#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 0.68 -3.19 1.61 4.64 -2.07 -3.40 113.55 111.82 2jm3 h SER 2 Ca 0.00 -0.18 -0.59 0.00 -0.47 0.00 0.00 61.79 60.56 2jm3 h SER 2 Cb 0.00 -0.18 -0.36 0.00 -0.31 0.00 0.00 62.40 61.54 2jm3 h SER 2 CO 0.00 0.79 -0.82 -0.32 -0.87 0.00 0.00 176.83 175.61 2jm3 s MET 3 N -4.87 2.06 -0.99 4.77 -2.45 -1.26 -5.07 119.30 111.49 2jm3 s MET 3 Ca -0.09 -0.54 -0.24 0.00 -1.25 0.00 0.00 55.69 53.57 2jm3 s MET 3 Cb 0.14 -2.05 -0.07 0.00 1.25 0.00 0.00 34.83 34.11 2jm3 s MET 3 CO 0.80 -0.28 1.97 -1.25 1.05 0.00 0.00 175.02 177.31 2jm3 s PRO 4 N 1.52 2.46 -0.07 4.11 0.04 -1.26 -4.94 135.00 136.85 2jm3 s PRO 4 Ca 0.04 -0.53 -0.25 0.00 0.04 0.00 0.00 61.00 60.29 2jm3 s PRO 4 Cb -0.13 -5.10 -0.03 0.00 0.04 0.00 0.00 34.50 29.27 2jm3 s PRO 4 CO -0.10 -3.67 0.80 0.99 0.04 0.00 0.00 177.00 175.06 2jm3 s THR 5 N 10.76 4.97 -0.10 1.26 2.01 -1.26 -5.05 115.64 128.23 2jm3 s THR 5 Ca 0.71 1.64 0.00 0.00 0.31 0.00 0.00 61.69 64.34 2jm3 s THR 5 Cb -0.05 -4.13 -0.03 0.00 0.01 0.00 0.00 72.50 68.30 2jm3 s THR 5 CO 0.04 0.18 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.18 2jm3 s THR 6 N 1.16 3.53 0.42 -0.82 2.01 -1.26 -5.08 115.64 115.60 2jm3 s THR 6 Ca 0.41 -0.52 -0.24 0.00 0.31 0.00 0.00 61.69 61.65 2jm3 s THR 6 Cb -0.18 -2.47 -0.08 0.00 0.01 0.00 0.00 72.50 69.78 2jm3 s THR 6 CO 0.19 0.56 1.17 0.00 -0.69 0.00 0.00 174.62 175.85 2jm3 n GLY 8 N 0.56 0.02 3.76 0.00 0.00 0.59 -4.72 105.19 105.40 2jm3 n GLY 8 Ca 0.05 -0.42 -0.40 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.93 3.58 0.36 1.61 5.36 -1.26 -4.95 117.98 120.75 2jm3 s PHE 9 Ca 0.36 1.72 0.09 0.00 -0.96 0.00 0.00 56.93 58.15 2jm3 s PHE 9 Cb 0.20 -3.21 0.68 0.00 -0.34 0.00 0.00 43.02 40.35 2jm3 s PHE 9 CO 0.31 -0.41 1.84 -1.00 -1.46 0.00 0.00 175.22 174.50 2jm3 h PRO 10 N 3.61 0.21 -2.48 10.12 0.13 -1.91 -3.37 132.00 138.31 2jm3 h PRO 10 Ca -0.47 -0.06 -0.59 0.00 -0.87 0.00 0.00 66.00 64.01 2jm3 h PRO 10 Cb 1.21 -0.02 -0.39 0.00 0.13 0.00 0.00 31.00 31.94 2jm3 h PRO 10 CO 0.66 0.44 -0.92 0.54 -0.23 0.00 0.00 178.00 178.50 2jm3 s ASN 11 N -6.89 2.06 -0.78 1.44 2.20 -1.26 -5.05 114.94 106.66 2jm3 s ASN 11 Ca -0.05 -2.83 -0.16 0.00 -0.94 0.00 0.00 52.86 48.88 2jm3 s ASN 11 Cb 0.15 -0.49 0.18 0.00 -2.00 0.00 0.00 41.25 39.08 2jm3 s ASN 11 CO 0.74 -0.21 0.80 0.00 -2.94 0.00 0.00 177.10 175.49 2jm3 n LYS 13 N 4.94 0.45 -0.08 0.00 0.00 -1.26 -3.91 118.16 118.31 2jm3 n LYS 13 Ca 0.09 0.02 -0.14 0.00 -0.00 0.00 0.00 58.31 58.28 2jm3 n LYS 13 Cb 0.46 -1.50 -0.05 0.00 -0.00 0.00 0.00 35.03 33.94 2jm3 n LYS 13 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.40 178.14 2jm3 h PHE 14 N 0.00 0.89 0.00 5.58 0.04 -1.91 -1.63 116.94 119.90 2jm3 h PHE 14 Ca 0.00 -0.30 0.00 0.00 2.80 0.00 0.00 57.97 60.47 2jm3 h PHE 14 Cb 0.24 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.22 