#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j0r s SER 7 N 0.00 0.01 -0.08 0.55 0.15 -1.26 -5.06 113.70 108.01 1j0r s SER 7 Ca 0.00 0.10 0.12 0.00 0.70 0.00 0.00 55.95 56.88 1j0r s SER 7 Cb 0.00 0.01 0.24 0.00 -1.71 0.00 0.00 66.02 64.56 1j0r s SER 7 CO 0.00 -0.11 1.11 -1.54 1.20 0.00 0.00 173.24 173.90 1j0r n SER 8 N 3.97 1.26 -4.92 5.45 3.41 -1.26 -5.04 113.62 116.49 1j0r n SER 8 Ca -0.25 -2.70 -0.20 0.00 -0.26 0.00 0.00 58.87 55.46 1j0r n SER 8 Cb 0.52 -0.35 -0.02 0.00 -0.26 0.00 0.00 64.21 64.10 1j0r n SER 8 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1j0r s THR 9 N -1.55 4.09 -4.38 6.66 -4.23 -1.26 -4.94 115.64 110.03 1j0r s THR 9 Ca 0.23 -1.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.57 1j0r s THR 9 Cb 0.22 -3.39 0.00 0.00 1.34 0.00 0.00 72.50 70.67 1j0r s THR 9 CO -0.03 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.46 1j0r n GLY 10 N -1.47 0.99 0.00 3.99 0.00 -1.26 -5.10 105.19 102.34 1j0r n GLY 10 Ca -0.03 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 44.00 1j0r n GLY 10 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1j0r n PHE 11 N -0.08 0.00 -2.77 1.61 7.35 -1.26 -5.03 117.46 117.29 1j0r n PHE 11 Ca 0.00 0.00 -0.20 0.00 -0.76 0.00 0.00 57.45 56.49 1j0r n PHE 11 Cb 0.00 0.00 0.04 0.00 0.35 0.00 0.00 39.48 39.87 1j0r n PHE 11 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 1j0r s LEU 12 N 0.00 3.31 0.39 -2.13 1.43 -1.26 -4.69 118.68 115.73 1j0r s LEU 12 Ca 0.00 -0.26 -0.26 0.00 -1.03 0.00 0.00 54.13 52.58 1j0r s LEU 12 Cb 0.00 -2.56 -0.09 0.00 0.03 0.00 0.00 46.19 43.58 1j0r s LEU 12 CO 0.00 -1.17 1.21 0.54 0.23 0.00 0.00 176.35 177.16 1j0r s VAL 13 N -2.70 3.00 0.56 -1.59 0.11 -1.26 -5.02 120.40 113.50 1j0r s VAL 13 Ca 0.58 0.88 -0.14 0.00 -2.93 0.00 0.00 61.98 60.37 1j0r s VAL 13 Cb -0.09 -3.51 -0.06 0.00 -1.53 0.00 0.00 36.38 31.19 1j0r s VAL 13 CO 0.38 0.11 1.00 -0.54 -3.33 0.00 0.00 175.10 172.73 1j0r s LYS 14 N -2.18 3.80 0.27 1.54 1.02 -1.26 -4.93 119.74 118.00 1j0r s LYS 14 Ca 0.55 0.87 -0.03 0.00 0.02 0.00 0.00 55.97 57.39 1j0r s LYS 14 Cb -0.33 -2.11 0.36 0.00 -0.52 0.00 0.00 37.83 35.23 1j0r s LYS 14 CO 0.43 -0.40 1.88 0.37 -0.92 0.00 0.00 175.35 176.70 1j0r h GLN 15 N 0.40 1.04 -0.56 1.68 4.15 -1.99 -1.64 115.11 118.19 1j0r h GLN 15 Ca -0.46 -0.13 -0.04 0.00 0.77 0.00 0.00 58.65 58.79 1j0r h GLN 15 Cb 1.19 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 28.66 1j0r h GLN 15 CO 0.62 0.79 0.20 0.00 -1.93 0.00 0.00 178.83 178.51 1j0r h ARG 16 N 1.04 0.85 -0.67 1.69 2.47 -1.94 -0.90 114.38 116.92 1j0r h ARG 16 Ca 0.26 -0.17 -0.05 0.00 -1.26 0.00 0.00 59.98 58.76 1j0r h ARG 16 Cb 0.08 -0.13 -0.03 0.00 -1.65 0.00 0.00 29.97 28.24 1j0r h ARG 16 CO -0.04 0.75 0.22 0.00 0.56 0.00 0.00 179.97 181.47 1j0r h ALA 17 N 1.05 0.88 -0.19 0.04 0.00 -1.87 0.37 119.26 119.54 1j0r h ALA 17 Ca 0.18 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1j0r h ALA 17 Cb 0.24 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1j0r h ALA 17 CO -0.01 0.55 0.11 0.35 0.00 0.00 0.00 179.25 180.25 1j0r h PHE 18 N 0.98 0.26 -0.36 0.00 3.57 -1.00 -1.52 116.94 118.86 1j0r h PHE 18 Ca 0.22 -0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.57 1j0r h PHE 18 Cb 0.29 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 1j0r h PHE 18 CO 0.02 0.22 -0.35 -0.07 -2.23 0.00 0.00 178.31 175.90 1j0r h LEU 19 N 0.22 0.88 -1.21 0.59 3.38 -0.98 -2.91 115.31 115.28 1j0r h LEU 19 Ca 0.07 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1j0r h LEU 19 Cb 0.04 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 1j0r h LEU 19 CO -0.01 1.14 0.47 0.11 0.09 0.00 0.00 178.44 180.24 1j0r h LYS 20 N 0.69 1.00 0.28 1.13 1.57 -0.75 -1.03 116.57 119.47 1j0r h LYS 20 Ca 0.07 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1j0r h LYS 20 Cb 0.91 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 1j0r h LYS 20 CO 0.08 0.69 -0.23 1.25 -0.57 0.00 0.00 179.45 180.67 1j0r h LEU 21 N 1.03 -0.59 -0.96 2.94 5.85 -1.09 -1.70 115.31 120.79 1j0r h LEU 21 Ca 0.27 0.05 0.07 0.00 