#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jy7 n LEU 2 N 0.00 -6.29 -4.38 6.55 4.77 -1.26 -5.02 117.00 111.37 1jy7 n LEU 2 Ca 0.00 0.58 -0.30 0.00 -0.03 0.00 0.00 56.01 56.26 1jy7 n LEU 2 Cb 0.00 -2.71 0.27 0.00 -2.33 0.00 0.00 43.42 38.65 1jy7 n LEU 2 CO 0.00 -1.88 0.46 -0.94 -1.33 0.00 0.00 177.39 173.70 1jy7 s SER 3 N -1.86 -0.43 0.08 -1.43 1.04 -1.26 -4.69 113.70 105.15 1jy7 s SER 3 Ca 0.13 0.92 -0.31 0.00 0.48 0.00 0.00 55.95 57.17 1jy7 s SER 3 Cb -0.04 -1.34 -0.16 0.00 0.10 0.00 0.00 66.02 64.58 1jy7 s SER 3 CO 0.55 -4.99 1.63 1.55 0.98 0.00 0.00 173.24 172.97 1jy7 h PRO 4 N -3.16 -0.72 -0.68 4.02 0.13 -2.00 -2.87 132.00 126.72 1jy7 h PRO 4 Ca -0.47 0.05 0.14 0.00 -0.87 0.00 0.00 66.00 64.86 1jy7 h PRO 4 Cb 1.33 0.16 -0.11 0.00 0.13 0.00 0.00 31.00 32.52 1jy7 h PRO 4 CO 0.33 -0.48 0.06 0.00 -0.23 0.00 0.00 178.00 177.68 1jy7 h ALA 5 N -0.29 0.75 -1.60 -0.56 0.00 -1.98 -1.10 119.26 114.47 1jy7 h ALA 5 Ca -0.06 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1jy7 h ALA 5 Cb 0.61 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1jy7 h ALA 5 CO 0.07 -0.38 0.00 -0.25 0.00 0.00 0.00 179.25 178.69 1jy7 n ASP 6 N -5.25 0.00 0.26 0.00 10.43 -1.10 -0.12 116.55 120.77 1jy7 n ASP 6 Ca 0.11 0.73 0.10 0.00 2.57 0.00 0.00 54.79 58.31 1jy7 n ASP 6 Cb 0.41 -0.23 0.54 0.00 1.84 0.00 0.00 41.12 43.67 1jy7 n ASP 6 CO 0.00 0.00 0.00 0.07 -1.07 0.00 0.00 177.20 176.20 1jy7 h LYS 7 N 0.00 0.00 0.01 -1.24 2.10 -1.29 0.79 116.57 116.93 1jy7 h LYS 7 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 1jy7 h LYS 7 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 1jy7 h LYS 7 CO 0.00 0.00 -0.04 1.15 -2.00 0.00 0.00 179.45 178.56 1jy7 h THR 8 N 0.00 1.77 -0.42 0.07 2.02 0.51 -3.14 112.91 113.71 1jy7 h THR 8 Ca 0.00 -2.30 0.01 0.00 0.77 0.00 0.00 66.41 64.89 1jy7 h THR 8 Cb 0.75 3.33 -0.03 0.00 -1.74 0.00 0.00 68.15 70.46 1jy7 h THR 8 CO 0.00 0.60 0.26 0.78 0.37 0.00 0.00 175.52 177.53 1jy7 h ASN 9 N -0.94 0.43 -0.50 4.18 4.21 0.18 -2.79 115.58 120.35 1jy7 h ASN 9 Ca -0.01 -0.00 0.10 0.00 1.21 0.00 0.00 56.30 57.60 1jy7 h ASN 9 Cb 1.01 -0.10 -0.09 0.00 -1.12 0.00 0.00 38.32 38.02 1jy7 h ASN 9 CO 0.01 0.31 -0.11 0.58 -1.29 0.00 0.00 177.43 176.93 1jy7 h VAL 10 N 0.53 0.51 0.34 2.81 2.07 -1.42 -2.29 116.25 118.80 1jy7 h VAL 10 Ca 0.16 -0.01 -0.00 0.00 0.82 0.00 0.00 66.70 67.67 1jy7 h VAL 10 Cb -0.02 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1jy7 h VAL 10 CO -0.06 0.00 -0.29 0.11 0.02 0.00 0.00 177.57 177.35 1jy7 h LYS 11 N 0.02 -0.62 -0.33 1.57 1.57 -1.44 -0.03 116.57 117.30 1jy7 h LYS 11 Ca 0.24 0.04 0.07 0.00 -1.87 0.00 0.00 60.65 59.13 1jy7 h LYS 11 Cb 0.38 0.14 -0.08 0.00 0.08 0.00 0.00 32.23 32.74 1jy7 h LYS 11 CO -0.50 -0.41 -0.37 0.00 -0.57 0.00 0.00 179.45 177.59 1jy7 h ALA 12 N -0.09 -0.33 -0.25 3.86 0.00 -1.22 1.49 119.26 122.71 1jy7 h ALA 12 Ca -0.02 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1jy7 h ALA 12 Cb 0.57 0.76 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1jy7 h ALA 12 CO -0.03 -0.80 0.01 0.00 0.00 0.00 0.00 179.25 178.43 1jy7 h ALA 13 N 0.53 0.34 0.00 0.00 0.00 -1.43 0.20 119.26 118.90 1jy7 h ALA 13 Ca 0.14 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1jy7 h ALA 13 Cb 0.57 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1jy7 h ALA 13 CO -0.50 0.06 -0.04 2.35 0.00 0.00 0.00 179.25 181.12 1jy7 h TRP 14 N 0.23 0.00 -0.10 0.00 2.91 -0.57 -1.08 115.95 117.34 1jy7 h TRP 14 Ca 0.07 0.00 -0.15 0.00 1.13 0.00 0.00 58.89 59.94 1jy7 h TRP 14 Cb 0.40 0.00 0.01 0.00 -0.51 0.00 0.00 29.16 29.05 1jy7 h TRP 14 CO 0.03 0.04 -0.54 0.78 -1.03 0.00 0.00 178.44 177.72 1jy7 h GLY 15 N 1.63 0.59 1.93 2.65 0.00 0.29 -3.09 103.07 107.06 1jy7 h GLY 15 Ca -0.00 -0.85 0.00 0.00 0.00 0.00 0.00 47.33 46.48 1jy7 h GLY 15 CO 0.01 0.75 0.00 0.28 0.00 0.00 0.00 176.54 177.58 1jy7 n LYS 16 N -4.20 0.00 -0.03 4.80 4.76 0.63 -3.02 118.16 121.09 1jy7 n LYS 16 Ca -0.08 0.47 -0.01 0.00 -2.87 0.00 0.00 58.31 55.81 1jy7 n LYS 16 Cb 0.62 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 32.31 1jy7 n LYS 16 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1jy7 h VAL 17 N 0.00 0.00 0.00 -0.18 2.07 -1.44 -3.49 116.25 113.22 1jy7 h VAL 17 Ca 0.00 -0.61 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1jy7 h VAL 17 Cb 0.01 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.78 1jy7 h VAL 17 CO 0.00 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.20 1jy7 n GLY 18 N 1.79 1.23 0.19 2.17 0.00 -1.17 -2.22 105.19 107.18 1jy7 n GLY 18 Ca -0.02 0.30 0.13 0.00 0.00 0.00 0.00 46.02 46.43 1jy7 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jy7 h ALA 19 N -0.76 1.00 0.00 4.61 0.00 -1.93 -3.13 119.26 119.05 1jy7 h ALA 19 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 1jy7 h ALA 19 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1jy7 