#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 0.11 -0.23 1.61 0.01 -1.26 -4.98 113.70 108.97 2jm3 s SER 2 Ca 0.00 0.25 -0.15 0.00 1.31 0.00 0.00 55.95 57.36 2jm3 s SER 2 Cb 0.00 0.15 0.07 0.00 0.21 0.00 0.00 66.02 66.44 2jm3 s SER 2 CO 0.00 -0.17 0.58 -0.32 0.41 0.00 0.00 173.24 173.74 2jm3 s MET 3 N 1.39 0.61 -0.62 12.44 -2.45 -1.26 -5.09 119.30 124.31 2jm3 s MET 3 Ca -0.07 0.99 -0.26 0.00 -1.25 0.00 0.00 55.69 55.10 2jm3 s MET 3 Cb -0.12 0.14 -0.10 0.00 1.25 0.00 0.00 34.83 36.00 2jm3 s MET 3 CO -0.05 -0.13 2.42 -2.30 1.05 0.00 0.00 175.02 176.00 2jm3 n PRO 4 N 3.89 0.83 -4.27 4.11 -0.02 -1.26 -4.91 135.00 133.37 2jm3 n PRO 4 Ca -0.19 -0.35 -0.19 0.00 -2.02 0.00 0.00 63.50 60.75 2jm3 n PRO 4 Cb 0.57 -3.52 -0.11 0.00 -0.02 0.00 0.00 33.50 30.42 2jm3 n PRO 4 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2jm3 s THR 5 N 13.22 1.48 0.02 3.45 2.01 -1.26 -5.15 115.64 129.41 2jm3 s THR 5 Ca 0.97 -1.79 0.08 0.00 0.31 0.00 0.00 61.69 61.26 2jm3 s THR 5 Cb -0.17 -1.64 -0.02 0.00 0.01 0.00 0.00 72.50 70.68 2jm3 s THR 5 CO 0.19 -0.39 -0.23 0.28 -0.69 0.00 0.00 174.62 173.78 2jm3 s THR 6 N -2.13 1.86 0.23 -0.82 -1.32 -1.26 -5.07 115.64 107.14 2jm3 s THR 6 Ca 0.11 -1.15 -0.30 0.00 -1.21 0.00 0.00 61.69 59.14 2jm3 s THR 6 Cb -0.05 -1.57 -0.10 0.00 -1.51 0.00 0.00 72.50 69.27 2jm3 s THR 6 CO 0.04 0.39 1.42 0.00 -2.21 0.00 0.00 174.62 174.27 2jm3 n GLY 8 N 2.34 -0.82 3.67 0.00 0.00 0.10 -4.80 105.19 105.70 2jm3 n GLY 8 Ca 0.07 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 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 -2.18 2.86 -1.66 1.61 2.19 -1.26 -4.89 117.98 114.64 2jm3 s PHE 9 Ca 0.39 0.95 0.22 0.00 0.33 0.00 0.00 56.93 58.81 2jm3 s PHE 9 Cb 0.21 -3.55 1.18 0.00 -1.31 0.00 0.00 43.02 39.54 2jm3 s PHE 9 CO 0.40 -1.96 1.69 -0.35 1.83 0.00 0.00 175.22 176.83 2jm3 n PRO 10 N 5.97 0.46 -2.15 10.12 -0.04 -1.26 -2.88 135.00 145.23 2jm3 n PRO 10 Ca 0.13 0.05 -0.05 0.00 -0.04 0.00 0.00 63.50 63.59 2jm3 n PRO 10 Cb 0.45 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.17 2.38 -4.54 3.54 2.85 -1.26 -4.98 115.26 112.07 2jm3 n ASN 11 Ca 0.13 -2.68 -0.42 0.00 -0.11 0.00 0.00 54.58 51.50 2jm3 n ASN 11 Cb 0.13 -0.42 -0.02 0.00 1.24 0.00 0.00 39.78 40.71 2jm3 n ASN 11 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2jm3 n LYS 13 N 8.38 1.22 0.04 0.00 0.00 -1.26 -3.86 118.16 122.68 2jm3 n LYS 13 Ca 0.34 -0.33 -0.22 0.00 -0.00 0.00 0.00 58.31 58.10 2jm3 n LYS 13 Cb 0.50 -1.33 -0.14 0.00 -0.00 0.00 0.00 35.03 34.06 