0.84 0.00 0.00 57.88 59.11 1j0r h LEU 21 Cb -0.07 0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.08 1j0r h LEU 21 CO -0.05 -0.34 0.61 1.88 -0.34 0.00 0.00 178.44 180.19 1j0r h TYR 22 N -0.52 1.13 -0.54 1.25 0.05 -1.27 -1.37 116.97 115.70 1j0r h TYR 22 Ca -0.02 0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.76 1j0r h TYR 22 Cb 0.46 -0.37 -0.03 0.00 1.01 0.00 0.00 36.73 37.81 1j0r h TYR 22 CO -0.14 0.56 0.19 0.52 -1.05 0.00 0.00 178.16 178.24 1j0r h MET 23 N 1.09 0.80 -0.36 4.88 2.86 -0.82 0.14 114.93 123.51 1j0r h MET 23 Ca 0.43 -0.13 -0.13 0.00 -2.06 0.00 0.00 59.70 57.80 1j0r h MET 23 Cb 0.22 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 1j0r h MET 23 CO -0.19 0.68 -0.29 0.82 1.06 0.00 0.00 176.91 178.99 1j0r h ILE 24 N 0.79 1.28 -0.49 -1.22 2.04 -0.50 -0.35 117.51 119.06 1j0r h ILE 24 Ca 0.18 -1.45 -0.11 0.00 1.00 0.00 0.00 64.86 64.48 1j0r h ILE 24 Cb 0.20 1.42 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 1j0r h ILE 24 CO -0.01 0.48 -0.14 0.74 0.00 0.00 0.00 178.15 179.22 1j0r h THR 25 N 0.62 1.27 -0.80 -0.27 2.02 -0.88 -0.47 112.91 114.39 1j0r h THR 25 Ca 0.06 -1.29 -0.04 0.00 0.77 0.00 0.00 66.41 65.92 1j0r h THR 25 Cb 0.87 1.09 -0.04 0.00 -1.74 0.00 0.00 68.15 68.33 1j0r h THR 25 CO 0.08 0.45 0.34 0.24 0.37 0.00 0.00 175.52 176.99 1j0r h MET 26 N 0.81 1.18 -0.37 6.66 2.86 -0.62 -0.80 114.93 124.65 1j0r h MET 26 Ca 0.12 -0.20 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 1j0r h MET 26 Cb 0.70 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 1j0r h MET 26 CO 0.05 0.93 0.06 1.15 1.06 0.00 0.00 176.91 180.17 1j0r h THR 27 N 1.15 1.24 -0.93 2.22 2.02 -0.85 -0.11 112.91 117.64 1j0r h THR 27 Ca 0.27 -0.84 0.16 0.00 0.77 0.00 0.00 66.41 66.77 1j0r h THR 27 Cb 0.18 1.07 -0.08 0.00 -1.74 0.00 0.00 68.15 67.58 1j0r h THR 27 CO -0.03 0.29 0.60 -0.33 0.37 0.00 0.00 175.52 176.42 1j0r h GLU 28 N 0.46 0.67 -0.51 6.66 5.08 -0.45 0.23 114.58 126.73 1j0r h GLU 28 Ca 0.11 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1j0r h GLU 28 Cb 0.36 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1j0r h GLU 28 CO 0.01 0.45 0.00 1.04 -1.00 0.00 0.00 179.01 179.50 1j0r n GLN 29 N -4.60 2.27 -3.35 2.33 6.02 -0.36 -4.92 117.38 114.76 1j0r n GLN 29 Ca 0.19 -1.53 -0.24 0.00 -0.01 0.00 0.00 57.00 55.41 1j0r n GLN 29 Cb 0.52 -1.48 0.02 0.00 1.02 0.00 0.00 30.24 30.32 1j0r n GLN 29 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 1j0r n GLU 30 N 0.59 -4.35 -0.40 -1.09 1.02 0.80 -4.86 120.64 112.35 1j0r n GLU 30 Ca 0.14 0.64 0.07 0.00 -0.02 0.00 0.00 57.16 57.99 1j0r n GLU 30 Cb 0.46 -5.44 0.11 0.00 -0.02 0.00 0.00 31.44 26.55 1j0r n GLU 30 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1j0r n ARG 31 N -4.02 0.96 -3.33 3.49 1.85 -0.13 -4.98 116.66 110.50 1j0r n ARG 31 Ca -0.04 -2.35 -0.46 0.00 -1.00 0.00 0.00 57.85 54.01 1j0r n ARG 31 Cb 0.56 -1.18 -0.05 0.00 -1.05 0.00 0.00 32.46 30.74 1j0r n ARG 31 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1j0r s LEU 32 N -2.10 6.24 0.09 2.89 0.20 -1.23 -4.88 118.68 119.90 1j0r s LEU 32 Ca 0.27 -1.96 0.08 0.00 0.69 0.00 0.00 54.13 53.21 1j0r s LEU 32 Cb 0.25 -2.19 -0.04 0.00 -0.43 0.00 0.00 46.19 43.78 1j0r s LEU 32 CO -0.01 -0.80 -0.16 -0.31 -0.29 0.00 0.00 176.35 174.78 1j0r s TYR 33 N 1.33 2.59 0.12 5.38 2.02 -1.26 -2.19 117.35 125.33 1j0r s TYR 33 Ca 0.06 -0.24 -0.17 0.00 -0.37 0.00 0.00 57.07 56.36 1j0r s TYR 33 Cb -0.26 -1.40 -0.03 0.00 -0.40 0.00 0.00 41.96 39.86 1j0r s TYR 33 CO 0.01 0.36 1.62 0.78 -1.57 0.00 0.00 175.55 176.74 1j0r h GLY 34 N 3.95 0.60 0.00 0.71 0.00 -1.77 -3.08 103.07 103.49 1j0r h GLY 34 Ca -0.49 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.47 1j0r h GLY 34 CO 0.48 0.35 0.00 1.04 0.00 0.00 0.00 176.54 178.40 1j0r n LEU 35 N -4.62 0.00 0.31 3.11 4.77 -1.26 -3.34 117.00 115.98 1j0r n LEU 35 Ca -0.01 0.95 0.19 0.00 -0.03 0.00 0.00 56.01 57.11 1j0r n LEU 35 Cb 0.19 -0.45 1.07 0.00 -2.33 0.00 0.00 43.42 41.90 1j0r n LEU 35 CO 0.38 -0.45 1.16 0.11 -1.33 0.00 0.00 177.39 177.25 1j0r h LYS 36 N 