#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jm3 n SER 2 N 0.00 3.85 -4.76 1.61 7.64 -1.26 -4.94 113.62 115.76 2jm3 n SER 2 Ca 0.00 -2.83 -0.38 0.00 1.01 0.00 0.00 58.87 56.67 2jm3 n SER 2 Cb 0.00 -1.61 -0.06 0.00 -1.01 0.00 0.00 64.21 61.53 2jm3 n SER 2 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2jm3 s MET 3 N 3.65 4.23 1.12 1.43 -2.45 -1.26 -5.08 119.30 120.93 2jm3 s MET 3 Ca 0.50 0.48 -0.18 0.00 -1.25 0.00 0.00 55.69 55.24 2jm3 s MET 3 Cb 0.12 -3.36 0.26 0.00 1.25 0.00 0.00 34.83 33.10 2jm3 s MET 3 CO -0.03 0.34 1.20 -1.25 1.05 0.00 0.00 175.02 176.33 2jm3 s PRO 4 N -0.00 -0.60 -0.15 4.11 0.04 -1.26 -5.04 135.00 132.10 2jm3 s PRO 4 Ca 0.26 -0.24 -0.11 0.00 0.04 0.00 0.00 61.00 60.95 2jm3 s PRO 4 Cb -0.16 -1.68 -0.05 0.00 0.04 0.00 0.00 34.50 32.65 2jm3 s PRO 4 CO 0.12 -3.27 0.23 0.99 0.04 0.00 0.00 177.00 175.11 2jm3 s THR 5 N -3.36 5.35 -0.50 1.26 2.01 -1.26 -5.04 115.64 114.10 2jm3 s THR 5 Ca 0.73 0.40 -0.26 0.00 0.31 0.00 0.00 61.69 62.87 2jm3 s THR 5 Cb -0.07 -3.54 0.03 0.00 0.01 0.00 0.00 72.50 68.93 2jm3 s THR 5 CO 0.55 0.48 0.97 -0.89 -0.69 0.00 0.00 174.62 175.03 2jm3 s THR 6 N -0.06 4.38 0.37 -0.82 2.01 -1.26 -5.01 115.64 115.25 2jm3 s THR 6 Ca 0.15 0.66 -0.28 0.00 0.31 0.00 0.00 61.69 62.53 2jm3 s THR 6 Cb -0.13 -4.51 -0.11 0.00 0.01 0.00 0.00 72.50 67.77 2jm3 s THR 6 CO 0.03 -0.98 1.38 0.00 -0.69 0.00 0.00 174.62 174.37 2jm3 n GLY 8 N 0.62 -0.62 3.77 0.00 0.00 0.12 -4.88 105.19 104.20 2jm3 n GLY 8 Ca 0.03 -0.29 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 2jm3 n GLY 8 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2jm3 s PHE 9 N -2.02 2.91 0.51 1.61 5.36 -1.26 -4.92 117.98 120.17 2jm3 s PHE 9 Ca 0.44 1.52 0.17 0.00 -0.96 0.00 0.00 56.93 58.10 2jm3 s PHE 9 Cb 0.22 -3.43 1.28 0.00 -0.34 0.00 0.00 43.02 40.75 2jm3 s PHE 9 CO 0.36 -1.56 2.13 -1.00 -1.46 0.00 0.00 175.22 173.70 2jm3 h PRO 10 N 2.28 0.00 -1.09 10.12 0.13 -1.89 -3.36 132.00 138.19 2jm3 h PRO 10 Ca -0.49 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.49 2jm3 h PRO 10 Cb 1.25 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.19 2jm3 h PRO 10 CO 0.61 0.03 -0.50 1.21 -0.23 0.00 0.00 178.00 179.12 2jm3 s ASN 11 N -6.96 -1.28 -0.34 1.44 2.47 -1.26 -5.12 114.94 103.89 2jm3 s ASN 11 Ca -0.05 -1.45 -0.27 0.00 0.42 0.00 0.00 52.86 51.51 2jm3 s ASN 11 Cb 0.17 1.79 0.02 0.00 -1.45 0.00 0.00 41.25 41.77 2jm3 s ASN 11 CO 0.66 -0.10 0.99 0.00 -3.72 0.00 0.00 177.10 174.93 2jm3 n LYS 13 N 6.81 1.68 -0.07 0.00 2.85 -1.26 -3.82 118.16 124.34 2jm3 n LYS 13 Ca 0.09 -1.02 -0.12 0.00 -1.05 0.00 0.00 58.31 56.21 2jm3 n LYS 13 Cb 0.48 -1.35 -0.15 0.00 -0.65 0.00 0.00 35.03 33.36 2jm3 n LYS 13 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 177.40 178.54 2jm3 n PHE 14 N 0.26 0.39 0.05 5.58 3.72 -1.26 -2.26 117.46 123.94 2jm3 n PHE 14 Ca 0.15 0.12 -0.19 0.00 -0.05 0.00 0.00 57.45 57.48 2jm3 n PHE 14 Cb 0.29 -1.06 -0.09 0.00 -0.94 0.00 