h ALA 19 CO 0.00 0.00 -0.24 0.45 0.00 0.00 0.00 179.25 179.46 1jy7 h HIS 20 N 0.00 0.00 -0.95 0.00 -0.00 -1.83 -3.33 115.15 109.04 1jy7 h HIS 20 Ca 0.00 0.00 0.22 0.00 -0.00 0.00 0.00 60.37 60.59 1jy7 h HIS 20 Cb 0.85 0.00 -0.18 0.00 -0.00 0.00 0.00 27.41 28.08 1jy7 h HIS 20 CO 0.00 0.24 -0.14 0.00 -0.00 0.00 0.00 177.93 178.03 1jy7 h ALA 21 N 1.76 0.81 -0.18 2.45 0.00 -1.71 0.13 119.26 122.51 1jy7 h ALA 21 Ca -0.00 0.35 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1jy7 h ALA 21 Cb 0.95 0.67 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 1jy7 h ALA 21 CO 0.03 -0.45 0.11 0.78 0.00 0.00 0.00 179.25 179.72 1jy7 h GLY 22 N 0.01 0.25 1.00 0.00 0.00 -1.83 -0.41 103.07 102.09 1jy7 h GLY 22 Ca 0.50 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.74 1jy7 h GLY 22 CO -0.94 0.08 -0.09 0.83 0.00 0.00 0.00 176.54 176.42 1jy7 h GLU 23 N 0.23 -0.24 -1.00 4.80 5.08 -1.09 -2.51 114.58 119.85 1jy7 h GLU 23 Ca 0.07 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.50 1jy7 h GLU 23 Cb -0.01 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.23 1jy7 h GLU 23 CO -0.03 -0.16 0.65 1.88 -1.00 0.00 0.00 179.01 180.36 1jy7 h TYR 24 N -0.25 1.22 0.00 4.33 0.99 -0.90 -1.37 116.97 120.99 1jy7 h TYR 24 Ca -0.03 0.03 0.03 0.00 2.00 0.00 0.00 58.73 60.77 1jy7 h TYR 24 Cb 0.19 -0.40 -0.05 0.00 1.00 0.00 0.00 36.73 37.47 1jy7 h TYR 24 CO -0.07 0.66 -0.28 0.78 -0.00 0.00 0.00 178.16 179.26 1jy7 h GLY 25 N 1.22 -0.44 1.24 3.88 0.00 -0.74 0.23 103.07 108.47 1jy7 h GLY 25 Ca 0.42 0.34 -0.01 0.00 0.00 0.00 0.00 47.33 48.07 1jy7 h GLY 25 CO -0.15 -0.22 0.39 0.00 0.00 0.00 0.00 176.54 176.56 1jy7 h ALA 26 N 0.36 1.34 -0.22 3.60 0.00 -1.01 -1.68 119.26 121.65 1jy7 h ALA 26 Ca 0.06 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1jy7 h ALA 26 Cb 0.51 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1jy7 h ALA 26 CO -0.24 0.54 0.08 1.49 0.00 0.00 0.00 179.25 181.12 1jy7 h GLU 27 N 1.00 0.18 0.06 0.00 4.81 -0.52 -0.68 114.58 119.43 1jy7 h GLU 27 Ca 0.25 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.50 1jy7 h GLU 27 Cb 0.03 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.32 1jy7 h GLU 27 CO -0.04 0.12 -0.36 0.00 -0.73 0.00 0.00 179.01 178.00 1jy7 h ALA 28 N 1.13 -0.58 -0.52 2.92 0.00 -0.38 0.24 119.26 122.07 1jy7 h ALA 28 Ca 0.09 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.06 1jy7 h ALA 28 Cb 0.05 0.61 -0.10 0.00 0.00 0.00 0.00 17.79 18.35 1jy7 h ALA 28 CO -0.09 -0.90 -0.21 -0.07 0.00 0.00 0.00 179.25 177.99 1jy7 h LEU 29 N -0.55 -0.72 -0.02 0.00 3.38 -0.81 -1.87 115.31 114.71 1jy7 h LEU 29 Ca 0.04 0.18 0.02 0.00 0.09 0.00 0.00 57.88 58.21 1jy7 h LEU 29 Cb 0.61 0.41 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 1jy7 h LEU 29 CO -0.25 -0.24 -0.11 -0.08 0.09 0.00 0.00 178.44 177.86 1jy7 h GLU 30 N -0.09 -0.16 -0.97 1.13 4.81 -0.60 -1.90 114.58 116.80 1jy7 h GLU 30 Ca 0.24 0.01 0.20 0.00 -0.13 0.00 0.00 59.36 59.69 1jy7 h GLU 30 Cb 0.46 0.04 -0.09 0.00 0.63 0.00 0.00 28.75 29.79 1jy7 h GLU 30 CO -0.58 -0.11 0.62 0.00 -0.73 0.00 0.00 179.01 178.21 1jy7 h ARG 31 N -0.17 0.58 0.37 1.92 3.08 -0.23 -2.38 114.38 117.54 1jy7 h ARG 31 Ca 0.05 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 1jy7 h ARG 31 Cb 0.23 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.16 1jy7 h ARG 31 CO -0.12 0.38 -0.18 1.98 -1.07 0.00 0.00 179.97 180.96 1jy7 h MET 32 N 0.59 -0.48 -1.00 0.04 4.05 -0.61 -1.61 114.93 115.92 1jy7 h MET 32 Ca 0.54 0.03 0.19 0.00 -0.28 0.00 0.00 59.70 60.18 1jy7 h MET 32 Cb 1.07 0.11 -0.10 0.00 -0.80 0.00 0.00 31.60 31.87 1jy7 h MET 32 CO -0.29 -0.16 0.61 0.74 0.23 0.00 0.00 176.91 178.04 1jy7 h PHE 33 N -0.95 1.06 -0.10 1.39 0.04 -1.22 0.18 116.94 117.34 1jy7 h PHE 33 Ca -0.05 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.69 1jy7 h PHE 33 Cb 0.53 -0.32 -0.00 0.00 2.20 0.00 0.00 35.95 38.36 1jy7 h PHE 33 CO 0.03 0.24 -0.17 -0.07 -0.60 0.00 0.00 178.31 177.74 1jy7 h LEU 34 N 0.76 0.32 0.00 1.54 3.38 -1.43 -3.07 115.31 116.82 1jy7 h LEU 34 Ca 0.57 -0.54 -0.17 0.00 0.09 0.00 0.00 57.88 57.83 1jy7 h LEU 34 Cb 0.89 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.56 1jy7 h LEU 34 CO -0.37 0.80 -0.68 0.28 0.09 0.00 0.00 178.44 178.56 1jy7 h SER 35 N -0.14 0.60 -3.07 -0.43 0.02 -0.84 -3.39 113.55 106.28 1jy7 h SER 35 Ca 0.01 -0.76 -0.63 0.00 -0.84 0.00 0.00 61.79 59.56 1jy7 h SER 35 Cb 0.74 -0.18 -0.41 0.00 0.14 0.00 0.00 62.40 62.69 1jy7 h SER 35 CO 0.04 1.28 -0.49 0.49 -1.14 0.00 0.00 176.83 177.01 1jy7 n PHE 36 N -4.15 3.44 -0.34 3.45 3.01 0.59 -4.95 117.46 118.50 1jy7 n PHE 36 Ca -0.11 -4.28 0.27 0.00 1.01 0.00 0.00 57.45 54.35 1jy7 n PHE 36 Cb 0.71 -0.71 0.58 0.00 -0.01 0.00 0.00 39.48 40.05 1jy7 n PHE 36 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1jy7 h PRO 37 N 5.41 0.26 -0.80 -1.08 0.11 -1.72 -1.59 