#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 0.18 -3.68 1.61 3.41 -1.26 -5.09 113.62 108.80 2jm3 n SER 2 Ca 0.00 0.05 -0.09 0.00 -0.26 0.00 0.00 58.87 58.57 2jm3 n SER 2 Cb 0.00 -0.04 -0.10 0.00 -0.26 0.00 0.00 64.21 63.82 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 -2.00 0.40 0.00 4.33 -2.45 -1.26 -5.14 119.30 113.18 2jm3 s MET 3 Ca 0.00 0.93 0.00 0.00 -1.25 0.00 0.00 55.69 55.37 2jm3 s MET 3 Cb 0.00 0.13 0.00 0.00 1.25 0.00 0.00 34.83 36.21 2jm3 s MET 3 CO 0.00 -0.19 0.00 -0.35 1.05 0.00 0.00 175.02 175.53 2jm3 n PRO 4 N 4.67 0.00 -2.12 4.11 -0.04 -1.26 -4.89 135.00 135.47 2jm3 n PRO 4 Ca -0.18 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.25 2jm3 n PRO 4 Cb 0.53 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.97 2jm3 n PRO 4 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2jm3 n THR 5 N 0.00 -9.06 -2.16 0.52 -1.04 -1.26 -4.96 114.28 96.32 2jm3 n THR 5 Ca 0.00 1.74 -0.41 0.00 -2.04 0.00 0.00 64.05 63.34 2jm3 n THR 5 Cb 0.00 -5.31 -0.03 0.00 -1.82 0.00 0.00 70.33 63.18 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 -0.40 2.96 0.62 12.58 2.01 -1.26 -5.01 115.64 127.15 2jm3 s THR 6 Ca -0.16 0.85 -0.17 0.00 0.31 0.00 0.00 61.69 62.53 2jm3 s THR 6 Cb 0.01 -3.54 -0.02 0.00 0.01 0.00 0.00 72.50 68.96 2jm3 s THR 6 CO 0.43 0.16 1.14 0.00 -0.69 0.00 0.00 174.62 175.65 2jm3 n GLY 8 N -0.07 0.29 3.81 0.00 0.00 0.01 -4.77 105.19 104.45 2jm3 n GLY 8 Ca 0.11 -0.62 -0.34 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.29 3.33 -1.05 1.61 5.36 -1.26 -4.94 117.98 118.73 2jm3 s PHE 9 Ca 0.24 1.64 -0.24 0.00 -0.96 0.00 0.00 56.93 57.61 2jm3 s PHE 9 Cb 0.19 -2.92 -0.09 0.00 -0.34 0.00 0.00 43.02 39.85 2jm3 s PHE 9 CO 0.46 -0.21 1.99 -1.25 -1.46 0.00 0.00 175.22 174.75 2jm3 s PRO 10 N -2.91 2.32 -0.00 10.12 0.04 -1.26 -4.20 135.00 139.11 2jm3 s PRO 10 Ca 0.60 -0.68 -0.00 0.00 0.04 0.00 0.00 61.00 60.96 2jm3 s PRO 10 Cb -0.13 -5.12 0.00 0.00 0.04 0.00 0.00 34.50 29.28 2jm3 s PRO 10 CO 0.17 -3.96 0.00 -1.71 0.04 0.00 0.00 177.00 171.54 2jm3 n ASN 11 N 15.07 -2.02 -4.57 6.66 5.15 -1.26 -4.92 115.26 129.37 2jm3 n ASN 11 Ca 0.43 0.01 -0.39 0.00 -0.60 0.00 0.00 54.58 54.03 2jm3 n ASN 11 Cb 0.46 -1.04 -0.03 0.00 -0.53 0.00 0.00 39.78 38.65 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 8.71 0.11 -0.03 0.00 2.85 -1.26 -3.08 118.16 125.45 2jm3 n LYS 13 Ca 0.39 0.19 -0.15 0.00 -1.05 0.00 0.00 58.31 57.69 2jm3 n LYS 13 Cb 0.49 -1.50 -0.09 0.00 -0.65 0.00 0.00 35.03 33.28 2jm3 n LYS 13 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 177.40 178.09 2jm3 h PHE 14 N 0.00 0.49 0.00 5.58 0.04 -1.90 -2.84 116.94 118.30 2jm3 h PHE 14 Ca 0.00 -0.21 -0.04 0.00 2.80 0.00 0.00 57.97 60.52 2jm3 h PHE 14 Cb 0.21 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.28 2jm3 h PHE 14 CO 0.00 0.95 -0.19 0.07 -0.60 0.00 0.00 178.31 