 38.24 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 5.12 0.87 -1.12 1.20 5.85 -1.58 -3.08 115.31 122.57 1jy7 h LEU 81 Ca 0.22 -0.88 0.00 0.00 0.84 0.00 0.00 57.88 58.06 1jy7 h LEU 81 Cb 0.59 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1jy7 h LEU 81 CO 1.25 1.68 0.00 0.29 -0.34 0.00 0.00 178.44 181.32 1jy7 n LYS 82 N -3.75 0.56 0.00 1.25 4.01 -1.26 -2.58 118.16 116.40 1jy7 n LYS 82 Ca -0.16 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.64 1jy7 n LYS 82 Cb 1.07 -1.27 0.00 0.00 -0.51 0.00 0.00 35.03 34.31 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 0.37 0.14 0.72 0.00 -1.23 -4.76 105.19 100.70 1jy7 n GLY 83 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 1.45 -0.50 2.61 2.02 -1.40 -3.05 112.91 114.04 1jy7 h THR 84 Ca 0.00 -2.28 0.00 0.00 0.77 0.00 0.00 66.41 64.90 1jy7 h THR 84 Cb 0.00 2.22 0.00 0.00 -1.74 0.00 0.00 68.15 68.63 1jy7 h THR 84 CO 0.00 0.66 0.00 0.49 0.37 0.00 0.00 175.52 177.04 1jy7 n PHE 85 N -3.77 0.66 -0.34 3.16 3.01 -1.24 -4.59 117.46 114.35 1jy7 n PHE 85 Ca -0.02 -0.33 0.16 0.00 1.01 0.00 0.00 57.45 58.27 1jy7 n PHE 85 Cb 0.69 0.00 0.32 0.00 -0.01 0.00 0.00 39.48 40.48 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 4.16 1.27 -0.01 4.37 0.00 -1.83 0.33 119.26 127.55 1jy7 h ALA 86 Ca 0.00 0.34 -0.07 0.00 0.00 0.00 0.00 54.91 55.17 1jy7 h ALA 86 Cb 0.79 0.58 0.01 0.00 0.00 0.00 0.00 17.79 19.16 1jy7 h ALA 86 CO 0.00 -0.61 -0.28 1.15 0.00 0.00 0.00 179.25 179.51 1jy7 h THR 87 N 0.01 1.53 0.00 0.00 2.02 -1.86 -2.19 112.91 112.41 1jy7 h THR 87 Ca 0.63 -1.93 -0.00 0.00 0.77 0.00 0.00 66.41 65.87 1jy7 h THR 87 Cb 1.33 2.72 -0.00 0.00 -1.74 0.00 0.00 68.15 70.46 1jy7 h THR 87 CO -0.91 0.53 -0.01 -0.07 0.37 0.00 0.00 175.52 175.43 1jy7 h LEU 88 N -0.45 0.00 0.45 2.58 3.38 -1.66 0.40 115.31 120.01 1jy7 h LEU 88 Ca -0.03 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 1jy7 h LEU 88 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1jy7 h LEU 88 CO 0.05 0.01 -0.22 -1.28 0.09 0.00 0.00 178.44 177.10 1jy7 h SER 89 N 0.00 -0.51 -0.93 -0.43 0.87 -0.30 -0.38 113.55 111.87 1jy7 h SER 89 Ca -0.00 0.02 0.16 0.00 -1.23 0.00 0.00 61.79 60.73 1jy7 h SER 89 Cb 0.05 0.13 -0.08 0.00 -0.44 0.00 0.00 62.40 62.06 1jy7 h SER 89 CO 0.00 -0.13 0.59 -0.08 -0.53 0.00 0.00 176.83 176.68 1jy7 h GLU 90 N -1.08 0.69 0.34 2.24 4.81 -0.68 0.12 114.58 121.02 1jy7 h GLU 90 Ca -0.06 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 1jy7 h GLU 90 Cb 0.46 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1jy7 h GLU 90 CO 0.10 0.45 -0.16 1.25 -0.73 0.00 0.00 179.01 179.92 1jy7 h LEU 91 N 0.71 -0.39 -2.51 1.64 5.85 -0.21 -2.69 115.31 117.71 1jy7 h LEU 91 Ca 0.48 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.21 1jy7 h LEU 91 Cb 0.78 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.91 1jy7 h LEU 91 CO -0.24 -0.23 -0.02 0.45 -0.34 0.00 0.00 