132.00 132.59 1jy7 h PRO 37 Ca 0.15 -0.02 0.21 0.00 0.11 0.00 0.00 66.00 66.46 1jy7 h PRO 37 Cb 0.75 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 31.76 1jy7 h PRO 37 CO 0.75 0.17 0.56 0.00 -0.21 0.00 0.00 178.00 179.27 1jy7 h THR 38 N 0.27 0.64 0.00 -1.15 1.03 -1.93 -1.39 112.91 110.39 1jy7 h THR 38 Ca 0.63 -0.04 0.00 0.00 -0.01 0.00 0.00 66.41 66.98 1jy7 h THR 38 Cb 1.83 0.50 0.00 0.00 -1.07 0.00 0.00 68.15 69.41 1jy7 h THR 38 CO -0.26 0.02 0.00 0.71 -0.01 0.00 0.00 175.52 175.98 1jy7 h THR 39 N 0.13 0.00 0.00 0.00 1.35 -1.63 -2.98 112.91 109.78 1jy7 h THR 39 Ca 0.39 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 66.04 1jy7 h THR 39 Cb 1.35 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.89 1jy7 h THR 39 CO -0.05 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.33 1jy7 h LYS 40 N 0.00 0.00 -0.01 4.72 1.57 -1.46 -3.03 116.57 118.35 1jy7 h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1jy7 h LYS 40 Cb 0.23 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1jy7 h LYS 40 CO 0.00 0.00 0.01 1.15 -0.57 0.00 0.00 179.45 180.04 1jy7 h THR 41 N 0.00 0.86 0.00 -0.16 2.02 -1.74 -2.02 112.91 111.88 1jy7 h THR 41 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1jy7 h THR 41 Cb 0.25 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1jy7 h THR 41 CO 0.00 0.00 0.00 -1.22 0.37 0.00 0.00 175.52 174.67 1jy7 n TYR 42 N -4.34 0.91 -3.30 3.16 4.01 -1.15 -4.12 117.16 112.34 1jy7 n TYR 42 Ca -0.03 0.28 -0.26 0.00 -0.16 0.00 0.00 57.90 57.73 1jy7 n TYR 42 Cb 0.10 -0.96 -0.07 0.00 -0.31 0.00 0.00 39.34 38.10 1jy7 n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1jy7 n PHE 43 N -2.26 3.10 0.41 -0.72 3.01 -0.76 -4.96 117.46 115.28 1jy7 n PHE 43 Ca 0.05 -4.04 -0.16 0.00 1.01 0.00 0.00 57.45 54.31 1jy7 n PHE 43 Cb 0.39 -0.52 -0.08 0.00 -0.01 0.00 0.00 39.48 39.27 1jy7 n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1jy7 h PRO 44 N 3.90 -1.01 -0.27 -1.08 0.13 -1.72 -3.15 132.00 128.81 1jy7 h PRO 44 Ca 0.17 0.07 0.08 0.00 -0.87 0.00 0.00 66.00 65.45 1jy7 h PRO 44 Cb 0.67 0.23 -0.01 0.00 0.13 0.00 0.00 31.00 32.02 1jy7 h PRO 44 CO 0.78 -0.67 0.43 1.12 -0.23 0.00 0.00 178.00 179.43 1jy7 h HIS 45 N -1.15 0.00 -4.17 1.56 2.07 -1.95 -3.45 115.15 108.06 1jy7 h HIS 45 Ca -0.11 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 56.88 1jy7 h HIS 45 Cb 0.80 0.00 0.15 0.00 2.57 0.00 0.00 27.41 30.93 1jy7 h HIS 45 CO 0.03 0.00 0.40 -0.06 -3.07 0.00 0.00 177.93 175.22 1jy7 s PHE 46 N -4.42 2.07 -0.32 6.12 2.99 -1.19 -5.02 117.98 118.21 1jy7 s PHE 46 Ca -0.04 1.59 -0.12 0.00 0.00 0.00 0.00 56.93 58.37 1jy7 s PHE 46 Cb 0.13 -3.47 -0.02 0.00 0.00 0.00 0.00 43.02 39.66 1jy7 s PHE 46 CO 0.44 -2.59 0.21 0.34 -0.00 0.00 0.00 175.22 173.62 1jy7 s ASP 47 N -2.02 5.91 -0.17 1.36 3.68 -1.26 -4.99 116.67 119.19 1jy7 s ASP 47 Ca 0.74 -0.39 0.16 0.00 2.13 0.00 0.00 52.55 55.19 1jy7 s ASP 47 Cb -0.29 -2.10 0.61 0.00 -1.45 0.00 0.00 42.92 39.69 1jy7 s ASP 47 CO 0.45 -0.20 1.52 0.18 0.13 0.00 0.00 175.17 177.25 1jy7 n LEU 48 N 5.07 4.41 0.00 -1.34 7.99 -1.26 -4.58 117.00 127.28 1jy7 n LEU 48 Ca -0.13 -2.81 -0.15 0.00 -0.01 0.00 0.00 56.01 52.91 1jy7 n LEU 48 Cb 0.50 -0.55 0.15 0.00 -0.11 0.00 0.00 43.42 43.40 1jy7 n LEU 48 CO 0.35 0.69 0.17 -1.54 -1.51 0.00 0.00 177.39 175.55 1jy7 n SER 49 N 0.13 -3.03 -0.05 -1.43 3.41 -1.26 -4.94 113.62 106.45 1jy7 n SER 49 Ca 0.23 -0.43 -0.14 0.00 -0.26 0.00 0.00 58.87 58.26 1jy7 n SER 49 Cb 0.93 -0.51 -0.07 0.00 -0.26 0.00 0.00 64.21 64.29 1jy7 n SER 49 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1jy7 h HIS 50 N -2.79 0.53 0.10 7.33 2.76 -2.04 -3.33 115.15 117.71 1jy7 h HIS 50 Ca -0.20 -0.19 -0.26 0.00 -2.20 0.00 0.00 60.37 57.52 1jy7 h HIS 50 Cb 0.66 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.51 1jy7 h HIS 50 CO 0.00 0.88 -1.22 0.78 -1.30 0.00 0.00 177.93 177.07 1jy7 h GLY 51 N 0.03 0.24 0.00 5.26 0.00 -1.99 -3.49 103.07 103.12 1jy7 h GLY 51 Ca 0.01 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1jy7 h GLY 51 CO 0.06 0.53 0.00 -1.26 0.00 0.00 0.00 176.54 175.87 1jy7 n SER 52 N -3.48 0.00 0.20 0.19 2.88 -1.25 -4.58 113.62 107.58 1jy7 n SER 52 Ca -0.07 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.54 1jy7 n SER 52 Cb 1.01 0.00 0.34 0.00 -0.75 0.00 0.00 64.21 64.81 1jy7 n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1jy7 h ALA 53 N 0.00 0.96 -0.51 -1.46 0.00 -1.94 -0.41 119.26 115.90 1jy7 h ALA 53 Ca 0.00 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 1jy7 h ALA 53 Cb 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1jy7 h ALA 53 CO 0.00 0.40 0.14 1.96 0.00 0.00 0.00 179.25 181.75 1jy7 h GLN 54 N 0.00 0.80 -0.08 0.00 4.20 -1.88 1.69 115.11 119.84 1jy7 h GLN 54 Ca -0.00 -0.18 -0.06 0.00 0.06 0.00 0.00 58.65 58.46 1jy7 h GLN 54 Cb 0.90 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.57 