0.00 39.48 37.68 2jm3 n PHE 14 CO 0.00 0.00 0.00 0.07 -0.05 0.00 0.00 176.76 176.78 2jm3 h ARG 15 N 0.01 0.65 -0.09 -1.08 0.11 -1.95 -3.09 114.38 108.94 2jm3 h ARG 15 Ca -0.47 -0.70 0.00 0.00 0.10 0.00 0.00 59.98 58.91 2jm3 h ARG 15 Cb 2.11 0.20 0.00 0.00 1.11 0.00 0.00 29.97 33.39 2jm3 h ARG 15 CO 0.03 1.28 0.00 0.43 0.10 0.00 0.00 179.97 181.81 2jm3 n SER 16 N -3.83 0.72 0.25 0.08 7.64 -1.25 -3.05 113.62 114.19 2jm3 n SER 16 Ca -0.10 -1.67 0.16 0.00 1.01 0.00 0.00 58.87 58.27 2jm3 n SER 16 Cb 0.87 -0.06 0.64 0.00 -1.01 0.00 0.00 64.21 64.65 2jm3 n SER 16 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2jm3 h ARG 17 N 0.91 0.00 -6.04 1.43 1.12 -1.36 -3.44 114.38 107.00 2jm3 h ARG 17 Ca 0.00 0.00 -0.57 0.00 -1.11 0.00 0.00 59.98 58.30 2jm3 h ARG 17 Cb 0.20 0.00 -0.10 0.00 -0.01 0.00 0.00 29.97 30.07 2jm3 h ARG 17 CO 0.00 0.00 -0.59 0.71 -3.11 0.00 0.00 179.97 176.98 2jm3 s TYR 18 N -3.59 2.61 -0.04 2.20 1.51 -1.17 -5.07 117.35 113.80 2jm3 s TYR 18 Ca 0.02 -0.42 0.02 0.00 -1.01 0.00 0.00 57.07 55.68 2jm3 s TYR 18 Cb 0.09 -1.55 -0.25 0.00 -0.11 0.00 0.00 41.96 40.13 2jm3 s TYR 18 CO 0.52 0.42 0.67 0.00 -1.11 0.00 0.00 175.55 176.05 2jm3 h ARG 19 N 1.71 0.15 -0.86 -0.62 2.47 -1.86 -3.38 114.38 111.99 2jm3 h ARG 19 Ca -0.43 -0.26 -0.54 0.00 -1.26 0.00 0.00 59.98 57.48 2jm3 h ARG 19 Cb 1.25 0.10 -0.43 0.00 -1.65 0.00 0.00 29.97 29.24 2jm3 h ARG 19 CO 0.66 0.91 -0.82 0.41 0.56 0.00 0.00 179.97 181.69 2jm3 n GLY 20 N 1.71 6.11 3.70 0.04 0.00 -1.26 -4.94 105.19 110.55 2jm3 n GLY 20 Ca -0.20 -2.61 -0.26 0.00 0.00 0.00 0.00 46.02 42.95 2jm3 n GLY 20 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2jm3 n LEU 21 N -0.66 -3.04 -4.56 0.99 4.77 -1.26 -4.86 117.00 108.38 2jm3 n LEU 21 Ca 0.41 -0.94 -0.37 0.00 -0.03 0.00 0.00 56.01 55.08 2jm3 n LEU 21 Cb 0.91 -2.50 -0.04 0.00 -2.33 0.00 0.00 43.42 39.46 2jm3 n LEU 21 CO 0.37 0.42 1.44 -1.61 -1.33 0.00 0.00 177.39 176.68 2jm3 s GLU 22 N -5.95 3.31 -0.12 3.23 8.01 -1.26 -4.85 118.70 121.06 2jm3 s GLU 22 Ca 0.26 -0.88 -0.02 0.00 0.01 0.00 0.00 54.97 54.34 2jm3 s GLU 22 Cb -0.08 -5.26 -0.07 0.00 -4.31 0.00 0.00 34.13 24.41 2jm3 s GLU 22 CO 0.84 -2.52 1.48 -0.25 0.01 0.00 0.00 175.26 174.82 2jm3 n ASP 23 N 10.26 1.84 -1.87 -0.19 9.92 -1.26 -4.64 116.55 130.61 2jm3 n ASP 23 Ca 0.34 -1.89 -0.10 0.00 -0.53 0.00 0.00 54.79 52.61 2jm3 n ASP 23 Cb 0.50 -0.52 -0.07 0.00 -0.64 0.00 0.00 41.12 40.39 2jm3 n ASP 23 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2jm3 n ASN 24 N 3.27 5.60 0.00 -2.24 5.15 -1.26 -4.62 115.26 121.16 2jm3 n ASN 24 Ca 0.16 -2.63 0.00 0.00 -0.60 0.00 0.00 54.58 51.51 2jm3 n ASN 24 Cb 0.23 -1.24 0.00 0.00 -0.53 0.00 0.00 39.78 38.23 2jm3 n ASN 24 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 2jm3 n ARG 25 N 1.65 0.00 -3.54 1.20 1.74 -1.26 -5.14 116.66 111.30 2jm3 n ARG 25 Ca 0.27 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 57.19 2jm3 n ARG 25 Cb 0.68 