178.54 2jm3 h ARG 15 N -0.11 0.00 -0.00 1.51 0.11 -1.88 -2.29 114.38 111.71 2jm3 h ARG 15 Ca -0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.06 2jm3 h ARG 15 Cb 0.99 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.07 2jm3 h ARG 15 CO 0.07 0.19 -0.08 0.43 0.10 0.00 0.00 179.97 180.68 2jm3 n SER 16 N -3.33 0.36 -0.20 0.08 7.64 -1.19 -3.02 113.62 113.96 2jm3 n SER 16 Ca 0.00 -0.53 0.13 0.00 1.01 0.00 0.00 58.87 59.48 2jm3 n SER 16 Cb 0.42 -0.11 0.34 0.00 -1.01 0.00 0.00 64.21 63.85 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 -1.01 0.67 -0.51 1.43 1.85 -0.86 -4.88 116.66 113.36 2jm3 n ARG 17 Ca 0.15 -0.40 0.00 0.00 -1.00 0.00 0.00 57.85 56.60 2jm3 n ARG 17 Cb 0.26 -1.49 0.00 0.00 -1.05 0.00 0.00 32.46 30.18 2jm3 n ARG 17 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 2jm3 n TYR 18 N -0.81 -1.13 -3.32 2.89 4.01 -1.17 -5.06 117.16 112.56 2jm3 n TYR 18 Ca 0.11 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.53 2jm3 n TYR 18 Cb 0.35 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.32 2jm3 n TYR 18 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2jm3 n ARG 19 N -0.38 3.05 0.00 -0.72 5.12 -1.26 -4.85 116.66 117.62 2jm3 n ARG 19 Ca 0.00 -4.64 0.00 0.00 -1.93 0.00 0.00 57.85 51.28 2jm3 n ARG 19 Cb 0.00 -2.33 0.00 0.00 -1.16 0.00 0.00 32.46 28.97 2jm3 n ARG 19 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2jm3 n GLY 20 N 1.03 1.53 3.56 -0.13 0.00 -1.26 -4.86 105.19 105.06 2jm3 n GLY 20 Ca 0.28 -0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.97 2jm3 n GLY 20 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jm3 s LEU 21 N 0.00 3.15 -0.05 0.99 1.43 -1.26 -4.84 118.68 118.10 2jm3 s LEU 21 Ca 0.00 -0.77 -0.22 0.00 -1.03 0.00 0.00 54.13 52.10 2jm3 s LEU 21 Cb 0.00 -2.56 -0.27 0.00 0.03 0.00 0.00 46.19 43.39 2jm3 s LEU 21 CO 0.00 -2.80 1.46 -1.84 0.23 0.00 0.00 176.35 173.41 2jm3 n GLU 22 N 8.79 0.10 0.00 1.70 0.28 -1.26 -4.59 120.64 125.66 2jm3 n GLU 22 Ca 0.41 -0.92 0.00 0.00 -0.16 0.00 0.00 57.16 56.49 2jm3 n GLU 22 Cb 0.47 -2.39 0.00 0.00 1.43 0.00 0.00 31.44 30.95 2jm3 n GLU 22 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2jm3 n ASP 23 N 7.86 0.00 -2.89 -1.84 -0.08 -1.26 -4.39 116.55 113.95 2jm3 n ASP 23 Ca 0.35 0.00 -0.16 0.00 -1.51 0.00 0.00 54.79 53.48 2jm3 n ASP 23 Cb 0.31 0.00 0.07 0.00 2.34 0.00 0.00 41.12 43.84 2jm3 n ASP 23 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2jm3 n ASN 24 N 2.47 -3.58 -3.51 1.67 2.85 -1.26 -5.03 115.26 108.86 2jm3 n ASN 24 Ca 0.00 -0.45 -0.18 0.00 -0.11 0.00 0.00 54.58 53.84 2jm3 n ASN 24 Cb 0.00 -4.05 0.11 0.00 1.24 0.00 0.00 39.78 37.08 2jm3 n ASN 24 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 2jm3 n ARG 25 N -3.68 -0.38 -3.26 1.20 3.00 -1.26 -5.06 116.66 107.23 2jm3 n ARG 25 Ca -0.12 -1.63 -0.38 0.00 -0.00 0.00 0.00 57.85 55.72 2jm3 n ARG 