1jy7 h GLN 54 CO 0.04 0.75 -0.19 0.28 -0.67 0.00 0.00 178.83 179.04 1jy7 h VAL 55 N 0.70 1.41 -0.98 -0.54 2.07 -1.77 0.83 116.25 117.95 1jy7 h VAL 55 Ca 0.16 -1.51 0.03 0.00 0.82 0.00 0.00 66.70 66.20 1jy7 h VAL 55 Cb 0.30 2.18 -0.05 0.00 -1.52 0.00 0.00 31.29 32.20 1jy7 h VAL 55 CO -0.00 0.43 0.65 0.50 0.02 0.00 0.00 177.57 179.16 1jy7 h LYS 56 N -0.19 1.23 0.08 1.57 1.63 -0.89 0.49 116.57 120.49 1jy7 h LYS 56 Ca -0.00 -0.07 -0.24 0.00 -0.85 0.00 0.00 60.65 59.48 1jy7 h LYS 56 Cb 0.79 -0.28 0.02 0.00 -0.60 0.00 0.00 32.23 32.17 1jy7 h LYS 56 CO 0.04 0.82 -1.00 0.78 -3.45 0.00 0.00 179.45 176.64 1jy7 h GLY 57 N 1.27 0.60 2.00 5.01 0.00 0.26 -3.21 103.07 109.01 1jy7 h GLY 57 Ca 0.38 -1.21 -0.03 0.00 0.00 0.00 0.00 47.33 46.48 1jy7 h GLY 57 CO -0.11 1.07 -0.12 0.84 0.00 0.00 0.00 176.54 178.21 1jy7 h HIS 58 N 0.10 0.00 -0.13 5.60 -0.00 0.93 -2.77 115.15 118.88 1jy7 h HIS 58 Ca -0.15 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.16 1jy7 h HIS 58 Cb 1.70 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 29.10 1jy7 h HIS 58 CO 0.13 0.12 -0.19 0.78 -0.00 0.00 0.00 177.93 178.78 1jy7 h GLY 59 N 2.17 0.24 1.32 5.26 0.00 -0.02 -2.64 103.07 109.40 1jy7 h GLY 59 Ca -0.00 -0.16 -0.30 0.00 0.00 0.00 0.00 47.33 46.87 1jy7 h GLY 59 CO 0.02 0.15 -1.30 1.70 0.00 0.00 0.00 176.54 177.11 1jy7 h LYS 60 N 0.21 0.54 -0.74 4.80 3.64 -1.53 -2.94 116.57 120.55 1jy7 h LYS 60 Ca 0.04 -0.79 0.14 0.00 -1.27 0.00 0.00 60.65 58.77 1jy7 h LYS 60 Cb 0.46 0.27 -0.09 0.00 -0.41 0.00 0.00 32.23 32.46 1jy7 h LYS 60 CO 0.03 1.36 0.30 0.87 -2.27 0.00 0.00 179.45 179.74 1jy7 h LYS 61 N 0.21 0.44 -0.15 1.90 1.57 -1.35 -0.10 116.57 119.10 1jy7 h LYS 61 Ca -0.19 -0.03 -0.20 0.00 -1.87 0.00 0.00 60.65 58.36 1jy7 h LYS 61 Cb 1.98 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 34.19 1jy7 h LYS 61 CO 0.24 0.29 -0.72 0.28 -0.57 0.00 0.00 179.45 178.97 1jy7 h VAL 62 N 0.45 1.31 0.15 0.50 2.07 -1.56 -2.93 116.25 116.24 1jy7 h VAL 62 Ca 0.40 -1.98 -0.00 0.00 0.82 0.00 0.00 66.70 65.94 1jy7 h VAL 62 Cb 0.59 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.32 1jy7 h VAL 62 CO -0.39 0.62 -0.10 0.00 0.02 0.00 0.00 177.57 177.72 1jy7 h ALA 63 N 0.73 -0.24 -0.81 1.67 0.00 -1.15 -2.31 119.26 117.16 1jy7 h ALA 63 Ca -0.03 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 54.93 1jy7 h ALA 63 Cb 1.32 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 19.18 1jy7 h ALA 63 CO 0.14 -0.64 0.45 -0.44 0.00 0.00 0.00 179.25 178.76 1jy7 h ASP 64 N -0.25 0.63 -0.66 0.00 3.32 -1.09 -1.30 116.42 117.06 1jy7 h ASP 64 Ca -0.01 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.12 1jy7 h ASP 64 Cb 0.22 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.67 1jy7 h ASP 64 CO -0.00 0.35 0.41 0.00 -1.72 0.00 0.00 179.24 178.29 1jy7 h ALA 65 N 1.46 0.85 -0.62 3.45 0.00 -1.30 -0.96 119.26 122.14 1jy7 h ALA 65 Ca 0.39 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.20 1jy7 h ALA 65 Cb 0.39 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1jy7 h ALA 65 CO -0.26 0.19 0.08 -0.07 0.00 0.00 0.00 179.25 179.19 1jy7 h LEU 66 N 0.82 0.99 0.11 0.00 3.38 -0.71 -1.42 115.31 118.48 1jy7 h LEU 66 Ca 0.26 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1jy7 h LEU 66 Cb -0.00 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 1jy7 h LEU 66 CO -0.10 0.99 -0.08 0.74 0.09 0.00 0.00 178.44 180.09 1jy7 h THR 67 N 0.96 0.82 -0.55 0.22 2.02 -0.88 0.99 112.91 116.49 1jy7 h THR 67 Ca 0.19 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.42 1jy7 h THR 67 Cb 0.44 0.82 -0.05 0.00 -1.74 0.00 0.00 68.15 67.62 1jy7 h THR 67 CO 0.01 0.00 0.27 -1.13 0.37 0.00 0.00 175.52 175.04 1jy7 h ASN 68 N -0.20 0.37 0.35 4.18 -0.73 -1.03 -0.48 115.58 118.04 1jy7 h ASN 68 Ca -0.00 0.04 -0.06 0.00 1.87 0.00 0.00 56.30 58.15 1jy7 h ASN 68 Cb 0.18 -0.03 -0.01 0.00 0.27 0.00 0.00 38.32 38.73 1jy7 h ASN 68 CO -0.00 0.25 -0.26 0.00 -0.37 0.00 0.00 177.43 177.04 1jy7 h ALA 69 N 1.31 1.42 -0.26 1.57 0.00 -0.94 0.47 119.26 122.82 1jy7 h ALA 69 Ca 0.25 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.77 1jy7 h ALA 69 Cb 0.18 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1jy7 h ALA 69 CO -0.19 0.33 -0.44 0.28 0.00 0.00 0.00 179.25 179.23 1jy7 h VAL 70 N 0.00 1.30 0.58 0.00 2.07 0.37 -2.50 116.25 118.06 1jy7 h VAL 70 Ca -0.00 -1.63 -0.03 0.00 0.82 0.00 0.00 66.70 65.86 1jy7 h VAL 70 Cb 0.51 1.57 0.01 0.00 -1.52 0.00 0.00 31.29 31.86 1jy7 h VAL 70 CO 0.03 0.52 -0.28 0.00 0.02 0.00 0.00 177.57 177.87 1jy7 h ALA 71 N 0.97 -0.93 -0.30 1.67 0.00 0.12 -3.20 119.26 117.59 1jy7 h ALA 71 Ca 0.04 -0.17 -0.20 0.00 0.00 0.00 0.00 54.91 54.58 1jy7 h ALA 71 Cb 0.98 0.30 -0.09 0.00 0.00 0.00 0.00 17.79 18.98 1jy7 h ALA 71 CO 0.09 -0.87 0.26 0.72 0.00 0.00 0.00 179.25 179.45 1jy7 n HIS 72 N -4.70 0.96 -0.19 0.00 8.25 0.03 -4.62 