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 32.06 2jm3 n ARG 25 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 2jm3 s HIS 26 N 3.38 -0.57 -0.18 -1.55 2.46 -1.26 -5.02 115.29 112.55 2jm3 s HIS 26 Ca 0.00 0.99 0.01 0.00 0.47 0.00 0.00 55.06 56.53 2jm3 s HIS 26 Cb 0.00 0.42 0.02 0.00 -0.13 0.00 0.00 32.58 32.89 2jm3 s HIS 26 CO 0.00 -0.52 -0.19 -0.06 -2.47 0.00 0.00 174.74 171.50 2jm3 s PHE 27 N -1.12 2.71 0.09 3.88 0.40 -1.26 -0.59 117.98 122.10 2jm3 s PHE 27 Ca -0.08 -1.60 -0.15 0.00 -0.60 0.00 0.00 56.93 54.50 2jm3 s PHE 27 Cb -0.00 -1.88 -0.07 0.00 0.51 0.00 0.00 43.02 41.58 2jm3 s PHE 27 CO 0.07 -0.79 0.51 0.71 0.70 0.00 0.00 175.22 176.42 2jm3 s TYR 28 N 1.30 3.68 0.33 0.36 2.02 0.22 -4.83 117.35 120.42 2jm3 s TYR 28 Ca 0.05 1.07 -0.20 0.00 -0.37 0.00 0.00 57.07 57.62 2jm3 s TYR 28 Cb -0.13 -2.37 -0.10 0.00 -0.40 0.00 0.00 41.96 38.97 2jm3 s TYR 28 CO -0.13 0.52 0.84 1.03 -1.57 0.00 0.00 175.55 176.24 2jm3 s ARG 29 N -1.58 4.25 -0.09 -0.62 1.81 -1.26 -1.46 118.95 119.99 2jm3 s ARG 29 Ca 0.33 0.98 -0.29 0.00 -1.72 0.00 0.00 55.73 55.03 2jm3 s ARG 29 Cb -0.16 -2.55 -0.07 0.00 -0.45 0.00 0.00 34.95 31.72 2jm3 s ARG 29 CO 0.18 0.19 2.10 0.42 -0.68 0.00 0.00 175.30 177.51 2jm3 s ILE 30 N -1.85 3.01 -0.87 1.52 -1.09 -1.26 -4.85 121.20 115.81 2jm3 s ILE 30 Ca 0.53 0.01 -0.25 0.00 -2.23 0.00 0.00 60.65 58.71 2jm3 s ILE 30 Cb -0.13 -3.01 -0.10 0.00 -1.58 0.00 0.00 42.46 37.63 2jm3 s ILE 30 CO 0.18 -0.01 2.18 -2.84 -1.23 0.00 0.00 174.94 173.23 2jm3 s PRO 31 N 5.44 2.01 0.00 2.79 0.02 -1.26 -4.76 135.00 139.24 2jm3 s PRO 31 Ca 0.95 0.03 0.00 0.00 0.02 0.00 0.00 61.00 62.00 2jm3 s PRO 31 Cb -0.38 -4.93 0.00 0.00 0.02 0.00 0.00 34.50 29.21 2jm3 s PRO 31 CO 0.38 -4.05 0.61 0.36 -0.33 0.00 0.00 177.00 173.97 2jm3 n LYS 32 N 8.77 0.98 -3.49 5.54 2.85 -1.26 -3.12 118.16 128.43 2jm3 n LYS 32 Ca 0.44 0.00 -0.16 0.00 -1.05 0.00 0.00 58.31 57.54 2jm3 n LYS 32 Cb 0.45 -1.37 -0.12 0.00 -0.65 0.00 0.00 35.03 33.34 2jm3 n LYS 32 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 2jm3 s ARG 33 N -1.25 0.21 0.87 -1.58 0.52 -1.26 -3.92 118.95 112.55 2jm3 s ARG 33 Ca 0.00 0.35 -0.13 0.00 -0.52 0.00 0.00 55.73 55.43 2jm3 s ARG 33 Cb 0.00 -0.88 0.13 0.00 0.52 0.00 0.00 34.95 34.72 2jm3 s ARG 33 CO 0.00 -0.59 1.23 -1.25 0.02 0.00 0.00 175.30 174.71 2jm3 s PRO 34 N 2.38 1.43 0.22 3.54 0.04 -1.26 -4.91 135.00 136.44 2jm3 s PRO 34 Ca 0.07 -0.12 -0.08 0.00 0.04 0.00 0.00 61.00 60.91 2jm3 s PRO 34 Cb -0.15 -1.92 0.17 0.00 0.04 0.00 0.00 34.50 32.64 2jm3 s PRO 34 CO -0.12 -1.92 1.83 -0.07 0.04 0.00 0.00 177.00 176.76 2jm3 h LEU 35 N -1.28 1.04 -0.88 -3.56 -0.00 -1.88 -2.34 115.31 106.42 2jm3 h LEU 35 Ca -0.45 -0.11 -0.06 0.00 -0.00 0.00 0.00 57.88 57.25 2jm3 h LEU 35 Cb 1.29 -0.27 -0.03 0.00 -0.00 0.00 0.00 40.66 41.66 2jm3 h LEU 35 CO 0.54 0.86 0.11 0.40 -0.00 0.00 0.00 178.44 180.35 2jm3 h ILE 36 N 1.15 1.25 -0.21 1.22 1.08 -1.94 0.10 117.51 120.16 