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 0.68 0.59 -0.41 5.58 0.04 -1.97 -2.39 116.94 119.06 2jm3 h PHE 14 Ca 0.00 -0.43 -0.03 0.00 2.80 0.00 0.00 57.97 60.31 2jm3 h PHE 14 Cb 0.15 -0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.25 2jm3 h PHE 14 CO 0.03 1.64 0.13 0.07 -0.60 0.00 0.00 178.31 179.58 2jm3 h ARG 15 N -0.06 0.59 0.00 1.51 0.11 -1.99 -2.35 114.38 112.19 2jm3 h ARG 15 Ca -0.34 -0.09 0.00 0.00 0.10 0.00 0.00 59.98 59.65 2jm3 h ARG 15 Cb 1.96 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 32.93 2jm3 h ARG 15 CO 0.12 0.52 -0.68 0.66 0.10 0.00 0.00 179.97 180.70 2jm3 h SER 16 N 0.58 0.00 -0.61 0.08 4.64 -1.76 -2.06 113.55 114.43 2jm3 h SER 16 Ca 0.14 -0.01 0.12 0.00 -0.47 0.00 0.00 61.79 61.56 2jm3 h SER 16 Cb 0.18 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.18 2jm3 h SER 16 CO -0.01 0.01 0.12 -0.09 -0.87 0.00 0.00 176.83 175.99 2jm3 h ARG 17 N 0.00 0.24 -0.44 4.77 2.43 -0.87 -0.76 114.38 119.75 2jm3 h ARG 17 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2jm3 h ARG 17 Cb 0.98 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 2jm3 h ARG 17 CO 0.00 0.16 0.00 0.66 -1.51 0.00 0.00 179.97 179.28 2jm3 n TYR 18 N -5.14 0.59 -3.73 2.20 4.02 -1.25 -4.96 117.16 108.88 2jm3 n TYR 18 Ca 0.09 -0.50 -0.24 0.00 -0.01 0.00 0.00 57.90 57.24 2jm3 n TYR 18 Cb 0.34 -0.02 0.02 0.00 -0.02 0.00 0.00 39.34 39.66 2jm3 n TYR 18 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2jm3 n ARG 19 N 0.79 -3.43 0.00 -0.72 5.12 -0.29 -4.96 116.66 113.17 2jm3 n ARG 19 Ca 0.15 0.54 0.00 0.00 -1.93 0.00 0.00 57.85 56.61 2jm3 n ARG 19 Cb 0.48 -4.79 0.00 0.00 -1.16 0.00 0.00 32.46 26.99 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 -1.68 0.21 2.40 -0.13 0.00 -0.78 -4.95 105.19 100.26 2jm3 n GLY 20 Ca -0.24 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.22 -1.31 -0.19 0.99 4.77 -1.23 -4.81 117.00 115.00 2jm3 n LEU 21 Ca 0.00 0.26 0.02 0.00 -0.03 0.00 0.00 56.01 56.26 2jm3 n LEU 21 Cb 0.00 -2.28 0.03 0.00 -2.33 0.00 0.00 43.42 38.84 2jm3 n LEU 21 CO 0.00 -0.61 0.36 1.21 -1.33 0.00 0.00 177.39 177.02 2jm3 n GLU 22 N -2.53 0.78 0.21 3.23 0.00 -1.26 -4.79 120.64 116.28 2jm3 n GLU 22 Ca -0.16 -1.32 0.15 0.00 0.00 0.00 0.00 57.16 55.83 2jm3 n GLU 22 Cb 0.55 -0.81 0.72 0.00 0.00 0.00 0.00 31.44 31.89 2jm3 n GLU 22 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.13 176.69 2jm3 h ASP 23 N 0.00 0.00 -6.13 4.31 5.19 -1.98 -3.45 116.42 114.36 2jm3 h ASP 23 Ca 0.00 0.00 -0.44 0.00 -0.62 0.00 0.00 