115.22 114.95 1jy7 n HIS 72 Ca -0.10 -1.54 -0.03 0.00 -0.26 0.00 0.00 57.72 55.79 1jy7 n HIS 72 Cb 0.31 -0.76 0.04 0.00 1.12 0.00 0.00 29.99 30.70 1jy7 n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1jy7 h VAL 73 N 0.94 0.33 0.00 1.59 3.04 -1.44 0.09 116.25 120.79 1jy7 h VAL 73 Ca 0.18 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.87 1jy7 h VAL 73 Cb 1.00 0.33 0.00 0.00 -2.01 0.00 0.00 31.29 30.61 1jy7 h VAL 73 CO 0.46 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.49 1jy7 n ASP 74 N -5.42 0.02 -2.77 3.17 10.43 -1.26 -3.83 116.55 116.88 1jy7 n ASP 74 Ca 0.06 -0.45 -0.02 0.00 2.57 0.00 0.00 54.79 56.95 1jy7 n ASP 74 Cb 0.33 -0.01 0.02 0.00 1.84 0.00 0.00 41.12 43.30 1jy7 n ASP 74 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1jy7 s ASP 75 N -1.69 -0.65 -0.17 -2.24 3.68 0.02 -5.05 116.67 110.56 1jy7 s ASP 75 Ca 0.00 -0.60 0.03 0.00 2.13 0.00 0.00 52.55 54.11 1jy7 s ASP 75 Cb 0.00 0.84 -0.22 0.00 -1.45 0.00 0.00 42.92 42.09 1jy7 s ASP 75 CO 0.00 -0.04 0.15 0.23 0.13 0.00 0.00 175.17 175.64 1jy7 n MET 76 N 3.15 0.69 0.13 4.34 2.81 -1.22 -3.69 117.12 123.33 1jy7 n MET 76 Ca 0.11 0.18 0.08 0.00 -1.81 0.00 0.00 57.70 56.26 1jy7 n MET 76 Cb 0.62 -1.62 0.41 0.00 -0.71 0.00 0.00 33.22 31.91 1jy7 n MET 76 CO 0.00 0.00 0.00 -0.35 1.51 0.00 0.00 175.97 177.13 1jy7 n PRO 77 N -3.22 0.10 -0.13 0.03 -0.04 -1.26 -0.59 135.00 129.88 1jy7 n PRO 77 Ca -0.35 0.58 -0.28 0.00 -0.04 0.00 0.00 63.50 63.41 1jy7 n PRO 77 Cb 1.05 -1.93 -0.10 0.00 -0.04 0.00 0.00 33.50 32.48 1jy7 n PRO 77 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1jy7 n ASN 78 N -2.04 1.96 0.28 3.54 4.13 -1.26 -3.46 115.26 118.41 1jy7 n ASN 78 Ca -0.01 0.28 0.15 0.00 1.68 0.00 0.00 54.58 56.68 1jy7 n ASN 78 Cb 0.13 -0.78 0.78 0.00 -1.54 0.00 0.00 39.78 38.37 1jy7 n ASN 78 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jy7 h ALA 79 N -0.82 1.15 0.00 5.41 0.00 -1.40 -3.18 119.26 120.42 1jy7 h ALA 79 Ca -0.67 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.17 1jy7 h ALA 79 Cb 1.64 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1jy7 h ALA 79 CO -0.37 0.10 -0.69 1.28 0.00 0.00 0.00 179.25 179.58 1jy7 n LEU 80 N -3.41 0.40 0.20 0.00 4.77 0.24 -4.69 117.00 114.51 1jy7 n LEU 80 Ca -0.01 -0.40 0.04 0.00 -0.03 0.00 0.00 56.01 55.60 1jy7 n LEU 80 Cb 0.24 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.52 1jy7 n LEU 80 CO 0.28 0.10 0.83 0.77 -1.33 0.00 0.00 177.39 178.04 1jy7 h SER 81 N 0.00 0.00 0.28 -1.43 4.64 -1.58 0.45 113.55 115.91 1jy7 h SER 81 Ca 0.00 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.99 1jy7 h SER 81 Cb 0.30 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.42 1jy7 h SER 81 CO 0.00 0.00 -1.46 0.00 -0.87 0.00 0.00 176.83 174.50 1jy7 h ALA 82 N 0.52 -0.14 0.00 5.18 0.00 -1.83 -3.29 119.26 119.69 1jy7 h ALA 82 Ca 0.00 -0.86 -0.16 0.00 0.00 0.00 0.00 54.91 53.89 1jy7 h ALA 82 Cb 1.19 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 1jy7 h ALA 82 CO 0.00 0.71 -0.76 -0.07 0.00 0.00 0.00 179.25 179.13 1jy7 h LEU 83 N 0.15 0.00 0.25 0.00 3.38 -0.47 -3.22 115.31 115.40 1jy7 h LEU 83 Ca -0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 1jy7 h LEU 83 Cb 2.15 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.88 1jy7 h LEU 83 CO 0.27 0.76 -0.27 0.28 0.09 0.00 0.00 178.44 179.57 1jy7 h SER 84 N 0.00 -0.74 -0.78 -0.43 0.02 -1.52 0.74 113.55 110.84 1jy7 h SER 84 Ca -0.01 0.07 0.12 0.00 -0.84 0.00 0.00 61.79 61.13 1jy7 h SER 84 Cb 1.36 0.26 -0.08 0.00 0.14 0.00 0.00 62.40 64.07 1jy7 h SER 84 CO 0.10 -0.39 0.39 0.44 -1.14 0.00 0.00 176.83 176.23 1jy7 h ASP 85 N -0.56 0.49 0.43 3.07 3.32 -1.63 0.68 116.42 122.22 1jy7 h ASP 85 Ca -0.00 0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 1jy7 h ASP 85 Cb 0.53 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1jy7 h ASP 85 CO -0.07 0.25 -0.21 0.25 -1.72 0.00 0.00 179.24 177.74 1jy7 h LEU 86 N 0.62 -0.49 -0.46 1.55 5.85 -1.45 0.86 115.31 121.79 1jy7 h LEU 86 Ca 0.40 -0.10 -0.15 0.00 0.84 0.00 0.00 57.88 58.88 1jy7 h LEU 86 Cb 0.49 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.64 1jy7 h LEU 86 CO -0.31 -0.15 -0.32 0.45 -0.34 0.00 0.00 178.44 177.77 1jy7 h HIS 87 N -0.87 1.10 0.00 1.25 3.86 -0.68 0.34 115.15 120.16 1jy7 h HIS 87 Ca -0.06 -0.30 -0.02 0.00 -1.16 0.00 0.00 60.37 58.82 1jy7 h HIS 87 Cb 0.56 -0.24 -0.00 0.00 1.06 0.00 0.00 27.41 28.79 1jy7 h HIS 87 CO 0.01 1.12 -0.35 0.00 0.86 0.00 0.00 177.93 179.57 1jy7 h ALA 88 N 0.84 0.03 0.10 2.45 0.00 0.28 -1.46 119.26 121.50 1jy7 h ALA 88 Ca 0.08 -0.39 -0.30 0.00 0.00 0.00 0.00 54.91 54.30 1jy7 h ALA 88 Cb 0.90 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1jy7 h ALA 88 CO 0.08 0.30 -1.52 1.25 0.00 0.00 0.00 179.25 179.36 1jy7 h HIS 89 N -1.00 0.39 0.00 0.00 -0.00 -1.15 -2.90 115.15 110.49 1jy7 h HIS 89 Ca -0.04 -0.28 -0.12 