2jm3 h PHE 14 CO 0.00 1.07 0.00 0.00 -0.60 0.00 0.00 178.31 178.78 2jm3 h ARG 15 N 0.45 0.00 0.00 1.51 3.08 -1.91 -1.07 114.38 116.45 2jm3 h ARG 15 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2jm3 h ARG 15 Cb 0.99 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.04 2jm3 h ARG 15 CO 0.09 0.00 -0.48 0.77 -1.07 0.00 0.00 179.97 179.28 2jm3 h SER 16 N 0.00 0.00 0.32 7.04 0.02 -1.72 -3.33 113.55 115.88 2jm3 h SER 16 Ca 0.00 -0.14 -0.33 0.00 -0.84 0.00 0.00 61.79 60.49 2jm3 h SER 16 Cb 0.82 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.32 2jm3 h SER 16 CO 0.00 0.07 -1.85 -1.14 -1.14 0.00 0.00 176.83 172.77 2jm3 n ARG 17 N -2.25 0.69 -2.74 3.45 0.63 -0.63 -4.79 116.66 111.02 2jm3 n ARG 17 Ca 0.04 0.28 -0.43 0.00 -0.92 0.00 0.00 57.85 56.82 2jm3 n ARG 17 Cb 0.45 -1.75 -0.04 0.00 0.45 0.00 0.00 32.46 31.58 2jm3 n ARG 17 CO 0.00 0.00 0.00 0.71 -2.51 0.00 0.00 177.63 175.83 2jm3 s TYR 18 N -2.58 2.75 0.09 -0.14 2.02 -0.46 -5.03 117.35 114.01 2jm3 s TYR 18 Ca -0.13 0.21 0.01 0.00 -0.37 0.00 0.00 57.07 56.79 2jm3 s TYR 18 Cb 0.07 -4.21 -0.04 0.00 -0.40 0.00 0.00 41.96 37.38 2jm3 s TYR 18 CO 0.80 -1.39 0.21 0.50 -1.57 0.00 0.00 175.55 174.10 2jm3 s ARG 19 N 4.26 3.34 0.00 -0.62 6.06 -1.26 -4.28 118.95 126.46 2jm3 s ARG 19 Ca 0.36 -0.53 0.00 0.00 -2.50 0.00 0.00 55.73 53.06 2jm3 s ARG 19 Cb -0.10 -2.97 0.00 0.00 0.06 0.00 0.00 34.95 31.94 2jm3 s ARG 19 CO 0.23 0.58 0.00 0.41 -2.50 0.00 0.00 175.30 174.02 2jm3 n GLY 20 N 0.10 1.35 3.10 8.12 0.00 -1.26 -4.75 105.19 111.84 2jm3 n GLY 20 Ca -0.06 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 2jm3 n GLY 20 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2jm3 s LEU 21 N 0.00 -0.44 0.00 0.99 0.05 -1.26 -5.02 118.68 113.00 2jm3 s LEU 21 Ca 0.00 0.73 0.00 0.00 0.05 0.00 0.00 54.13 54.91 2jm3 s LEU 21 Cb 0.00 0.95 0.00 0.00 -2.05 0.00 0.00 46.19 45.09 2jm3 s LEU 21 CO 0.00 -0.24 0.22 -1.84 -0.55 0.00 0.00 176.35 173.94 2jm3 n GLU 22 N 5.37 0.29 0.00 1.48 -0.00 -1.26 -4.72 120.64 121.79 2jm3 n GLU 22 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.09 2jm3 n GLU 22 Cb 0.50 -1.26 0.00 0.00 -0.00 0.00 0.00 31.44 30.68 2jm3 n GLU 22 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2jm3 n ASP 23 N 0.62 0.00 -3.51 -1.84 2.03 -1.26 -3.78 116.55 108.80 2jm3 n ASP 23 Ca 0.00 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.10 2jm3 n ASP 23 Cb 0.11 -0.07 0.08 0.00 -0.72 0.00 0.00 41.12 40.52 2jm3 n ASP 23 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 2jm3 n ASN 24 N 0.33 -4.25 -4.41 1.67 5.15 -1.26 -4.92 115.26 107.58 2jm3 n ASN 24 Ca 0.00 -0.58 -0.37 0.00 -0.60 0.00 0.00 54.58 53.04 2jm3 n ASN 24 Cb 0.00 -5.08 0.06 0.00 -0.53 0.00 0.00 39.78 34.23 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 -4.58 0.25 -2.62 1.20 1.74 -1.25 -4.87 116.66 106.54 