#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 0.00 -3.58 1.61 3.41 -1.26 -5.14 113.62 108.66 2jm3 n SER 2 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.50 2jm3 n SER 2 Cb 0.00 0.14 -0.05 0.00 -0.26 0.00 0.00 64.21 64.04 2jm3 n SER 2 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 2jm3 s MET 3 N -1.69 0.61 -0.93 4.33 -2.45 -1.26 -5.07 119.30 112.83 2jm3 s MET 3 Ca 0.00 0.22 -0.25 0.00 -1.25 0.00 0.00 55.69 54.40 2jm3 s MET 3 Cb 0.00 0.29 -0.14 0.00 1.25 0.00 0.00 34.83 36.23 2jm3 s MET 3 CO 0.00 -0.17 2.18 -2.14 1.05 0.00 0.00 175.02 175.94 2jm3 s PRO 4 N -0.92 1.79 0.00 4.11 0.02 -1.26 -4.90 135.00 133.84 2jm3 s PRO 4 Ca -0.02 -0.10 -0.32 0.00 0.02 0.00 0.00 61.00 60.58 2jm3 s PRO 4 Cb -0.01 -4.95 -0.11 0.00 0.02 0.00 0.00 34.50 29.45 2jm3 s PRO 4 CO 0.01 -4.45 1.88 2.41 -0.33 0.00 0.00 177.00 176.52 2jm3 n THR 5 N 8.55 0.56 -3.46 0.99 -1.04 -1.26 -4.96 114.28 113.67 2jm3 n THR 5 Ca 0.44 -0.10 -0.38 0.00 -2.04 0.00 0.00 64.05 61.97 2jm3 n THR 5 Cb 0.45 -2.02 -0.06 0.00 -1.82 0.00 0.00 70.33 66.88 2jm3 n THR 5 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2jm3 s THR 6 N 3.73 4.98 0.61 12.58 2.01 -1.26 -4.82 115.64 133.47 2jm3 s THR 6 Ca 0.89 0.91 -0.15 0.00 0.31 0.00 0.00 61.69 63.64 2jm3 s THR 6 Cb -0.58 -3.75 -0.03 0.00 0.01 0.00 0.00 72.50 68.16 2jm3 s THR 6 CO 0.45 0.57 1.06 0.00 -0.69 0.00 0.00 174.62 176.02 2jm3 n GLY 8 N -1.04 1.53 3.79 0.00 0.00 -0.74 -4.72 105.19 104.02 2jm3 n GLY 8 Ca 0.09 -0.56 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.23 3.19 0.56 1.61 5.36 -1.26 -4.94 117.98 121.27 2jm3 s PHE 9 Ca 0.29 1.62 0.25 0.00 -0.96 0.00 0.00 56.93 58.13 2jm3 s PHE 9 Cb 0.17 -3.09 1.57 0.00 -0.34 0.00 0.00 43.02 41.33 2jm3 s PHE 9 CO 0.24 -0.65 2.14 -1.00 -1.46 0.00 0.00 175.22 174.49 2jm3 h PRO 10 N 2.16 0.00 -1.09 10.12 0.13 -1.86 -3.37 132.00 138.09 2jm3 h PRO 10 Ca -0.49 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.59 2jm3 h PRO 10 Cb 1.21 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.13 2jm3 h PRO 10 CO 0.61 0.00 -0.44 1.21 -0.23 0.00 0.00 178.00 179.15 2jm3 s ASN 11 N -6.28 -1.32 -0.48 1.44 3.84 -1.26 -5.11 114.94 105.77 2jm3 s ASN 11 Ca -0.05 -0.44 -0.20 0.00 0.21 0.00 0.00 52.86 52.39 2jm3 s ASN 11 Cb 0.16 1.87 0.04 0.00 -0.55 0.00 0.00 41.25 42.78 2jm3 s ASN 11 CO 0.60 -0.23 0.63 0.00 -2.79 0.00 0.00 177.10 175.31 2jm3 n LYS 13 N 6.21 1.50 0.14 0.00 0.00 -1.26 -4.12 118.16 120.62 2jm3 n LYS 13 Ca -0.05 -0.75 -0.25 0.00 -0.00 0.00 0.00 58.31 57.27 2jm3 n LYS 13 Cb 0.46 -1.48 -0.16 0.00 -0.00 0.00 0.00 35.03 33.85 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 1.83 0.95 0.00 5.58 0.04 -1.95 -2.82 116.94 120.57 2jm3 h PHE 14 Ca 0.00 -0.69 -0.05 0.00 2.80 0.00 0.00 57.97 60.03 2jm3 h PHE 14 Cb 0.40 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.50 2jm3 h PHE 14 CO 0.00 1.59 -0.24 0.00 -0.60 0.00 