#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jm3 h SER 2 N 0.00 0.84 -3.38 1.61 4.64 -2.08 -3.41 113.55 111.77 2jm3 h SER 2 Ca 0.00 -0.24 -0.55 0.00 -0.47 0.00 0.00 61.79 60.53 2jm3 h SER 2 Cb 0.00 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 61.83 2jm3 h SER 2 CO 0.00 0.94 0.04 -0.04 -0.87 0.00 0.00 176.83 176.90 2jm3 s MET 3 N -4.90 4.28 0.41 4.77 1.00 -1.26 -4.98 119.30 118.62 2jm3 s MET 3 Ca -0.10 0.84 0.17 0.00 0.00 0.00 0.00 55.69 56.60 2jm3 s MET 3 Cb 0.14 -3.14 0.88 0.00 0.00 0.00 0.00 34.83 32.72 2jm3 s MET 3 CO 0.83 0.55 1.87 -1.00 0.00 0.00 0.00 175.02 177.28 2jm3 h PRO 4 N 4.14 0.00 -5.39 2.03 0.13 -2.03 -3.42 132.00 127.46 2jm3 h PRO 4 Ca -0.49 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.02 2jm3 h PRO 4 Cb 1.21 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.20 2jm3 h PRO 4 CO 0.65 0.31 -0.53 0.95 -0.23 0.00 0.00 178.00 179.14 2jm3 s THR 5 N -4.14 5.07 -0.15 1.56 -4.23 -1.26 -4.84 115.64 107.66 2jm3 s THR 5 Ca -0.02 0.06 -0.08 0.00 -1.18 0.00 0.00 61.69 60.47 2jm3 s THR 5 Cb 0.14 -3.27 0.06 0.00 1.34 0.00 0.00 72.50 70.76 2jm3 s THR 5 CO 0.69 0.49 0.36 -0.89 -0.54 0.00 0.00 174.62 174.73 2jm3 s THR 6 N 0.03 -0.06 0.29 3.99 2.01 -1.26 -4.76 115.64 115.89 2jm3 s THR 6 Ca 0.07 0.11 -0.30 0.00 0.31 0.00 0.00 61.69 61.89 2jm3 s THR 6 Cb -0.12 -0.55 -0.11 0.00 0.01 0.00 0.00 72.50 71.74 2jm3 s THR 6 CO 0.00 0.05 1.52 0.00 -0.69 0.00 0.00 174.62 175.50 2jm3 n GLY 8 N 1.88 2.06 3.84 0.00 0.00 -1.06 -4.89 105.19 107.02 2jm3 n GLY 8 Ca 0.06 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.25 3.38 -1.03 1.61 5.36 -1.26 -4.93 117.98 119.85 2jm3 s PHE 9 Ca 0.42 1.47 -0.26 0.00 -0.96 0.00 0.00 56.93 57.60 2jm3 s PHE 9 Cb 0.23 -2.76 -0.19 0.00 -0.34 0.00 0.00 43.02 39.96 2jm3 s PHE 9 CO 0.31 -0.17 2.15 -1.25 -1.46 0.00 0.00 175.22 174.80 2jm3 s PRO 10 N -3.51 1.46 -0.11 10.12 0.04 -1.26 -4.16 135.00 137.58 2jm3 s PRO 10 Ca 0.59 -0.34 -0.04 0.00 0.04 0.00 0.00 61.00 61.26 2jm3 s PRO 10 Cb -0.10 -4.98 0.01 0.00 0.04 0.00 0.00 34.50 29.48 2jm3 s PRO 10 CO 0.21 -5.05 0.07 -1.71 0.04 0.00 0.00 177.00 170.56 2jm3 n ASN 11 N 18.67 -2.69 -4.60 6.66 5.15 -1.26 -4.87 115.26 132.33 2jm3 n ASN 11 Ca 0.43 0.65 -0.43 0.00 -0.60 0.00 0.00 54.58 54.63 2jm3 n ASN 11 Cb 0.46 -3.02 -0.03 0.00 -0.53 0.00 0.00 39.78 36.67 2jm3 n ASN 11 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jm3 n LYS 13 N 8.67 1.27 -0.13 0.00 2.85 -1.26 -3.97 118.16 125.59 2jm3 n LYS 13 Ca 0.28 -0.70 -0.23 0.00 -1.05 0.00 0.00 58.31 56.60 2jm3 n LYS 13 Cb 0.46 -1.49 -0.11 0.00 -0.65 0.00 0.00 35.03 33.25 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 -0.25 0.04 -0.08 5.58 3.01 -1.26 -2.88 117.46 121.62 2jm3 n PHE 14 Ca 0.17 0.01 -0.10 0.00 1.01 0.00 0.00 57.45 58.54 2jm3 n PHE 14 Cb 0.33 -1.01 -0.03 0.00 -0.01 0.00 0.00 39.48 38.77 2jm3 n PHE 14 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2jm3 