2jm3 n ARG 25 Ca -0.14 0.12 -0.41 0.00 -0.77 0.00 0.00 57.85 56.64 2jm3 n ARG 25 Cb 0.61 -1.66 -0.03 0.00 -1.02 0.00 0.00 32.46 30.36 2jm3 n ARG 25 CO 0.00 0.00 0.00 -1.01 -1.52 0.00 0.00 177.63 175.10 2jm3 s HIS 26 N -1.92 2.37 -0.52 -1.55 3.76 -1.26 -4.87 115.29 111.31 2jm3 s HIS 26 Ca 0.63 -0.15 -0.28 0.00 -0.15 0.00 0.00 55.06 55.10 2jm3 s HIS 26 Cb -0.36 -4.55 0.02 0.00 1.11 0.00 0.00 32.58 28.79 2jm3 s HIS 26 CO 0.61 -1.98 1.30 -0.06 -0.85 0.00 0.00 174.74 173.76 2jm3 s PHE 27 N 5.37 2.50 0.17 1.40 0.08 -1.26 -2.69 117.98 123.54 2jm3 s PHE 27 Ca 0.32 0.55 -0.30 0.00 0.12 0.00 0.00 56.93 57.63 2jm3 s PHE 27 Cb -0.10 -4.42 -0.07 0.00 -0.57 0.00 0.00 43.02 37.86 2jm3 s PHE 27 CO 0.14 -1.74 0.98 0.71 -0.10 0.00 0.00 175.22 175.21 2jm3 s TYR 28 N 5.32 3.84 -0.62 0.36 2.02 0.12 -4.82 117.35 123.57 2jm3 s TYR 28 Ca 0.51 1.81 0.02 0.00 -0.37 0.00 0.00 57.07 59.05 2jm3 s TYR 28 Cb -0.10 -3.06 0.16 0.00 -0.40 0.00 0.00 41.96 38.56 2jm3 s TYR 28 CO 0.28 0.17 0.88 0.54 -1.57 0.00 0.00 175.55 175.85 2jm3 n ARG 29 N 2.23 1.63 -2.22 -0.62 3.00 -1.26 -2.64 116.66 116.78 2jm3 n ARG 29 Ca 0.01 -0.63 -0.01 0.00 -0.01 0.00 0.00 57.85 57.21 2jm3 n ARG 29 Cb 0.48 -1.53 -0.01 0.00 0.00 0.00 0.00 32.46 31.39 2jm3 n ARG 29 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 2jm3 n ILE 30 N 0.14-11.72 -1.66 0.55 -0.00 -1.26 -4.89 119.36 100.52 2jm3 n ILE 30 Ca 0.08 2.63 -0.45 0.00 -0.00 0.00 0.00 62.75 65.00 2jm3 n ILE 30 Cb 0.53 -5.78 -0.02 0.00 -0.00 0.00 0.00 39.64 34.36 2jm3 n ILE 30 CO 0.00 0.00 0.00 -2.65 -0.00 0.00 0.00 176.55 173.90 2jm3 n PRO 31 N 1.53 1.89 -0.03 0.38 -0.02 -1.26 -4.89 135.00 132.61 2jm3 n PRO 31 Ca -0.10 0.67 0.02 0.00 -2.02 0.00 0.00 63.50 62.08 2jm3 n PRO 31 Cb 0.15 -2.28 0.04 0.00 -0.02 0.00 0.00 33.50 31.39 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 1.73 2.64 -3.63 -0.52 5.02 -1.26 -4.22 118.16 117.92 2jm3 n LYS 32 Ca 0.11 -1.77 -0.14 0.00 -2.02 0.00 0.00 58.31 54.49 2jm3 n LYS 32 Cb 0.31 -1.13 -0.13 0.00 -0.02 0.00 0.00 35.03 34.06 2jm3 n LYS 32 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2jm3 s ARG 33 N -1.41 0.14 0.82 1.97 0.52 -1.26 -3.88 118.95 115.85 2jm3 s ARG 33 Ca 0.08 0.65 -0.12 0.00 -0.52 0.00 0.00 55.73 55.82 2jm3 s ARG 33 Cb 0.07 -0.23 0.08 0.00 0.52 0.00 0.00 34.95 35.39 2jm3 s ARG 33 CO 0.01 -0.35 1.11 -2.14 0.02 0.00 0.00 175.30 173.96 2jm3 s PRO 34 N 2.40 1.93 0.27 3.54 0.02 -1.26 -4.93 135.00 136.96 2jm3 s PRO 34 Ca 0.03 0.50 -0.02 0.00 0.02 0.00 0.00 61.00 61.52 2jm3 s PRO 34 Cb -0.13 -1.91 0.36 0.00 0.02 0.00 0.00 34.50 32.84 2jm3 s PRO 34 CO -0.09 -1.70 1.81 1.25 -0.33 0.00 0.00 177.00 177.95 2jm3 h LEU 35 N -1.14 0.82 -0.65 -5.54 5.85 -1.95 -2.03 115.31 110.66 2jm3 h LEU 35 Ca -0.48 -0.15 -0.13 0.00 0.84 0.00 0.00 57.88 57.97 2jm3 h LEU 35 Cb 1.29 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.09 