0.00 0.00 0.00 3.23 1.79 -1.98 -3.40 116.57 116.21 1j0r h LYS 36 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1j0r h LYS 36 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1j0r h LYS 36 CO 0.00 0.00 0.00 -0.11 -1.08 0.00 0.00 179.45 178.26 1j0r n LEU 37 N -3.40 0.00 -0.28 2.94 7.94 -1.16 0.34 117.00 123.38 1j0r n LEU 37 Ca -0.03 0.12 0.09 0.00 -1.11 0.00 0.00 56.01 55.08 1j0r n LEU 37 Cb 0.11 0.00 0.24 0.00 0.53 0.00 0.00 43.42 44.30 1j0r n LEU 37 CO 0.23 0.00 0.99 0.25 -1.11 0.00 0.00 177.39 177.75 1j0r h LEU 38 N 0.00 0.17 -0.47 -1.96 5.85 -1.82 0.30 115.31 117.37 1j0r h LEU 38 Ca 0.00 0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.80 1j0r h LEU 38 Cb 0.00 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1j0r h LEU 38 CO 0.00 -0.01 0.03 -0.33 -0.34 0.00 0.00 178.44 177.78 1j0r h GLU 39 N 0.34 0.82 -0.65 1.25 3.07 -1.60 -0.82 114.58 116.99 1j0r h GLU 39 Ca 0.49 -0.25 -0.03 0.00 -0.50 0.00 0.00 59.36 59.07 1j0r h GLU 39 Cb 0.87 -0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.67 1j0r h GLU 39 CO -0.52 0.86 0.28 0.28 -1.40 0.00 0.00 179.01 178.51 1j0r h VAL 40 N 0.68 1.23 0.01 3.13 2.07 0.12 -0.08 116.25 123.40 1j0r h VAL 40 Ca 0.14 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 1j0r h VAL 40 Cb 0.47 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1j0r h VAL 40 CO 0.02 0.28 -0.01 -0.07 0.02 0.00 0.00 177.57 177.81 1j0r h LEU 41 N 0.91 -0.01 -1.50 2.57 4.07 -0.83 -1.34 115.31 119.17 1j0r h LEU 41 Ca 0.22 -0.21 -0.00 0.00 0.08 0.00 0.00 57.88 57.97 1j0r h LEU 41 Cb 0.17 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.89 1j0r h LEU 41 CO -0.02 0.20 0.25 0.03 -1.08 0.00 0.00 178.44 177.83 1j0r h ARG 42 N -0.23 0.59 -0.07 1.13 3.08 -1.02 -0.95 114.38 116.91 1j0r h ARG 42 Ca -0.00 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 59.87 1j0r h ARG 42 Cb 0.22 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1j0r h ARG 42 CO 0.00 0.42 -0.55 1.03 -1.07 0.00 0.00 179.97 179.80 1j0r h SER 43 N 0.60 0.21 0.97 7.04 0.87 -0.83 -1.77 113.55 120.64 1j0r h SER 43 Ca 0.16 -0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.58 1j0r h SER 43 Cb -0.01 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1j0r h SER 43 CO -0.03 0.72 -0.13 -0.08 -0.53 0.00 0.00 176.83 176.78 1j0r h GLU 44 N 0.15 0.00 -0.04 2.24 4.57 -0.00 -3.29 114.58 118.21 1j0r h GLU 44 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1j0r h GLU 44 Cb 1.02 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.61 1j0r h GLU 44 CO 0.08 0.13 0.00 1.19 -1.18 0.00 0.00 179.01 179.24 1j0r n PHE 45 N -3.28 0.05 0.21 0.92 3.72 -0.95 -4.69 117.46 113.44 1j0r n PHE 45 Ca 0.00 -0.25 0.08 0.00 -0.05 0.00 0.00 57.45 57.23 1j0r n PHE 45 Cb 0.38 -0.02 0.43 0.00 -0.94 0.00 0.00 39.48 39.32 1j0r n PHE 45 CO 0.00 0.00 0.00 1.57 -0.05 0.00 0.00 176.76 178.28 1j0r h LYS 46 N 0.42 0.00 0.19 -1.08 5.09 -1.39 -1.31 116.57 118.48 1j0r h LYS 46 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.73 1j0r h LYS 46 Cb 0.32 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.65 1j0r h LYS 46 CO 0.00 0.28 -0.09 1.49 -2.09 0.00 0.00 179.45 179.04 1j0r h GLU 47 N 0.00 -0.25 -0.52 0.07 4.57 -1.83 -3.20 114.58 113.42 1j0r h GLU 47 Ca -0.00 0.02 -0.12 0.00 -1.18 0.00 0.00 59.36 58.07 1j0r h GLU 47 Cb 0.77 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.40 1j0r h GLU 47 CO 0.04 0.00 -0.16 0.82 -1.18 0.00 0.00 179.01 178.53 1j0r h ILE 48 N -0.49 1.27 0.00 2.32 5.03 -1.87 -3.47 117.51 120.29 1j0r h ILE 48 Ca -0.03 -1.33 0.00 0.00 -0.12 0.00 0.00 64.86 63.39 1j0r h ILE 48 Cb 0.37 1.04 0.00 0.00 -3.03 0.00 0.00 36.82 35.20 1j0r h ILE 48 CO 0.04 0.46 0.00 0.61 -0.68 0.00 0.00 178.15 178.59 1j0r n GLY 49 N -0.19 0.89 3.60 5.37 0.00 -0.64 -5.12 105.19 109.10 1j0r n GLY 49 Ca 0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 1j0r n GLY 49 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1j0r s PHE 50 N -1.52 3.23 -0.56 1.61 5.36 -0.59 -4.99 117.98 120.53 1j0r s PHE 50 Ca 0.00 0.05 -0.03 0.00 -0.96 0.00 0.00 56.93 55.98 