h ARG 15 N -0.46 0.38 0.00 -1.08 3.08 -1.87 -2.48 114.38 111.95 2jm3 h ARG 15 Ca -0.63 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 59.36 2jm3 h ARG 15 Cb 1.77 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.75 2jm3 h ARG 15 CO -0.24 0.40 0.00 0.43 -1.07 0.00 0.00 179.97 179.49 2jm3 n SER 16 N -4.79 0.00 -0.18 7.04 7.64 -1.25 -1.34 113.62 120.74 2jm3 n SER 16 Ca -0.03 0.49 -0.04 0.00 1.01 0.00 0.00 58.87 60.31 2jm3 n SER 16 Cb 0.12 -0.50 0.06 0.00 -1.01 0.00 0.00 64.21 62.88 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 0.00 0.53 -0.71 1.43 2.43 -1.30 -0.46 114.38 116.30 2jm3 h ARG 17 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2jm3 h ARG 17 Cb 0.42 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.85 2jm3 h ARG 17 CO 0.00 0.35 0.00 2.48 -1.51 0.00 0.00 179.97 181.29 2jm3 n TYR 18 N -4.86 1.20 -3.67 2.20 4.11 -1.24 -4.91 117.16 109.99 2jm3 n TYR 18 Ca 0.05 -0.54 -0.24 0.00 -0.00 0.00 0.00 57.90 57.18 2jm3 n TYR 18 Cb 0.14 -0.10 0.06 0.00 -0.00 0.00 0.00 39.34 39.44 2jm3 n TYR 18 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 176.86 174.73 2jm3 n ARG 19 N 1.44 -6.59 -3.55 -3.48 3.00 -0.18 -4.96 116.66 102.34 2jm3 n ARG 19 Ca 0.25 0.74 -0.28 0.00 -0.00 0.00 0.00 57.85 58.56 2jm3 n ARG 19 Cb 0.73 -5.67 -0.09 0.00 0.00 0.00 0.00 32.46 27.44 2jm3 n ARG 19 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2jm3 n GLY 20 N -1.69 4.59 0.00 5.14 0.00 -0.45 -4.84 105.19 107.95 2jm3 n GLY 20 Ca -0.09 -2.72 0.13 0.00 0.00 0.00 0.00 46.02 43.34 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 1.22 0.00 -4.56 0.99 4.77 -1.26 -4.26 117.00 113.91 2jm3 n LEU 21 Ca 0.27 0.24 -0.38 0.00 -0.03 0.00 0.00 56.01 56.11 2jm3 n LEU 21 Cb 0.39 -0.24 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 2jm3 n LEU 21 CO 0.38 -0.03 1.38 -0.70 -1.33 0.00 0.00 177.39 177.10 2jm3 s GLU 22 N -2.48 3.16 -0.85 3.23 2.56 -1.26 -4.91 118.70 118.15 2jm3 s GLU 22 Ca 0.28 -0.49 -0.23 0.00 0.00 0.00 0.00 54.97 54.53 2jm3 s GLU 22 Cb 0.18 -4.85 -0.18 0.00 2.00 0.00 0.00 34.13 31.29 2jm3 s GLU 22 CO 0.40 -2.48 2.25 -0.25 -0.56 0.00 0.00 175.26 174.62 2jm3 n ASP 23 N 10.48 1.10 -3.53 -1.70 8.00 -1.26 -4.77 116.55 124.87 2jm3 n ASP 23 Ca 0.24 -1.59 -0.38 0.00 0.71 0.00 0.00 54.79 53.78 2jm3 n ASP 23 Cb 0.50 -1.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.12 2jm3 n ASP 23 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2jm3 n ASN 24 N 16.67 6.60 0.00 -2.24 4.05 -1.26 -4.92 115.26 134.17 2jm3 n ASN 24 Ca 0.46 -3.66 0.00 0.00 0.45 0.00 0.00 54.58 51.84 2jm3 n ASN 24 Cb 0.40 -1.04 0.00 0.00 1.23 0.00 0.00 39.78 40.37 2jm3 n ASN 24 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 177.26 173.07 2jm3 n ARG 25 N 0.06 0.00 -3.71 1.20 0.63 -1.26 -5.14 116.66 108.44 2jm3 n ARG 25 Ca 0.41 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 57.08 2jm3 n ARG 25 