#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jm3 s SER 2 N 0.00 4.45 -0.17 1.61 0.01 -1.26 -5.02 113.70 113.32 2jm3 s SER 2 Ca 0.00 0.50 -0.29 0.00 1.31 0.00 0.00 55.95 57.46 2jm3 s SER 2 Cb 0.00 -0.99 -0.00 0.00 0.21 0.00 0.00 66.02 65.23 2jm3 s SER 2 CO 0.00 -1.88 1.07 -0.32 0.41 0.00 0.00 173.24 172.52 2jm3 s MET 3 N -5.44 4.31 -1.35 12.44 0.00 -1.26 -4.93 119.30 123.07 2jm3 s MET 3 Ca 0.63 1.43 -0.10 0.00 0.00 0.00 0.00 55.69 57.65 2jm3 s MET 3 Cb -0.10 -3.62 -0.07 0.00 0.00 0.00 0.00 34.83 31.05 2jm3 s MET 3 CO 0.47 -0.53 2.56 -0.35 0.00 0.00 0.00 175.02 177.18 2jm3 n PRO 4 N 5.85 2.99 -1.71 4.11 -0.04 -1.26 -4.94 135.00 139.99 2jm3 n PRO 4 Ca 0.11 -2.01 -0.43 0.00 -0.04 0.00 0.00 63.50 61.13 2jm3 n PRO 4 Cb 0.47 -2.77 -0.03 0.00 -0.04 0.00 0.00 33.50 31.13 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 4.11 0.02 -5.08 0.52 -1.04 -1.26 -5.00 114.28 106.54 2jm3 n THR 5 Ca 0.64 -0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 62.32 2jm3 n THR 5 Cb 0.23 -1.95 -0.15 0.00 -1.82 0.00 0.00 70.33 66.64 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 1.24 2.49 0.04 12.58 2.01 -1.26 -5.05 115.64 127.69 2jm3 s THR 6 Ca 0.76 -0.91 -0.30 0.00 0.31 0.00 0.00 61.69 61.55 2jm3 s THR 6 Cb -0.52 -1.95 -0.08 0.00 0.01 0.00 0.00 72.50 69.96 2jm3 s THR 6 CO 0.33 0.57 1.68 0.00 -0.69 0.00 0.00 174.62 176.51 2jm3 n GLY 8 N 4.08 0.12 3.74 0.00 0.00 0.11 -4.82 105.19 108.41 2jm3 n GLY 8 Ca 0.17 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.78 3.37 -0.75 1.61 2.19 -1.26 -4.88 117.98 116.47 2jm3 s PHE 9 Ca 0.28 1.36 -0.24 0.00 0.33 0.00 0.00 56.93 58.67 2jm3 s PHE 9 Cb 0.15 -3.49 -0.16 0.00 -1.31 0.00 0.00 43.02 38.21 2jm3 s PHE 9 CO 0.22 -1.42 2.42 -0.35 1.83 0.00 0.00 175.22 177.92 2jm3 n PRO 10 N 2.50 0.55 -2.59 10.12 -0.04 -1.26 -3.07 135.00 141.21 2jm3 n PRO 10 Ca 0.05 -0.32 -0.06 0.00 -0.04 0.00 0.00 63.50 63.13 2jm3 n PRO 10 Cb 0.44 -2.88 0.01 0.00 -0.04 0.00 0.00 33.50 31.03 2jm3 n PRO 10 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2jm3 n ASN 11 N 14.56 -6.79 -4.56 3.54 5.15 -1.26 -4.85 115.26 121.05 2jm3 n ASN 11 Ca 0.50 0.42 -0.28 0.00 -0.60 0.00 0.00 54.58 54.62 2jm3 n ASN 11 Cb 0.37 -4.54 -0.05 0.00 -0.53 0.00 0.00 39.78 35.03 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 8.90 0.05 0.04 0.00 2.85 -1.26 -1.39 118.16 127.35 2jm3 n LYS 13 Ca 0.37 0.43 -0.19 0.00 -1.05 0.00 0.00 58.31 57.87 2jm3 n LYS 13 Cb 0.48 -1.63 -0.14 0.00 -0.65 0.00 0.00 35.03 33.09 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 0.52 0.00 5.58 0.04 -1.94 -2.56 116.94 118.57 2jm3 h PHE 14 Ca 0.00 -0.38 -0.08 0.00 2.80 0.00 0.00 57.97 60.32 2jm3 h PHE 14 Cb 0.13 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 2jm3 h PHE 14 CO 0.00 1.56 -0.74 0.07 -0.60 0.00 0.00 178.31 178.60 2jm3 h ARG 15 N 0.08 0.00 -0.45 1.51 0.11 -1.82 -3.15 114.38 110.65 2jm3 h ARG 15 Ca -0.33 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.75 2jm3 h ARG 15 Cb 2.