0.00 178.31 179.06 2jm3 h ARG 15 N 0.14 0.00 0.00 1.51 3.08 -1.98 -2.58 114.38 114.54 2jm3 h ARG 15 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.78 2jm3 h ARG 15 Cb 2.16 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.21 2jm3 h ARG 15 CO 0.26 0.24 -0.67 0.43 -1.07 0.00 0.00 179.97 179.16 2jm3 n SER 16 N -3.98 0.60 0.00 7.04 7.64 -1.23 -2.35 113.62 121.33 2jm3 n SER 16 Ca -0.02 -0.20 0.11 0.00 1.01 0.00 0.00 58.87 59.77 2jm3 n SER 16 Cb 0.31 0.39 0.66 0.00 -1.01 0.00 0.00 64.21 64.56 2jm3 n SER 16 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2jm3 n ARG 17 N -1.74 0.62 -0.04 1.43 1.85 -0.97 -0.86 116.66 116.95 2jm3 n ARG 17 Ca 0.04 0.02 0.02 0.00 -1.00 0.00 0.00 57.85 56.93 2jm3 n ARG 17 Cb 0.38 -1.50 0.02 0.00 -1.05 0.00 0.00 32.46 30.31 2jm3 n ARG 17 CO 0.00 0.00 0.00 2.48 -0.01 0.00 0.00 177.63 180.10 2jm3 n TYR 18 N -1.07 0.00 -3.86 2.89 0.18 -1.26 -5.01 117.16 109.04 2jm3 n TYR 18 Ca 0.16 -0.44 -0.30 0.00 1.88 0.00 0.00 57.90 59.20 2jm3 n TYR 18 Cb 0.10 -0.05 0.01 0.00 -0.38 0.00 0.00 39.34 39.02 2jm3 n TYR 18 CO 0.00 0.00 0.00 -2.13 -2.08 0.00 0.00 176.86 172.65 2jm3 n ARG 19 N -0.51 -4.48 0.00 -3.48 3.00 -0.04 -4.79 116.66 106.36 2jm3 n ARG 19 Ca 0.03 0.53 0.00 0.00 -0.00 0.00 0.00 57.85 58.40 2jm3 n ARG 19 Cb 0.39 -5.34 0.00 0.00 0.00 0.00 0.00 32.46 27.51 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 -1.51 0.00 2.69 5.14 0.00 -1.25 -5.02 105.19 105.25 2jm3 n GLY 20 Ca 0.04 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.01 -2.33 -4.45 0.99 4.77 -0.99 -4.97 117.00 108.01 2jm3 n LEU 21 Ca 0.00 -0.18 -0.43 0.00 -0.03 0.00 0.00 56.01 55.36 2jm3 n LEU 21 Cb 0.15 -2.62 -0.05 0.00 -2.33 0.00 0.00 43.42 38.57 2jm3 n LEU 21 CO 0.00 0.09 0.60 -0.70 -1.33 0.00 0.00 177.39 176.06 2jm3 s GLU 22 N -5.35 3.15 -0.01 3.23 -6.30 -1.26 -4.87 118.70 107.29 2jm3 s GLU 22 Ca 0.19 -0.81 -0.00 0.00 -2.50 0.00 0.00 54.97 51.85 2jm3 s GLU 22 Cb -0.08 -4.17 -0.00 0.00 0.00 0.00 0.00 34.13 29.88 2jm3 s GLU 22 CO 0.23 -1.57 0.95 -0.40 0.02 0.00 0.00 175.26 174.49 2jm3 n ASP 23 N 7.09 0.06 -2.16 -1.70 5.75 -1.26 -4.65 116.55 119.68 2jm3 n ASP 23 Ca -0.04 -1.94 -0.13 0.00 -0.01 0.00 0.00 54.79 52.67 2jm3 n ASP 23 Cb 0.45 -0.44 -0.14 0.00 -1.03 0.00 0.00 41.12 39.96 2jm3 n ASP 23 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 2jm3 n ASN 24 N 4.72 5.00 -1.03 -1.12 2.85 -1.26 -4.77 115.26 119.65 2jm3 n ASN 24 Ca 0.01 -2.39 -0.00 0.00 -0.11 0.00 0.00 54.58 52.08 2jm3 n ASN 24 Cb 0.00 -1.29 -0.00 0.00 1.24 0.00 0.00 39.78 39.73 2jm3 n ASN 24 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2jm3 n ARG 25 N 2.65 0.01 -4.09 1.20 1.74 -1.26 -5.17 116.66 111.75 2jm3 n ARG 25 Ca 0.42 -0.03 -0.30 0.00 -0.77 0.00 0.00 57.85 57.16 2jm3 n ARG 25 Cb 0.77 0.04 -0.07 0.00 -1.02 0.00 0.00 32.46 32.18 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 -6.29 3.12 -0.15 -1.55 2.46 -1.26 -5.01 115.29 106.61 2jm3 s HIS 26 Ca 0.00 0.04 -0.02 0.00 0.47 0.00 0.00 55.06 55.56 2jm3 s HIS 26 Cb -0.00 -1.60 0.04 0.00 -0.13 0.00 0.00 32.58 30.90 2jm3 s HIS 26 CO 0.00 0.51 -0.01 -0.06 -2.47 0.00 0.00 174.74 172.71 2jm3 s PHE 27 N -1.34 1.15 0.49 3.88 0.40 -1.26 -0.91 117.98 120.39 2jm3 s PHE 27 Ca 0.28 -0.72 -0.18 0.00 -0.60 0.00 0.00 56.93 55.70 2jm3 s PHE 27 Cb -0.12 -1.06 -0.09 0.00 0.51 0.00 0.00 43.02 42.27 2jm3 s PHE 27 CO 0.20 -0.53 0.98 0.71 0.70 0.00 0.00 175.22 177.29 2jm3 s TYR 28 N 1.82 3.37 -1.94 0.36 2.02 0.19 -4.74 117.35 118.43 2jm3 s TYR 28 Ca 0.02 1.52 0.17 0.00 -0.37 0.00 0.00 57.07 58.40 2jm3 s TYR 28 Cb -0.15 -2.83 0.49 0.00 -0.40 0.00 0.00 41.96 39.07 2jm3 s TYR 28 CO -0.07 -0.35 1.40 -2.13 -1.57 0.00 0.00 175.55 172.83 2jm3 n ARG 29 N -1.31 2.33 -1.21 -0.62 3.00 -1.26 -2.19 116.66 115.40 2jm3 n ARG 29 Ca 0.07 -1.98 0.00 0.00 -0.00 0.00 0.00 57.85 55.94 2jm3 n ARG 29 Cb 0.54 -1.45 0.00 0.00 0.00 0.00 0.00 32.46 31.55 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 1.07 -6.19 -1.85 5.15 5.41 -1.26 -4.90 119.36 116.80 2jm3 n ILE 30 Ca 0.18 1.21 -0.42 0.00 1.00 0.00 0.00 62.75 64.72 2jm3 n ILE 30 Cb 0.48 -3.58 -0.03 0.00 -0.71 0.00 0.00 39.64 35.81 2jm3 n ILE 30 CO 0.00 0.00 0.00 -2.84 0.00 0.00 0.00 176.55 173.71 2jm3 s PRO 31 N -1.93 3.86 -0.45 0.38 0.02 -1.26 -4.87 135.00 130.75 2jm3 s PRO 31 Ca 0.00 2.16 0.04 0.00 0.02 0.00 0.00 61.00 63.22 2jm3 s PRO 31 Cb 0.00 -4.13 0.58 0.00 0.02 0.00 0.00 34.50 30.97 2jm3 s PRO 31 CO 0.00 -1.25 1.81 1.63 -0.33 0.00 0.00 177.00 178.85 2jm3 n LYS 32 N 7.73 2.29 -3.34 5.54 5.02 -1.26 -3.95 118.16 130.19 2jm3 n LYS 32 Ca 0.21 -3.16 0.02 0.00 -2.02 0.00 0.00 58.31 53.37 2jm3 n LYS 32 Cb 0.43 -2.12 -0.03 0.00 -0.02 0.00 0.00 35.03 33.29 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 -3.40 0.40 0.82 1.97 3.52 -1.26 -4.47 118.95 116.52 2jm3 s ARG 33 Ca 0.55 0.87 -0.12 0.00 -0.13 0.00 0.00 55.73 56.90 2jm3 s ARG 33 Cb 0.47 0.51 0.08 0.00 -1.56 0.00 0.00 34.95 34.45 2jm3 s ARG 33 CO 0.06 -0.27 1.16 -2.14 -0.81 0.00 0.00 175.30 173.30 2jm3 s PRO 34 N 2.75 1.91 0.21 5.12 0.02 -1.26 -4.92 135.00 138.82 2jm3 s PRO 34 Ca 0.03 0.22 -0.10 0.00 0.02 0.00 0.00 61.00 61.16 2jm3 s PRO 34 Cb -0.10 -1.93 0.15 0.00 0.02 0.00 0.00 34.50 32.63 2jm3 s PRO 34 CO -0.17 -1.65 1.85 1.25 -0.33 0.00 0.00 177.00 177.95 2jm3 h LEU 35 N -1.10 0.88 -1.05 -5.54 6.46 -1.92 -2.19 115.31 110.85 2jm3 h LEU 35 Ca -0.47 -0.05 -0.07 0.00 -0.12 0.00 0.00 57.88 57.17 2jm3 h LEU 35 Cb 1.32 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 41.01 2jm3 h LEU 35 CO 0.65 0.67 -0.06 0.40 -0.62 0.00 0.00 178.44 179.48 2jm3 h ILE 36 N 1.01 1.23 -0.48 4.05 1.08 -1.97 0.13 117.51 122.56 2jm3 h ILE 36 Ca 0.27 -0.97 -0.05 0.00 -0.39 0.00 0.00 64.86 63.71 2jm3 h ILE 36 Cb -0.06 1.01 -0.02 0.00 -3.07 0.00 0.00 36.82 34.68 2jm3 h ILE 