Cb 0.30 0.00 -0.17 0.00 0.45 0.00 0.00 32.46 33.04 2jm3 n ARG 25 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 2jm3 s HIS 26 N 2.08 0.76 -0.37 -0.14 2.46 -1.26 -5.07 115.29 113.75 2jm3 s HIS 26 Ca 0.00 -0.62 -0.25 0.00 0.47 0.00 0.00 55.06 54.66 2jm3 s HIS 26 Cb 0.00 -0.91 0.01 0.00 -0.13 0.00 0.00 32.58 31.56 2jm3 s HIS 26 CO 0.00 -0.54 0.90 -0.06 -2.47 0.00 0.00 174.74 172.56 2jm3 s PHE 27 N 1.95 3.08 0.13 3.88 0.40 -1.26 -2.71 117.98 123.44 2jm3 s PHE 27 Ca 0.01 0.71 -0.30 0.00 -0.60 0.00 0.00 56.93 56.75 2jm3 s PHE 27 Cb -0.16 -3.61 -0.06 0.00 0.51 0.00 0.00 43.02 39.70 2jm3 s PHE 27 CO -0.08 -0.82 0.98 0.71 0.70 0.00 0.00 175.22 176.71 2jm3 s TYR 28 N 3.41 3.80 0.21 0.36 2.02 0.21 -4.78 117.35 122.58 2jm3 s TYR 28 Ca 0.37 1.78 -0.22 0.00 -0.37 0.00 0.00 57.07 58.62 2jm3 s TYR 28 Cb -0.12 -3.08 -0.08 0.00 -0.40 0.00 0.00 41.96 38.28 2jm3 s TYR 28 CO 0.19 0.11 0.77 1.03 -1.57 0.00 0.00 175.55 176.08 2jm3 s ARG 29 N -0.18 4.40 0.12 -0.62 1.81 -1.26 -1.78 118.95 121.44 2jm3 s ARG 29 Ca 0.47 1.03 -0.31 0.00 -1.72 0.00 0.00 55.73 55.19 2jm3 s ARG 29 Cb -0.25 -3.00 -0.10 0.00 -0.45 0.00 0.00 34.95 31.16 2jm3 s ARG 29 CO 0.31 0.44 1.71 0.42 -0.68 0.00 0.00 175.30 177.50 2jm3 s ILE 30 N -1.40 2.66 0.67 1.52 1.01 -1.26 -4.95 121.20 119.45 2jm3 s ILE 30 Ca 0.41 0.26 -0.17 0.00 0.00 0.00 0.00 60.65 61.15 2jm3 s ILE 30 Cb -0.19 -3.17 -0.02 0.00 0.01 0.00 0.00 42.46 39.09 2jm3 s ILE 30 CO 0.23 0.01 0.93 -2.65 0.00 0.00 0.00 174.94 173.45 2jm3 n PRO 31 N 5.17 0.66 0.00 2.79 -0.02 -1.26 -4.94 135.00 137.39 2jm3 n PRO 31 Ca 0.16 0.27 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2jm3 n PRO 31 Cb 0.39 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.70 2jm3 n PRO 31 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2jm3 n LYS 32 N -1.40 0.87 -3.49 -0.52 5.02 -1.26 -4.40 118.16 112.97 2jm3 n LYS 32 Ca 0.13 -0.76 -0.01 0.00 -2.02 0.00 0.00 58.31 55.65 2jm3 n LYS 32 Cb 0.49 -0.76 -0.04 0.00 -0.02 0.00 0.00 35.03 34.70 2jm3 n LYS 32 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2jm3 s ARG 33 N -0.34 0.54 0.68 1.97 3.52 -1.26 -4.04 118.95 120.01 2jm3 s ARG 33 Ca 0.00 1.24 -0.12 0.00 -0.13 0.00 0.00 55.73 56.72 2jm3 s ARG 33 Cb 0.00 0.66 0.00 0.00 -1.56 0.00 0.00 34.95 34.05 2jm3 s ARG 33 CO 0.00 -0.35 1.06 -2.14 -0.81 0.00 0.00 175.30 173.07 2jm3 s PRO 34 N 2.84 2.96 0.39 5.12 0.02 -1.26 -4.92 135.00 140.14 2jm3 s PRO 34 Ca 0.03 1.05 0.07 0.00 0.02 0.00 0.00 61.00 62.16 2jm3 s PRO 34 Cb -0.13 -1.99 0.78 0.00 0.02 0.00 0.00 34.50 33.18 2jm3 s PRO 34 CO -0.19 -1.09 1.99 1.25 -0.33 0.00 0.00 177.00 178.64 2jm3 h LEU 35 N -0.46 0.45 -0.71 -5.54 6.46 -1.94 -1.68 115.31 111.89 2jm3 h LEU 35 Ca -0.45 -0.04 -0.11 0.00 -0.12 0.00 0.00 57.88 57.17 2jm3 h LEU 35 Cb 1.22 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 41.02 2jm3 h LEU 35 CO 0.56 0.41 -0.19 0.40 -0.62 0.00 0.00 178.44 