2jm3 h ILE 36 Ca 0.29 -0.93 -0.01 0.00 -0.39 0.00 0.00 64.86 63.81 2jm3 h ILE 36 Cb 0.07 0.67 -0.01 0.00 -3.07 0.00 0.00 36.82 34.48 2jm3 h ILE 36 CO -0.04 0.35 0.09 0.25 -0.69 0.00 0.00 178.15 178.11 2jm3 h LEU 37 N 0.90 0.28 -1.36 1.44 5.85 -1.79 -0.94 115.31 119.68 2jm3 h LEU 37 Ca 0.19 -0.15 -0.00 0.00 0.84 0.00 0.00 57.88 58.76 2jm3 h LEU 37 Cb 0.37 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 2jm3 h LEU 37 CO 0.01 0.35 0.36 -0.09 -0.34 0.00 0.00 178.44 178.73 2jm3 h ARG 38 N 0.19 0.79 -0.72 1.25 2.43 -1.10 -0.82 114.38 116.41 2jm3 h ARG 38 Ca 0.07 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 2jm3 h ARG 38 Cb 0.15 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 2jm3 h ARG 38 CO -0.01 0.55 0.25 0.37 -1.51 0.00 0.00 179.97 179.62 2jm3 h GLN 39 N 0.81 1.11 0.00 0.20 4.15 -0.21 -2.57 115.11 118.60 2jm3 h GLN 39 Ca 0.21 -0.23 -0.13 0.00 0.77 0.00 0.00 58.65 59.28 2jm3 h GLN 39 Cb -0.04 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.46 2jm3 h GLN 39 CO -0.04 0.94 -0.60 0.00 -1.93 0.00 0.00 178.83 177.20 2jm3 h ARG 40 N 1.06 0.00 -0.92 1.69 2.47 -0.54 -3.00 114.38 115.13 2jm3 h ARG 40 Ca 0.24 0.00 0.02 0.00 -1.26 0.00 0.00 59.98 58.97 2jm3 h ARG 40 Cb 0.28 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.55 2jm3 h ARG 40 CO -0.01 0.60 0.61 -1.49 0.56 0.00 0.00 179.97 180.23 2jm3 h TRP 41 N 0.00 1.14 -0.06 3.04 4.06 -0.78 -2.41 115.95 120.94 2jm3 h TRP 41 Ca -0.01 0.03 0.02 0.00 2.06 0.00 0.00 58.89 60.99 2jm3 h TRP 41 Cb 1.19 -0.38 -0.00 0.00 -1.00 0.00 0.00 29.16 28.96 2jm3 h TRP 41 CO 0.00 0.70 0.05 -0.07 -3.56 0.00 0.00 178.44 175.56 2jm3 h LEU 42 N 1.21 0.00 -0.60 -4.49 3.38 -1.34 -3.02 115.31 110.45 2jm3 h LEU 42 Ca 0.35 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.36 2jm3 h LEU 42 Cb -0.09 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 2jm3 h LEU 42 CO -0.09 0.00 0.33 0.74 0.09 0.00 0.00 178.44 179.52 2jm3 h THR 43 N 0.00 0.99 0.00 0.22 2.02 -1.54 -0.07 112.91 114.52 2jm3 h THR 43 Ca 0.03 -0.22 -0.17 0.00 0.77 0.00 0.00 66.41 66.82 2jm3 h THR 43 Cb 0.13 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 2jm3 h THR 43 CO -0.00 0.12 -0.88 0.00 0.37 0.00 0.00 175.52 175.13 2jm3 h ALA 44 N 1.31 0.52 0.00 6.16 0.00 -1.69 -3.14 119.26 122.41 2jm3 h ALA 44 Ca 0.26 -0.77 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2jm3 h ALA 44 Cb 0.13 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2jm3 h ALA 44 CO -0.16 1.02 -0.41 0.44 0.00 0.00 0.00 179.25 180.14 2jm3 n ILE 45 N -3.26 0.14 -2.84 0.00 -5.35 -1.08 -4.85 119.36 102.13 2jm3 n ILE 45 Ca -0.01 -0.10 -0.18 0.00 -0.27 0.00 0.00 62.75 62.19 2jm3 n ILE 45 Cb 0.86 -0.06 0.03 0.00 -1.74 0.00 0.00 39.64 38.73 2jm3 n ILE 45 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2jm3 n GLY 46 N 1.44 -0.31 3.74 3.28 0.00 -0.08 -4.31 105.19 108.94 2jm3 n GLY 46 Ca 0.05 -0.04 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 2jm3 n