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.13 2jm3 h ARG 15 CO 0.14 0.23 0.00 0.43 0.10 0.00 0.00 179.97 180.87 2jm3 n SER 16 N -2.99 2.20 0.04 0.08 7.64 -0.49 -3.68 113.62 116.42 2jm3 n SER 16 Ca -0.01 -2.10 0.12 0.00 1.01 0.00 0.00 58.87 57.89 2jm3 n SER 16 Cb 0.68 -0.32 0.21 0.00 -1.01 0.00 0.00 64.21 63.77 2jm3 n SER 16 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2jm3 n ARG 17 N 0.48 0.19 -3.31 1.43 0.63 -0.97 -4.94 116.66 110.18 2jm3 n ARG 17 Ca 0.12 0.05 -0.19 0.00 -0.92 0.00 0.00 57.85 56.92 2jm3 n ARG 17 Cb 0.39 -1.62 -0.01 0.00 0.45 0.00 0.00 32.46 31.67 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 -3.11 2.79 -1.42 -0.14 1.51 -1.24 -5.01 117.35 110.73 2jm3 s TYR 18 Ca 0.08 -0.42 -0.11 0.00 -1.01 0.00 0.00 57.07 55.61 2jm3 s TYR 18 Cb 0.15 -2.24 0.06 0.00 -0.11 0.00 0.00 41.96 39.82 2jm3 s TYR 18 CO 0.71 -0.24 2.30 0.54 -1.11 0.00 0.00 175.55 177.75 2jm3 n ARG 19 N -1.69 3.51 0.00 -0.62 5.12 -1.26 -4.63 116.66 117.08 2jm3 n ARG 19 Ca 0.05 -2.91 0.00 0.00 -1.93 0.00 0.00 57.85 53.06 2jm3 n ARG 19 Cb 0.60 -2.99 0.00 0.00 -1.16 0.00 0.00 32.46 28.91 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 3.26 1.87 3.56 -0.13 0.00 -1.26 -4.89 105.19 107.61 2jm3 n GLY 20 Ca 0.55 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 46.01 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 3.31 0.00 0.99 1.02 -1.26 -4.84 118.68 117.90 2jm3 s LEU 21 Ca 0.00 -1.14 0.00 0.00 0.02 0.00 0.00 54.13 53.01 2jm3 s LEU 21 Cb 0.00 -2.57 0.00 0.00 0.02 0.00 0.00 46.19 43.64 2jm3 s LEU 21 CO 0.00 -2.28 0.46 -1.84 0.02 0.00 0.00 176.35 172.72 2jm3 n GLU 22 N 8.78 0.27 0.00 1.70 -0.00 -1.26 -4.64 120.64 125.48 2jm3 n GLU 22 Ca 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.55 2jm3 n GLU 22 Cb 0.48 -1.37 0.00 0.00 -0.00 0.00 0.00 31.44 30.56 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 1.59 0.00 -3.69 -1.84 2.03 -1.26 -3.62 116.55 109.76 2jm3 n ASP 23 Ca 0.00 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.08 2jm3 n ASP 23 Cb 0.13 -0.19 0.04 0.00 -0.72 0.00 0.00 41.12 40.39 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 0.00 -2.37 -4.49 1.67 5.15 -1.26 -4.90 115.26 109.06 2jm3 n ASN 24 Ca 0.00 -0.76 -0.30 0.00 -0.60 0.00 0.00 54.58 52.92 2jm3 n ASN 24 Cb 0.00 -4.26 0.21 0.00 -0.53 0.00 0.00 39.78 35.20 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 -4.39 -1.56 -2.65 1.20 1.74 -1.24 -4.97 116.66 104.80 2jm3 n ARG 25 Ca -0.21 -0.42 -0.43 0.00 -0.77 0.00 0.00 57.85 56.03 2jm3 n ARG 25 Cb 0.64 -2.11 -0.02 0.00 -1.02 0.00 0.00 32.46 29.94 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 -2.44 3.42 -0.09 -1.55 2.46 -1.26 -4.95 115.29 110.88 2jm3 s HIS 26 Ca 0.65 1.51 0.01 0.00 0.47 0.00 0.00 55.06 57.70 2jm3 s HIS 26 Cb -0.22 -3.24 -0.02 0.00 -0.13 0.00 0.00 32.58 28.97 2jm3 s HIS 26 CO 0.64 -0.44 -0.13 -0.06 -2.47 0.00 0.00 174.74 172.28 2jm3 s PHE 27 N 2.33 2.78 0.09 3.88 0.08 -1.26 -1.38 117.98 124.50 2jm3 s PHE 27 Ca 0.48 -0.35 0.02 0.00 0.12 0.00 0.00 56.93 57.20 2jm3 s PHE 27 Cb -0.18 -1.74 -0.04 0.00 -0.57 0.00 0.00 43.02 40.49 2jm3 s PHE 27 CO 0.16 0.02 0.16 0.71 -0.10 0.00 0.00 175.22 176.17 2jm3 s TYR 28 N -0.23 3.36 -1.95 0.36 1.51 0.63 -4.90 117.35 116.12 2jm3 s TYR 28 Ca 0.01 0.14 0.13 0.00 -1.01 0.00 0.00 57.07 56.34 2jm3 s TYR 28 Cb -0.13 -1.67 0.37 0.00 -0.11 0.00 0.00 41.96 40.41 2jm3 s TYR 28 CO 0.03 0.55 1.30 -2.13 -1.11 0.00 0.00 175.55 174.19 2jm3 n ARG 29 N 0.19 2.00 -2.43 -0.62 3.00 -1.26 -2.45 116.66 115.08 2jm3 n ARG 29 Ca -0.07 -1.49 -0.02 0.00 -0.00 0.00 0.00 57.85 56.27 2jm3 n ARG 29 Cb 0.52 -1.34 -0.01 0.00 0.00 0.00 0.00 32.46 31.63 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 0.70-10.33 -1.41 5.15 -0.00 -1.26 -4.80 119.36 107.40 2jm3 n ILE 30 Ca 0.14 1.73 -0.62 0.00 -0.00 0.00 0.00 62.75 64.00 2jm3 n ILE 30 Cb 0.36 -6.22 -0.11 0.00 -0.00 0.00 0.00 39.64 33.67 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 0.82 0.05 -0.17 0.38 -0.02 -1.26 -4.82 135.00 129.98 2jm3 n PRO 31 Ca -0.11 0.01 0.10 0.00 -2.02 0.00 0.00 63.50 61.48 2jm3 n PRO 31 Cb 0.17 -1.53 0.27 0.00 -0.02 0.00 0.00 33.50 32.39 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 6.43 2.12 -3.65 -0.52 5.02 -1.26 -3.22 118.16 123.09 2jm3 n LYS 32 Ca 0.47 -1.70 -0.17 0.00 -2.02 0.00 0.00 58.31 54.89 2jm3 n LYS 32 Cb -0.04 -1.43 -0.15 0.00 -0.02 0.00 0.00 35.03 33.39 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 -1.55 0.07 0.60 1.97 6.06 -1.26 -2.87 118.95 121.97 2jm3 s ARG 33 Ca 0.35 0.53 -0.17 0.00 -2.50 0.00 0.00 55.73 53.94 2jm3 s ARG 33 Cb 0.19 -0.39 -0.03 0.00 0.06 0.00 0.00 34.95 34.78 2jm3 s ARG 33 CO 0.27 -0.35 1.09 -1.25 -2.50 0.00 0.00 175.30 172.56 2jm3 s PRO 34 N 2.31 3.16 0.48 5.12 0.04 -1.26 -4.96 135.00 139.89 2jm3 s PRO 34 Ca 0.03 1.39 0.19 0.00 0.04 0.00 0.00 61.00 62.65 2jm3 s PRO 34 Cb -0.13 -2.00 1.19 0.00 0.04 0.00 0.00 34.50 33.61 2jm3 s PRO 34 CO -0.07 -0.96 2.04 -0.07 0.04 0.00 0.00 177.00 177.98 2jm3 h LEU 35 N 0.55 0.00 -1.73 -3.56 3.38 -1.85 -0.13 115.31 111.97 2jm3 h LEU 35 Ca -0.48 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.46 2jm3 h LEU 35 Cb 1.