0.00 -0.00 0.00 0.00 60.37 59.93 1jy7 h HIS 89 Cb 0.44 -0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.81 1jy7 h HIS 89 CO -0.07 1.34 -0.73 -0.22 -0.00 0.00 0.00 177.93 178.25 1jy7 h LYS 90 N 0.06 0.00 0.00 5.26 3.64 -0.76 -3.41 116.57 121.36 1jy7 h LYS 90 Ca -0.24 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 58.89 1jy7 h LYS 90 Cb 2.00 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.78 1jy7 h LYS 90 CO 0.15 0.84 -1.50 -0.07 -2.27 0.00 0.00 179.45 176.60 1jy7 h LEU 91 N -1.00 0.00 -2.81 5.20 3.38 -0.46 -3.50 115.31 116.13 1jy7 h LEU 91 Ca -0.19 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.55 1jy7 h LEU 91 Cb 1.05 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.87 1jy7 h LEU 91 CO -0.11 0.92 -0.57 0.54 0.09 0.00 0.00 178.44 179.30 1jy7 n ARG 92 N -3.08 -1.51 -2.98 1.13 1.74 -0.61 -4.96 116.66 106.40 1jy7 n ARG 92 Ca -0.12 1.00 -0.40 0.00 -0.77 0.00 0.00 57.85 57.56 1jy7 n ARG 92 Cb 0.99 -4.83 -0.05 0.00 -1.02 0.00 0.00 32.46 27.55 1jy7 n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1jy7 s VAL 93 N -3.19 4.83 -0.05 1.55 1.01 -0.86 -5.01 120.40 118.69 1jy7 s VAL 93 Ca 0.21 1.61 -0.30 0.00 0.00 0.00 0.00 61.98 63.51 1jy7 s VAL 93 Cb -0.05 -4.11 -0.07 0.00 0.00 0.00 0.00 36.38 32.15 1jy7 s VAL 93 CO 0.80 0.32 1.84 -0.62 0.00 0.00 0.00 175.10 177.43 1jy7 s ASP 94 N 0.27 6.44 0.39 3.32 -1.08 -1.26 -4.86 116.67 119.89 1jy7 s ASP 94 Ca 0.39 2.33 0.24 0.00 -0.52 0.00 0.00 52.55 55.00 1jy7 s ASP 94 Cb -0.20 -2.53 1.37 0.00 -1.46 0.00 0.00 42.92 40.10 1jy7 s ASP 94 CO 0.22 -1.11 1.59 -0.65 0.52 0.00 0.00 175.17 175.74 1jy7 h PRO 95 N 10.60 0.04 -0.67 4.34 0.11 -2.00 0.09 132.00 144.52 1jy7 h PRO 95 Ca -0.43 -0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.79 1jy7 h PRO 95 Cb 1.21 -0.01 -0.04 0.00 0.11 0.00 0.00 31.00 32.27 1jy7 h PRO 95 CO 0.95 0.03 0.45 -0.24 -0.21 0.00 0.00 178.00 178.97 1jy7 h VAL 96 N 0.04 0.87 -0.84 3.15 3.04 -2.02 -1.99 116.25 118.49 1jy7 h VAL 96 Ca 0.85 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 66.39 1jy7 h VAL 96 Cb 2.37 0.39 -0.04 0.00 -2.01 0.00 0.00 31.29 32.00 1jy7 h VAL 96 CO -0.65 0.08 0.54 0.78 -1.01 0.00 0.00 177.57 177.31 1jy7 h ASN 97 N 0.44 0.97 -0.36 3.17 -0.26 -1.35 -1.04 115.58 117.16 1jy7 h ASN 97 Ca 0.31 -0.03 0.08 0.00 -0.56 0.00 0.00 56.30 56.10 1jy7 h ASN 97 Cb 0.63 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.63 1jy7 h ASN 97 CO -0.10 0.72 0.25 -0.26 -1.06 0.00 0.00 177.43 176.98 1jy7 h PHE 98 N 1.14 0.12 -0.26 1.19 0.04 -1.52 0.43 116.94 118.08 1jy7 h PHE 98 Ca 0.30 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.97 1jy7 h PHE 98 Cb -0.11 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 37.99 1jy7 h PHE 98 CO 0.00 0.06 -0.28 0.87 -0.60 0.00 0.00 178.31 178.36 1jy7 h LYS 99 N 0.12 0.53 0.00 1.51 1.57 -1.27 -2.81 116.57 116.22 1jy7 h LYS 99 Ca 0.17 -0.22 -0.13 0.00 -1.87 0.00 0.00 60.65 58.60 1jy7 h LYS 99 Cb 0.51 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1jy7 h LYS 99 CO -0.02 0.76 -0.61 -0.07 -0.57 0.00 0.00 179.45 178.94 1jy7 h LEU 100 N 0.46 0.00 -0.01 2.94 3.38 -0.85 -2.85 115.31 118.37 1jy7 h LEU 100 Ca 0.06 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.86 1jy7 h LEU 100 Cb 0.73 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 1jy7 h LEU 100 CO 0.06 0.61 -0.80 0.25 0.09 0.00 0.00 178.44 178.64 1jy7 h LEU 101 N 0.00 0.00 -0.33 1.67 5.85 -1.29 -3.08 115.31 118.13 1jy7 h LEU 101 Ca -0.01 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.53 1jy7 h LEU 101 Cb 1.18 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.21 1jy7 h LEU 101 CO 0.08 0.80 -0.60 0.28 -0.34 0.00 0.00 178.44 178.66 1jy7 h SER 102 N 0.00 0.87 -0.27 1.25 0.02 -1.44 -2.13 113.55 111.85 1jy7 h SER 102 Ca -0.01 -0.49 -0.01 0.00 -0.84 0.00 0.00 61.79 60.44 1jy7 h SER 102 Cb 1.61 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.89 1jy7 h SER 102 CO 0.10 1.27 0.12 -0.74 -1.14 0.00 0.00 176.83 176.44 1jy7 h HIS 103 N 0.57 0.40 0.00 3.45 -0.00 -1.54 -2.23 115.15 115.79 1jy7 h HIS 103 Ca -0.00 -0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.29 1jy7 h HIS 103 Cb 1.20 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.41 28.48 1jy7 h HIS 103 CO 0.07 0.39 -0.24 0.00 -0.00 0.00 0.00 177.93 178.14 1jy7 h LEU 105 N 0.00 0.09 0.18 0.00 5.85 -1.02 -2.69 115.31 117.72 1jy7 h LEU 105 Ca -0.00 -0.06 -0.32 0.00 0.84 0.00 0.00 57.88 58.34 1jy7 h LEU 105 Cb 0.61 -0.03 0.03 0.00 0.37 0.00 0.00 40.66 41.65 1jy7 h LEU 105 CO 0.03 0.73 -1.36 -0.07 -0.34 0.00 0.00 178.44 177.43 1jy7 h LEU 106 N 0.05 0.85 -1.86 2.25 3.38 -0.85 -3.01 115.31 116.13 1jy7 h LEU 106 Ca -0.01 -0.85 0.02 0.00 0.09 0.00 0.00 57.88 57.14 1jy7 h LEU 106 Cb 1.18 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 1jy7 h LEU 106 CO 0.09 1.65 0.14 0.58 0.09 0.00 0.00 178.44 180.99 1jy7 