1j0r s PHE 50 Cb 0.00 -2.26 0.15 0.00 -0.34 0.00 0.00 43.02 40.56 1j0r s PHE 50 CO 0.00 -0.06 0.37 0.21 -1.46 0.00 0.00 175.22 174.28 1j0r s LYS 51 N 1.23 2.42 -0.14 10.12 2.20 -1.26 -4.01 119.74 130.30 1j0r s LYS 51 Ca 0.06 -2.28 -0.40 0.00 -0.36 0.00 0.00 55.97 53.00 1j0r s LYS 51 Cb -0.14 -3.72 -0.17 0.00 -1.51 0.00 0.00 37.83 32.29 1j0r s LYS 51 CO 0.05 -1.15 1.52 -2.30 -0.36 0.00 0.00 175.35 173.11 1j0r n PRO 52 N 3.91 0.91 -1.80 4.03 -0.02 -1.26 -4.88 135.00 135.89 1j0r n PRO 52 Ca 0.04 0.33 -0.37 0.00 -2.02 0.00 0.00 63.50 61.48 1j0r n PRO 52 Cb 0.39 -1.96 0.06 0.00 -0.02 0.00 0.00 33.50 31.97 1j0r n PRO 52 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1j0r s ASN 53 N 2.04 4.73 0.09 2.55 2.47 -1.26 -4.92 114.94 120.64 1j0r s ASN 53 Ca 0.93 2.59 -0.19 0.00 0.42 0.00 0.00 52.86 56.61 1j0r s ASN 53 Cb -1.09 -2.62 -0.08 0.00 -1.45 0.00 0.00 41.25 36.01 1j0r s ASN 53 CO 0.60 -1.92 1.56 -0.74 -3.72 0.00 0.00 177.10 172.88 1j0r h HIS 54 N 0.64 0.42 0.00 0.43 6.17 -2.00 -2.77 115.15 118.04 1j0r h HIS 54 Ca -0.51 -0.06 0.00 0.00 0.71 0.00 0.00 60.37 60.51 1j0r h HIS 54 Cb 1.33 -0.12 0.00 0.00 2.52 0.00 0.00 27.41 31.14 1j0r h HIS 54 CO 0.42 0.52 0.00 1.79 0.71 0.00 0.00 177.93 181.37 1j0r h THR 55 N 0.20 0.00 -0.15 6.26 1.35 -2.00 -3.03 112.91 115.55 1j0r h THR 55 Ca 0.07 -0.79 -0.12 0.00 -0.55 0.00 0.00 66.41 65.02 1j0r h THR 55 Cb 0.32 1.78 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 1j0r h THR 55 CO 0.00 0.00 -0.39 -0.08 -0.25 0.00 0.00 175.52 174.81 1j0r h GLU 56 N 0.00 0.53 -0.20 4.72 4.57 -1.91 -1.36 114.58 120.92 1j0r h GLU 56 Ca 0.00 -0.37 -0.00 0.00 -1.18 0.00 0.00 59.36 57.81 1j0r h GLU 56 Cb 0.83 0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 29.47 1j0r h GLU 56 CO 0.00 0.98 0.11 0.28 -1.18 0.00 0.00 179.01 179.20 1j0r h VAL 57 N 0.16 1.11 -0.48 0.32 2.07 -1.49 -0.40 116.25 117.54 1j0r h VAL 57 Ca -0.01 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 1j0r h VAL 57 Cb 1.00 0.94 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 1j0r h VAL 57 CO 0.08 0.11 0.29 0.22 0.02 0.00 0.00 177.57 178.29 1j0r h TYR 58 N 0.22 0.64 -0.20 1.57 3.20 -1.55 -2.21 116.97 118.64 1j0r h TYR 58 Ca 0.07 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.83 1j0r h TYR 58 Cb 0.07 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.12 1j0r h TYR 58 CO -0.04 0.45 -0.32 0.00 -1.64 0.00 0.00 178.16 176.61 1j0r h ARG 59 N 0.64 0.42 0.30 1.82 3.08 -1.08 -2.11 114.38 117.45 1j0r h ARG 59 Ca 0.17 -0.18 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 1j0r h ARG 59 Cb 0.00 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.04 1j0r h ARG 59 CO -0.03 0.70 -0.14 0.77 -1.07 0.00 0.00 179.97 180.19 1j0r h SER 60 N 0.36 -0.34 -0.39 7.04 0.02 -0.84 -1.48 113.55 117.93 1j0r h SER 60 Ca 0.04 -0.06 0.08 0.00 -0.84 0.00 0.00 61.79 61.01 1j0r h SER 60 Cb 0.75 0.09 -0.07 0.00 0.14 0.00 0.00 62.40 63.30 1j0r h SER 60 CO 0.06 -0.15 -0.05 0.25 -1.14 0.00 0.00 176.83 175.80 1j0r h LEU 61 N -0.51 -0.27 -1.01 5.07 5.85 -1.32 -2.07 115.31 121.05 1j0r h LEU 61 Ca -0.04 0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 1j0r h LEU 61 Cb 0.38 0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.62 1j0r h LEU 61 CO 0.07 -0.09 -0.06 0.45 -0.34 0.00 0.00 178.44 178.47 1j0r h HIS 62 N 0.05 0.00 -0.05 1.25 3.86 -1.33 -1.50 115.15 117.43 1j0r h HIS 62 Ca 0.19 0.00 -0.21 0.00 -1.16 0.00 0.00 60.37 59.19 1j0r h HIS 62 Cb 0.28 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.76 1j0r h HIS 62 CO -0.31 0.06 -0.84 0.93 0.86 0.00 0.00 177.93 178.63 1j0r h GLU 63 N 0.00 0.48 -0.44 2.45 5.08 -0.74 0.26 114.58 121.66 1j0r h GLU 63 Ca -0.00 -0.44 -0.09 0.00 -1.00 0.00 0.00 59.36 57.82 1j0r h GLU 63 Cb 0.70 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 1j0r h GLU 63 CO 0.01 1.09 -0.10 -0.07 -1.00 0.00 0.00 179.01 178.93 1j0r h LEU 64 N 0.30 0.78 0.27 1.33 3.38 -0.96 0.14 115.31 120.55 1j0r h LEU 64 Ca -0.06 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.67 1j0r h LEU 64 Cb 1.46 