179.00 2jm3 h ILE 36 N 0.50 1.27 -0.65 4.05 1.08 -1.97 0.15 117.51 121.94 2jm3 h ILE 36 Ca 0.13 -1.29 -0.04 0.00 -0.39 0.00 0.00 64.86 63.27 2jm3 h ILE 36 Cb 0.09 1.16 -0.03 0.00 -3.07 0.00 0.00 36.82 34.97 2jm3 h ILE 36 CO -0.01 0.44 0.26 0.25 -0.69 0.00 0.00 178.15 178.39 2jm3 h LEU 37 N 0.70 0.90 -0.07 1.44 5.85 -1.72 0.32 115.31 122.72 2jm3 h LEU 37 Ca 0.10 -0.17 0.02 0.00 0.84 0.00 0.00 57.88 58.67 2jm3 h LEU 37 Cb 0.70 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 2jm3 h LEU 37 CO 0.05 0.83 -0.05 -0.09 -0.34 0.00 0.00 178.44 178.84 2jm3 h ARG 38 N 0.92 -0.05 -0.53 1.25 2.43 -0.91 -1.40 114.38 116.08 2jm3 h ARG 38 Ca 0.22 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.36 2jm3 h ARG 38 Cb 0.21 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.75 2jm3 h ARG 38 CO -0.02 -0.04 0.22 0.37 -1.51 0.00 0.00 179.97 179.00 2jm3 h GLN 39 N -0.06 0.77 0.00 0.20 4.15 -0.32 -1.34 115.11 118.50 2jm3 h GLN 39 Ca 0.05 -0.11 -0.05 0.00 0.77 0.00 0.00 58.65 59.31 2jm3 h GLN 39 Cb 0.12 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 2jm3 h GLN 39 CO -0.11 0.63 -0.22 0.00 -1.93 0.00 0.00 178.83 177.20 2jm3 h ARG 40 N 0.76 0.00 0.28 1.69 2.47 0.04 -1.81 114.38 117.81 2jm3 h ARG 40 Ca 0.18 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.89 2jm3 h ARG 40 Cb 0.14 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.46 2jm3 h ARG 40 CO -0.02 0.22 -0.14 -1.49 0.56 0.00 0.00 179.97 179.10 2jm3 h TRP 41 N 0.00 -0.35 -0.32 3.04 4.06 -0.14 -2.41 115.95 119.83 2jm3 h TRP 41 Ca -0.00 -0.01 0.09 0.00 2.06 0.00 0.00 58.89 61.03 2jm3 h TRP 41 Cb 0.54 0.12 -0.01 0.00 -1.00 0.00 0.00 29.16 28.80 2jm3 h TRP 41 CO 0.00 -0.10 0.34 -0.07 -3.56 0.00 0.00 178.44 175.06 2jm3 h LEU 42 N -0.56 0.00 -1.34 -4.49 4.07 -1.25 -2.08 115.31 109.67 2jm3 h LEU 42 Ca -0.04 0.00 0.02 0.00 0.08 0.00 0.00 57.88 57.94 2jm3 h LEU 42 Cb 0.41 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.11 2jm3 h LEU 42 CO 0.06 0.00 0.46 0.74 -1.08 0.00 0.00 178.44 178.62 2jm3 h THR 43 N 0.00 1.14 0.18 0.22 2.02 -0.81 0.41 112.91 116.07 2jm3 h THR 43 Ca 0.15 -0.31 -0.30 0.00 0.77 0.00 0.00 66.41 66.72 2jm3 h THR 43 Cb 0.84 0.17 0.02 0.00 -1.74 0.00 0.00 68.15 67.44 2jm3 h THR 43 CO -0.00 0.16 -1.44 0.00 0.37 0.00 0.00 175.52 174.61 2jm3 h ALA 44 N 1.58 0.03 0.00 6.16 0.00 -1.42 -3.33 119.26 122.28 2jm3 h ALA 44 Ca 0.26 -0.98 -0.01 0.00 0.00 0.00 0.00 54.91 54.19 2jm3 h ALA 44 Cb -0.03 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2jm3 h ALA 44 CO -0.07 0.77 -0.04 -0.84 0.00 0.00 0.00 179.25 179.08 2jm3 h ILE 45 N -0.06 0.06 -2.99 0.00 3.07 -1.48 -3.47 117.51 112.64 2jm3 h ILE 45 Ca -0.28 -1.07 -0.26 0.00 1.55 0.00 0.00 64.86 64.80 2jm3 h ILE 45 Cb 1.96 2.02 0.04 0.00 -0.27 0.00 0.00 36.82 40.57 2jm3 h ILE 45 CO 0.17 0.04 -0.39 0.61 -1.05 0.00 0.00 178.15 177.53 2jm3 n GLY 46 N 1.07 -0.10 4.01 0.16 0.00 0.14 -4.70 105.19 