25 Cb 0.59 -0.69 -0.06 0.00 0.00 0.00 0.00 32.46 32.31 2jm3 n ARG 25 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.63 176.05 2jm3 s HIS 26 N -2.50 3.52 -0.49 -0.14 2.46 -1.26 -4.94 115.29 111.94 2jm3 s HIS 26 Ca 0.48 0.95 -0.19 0.00 0.47 0.00 0.00 55.06 56.78 2jm3 s HIS 26 Cb -0.02 -2.61 0.05 0.00 -0.13 0.00 0.00 32.58 29.88 2jm3 s HIS 26 CO 0.33 0.13 0.59 -0.06 -2.47 0.00 0.00 174.74 173.26 2jm3 s PHE 27 N 0.73 3.08 0.28 3.88 0.08 -1.26 -1.57 117.98 123.19 2jm3 s PHE 27 Ca 0.28 -0.53 -0.24 0.00 0.12 0.00 0.00 56.93 56.56 2jm3 s PHE 27 Cb -0.16 -3.43 -0.09 0.00 -0.57 0.00 0.00 43.02 38.77 2jm3 s PHE 27 CO 0.12 -0.97 0.87 0.71 -0.10 0.00 0.00 175.22 175.85 2jm3 s TYR 28 N 2.50 3.71 0.68 0.36 2.02 0.11 -4.82 117.35 121.91 2jm3 s TYR 28 Ca 0.14 1.67 -0.11 0.00 -0.37 0.00 0.00 57.07 58.40 2jm3 s TYR 28 Cb -0.19 -2.83 0.01 0.00 -0.40 0.00 0.00 41.96 38.54 2jm3 s TYR 28 CO 0.12 0.28 1.07 0.50 -1.57 0.00 0.00 175.55 175.95 2jm3 s ARG 29 N -1.92 2.98 -0.43 -0.62 6.06 -1.26 -1.84 118.95 121.92 2jm3 s ARG 29 Ca 0.47 0.46 -0.25 0.00 -2.50 0.00 0.00 55.73 53.90 2jm3 s ARG 29 Cb -0.19 -2.05 0.02 0.00 0.06 0.00 0.00 34.95 32.79 2jm3 s ARG 29 CO 0.24 -0.93 0.92 0.42 -2.50 0.00 0.00 175.30 173.44 2jm3 s ILE 30 N -3.30 4.52 0.34 4.11 1.01 -1.26 -4.90 121.20 121.73 2jm3 s ILE 30 Ca 0.57 0.89 -0.29 0.00 0.00 0.00 0.00 60.65 61.82 2jm3 s ILE 30 Cb -0.11 -4.39 -0.11 0.00 0.01 0.00 0.00 42.46 37.87 2jm3 s ILE 30 CO 0.51 -0.72 1.38 -2.84 0.00 0.00 0.00 174.94 173.27 2jm3 s PRO 31 N 3.63 4.26 -0.04 2.79 0.02 -1.26 -4.94 135.00 139.46 2jm3 s PRO 31 Ca 0.37 2.35 0.06 0.00 0.02 0.00 0.00 61.00 63.81 2jm3 s PRO 31 Cb -0.11 -3.04 0.12 0.00 0.02 0.00 0.00 34.50 31.50 2jm3 s PRO 31 CO 0.23 -0.33 1.08 0.36 -0.33 0.00 0.00 177.00 178.01 2jm3 n LYS 32 N 0.77 2.54 -3.67 5.54 2.85 -1.26 -4.14 118.16 120.79 2jm3 n LYS 32 Ca 0.01 -1.88 -0.16 0.00 -1.05 0.00 0.00 58.31 55.23 2jm3 n LYS 32 Cb 0.41 -1.19 -0.15 0.00 -0.65 0.00 0.00 35.03 33.45 2jm3 n LYS 32 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 177.40 177.85 2jm3 s ARG 33 N -1.55 0.05 0.73 -1.58 3.00 -1.26 -3.64 118.95 114.69 2jm3 s ARG 33 Ca 0.12 0.58 -0.11 0.00 -1.00 0.00 0.00 55.73 55.33 2jm3 s ARG 33 Cb 0.10 -0.23 0.03 0.00 0.00 0.00 0.00 34.95 34.84 2jm3 s ARG 33 CO 0.03 -0.30 1.07 -2.14 0.00 0.00 0.00 175.30 173.96 2jm3 s PRO 34 N 2.27 2.66 0.44 5.12 0.02 -1.26 -4.90 135.00 139.34 2jm3 s PRO 34 Ca 0.02 0.91 0.11 0.00 0.02 0.00 0.00 61.00 62.07 2jm3 s PRO 34 Cb -0.12 -1.96 1.00 0.00 0.02 0.00 0.00 34.50 33.44 2jm3 s PRO 34 CO -0.06 -1.29 2.05 -0.07 -0.33 0.00 0.00 177.00 177.30 2jm3 h LEU 35 N -0.85 0.34 -0.67 -5.54 -0.00 -1.95 -0.25 115.31 106.39 2jm3 h LEU 35 Ca -0.44 -0.00 -0.09 0.00 -0.00 0.00 0.00 57.88 57.34 2jm3 h LEU 35 Cb 1.23 -0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 41.78 2jm3 h LEU 35 