GLY 46 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jm3 s ARG 47 N -5.44 2.16 0.50 1.61 3.52 -0.97 -5.06 118.95 115.27 2jm3 s ARG 47 Ca 0.23 -2.04 0.05 0.00 -0.13 0.00 0.00 55.73 53.84 2jm3 s ARG 47 Cb -0.10 -1.83 0.01 0.00 -1.56 0.00 0.00 34.95 31.47 2jm3 s ARG 47 CO 0.28 -0.22 0.29 0.99 -0.81 0.00 0.00 175.30 175.84 2jm3 s THR 48 N -2.70 1.78 0.31 4.11 2.01 -1.26 -4.67 115.64 115.22 2jm3 s THR 48 Ca 0.32 -1.61 0.09 0.00 0.31 0.00 0.00 61.69 60.80 2jm3 s THR 48 Cb 0.04 -2.39 0.05 0.00 0.01 0.00 0.00 72.50 70.21 2jm3 s THR 48 CO 0.17 0.00 1.73 1.05 -0.69 0.00 0.00 174.62 176.88 2jm3 h GLU 49 N 1.01 0.15 0.00 4.92 4.11 -1.97 -1.91 114.58 120.89 2jm3 h GLU 49 Ca -0.40 -0.07 0.00 0.00 0.07 0.00 0.00 59.36 58.97 2jm3 h GLU 49 Cb 1.29 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2jm3 h GLU 49 CO 0.63 0.55 0.00 0.39 0.07 0.00 0.00 179.01 180.64 2jm3 n GLU 50 N -4.02 0.01 -0.09 1.06 1.02 -1.26 -2.64 120.64 114.72 2jm3 n GLU 50 Ca -0.02 0.03 0.03 0.00 -0.02 0.00 0.00 57.16 57.19 2jm3 n GLU 50 Cb 0.47 -1.50 0.08 0.00 -0.02 0.00 0.00 31.44 30.48 2jm3 n GLU 50 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2jm3 n THR 51 N -1.49 0.84 -0.01 2.62 -2.24 -0.78 -4.56 114.28 108.65 2jm3 n THR 51 Ca 0.07 -0.92 0.00 0.00 -2.27 0.00 0.00 64.05 60.93 2jm3 n THR 51 Cb 0.32 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.15 2jm3 n THR 51 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2jm3 n VAL 52 N 0.17 0.00 -2.16 2.28 3.14 -0.80 -4.73 118.33 116.23 2jm3 n VAL 52 Ca 0.07 -0.37 -0.34 0.00 -2.96 0.00 0.00 64.34 60.74 2jm3 n VAL 52 Cb 0.33 1.01 -0.04 0.00 -1.06 0.00 0.00 33.84 34.08 2jm3 n VAL 52 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 2jm3 s VAL 53 N -0.71 3.50 0.00 1.55 -7.23 -1.08 -3.82 120.40 112.61 2jm3 s VAL 53 Ca 0.00 -0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.05 2jm3 s VAL 53 Cb 0.00 -4.20 0.00 0.00 0.56 0.00 0.00 36.38 32.74 2jm3 s VAL 53 CO 0.00 -1.15 0.00 -1.20 -0.31 0.00 0.00 175.10 172.44 2jm3 n SER 54 N 12.44 0.00 0.22 4.85 7.64 -1.26 -4.57 113.62 132.94 2jm3 n SER 54 Ca 0.28 0.00 0.09 0.00 1.01 0.00 0.00 58.87 60.25 2jm3 n SER 54 Cb 0.50 0.00 0.49 0.00 -1.01 0.00 0.00 64.21 64.19 2jm3 n SER 54 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 2jm3 h GLN 55 N 0.00 0.00 -5.91 1.43 -0.00 -1.93 -3.43 115.11 105.26 2jm3 h GLN 55 Ca 0.00 0.00 -0.61 0.00 -0.00 0.00 0.00 58.65 58.04 2jm3 h GLN 55 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 27.48 27.42 2jm3 h GLN 55 CO 0.00 0.24 -0.24 -1.17 0.00 0.00 0.00 178.83 177.66 2jm3 s LEU 56 N -7.05 4.44 -0.02 -2.39 2.96 -1.25 -4.97 118.68 110.40 2jm3 s LEU 56 Ca -0.01 0.87 0.04 0.00 -0.22 0.00 0.00 54.13 54.81 2jm3 s LEU 56 Cb 0.11 -2.52 -0.01 0.00 0.50 0.00 0.00 46.19 44.28 2jm3 s LEU 56 CO 0.64 0.30 -0.12 -0.60 -1.32 0.00 0.00 176.35 175.24 2jm3 s ARG 57 N -0.85 1.07 -0.05 1.98 6.06 -1.26 -4.20 118.95 121.71 2jm3 s ARG 57 Ca 0.22 -0.44 