105.78 2jm3 n GLY 46 Ca 0.04 -0.20 -0.17 0.00 0.00 0.00 0.00 46.02 45.68 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 -5.25 2.81 0.36 1.61 6.06 -1.14 -5.06 118.95 118.34 2jm3 s ARG 47 Ca 0.19 -1.26 0.07 0.00 -2.50 0.00 0.00 55.73 52.23 2jm3 s ARG 47 Cb -0.08 -2.75 -0.02 0.00 0.06 0.00 0.00 34.95 32.16 2jm3 s ARG 47 CO 0.23 -0.29 0.38 0.95 -2.50 0.00 0.00 175.30 174.07 2jm3 s THR 48 N -2.36 3.37 0.03 4.11 -4.23 -1.26 -4.88 115.64 110.42 2jm3 s THR 48 Ca 0.55 -1.24 -0.25 0.00 -1.18 0.00 0.00 61.69 59.57 2jm3 s THR 48 Cb -0.10 -3.16 -0.18 0.00 1.34 0.00 0.00 72.50 70.40 2jm3 s THR 48 CO 0.33 -0.11 1.42 -0.33 -0.54 0.00 0.00 174.62 175.39 2jm3 h GLU 49 N 1.05 -0.15 0.00 3.99 4.39 -2.00 0.14 114.58 121.99 2jm3 h GLU 49 Ca -0.44 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.28 2jm3 h GLU 49 Cb 1.26 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 2jm3 h GLU 49 CO 0.55 0.13 0.00 -1.91 -1.16 0.00 0.00 179.01 176.62 2jm3 n GLU 50 N -5.04 0.10 0.09 2.33 4.07 -1.26 -2.25 120.64 118.68 2jm3 n GLU 50 Ca -0.09 0.11 0.11 0.00 -0.06 0.00 0.00 57.16 57.23 2jm3 n GLU 50 Cb 0.19 -1.62 -0.00 0.00 -0.06 0.00 0.00 31.44 29.95 2jm3 n GLU 50 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 2jm3 n THR 51 N -1.79 0.56 -0.03 6.31 -1.04 -1.00 -4.14 114.28 113.15 2jm3 n THR 51 Ca 0.06 -0.53 -0.13 0.00 -2.04 0.00 0.00 64.05 61.42 2jm3 n THR 51 Cb 0.36 -0.29 -0.14 0.00 -1.82 0.00 0.00 70.33 68.43 2jm3 n THR 51 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 2jm3 n VAL 52 N -2.61 1.63 0.34 12.58 3.14 0.44 -4.27 118.33 129.59 2jm3 n VAL 52 Ca -0.00 -0.75 0.03 0.00 -2.96 0.00 0.00 64.34 60.66 2jm3 n VAL 52 Cb 0.54 -1.19 0.17 0.00 -1.06 0.00 0.00 33.84 32.30 2jm3 n VAL 52 CO 0.00 0.00 0.00 1.33 -6.46 0.00 0.00 176.83 171.70 2jm3 n VAL 53 N -3.14 1.03 0.00 1.55 0.24 -0.96 -3.54 118.33 113.51 2jm3 n VAL 53 Ca -0.25 -0.56 0.00 0.00 -2.04 0.00 0.00 64.34 61.50 2jm3 n VAL 53 Cb 1.06 -0.30 0.00 0.00 -1.47 0.00 0.00 33.84 33.13 2jm3 n VAL 53 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2jm3 n SER 54 N 0.29 0.00 -0.18 -1.34 7.64 -1.26 -4.87 113.62 113.90 2jm3 n SER 54 Ca 0.11 0.00 0.02 0.00 1.01 0.00 0.00 58.87 60.01 2jm3 n SER 54 Cb 0.58 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.83 2jm3 n SER 54 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jm3 n GLN 55 N -1.00 2.89 -2.89 1.43 1.13 -1.26 -5.01 117.38 112.67 2jm3 n GLN 55 Ca 0.00 -1.71 -0.42 0.00 -1.94 0.00 0.00 57.00 52.92 2jm3 n GLN 55 Cb 0.00 -1.11 -0.05 0.00 0.11 0.00 0.00 30.24 29.20 2jm3 n GLN 55 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2jm3 s LEU 56 N -1.12 4.07 0.02 1.08 2.96 -1.23 -4.63 118.68 119.83 2jm3 s LEU 56 Ca 0.08 0.51 0.06 0.00 -0.22 0.00 0.00 54.13 54.56 2jm3 s LEU 56 Cb 0.05 -3.13 -0.02 0.00 0.50 0.00 0.00 46.19 43.59 2jm3 s LEU 56 CO 0.04 -0.76 -0.19 -0.13 -1.32 0.00 0.00 176.35 173.99 2jm3 