36 CO -0.05 0.33 0.09 0.25 -0.69 0.00 0.00 178.15 178.08 2jm3 h LEU 37 N 0.57 0.76 -1.23 1.44 5.85 -1.84 0.28 115.31 121.14 2jm3 h LEU 37 Ca 0.11 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.54 2jm3 h LEU 37 Cb 0.45 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 2jm3 h LEU 37 CO 0.02 0.82 0.10 -0.09 -0.34 0.00 0.00 178.44 178.95 2jm3 h ARG 38 N 0.67 0.64 -0.53 1.25 2.43 -0.77 0.91 114.38 118.98 2jm3 h ARG 38 Ca 0.15 -0.11 -0.10 0.00 -0.81 0.00 0.00 59.98 59.11 2jm3 h ARG 38 Cb 0.37 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 2jm3 h ARG 38 CO 0.01 0.58 -0.06 0.37 -1.51 0.00 0.00 179.97 179.36 2jm3 h GLN 39 N 0.62 0.95 0.00 0.20 4.15 -0.26 -2.38 115.11 118.39 2jm3 h GLN 39 Ca 0.14 -0.31 -0.09 0.00 0.77 0.00 0.00 58.65 59.16 2jm3 h GLN 39 Cb 0.24 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 2jm3 h GLN 39 CO -0.00 0.97 -0.42 0.00 -1.93 0.00 0.00 178.83 177.45 2jm3 h ARG 40 N 0.86 0.00 -0.67 1.69 2.47 -0.18 -2.74 114.38 115.82 2jm3 h ARG 40 Ca 0.15 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.81 2jm3 h ARG 40 Cb 0.59 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.88 2jm3 h ARG 40 CO 0.04 0.42 0.19 -1.49 0.56 0.00 0.00 179.97 179.69 2jm3 h TRP 41 N 0.00 1.07 0.00 3.04 4.06 -0.37 -1.72 115.95 122.03 2jm3 h TRP 41 Ca -0.00 -0.11 -0.01 0.00 2.06 0.00 0.00 58.89 60.83 2jm3 h TRP 41 Cb 0.88 -0.31 -0.00 0.00 -1.00 0.00 0.00 29.16 28.73 2jm3 h TRP 41 CO 0.00 0.86 -0.04 -0.07 -3.56 0.00 0.00 178.44 175.63 2jm3 h LEU 42 N 0.99 0.00 -2.17 -4.49 3.38 -1.13 -1.94 115.31 109.94 2jm3 h LEU 42 Ca 0.22 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 2jm3 h LEU 42 Cb 0.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 2jm3 h LEU 42 CO -0.00 0.04 -0.05 0.74 0.09 0.00 0.00 178.44 179.26 2jm3 h THR 43 N 0.00 0.69 0.00 0.22 2.02 -1.27 0.20 112.91 114.77 2jm3 h THR 43 Ca -0.00 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 66.99 2jm3 h THR 43 Cb 0.09 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 2jm3 h THR 43 CO 0.01 0.05 -0.76 0.00 0.37 0.00 0.00 175.52 175.18 2jm3 h ALA 44 N 1.95 0.60 0.00 6.16 0.00 -1.43 -3.36 119.26 123.18 2jm3 h ALA 44 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jm3 h ALA 44 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2jm3 h ALA 44 CO 0.01 0.00 -0.54 0.44 0.00 0.00 0.00 179.25 179.16 2jm3 n ILE 45 N -2.64 0.00 -2.11 0.00 -5.35 -0.88 -4.76 119.36 103.62 2jm3 n ILE 45 Ca 0.01 -0.30 -0.14 0.00 -0.27 0.00 0.00 62.75 62.05 2jm3 n ILE 45 Cb 0.53 0.83 -0.01 0.00 -1.74 0.00 0.00 39.64 39.24 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 1.40 0.08 3.85 3.28 0.00 0.65 -4.49 105.19 109.95 2jm3 n GLY 46 Ca 0.01 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.48 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 -4.42 2.48 0.55 1.61 6.06 -1.15 -5.06 118.95 119.01 2jm3 s ARG 47 Ca 0.00 -1.58 0.06 0.00 -2.50 0.00 0.00 55.73 51.71 2jm3 s ARG 47 Cb 0.00 -2.31 0.06 0.00 0.06 0.00 0.00 34.95 32.76 2jm3 s ARG 47 CO 0.00 -0.16 0.50 2.41 -2.50 0.00 0.00 175.30 175.55 2jm3 n THR 48 N -1.48 0.00 0.12 4.11 -1.04 -1.26 -4.78 114.28 109.96 2jm3 n THR 48 Ca 0.02 -2.08 0.02 0.00 -2.04 0.00 0.00 64.05 59.97 2jm3 n THR 48 Cb 0.62 -0.16 0.01 0.00 -1.82 0.00 0.00 70.33 68.98 2jm3 n THR 48 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 2jm3 h GLU 49 N 0.00 0.00 0.00 -2.82 4.11 -1.98 0.11 114.58 114.00 2jm3 h GLU 49 Ca -0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.11 2jm3 h GLU 49 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2jm3 h GLU 49 CO 0.50 0.48 0.00 0.93 0.07 0.00 0.00 179.01 180.99 2jm3 h GLU 50 N 0.00 0.00 0.01 1.06 3.07 -1.96 -3.25 114.58 113.50 2jm3 h GLU 50 Ca -0.02 0.00 -0.37 0.00 -0.50 0.00 0.00 59.36 58.46 2jm3 h GLU 50 Cb 1.42 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 29.26 2jm3 h GLU 50 CO 0.06 0.00 -2.35 0.25 -1.40 0.00 0.00 179.01 175.57 2jm3 n THR 51 N -2.73 1.45 0.16 1.13 -2.24 -1.07 -4.42 114.28 106.56 2jm3 n THR 51 Ca 0.04 -0.75 0.02 0.00 -2.27 0.00 0.00 64.05 61.09 2jm3 n THR 51 Cb 0.47 -0.87 0.27 0.00 -2.10 0.00 0.00 70.33 68.11 2jm3 n THR 51 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 2jm3 h VAL 52 N 0.00 1.26 -2.45 2.28 3.04 -0.86 -3.27 116.25 116.25 2jm3 h VAL 52 Ca -0.54 -1.71 -0.81 0.00 -1.01 0.00 0.00 66.70 62.63 2jm3 h VAL 52 Cb 2.11 1.95 -0.27 0.00 -2.01 0.00 0.00 31.29 33.07 2jm3 h VAL 52 CO -0.00 0.48 0.99 0.52 -1.01 0.00 0.00 177.57 178.55 2jm3 n VAL 53 N -3.83 5.81 0.00 1.51 0.31 -1.23 -4.23 118.33 116.68 2jm3 n VAL 53 Ca -0.01 -5.92 0.00 0.00 -0.01 0.00 0.00 64.34 58.40 2jm3 n VAL 53 Cb 0.52 -1.76 0.00 0.00 -0.91 0.00 0.00 33.84 31.70 2jm3 n VAL 53 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2jm3 n SER 54 N 0.51 0.00 -0.16 4.52 3.41 -1.23 -4.95 113.62 115.73 2jm3 n SER 54 Ca 0.40 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 59.02 2jm3 n SER 54 Cb 0.29 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.27 2jm3 n SER 54 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jm3 n GLN 55 N 0.00 1.54 -1.76 4.33 0.00 -1.26 -5.04 117.38 115.19 2jm3 n GLN 55 Ca 0.00 -1.27 -0.42 0.00 0.00 0.00 0.00 57.00 55.31 2jm3 n GLN 55 Cb 0.00 -1.07 -0.03 0.00 0.00 0.00 0.00 30.24 29.14 2jm3 n GLN 55 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 2jm3 s LEU 56 N -0.70 4.39 -0.02 2.61 2.96 -1.26 -4.82 118.68 121.83 2jm3 s LEU 56 Ca 0.05 2.72 0.02 0.00 -0.22 0.00 0.00 54.13 56.70 2jm3 s LEU 56 Cb 0.03 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 43.15 2jm3 s LEU 56 CO 0.04 -0.98 -0.07 -0.13 -1.32 0.00 0.00 176.35 173.89 2jm3 s ARG 57 N 2.54 0.75 -0.24 1.98 3.00 -1.24 -4.86 118.95 120.88 2jm3 s ARG 57 Ca 0.79 -0.24 -0.06 0.00 0.00 0.00 0.00 55.73 56.22 2jm3 s ARG 57 Cb -0.45 -0.72 -0.02 0.00 0.00 0.00 0.00 34.95 33.76 2jm3 s ARG 57 CO 0.35 0.10 0.01 0.42 0.00 0.00 0.00 175.30 176.18 2jm3 s ILE 58 N 0.16 3.84 0.52 1.52 -1.09 -0.93 -1.79 121.20 123.42 2jm3 s ILE 58 Ca -0.02 -0.34 -0.21 0.00 -2.23 0.00 0.00 60.65 57.85 2jm3 s ILE 58 Cb -0.07 -2.78 -0.08 0.00 -1.58 0.00 0.00 42.46 37.96 2jm3 s ILE 58 CO 0.00 0.38 0.97 0.00 -1.23 0.00 0.00 174.94 175.06 2jm3 h SER 60 N 0.96 0.00 0.48 0.00 4.64 -1.41 -2.96 113.55 115.26 2jm3 h SER 60 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 2jm3 h SER 60 Cb 1.35 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.44 2jm3 h SER 60 CO 0.53 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.49 2jm3 n ALA 61 N -1.98 2.17 0.02 5.18 0.00 -1.26 -3.16 120.51 121.48 2jm3 n ALA 61 Ca 0.01 -0.11 -0.06 0.00 0.00 0.00 0.00 53.44 53.28 2jm3 n ALA 61 Cb 0.25 -1.37 0.12 0.00 0.00 0.00 0.00 19.45 18.44 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 -1.31 1.27 -4.10 0.00 -0.00 -1.12 -4.75 115.22 105.22 2jm3 n HIS 62 Ca 0.10 -0.87 -0.12 0.00 -0.00 0.00 0.00 57.72 56.83 2jm3 n HIS 62 Cb 0.19 -0.48 -0.11 0.00 -0.00 0.00 0.00 29.99 29.59 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 -1.62 0.73 -0.47 4.41 0.40 -1.19 0.21 117.98 120.45 2jm3 s PHE 63 Ca 0.26 -0.66 -0.27 0.00 -0.60 0.00 0.00 56.93 55.66 2jm3 s PHE 63 Cb 0.21 -0.43 -0.04 0.00 0.51 0.00 0.00 43.02 43.27 2jm3 s PHE 63 CO 0.06 -0.12 2.05 -1.21 0.70 0.00 0.00 175.22 176.69 2jm3 s GLU 64 N -2.42 2.68 0.00 0.44 0.41 -1.26 -1.22 118.70 117.33 2jm3 s GLU 64 Ca -0.02 1.18 0.00 0.00 -0.41 0.00 0.00 54.97 55.72 2jm3 s GLU 64 Cb -0.04 -4.40 0.00 0.00 -1.78 0.00 0.00 34.13 27.91 2jm3 s GLU 64 CO -0.02 -2.63 0.00 0.41 -0.49 0.00 0.00 175.26 172.53 2jm3 n GLY 65 N 5.73 1.32 2.22 -1.39 0.00 -1.26 -4.43 105.19 107.37 2jm3 n GLY 65 Ca 0.27 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.27 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 -2.00 -0.54 3.36 -0.02 0.00 -0.36 -5.06 105.19 100.57 2jm3 n GLY 66 Ca 0.00 0.10 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 2jm3 n GLY 66 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jm3 s GLU 67 N -3.16 0.39 -0.49 1.61 2.56 -1.26 -4.92 118.70 113.44 2jm3 s GLU 67 Ca 0.05 1.12 -0.15 0.00 0.00 0.00 0.00 54.97 55.99 2jm3 s GLU 67 Cb -0.01 0.42 0.10 0.00 2.00 0.00 0.00 34.13 36.64 2jm3 s GLU 67 CO 0.33 -0.23 0.42 0.21 -0.56 0.00 0.00 175.26 175.44 2jm3 s LYS 68 N 2.56 2.93 0.00 4.30 2.20 -1.26 -4.83 119.74 125.63 2jm3 s LYS 68 Ca -0.03 -1.52 0.00 0.00 -0.36 0.00 0.00 55.97 54.05 2jm3 s LYS 68 Cb -0.12 -4.16 0.00 0.00 -1.51 0.00 0.00 37.83 32.05 2jm3 s LYS 68 CO -0.14 -1.15 0.00 1.63 -0.36 0.00 0.00 175.35 175.33 2jm3 n LYS 69 N 5.18 2.97 -3.13 4.03 4.01 -1.26 -5.00 118.16 124.96 2jm3 n LYS 69 Ca -0.13 0.00 -0.44 0.00 -0.51 0.00 0.00 58.31 57.23 2jm3 n LYS 69 Cb 0.42 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.94 