CO 0.57 0.23 0.05 0.40 -0.00 0.00 0.00 178.44 179.69 2jm3 h ILE 36 N 0.39 1.26 -0.30 1.22 1.08 -1.97 0.27 117.51 119.46 2jm3 h ILE 36 Ca 0.17 -1.10 -0.05 0.00 -0.39 0.00 0.00 64.86 63.49 2jm3 h ILE 36 Cb 0.17 0.71 -0.01 0.00 -3.07 0.00 0.00 36.82 34.62 2jm3 h ILE 36 CO -0.04 0.41 0.01 0.25 -0.69 0.00 0.00 178.15 178.09 2jm3 h LEU 37 N 1.01 0.51 -0.55 1.44 6.46 -1.62 -1.96 115.31 120.60 2jm3 h LEU 37 Ca 0.19 -0.30 0.08 0.00 -0.12 0.00 0.00 57.88 57.73 2jm3 h LEU 37 Cb 0.50 -0.14 -0.06 0.00 -0.73 0.00 0.00 40.66 40.23 2jm3 h LEU 37 CO 0.02 0.68 0.20 -0.09 -0.62 0.00 0.00 178.44 178.64 2jm3 h ARG 38 N 0.32 0.37 -0.96 1.25 2.43 -0.78 0.74 114.38 117.75 2jm3 h ARG 38 Ca 0.09 -0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.31 2jm3 h ARG 38 Cb 0.41 -0.08 -0.07 0.00 -0.42 0.00 0.00 29.97 29.81 2jm3 h ARG 38 CO 0.01 0.24 0.61 0.37 -1.51 0.00 0.00 179.97 179.70 2jm3 h GLN 39 N 0.38 1.04 0.00 0.20 5.75 -0.26 -2.02 115.11 120.19 2jm3 h GLN 39 Ca 0.27 -0.06 -0.09 0.00 -0.15 0.00 0.00 58.65 58.62 2jm3 h GLN 39 Cb 0.31 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.62 2jm3 h GLN 39 CO -0.28 0.69 -0.43 0.00 -2.65 0.00 0.00 178.83 176.16 2jm3 h ARG 40 N 1.07 0.00 -0.06 1.69 2.47 -0.47 -3.10 114.38 115.97 2jm3 h ARG 40 Ca 0.44 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 59.10 2jm3 h ARG 40 Cb 0.26 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.57 2jm3 h ARG 40 CO -0.20 0.43 -0.24 -1.49 0.56 0.00 0.00 179.97 179.03 2jm3 h TRP 41 N 0.00 0.11 -0.13 3.04 4.06 -0.15 -1.25 115.95 121.64 2jm3 h TRP 41 Ca -0.00 -0.02 -0.16 0.00 2.06 0.00 0.00 58.89 60.76 2jm3 h TRP 41 Cb 1.27 -0.03 -0.01 0.00 -1.00 0.00 0.00 29.16 29.39 2jm3 h TRP 41 CO 0.00 0.34 -0.62 -0.07 -3.56 0.00 0.00 178.44 174.53 2jm3 h LEU 42 N 0.10 0.50 -0.85 -4.49 3.38 -1.45 -3.15 115.31 109.35 2jm3 h LEU 42 Ca 0.02 -0.29 0.05 0.00 0.09 0.00 0.00 57.88 57.75 2jm3 h LEU 42 Cb 0.48 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 2jm3 h LEU 42 CO 0.03 1.00 0.53 0.74 0.09 0.00 0.00 178.44 180.83 2jm3 h THR 43 N 0.33 1.07 -0.14 0.22 2.02 -1.22 0.67 112.91 115.85 2jm3 h THR 43 Ca -0.01 -0.34 0.01 0.00 0.77 0.00 0.00 66.41 66.84 2jm3 h THR 43 Cb 1.16 -0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.56 2jm3 h THR 43 CO 0.11 0.18 0.08 0.00 0.37 0.00 0.00 175.52 176.26 2jm3 h ALA 44 N 1.39 0.17 -0.00 6.16 0.00 -1.39 -2.24 119.26 123.35 2jm3 h ALA 44 Ca 0.36 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2jm3 h ALA 44 Cb 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.87 2jm3 h ALA 44 CO -0.15 -0.36 -0.10 0.44 0.00 0.00 0.00 179.25 179.08 2jm3 n ILE 45 N -5.01 0.00 -3.07 0.00 -5.35 -1.08 -4.72 119.36 100.13 2jm3 n ILE 45 Ca -0.04 -0.06 -0.21 0.00 -0.27 0.00 0.00 62.75 62.17 2jm3 n ILE 45 Cb 0.04 -0.13 0.04 0.00 -1.74 0.00 0.00 39.64 37.85 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 