h VAL 107 N 0.21 1.00 0.01 1.22 2.07 -1.15 -2.52 116.25 117.08 1jy7 h VAL 107 Ca -0.22 -0.07 -0.12 0.00 0.82 0.00 0.00 66.70 67.12 1jy7 h VAL 107 Cb 2.04 0.79 0.01 0.00 -1.52 0.00 0.00 31.29 32.61 1jy7 h VAL 107 CO 0.26 0.03 -0.46 0.74 0.02 0.00 0.00 177.57 178.16 1jy7 h THR 108 N 0.19 1.49 0.00 2.57 2.02 -1.51 -3.27 112.91 114.40 1jy7 h THR 108 Ca 0.09 -2.06 0.00 0.00 0.77 0.00 0.00 66.41 65.21 1jy7 h THR 108 Cb 0.11 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.24 1jy7 h THR 108 CO -0.02 0.58 0.00 -0.07 0.37 0.00 0.00 175.52 176.39 1jy7 h LEU 109 N -0.30 0.00 -2.54 2.58 4.07 -1.32 -1.53 115.31 116.28 1jy7 h LEU 109 Ca -0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.90 1jy7 h LEU 109 Cb 1.20 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.94 1jy7 h LEU 109 CO 0.09 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.45 1jy7 n ALA 110 N -1.89 2.37 0.18 1.53 0.00 -0.99 -2.49 120.51 119.22 1jy7 n ALA 110 Ca -0.01 -1.12 0.03 0.00 0.00 0.00 0.00 53.44 52.33 1jy7 n ALA 110 Cb 0.11 -0.81 -0.04 0.00 0.00 0.00 0.00 19.45 18.71 1jy7 n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jy7 n ALA 111 N 1.39 2.58 0.02 0.00 0.00 -0.60 -4.43 120.51 119.47 1jy7 n ALA 111 Ca 0.20 -0.16 0.02 0.00 0.00 0.00 0.00 53.44 53.50 1jy7 n ALA 111 Cb 0.58 -0.21 -0.03 0.00 0.00 0.00 0.00 19.45 19.79 1jy7 n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1jy7 n HIS 112 N -1.32 0.00 -3.09 0.00 -0.00 -1.06 -4.80 115.22 104.97 1jy7 n HIS 112 Ca 0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.72 57.52 1jy7 n HIS 112 Cb 0.11 -0.07 -0.03 0.00 -0.00 0.00 0.00 29.99 30.00 1jy7 n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1jy7 n LEU 113 N -1.55 2.03 0.10 2.41 4.77 -1.04 -4.89 117.00 118.84 1jy7 n LEU 113 Ca -0.00 -5.18 0.10 0.00 -0.03 0.00 0.00 56.01 50.89 1jy7 n LEU 113 Cb 0.08 0.30 0.44 0.00 -2.33 0.00 0.00 43.42 41.92 1jy7 n LEU 113 CO 0.07 2.29 0.80 -0.81 -1.33 0.00 0.00 177.39 178.41 1jy7 n PRO 114 N 0.10 0.14 0.06 3.23 -0.04 -1.26 -1.04 135.00 136.18 1jy7 n PRO 114 Ca 0.27 0.44 -0.09 0.00 -0.04 0.00 0.00 63.50 64.08 1jy7 n PRO 114 Cb 0.58 -1.80 -0.13 0.00 -0.04 0.00 0.00 33.50 32.12 1jy7 n PRO 114 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1jy7 h ALA 115 N 2.23 0.35 0.05 0.55 0.00 -1.94 -3.35 119.26 117.15 1jy7 h ALA 115 Ca 0.00 -0.96 -0.33 0.00 0.00 0.00 0.00 54.91 53.61 1jy7 h ALA 115 Cb 0.25 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1jy7 h ALA 115 CO 0.00 1.24 -1.93 0.39 0.00 0.00 0.00 179.25 178.95 1jy7 n GLU 116 N -3.35 0.69 -1.87 0.00 -0.58 -0.45 -4.79 120.64 110.29 1jy7 n GLU 116 Ca -0.03 0.25 -0.22 0.00 -0.42 0.00 0.00 57.16 56.73 1jy7 n GLU 116 Cb 0.97 -1.72 -0.08 0.00 -0.57 0.00 0.00 31.44 30.04 1jy7 n GLU 116 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 1jy7 s PHE 117 N -2.57 1.61 0.27 -0.32 5.36 -0.21 -4.75 117.98 117.38 1jy7 s PHE 117 Ca -0.14 1.23 0.08 0.00 -0.96 0.00 0.00 56.93 57.14 1jy7 s PHE 117 Cb 0.07 -3.73 -0.04 0.00 -0.34 0.00 0.00 43.02 38.98 1jy7 s PHE 117 CO 0.79 -1.15 0.15 0.95 -1.46 0.00 0.00 175.22 174.49 1jy7 s THR 118 N 13.18 3.93 0.30 0.12 -4.23 -1.26 -4.90 115.64 122.78 1jy7 s THR 118 Ca 0.75 -1.57 0.06 0.00 -1.18 0.00 0.00 61.69 59.75 1jy7 s THR 118 Cb -0.04 -3.18 0.30 0.00 1.34 0.00 0.00 72.50 70.91 1jy7 s THR 118 CO 0.12 -0.32 1.75 -0.65 -0.54 0.00 0.00 174.62 174.98 1jy7 h PRO 119 N 1.58 0.64 -0.48 3.99 0.11 -1.98 0.56 132.00 136.41 1jy7 h PRO 119 Ca -0.46 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.50 1jy7 h PRO 119 Cb 1.24 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1jy7 h PRO 119 CO 0.61 0.42 -0.13 0.00 -0.21 0.00 0.00 178.00 178.69 1jy7 h ALA 120 N 1.67 0.87 0.03 -0.75 0.00 -1.95 -1.07 119.26 118.05 1jy7 h ALA 120 Ca 0.59 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 1jy7 h ALA 120 Cb 1.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1jy7 h ALA 120 CO -0.43 0.64 -0.01 0.28 0.00 0.00 0.00 179.25 179.73 1jy7 h VAL 121 N 0.80 1.38 -0.91 0.00 2.07 -1.41 -3.05 116.25 115.14 1jy7 h VAL 121 Ca 0.13 -1.82 0.25 0.00 0.82 0.00 0.00 66.70 66.08 1jy7 h VAL 121 Cb 0.65 2.51 -0.14 0.00 -1.52 0.00 0.00 31.29 32.79 1jy7 h VAL 121 CO 0.05 0.43 0.33 -0.74 0.02 0.00 0.00 177.57 177.66 1jy7 h HIS 122 N -0.90 0.53 -0.10 1.57 6.17 0.03 0.38 115.15 122.83 1jy7 h HIS 122 Ca -0.00 0.05 -0.08 0.00 0.71 0.00 0.00 60.37 61.04 1jy7 h HIS 122 Cb 0.73 -0.09 -0.01 0.00 2.52 0.00 0.00 27.41 30.56 1jy7 h HIS 122 CO 0.19 -0.17 -0.33 0.00 0.71 0.00 0.00 177.93 178.33 1jy7 h ALA 123 N 1.78 1.28 0.08 5.26 0.00 -1.24 -3.02 119.26 123.40 1jy7 h ALA 123 Ca 0.59 -0.34 -0.26 0.00 0.00 0.00 0.00 54.91 54.90 1jy7 h ALA 123 Cb 1.22 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.95 1jy7 h ALA 123 CO -0.62 0.50 -1.08 0.77 0.00 0.00 0.00 179.25 178.82 1jy7 h SER 124 N 0.16 0.81 0.53 0.00 