57.03 55.97 2jm3 h ASP 23 Cb 1.06 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.60 2jm3 h ASP 23 CO 0.00 0.00 -0.75 -3.20 -3.12 0.00 0.00 179.24 172.17 2jm3 n ASN 24 N -2.55 -4.62 -4.82 6.45 5.15 -1.26 -4.96 115.26 108.65 2jm3 n ASN 24 Ca -0.01 -0.72 -0.32 0.00 -0.60 0.00 0.00 54.58 52.94 2jm3 n ASN 24 Cb 0.13 -4.26 0.01 0.00 -0.53 0.00 0.00 39.78 35.13 2jm3 n ASN 24 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 2jm3 s ARG 25 N -6.40 3.42 -0.29 1.20 0.52 -1.26 -4.97 118.95 111.16 2jm3 s ARG 25 Ca 0.53 1.04 -0.29 0.00 -0.52 0.00 0.00 55.73 56.49 2jm3 s ARG 25 Cb -0.25 -2.05 -0.01 0.00 0.52 0.00 0.00 34.95 33.15 2jm3 s ARG 25 CO 0.80 -0.72 1.49 -1.58 0.02 0.00 0.00 175.30 175.30 2jm3 s HIS 26 N -2.70 2.33 -0.35 -0.53 2.46 -1.26 -4.91 115.29 110.34 2jm3 s HIS 26 Ca 0.60 0.69 -0.18 0.00 0.47 0.00 0.00 55.06 56.63 2jm3 s HIS 26 Cb -0.14 -4.02 -0.00 0.00 -0.13 0.00 0.00 32.58 28.29 2jm3 s HIS 26 CO 0.41 -2.35 0.53 -0.06 -2.47 0.00 0.00 174.74 170.81 2jm3 s PHE 27 N 5.07 3.18 0.26 3.88 0.08 -1.26 -2.05 117.98 127.13 2jm3 s PHE 27 Ca 0.65 0.22 -0.30 0.00 0.12 0.00 0.00 56.93 57.62 2jm3 s PHE 27 Cb -0.20 -2.96 -0.09 0.00 -0.57 0.00 0.00 43.02 39.20 2jm3 s PHE 27 CO 0.28 -0.55 1.01 0.71 -0.10 0.00 0.00 175.22 176.57 2jm3 s TYR 28 N 2.45 3.82 -2.06 0.36 1.51 0.17 -4.82 117.35 118.78 2jm3 s TYR 28 Ca 0.20 1.83 0.27 0.00 -1.01 0.00 0.00 57.07 58.35 2jm3 s TYR 28 Cb -0.15 -3.11 1.51 0.00 -0.11 0.00 0.00 41.96 40.10 2jm3 s TYR 28 CO 0.13 0.04 1.98 -2.13 -1.11 0.00 0.00 175.55 174.47 2jm3 n ARG 29 N 1.36 1.09 -1.75 -0.62 3.00 -1.26 -2.60 116.66 115.88 2jm3 n ARG 29 Ca -0.02 -0.14 -0.01 0.00 -0.00 0.00 0.00 57.85 57.69 2jm3 n ARG 29 Cb 0.46 -1.42 -0.00 0.00 0.00 0.00 0.00 32.46 31.49 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 -0.76 -7.80 -1.59 5.15 5.41 -1.26 -4.85 119.36 113.66 2jm3 n ILE 30 Ca 0.20 1.56 -0.58 0.00 1.00 0.00 0.00 62.75 64.92 2jm3 n ILE 30 Cb 0.13 -4.66 -0.08 0.00 -0.71 0.00 0.00 39.64 34.32 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 0.91 0.78 -0.15 0.38 -0.02 -1.26 -4.81 135.00 130.81 2jm3 n PRO 31 Ca -0.04 0.26 0.09 0.00 -2.02 0.00 0.00 63.50 61.80 2jm3 n PRO 31 Cb 0.07 -1.99 0.17 0.00 -0.02 0.00 0.00 33.50 31.73 2jm3 n PRO 31 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2jm3 n LYS 32 N 6.13 2.23 -3.62 -0.52 2.85 -1.26 -3.71 118.16 120.26 2jm3 n LYS 32 Ca 0.35 -2.05 -0.18 0.00 -1.05 0.00 0.00 58.31 55.38 2jm3 n LYS 32 Cb 0.09 -1.41 -0.15 0.00 -0.65 0.00 0.00 35.03 32.91 