1.27 -0.43 3.75 3.28 0.00 -0.04 -4.50 105.19 108.52 2jm3 n GLY 46 Ca 0.15 0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 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 -5.73 2.19 0.08 1.61 0.52 0.03 -5.01 118.95 112.63 2jm3 s ARG 47 Ca 0.33 -2.40 0.02 0.00 -0.52 0.00 0.00 55.73 53.16 2jm3 s ARG 47 Cb -0.15 -1.45 -0.01 0.00 0.52 0.00 0.00 34.95 33.87 2jm3 s ARG 47 CO 0.41 -0.39 0.07 2.41 0.02 0.00 0.00 175.30 177.82 2jm3 n THR 48 N -1.25 0.00 -0.06 0.02 -1.04 -1.26 -4.50 114.28 106.19 2jm3 n THR 48 Ca -0.19 -0.58 0.07 0.00 -2.04 0.00 0.00 64.05 61.31 2jm3 n THR 48 Cb 0.67 0.29 0.43 0.00 -1.82 0.00 0.00 70.33 69.90 2jm3 n THR 48 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2jm3 h GLU 49 N 0.00 0.54 0.00 -2.82 4.39 -2.01 0.42 114.58 115.10 2jm3 h GLU 49 Ca -0.06 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.61 2jm3 h GLU 49 Cb 0.29 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2jm3 h GLU 49 CO 0.08 0.36 0.00 0.39 -1.16 0.00 0.00 179.01 178.68 2jm3 n GLU 50 N -4.47 0.63 -0.72 2.33 4.71 -1.26 -3.58 120.64 118.27 2jm3 n GLU 50 Ca 0.06 0.00 0.04 0.00 -0.01 0.00 0.00 57.16 57.25 2jm3 n GLU 50 Cb 0.18 -1.50 0.06 0.00 -1.01 0.00 0.00 31.44 29.16 2jm3 n GLU 50 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 2jm3 n THR 51 N -1.18 0.64 -4.11 2.62 -2.24 0.09 -5.08 114.28 105.01 2jm3 n THR 51 Ca 0.18 -1.14 -0.15 0.00 -2.27 0.00 0.00 64.05 60.66 2jm3 n THR 51 Cb 0.19 0.41 -0.05 0.00 -2.10 0.00 0.00 70.33 68.78 2jm3 n THR 51 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2jm3 s VAL 52 N -0.97 0.00 0.00 2.28 0.11 -0.91 -4.60 120.40 116.31 2jm3 s VAL 52 Ca 0.21 -1.65 0.00 0.00 -2.93 0.00 0.00 61.98 57.60 2jm3 s VAL 52 Cb 0.21 -2.62 0.00 0.00 -1.53 0.00 0.00 36.38 32.44 2jm3 s VAL 52 CO -0.05 0.00 0.00 0.52 -3.33 0.00 0.00 175.10 172.24 2jm3 n VAL 53 N -0.57 0.00 0.00 2.04 0.31 -1.26 -4.85 118.33 114.00 2jm3 n VAL 53 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 2jm3 n VAL 53 Cb 0.62 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.55 2jm3 n VAL 53 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 2jm3 n SER 54 N 1.68 0.00 0.16 4.52 7.64 -1.26 -4.67 113.62 121.69 2jm3 n SER 54 Ca 0.00 0.04 0.04 0.00 1.01 0.00 0.00 58.87 59.95 2jm3 n SER 54 Cb 0.00 -0.17 0.45 0.00 -1.01 0.00 0.00 64.21 63.47 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 0.16 -6.45 1.43 5.75 -1.99 -3.43 115.11 110.58 2jm3 h GLN 55 Ca 0.00 -0.03 -0.53 0.00 -0.15 0.00 0.00 58.65 57.94 2jm3 h GLN 55 Cb 0.00 -0.03 0.02 0.00 1.07 0.00 0.00 27.48 28.55 2jm3 h GLN 55 CO 0.00 0.28 1.03 -0.51 -2.65 0.00 0.00 178.83 176.98 2jm3 s LEU 56 N -8.79 4.37 0.05 -2.39 1.02 -1.26 -4.89 118.68 106.78 2jm3 s LEU 56 Ca -0.05 2.52 0.06 0.00 0.02 0.00 0.00 54.13 56.68 2jm3 s LEU 56 Cb 0.16 -3.56 -0.02 0.00 0.02 0.00 0.00 46.19 42.78 