2jm3 n LYS 69 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 2jm3 n GLU 70 N 0.00 3.68 0.00 1.97 -0.58 -1.26 -4.05 120.64 120.40 2jm3 n GLU 70 Ca 0.00 -4.29 0.00 0.00 -0.42 0.00 0.00 57.16 52.45 2jm3 n GLU 70 Cb 0.00 -2.67 0.00 0.00 -0.57 0.00 0.00 31.44 28.20 2jm3 n GLU 70 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2jm3 n GLY 71 N 2.74 0.15 3.73 0.62 0.00 -1.26 -4.86 105.19 106.31 2jm3 n GLY 71 Ca 0.28 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.90 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 7.06 -0.05 1.61 1.11 -1.26 -0.31 116.67 124.83 2jm3 s ASP 72 Ca 0.00 1.27 -0.02 0.00 0.18 0.00 0.00 52.55 53.98 2jm3 s ASP 72 Cb 0.00 -2.43 -0.04 0.00 1.07 0.00 0.00 42.92 41.52 2jm3 s ASP 72 CO 0.00 -0.07 0.06 -0.63 1.18 0.00 0.00 175.17 175.70 2jm3 s ILE 73 N 0.52 4.68 0.58 0.77 1.01 -0.24 -4.82 121.20 123.70 2jm3 s ILE 73 Ca 0.38 -0.25 -0.18 0.00 0.00 0.00 0.00 60.65 60.60 2jm3 s ILE 73 Cb -0.19 -3.06 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 2jm3 s ILE 73 CO 0.20 0.49 1.13 -2.16 0.00 0.00 0.00 174.94 174.60 2jm3 s PRO 74 N -1.29 3.16 0.18 2.79 0.04 -1.26 -4.20 135.00 134.42 2jm3 s PRO 74 Ca 0.18 1.56 0.08 0.00 0.04 0.00 0.00 61.00 62.86 2jm3 s PRO 74 Cb -0.12 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 2jm3 s PRO 74 CO 0.08 -0.99 -0.17 0.14 0.04 0.00 0.00 177.00 176.09 2jm3 s VAL 75 N -1.94 1.80 0.02 -0.36 -7.23 0.13 -4.66 120.40 108.16 2jm3 s VAL 75 Ca 0.71 -2.03 -0.17 0.00 -1.81 0.00 0.00 61.98 58.69 2jm3 s VAL 75 Cb -0.23 -1.91 -0.09 0.00 0.56 0.00 0.00 36.38 34.70 2jm3 s VAL 75 CO 0.32 -0.42 1.16 1.55 -0.31 0.00 0.00 175.10 177.40 2jm3 h PRO 76 N 2.99 -0.58 -4.31 4.82 0.13 -1.88 -3.42 132.00 129.76 2jm3 h PRO 76 Ca -0.41 0.04 -0.61 0.00 -0.87 0.00 0.00 66.00 64.15 2jm3 h PRO 76 Cb 1.21 0.13 -0.38 0.00 0.13 0.00 0.00 31.00 32.09 2jm3 h PRO 76 CO 0.55 -0.38 -0.78 0.34 -0.23 0.00 0.00 178.00 177.50 2jm3 s ASP 77 N -3.07 3.89 0.02 1.44 -1.08 -1.26 -4.90 116.67 111.72 2jm3 s ASP 77 Ca -0.09 -1.25 0.06 0.00 -0.52 0.00 0.00 52.55 50.75 2jm3 s ASP 77 Cb 0.01 -1.17 0.25 0.00 -1.46 0.00 0.00 42.92 40.55 2jm3 s ASP 77 CO 0.26 -0.26 1.17 -2.65 0.52 0.00 0.00 175.17 174.22 2jm3 n PRO 78 N 4.67 0.01 -0.11 4.34 -0.02 -1.26 0.44 135.00 143.06 2jm3 n PRO 78 Ca -0.10 0.44 0.07 0.00 -2.02 0.00 0.00 63.50 61.88 2jm3 n PRO 78 Cb 0.44 -1.53 0.12 0.00 -0.02 0.00 0.00 33.50 32.51 2jm3 n PRO 78 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2jm3 n THR 79 N -1.55 0.52 0.00 3.45 -2.24 -1.26 -4.65 114.28 108.55 2jm3 n THR 79 Ca 0.01 -0.76 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 2jm3 n THR 79 Cb 0.05 0.88 0.00 0.00 -2.10 0.00 0.00 70.33 69.16 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 0.72 0.00 -2.90 2.28 0.31 0.22 -5.10 118.33 113.87 2jm3 n VAL 80 Ca 0.11 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.25 