2jm3 h LEU 35 CO 0.61 0.79 -0.36 0.40 -0.34 0.00 0.00 178.44 179.54 2jm3 h ILE 36 N 0.85 1.29 -0.75 4.05 1.08 -1.98 0.62 117.51 122.67 2jm3 h ILE 36 Ca 0.19 -1.51 -0.03 0.00 -0.39 0.00 0.00 64.86 63.11 2jm3 h ILE 36 Cb 0.29 1.46 -0.03 0.00 -3.07 0.00 0.00 36.82 35.47 2jm3 h ILE 36 CO -0.00 0.49 0.35 0.25 -0.69 0.00 0.00 178.15 178.54 2jm3 h LEU 37 N 0.54 1.00 -0.99 1.44 5.85 -1.86 -0.08 115.31 121.21 2jm3 h LEU 37 Ca 0.05 -0.14 -0.10 0.00 0.84 0.00 0.00 57.88 58.53 2jm3 h LEU 37 Cb 0.87 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.63 2jm3 h LEU 37 CO 0.08 0.86 -0.33 -0.09 -0.34 0.00 0.00 178.44 178.62 2jm3 h ARG 38 N 1.07 0.32 -0.58 1.25 2.43 -0.99 -0.19 114.38 117.70 2jm3 h ARG 38 Ca 0.26 -0.13 -0.09 0.00 -0.81 0.00 0.00 59.98 59.20 2jm3 h ARG 38 Cb 0.14 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.65 2jm3 h ARG 38 CO -0.03 0.62 -0.01 0.37 -1.51 0.00 0.00 179.97 179.41 2jm3 h GLN 39 N 0.28 1.02 0.00 0.20 5.75 -0.24 -1.98 115.11 120.15 2jm3 h GLN 39 Ca 0.04 -0.33 -0.10 0.00 -0.15 0.00 0.00 58.65 58.11 2jm3 h GLN 39 Cb 0.72 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.16 2jm3 h GLN 39 CO 0.05 1.02 -0.48 0.00 -2.65 0.00 0.00 178.83 176.78 2jm3 h ARG 40 N 0.91 0.00 -0.60 1.69 2.47 -0.68 -1.67 114.38 116.51 2jm3 h ARG 40 Ca 0.16 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.87 2jm3 h ARG 40 Cb 0.56 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.85 2jm3 h ARG 40 CO 0.03 0.48 0.33 -1.49 0.56 0.00 0.00 179.97 179.88 2jm3 h TRP 41 N 0.00 0.83 0.00 3.04 4.06 -0.57 -1.87 115.95 121.44 2jm3 h TRP 41 Ca -0.00 -0.02 -0.05 0.00 2.06 0.00 0.00 58.89 60.88 2jm3 h TRP 41 Cb 0.86 -0.26 -0.01 0.00 -1.00 0.00 0.00 29.16 28.75 2jm3 h TRP 41 CO 0.00 0.60 -0.23 -0.07 -3.56 0.00 0.00 178.44 175.18 2jm3 h LEU 42 N 0.82 0.00 -0.81 -4.49 3.38 -1.09 -3.11 115.31 110.01 2jm3 h LEU 42 Ca 0.21 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.21 2jm3 h LEU 42 Cb 0.04 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.75 2jm3 h LEU 42 CO -0.03 0.23 0.52 0.74 0.09 0.00 0.00 178.44 179.99 2jm3 h THR 43 N 0.00 1.15 -0.30 0.22 2.02 -0.46 0.01 112.91 115.55 2jm3 h THR 43 Ca -0.00 -0.35 -0.08 0.00 0.77 0.00 0.00 66.41 66.75 2jm3 h THR 43 Cb 0.79 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 2jm3 h THR 43 CO 0.03 0.19 -0.12 0.00 0.37 0.00 0.00 175.52 175.99 2jm3 h ALA 44 N 1.33 0.41 0.00 6.16 0.00 -1.45 -2.84 119.26 122.87 2jm3 h ALA 44 Ca 0.32 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jm3 h ALA 44 Cb -0.02 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2jm3 h ALA 44 CO -0.10 0.28 0.00 0.44 0.00 0.00 0.00 179.25 179.87 2jm3 n ILE 45 N -4.43 0.11 -2.86 0.00 -5.35 -1.14 -4.91 119.36 100.78 2jm3 n ILE 45 Ca -0.03 -0.04 -0.15 0.00 -0.27 0.00 0.00 62.75 62.26 2jm3 n ILE 45 Cb 0.36 -0.52 0.03 0.00 -1.74 0.00 0.00 39.64 37.76 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 -0.07 3.53 3.28 0.00 -0.10 -4.59 105.19 108.67 2jm3 n GLY 46 Ca 0.07 -0.17 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 2jm3 n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jm3 s ARG 47 N -5.42 1.87 0.47 1.61 0.52 -0.64 -5.04 118.95 112.33 2jm3 s ARG 47 Ca 0.24 -2.12 0.03 0.00 -0.52 0.00 0.00 55.73 53.37 2jm3 s ARG 47 Cb -0.11 -0.85 -0.04 0.00 0.52 0.00 0.00 34.95 34.48 2jm3 s ARG 47 CO 0.30 -0.35 0.01 0.99 0.02 0.00 0.00 175.30 176.26 2jm3 s THR 48 N -3.18 1.49 0.40 0.02 2.01 -1.26 -4.49 115.64 110.62 2jm3 s THR 48 Ca 0.26 -2.00 0.31 0.00 0.31 0.00 0.00 61.69 60.58 2jm3 s THR 48 Cb 0.05 -2.48 0.34 0.00 0.01 0.00 0.00 72.50 70.41 2jm3 s THR 48 CO 0.13 0.00 2.10 1.05 -0.69 0.00 0.00 174.62 177.22 2jm3 h GLU 49 N 1.51 0.00 0.00 4.92 4.11 -1.98 -1.21 114.58 121.92 2jm3 h GLU 49 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.99 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 0.77 0.08 0.00 -1.91 0.07 0.00 0.00 179.01 178.02 2jm3 n GLU 50 N -3.45 0.12 0.00 1.06 2.13 -1.26 -3.30 120.64 115.93 2jm3 n GLU 50 Ca -0.02 0.11 0.00 0.00 0.66 0.00 0.00 57.16 57.92 2jm3 n GLU 50 Cb 0.22 -1.64 0.00 0.00 0.27 0.00 0.00 31.44 30.29 2jm3 n GLU 50 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2jm3 n THR 51 N -1.85 0.44 -0.04 6.31 -2.24 -0.52 -4.76 114.28 111.62 2jm3 n THR 51 Ca 0.06 -0.70 -0.05 0.00 -2.27 0.00 0.00 64.05 61.09 2jm3 n THR 51 Cb 0.37 0.80 -0.06 0.00 -2.10 0.00 0.00 70.33 69.34 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 -0.22 0.55 -2.63 2.28 3.14 -0.85 -4.76 118.33 115.85 2jm3 n VAL 52 Ca 0.00 -0.29 -0.43 0.00 -2.96 0.00 0.00 64.34 60.66 2jm3 n VAL 52 Cb 0.12 -0.82 0.00 0.00 -1.06 0.00 0.00 33.84 32.09 2jm3 n VAL 52 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 2jm3 n VAL 53 N -2.50 4.57 0.00 1.55 3.14 -1.21 -3.99 118.33 119.89 2jm3 n VAL 53 Ca -0.15 -4.85 0.00 0.00 -2.96 0.00 0.00 64.34 56.38 2jm3 n VAL 53 Cb 0.73 -2.32 0.00 0.00 -1.06 0.00 0.00 33.84 31.18 2jm3 n VAL 53 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2jm3 n SER 54 N 3.50 0.00 0.02 6.55 7.64 -1.26 -4.98 113.62 125.08 2jm3 n SER 54 Ca 0.35 0.00 0.11 0.00 1.01 0.00 0.00 58.87 60.35 2jm3 n SER 54 Cb 0.37 0.00 0.12 0.00 -1.01 0.00 0.00 64.21 63.69 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 0.00 0.13 -2.13 1.43 -0.00 -1.26 -4.90 117.38 110.65 2jm3 n GLN 55 Ca 0.00 0.01 -0.42 0.00 -0.00 0.00 0.00 57.00 56.59 2jm3 n GLN 55 Cb 0.00 -1.55 -0.03 0.00 -0.00 0.00 0.00 30.24 28.66 2jm3 n GLN 55 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2jm3 s LEU 56 N -3.46 4.37 0.10 2.61 1.02 -1.26 -4.45 118.68 117.61 2jm3 s LEU 56 Ca 0.08 2.36 0.01 0.00 0.02 0.00 0.00 54.13 56.60 2jm3 s LEU 56 Cb 0.16 -3.58 -0.04 0.00 0.02 0.00 0.00 46.19 42.74 