0.06 0.00 -2.50 0.00 0.00 55.73 53.07 2jm3 s ARG 57 Cb -0.16 -1.02 -0.01 0.00 0.06 0.00 0.00 34.95 33.82 2jm3 s ARG 57 CO 0.11 0.24 -0.23 0.42 -2.50 0.00 0.00 175.30 173.35 2jm3 s ILE 58 N -0.19 1.86 0.45 4.11 -1.09 -0.53 -0.71 121.20 125.10 2jm3 s ILE 58 Ca 0.03 -0.97 -0.24 0.00 -2.23 0.00 0.00 60.65 57.24 2jm3 s ILE 58 Cb -0.06 -1.57 -0.08 0.00 -1.58 0.00 0.00 42.46 39.17 2jm3 s ILE 58 CO -0.00 0.52 1.27 0.00 -1.23 0.00 0.00 174.94 175.50 2jm3 n SER 60 N -0.27 0.00 0.00 0.00 7.64 0.24 -2.25 113.62 118.98 2jm3 n SER 60 Ca 0.06 0.32 0.10 0.00 1.01 0.00 0.00 58.87 60.36 2jm3 n SER 60 Cb 0.45 -0.42 0.44 0.00 -1.01 0.00 0.00 64.21 63.67 2jm3 n SER 60 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jm3 n ALA 61 N -1.42 1.94 0.67 -0.43 0.00 -1.26 -2.76 120.51 117.25 2jm3 n ALA 61 Ca 0.05 -0.07 0.03 0.00 0.00 0.00 0.00 53.44 53.46 2jm3 n ALA 61 Cb 0.17 -1.32 0.14 0.00 0.00 0.00 0.00 19.45 18.43 2jm3 n ALA 61 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2jm3 n HIS 62 N -1.47 0.59 -4.25 0.00 -0.00 -0.96 -4.82 115.22 104.31 2jm3 n HIS 62 Ca 0.05 -0.23 -0.16 0.00 -0.00 0.00 0.00 57.72 57.38 2jm3 n HIS 62 Cb 0.22 -0.14 -0.11 0.00 -0.00 0.00 0.00 29.99 29.97 2jm3 n HIS 62 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.34 176.28 2jm3 s PHE 63 N -1.64 1.37 -1.17 4.41 0.08 -1.11 -0.74 117.98 119.18 2jm3 s PHE 63 Ca 0.19 -0.64 -0.21 0.00 0.12 0.00 0.00 56.93 56.40 2jm3 s PHE 63 Cb 0.13 -0.70 0.03 0.00 -0.57 0.00 0.00 43.02 41.91 2jm3 s PHE 63 CO 0.09 0.14 1.71 -1.83 -0.10 0.00 0.00 175.22 175.23 2jm3 s GLU 64 N -3.21 3.49 0.00 0.44 -1.05 -1.26 -3.17 118.70 113.94 2jm3 s GLU 64 Ca 0.13 -1.46 0.00 0.00 -0.15 0.00 0.00 54.97 53.50 2jm3 s GLU 64 Cb -0.01 -5.40 0.00 0.00 -0.44 0.00 0.00 34.13 28.28 2jm3 s GLU 64 CO 0.02 -2.65 0.00 0.41 0.95 0.00 0.00 175.26 174.00 2jm3 n GLY 65 N 6.01 1.71 0.00 -3.83 0.00 -1.26 -4.64 105.19 103.18 2jm3 n GLY 65 Ca 0.43 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2jm3 n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jm3 n GLY 66 N 0.00 1.02 3.56 -0.02 0.00 -1.19 -5.00 105.19 103.56 2jm3 n GLY 66 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2jm3 n GLY 66 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2jm3 s GLU 67 N -0.77 3.63 -0.49 1.61 -1.05 -1.26 -4.85 118.70 115.51 2jm3 s GLU 67 Ca 0.00 -0.19 -0.15 0.00 -0.15 0.00 0.00 54.97 54.47 2jm3 s GLU 67 Cb 0.00 -3.80 0.09 0.00 -0.44 0.00 0.00 34.13 29.98 2jm3 s GLU 67 CO 0.00 -0.61 0.42 0.21 0.95 0.00 0.00 175.26 176.23 2jm3 s LYS 68 N 2.32 2.94 0.04 -4.83 2.20 -1.26 -4.87 119.74 116.27 2jm3 s LYS 68 Ca 0.17 -1.50 0.00 0.00 -0.36 0.00 0.00 55.97 54.29 2jm3 s LYS 68 Cb -0.16 -4.16 0.00 0.00 -1.51 0.00 0.00 37.83 32.00 2jm3 s LYS 68 CO 0.13 -1.13 0.00 1.63 -0.36 0.00 0.00 175.35 175.61 2jm3 n LYS 69 N 5.19 0.00 0.00 4.03 4.76 -1.26 -5.04 118.16 125.84 2jm3 n LYS 69 Ca -0.13 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.31 