s ARG 57 N 3.22 1.37 -0.09 1.98 3.00 -1.23 -4.66 118.95 122.54 2jm3 s ARG 57 Ca 0.34 -0.82 0.00 0.00 0.00 0.00 0.00 55.73 55.25 2jm3 s ARG 57 Cb -0.13 -1.41 -0.03 0.00 0.00 0.00 0.00 34.95 33.38 2jm3 s ARG 57 CO 0.17 0.37 -0.08 0.42 0.00 0.00 0.00 175.30 176.18 2jm3 s ILE 58 N -0.68 3.60 0.57 1.52 -1.09 -0.74 -2.55 121.20 121.83 2jm3 s ILE 58 Ca 0.07 -0.50 -0.19 0.00 -2.23 0.00 0.00 60.65 57.79 2jm3 s ILE 58 Cb -0.08 -2.49 -0.04 0.00 -1.58 0.00 0.00 42.46 38.26 2jm3 s ILE 58 CO 0.01 0.57 1.18 0.00 -1.23 0.00 0.00 174.94 175.47 2jm3 n SER 60 N -1.45 0.00 -0.03 0.00 3.41 -1.10 -2.49 113.62 111.95 2jm3 n SER 60 Ca 0.13 0.47 0.15 0.00 -0.26 0.00 0.00 58.87 59.36 2jm3 n SER 60 Cb 0.50 -0.49 0.78 0.00 -0.26 0.00 0.00 64.21 64.74 2jm3 n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jm3 n ALA 61 N -1.49 2.60 0.03 7.33 0.00 -1.26 -3.02 120.51 124.71 2jm3 n ALA 61 Ca 0.05 -0.19 0.06 0.00 0.00 0.00 0.00 53.44 53.37 2jm3 n ALA 61 Cb 0.24 -1.46 0.25 0.00 0.00 0.00 0.00 19.45 18.48 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 -1.11 1.08 -4.32 0.00 -0.00 -1.04 -4.71 115.22 105.11 2jm3 n HIS 62 Ca 0.17 -0.42 -0.19 0.00 -0.00 0.00 0.00 57.72 57.28 2jm3 n HIS 62 Cb 0.22 -0.21 -0.10 0.00 -0.00 0.00 0.00 29.99 29.89 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 -1.81 1.66 -0.38 4.41 0.40 -1.17 0.16 117.98 121.26 2jm3 s PHE 63 Ca 0.35 -0.56 -0.27 0.00 -0.60 0.00 0.00 56.93 55.85 2jm3 s PHE 63 Cb 0.23 -0.80 -0.05 0.00 0.51 0.00 0.00 43.02 42.91 2jm3 s PHE 63 CO 0.16 0.30 2.18 -1.21 0.70 0.00 0.00 175.22 177.35 2jm3 s GLU 64 N -3.30 2.73 0.00 0.44 0.41 -1.26 -3.49 118.70 114.22 2jm3 s GLU 64 Ca 0.18 1.55 0.00 0.00 -0.41 0.00 0.00 54.97 56.29 2jm3 s GLU 64 Cb -0.02 -4.42 0.00 0.00 -1.78 0.00 0.00 34.13 27.90 2jm3 s GLU 64 CO 0.06 -2.56 0.00 0.41 -0.49 0.00 0.00 175.26 172.68 2jm3 n GLY 65 N 5.79 1.83 0.00 -1.39 0.00 -1.26 -4.29 105.19 105.87 2jm3 n GLY 65 Ca 0.30 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.20 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 0.21 2.89 -0.02 0.00 -1.23 -4.85 105.19 102.19 2jm3 n GLY 66 Ca 0.00 -0.37 -0.14 0.00 0.00 0.00 0.00 46.02 45.50 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 0.00 0.21 -0.51 1.61 -1.05 -1.26 -5.02 118.70 112.68 2jm3 s GLU 67 Ca 0.00 0.49 -0.15 0.00 -0.15 0.00 0.00 54.97 55.17 2jm3 s GLU 67 Cb 0.00 -0.59 0.12 0.00 -0.44 0.00 0.00 34.13 33.22 2jm3 s GLU 67 CO 0.00 -0.50 0.45 0.21 0.95 0.00 0.00 175.26 176.37 2jm3 s LYS 68 N 2.41 2.89 0.00 -4.83 2.20 -1.26 -4.82 119.74 116.33 2jm3 s LYS 68 Ca 0.06 -1.65 0.00 0.00 -0.36 0.00 0.00 55.97 54.01 2jm3 s LYS 68 Cb -0.14 -4.19 0.00 0.00 -1.51 0.00 0.00 37.83 31.98 2jm3 s LYS 68 CO -0.11 -1.25 0.00 1.63 -0.36 0.00 0.00 175.35 175.26 2jm3 n LYS 69 N 5.18 0.00 -0.17 4.03 4.01 -1.26 -5.00 118.16 124.94 2jm3 n LYS 69 Ca -0.13 0.00 0.04 0.00 -0.51 0.00 0.00 58.31 57.71 2jm3 n LYS 