0.02 -0.17 -3.07 113.55 111.84 1jy7 h SER 124 Ca 0.02 -0.81 -0.04 0.00 -0.84 0.00 0.00 61.79 60.12 1jy7 h SER 124 Cb 0.66 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.94 1jy7 h SER 124 CO 0.05 1.53 -0.20 -0.07 -1.14 0.00 0.00 176.83 176.99 1jy7 h LEU 125 N 0.20 0.00 0.03 5.07 4.07 -1.31 -0.97 115.31 122.39 1jy7 h LEU 125 Ca -0.16 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.80 1jy7 h LEU 125 Cb 1.76 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.50 1jy7 h LEU 125 CO 0.21 0.20 -0.01 -0.78 -1.08 0.00 0.00 178.44 176.98 1jy7 h ASP 126 N 0.00 -0.03 -0.57 -0.43 1.82 -1.57 -0.74 116.42 114.91 1jy7 h ASP 126 Ca -0.00 -0.49 0.06 0.00 -0.39 0.00 0.00 57.03 56.21 1jy7 h ASP 126 Cb 0.53 0.01 -0.05 0.00 0.68 0.00 0.00 39.33 40.49 1jy7 h ASP 126 CO 0.03 0.49 0.27 0.11 -1.61 0.00 0.00 179.24 178.52 1jy7 h LYS 127 N -0.56 0.49 0.72 0.28 1.57 -1.39 0.27 116.57 117.95 1jy7 h LYS 127 Ca -0.00 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 1jy7 h LYS 127 Cb 0.52 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 1jy7 h LYS 127 CO 0.01 0.32 -0.45 0.35 -0.57 0.00 0.00 179.45 179.11 1jy7 h PHE 128 N 0.50 -1.20 -0.20 -1.35 3.57 -1.15 -1.85 116.94 115.26 1jy7 h PHE 128 Ca 0.26 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.81 1jy7 h PHE 128 Cb 0.22 0.43 -0.01 0.00 2.79 0.00 0.00 35.95 39.38 1jy7 h PHE 128 CO -0.12 -0.67 0.19 -0.07 -2.23 0.00 0.00 178.31 175.41 1jy7 h LEU 129 N -1.10 0.00 0.51 0.59 3.38 -0.96 -1.15 115.31 116.58 1jy7 h LEU 129 Ca -0.10 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.85 1jy7 h LEU 129 Cb 0.88 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1jy7 h LEU 129 CO 0.09 0.00 -0.24 0.00 0.09 0.00 0.00 178.44 178.38 1jy7 h ALA 130 N 1.82 -0.68 0.39 1.53 0.00 -0.40 -2.44 119.26 119.47 1jy7 h ALA 130 Ca 0.10 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1jy7 h ALA 130 Cb 0.47 0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1jy7 h ALA 130 CO -0.00 -0.85 -0.47 0.77 0.00 0.00 0.00 179.25 178.69 1jy7 h SER 131 N -0.75 -1.32 -1.48 0.00 0.02 -0.42 -1.94 113.55 107.66 1jy7 h SER 131 Ca -0.07 0.12 0.45 0.00 -0.84 0.00 0.00 61.79 61.44 1jy7 h SER 131 Cb 0.55 0.45 -0.09 0.00 0.14 0.00 0.00 62.40 63.45 1jy7 h SER 131 CO 0.11 -0.61 1.02 0.58 -1.14 0.00 0.00 176.83 176.80 1jy7 h VAL 132 N -0.89 0.18 -0.01 2.27 2.07 -1.37 0.38 116.25 118.86 1jy7 h VAL 132 Ca -0.04 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.41 1jy7 h VAL 132 Cb 0.81 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1jy7 h VAL 132 CO -0.11 0.01 -0.19 0.28 0.02 0.00 0.00 177.57 177.58 1jy7 h SER 133 N 0.06 0.19 -0.44 0.57 0.02 -0.86 -2.72 113.55 110.38 1jy7 h SER 133 Ca 0.79 -0.73 0.09 0.00 -0.84 0.00 0.00 61.79 61.10 1jy7 h SER 133 Cb 2.82 -0.06 -0.08 0.00 0.14 0.00 0.00 62.40 65.21 1jy7 h SER 133 CO -0.19 0.89 -0.12 0.74 -1.14 0.00 0.00 176.83 177.01 1jy7 h THR 134 N -0.49 0.55 -0.71 -2.27 2.02 0.16 -0.34 112.91 111.83 1jy7 h THR 134 Ca -0.02 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.29 1jy7 h THR 134 Cb 0.91 0.55 -0.09 0.00 -1.74 0.00 0.00 68.15 67.78 1jy7 h THR 134 CO 0.04 0.00 0.26 0.58 0.37 0.00 0.00 175.52 176.76 1jy7 h VAL 135 N -0.01 0.66 0.00 3.16 2.07 -1.25 0.49 116.25 121.38 1jy7 h VAL 135 Ca 0.21 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 1jy7 h VAL 135 Cb 0.33 0.23 -0.00 0.00 -1.52 0.00 0.00 31.29 30.32 1jy7 h VAL 135 CO -0.46 0.07 -0.06 -0.07 0.02 0.00 0.00 177.57 177.07 1jy7 h LEU 136 N 0.40 0.00 -2.74 2.57 3.38 -0.77 -2.67 115.31 115.48 1jy7 h LEU 136 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1jy7 h LEU 136 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1jy7 h LEU 136 CO -0.39 0.06 0.00 0.35 0.09 0.00 0.00 178.44 178.55 1jy7 n THR 137 N -3.16 0.93 -0.26 0.22 -2.24 -0.58 -4.12 114.28 105.07 1jy7 n THR 137 Ca 0.01 -0.97 0.04 0.00 -2.27 0.00 0.00 64.05 60.86 1jy7 n THR 137 Cb 0.40 0.56 0.09 0.00 -2.10 0.00 0.00 70.33 69.28 1jy7 n THR 137 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1jy7 n SER 138 N 1.17 -0.29 -1.87 3.42 3.41 0.06 -1.29 113.62 118.23 1jy7 n SER 138 Ca 0.19 1.24 -0.12 0.00 -0.26 0.00 0.00 58.87 59.92 1jy7 n SER 138 Cb 0.54 -0.36 -0.03 0.00 -0.26 0.00 0.00 64.21 64.09 1jy7 n SER 138 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1jy7 n LYS 139 N -5.16 1.67 0.00 4.33 3.00 -1.26 -2.93 118.16 117.81 1jy7 n LYS 139 Ca 0.11 -1.06 0.00 0.00 -0.00 0.00 0.00 58.31 57.36 1jy7 n LYS 139 Cb 0.35 -1.56 0.00 0.00 0.00 0.00 0.00 35.03 33.82 1jy7 n LYS 139 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1jy7 n TYR 140 N 1.22 0.00 0.66 5.64 0.53 -0.41 -4.92 117.16 119.88 1jy7 n TYR 140 Ca 0.25 0.00 0.08 0.00 -1.02 0.00 0.00 57.90 57.21 1jy7 n TYR 140 Cb 0.61 0.00 0.07 0.00 -1.03 0.00 0.00 39.34 38.99 1jy7 n TYR 140 CO 0.00 0.00 0.00 0.54 -1.02 0.00 0.00 176.86 176.38