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 2jm3 h LEU 35 CO 0.56 0.15 -0.17 -0.29 0.09 0.00 0.00 178.44 178.78 2jm3 h ILE 36 N 0.00 0.73 0.23 1.22 6.09 -1.95 0.14 117.51 123.97 2jm3 h ILE 36 Ca -0.00 -0.69 -0.32 0.00 -1.37 0.00 0.00 64.86 62.48 2jm3 h ILE 36 Cb 0.29 1.42 0.04 0.00 0.47 0.00 0.00 36.82 39.04 2jm3 h ILE 36 CO 0.02 0.17 -1.38 0.25 -3.07 0.00 0.00 178.15 174.14 2jm3 h LEU 37 N 0.00 0.81 -0.97 2.19 5.85 -1.36 -2.94 115.31 118.90 2jm3 h LEU 37 Ca -0.00 -0.91 -0.01 0.00 0.84 0.00 0.00 57.88 57.80 2jm3 h LEU 37 Cb 0.41 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 2jm3 h LEU 37 CO 0.02 1.67 0.54 -0.09 -0.34 0.00 0.00 178.44 180.24 2jm3 h ARG 38 N 0.10 1.25 -0.73 1.25 2.43 -0.95 -0.27 114.38 117.46 2jm3 h ARG 38 Ca -0.24 -0.12 0.05 0.00 -0.81 0.00 0.00 59.98 58.86 2jm3 h ARG 38 Cb 2.08 -0.26 -0.04 0.00 -0.42 0.00 0.00 29.97 31.33 2jm3 h ARG 38 CO 0.26 0.89 0.48 0.37 -1.51 0.00 0.00 179.97 180.46 2jm3 h GLN 39 N 1.27 0.79 0.00 0.20 -0.00 -0.77 -1.23 115.11 115.37 2jm3 h GLN 39 Ca 0.33 -0.05 -0.15 0.00 -0.00 0.00 0.00 58.65 58.78 2jm3 h GLN 39 Cb -0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 27.48 27.25 2jm3 h GLN 39 CO -0.06 0.53 -0.70 0.00 0.00 0.00 0.00 178.83 178.59 2jm3 h ARG 40 N 0.82 0.00 0.00 1.69 2.47 -1.12 -3.09 114.38 115.14 2jm3 h ARG 40 Ca 0.30 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.99 2jm3 h ARG 40 Cb 0.17 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.48 2jm3 h ARG 40 CO -0.10 0.70 -0.18 -1.49 0.56 0.00 0.00 179.97 179.46 2jm3 h TRP 41 N 0.00 0.00 0.00 3.04 4.06 0.12 -1.81 115.95 121.36 2jm3 h TRP 41 Ca -0.01 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.94 2jm3 h TRP 41 Cb 1.47 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.63 2jm3 h TRP 41 CO 0.00 0.18 -0.02 -0.07 -3.56 0.00 0.00 178.44 174.98 2jm3 h LEU 42 N 0.00 0.00 -1.23 -4.49 3.38 -1.36 -3.18 115.31 108.43 2jm3 h LEU 42 Ca -0.00 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2jm3 h LEU 42 Cb 0.34 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 2jm3 h LEU 42 CO 0.02 0.02 0.52 0.74 0.09 0.00 0.00 178.44 179.84 2jm3 h THR 43 N 0.00 1.19 -0.03 0.22 2.02 -1.42 0.50 112.91 115.39 2jm3 h THR 43 Ca -0.00 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 66.80 2jm3 h THR 43 Cb 0.66 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 2jm3 h THR 43 CO 0.00 0.19 -0.06 0.00 0.37 0.00 0.00 175.52 176.02 2jm3 h ALA 44 N 1.52 0.05 0.00 6.16 0.00 -1.70 -3.22 119.26 122.07 2jm3 h ALA 44 Ca 0.29 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jm3 h ALA 44 Cb -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2jm3 h ALA 44 CO -0.07 -0.12 -0.05 -0.84 0.00 0.00 0.00 179.25 178.17 2jm3 h ILE 45 N -0.43 0.00 -5.63 0.00 3.07 -1.68 -3.45 117.51 109.39 2jm3 h ILE 45 Ca 0.00 -0.57 -0.36 0.00 1.55 0.00 0.00 64.86 65.48 2jm3 h ILE 45 Cb 0.63 1.54 0.15 0.00 -0.27 0.00 0.00 36.82 38.86 2jm3 h ILE 45 CO 0.01 0.00 -0.69 0.61 -1.05 0.00 0.00 178.15 177.03 2jm3 n GLY 46 N 1.28 -0.44 3.54 0.16 0.00 0.16 -4.78 105.19 105.11 2jm3 n