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1j0r h LEU 64 CO 0.15 0.91 -0.13 -0.07 0.09 0.00 0.00 178.44 179.39 1j0r h LEU 65 N 0.72 -0.31 -1.93 1.67 3.38 -1.11 -1.26 115.31 116.47 1j0r h LEU 65 Ca 0.12 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1j0r h LEU 65 Cb 0.59 0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.41 1j0r h LEU 65 CO 0.04 0.14 -0.01 0.44 0.09 0.00 0.00 178.44 179.14 1j0r h ASP 66 N -0.86 0.03 -0.02 -0.43 3.32 -0.45 -0.83 116.42 117.18 1j0r h ASP 66 Ca -0.04 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 1j0r h ASP 66 Cb 0.51 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1j0r h ASP 66 CO 0.06 0.04 0.00 0.47 -1.72 0.00 0.00 179.24 178.10 1j0r n ASP 67 N -4.51 0.36 -0.01 6.45 9.92 0.48 -4.90 116.55 124.34 1j0r n ASP 67 Ca -0.03 -1.35 -0.00 0.00 -0.53 0.00 0.00 54.79 52.88 1j0r n ASP 67 Cb 0.11 -0.01 -0.00 0.00 -0.64 0.00 0.00 41.12 40.57 1j0r n ASP 67 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1j0r n GLY 68 N 0.93 0.39 0.11 0.44 0.00 -0.32 -4.92 105.19 101.82 1j0r n GLY 68 Ca 0.17 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 46.00 1j0r n GLY 68 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1j0r h ILE 69 N 0.00 1.55 -1.92 -0.61 2.04 -1.45 -3.06 117.51 114.06 1j0r h ILE 69 Ca -0.00 -2.31 -0.56 0.00 1.00 0.00 0.00 64.86 62.98 1j0r h ILE 69 Cb 0.24 3.04 -0.09 0.00 -0.74 0.00 0.00 36.82 39.27 1j0r h ILE 69 CO 0.00 0.64 -0.58 -0.76 0.00 0.00 0.00 178.15 177.45 1j0r s LEU 70 N -8.14 3.13 0.04 1.44 1.43 -0.96 0.25 118.68 115.85 1j0r s LEU 70 Ca -0.15 -0.86 -0.05 0.00 -1.03 0.00 0.00 54.13 52.04 1j0r s LEU 70 Cb 0.01 -1.56 -0.01 0.00 0.03 0.00 0.00 46.19 44.66 1j0r s LEU 70 CO 0.79 -0.25 0.08 -1.59 0.23 0.00 0.00 176.35 175.61 1j0r s LYS 71 N -3.77 0.56 0.07 1.70 -2.85 0.25 -4.45 119.74 111.25 1j0r s LYS 71 Ca 0.36 -0.75 0.05 0.00 -1.00 0.00 0.00 55.97 54.62 1j0r s LYS 71 Cb -0.02 0.22 -0.04 0.00 -2.06 0.00 0.00 37.83 35.93 1j0r s LYS 71 CO 0.21 -0.13 -0.04 1.14 0.10 0.00 0.00 175.35 176.63 1j0r s GLN 72 N -2.53 2.46 -0.10 1.78 -2.07 -1.26 -0.02 119.66 117.91 1j0r s GLN 72 Ca -0.06 -0.85 0.01 0.00 -1.82 0.00 0.00 55.36 52.64 1j0r s GLN 72 Cb -0.02 -2.48 0.02 0.00 -1.09 0.00 0.00 33.01 29.44 1j0r s GLN 72 CO -0.04 0.55 -0.12 0.42 -1.32 0.00 0.00 175.29 174.78 1j0r s ILE 73 N -1.22 1.25 -0.81 3.63 1.01 0.39 -4.96 121.20 120.48 1j0r s ILE 73 Ca 0.23 -0.48 -0.11 0.00 0.00 0.00 0.00 60.65 60.30 1j0r s ILE 73 Cb -0.11 -1.18 0.21 0.00 0.01 0.00 0.00 42.46 41.39 1j0r s ILE 73 CO 0.15 0.39 0.73 -0.54 0.00 0.00 0.00 174.94 175.67 1j0r s LYS 74 N 1.19 3.41 0.26 2.79 1.02 -1.26 -0.80 119.74 126.35 1j0r s LYS 74 Ca -0.04 -2.59 -0.30 0.00 0.02 0.00 0.00 55.97 53.07 1j0r s LYS 74 Cb -0.14 -4.26 -0.09 0.00 -0.52 0.00 0.00 37.83 32.81 1j0r s LYS 74 CO -0.03 -1.26 1.13 0.08 -0.92 0.00 0.00 175.35 174.34 1j0r s VAL 75 N -0.10 3.50 -0.60 3.17 1.01 -0.03 -4.83 120.40 122.53 1j0r s VAL 75 Ca 0.19 1.44 -0.07 0.00 0.00 0.00 0.00 61.98 63.55 1j0r s VAL 75 Cb -0.12 -3.92 0.16 0.00 0.00 0.00 0.00 36.38 32.50 1j0r s VAL 75 CO -0.08 0.32 0.45 -0.75 0.00 0.00 0.00 175.10 175.04 1j0r s LYS 76 N -1.15 2.68 0.71 2.72 2.20 -1.26 -0.45 119.74 125.19 1j0r s LYS 76 Ca 0.47 -2.23 -0.11 0.00 -0.36 0.00 0.00 55.97 53.73 1j0r s LYS 76 Cb -0.32 -3.90 0.02 0.00 -1.51 0.00 0.00 37.83 32.11 1j0r s LYS 76 CO 0.40 -1.19 1.09 0.15 -0.36 0.00 0.00 175.35 175.44 1j0r s LYS 77 N 0.50 2.77 -0.04 4.03 -0.14 -0.91 -5.00 119.74 120.95 1j0r s LYS 77 Ca 0.13 0.39 0.03 0.00 -1.36 0.00 0.00 55.97 55.17 1j0r s LYS 77 Cb -0.20 -2.03 0.00 0.00 -1.68 0.00 0.00 37.83 33.92 1j0r s LYS 77 CO -0.04 -1.07 -0.13 -2.00 -0.76 0.00 0.00 175.35 171.35 1j0r s GLU 78 N -5.36 1.45 -1.47 1.68 2.12 -1.26 -4.73 118.70 111.13 1j0r s GLU 78 Ca 0.58 -0.46 -0.08 0.00 0.36 0.00 0.00 54.97 55.38 1j0r s GLU 78 Cb -0.11 -1.27 0.03 0.00 0.26 0.00 0.00 34.13 33.04 1j0r s GLU 78 CO 0.51 0.16 0.78 0.41 -0.54 0.00 0.00 175.26 176.58 1j0r n GLY 79 N 3.32 -0.52 3.81 -1.50 0.00 -1.26 -4.97 105.19 104.06 1j0r n GLY 79 Ca -0.19 0.16 