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 -1.28 0.08 0.78 -1.58 3.52 -1.26 -3.51 118.95 115.70 2jm3 s ARG 33 Ca 0.31 0.43 -0.11 0.00 -0.13 0.00 0.00 55.73 56.23 2jm3 s ARG 33 Cb 0.18 -0.63 0.06 0.00 -1.56 0.00 0.00 34.95 33.00 2jm3 s ARG 33 CO 0.25 -0.43 1.09 -2.14 -0.81 0.00 0.00 175.30 173.27 2jm3 s PRO 34 N 2.30 2.23 0.40 5.12 0.02 -1.26 -4.93 135.00 138.88 2jm3 s PRO 34 Ca 0.04 0.71 0.19 0.00 0.02 0.00 0.00 61.00 61.96 2jm3 s PRO 34 Cb -0.13 -1.93 0.81 0.00 0.02 0.00 0.00 34.50 33.26 2jm3 s PRO 34 CO -0.08 -1.53 1.80 -0.07 -0.33 0.00 0.00 177.00 176.79 2jm3 h LEU 35 N -1.03 0.00 -0.30 -5.54 3.38 -1.90 -1.40 115.31 108.53 2jm3 h LEU 35 Ca -0.46 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.36 2jm3 h LEU 35 Cb 1.26 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.00 2jm3 h LEU 35 CO 0.59 0.33 -0.39 0.40 0.09 0.00 0.00 178.44 179.46 2jm3 h ILE 36 N 0.00 1.29 -0.87 1.22 1.08 -1.95 0.12 117.51 118.39 2jm3 h ILE 36 Ca -0.00 -1.57 -0.02 0.00 -0.39 0.00 0.00 64.86 62.87 2jm3 h ILE 36 Cb 0.78 1.60 -0.04 0.00 -3.07 0.00 0.00 36.82 36.08 2jm3 h ILE 36 CO 0.04 0.51 0.45 0.25 -0.69 0.00 0.00 178.15 178.71 2jm3 h LEU 37 N 0.54 1.12 -1.08 1.44 5.85 -1.84 0.11 115.31 121.45 2jm3 h LEU 37 Ca 0.04 -0.12 0.05 0.00 0.84 0.00 0.00 57.88 58.68 2jm3 h LEU 37 Cb 0.98 -0.29 -0.06 0.00 0.37 0.00 0.00 40.66 41.67 2jm3 h LEU 37 CO 0.09 0.92 0.62 -0.09 -0.34 0.00 0.00 178.44 179.64 2jm3 h ARG 38 N 1.23 1.13 -0.47 1.25 2.43 -1.02 -0.90 114.38 118.03 2jm3 h ARG 38 Ca 0.30 -0.07 -0.13 0.00 -0.81 0.00 0.00 59.98 59.27 2jm3 h ARG 38 Cb 0.07 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.35 2jm3 h ARG 38 CO -0.04 0.75 -0.23 0.37 -1.51 0.00 0.00 179.97 179.30 2jm3 h GLN 39 N 1.17 0.97 0.00 0.20 -0.00 0.06 -2.73 115.11 114.78 2jm3 h GLN 39 Ca 0.39 -0.42 -0.03 0.00 -0.00 0.00 0.00 58.65 58.59 2jm3 h GLN 39 Cb 0.07 -0.03 -0.00 0.00 0.00 0.00 0.00 27.48 27.51 2jm3 h GLN 39 CO -0.13 1.09 -0.16 0.00 0.00 0.00 0.00 178.83 179.63 2jm3 h ARG 40 N 0.83 0.00 -0.09 1.69 2.47 -0.07 -2.24 114.38 116.97 2jm3 h ARG 40 Ca 0.10 0.00 -0.06 0.00 -1.26 0.00 0.00 59.98 58.76 2jm3 h ARG 40 Cb 0.80 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.11 2jm3 h ARG 40 CO 0.07 0.16 -0.22 -1.49 0.56 0.00 0.00 179.97 179.05 2jm3 h TRP 41 N 0.00 0.17 0.00 3.04 4.06 -0.86 -2.70 115.95 119.65 2jm3 h TRP 41 Ca -0.00 -0.02 -0.02 0.00 2.06 0.00 0.00 58.89 60.90 2jm3 h TRP 41 Cb 0.41 -0.05 -0.00 0.00 -1.00 0.00 0.00 29.16 28.52 2jm3 h TRP 41 CO 0.00 0.38 -0.10 -0.07 -3.56 0.00 0.00 178.44 175.09 2jm3 h LEU 42 N 0.15 0.00 -0.84 -4.49 3.38 -1.43 -2.98 115.31 109.10 2jm3 h LEU 42 Ca 0.03 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.18 2jm3 h LEU 42 Cb 0.48 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.12 2jm3 h LEU 42 CO 0.03 0.10 0.35 0.74 0.09 0.00 0.00 178.44 179.75 2jm3 h THR 43 N 0.00 0.57 -0.07 0.22 2.02 -1.61 0.13 112.91 114.16 2jm3 h THR 43 Ca -0.00 -0.15 -0.19 0.00 0.77 0.00 0.00 66.41 66.84 2jm3 h THR 43 Cb 0.23 0.09 0.01 0.00 -1.74 0.00 0.00 68.15 66.74 2jm3 h THR 43 CO 0.01 0.08 -0.68 0.00 0.37 0.00 0.00 175.52 175.30 2jm3 h ALA 44 N 1.64 0.18 0.00 6.16 0.00 -1.73 -3.27 119.26 122.23 2jm3 h ALA 44 Ca 0.49 -0.58 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 2jm3 h ALA 44 Cb 0.85 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2jm3 h ALA 44 CO -0.47 0.49 -0.33 -0.84 0.00 0.00 0.00 179.25 178.10 2jm3 h ILE 45 N 0.21 0.57 -0.93 0.00 3.07 -1.56 -3.44 117.51 115.44 2jm3 h ILE 45 Ca -0.07 -1.79 -0.17 0.00 1.55 0.00 0.00 64.86 64.38 2jm3 h ILE 45 Cb 1.34 2.27 -0.03 0.00 -0.27 0.00 0.00 36.82 40.13 2jm3 h ILE 45 CO 0.14 0.32 -0.20 0.61 -1.05 0.00 0.00 178.15 177.98 2jm3 n GLY 46 N 1.15 0.35 3.76 0.16 0.00 0.41 -4.66 105.19 106.36 2jm3 n GLY 46 Ca 0.03 -0.58 -0.29 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.86 2.18 0.15 1.61 0.52 -1.22 -5.08 118.95 113.25 2jm3 s ARG 47 Ca 0.00 -2.12 0.00 0.00 -0.52 0.00 0.00 55.73 53.09 2jm3 s ARG 47 Cb 0.00 -1.79 -0.00 0.00 0.52 0.00 0.00 34.95 33.68 2jm3 s ARG 47 CO 0.00 -0.30 0.00 0.25 0.02 0.00 0.00 175.30 175.28 2jm3 n THR 48 N -1.31 0.00 0.27 0.02 -2.24 -1.26 -4.76 114.28 105.00 2jm3 n THR 48 Ca -0.08 -0.71 0.15 0.00 -2.27 0.00 0.00 64.05 61.14 2jm3 n THR 48 Cb 0.66 0.15 0.74 0.00 -2.10 0.00 0.00 70.33 69.77 2jm3 n THR 48 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2jm3 h GLU 49 N 0.00 0.00 -0.00 -0.78 5.08 -1.99 0.02 114.58 116.90 2jm3 h GLU 49 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2jm3 h GLU 49 Cb 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2jm3 h GLU 49 CO 0.20 0.10 -0.27 0.39 -1.00 0.00 0.00 179.01 178.43 2jm3 n GLU 50 N -3.39 0.58 -0.38 2.33 4.71 -1.26 -3.91 120.64 119.32 2jm3 n GLU 50 Ca -0.01 -0.30 0.07 0.00 -0.01 0.00 0.00 57.16 56.90 2jm3 n GLU 50 Cb 0.27 -1.49 0.11 0.00 -1.01 0.00 0.00 31.44 29.32 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 -0.95 1.39 -4.09 2.62 -2.24 -0.05 -5.06 114.28 105.91 2jm3 n THR 51 Ca 0.11 -1.87 -0.12 0.00 -2.27 0.00 0.00 64.05 59.90 