GLY 46 Ca 0.05 0.17 -0.25 0.00 0.00 0.00 0.00 46.02 46.00 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 -5.92 1.94 0.58 1.61 3.52 -1.16 -5.07 118.95 114.45 2jm3 s ARG 47 Ca 0.36 -1.50 -0.06 0.00 -0.13 0.00 0.00 55.73 54.40 2jm3 s ARG 47 Cb -0.16 -2.00 0.01 0.00 -1.56 0.00 0.00 34.95 31.24 2jm3 s ARG 47 CO 0.71 0.38 0.89 0.95 -0.81 0.00 0.00 175.30 177.42 2jm3 s THR 48 N -2.14 3.69 -1.87 4.11 -4.23 -1.26 -4.85 115.64 109.09 2jm3 s THR 48 Ca 0.28 -0.00 0.29 0.00 -1.18 0.00 0.00 61.69 61.08 2jm3 s THR 48 Cb -0.07 -3.46 0.76 0.00 1.34 0.00 0.00 72.50 71.07 2jm3 s THR 48 CO 0.16 -0.47 2.07 -0.62 -0.54 0.00 0.00 174.62 175.22 2jm3 n GLU 49 N -2.56 0.81 0.01 3.99 4.71 -1.26 -1.79 120.64 124.54 2jm3 n GLU 49 Ca 0.04 0.00 0.11 0.00 -0.01 0.00 0.00 57.16 57.31 2jm3 n GLU 49 Cb 0.57 -1.50 -0.04 0.00 -1.01 0.00 0.00 31.44 29.46 2jm3 n GLU 49 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2jm3 n GLU 50 N -1.06 0.26 -0.02 3.49 1.02 -1.26 -4.42 120.64 118.64 2jm3 n GLU 50 Ca 0.20 -0.04 0.01 0.00 -0.02 0.00 0.00 57.16 57.32 2jm3 n GLU 50 Cb 0.13 -1.55 -0.07 0.00 -0.02 0.00 0.00 31.44 29.92 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 -1.86 0.27 0.66 2.62 -2.24 -0.87 -4.56 114.28 108.29 2jm3 n THR 51 Ca 0.02 -0.29 -0.02 0.00 -2.27 0.00 0.00 64.05 61.48 2jm3 n THR 51 Cb 0.42 -0.17 0.04 0.00 -2.10 0.00 0.00 70.33 68.53 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 -2.05 1.09 0.00 2.28 3.14 -0.74 -3.51 118.33 118.53 2jm3 n VAL 52 Ca -0.07 -0.29 0.00 0.00 -2.96 0.00 0.00 64.34 61.02 2jm3 n VAL 52 Cb 0.49 -0.78 0.00 0.00 -1.06 0.00 0.00 33.84 32.48 2jm3 n VAL 52 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 2jm3 n VAL 53 N 0.19 0.00 0.00 1.55 0.31 -1.26 -4.80 118.33 114.32 2jm3 n VAL 53 Ca 0.08 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 2jm3 n VAL 53 Cb 0.61 0.74 0.00 0.00 -0.91 0.00 0.00 33.84 34.28 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 -0.61 0.00 -0.67 4.52 3.41 -1.23 -4.74 113.62 114.31 2jm3 n SER 54 Ca 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.68 2jm3 n SER 54 Cb 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 64.21 64.08 2jm3 n SER 54 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2jm3 n GLN 55 N 0.00 2.11 -1.91 4.33 0.00 -1.26 -4.97 117.38 115.68 2jm3 n GLN 55 Ca 0.00 -1.83 -0.42 0.00 -0.00 0.00 0.00 57.00 54.75 2jm3 n GLN 55 Cb 0.00 -1.29 -0.03 0.00 0.00 0.00 0.00 30.24 28.92 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 -1.03 3.46 -0.04 1.69 0.20 -1.26 -4.55 118.68 117.15 2jm3 s LEU 56 Ca 0.23 1.27 0.04 0.00 0.69 0.00 0.00 54.13 56.36 2jm3 s LEU 56 Cb 0.13 -3.34 0.00 0.00 -0.43 0.00 0.00 46.19 42.55 2jm3 s LEU 56 CO 0.18 -1.90 -0.14 -0.13 -0.29 0.00 0.00 176.35 174.06 2jm3 s ARG 57 N 6.09 1.56 -0.15 1.98 3.00 -1.22 -4.78 118.95 125.42 2jm3 s ARG 57 Ca 0.83 -0.51 -0.12 0.00 0.00 0.00 0.00 55.73 55.93 2jm3 s ARG 57 Cb -0.23 -1.36 -0.05 0.00 0.00 0.00 0.00 34.95 33.31 2jm3 s ARG 57 CO 0.32 0.18 0.24 0.42 0.00 0.00 0.00 175.30 176.46 2jm3 s ILE 58 N 0.15 5.34 0.34 1.52 -1.09 -1.02 0.07 121.20 126.51 2jm3 s ILE 58 Ca -0.05 0.43 -0.06 0.00 -2.23 0.00 0.00 60.65 58.74 2jm3 s ILE 58 Cb -0.11 -3.56 -0.05 0.00 -1.58 0.00 0.00 42.46 37.15 2jm3 s ILE 58 CO 0.02 0.45 0.62 0.00 -1.23 0.00 0.00 174.94 174.80 2jm3 n SER 60 N -1.23 0.00 -0.53 0.00 7.64 -0.48 -2.55 113.62 116.47 2jm3 n SER 60 Ca -0.01 -0.28 0.04 0.00 1.01 0.00 0.00 58.87 59.63 2jm3 n SER 60 Cb 0.54 -0.05 0.12 0.00 -1.01 0.00 0.00 64.21 63.81 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 -1.05 2.50 -1.32 -0.43 0.00 -1.26 -3.35 120.51 115.59 2jm3 n ALA 61 Ca 0.08 -0.48 0.05 0.00 0.00 0.00 0.00 53.44 53.09 2jm3 n ALA 61 Cb 0.05 -0.98 0.20 0.00 0.00 0.00 0.00 19.45 18.71 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 0.27 0.42 -3.78 0.00 -0.00 -1.06 -4.68 115.22 106.40 2jm3 n HIS 62 Ca 0.09 -1.29 -0.20 0.00 -0.00 0.00 0.00 57.72 56.32 2jm3 n HIS 62 Cb 0.25 -0.29 -0.17 0.00 -0.00 0.00 0.00 29.99 29.78 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 -3.08 0.29 -0.31 4.41 0.08 -1.21 -0.16 117.98 117.99 2jm3 s PHE 63 Ca 0.39 0.06 -0.28 0.00 0.12 0.00 0.00 56.93 57.22 2jm3 s PHE 63 Cb 0.35 -0.53 -0.04 0.00 -0.57 0.00 0.00 43.02 42.23 2jm3 s PHE 63 CO -0.00 -0.20 2.04 -2.00 -0.10 0.00 0.00 175.22 174.96 2jm3 s GLU 64 N 1.72 3.08 0.00 0.44 2.56 -1.26 -0.77 118.70 124.48 2jm3 s GLU 64 Ca -0.00 1.63 0.00 0.00 0.00 0.00 0.00 54.97 56.60 2jm3 s GLU 64 Cb -0.13 -4.32 0.00 0.00 2.00 0.00 0.00 34.13 31.68 2jm3 s GLU 64 CO -0.03 -2.16 0.00 0.41 -0.56 0.00 0.00 175.26 172.92 2jm3 n GLY 65 N 5.64 1.54 0.71 -1.50 0.00 -1.26 -4.74 105.19 105.59 2jm3 n GLY 65 Ca 0.27 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.82 3.46 -0.02 0.00 0.05 -5.05 105.19 104.45 2jm3 n GLY 66 Ca 0.00 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.65 0.62 -0.39 1.61 2.12 -1.26 -4.82 118.70 115.93 2jm3 s GLU 67 Ca 0.00 0.86 -0.29 0.00 0.36 0.00 0.00 54.97 55.91 2jm3 s GLU 67 Cb 0.00 0.23 0.02 0.00 0.26 0.00 0.00 34.13 34.63 2jm3 s GLU 67 CO 0.00 -0.11 1.24 0.21 -0.54 0.00 0.00 175.26 176.07 2jm3 s LYS 68 N 0.73 3.78 -0.07 4.30 2.20 -1.26 -4.84 119.74 124.58 2jm3 s LYS 68 Ca -0.03 0.91 0.05 0.00 -0.36 0.00 0.00 55.97 56.53 2jm3 s LYS 68 Cb -0.05 -3.91 -0.07 0.00 -1.51 0.00 0.00 37.83 32.29 2jm3 s LYS 68 CO -0.05 -1.30 0.01 1.63 -0.36 0.00 0.00 175.35 175.27 2jm3 n LYS 69 N 7.64 2.46 0.00 4.03 5.02 -1.26 -5.02 118.16 131.03 2jm3 n LYS 69 Ca 0.14 0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 2jm3 n LYS 69 Cb 0.48 -1.16 0.00 0.00 -0.02 0.00 0.00 35.03 34.32 