178.44 178.06 1jy7 h HIS 92 N -0.55 0.00 0.06 1.25 3.86 -0.87 -1.31 115.15 117.59 1jy7 h HIS 92 Ca -0.05 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1jy7 h HIS 92 Cb 0.35 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.82 1jy7 h HIS 92 CO 0.10 0.02 -0.03 0.00 0.86 0.00 0.00 177.93 178.88 1jy7 n ASP 94 N -4.37 2.16 -0.14 0.00 5.75 -1.02 -3.36 116.55 115.58 1jy7 n ASP 94 Ca -0.01 -1.58 -0.29 0.00 -0.01 0.00 0.00 54.79 52.90 1jy7 n ASP 94 Cb 0.03 -0.04 -0.10 0.00 -1.03 0.00 0.00 41.12 39.98 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 0.66 0.58 -0.02 0.11 4.76 -0.58 -4.71 118.16 118.95 1jy7 n LYS 95 Ca 0.08 0.25 0.07 0.00 -2.87 0.00 0.00 58.31 55.84 1jy7 n LYS 95 Cb 0.32 -1.47 -0.15 0.00 -1.84 0.00 0.00 35.03 31.89 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 -4.17 0.00 -3.21 -0.35 4.77 -0.70 -5.02 117.00 108.32 1jy7 n LEU 96 Ca -0.53 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.30 1jy7 n LEU 96 Cb 0.89 0.06 0.07 0.00 -2.33 0.00 0.00 43.42 42.11 1jy7 n LEU 96 CO 0.04 0.06 0.06 1.41 -1.33 0.00 0.00 177.39 177.63 1jy7 n HIS 97 N -2.26 -2.25 -3.56 -1.77 8.25 -1.03 -5.00 115.22 107.60 1jy7 n HIS 97 Ca -0.07 0.84 -0.36 0.00 -0.26 0.00 0.00 57.72 57.87 1jy7 n HIS 97 Cb 0.60 -4.37 -0.08 0.00 1.12 0.00 0.00 29.99 27.26 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 -3.36 5.31 0.21 1.59 1.01 -0.84 -5.05 120.40 119.27 1jy7 s VAL 98 Ca 0.28 0.45 -0.30 0.00 0.00 0.00 0.00 61.98 62.40 1jy7 s VAL 98 Cb -0.04 -3.60 -0.09 0.00 0.00 0.00 0.00 36.38 32.65 1jy7 s VAL 98 CO 0.70 0.36 1.40 -0.62 0.00 0.00 0.00 175.10 176.95 1jy7 s ASP 99 N 0.68 6.75 0.40 3.32 2.15 -1.26 -4.83 116.67 123.87 1jy7 s ASP 99 Ca 0.14 2.53 0.13 0.00 0.43 0.00 0.00 52.55 55.78 1jy7 s ASP 99 Cb -0.13 -2.61 0.95 0.00 -0.30 0.00 0.00 42.92 40.83 1jy7 s ASP 99 CO 0.04 -0.65 1.89 1.55 -0.17 0.00 0.00 175.17 177.83 1jy7 h PRO 100 N 5.57 0.52 -1.17 4.34 0.13 -1.97 -1.60 132.00 137.82 1jy7 h PRO 100 Ca -0.45 -0.03 0.34 0.00 -0.87 0.00 0.00 66.00 65.00 1jy7 h PRO 100 Cb 1.21 -0.12 -0.11 0.00 0.13 0.00 0.00 31.00 32.12 1jy7 h PRO 100 CO 0.80 0.34 0.76 1.49 -0.23 0.00 0.00 178.00 181.16 1jy7 h GLU 101 N 0.53 0.23 0.00 0.86 4.57 -2.01 0.88 114.58 119.65 1jy7 h GLU 101 Ca 0.41 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.56 1jy7 h GLU 101 Cb 0.82 -0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.36 1jy7 h GLU 101 CO -0.16 0.15 -0.07 -0.91 -1.18 0.00 0.00 179.01 176.84 1jy7 h ASN 102 N 0.24 0.00 -0.33 1.04 -0.26 -1.66 -1.76 115.58 112.85 1jy7 h ASN 102 Ca 0.69 0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 56.31 1jy7 h ASN 102 Cb 2.01 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 39.26 1jy7 h ASN 102 CO -0.34 0.07 -0.28 -0.26 -1.06 0.00 0.00 177.43 175.56 1jy7 h PHE 103 N 0.00 0.92 -0.79 1.19 0.04 0.65 -2.84 116.94 116.11 1jy7 h PHE 103 Ca -0.00 -0.27 0.06 0.00 2.80 0.00 