2jm3 n LYS 69 Cb 0.42 -0.03 0.00 0.00 -1.84 0.00 0.00 35.03 33.58 2jm3 n LYS 69 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2jm3 n GLU 70 N -2.66 0.00 -2.73 1.97 4.71 -1.26 -4.86 120.64 115.80 2jm3 n GLU 70 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 57.16 57.11 2jm3 n GLU 70 Cb 0.00 -0.18 0.04 0.00 -1.01 0.00 0.00 31.44 30.29 2jm3 n GLU 70 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2jm3 n GLY 71 N 2.70 2.21 3.58 0.62 0.00 -1.26 -4.99 105.19 108.05 2jm3 n GLY 71 Ca 0.00 -1.28 -0.43 0.00 0.00 0.00 0.00 46.02 44.31 2jm3 n GLY 71 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jm3 s ASP 72 N -3.65 6.53 -0.03 1.61 1.01 -1.26 -0.14 116.67 120.73 2jm3 s ASP 72 Ca 0.29 0.21 -0.19 0.00 0.71 0.00 0.00 52.55 53.57 2jm3 s ASP 72 Cb 0.36 -2.50 -0.05 0.00 1.01 0.00 0.00 42.92 41.73 2jm3 s ASP 72 CO -0.02 -1.21 0.54 -0.63 0.21 0.00 0.00 175.17 174.06 2jm3 s ILE 73 N 4.21 4.99 -0.13 0.77 1.09 0.97 -4.89 121.20 128.21 2jm3 s ILE 73 Ca 0.42 1.12 -0.29 0.00 -1.10 0.00 0.00 60.65 60.79 2jm3 s ILE 73 Cb -0.09 -3.87 -0.04 0.00 -1.06 0.00 0.00 42.46 37.40 2jm3 s ILE 73 CO 0.28 0.42 1.68 -2.16 -0.10 0.00 0.00 174.94 175.06 2jm3 s PRO 74 N -0.11 3.96 0.28 2.79 0.04 -1.26 -3.88 135.00 136.81 2jm3 s PRO 74 Ca 0.29 1.98 0.00 0.00 0.04 0.00 0.00 61.00 63.31 2jm3 s PRO 74 Cb -0.17 -4.03 -0.04 0.00 0.04 0.00 0.00 34.50 30.30 2jm3 s PRO 74 CO 0.15 -1.11 0.46 0.14 0.04 0.00 0.00 177.00 176.69 2jm3 s VAL 75 N 4.78 5.16 0.15 -0.36 -7.23 0.08 -4.69 120.40 118.29 2jm3 s VAL 75 Ca 0.75 -0.48 0.19 0.00 -1.81 0.00 0.00 61.98 60.62 2jm3 s VAL 75 Cb -0.30 -3.81 0.13 0.00 0.56 0.00 0.00 36.38 32.96 2jm3 s VAL 75 CO 0.30 -0.37 1.72 1.55 -0.31 0.00 0.00 175.10 177.99 2jm3 h PRO 76 N 1.31 0.00 -0.75 4.82 0.13 -1.90 -3.42 132.00 132.18 2jm3 h PRO 76 Ca -0.49 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.74 2jm3 h PRO 76 Cb 1.21 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.13 2jm3 h PRO 76 CO 0.64 0.38 -0.23 0.34 -0.23 0.00 0.00 178.00 178.90 2jm3 s ASP 77 N -6.44 -1.20 0.00 1.44 -1.08 -1.26 -4.79 116.67 103.34 2jm3 s ASP 77 Ca 0.00 0.25 0.12 0.00 -0.52 0.00 0.00 52.55 52.40 2jm3 s ASP 77 Cb 0.11 1.80 0.64 0.00 -1.46 0.00 0.00 42.92 44.01 2jm3 s ASP 77 CO 0.69 -0.22 1.21 -2.65 0.52 0.00 0.00 175.17 174.72 2jm3 n PRO 78 N 5.34 0.26 -0.11 4.34 -0.02 -1.26 -0.48 135.00 143.07 2jm3 n PRO 78 Ca 0.04 0.10 -0.24 0.00 -2.02 0.00 0.00 63.50 61.38 2jm3 n PRO 78 Cb 0.55 -1.50 -0.11 0.00 -0.02 0.00 0.00 33.50 32.41 2jm3 n PRO 78 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 2jm3 n THR 79 N -1.15 1.56 -0.02 3.45 -1.04 -1.26 -4.64 114.28 111.17 2jm3 n THR 79 Ca 0.07 -0.22 -0.21 0.00 -2.04 0.00 0.00 64.05 61.65 2jm3 n THR 79 Cb 0.07 -1.94 -0.13 0.00 -1.82 0.00 0.00 70.33 66.51 2jm3 n THR 79 CO 0.00 0.00 0.00 -0.37 -0.64 0.00 0.00 175.07 174.06 2jm3 h VAL 80 N -0.85 1.04 -3.39 12.58 -1.51 -1.93 -3.47 116.25 118.71 2jm3 h VAL 80 Ca -0.48 -2.35 -0.54 0.00 -1.23 0.00 0.00 66.70 62.11 2jm3 h VAL 80 Cb 1.50 2.65 -0.03 0.00 -2.13 0.00 0.00 31.29 33.28 2jm3 h VAL 80 CO -0.24 0.63 -0.14 -0.62 -1.23 0.00 0.00 177.57 175.97 2jm3 s ASP 81 N -6.94 6.59 -0.68 4.19 2.15 0.37 -5.02 116.67 117.33 2jm3 s ASP 81 Ca -0.22 0.87 -0.26 0.00 0.43 0.00 0.00 52.55 53.37 2jm3 s ASP 81 Cb 0.04 -2.20 0.04 0.00 -0.30 0.00 0.00 42.92 40.50 2jm3 s ASP 81 CO 0.73 -0.07 1.16 -0.54 -0.17 0.00 0.00 175.17 176.27 2jm3 s LYS 82 N -2.88 3.23 -0.26 4.34 1.02 -1.26 -4.32 119.74 119.60 2jm3 s LYS 82 Ca 0.46 -0.32 -0.24 0.00 0.02 0.00 0.00 55.97 55.90 2jm3 s LYS 82 Cb -0.11 -4.16 -0.10 0.00 -0.52 0.00 0.00 37.83 32.94 2jm3 s LYS 82 CO 0.22 -1.95 0.90 0.94 -0.92 0.00 0.00 175.35 174.55 2jm3 n GLN 83 N 8.68 0.00 -2.60 1.68 -0.06 -1.26 -4.83 117.38 118.99 2jm3 n GLN 83 Ca 0.02 0.00 -0.43 0.00 -2.00 0.00 0.00 57.00 54.59 2jm3 n GLN 83 Cb 0.48 -0.79 -0.02 0.00 -4.06 0.00 0.00 30.24 25.85 2jm3 n GLN 83 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 2jm3 s ILE 84 N 1.91 4.58 -0.04 1.69 1.01 -1.25 -4.98 121.20 124.12 2jm3 s ILE 84 Ca 0.57 1.88 0.01 0.00 0.00 0.00 0.00 60.65 63.11 2jm3 s ILE 84 Cb -0.79 -4.21 0.02 0.00 0.01 0.00 0.00 42.46 37.49 2jm3 s ILE 84 CO 0.41 -0.08 -0.04 -0.54 0.00 0.00 0.00 174.94 174.69 2jm3 s LYS 85 N 2.68 0.72 0.06 2.79 1.02 -1.26 -0.02 119.74 125.73 2jm3 s LYS 85 Ca 0.49 -0.08 -0.30 0.00 0.02 0.00 0.00 55.97 56.10 2jm3 s LYS 85 Cb -0.19 -0.75 -0.05 0.00 -0.52 0.00 0.00 37.83 36.33 2jm3 s LYS 85 CO 0.14 -0.07 1.00 0.42 -0.92 0.00 0.00 175.35 175.91 2jm3 s ILE 86 N 0.85 4.58 -0.67 2.17 1.01 0.80 -4.97 121.20 124.97 2jm3 s ILE 86 Ca -0.11 1.99 -0.27 0.00 0.00 0.00 0.00 60.65 62.27 2jm3 s ILE 86 Cb -0.14 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 38.06 2jm3 s ILE 86 CO -0.00 0.23 1.61 -0.70 0.00 0.00 0.00 174.94 176.08 2jm3 s GLU 87 N 0.48 2.87 -0.25 2.79 2.56 -1.26 -4.31 118.70 121.58 2jm3 s GLU 87 Ca 0.50 0.22 -0.19 0.00 0.00 0.00 0.00 54.97 55.50 2jm3 s GLU 87 Cb -0.23 -4.32 -0.03 0.00 2.00 0.00 0.00 34.13 31.55 2jm3 s GLU 87 CO 0.29 -2.49 0.54 -1.17 -0.56 0.00 0.00 175.26 171.87 2jm3 s LEU 88 N 7.64 4.06 0.67 2.70 2.96 -1.26 -5.06 118.68 130.39 2jm3 s LEU 88 Ca 0.53 0.58 -0.16 0.00 -0.22 0.00 0.00 54.13 54.86 2jm3 s LEU 88 Cb -0.10 -2.71 0.00 0.00 0.50 0.00 0.00 46.19 43.88 2jm3 s LEU 88 CO 0.18 -0.30 1.19 -2.84 -1.32 0.00 0.00 176.35 173.26 2jm3 s PRO 89 N 2.29 2.56 -0.44 0.98 0.02 -1.26 -4.83 135.00 134.32 2jm3 s PRO 89 Ca 0.23 1.73 -0.41 0.00 0.02 0.00 0.00 61.00 62.57 2jm3 s PRO 89 Cb -0.16 -1.89 -0.16 0.00 0.02 0.00 0.00 34.50 32.32 2jm3 s PRO 89 CO 0.09 -1.51 2.13 -2.30 -0.33 0.00 0.00 177.00 175.08 2jm3 n PRO 90 N -2.24 0.42 0.00 5.54 -0.02 -1.26 -5.24 135.00 132.20 2jm3 n PRO 90 Ca 0.13 0.12 0.11 0.00 -2.02 0.00 0.00 63.50 61.84 2jm3 n PRO 90 Cb 0.50 -1.86 0.09 0.00 -0.02 0.00 0.00 33.50 32.21 2jm3 n PRO 90 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84