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 1j0r n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j0r s ALA 80 N -3.19 4.07 -0.02 4.61 0.00 -1.26 -5.05 121.76 120.92 1j0r s ALA 80 Ca 0.45 -1.22 -0.24 0.00 0.00 0.00 0.00 51.96 50.94 1j0r s ALA 80 Cb -0.21 -0.37 -0.20 0.00 0.00 0.00 0.00 23.12 22.34 1j0r s ALA 80 CO 0.55 -0.23 1.20 -0.22 0.00 0.00 0.00 175.76 177.07 1j0r h LYS 81 N 1.15 0.14 -6.01 0.00 3.64 -1.98 -3.43 116.57 110.08 1j0r h LYS 81 Ca -0.41 -0.10 -0.68 0.00 -1.27 0.00 0.00 60.65 58.20 1j0r h LYS 81 Cb 1.29 0.01 -0.17 0.00 -0.41 0.00 0.00 32.23 32.95 1j0r h LYS 81 CO 0.67 0.69 -0.66 -0.51 -2.27 0.00 0.00 179.45 177.37 1j0r s LEU 82 N -8.96 3.37 0.43 5.20 1.02 -1.26 -5.00 118.68 113.48 1j0r s LEU 82 Ca -0.16 0.05 0.23 0.00 0.02 0.00 0.00 54.13 54.27 1j0r s LEU 82 Cb 0.02 -1.76 0.33 0.00 0.02 0.00 0.00 46.19 44.80 1j0r s LEU 82 CO 0.71 0.36 1.60 -0.61 0.02 0.00 0.00 176.35 178.43 1j0r h GLN 83 N 5.30 0.00 -3.01 1.70 5.75 -1.87 -3.41 115.11 119.57 1j0r h GLN 83 Ca -0.49 0.00 -0.42 0.00 -0.15 0.00 0.00 58.65 57.59 1j0r h GLN 83 Cb 1.18 0.00 -0.40 0.00 1.07 0.00 0.00 27.48 29.34 1j0r h GLN 83 CO 0.54 0.01 -0.73 -2.00 -2.65 0.00 0.00 178.83 174.01 1j0r s GLU 84 N -3.21 0.06 -0.35 1.69 2.12 -1.26 -2.13 118.70 115.63 1j0r s GLU 84 Ca 0.07 0.05 -0.12 0.00 0.36 0.00 0.00 54.97 55.33 1j0r s GLU 84 Cb 0.05 -1.49 -0.00 0.00 0.26 0.00 0.00 34.13 32.95 1j0r s GLU 84 CO 0.67 -0.61 0.22 0.08 -0.54 0.00 0.00 175.26 175.08 1j0r s VAL 85 N 2.18 4.94 -0.24 3.70 1.01 0.41 -4.92 120.40 127.48 1j0r s VAL 85 Ca 0.03 -0.46 -0.20 0.00 0.00 0.00 0.00 61.98 61.34 1j0r s VAL 85 Cb -0.15 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 1j0r s VAL 85 CO -0.08 -0.07 0.63 -0.69 0.00 0.00 0.00 175.10 174.88 1j0r s VAL 86 N 1.65 5.00 0.25 2.92 1.01 -1.26 -0.85 120.40 129.11 1j0r s VAL 86 Ca 0.05 1.15 0.01 0.00 0.00 0.00 0.00 61.98 63.19 1j0r s VAL 86 Cb -0.18 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 1j0r s VAL 86 CO 0.08 0.06 0.10 -1.48 0.00 0.00 0.00 175.10 173.86 1j0r s LEU 87 N 2.31 1.54 -0.03 3.92 0.05 0.02 -2.02 118.68 124.46 1j0r s LEU 87 Ca 0.27 -1.39 0.05 0.00 0.05 0.00 0.00 54.13 53.11 1j0r s LEU 87 Cb -0.16 0.09 -0.01 0.00 -2.05 0.00 0.00 46.19 44.07 1j0r s LEU 87 CO 0.09 -0.75 -0.17 -0.31 -0.55 0.00 0.00 176.35 174.66 1j0r s TYR 88 N -3.83 1.58 0.21 3.48 1.51 -0.93 -0.46 117.35 118.90 1j0r s TYR 88 Ca 0.38 -0.38 0.03 0.00 -1.01 0.00 0.00 57.07 56.09 1j0r s TYR 88 Cb 0.08 -1.04 -0.05 0.00 -0.11 0.00 0.00 41.96 40.83 1j0r s TYR 88 CO 0.13 -0.10 -0.01 -0.65 -1.11 0.00 0.00 175.55 173.82 1j0r s GLN 89 N -0.15 1.25 0.21 -0.62 -0.21 0.97 -4.79 119.66 116.32 1j0r s GLN 89 Ca 0.01 -1.62 -0.30 0.00 0.02 0.00 0.00 55.36 53.47 1j0r s GLN 89 Cb -0.09 -0.52 -0.08 0.00 1.00 0.00 0.00 33.01 33.31 1j0r s GLN 89 CO 0.01 -0.09 1.13 -0.06 -2.12 0.00 0.00 175.29 174.16 1j0r s PHE 90 N -3.48 3.54 -0.19 0.91 0.08 -1.26 0.84 117.98 118.42 1j0r s PHE 90 Ca 0.26 1.58 0.08 0.00 0.12 0.00 0.00 56.93 58.98 1j0r s PHE 90 Cb 0.05 -3.32 -0.17 0.00 -0.57 0.00 0.00 43.02 39.01 1j0r s PHE 90 CO 0.07 -0.76 -0.06 1.17 -0.10 0.00 0.00 175.22 175.53 1j0r n LYS 91 N 2.06 0.94 -3.48 0.44 4.81 0.14 -4.73 118.16 118.34 1j0r n LYS 91 Ca 0.02 0.05 -0.28 0.00 -0.87 0.00 0.00 58.31 57.24 1j0r n LYS 91 Cb 0.45 -1.42 -0.11 0.00 0.02 0.00 0.00 35.03 33.97 1j0r n LYS 91 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1j0r s ASP 92 N -5.51 2.31 0.49 3.14 -1.08 -1.00 -4.99 116.67 110.03 1j0r s ASP 92 Ca -0.18 -2.83 0.23 0.00 -0.52 0.00 0.00 52.55 49.24 1j0r s ASP 92 Cb 0.06 -0.56 1.26 0.00 -1.46 0.00 0.00 42.92 42.21 1j0r s ASP 92 CO 0.59 -0.21 2.03 0.22 0.52 0.00 0.00 175.17 178.31 1j0r h TYR 93 N 6.11 0.00 -0.29 -5.34 3.20 -1.86 -2.46 116.97 116.33 1j0r h TYR 93 Ca 0.18 0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.99 1j0r h TYR 93 Cb 0.92 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.18 1j0r h TYR 93 CO 0.36 0.16 -0.02 0.93 -1.64 0.00 0.00 178.16 177.96 1j0r h GLU 94 N 0.00 0.53 -0.74 1.82 4.39 -1.97 -1.74 114.58 116.87 