0.00 57.97 60.56 1jy7 h PHE 103 Cb 0.34 -0.20 -0.06 0.00 2.20 0.00 0.00 35.95 38.24 1jy7 h PHE 103 CO 0.00 1.03 0.48 0.00 -0.60 0.00 0.00 178.31 179.22 1jy7 h ARG 104 N 0.55 0.85 0.16 1.51 3.08 -1.28 -2.13 114.38 117.13 1jy7 h ARG 104 Ca 0.06 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1jy7 h ARG 104 Cb 0.85 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 1jy7 h ARG 104 CO 0.07 0.57 -0.15 -0.07 -1.07 0.00 0.00 179.97 179.32 1jy7 h LEU 105 N 0.88 -0.40 -1.72 3.04 3.38 -1.30 -2.21 115.31 116.98 1jy7 h LEU 105 Ca 0.35 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.34 1jy7 h LEU 105 Cb 0.16 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1jy7 h LEU 105 CO -0.17 -0.23 -0.02 0.25 0.09 0.00 0.00 178.44 178.36 1jy7 h LEU 106 N -0.34 0.13 -0.51 1.67 5.85 -1.29 -2.48 115.31 118.34 1jy7 h LEU 106 Ca 0.00 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 1jy7 h LEU 106 Cb 0.32 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1jy7 h LEU 106 CO -0.03 0.18 0.29 1.23 -0.34 0.00 0.00 178.44 179.76 1jy7 h GLY 107 N 0.37 0.76 1.40 3.75 0.00 -0.78 -2.62 103.07 105.95 1jy7 h GLY 107 Ca 0.03 -0.34 -0.15 0.00 0.00 0.00 0.00 47.33 46.88 1jy7 h GLY 107 CO 0.00 0.33 -0.46 3.43 0.00 0.00 0.00 176.54 179.84 1jy7 h ASN 108 N 0.69 0.70 0.66 0.19 -0.26 -1.07 -2.99 115.58 113.49 1jy7 h ASN 108 Ca 0.18 -0.34 -0.06 0.00 -0.56 0.00 0.00 56.30 55.53 1jy7 h ASN 108 Cb 0.03 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.09 1jy7 h ASN 108 CO -0.03 1.05 -0.27 -0.37 -1.06 0.00 0.00 177.43 176.75 1jy7 h VAL 109 N 0.52 0.79 -0.55 2.81 -1.51 -1.41 -1.55 116.25 115.35 1jy7 h VAL 109 Ca 0.03 -1.13 -0.10 0.00 -1.23 0.00 0.00 66.70 64.27 1jy7 h VAL 109 Cb 1.00 1.70 -0.02 0.00 -2.13 0.00 0.00 31.29 31.84 1jy7 h VAL 109 CO 0.09 0.27 -0.05 0.25 -1.23 0.00 0.00 177.57 176.90 1jy7 h LEU 110 N 0.00 0.99 -0.43 4.19 6.46 -1.33 -1.27 115.31 123.91 1jy7 h LEU 110 Ca -0.00 -0.33 -0.00 0.00 -0.12 0.00 0.00 57.88 57.43 1jy7 h LEU 110 Cb 0.68 -0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 40.32 1jy7 h LEU 110 CO 0.04 1.08 0.27 0.58 -0.62 0.00 0.00 178.44 179.78 1jy7 h VAL 111 N 0.87 1.13 -0.82 1.05 2.07 -1.25 -0.86 116.25 118.45 1jy7 h VAL 111 Ca 0.15 -0.29 0.03 0.00 0.82 0.00 0.00 66.70 67.41 1jy7 h VAL 111 Cb 0.60 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 1jy7 h VAL 111 CO 0.04 0.13 0.54 0.00 0.02 0.00 0.00 177.57 178.30 1jy7 h VAL 113 N 1.01 1.30 -0.45 0.00 2.07 -0.57 -2.14 116.25 117.47 1jy7 h VAL 113 Ca 0.32 -1.