2jm3 s LEU 56 CO 0.72 -0.91 -0.17 -0.13 0.02 0.00 0.00 176.35 175.87 2jm3 s ARG 57 N 2.79 1.13 -0.11 1.70 3.00 -1.26 -4.65 118.95 121.55 2jm3 s ARG 57 Ca 0.75 -0.87 0.03 0.00 0.00 0.00 0.00 55.73 55.64 2jm3 s ARG 57 Cb -0.40 -1.21 0.00 0.00 0.00 0.00 0.00 34.95 33.34 2jm3 s ARG 57 CO 0.33 0.30 -0.22 0.42 0.00 0.00 0.00 175.30 176.13 2jm3 s ILE 58 N -0.86 2.19 0.42 1.52 -1.09 -0.76 -0.81 121.20 121.80 2jm3 s ILE 58 Ca 0.04 -0.96 -0.25 0.00 -2.23 0.00 0.00 60.65 57.25 2jm3 s ILE 58 Cb -0.08 -1.85 -0.08 0.00 -1.58 0.00 0.00 42.46 38.86 2jm3 s ILE 58 CO 0.02 0.55 1.21 0.00 -1.23 0.00 0.00 174.94 175.49 2jm3 n SER 60 N -0.05 0.00 0.21 0.00 3.41 -0.61 -1.77 113.62 114.81 2jm3 n SER 60 Ca 0.05 -0.15 0.15 0.00 -0.26 0.00 0.00 58.87 58.65 2jm3 n SER 60 Cb 0.46 -0.22 0.51 0.00 -0.26 0.00 0.00 64.21 64.70 2jm3 n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jm3 h ALA 61 N 3.01 1.00 -0.24 7.33 0.00 -1.90 -2.95 119.26 125.50 2jm3 h ALA 61 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jm3 h ALA 61 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 2jm3 h ALA 61 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 179.25 179.97 2jm3 n HIS 62 N -2.81 0.89 -4.28 0.00 -0.00 -0.73 -4.80 115.22 103.49 2jm3 n HIS 62 Ca 0.02 -0.31 -0.17 0.00 -0.00 0.00 0.00 57.72 57.26 2jm3 n HIS 62 Cb 0.35 -0.28 -0.14 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 -1.75 0.81 -0.17 4.41 0.08 -1.11 -0.27 117.98 119.97 2jm3 s PHE 63 Ca 0.23 -0.24 -0.29 0.00 0.12 0.00 0.00 56.93 56.75 2jm3 s PHE 63 Cb 0.18 -0.50 -0.04 0.00 -0.57 0.00 0.00 43.02 42.09 2jm3 s PHE 63 CO 0.07 -0.01 1.76 -2.00 -0.10 0.00 0.00 175.22 174.93 2jm3 s GLU 64 N -0.61 3.77 0.00 0.44 -6.30 -1.26 -2.22 118.70 112.52 2jm3 s GLU 64 Ca 0.01 1.88 0.00 0.00 -2.50 0.00 0.00 54.97 54.36 2jm3 s GLU 64 Cb -0.05 -4.10 0.00 0.00 0.00 0.00 0.00 34.13 29.98 2jm3 s GLU 64 CO 0.00 -1.34 0.00 0.41 0.02 0.00 0.00 175.26 174.35 2jm3 n GLY 65 N 4.77 2.91 1.84 -1.50 0.00 -1.26 -4.09 105.19 107.86 2jm3 n GLY 65 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.07 0.55 3.21 -0.02 0.00 -0.94 -5.01 105.19 101.91 2jm3 n GLY 66 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.09 2.40 -0.40 1.61 -1.05 -1.26 -4.82 118.70 115.10 2jm3 s GLU 67 Ca 0.00 -1.55 -0.24 0.00 -0.15 0.00 0.00 54.97 53.03 2jm3 s GLU 67 Cb 0.00 -3.64 0.02 0.00 -0.44 0.00 0.00 34.13 30.06 2jm3 s GLU 67 CO 0.00 -0.95 0.82 0.21 0.95 0.00 0.00 175.26 176.28 2jm3 s LYS 68 N 1.31 3.66 0.00 -4.83 2.20 -1.26 -4.91 119.74 115.91 2jm3 s LYS 68 Ca 0.03 0.23 0.00 0.00 -0.36 0.00 0.00 55.97 55.87 2jm3 s LYS 68 Cb -0.23 -3.85 0.00 0.00 -1.51 0.00 0.00 37.83 32.24 2jm3 s LYS 68 CO -0.00 -0.96 0.00 1.63 -0.36 0.00 0.00 175.35 175.65 2jm3 n LYS 69 N 6.61 0.00 0.00 4.03 5.02 -1.26 -5.02 118.16 127.54 2jm3 n LYS 69 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 