1j0r h GLU 94 Ca -0.00 -0.18 -0.01 0.00 0.34 0.00 0.00 59.36 59.52 1j0r h GLU 94 Cb 0.36 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.94 1j0r h GLU 94 CO 0.02 0.69 0.44 0.00 -1.16 0.00 0.00 179.01 179.00 1j0r h ALA 95 N 0.82 1.38 -0.10 3.43 0.00 -1.89 -1.83 119.26 121.07 1j0r h ALA 95 Ca 0.08 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1j0r h ALA 95 Cb 0.46 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1j0r h ALA 95 CO 0.02 0.53 0.04 0.00 0.00 0.00 0.00 179.25 179.84 1j0r h ALA 96 N 1.46 0.13 -0.24 0.00 0.00 -1.09 -0.57 119.26 118.94 1j0r h ALA 96 Ca 0.27 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1j0r h ALA 96 Cb -0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1j0r h ALA 96 CO -0.05 -0.31 0.04 0.87 0.00 0.00 0.00 179.25 179.81 1j0r h LYS 97 N 0.02 0.35 -0.41 0.00 1.57 -1.04 0.65 116.57 117.71 1j0r h LYS 97 Ca 0.03 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.71 1j0r h LYS 97 Cb 0.14 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1j0r h LYS 97 CO -0.00 0.34 0.05 1.25 -0.57 0.00 0.00 179.45 180.52 1j0r h LEU 98 N 0.34 0.66 -0.03 2.94 6.46 -0.91 -1.46 115.31 123.31 1j0r h LEU 98 Ca 0.08 -0.27 -0.00 0.00 -0.12 0.00 0.00 57.88 57.57 1j0r h LEU 98 Cb 0.17 -0.18 -0.00 0.00 -0.73 0.00 0.00 40.66 39.92 1j0r h LEU 98 CO -0.00 0.76 0.02 0.22 -0.62 0.00 0.00 178.44 178.82 1j0r h TYR 99 N 0.53 0.05 -0.65 1.25 3.20 -0.11 -2.22 116.97 119.02 1j0r h TYR 99 Ca 0.12 -0.00 0.13 0.00 3.14 0.00 0.00 58.73 62.12 1j0r h TYR 99 Cb 0.39 -0.01 -0.10 0.00 1.54 0.00 0.00 36.73 38.55 1j0r h TYR 99 CO 0.03 0.13 0.13 0.87 -1.64 0.00 0.00 178.16 177.67 1j0r h LYS 100 N -0.05 0.24 -0.83 1.82 1.57 -0.71 0.09 116.57 118.70 1j0r h LYS 100 Ca 0.01 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1j0r h LYS 100 Cb 0.10 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 1j0r h LYS 100 CO -0.00 0.16 0.41 0.87 -0.57 0.00 0.00 179.45 180.31 1j0r h LYS 101 N 0.25 1.19 -0.50 3.15 1.79 -1.05 -0.43 116.57 120.97 1j0r h LYS 101 Ca 0.35 -0.17 -0.03 0.00 -2.18 0.00 0.00 60.65 58.61 1j0r h LYS 101 Cb 0.55 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 30.96 1j0r h LYS 101 CO -0.45 0.91 0.19 1.96 -1.08 0.00 0.00 179.45 180.98 1j0r h GLN 102 N 1.18 0.76 -0.61 3.15 1.08 -0.59 -2.58 115.11 117.50 1j0r h GLN 102 Ca 0.29 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 1j0r h GLN 102 Cb 0.11 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.39 1j0r h GLN 102 CO -0.04 0.68 0.40 -0.07 -0.95 0.00 0.00 178.83 178.85 1j0r h LEU 103 N 0.67 0.70 -0.62 1.46 -0.00 -0.54 -1.60 115.31 115.38 1j0r h LEU 103 Ca 0.17 -0.02 -0.00 0.00 -0.00 0.00 0.00 57.88 58.03 1j0r h LEU 103 Cb 0.21 -0.17 -0.03 0.00 -0.00 0.00 0.00 40.66 40.67 1j0r h LEU 103 CO -0.01 0.51 0.39 0.50 -0.00 0.00 0.00 178.44 179.83 1j0r h LYS 104 N 0.82 0.83 -0.03 1.13 1.63 -0.69 0.64 116.57 120.90 1j0r h LYS 104 Ca 0.22 -0.07 -0.00 0.00 -0.85 0.00 0.00 60.65 59.95 1j0r h LYS 104 Cb -0.09 -0.18 -0.00 0.00 -0.60 0.00 0.00 32.23 31.36 1j0r h LYS 104 CO -0.05 0.58 0.02 0.28 -3.45 0.00 0.00 179.45 176.83 1j0r h VAL 105 N 0.84 1.03 -0.26 2.00 2.07 -1.12 -0.10 116.25 120.71 1j0r h VAL 105 Ca 0.22 -0.09 0.05 0.00 0.82 0.00 0.00 66.70 67.71 1j0r h VAL 105 Cb -0.05 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 1j0r h VAL 105 CO -0.04 0.03 -0.03 -0.33 0.02 0.00 0.00 177.57 177.21 1j0r h GLU 106 N 0.01 0.04 -0.79 1.57 4.39 -0.96 -0.91 114.58 117.92 1j0r h GLU 106 Ca 0.01 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1j0r h GLU 106 Cb 0.03 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.63 1j0r h GLU 106 CO -0.00 0.03 0.47 -0.07 -1.16 0.00 0.00 179.01 178.28 1j0r h LEU 107 N 0.04 0.96 -0.54 1.33 3.38 -0.62 0.55 115.31 120.41 1j0r h LEU 107 Ca 0.13 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.97 1j0r h LEU 107 Cb 0.18 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 1j0r h LEU 107 CO -0.24 0.75 0.12 0.44 0.09 0.00 0.00 178.44 179.59 1j0r h ASP 108 N 1.09 0.84 -0.60 -0.43 3.32 -0.54 -0.86 116.42 119.23 1j0r