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 -2.33 0.00 -1.45 1.97 1.02 -1.26 -4.98 120.64 113.61 2jm3 n GLU 70 Ca -0.11 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.73 2jm3 n GLU 70 Cb 0.70 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 32.13 2jm3 n GLU 70 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jm3 n GLY 71 N 1.88 4.90 3.65 0.62 0.00 -1.22 -4.96 105.19 110.05 2jm3 n GLY 71 Ca 0.00 -1.96 -0.43 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.48 6.81 0.05 1.61 1.11 -1.26 -0.14 116.67 124.37 2jm3 s ASP 72 Ca 0.53 1.61 -0.18 0.00 0.18 0.00 0.00 52.55 54.69 2jm3 s ASP 72 Cb 0.39 -2.54 -0.06 0.00 1.07 0.00 0.00 42.92 41.78 2jm3 s ASP 72 CO -0.19 -0.89 0.52 -0.63 1.18 0.00 0.00 175.17 175.16 2jm3 s ILE 73 N 3.90 4.83 0.48 0.77 1.01 0.39 -4.96 121.20 127.62 2jm3 s ILE 73 Ca 0.58 1.09 -0.23 0.00 0.00 0.00 0.00 60.65 62.08 2jm3 s ILE 73 Cb -0.22 -3.83 -0.07 0.00 0.01 0.00 0.00 42.46 38.35 2jm3 s ILE 73 CO 0.19 0.55 1.27 -2.16 0.00 0.00 0.00 174.94 174.79 2jm3 s PRO 74 N -1.13 3.58 0.14 2.79 0.04 -1.26 -4.14 135.00 135.02 2jm3 s PRO 74 Ca 0.28 2.03 0.09 0.00 0.04 0.00 0.00 61.00 63.43 2jm3 s PRO 74 Cb -0.18 -2.43 -0.04 0.00 0.04 0.00 0.00 34.50 31.89 2jm3 s PRO 74 CO 0.17 -0.77 -0.14 0.14 0.04 0.00 0.00 177.00 176.44 2jm3 s VAL 75 N -1.40 3.02 0.26 -0.36 -7.23 0.77 -4.59 120.40 110.87 2jm3 s VAL 75 Ca 0.65 -1.55 -0.05 0.00 -1.81 0.00 0.00 61.98 59.22 2jm3 s VAL 75 Cb -0.35 -2.43 0.26 0.00 0.56 0.00 0.00 36.38 34.42 2jm3 s VAL 75 CO 0.43 0.01 1.93 -0.65 -0.31 0.00 0.00 175.10 176.51 2jm3 h PRO 76 N 3.39 1.25 -1.15 4.82 0.11 -1.87 -3.41 132.00 135.15 2jm3 h PRO 76 Ca -0.48 -0.08 -0.01 0.00 0.11 0.00 0.00 66.00 65.54 2jm3 h PRO 76 Cb 1.18 -0.28 -0.23 0.00 0.11 0.00 0.00 31.00 31.79 2jm3 h PRO 76 CO 0.50 0.83 -0.40 0.34 -0.21 0.00 0.00 178.00 179.05 2jm3 s ASP 77 N -6.13 -1.21 0.14 -2.05 -1.08 -1.26 -4.96 116.67 100.12 2jm3 s ASP 77 Ca -0.13 0.13 0.14 0.00 -0.52 0.00 0.00 52.55 52.17 2jm3 s ASP 77 Cb 0.18 1.86 0.67 0.00 -1.46 0.00 0.00 42.92 44.17 2jm3 s ASP 77 CO 0.81 -0.31 1.44 -0.81 0.52 0.00 0.00 175.17 176.83 2jm3 n PRO 78 N 5.41 0.08 0.00 4.34 -0.04 -1.26 0.68 135.00 144.21 2jm3 n PRO 78 Ca 0.04 0.46 0.12 0.00 -0.04 0.00 0.00 63.50 64.08 2jm3 n PRO 78 Cb 0.53 -1.71 0.16 0.00 -0.04 0.00 0.00 33.50 32.44 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 -1.87 0.00 0.08 0.52 -2.24 -1.26 -4.68 114.28 104.83 2jm3 n THR 79 Ca 0.01 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 2jm3 n THR 79 Cb 0.10 0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 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 -1.33 0.73 -1.57 2.28 0.31 -0.02 -5.10 118.33 113.63 2jm3 n VAL 80 Ca 0.06 0.24 -0.29 0.00 -0.01 0.00 0.00 64.34 64.34 2jm3 n VAL 80 Cb 0.34 -1.14 0.12 