2jm3 s LEU 56 CO 0.76 -0.70 -0.04 -0.60 0.02 0.00 0.00 176.35 175.79 2jm3 s ARG 57 N 1.29 0.82 -0.04 1.70 6.06 -1.10 -4.85 118.95 122.84 2jm3 s ARG 57 Ca 0.66 -1.34 0.05 0.00 -2.50 0.00 0.00 55.73 52.59 2jm3 s ARG 57 Cb -0.38 -0.09 -0.01 0.00 0.06 0.00 0.00 34.95 34.54 2jm3 s ARG 57 CO 0.30 -0.07 -0.18 0.42 -2.50 0.00 0.00 175.30 173.27 2jm3 s ILE 58 N -3.73 1.49 0.54 4.11 -1.09 -1.08 -0.30 121.20 121.15 2jm3 s ILE 58 Ca 0.13 -0.76 -0.17 0.00 -2.23 0.00 0.00 60.65 57.62 2jm3 s ILE 58 Cb 0.06 -1.28 -0.06 0.00 -1.58 0.00 0.00 42.46 39.61 2jm3 s ILE 58 CO -0.04 0.43 1.03 0.00 -1.23 0.00 0.00 174.94 175.13 2jm3 h SER 60 N 0.90 0.00 0.59 0.00 4.64 -1.84 -3.01 113.55 114.82 2jm3 h SER 60 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2jm3 h SER 60 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2jm3 h SER 60 CO 0.59 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.55 2jm3 n ALA 61 N -1.81 2.23 0.46 5.18 0.00 -1.26 -3.32 120.51 121.98 2jm3 n ALA 61 Ca 0.03 -0.11 0.03 0.00 0.00 0.00 0.00 53.44 53.39 2jm3 n ALA 61 Cb 0.31 -1.41 0.14 0.00 0.00 0.00 0.00 19.45 18.49 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 -1.35 0.69 -4.43 0.00 -0.00 -1.14 -4.74 115.22 104.25 2jm3 n HIS 62 Ca 0.10 -0.25 -0.22 0.00 -0.00 0.00 0.00 57.72 57.35 2jm3 n HIS 62 Cb 0.23 -0.21 -0.09 0.00 -0.00 0.00 0.00 29.99 29.92 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 1.76 -0.62 4.41 0.40 -1.21 -0.75 117.98 120.33 2jm3 s PHE 63 Ca 0.19 -1.21 -0.26 0.00 -0.60 0.00 0.00 56.93 55.05 2jm3 s PHE 63 Cb 0.14 -1.09 -0.03 0.00 0.51 0.00 0.00 43.02 42.55 2jm3 s PHE 63 CO 0.07 -0.28 1.97 -2.00 0.70 0.00 0.00 175.22 175.68 2jm3 s GLU 64 N -3.82 2.51 0.00 0.44 2.12 -1.26 -3.84 118.70 114.85 2jm3 s GLU 64 Ca 0.31 0.68 0.00 0.00 0.36 0.00 0.00 54.97 56.32 2jm3 s GLU 64 Cb 0.05 -4.48 0.00 0.00 0.26 0.00 0.00 34.13 29.96 2jm3 s GLU 64 CO 0.15 -2.91 0.00 0.41 -0.54 0.00 0.00 175.26 172.37 2jm3 n GLY 65 N 5.86 1.84 0.00 -1.50 0.00 -1.26 -3.81 105.19 106.33 2jm3 n GLY 65 Ca 0.25 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 3.21 -0.02 0.00 -1.25 -4.84 105.19 102.29 2jm3 n GLY 66 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 2jm3 n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jm3 s GLU 67 N 0.00 2.73 -0.54 1.61 0.41 -1.25 -4.97 118.70 116.69 2jm3 s GLU 67 Ca 0.00 -0.83 -0.15 0.00 -0.41 0.00 0.00 54.97 53.58 2jm3 s GLU 67 Cb 0.00 -2.14 0.13 0.00 -1.78 0.00 0.00 34.13 30.34 2jm3 s GLU 67 CO 0.00 0.22 0.48 0.21 -0.49 0.00 0.00 175.26 175.69 2jm3 s LYS 68 N 0.22 2.93 0.00 1.61 2.47 -1.26 -4.70 119.74 121.01 2jm3 s LYS 68 Ca -0.14 -1.73 0.00 0.00 -1.56 0.00 0.00 55.97 52.54 2jm3 s LYS 68 Cb -0.16 -4.25 0.00 0.00 -1.46 0.00 0.00 37.83 31.96 2jm3 s LYS 68 CO 0.07 -1.31 0.00 1.63 0.16 0.00 0.00 175.35 175.90 2jm3 n LYS 69 N 5.18 2.62 -2.96 4.03 4.76 -1.26 -5.03 118.16 125.51 2jm3 n LYS 69 Ca -0.13 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 54.95 2jm3 n LYS 69 Cb 0.40 0.00 -0.01 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 0.00 4.19 0.00 1.97 4.71 -1.26 -4.48 120.64 125.77 2jm3 n GLU 70 Ca 0.00 -4.68 0.00 0.00 -0.01 0.00 0.00 57.16 52.47 2jm3 n GLU 70 Cb 0.00 -2.40 0.00 0.00 -1.01 0.00 0.00 31.44 28.03 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 0.49 0.30 3.69 0.62 0.00 -1.26 -4.09 105.19 104.94 2jm3 n GLY 71 Ca 0.34 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.94 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 0.00 6.64 -0.08 1.61 1.11 -1.26 0.03 116.67 124.71 2jm3 s ASP 72 Ca 0.00 2.44 -0.02 0.00 0.18 0.00 0.00 52.55 55.15 2jm3 s ASP 72 Cb 0.00 -2.57 -0.03 0.00 1.07 0.00 0.00 42.92 41.39 2jm3 s ASP 72 CO 0.00 -0.85 0.03 -0.63 1.18 0.00 0.00 175.17 174.90 2jm3 s ILE 73 N 2.41 4.53 -0.37 0.77 1.01 -0.46 -4.90 121.20 124.19 2jm3 s ILE 73 Ca 0.72 -0.19 -0.28 0.00 0.00 0.00 0.00 60.65 60.90 2jm3 s ILE 73 Cb -0.39 -2.93 -0.02 0.00 0.01 0.00 0.00 42.46 39.12 2jm3 s ILE 73 CO 0.31 0.59 1.87 -2.16 0.00 0.00 0.00 174.94 175.54 2jm3 s PRO 74 N -0.98 3.15 0.33 2.79 0.04 -1.26 -4.44 135.00 134.62 2jm3 s PRO 74 Ca 0.14 1.34 0.03 0.00 0.04 0.00 0.00 61.00 62.56 2jm3 s PRO 74 Cb -0.11 -4.26 -0.02 0.00 0.04 0.00 0.00 34.50 30.15 2jm3 s PRO 74 CO 0.03 -2.08 0.49 0.14 0.04 0.00 0.00 177.00 175.63 2jm3 s VAL 75 N 7.58 4.76 0.43 -0.36 -7.23 0.07 -4.68 120.40 120.95 2jm3 s VAL 75 Ca 0.80 -0.76 0.12 0.00 -1.81 0.00 0.00 61.98 60.33 2jm3 s VAL 75 Cb -0.21 -3.70 0.19 0.00 0.56 0.00 0.00 36.38 33.21 2jm3 s VAL 75 CO 0.31 -0.36 1.98 -0.65 -0.31 0.00 0.00 175.10 176.07 2jm3 h PRO 76 N 0.86 0.14 -0.70 4.82 0.11 -1.90 -3.42 132.00 131.91 2jm3 h PRO 76 Ca -0.49 -0.03 0.19 0.00 0.11 0.00 0.00 66.00 65.78 2jm3 h PRO 76 Cb 1.24 -0.02 -0.22 0.00 0.11 0.00 0.00 31.00 32.10 2jm3 h PRO 76 CO 0.59 0.26 0.10 0.34 -0.21 0.00 0.00 178.00 179.08 2jm3 s ASP 77 N -6.94 -0.66 0.17 -2.05 -1.08 -1.26 -4.78 116.67 100.08 2jm3 s ASP 77 Ca -0.05 0.58 0.17 0.00 -0.52 0.00 0.00 52.55 52.73 2jm3 s ASP 77 Cb 0.16 1.62 0.78 0.00 -1.46 0.00 0.00 42.92 44.02 2jm3 s ASP 77 CO 0.71 -0.12 1.53 -0.81 0.52 0.00 0.00 175.17 177.00 2jm3 n PRO 78 N 5.28 0.10 -0.00 4.34 -0.04 -1.26 0.18 135.00 143.60 2jm3 n PRO 78 Ca -0.07 0.44 0.06 0.00 -0.04 0.00 0.00 63.50 63.89 2jm3 n PRO 78 Cb 0.53 -1.74 -0.08 0.00 -0.04 0.00 0.00 33.50 32.17 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 -1.94 0.00 -0.05 0.52 -2.24 -1.26 -4.70 114.28 104.61 2jm3 n THR 79 Ca 0.01 -0.20 -0.09 0.00 -2.27 0.00 0.00 64.05 61.51 2jm3 n THR 79 Cb 0.14 0.96 -0.04 0.00 -2.10 0.00 0.00 70.33 69.29 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 -1.34 0.51 -3.20 2.28 0.31 -0.78 -5.06 118.33 111.05 2jm3 n VAL 80 Ca 0.02 -0.15 -0.18 0.00 -0.01 