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.15 1jy7 h VAL 113 Cb 0.03 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 1jy7 h VAL 113 CO -0.09 0.53 0.20 -0.07 0.02 0.00 0.00 177.57 178.16 1jy7 h LEU 114 N 0.46 0.61 -1.77 2.57 3.38 -0.86 -1.44 115.31 118.26 1jy7 h LEU 114 Ca 0.01 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1jy7 h LEU 114 Cb 1.08 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1jy7 h LEU 114 CO 0.10 0.59 0.00 0.00 0.09 0.00 0.00 178.44 179.22 1jy7 h ALA 115 N 1.04 1.00 -0.01 1.53 0.00 -1.28 -1.56 119.26 119.99 1jy7 h ALA 115 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 1jy7 h ALA 115 Cb 0.16 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.96 1jy7 h ALA 115 CO -0.02 0.00 -0.66 1.25 0.00 0.00 0.00 179.25 179.83 1jy7 h HIS 116 N 0.00 0.68 0.15 0.00 -0.00 -0.57 -3.20 115.15 112.21 1jy7 h HIS 116 Ca 0.00 -0.36 -0.28 0.00 -0.00 0.00 0.00 60.37 59.73 1jy7 h HIS 116 Cb 0.33 -0.08 0.01 0.00 -0.00 0.00 0.00 27.41 27.66 1jy7 h HIS 116 CO 0.00 1.18 -1.35 0.45 -0.00 0.00 0.00 177.93 178.21 1jy7 h HIS 117 N -0.00 0.56 0.00 5.26 3.86 -1.29 -3.32 115.15 120.22 1jy7 h HIS 117 Ca -0.08 -0.41 0.00 0.00 -1.16 0.00 0.00 60.37 58.72 1jy7 h HIS 117 Cb 1.35 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 29.80 1jy7 h HIS 117 CO 0.14 1.53 0.00 1.19 0.86 0.00 0.00 177.93 181.64 1jy7 n PHE 118 N -3.89 0.00 0.00 2.45 0.99 -0.60 -4.89 117.46 111.51 1jy7 n PHE 118 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.23 1jy7 n PHE 118 Cb 0.93 -0.06 0.00 0.00 -1.00 0.00 0.00 39.48 39.36 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 0.19 0.29 0.33 1.37 0.00 -1.21 0.10 105.19 106.27 1jy7 n GLY 119 Ca 0.00 0.23 0.13 0.00 0.00 0.00 0.00 46.02 46.39 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 1.15 0.21 1.61 5.02 -1.26 -3.73 118.16 121.15 1jy7 n LYS 120 Ca 0.00 -0.66 0.12 0.00 -2.02 0.00 0.00 58.31 55.76 1jy7 n LYS 120 Cb 0.00 -1.49 0.22 0.00 -0.02 0.00 0.00 35.03 33.74 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 1.60 0.00 -5.40 1.97 5.08 0.31 -3.38 114.58 114.76 1jy7 h GLU 121 Ca 0.00 0.00 -0.70 0.00 -1.00 0.00 0.00 59.36 57.66 1jy7 h GLU 121 Cb 0.49 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.63 1jy7 h GLU 121 CO 0.00 0.00 1.93 0.34 -1.00 0.00 0.00 179.01 180.28 1jy7 n PHE 122 N -3.01 4.73 -2.02 4.33 7.35 -1.14 -4.98 117.46 122.71 1jy7 n PHE 122 Ca 0.04 -3.03 -0.29 0.00 -0.76 0.00 0.00 57.45 53.41 1jy7 n PHE 122 Cb 0.51 -2.47 0.04 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 3.21 3.74 0.25 -2.13 -4.23 -1.26 -4.80 115.64 110.42 1jy7 s THR 123 Ca 0.50 0.42 -0.04 0.00 -1.18 0.00 0.00 61.69 61.39 1jy7 s THR 123 Cb 0.02 -3.54 0.22 0.00 1.34 0.00 0.00 72.50 70.54 1jy7 s THR 123 CO 0.05 -0.67 1.73 -0.65 -0.54 0.00 0.00 174.62 174.54 1jy7 h PRO 124 N -0.47 0.45 0.00 3.99 0.11 -1.97 0.11 132.00 134.22 1jy7 h PRO 124 Ca -0.45 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 1jy7 h PRO 124 Cb 1.24 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1jy7 h PRO 124 CO 0.63 0.30 -0.12 -1.35 -0.21 0.00 0.00 178.00 177.25 1jy7 h PRO 125 N 0.46 0.00 0.04 1.05 0.11 -1.99 0.07 132.00 131.74 1jy7 h PRO 125 Ca 0.42 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.53 1jy7 h PRO 125 