69 Cb 0.41 0.00 0.06 0.00 -0.51 0.00 0.00 35.03 34.98 2jm3 n LYS 69 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 2jm3 n GLU 70 N 0.00 1.06 -1.59 1.97 2.13 -1.26 -4.77 120.64 118.18 2jm3 n GLU 70 Ca 0.00 -1.66 -0.02 0.00 0.66 0.00 0.00 57.16 56.14 2jm3 n GLU 70 Cb 0.00 -0.99 -0.00 0.00 0.27 0.00 0.00 31.44 30.72 2jm3 n GLU 70 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2jm3 n GLY 71 N -0.67 1.01 2.97 8.31 0.00 -1.26 -4.63 105.19 110.93 2jm3 n GLY 71 Ca 0.06 -0.39 -0.27 0.00 0.00 0.00 0.00 46.02 45.43 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 -1.61 2.14 -0.05 1.61 1.11 -1.26 -0.20 116.67 118.40 2jm3 s ASP 72 Ca 0.14 -0.34 -0.01 0.00 0.18 0.00 0.00 52.55 52.53 2jm3 s ASP 72 Cb 0.22 -0.90 -0.03 0.00 1.07 0.00 0.00 42.92 43.27 2jm3 s ASP 72 CO -0.08 -0.05 0.02 -0.63 1.18 0.00 0.00 175.17 175.61 2jm3 s ILE 73 N 1.27 4.38 -0.22 0.77 1.09 -0.55 -4.81 121.20 123.14 2jm3 s ILE 73 Ca -0.02 -0.34 -0.29 0.00 -1.10 0.00 0.00 60.65 58.89 2jm3 s ILE 73 Cb -0.14 -2.89 -0.01 0.00 -1.06 0.00 0.00 42.46 38.36 2jm3 s ILE 73 CO -0.04 0.51 1.37 -2.16 -0.10 0.00 0.00 174.94 174.53 2jm3 s PRO 74 N -1.17 4.03 0.28 2.79 0.04 -1.26 -4.40 135.00 135.30 2jm3 s PRO 74 Ca 0.16 1.55 0.02 0.00 0.04 0.00 0.00 61.00 62.77 2jm3 s PRO 74 Cb -0.11 -3.88 -0.03 0.00 0.04 0.00 0.00 34.50 30.52 2jm3 s PRO 74 CO 0.06 -0.98 0.45 0.14 0.04 0.00 0.00 177.00 176.70 2jm3 s VAL 75 N 4.19 5.18 0.19 -0.36 -7.23 0.12 -4.72 120.40 117.78 2jm3 s VAL 75 Ca 0.60 -0.64 -0.12 0.00 -1.81 0.00 0.00 61.98 60.01 2jm3 s VAL 75 Cb -0.21 -3.84 0.10 0.00 0.56 0.00 0.00 36.38 32.99 2jm3 s VAL 75 CO 0.22 -0.40 1.84 1.55 -0.31 0.00 0.00 175.10 178.00 2jm3 h PRO 76 N 1.16 0.76 -1.65 4.82 0.13 -1.91 -3.41 132.00 131.89 2jm3 h PRO 76 Ca -0.50 -0.05 -0.16 0.00 -0.87 0.00 0.00 66.00 64.43 2jm3 h PRO 76 Cb 1.22 -0.17 -0.28 0.00 0.13 0.00 0.00 31.00 31.90 2jm3 h PRO 76 CO 0.63 0.50 -0.51 0.34 -0.23 0.00 0.00 178.00 178.73 2jm3 s ASP 77 N -5.71 0.15 0.00 1.44 -1.08 -1.26 -4.85 116.67 105.36 2jm3 s ASP 77 Ca -0.13 -0.21 0.02 0.00 -0.52 0.00 0.00 52.55 51.71 2jm3 s ASP 77 Cb 0.14 1.22 0.09 0.00 -1.46 0.00 0.00 42.92 42.90 2jm3 s ASP 77 CO 0.76 -0.34 1.02 -0.81 0.52 0.00 0.00 175.17 176.32 2jm3 n PRO 78 N 5.36 0.01 -0.00 4.34 -0.04 -1.26 0.61 135.00 144.02 2jm3 n PRO 78 Ca 0.00 0.42 0.10 0.00 -0.04 0.00 0.00 63.50 63.98 2jm3 n PRO 78 Cb 0.50 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.33 2jm3 n PRO 78 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2jm3 n THR 79 N -1.45 0.00 -0.02 0.52 -2.24 -1.26 -4.69 114.28 105.13 2jm3 n THR 79 Ca 0.01 -0.19 -0.04 0.00 -2.27 0.00 0.00 64.05 61.56 2jm3 n THR 79 Cb 0.02 0.66 -0.02 0.00 -2.10 0.00 0.00 70.33 68.89 2jm3 n THR 79 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2jm3 n VAL 80 N -1.74 0.23 -2.47 2.28 0.31 0.06 -5.08 118.33 111.92 2jm3 n VAL 80 Ca 0.01 -0.06 -0.24 0.00 -0.01 