2jm3 n LYS 69 Cb 0.48 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.49 2jm3 n LYS 69 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2jm3 n GLU 70 N 0.00 0.37 -0.46 1.97 4.71 -1.26 -4.80 120.64 121.16 2jm3 n GLU 70 Ca 0.00 -0.17 0.01 0.00 -0.01 0.00 0.00 57.16 56.99 2jm3 n GLU 70 Cb 0.00 -0.60 0.01 0.00 -1.01 0.00 0.00 31.44 29.84 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 0.10 0.74 3.57 0.62 0.00 -1.26 -4.55 105.19 104.41 2jm3 n GLY 71 Ca 0.00 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.11 4.97 0.03 1.61 1.11 -1.26 -0.49 116.67 121.53 2jm3 s ASP 72 Ca 0.02 -0.03 0.07 0.00 0.18 0.00 0.00 52.55 52.79 2jm3 s ASP 72 Cb 0.02 -1.65 -0.03 0.00 1.07 0.00 0.00 42.92 42.33 2jm3 s ASP 72 CO 0.00 0.24 -0.19 -0.63 1.18 0.00 0.00 175.17 175.78 2jm3 s ILE 73 N -0.08 2.70 0.69 0.77 1.01 -0.88 -4.84 121.20 120.57 2jm3 s ILE 73 Ca 0.03 -1.15 -0.14 0.00 0.00 0.00 0.00 60.65 59.39 2jm3 s ILE 73 Cb -0.13 -2.11 0.02 0.00 0.01 0.00 0.00 42.46 40.25 2jm3 s ILE 73 CO 0.02 0.39 1.13 -2.16 0.00 0.00 0.00 174.94 174.32 2jm3 s PRO 74 N -1.28 2.56 0.09 2.79 0.04 -1.26 -4.47 135.00 133.47 2jm3 s PRO 74 Ca 0.14 1.44 0.03 0.00 0.04 0.00 0.00 61.00 62.64 2jm3 s PRO 74 Cb -0.10 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 2jm3 s PRO 74 CO 0.04 -1.45 -0.09 0.14 0.04 0.00 0.00 177.00 175.69 2jm3 s VAL 75 N -2.35 0.80 0.36 -0.36 -7.23 0.63 -4.61 120.40 107.64 2jm3 s VAL 75 Ca 0.68 -1.63 0.09 0.00 -1.81 0.00 0.00 61.98 59.30 2jm3 s VAL 75 Cb -0.22 -1.33 0.12 0.00 0.56 0.00 0.00 36.38 35.52 2jm3 s VAL 75 CO 0.44 -0.62 1.86 1.55 -0.31 0.00 0.00 175.10 178.02 2jm3 h PRO 76 N 3.54 0.23 -0.65 4.82 0.13 -1.87 -3.42 132.00 134.78 2jm3 h PRO 76 Ca -0.36 -0.07 0.15 0.00 -0.87 0.00 0.00 66.00 64.85 2jm3 h PRO 76 Cb 1.18 -0.02 -0.21 0.00 0.13 0.00 0.00 31.00 32.08 2jm3 h PRO 76 CO 0.54 0.44 -0.11 0.34 -0.23 0.00 0.00 178.00 178.98 2jm3 s ASP 77 N -6.88 -0.96 0.43 1.44 -1.08 -1.26 -4.85 116.67 103.51 2jm3 s ASP 77 Ca -0.05 0.41 0.29 0.00 -0.52 0.00 0.00 52.55 52.68 2jm3 s ASP 77 Cb 0.15 1.73 1.56 0.00 -1.46 0.00 0.00 42.92 44.90 2jm3 s ASP 77 CO 0.74 -0.18 1.88 -0.65 0.52 0.00 0.00 175.17 177.48 2jm3 h PRO 78 N 7.87 0.00 0.00 4.34 0.11 -1.82 0.52 132.00 143.03 2jm3 h PRO 78 Ca -0.13 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.77 2jm3 h PRO 78 Cb 1.17 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 2jm3 h PRO 78 CO 0.06 0.00 -1.99 0.25 -0.21 0.00 0.00 178.00 176.11 2jm3 n THR 79 N -2.51 0.93 -0.14 -1.15 -2.24 -1.26 -4.57 114.28 103.35 2jm3 n THR 79 Ca -0.02 -0.71 -0.28 0.00 -2.27 0.00 0.00 64.05 60.77 2jm3 n THR 79 Cb 0.04 -0.41 -0.10 0.00 -2.10 0.00 0.00 70.33 67.76 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 -2.65 1.53 -3.47 2.28 0.31 -0.50 -4.97 118.33 110.86 2jm3 n VAL 80 Ca -0.18 -0.39 -0.32 0.00 -0.01 0.00 0.00 64.34 