2jm3 n VAL 80 Cb 0.40 -0.96 0.03 0.00 -0.91 0.00 0.00 33.84 32.40 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 -4.67 5.38 -0.47 4.52 -1.08 0.17 -5.03 116.67 115.49 2jm3 s ASP 81 Ca 0.00 -0.40 -0.19 0.00 -0.52 0.00 0.00 52.55 51.43 2jm3 s ASP 81 Cb 0.00 -0.49 0.04 0.00 -1.46 0.00 0.00 42.92 41.01 2jm3 s ASP 81 CO 0.00 -1.03 0.61 -0.54 0.52 0.00 0.00 175.17 174.73 2jm3 s LYS 82 N -4.56 3.17 -0.37 4.34 3.01 -1.26 -4.62 119.74 119.45 2jm3 s LYS 82 Ca 0.58 -0.71 -0.33 0.00 -1.01 0.00 0.00 55.97 54.49 2jm3 s LYS 82 Cb -0.09 -4.03 -0.14 0.00 -1.01 0.00 0.00 37.83 32.55 2jm3 s LYS 82 CO 0.36 -1.11 1.46 0.94 0.51 0.00 0.00 175.35 177.51 2jm3 n GLN 83 N 6.14 0.00 -2.85 1.68 -0.06 -1.26 -4.88 117.38 116.14 2jm3 n GLN 83 Ca -0.05 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.53 2jm3 n GLN 83 Cb 0.46 -1.12 -0.04 0.00 -4.06 0.00 0.00 30.24 25.49 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 3.73 4.81 0.03 1.69 1.01 -1.26 -5.04 121.20 126.18 2jm3 s ILE 84 Ca 0.86 1.64 -0.00 0.00 0.00 0.00 0.00 60.65 63.15 2jm3 s ILE 84 Cb -1.12 -4.15 -0.02 0.00 0.01 0.00 0.00 42.46 37.18 2jm3 s ILE 84 CO 0.53 -0.09 -0.03 -1.59 0.00 0.00 0.00 174.94 173.76 2jm3 s LYS 85 N 2.88 0.36 -0.14 2.79 0.00 -1.26 -1.08 119.74 123.29 2jm3 s LYS 85 Ca 0.36 -0.72 -0.13 0.00 0.00 0.00 0.00 55.97 55.49 2jm3 s LYS 85 Cb -0.15 0.12 -0.05 0.00 0.00 0.00 0.00 37.83 37.75 2jm3 s LYS 85 CO 0.07 -0.06 0.27 0.42 0.00 0.00 0.00 175.35 176.06 2jm3 s ILE 86 N -1.87 5.31 -0.65 3.79 1.01 0.58 -4.95 121.20 124.41 2jm3 s ILE 86 Ca -0.12 0.51 -0.27 0.00 0.00 0.00 0.00 60.65 60.77 2jm3 s ILE 86 Cb -0.07 -3.60 0.01 0.00 0.01 0.00 0.00 42.46 38.81 2jm3 s ILE 86 CO -0.02 0.45 1.56 -1.61 0.00 0.00 0.00 174.94 175.31 2jm3 s GLU 87 N 0.05 2.96 -0.36 2.79 0.41 -1.26 -4.77 118.70 118.53 2jm3 s GLU 87 Ca 0.16 0.25 -0.29 0.00 -0.41 0.00 0.00 54.97 54.68 2jm3 s GLU 87 Cb -0.13 -4.26 0.01 0.00 -1.78 0.00 0.00 34.13 27.96 2jm3 s GLU 87 CO 0.05 -2.37 1.33 -1.17 -0.49 0.00 0.00 175.26 172.61 2jm3 s LEU 88 N 7.24 3.75 0.05 1.80 2.96 -1.26 -4.98 118.68 128.23 2jm3 s LEU 88 Ca 0.52 1.01 -0.31 0.00 -0.22 0.00 0.00 54.13 55.13 2jm3 s LEU 88 Cb -0.11 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 42.98 2jm3 s LEU 88 CO 0.19 -1.23 1.46 -2.84 -1.32 0.00 0.00 176.35 172.61 2jm3 s PRO 89 N 4.48 4.27 -0.38 0.98 0.02 -1.26 -4.90 135.00 138.20 2jm3 s PRO 89 Ca 0.57 2.08 -0.33 0.00 0.02 0.00 0.00 61.00 63.35 2jm3 s PRO 89 Cb -0.15 -3.49 -0.11 0.00 0.02 0.00 0.00 34.50 30.78 2jm3 s PRO 89 CO 0.27 -0.58 2.25 -2.30 -0.33 0.00 0.00 177.00 176.31 2jm3 n PRO 90 N 5.04 1.13 0.00 5.54 -0.02 -1.26 -5.30 135.00 140.13 2jm3 n PRO 90 Ca 0.13 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 2jm3 n PRO 90 Cb 0.42 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 2jm3 n PRO 90 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11