0.00 0.00 64.34 64.04 2jm3 n VAL 80 Cb 0.39 -1.54 0.11 0.00 -0.91 0.00 0.00 33.84 31.89 2jm3 n VAL 80 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2jm3 s ASP 81 N -5.35 4.34 -0.59 4.52 -1.08 0.20 -5.02 116.67 113.68 2jm3 s ASP 81 Ca -0.06 -0.17 -0.20 0.00 -0.52 0.00 0.00 52.55 51.61 2jm3 s ASP 81 Cb 0.02 -0.25 0.09 0.00 -1.46 0.00 0.00 42.92 41.32 2jm3 s ASP 81 CO 0.07 -1.87 0.74 -0.54 0.52 0.00 0.00 175.17 174.10 2jm3 s LYS 82 N -5.20 3.07 -0.45 4.34 1.02 -1.26 -4.65 119.74 116.61 2jm3 s LYS 82 Ca 0.66 -1.16 -0.43 0.00 0.02 0.00 0.00 55.97 55.05 2jm3 s LYS 82 Cb -0.06 -4.24 -0.18 0.00 -0.52 0.00 0.00 37.83 32.84 2jm3 s LYS 82 CO 0.45 -1.55 1.96 0.94 -0.92 0.00 0.00 175.35 176.23 2jm3 n GLN 83 N 6.57 0.32 -2.66 1.68 -0.06 -1.26 -4.89 117.38 117.08 2jm3 n GLN 83 Ca -0.08 0.10 -0.43 0.00 -2.00 0.00 0.00 57.00 54.59 2jm3 n GLN 83 Cb 0.43 -1.73 -0.02 0.00 -4.06 0.00 0.00 30.24 24.86 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 5.15 4.46 0.10 1.69 1.01 -1.26 -5.02 121.20 127.34 2jm3 s ILE 84 Ca 1.12 1.57 0.04 0.00 0.00 0.00 0.00 60.65 63.38 2jm3 s ILE 84 Cb -1.34 -4.44 -0.04 0.00 0.01 0.00 0.00 42.46 36.65 2jm3 s ILE 84 CO 0.67 -0.58 -0.12 -1.59 0.00 0.00 0.00 174.94 173.32 2jm3 s LYS 85 N 3.78 0.90 0.07 2.79 0.00 -1.26 -1.48 119.74 124.53 2jm3 s LYS 85 Ca 0.45 -1.17 0.02 0.00 0.00 0.00 0.00 55.97 55.28 2jm3 s LYS 85 Cb -0.11 -0.66 -0.03 0.00 0.00 0.00 0.00 37.83 37.02 2jm3 s LYS 85 CO 0.19 0.12 -0.08 0.42 0.00 0.00 0.00 175.35 175.99 2jm3 s ILE 86 N -2.26 0.68 -0.40 3.79 1.01 0.72 -5.00 121.20 119.74 2jm3 s ILE 86 Ca 0.06 -1.45 -0.13 0.00 0.00 0.00 0.00 60.65 59.12 2jm3 s ILE 86 Cb -0.04 -1.09 0.03 0.00 0.01 0.00 0.00 42.46 41.37 2jm3 s ILE 86 CO 0.01 -0.56 0.27 -1.83 0.00 0.00 0.00 174.94 172.82 2jm3 s GLU 87 N -2.51 2.88 -0.23 2.79 -1.05 -1.26 -4.37 118.70 114.95 2jm3 s GLU 87 Ca -0.00 -1.10 -0.28 0.00 -0.15 0.00 0.00 54.97 53.44 2jm3 s GLU 87 Cb -0.04 -3.87 0.00 0.00 -0.44 0.00 0.00 34.13 29.78 2jm3 s GLU 87 CO -0.01 -0.77 0.97 -1.17 0.95 0.00 0.00 175.26 175.23 2jm3 s LEU 88 N 1.61 4.10 0.37 1.83 2.96 -1.26 -5.03 118.68 123.25 2jm3 s LEU 88 Ca 0.03 1.27 -0.28 0.00 -0.22 0.00 0.00 54.13 54.94 2jm3 s LEU 88 Cb -0.20 -3.42 -0.10 0.00 0.50 0.00 0.00 46.19 42.97 2jm3 s LEU 88 CO 0.08 -0.61 1.33 -2.84 -1.32 0.00 0.00 176.35 172.98 2jm3 s PRO 89 N 3.05 4.17 0.14 0.98 0.02 -1.26 -4.95 135.00 137.15 2jm3 s PRO 89 Ca 0.41 2.23 -0.26 0.00 0.02 0.00 0.00 61.00 63.40 2jm3 s PRO 89 Cb -0.15 -2.93 -0.01 0.00 0.02 0.00 0.00 34.50 31.43 2jm3 s PRO 89 CO 0.07 -0.35 1.60 -1.35 -0.33 0.00 0.00 177.00 176.63 2jm3 h PRO 90 N 3.05 -0.36 0.00 5.54 0.11 -2.06 -3.54 132.00 134.74 2jm3 h PRO 90 Ca -0.49 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2jm3 h PRO 90 Cb 1.24 0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.43 2jm3 h PRO 90 CO 0.64 -0.24 0.00 1.63 -0.21 0.00 0.00 178.00 179.82