0.00 0.00 64.34 64.02 2jm3 n VAL 80 Cb 0.21 -1.40 0.00 0.00 -0.91 0.00 0.00 33.84 31.75 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 -5.56 5.79 -0.71 4.52 2.15 0.13 -5.02 116.67 117.97 2jm3 s ASP 81 Ca -0.13 -0.30 -0.26 0.00 0.43 0.00 0.00 52.55 52.29 2jm3 s ASP 81 Cb 0.04 -0.93 0.00 0.00 -0.30 0.00 0.00 42.92 41.74 2jm3 s ASP 81 CO 0.18 -0.63 1.62 -0.75 -0.17 0.00 0.00 175.17 175.42 2jm3 s LYS 82 N -4.29 2.89 -0.30 4.34 2.20 -1.26 -4.62 119.74 118.71 2jm3 s LYS 82 Ca 0.51 0.10 -0.33 0.00 -0.36 0.00 0.00 55.97 55.89 2jm3 s LYS 82 Cb -0.10 -4.43 -0.09 0.00 -1.51 0.00 0.00 37.83 31.70 2jm3 s LYS 82 CO 0.32 -2.53 2.19 0.94 -0.36 0.00 0.00 175.35 175.91 2jm3 n GLN 83 N 9.21 1.37 -2.70 4.03 -0.06 -1.26 -4.93 117.38 123.05 2jm3 n GLN 83 Ca 0.16 0.38 -0.42 0.00 -2.00 0.00 0.00 57.00 55.13 2jm3 n GLN 83 Cb 0.50 -2.70 -0.03 0.00 -4.06 0.00 0.00 30.24 23.95 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 7.49 4.73 -0.02 1.69 1.09 -1.26 -5.01 121.20 129.91 2jm3 s ILE 84 Ca 1.06 2.04 0.00 0.00 -1.10 0.00 0.00 60.65 62.65 2jm3 s ILE 84 Cb -0.70 -4.30 0.02 0.00 -1.06 0.00 0.00 42.46 36.42 2jm3 s ILE 84 CO 0.45 0.20 0.00 -1.59 -0.10 0.00 0.00 174.94 173.91 2jm3 s LYS 85 N 0.72 0.17 0.04 2.79 -2.85 -1.26 -1.35 119.74 118.00 2jm3 s LYS 85 Ca 0.51 0.06 -0.19 0.00 -1.00 0.00 0.00 55.97 55.36 2jm3 s LYS 85 Cb -0.22 -0.32 -0.06 0.00 -2.06 0.00 0.00 37.83 35.17 2jm3 s LYS 85 CO 0.29 -0.09 0.55 0.42 0.10 0.00 0.00 175.35 176.61 2jm3 s ILE 86 N 0.73 4.84 -0.69 3.79 1.01 0.10 -4.97 121.20 126.02 2jm3 s ILE 86 Ca -0.07 1.15 -0.24 0.00 0.00 0.00 0.00 60.65 61.50 2jm3 s ILE 86 Cb -0.10 -3.87 0.06 0.00 0.01 0.00 0.00 42.46 38.56 2jm3 s ILE 86 CO -0.02 0.52 1.05 -1.61 0.00 0.00 0.00 174.94 174.88 2jm3 s GLU 87 N -0.82 3.14 0.13 2.79 0.41 -1.26 -4.23 118.70 118.86 2jm3 s GLU 87 Ca 0.28 -0.71 -0.31 0.00 -0.41 0.00 0.00 54.97 53.83 2jm3 s GLU 87 Cb -0.19 -4.24 -0.08 0.00 -1.78 0.00 0.00 34.13 27.84 2jm3 s GLU 87 CO 0.17 -1.90 1.41 -1.17 -0.49 0.00 0.00 175.26 173.28 2jm3 s LEU 88 N 4.46 4.37 0.43 1.80 2.96 -1.26 -4.97 118.68 126.48 2jm3 s LEU 88 Ca 0.26 2.38 -0.24 0.00 -0.22 0.00 0.00 54.13 56.30 2jm3 s LEU 88 Cb -0.14 -3.59 -0.10 0.00 0.50 0.00 0.00 46.19 42.85 2jm3 s LEU 88 CO 0.11 -0.67 1.00 -2.65 -1.32 0.00 0.00 176.35 172.82 2jm3 n PRO 89 N 3.83 1.31 -1.55 0.98 -0.02 -1.26 -4.78 135.00 133.51 2jm3 n PRO 89 Ca 0.11 0.47 -0.35 0.00 -2.02 0.00 0.00 63.50 61.71 2jm3 n PRO 89 Cb 0.42 -2.04 -0.04 0.00 -0.02 0.00 0.00 33.50 31.81 2jm3 n PRO 89 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2jm3 n PRO 90 N 0.08 0.91 0.00 0.52 -0.04 -1.26 -5.25 135.00 129.96 2jm3 n PRO 90 Ca 0.10 -0.05 0.13 0.00 -0.04 0.00 0.00 63.50 63.64 2jm3 n PRO 90 Cb 0.40 -3.27 0.36 0.00 -0.04 0.00 0.00 33.50 30.94 2jm3 n PRO 90 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63