h ASP 108 Ca 0.28 -0.24 -0.08 0.00 0.02 0.00 0.00 57.03 57.01 1j0r h ASP 108 Cb -0.03 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 1j0r h ASP 108 CO -0.05 0.87 0.08 -0.09 -1.72 0.00 0.00 179.24 178.32 1j0r h ARG 109 N 0.78 1.01 -0.62 3.56 2.43 -0.89 -1.94 114.38 118.71 1j0r h ARG 109 Ca 0.17 -0.28 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 1j0r h ARG 109 Cb 0.37 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.78 1j0r h ARG 109 CO 0.01 0.96 0.36 0.77 -1.51 0.00 0.00 179.97 180.55 1j0r h SER 110 N 0.91 0.76 -0.00 -3.80 0.02 -0.58 -0.57 113.55 110.29 1j0r h SER 110 Ca 0.18 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1j0r h SER 110 Cb 0.45 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.80 1j0r h SER 110 CO 0.02 0.61 0.00 0.50 -1.14 0.00 0.00 176.83 176.82 1j0r h LYS 111 N 0.84 0.00 -0.36 3.45 3.64 -0.99 -0.23 116.57 122.92 1j0r h LYS 111 Ca 0.22 -0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.65 1j0r h LYS 111 Cb 0.01 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.78 1j0r h LYS 111 CO -0.04 0.02 0.07 0.87 -2.27 0.00 0.00 179.45 178.11 1j0r h LYS 112 N -0.02 0.19 -0.30 1.90 1.57 -1.05 0.36 116.57 119.22 1j0r h LYS 112 Ca 0.00 -0.01 0.04 0.00 -1.87 0.00 0.00 60.65 58.81 1j0r h LYS 112 Cb 0.02 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 1j0r h LYS 112 CO -0.00 0.13 0.07 1.25 -0.57 0.00 0.00 179.45 180.32 1j0r h LEU 113 N 0.20 0.03 -0.46 2.94 5.85 -0.87 0.14 115.31 123.14 1j0r h LEU 113 Ca 0.17 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.89 1j0r h LEU 113 Cb 0.19 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1j0r h LEU 113 CO -0.22 0.05 0.09 0.40 -0.34 0.00 0.00 178.44 178.42 1j0r h ILE 114 N 0.18 1.24 -0.65 4.05 2.04 -0.62 -2.16 117.51 121.59 1j0r h ILE 114 Ca 0.14 -0.87 -0.01 0.00 1.00 0.00 0.00 64.86 65.12 1j0r h ILE 114 Cb 0.14 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 1j0r h ILE 114 CO -0.17 0.31 0.38 -0.33 0.00 0.00 0.00 178.15 178.33 1j0r h GLU 115 N 0.62 0.89 -0.60 2.37 5.08 -0.52 -1.58 114.58 120.84 1j0r h GLU 115 Ca 0.14 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.38 1j0r h GLU 115 Cb 0.36 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 1j0r h GLU 115 CO 0.01 0.65 0.24 -0.22 -1.00 0.00 0.00 179.01 178.68 1j0r h LYS 116 N 0.88 0.90 -0.49 2.33 3.64 -0.63 -2.21 116.57 121.00 1j0r h LYS 116 Ca 0.23 -0.17 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 1j0r h LYS 116 Cb -0.00 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 1j0r h LYS 116 CO -0.04 0.77 0.13 0.00 -2.27 0.00 0.00 179.45 178.04 1j0r h ALA 117 N 1.09 1.30 -0.10 5.00 0.00 -0.97 0.12 119.26 125.70 1j0r h ALA 117 Ca 0.20 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1j0r h ALA 117 Cb 0.21 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 1j0r h ALA 117 CO -0.02 0.49 -0.01 -0.07 0.00 0.00 0.00 179.25 179.65 1j0r h LEU 118 N 0.72 0.18 -0.49 0.00 3.38 -0.99 -2.29 115.31 115.82 1j0r h LEU 118 Ca 0.16 -0.34 -0.17 0.00 0.09 0.00 0.00 57.88 57.62 1j0r h LEU 118 Cb 0.26 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1j0r h LEU 118 CO -0.00 0.48 -0.71 0.77 0.09 0.00 0.00 178.44 179.07 1j0r h SER 119 N -0.12 0.33 0.84 -0.43 4.64 -1.24 -0.99 113.55 116.58 1j0r h SER 119 Ca 0.03 -0.22 -0.13 0.00 -0.47 0.00 0.00 61.79 61.00 1j0r h SER 119 Cb 0.39 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.37 1j0r h SER 119 CO 0.01 0.93 -0.62 0.44 -0.87 0.00 0.00 176.83 176.72 1j0r h ASP 120 N 0.19 0.00 -0.00 4.97 3.32 -0.80 -3.35 116.42 120.75 1j0r h ASP 120 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1j0r h ASP 120 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 1j0r h ASP 120 CO 0.11 0.62 -0.34 0.59 -1.72 0.00 0.00 179.24 178.50 1j0r n ASN 121 N -3.59 0.37 0.00 6.45 3.02 -0.86 -5.08 115.26 115.58 1j0r n ASN 121 Ca -0.00 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.86 1j0r n ASN 121 Cb 0.66 0.98 0.00 0.00 -0.61 0.00 0.00 39.78 40.81 1j0r n ASN 121 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13