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.75 1jy7 h PRO 125 CO -0.40 0.12 -0.02 0.28 -0.21 0.00 0.00 178.00 177.76 1jy7 h VAL 126 N 0.00 1.30 -0.51 3.15 2.07 -1.25 -2.77 116.25 118.25 1jy7 h VAL 126 Ca -0.00 -1.62 0.09 0.00 0.82 0.00 0.00 66.70 65.99 1jy7 h VAL 126 Cb 0.21 2.30 -0.08 0.00 -1.52 0.00 0.00 31.29 32.20 1jy7 h VAL 126 CO 0.02 0.38 0.07 -0.61 0.02 0.00 0.00 177.57 177.45 1jy7 h GLN 127 N -0.84 0.19 -0.99 1.57 4.15 -0.76 0.18 115.11 118.62 1jy7 h GLN 127 Ca -0.01 -0.01 0.11 0.00 0.77 0.00 0.00 58.65 59.51 1jy7 h GLN 127 Cb 0.67 -0.04 -0.08 0.00 0.21 0.00 0.00 27.48 28.24 1jy7 h GLN 127 CO 0.01 0.13 0.62 0.00 -1.93 0.00 0.00 178.83 177.66 1jy7 h ALA 128 N 1.42 1.47 0.38 3.38 0.00 -1.04 0.37 119.26 125.24 1jy7 h ALA 128 Ca 0.26 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 1jy7 h ALA 128 Cb 0.37 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1jy7 h ALA 128 CO -0.36 0.25 -0.18 0.00 0.00 0.00 0.00 179.25 178.95 1jy7 h ALA 129 N 1.52 -0.52 -0.90 0.00 0.00 -0.78 -3.21 119.26 115.38 1jy7 h ALA 129 Ca 0.48 -0.19 0.15 0.00 0.00 0.00 0.00 54.91 55.35 1jy7 h ALA 129 Cb 0.43 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 1jy7 h ALA 129 CO -0.25 -0.59 0.58 1.88 0.00 0.00 0.00 179.25 180.86 1jy7 h TYR 130 N -0.91 0.82 -0.61 0.00 0.05 -0.74 0.38 116.97 115.95 1jy7 h TYR 130 Ca -0.05 0.02 0.10 0.00 0.05 0.00 0.00 58.73 58.85 1jy7 h TYR 130 Cb 0.54 -0.26 -0.04 0.00 1.01 0.00 0.00 36.73 37.99 1jy7 h TYR 130 CO 0.02 0.30 0.41 1.96 -1.05 0.00 0.00 178.16 179.80 1jy7 h GLN 131 N 0.69 0.42 -0.17 4.88 1.08 -0.93 -0.58 115.11 120.50 1jy7 h GLN 131 Ca 0.45 -0.03 -0.15 0.00 -1.45 0.00 0.00 58.65 57.47 1jy7 h GLN 131 Cb 0.73 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.07 1jy7 h GLN 131 CO -0.21 0.28 -0.48 0.87 -0.95 0.00 0.00 178.83 178.34 1jy7 h LYS 132 N 0.43 0.63 0.69 1.46 1.57 -0.94 -1.94 116.57 118.47 1jy7 h LYS 132 Ca 0.28 -0.45 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 1jy7 h LYS 132 Cb 0.53 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.91 1jy7 h LYS 132 CO -0.08 1.07 -0.48 0.28 -0.57 0.00 0.00 179.45 179.67 1jy7 h VAL 133 N 0.30 0.00 -0.91 0.50 2.07 -1.09 -1.82 116.25 115.31 1jy7 h VAL 133 Ca -0.01 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.76 1jy7 h VAL 133 Cb 1.10 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.73 1jy7 h VAL 133 CO 0.10 0.00 0.27 0.58 0.02 0.00 0.00 177.57 178.54 1jy7 h VAL 134 N -1.11 0.28 -0.62 2.57 2.07 -1.20 0.58 116.25 118.82 1jy7 h VAL 134 Ca -0.09 -0.07 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 1jy7 h VAL 134 Cb 0.91 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1jy7 h VAL 134 CO 0.06 0.04 0.28 0.00 0.02 0.00 0.00 177.57 177.97 1jy7 h ALA 135 N 1.81 0.81 -0.41 1.67 0.00 -0.87 -2.34 119.26 119.94 1jy7 h ALA 135 Ca 0.59 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 55.25 