0.00 -0.91 0.00 0.00 33.84 32.25 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 3.79 -0.45 4.52 -1.08 0.21 -4.99 116.67 113.11 2jm3 s ASP 81 Ca 0.00 1.02 -0.19 0.00 -0.52 0.00 0.00 52.55 52.87 2jm3 s ASP 81 Cb 0.00 -1.63 0.03 0.00 -1.46 0.00 0.00 42.92 39.87 2jm3 s ASP 81 CO 0.00 -2.38 0.55 -0.54 0.52 0.00 0.00 175.17 173.32 2jm3 s LYS 82 N -5.27 3.15 -0.38 4.34 3.01 -1.26 -4.57 119.74 118.75 2jm3 s LYS 82 Ca 0.63 -0.71 -0.34 0.00 -1.01 0.00 0.00 55.97 54.54 2jm3 s LYS 82 Cb -0.14 -4.01 -0.15 0.00 -1.01 0.00 0.00 37.83 32.52 2jm3 s LYS 82 CO 0.53 -1.01 1.58 0.94 0.51 0.00 0.00 175.35 177.90 2jm3 n GLN 83 N 5.94 0.00 -2.98 1.68 -0.06 -1.26 -4.89 117.38 115.81 2jm3 n GLN 83 Ca -0.06 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 54.54 2jm3 n GLN 83 Cb 0.47 -1.15 -0.05 0.00 -4.06 0.00 0.00 30.24 25.45 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 4.25 4.94 0.00 1.69 1.01 -1.26 -5.02 121.20 126.80 2jm3 s ILE 84 Ca 0.90 1.46 0.01 0.00 0.00 0.00 0.00 60.65 63.02 2jm3 s ILE 84 Cb -1.15 -4.06 -0.00 0.00 0.01 0.00 0.00 42.46 37.26 2jm3 s ILE 84 CO 0.52 0.07 -0.02 -0.75 0.00 0.00 0.00 174.94 174.76 2jm3 s LYS 85 N 2.02 0.16 0.09 2.79 2.47 -1.26 -0.46 119.74 125.54 2jm3 s LYS 85 Ca 0.35 -0.10 0.05 0.00 -1.56 0.00 0.00 55.97 54.71 2jm3 s LYS 85 Cb -0.16 -0.13 -0.04 0.00 -1.46 0.00 0.00 37.83 36.04 2jm3 s LYS 85 CO 0.12 0.03 -0.03 0.42 0.16 0.00 0.00 175.35 176.05 2jm3 s ILE 86 N -0.13 3.85 0.18 5.43 1.01 0.80 -4.95 121.20 127.39 2jm3 s ILE 86 Ca -0.00 -1.05 -0.30 0.00 0.00 0.00 0.00 60.65 59.30 2jm3 s ILE 86 Cb -0.01 -2.82 -0.08 0.00 0.01 0.00 0.00 42.46 39.56 2jm3 s ILE 86 CO -0.00 0.13 1.17 -1.61 0.00 0.00 0.00 174.94 174.62 2jm3 s GLU 87 N -2.26 4.52 -0.04 2.79 0.41 -1.26 -3.45 118.70 119.40 2jm3 s GLU 87 Ca 0.24 1.82 -0.25 0.00 -0.41 0.00 0.00 54.97 56.37 2jm3 s GLU 87 Cb -0.12 -3.26 -0.04 0.00 -1.78 0.00 0.00 34.13 28.94 2jm3 s GLU 87 CO 0.17 -0.05 0.79 -1.17 -0.49 0.00 0.00 175.26 174.51 2jm3 s LEU 88 N -0.21 4.34 0.57 1.80 2.96 -1.26 -4.89 118.68 121.99 2jm3 s LEU 88 Ca 0.52 1.34 -0.19 0.00 -0.22 0.00 0.00 54.13 55.58 2jm3 s LEU 88 Cb -0.31 -3.24 -0.05 0.00 0.50 0.00 0.00 46.19 43.09 2jm3 s LEU 88 CO 0.36 -0.16 1.16 -2.84 -1.32 0.00 0.00 176.35 173.55 2jm3 s PRO 89 N 0.84 3.19 0.21 0.98 0.02 -1.26 -4.96 135.00 134.02 2jm3 s PRO 89 Ca 0.42 1.67 -0.32 0.00 0.02 0.00 0.00 61.00 62.79 2jm3 s PRO 89 Cb -0.19 -1.98 -0.13 0.00 0.02 0.00 0.00 34.50 32.22 2jm3 s PRO 89 CO 0.21 -1.00 1.53 -0.35 -0.33 0.00 0.00 177.00 177.07 2jm3 n PRO 90 N -1.46 2.25 0.00 5.54 -0.04 -1.26 -5.13 135.00 134.90 2jm3 n PRO 90 Ca 0.12 0.81 0.09 0.00 -0.04 0.00 0.00 63.50 64.47 2jm3 n PRO 90 Cb 0.51 -2.54 0.50 0.00 -0.04 0.00 0.00 33.50 31.92 2jm3 n PRO 90 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63