63.44 2jm3 n VAL 80 Cb 0.90 -1.84 -0.05 0.00 -0.91 0.00 0.00 33.84 31.93 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 -7.37 6.63 -0.89 4.52 -1.08 0.17 -4.99 116.67 113.65 2jm3 s ASP 81 Ca -0.38 0.87 -0.24 0.00 -0.52 0.00 0.00 52.55 52.28 2jm3 s ASP 81 Cb 0.14 -2.21 0.01 0.00 -1.46 0.00 0.00 42.92 39.40 2jm3 s ASP 81 CO 0.51 -0.01 1.64 -0.54 0.52 0.00 0.00 175.17 177.29 2jm3 s LYS 82 N -2.62 3.08 -0.23 4.34 3.01 -1.26 -4.45 119.74 121.62 2jm3 s LYS 82 Ca 0.44 -0.52 -0.20 0.00 -1.01 0.00 0.00 55.97 54.68 2jm3 s LYS 82 Cb -0.12 -4.98 -0.09 0.00 -1.01 0.00 0.00 37.83 31.63 2jm3 s LYS 82 CO 0.21 -2.65 0.88 0.94 0.51 0.00 0.00 175.35 175.24 2jm3 n GLN 83 N 8.98 0.00 -2.58 1.68 -0.06 -1.26 -4.82 117.38 119.32 2jm3 n GLN 83 Ca 0.30 0.00 -0.43 0.00 -2.00 0.00 0.00 57.00 54.87 2jm3 n GLN 83 Cb 0.49 -0.68 -0.02 0.00 -4.06 0.00 0.00 30.24 25.98 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 2.23 4.19 -0.03 1.69 1.01 -1.26 -4.99 121.20 124.04 2jm3 s ILE 84 Ca 0.52 1.22 -0.00 0.00 0.00 0.00 0.00 60.65 62.39 2jm3 s ILE 84 Cb -0.68 -4.56 0.03 0.00 0.01 0.00 0.00 42.46 37.26 2jm3 s ILE 84 CO 0.32 -0.96 0.02 -0.54 0.00 0.00 0.00 174.94 173.79 2jm3 s LYS 85 N 4.46 0.13 0.16 2.79 1.02 -1.26 -2.08 119.74 124.97 2jm3 s LYS 85 Ca 0.49 0.15 -0.30 0.00 0.02 0.00 0.00 55.97 56.33 2jm3 s LYS 85 Cb -0.08 -0.40 -0.07 0.00 -0.52 0.00 0.00 37.83 36.76 2jm3 s LYS 85 CO 0.31 -0.17 0.96 0.42 -0.92 0.00 0.00 175.35 175.95 2jm3 s ILE 86 N 1.18 4.32 -0.67 2.17 1.09 0.36 -4.96 121.20 124.69 2jm3 s ILE 86 Ca -0.08 2.06 -0.26 0.00 -1.10 0.00 0.00 60.65 61.27 2jm3 s ILE 86 Cb -0.13 -4.32 -0.01 0.00 -1.06 0.00 0.00 42.46 36.94 2jm3 s ILE 86 CO -0.02 0.38 1.76 -1.83 -0.10 0.00 0.00 174.94 175.13 2jm3 s GLU 87 N -0.45 2.74 -0.06 2.79 -1.05 -1.26 -4.74 118.70 116.67 2jm3 s GLU 87 Ca 0.45 0.34 -0.03 0.00 -0.15 0.00 0.00 54.97 55.58 2jm3 s GLU 87 Cb -0.25 -4.43 -0.04 0.00 -0.44 0.00 0.00 34.13 28.97 2jm3 s GLU 87 CO 0.31 -2.68 0.10 -1.17 0.95 0.00 0.00 175.26 172.76 2jm3 s LEU 88 N 8.50 4.05 0.37 1.83 2.96 -1.26 -5.07 118.68 130.05 2jm3 s LEU 88 Ca 0.61 0.27 -0.26 0.00 -0.22 0.00 0.00 54.13 54.54 2jm3 s LEU 88 Cb -0.11 -2.16 -0.12 0.00 0.50 0.00 0.00 46.19 44.30 2jm3 s LEU 88 CO 0.17 0.34 0.96 -2.65 -1.32 0.00 0.00 176.35 173.85 2jm3 n PRO 89 N 1.60 1.27 0.02 0.98 -0.02 -1.26 -4.82 135.00 132.77 2jm3 n PRO 89 Ca -0.16 0.45 0.01 0.00 -2.02 0.00 0.00 63.50 61.78 2jm3 n PRO 89 Cb 0.54 -1.91 0.07 0.00 -0.02 0.00 0.00 33.50 32.18 2jm3 n PRO 89 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2jm3 n PRO 90 N 0.43 0.02 -0.83 0.52 -0.02 -1.26 -5.09 135.00 128.77 2jm3 n PRO 90 Ca 0.10 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 2jm3 n PRO 90 Cb 0.36 -1.69 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 2jm3 n PRO 90 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11