1jy7 h ALA 135 Cb 1.22 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1jy7 h ALA 135 CO -0.68 0.39 -0.15 0.78 0.00 0.00 0.00 179.25 179.59 1jy7 h GLY 136 N 0.86 0.89 0.46 0.00 0.00 -0.11 -0.54 103.07 104.63 1jy7 h GLY 136 Ca 0.21 -0.77 0.10 0.00 0.00 0.00 0.00 47.33 46.88 1jy7 h GLY 136 CO -0.02 0.70 0.43 -2.08 0.00 0.00 0.00 176.54 175.57 1jy7 h VAL 137 N 0.64 0.86 -0.02 4.60 2.07 -1.07 0.46 116.25 123.79 1jy7 h VAL 137 Ca 0.10 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 1jy7 h VAL 137 Cb 0.69 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1jy7 h VAL 137 CO 0.05 0.13 -0.11 0.00 0.02 0.00 0.00 177.57 177.66 1jy7 h ALA 138 N 1.46 0.04 -0.74 1.67 0.00 -1.28 -3.13 119.26 117.29 1jy7 h ALA 138 Ca 0.39 -0.37 0.19 0.00 0.00 0.00 0.00 54.91 55.12 1jy7 h ALA 138 Cb 0.41 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 1jy7 h ALA 138 CO -0.27 -0.05 0.52 -0.97 0.00 0.00 0.00 179.25 178.48 1jy7 h ASN 139 N -0.50 0.16 0.21 0.00 -0.73 -0.65 -1.93 115.58 112.14 1jy7 h ASN 139 Ca -0.01 0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.17 1jy7 h ASN 139 Cb 0.77 -0.02 0.00 0.00 0.27 0.00 0.00 38.32 39.34 1jy7 h ASN 139 CO 0.02 0.07 -0.10 0.00 -0.37 0.00 0.00 177.43 177.06 1jy7 h ALA 140 N 1.64 -0.28 -0.18 1.57 0.00 -0.90 -3.07 119.26 118.05 1jy7 h ALA 140 Ca 0.36 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 55.14 1jy7 h ALA 140 Cb 1.19 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1jy7 h ALA 140 CO -0.06 -0.49 0.13 -0.07 0.00 0.00 0.00 179.25 178.76 1jy7 h LEU 141 N -0.61 0.03 0.00 0.00 3.38 -1.30 -1.29 115.31 115.52 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 0.44 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1jy7 h LEU 141 CO 0.05 0.02 -0.21 0.00 0.09 0.00 0.00 178.44 178.39 1jy7 n ALA 142 N -2.57 2.57 -0.23 1.53 0.00 -1.10 -4.04 120.51 116.67 1jy7 n ALA 142 Ca 0.01 -0.13 0.22 0.00 0.00 0.00 0.00 53.44 53.54 1jy7 n ALA 142 Cb 0.24 -1.36 0.56 0.00 0.00 0.00 0.00 19.45 18.89 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 0.43 -0.52 0.00 6.17 -1.13 -2.01 115.15 118.09 1jy7 h HIS 143 Ca 0.00 0.01 0.10 0.00 0.71 0.00 0.00 60.37 61.19 1jy7 h HIS 143 Cb 0.67 -0.13 -0.08 0.00 2.52 0.00 0.00 27.41 30.39 1jy7 h HIS 143 CO 0.00 0.10 0.01 -0.22 0.71 0.00 0.00 177.93 178.53 1jy7 h LYS 144 N 0.31 0.12 0.00 5.26 1.63 -1.76 -3.23 116.57 118.91 1jy7 h LYS 144 Ca 0.47 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.26 1jy7 h LYS 144 Cb 1.32 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.92 1jy7 h LYS 144 CO -0.15 0.08 0.00 0.66 -3.45 0.00 0.00 179.45 176.59 1jy7 n TYR 145 N -5.23 0.00 1.21 1.91 4.01 -0.75 -5.08 117.16 113.23 1jy7 n TYR 145 Ca 0.06 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.90 1jy7 n TYR 145 Cb 0.28 -0.31 0.57 0.00 -0.31 0.00 0.00 39.34 39.57 1jy7 n TYR 145 CO 0.00 0.00 0.00 -2.39 -0.46 0.00 0.00 176.86 174.01