2jm3 n THR 51 Cb 0.33 0.02 -0.06 0.00 -2.10 0.00 0.00 70.33 68.52 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 -2.10 0.00 0.00 2.28 0.11 -0.95 -4.64 120.40 115.10 2jm3 s VAL 52 Ca 0.26 -1.63 0.00 0.00 -2.93 0.00 0.00 61.98 57.68 2jm3 s VAL 52 Cb 0.25 -2.44 0.00 0.00 -1.53 0.00 0.00 36.38 32.66 2jm3 s VAL 52 CO -0.01 0.00 0.00 0.52 -3.33 0.00 0.00 175.10 172.28 2jm3 n VAL 53 N -0.43 0.00 0.02 2.04 0.31 -1.26 -4.50 118.33 114.51 2jm3 n VAL 53 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.33 2jm3 n VAL 53 Cb 0.63 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 0.28 -1.32 0.00 0.00 176.83 175.79 2jm3 h SER 54 N 0.00 -0.05 -0.64 4.52 0.02 -1.92 -3.29 113.55 112.18 2jm3 h SER 54 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jm3 h SER 54 Cb 0.00 0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2jm3 h SER 54 CO 0.00 -0.03 0.00 1.67 -1.14 0.00 0.00 176.83 177.33 2jm3 n GLN 55 N -2.17 2.89 -4.98 3.45 7.27 -1.26 -4.89 117.38 117.69 2jm3 n GLN 55 Ca -0.01 -2.48 -0.32 0.00 0.07 0.00 0.00 57.00 54.26 2jm3 n GLN 55 Cb 0.02 -1.63 -0.15 0.00 2.41 0.00 0.00 30.24 30.88 2jm3 n GLN 55 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 2jm3 s LEU 56 N -1.26 2.43 -0.01 1.69 2.96 -1.24 -4.90 118.68 118.36 2jm3 s LEU 56 Ca 0.45 -0.43 0.04 0.00 -0.22 0.00 0.00 54.13 53.98 2jm3 s LEU 56 Cb 0.26 -1.52 -0.01 0.00 0.50 0.00 0.00 46.19 45.42 2jm3 s LEU 56 CO 0.28 0.17 -0.12 -0.13 -1.32 0.00 0.00 176.35 175.22 2jm3 s ARG 57 N 0.29 0.99 -0.16 1.98 0.52 -1.26 -4.29 118.95 117.02 2jm3 s ARG 57 Ca -0.13 -0.47 -0.04 0.00 -0.52 0.00 0.00 55.73 54.57 2jm3 s ARG 57 Cb -0.17 -0.96 -0.03 0.00 0.52 0.00 0.00 34.95 34.32 2jm3 s ARG 57 CO 0.07 0.26 -0.03 0.42 0.02 0.00 0.00 175.30 176.04 2jm3 s ILE 58 N -0.34 3.91 0.54 1.52 -1.09 -1.07 0.03 121.20 124.70 2jm3 s ILE 58 Ca 0.04 -0.35 -0.08 0.00 -2.23 0.00 0.00 60.65 58.04 2jm3 s ILE 58 Cb -0.05 -2.72 -0.04 0.00 -1.58 0.00 0.00 42.46 38.07 2jm3 s ILE 58 CO -0.00 0.49 0.90 0.00 -1.23 0.00 0.00 174.94 175.09 2jm3 n SER 60 N -2.46 0.00 -0.05 0.00 3.41 -0.87 -2.88 113.62 110.77 2jm3 n SER 60 Ca 0.03 -0.21 0.04 0.00 -0.26 0.00 0.00 58.87 58.47 2jm3 n SER 60 Cb 0.55 -0.17 0.21 0.00 -0.26 0.00 0.00 64.21 64.54 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 -1.17 2.54 -0.76 7.33 0.00 -1.26 -3.04 120.51 124.14 2jm3 n ALA 61 Ca 0.11 -0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.53 2jm3 n ALA 61 Cb 0.11 -1.11 0.17 0.00 0.00 0.00 0.00 19.45 18.62 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 -0.52 0.43 -4.82 0.00 -0.00 -1.14 -4.68 115.22 104.50 2jm3 n HIS 62 Ca 0.06 -0.81 -0.25 0.00 -0.00 0.00 0.00 57.72 56.72 2jm3 n HIS 62 Cb 0.05 -0.18 -0.15 0.00 -0.00 0.00 0.00 29.99 29.70 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 -2.31 1.58 -0.02 4.41 0.40 -1.17 -0.66 117.98 120.20 2jm3 s PHE 63 Ca 0.30 -0.30 -0.30 0.00 -0.60 0.00 0.00 56.93 56.03 2jm3 s PHE 63 Cb 0.24 -1.01 -0.06 0.00 0.51 0.00 0.00 43.02 42.70 2jm3 s PHE 63 CO 0.07 -0.02 1.67 -2.00 0.70 0.00 0.00 175.22 175.64 2jm3 s GLU 64 N -0.48 4.19 0.00 0.44 -6.30 -1.26 -2.98 118.70 112.31 2jm3 s GLU 64 Ca 0.07 2.24 0.00 0.00 -2.50 0.00 0.00 54.97 54.77 2jm3 s GLU 64 Cb -0.07 -3.91 0.00 0.00 0.00 0.00 0.00 34.13 30.15 2jm3 s GLU 64 CO -0.00 -0.82 0.00 0.41 0.02 0.00 0.00 175.26 174.86 2jm3 n GLY 65 N 4.11 2.00 0.00 -1.50 0.00 -1.26 -4.48 105.19 104.07 2jm3 n GLY 65 Ca 0.17 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 1.15 3.80 -0.02 0.00 -1.16 -5.11 105.19 103.86 2jm3 n GLY 66 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 3.09 0.28 1.61 4.04 -1.26 -4.76 118.70 121.70 2jm3 s GLU 67 Ca 0.00 -0.50 -0.29 0.00 0.04 0.00 0.00 54.97 54.21 2jm3 s GLU 67 Cb 0.00 -2.87 -0.09 0.00 0.02 0.00 0.00 34.13 31.19 2jm3 s GLU 67 CO 0.00 0.63 1.05 0.21 -1.84 0.00 0.00 175.26 175.32 2jm3 s LYS 68 N -1.91 4.66 -0.04 -4.83 2.20 -1.26 -4.95 119.74 113.62 2jm3 s LYS 68 Ca 0.25 1.70 -0.01 0.00 -0.36 0.00 0.00 55.97 57.55 2jm3 s LYS 68 Cb -0.12 -3.16 -0.02 0.00 -1.51 0.00 0.00 37.83 33.02 2jm3 s LYS 68 CO 0.16 0.26 -0.04 1.63 -0.36 0.00 0.00 175.35 177.01 2jm3 n LYS 69 N 1.16 0.08 0.00 4.03 4.76 -1.26 -5.07 118.16 121.87 2jm3 n LYS 69 Ca -0.01 0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 2jm3 n LYS 69 Cb 0.46 -0.89 0.00 0.00 -1.84 0.00 0.00 35.03 32.76 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 -2.83 0.00 -1.20 1.97 -0.58 -1.26 -5.00 120.64 111.74 2jm3 n GLU 70 Ca -0.07 0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.46 2jm3 n GLU 70 Cb 0.56 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.40 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 0.00 4.13 3.22 0.62 0.00 -1.26 -4.86 105.19 107.04 2jm3 n GLY 71 Ca 0.00 -1.50 -0.33 0.00 0.00 0.00 0.00 46.02 44.19 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 0.42 3.53 -0.07 1.61 1.11 -1.26 -0.06 116.67 121.95 2jm3 s ASP 72 Ca 0.47 -0.52 -0.01 0.00 0.18 0.00 0.00 52.55 52.67 2jm3 s ASP 72 Cb 0.32 -1.55 -0.03 0.00 1.07 0.00 0.00 42.92 42.73 2jm3 s ASP 72 CO -0.12 0.05 0.01 -0.63 1.18 0.00 0.00 175.17 175.66 2jm3 s ILE 73 N 1.00 4.32 0.69 0.77 1.01 0.16 -4.97 121.20 124.17 2jm3 s ILE 73 Ca -0.02 -0.32 -0.15 0.00 0.00 0.00 0.00 60.65 60.16 2jm3 s ILE 73 Cb -0.15 -2.84 0.02 0.00 0.01 0.00 0.00 42.46 39.50 2jm3 s ILE 73 CO -0.04 0.55 1.15 -2.16 0.00 0.00 0.00 174.94 174.45 2jm3 s PRO 74 N -1.05 2.52 0.20 2.79 0.04 -1.26 -3.93 135.00 134.31 2jm3 s PRO 74 Ca 0.15 1.56 0.11 0.00 0.04 0.00 0.00 61.00 62.85 2jm3 s PRO 74 Cb -0.11 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 2jm3 s PRO 74 CO 0.04 -1.50 -0.22 0.14 0.04 0.00 0.00 177.00 175.51 2jm3 s VAL 75 N -2.17 2.21 0.30 -0.36 -7.23 0.16 -4.51 120.40 108.79 2jm3 s VAL 75 Ca 0.70 -2.07 0.19 0.00 -1.81 0.00 0.00 61.98 59.00 2jm3 s VAL 75 Cb -0.24 -2.07 0.16 0.00 0.56 0.00 0.00 36.38 34.79 2jm3 s VAL 75 CO 0.43 -0.23 1.85 1.55 -0.31 0.00 0.00 175.10 178.39 2jm3 h PRO 76 N 3.05 0.00 -0.62 4.82 0.13 -1.87 -3.41 132.00 134.09 2jm3 h PRO 76 Ca -0.44 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.76 2jm3 h PRO 76 Cb 1.22 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.16 2jm3 h PRO 76 CO 0.51 0.30 -0.25 0.34 -0.23 0.00 0.00 178.00 178.67 2jm3 s ASP 77 N -6.52 -0.98 0.00 1.44 -1.08 -1.26 -4.83 116.67 103.44 2jm3 s ASP 77 Ca -0.02 -0.24 0.08 0.00 -0.52 0.00 0.00 52.55 51.85 2jm3 s ASP 77 Cb 0.13 1.39 0.36 0.00 -1.46 0.00 0.00 42.92 43.34 2jm3 s ASP 77 CO 0.67 -0.14 1.20 -0.81 0.52 0.00 0.00 175.17 176.62 2jm3 n PRO 78 N 4.55 0.04 0.10 4.34 -0.04 -1.26 -0.20 135.00 142.52 2jm3 n PRO 78 Ca 0.08 0.31 -0.23 0.00 -0.04 0.00 0.00 63.50 63.62 2jm3 n PRO 78 Cb 0.58 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.40 2jm3 n PRO 78 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 2jm3 h THR 79 N 0.00 1.32 0.00 0.52 2.02 -1.95 -3.41 112.91 111.40 2jm3 h THR 79 Ca 0.00 -2.51 -0.36 0.00 0.77 0.00 0.00 66.41 64.30 2jm3 h THR 79 Cb 0.11 2.86 -0.06 0.00 -1.74 0.00 0.00 68.15 69.32 2jm3 h THR 79 CO 0.00 0.75 -2.28 1.33 0.37 0.00 0.00 175.52 175.69 2jm3 n VAL 80 N -3.84 1.27 -2.06 3.16 0.24 -0.69 -5.00 118.33 111.40 2jm3 n VAL 80 Ca -0.15 -0.40 -0.29 0.00 -2.04 0.00 0.00 64.34 61.46 2jm3 n VAL 80 Cb 0.98 -1.56 0.03 0.00 -1.47 0.00 0.00 33.84 31.83 2jm3 n VAL 80 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2jm3 s ASP 81 N -6.63 5.68 -0.54 -1.34 -1.08 0.72 -5.01 116.67 108.46 2jm3 s ASP 81 Ca -0.31 1.06 -0.19 0.00 -0.52 0.00 0.00 52.55 52.59 2jm3 s ASP 81 Cb 0.10 -1.99 0.08 0.00 -1.46 0.00 0.00 42.92 39.65 2jm3 s ASP 81 CO 0.46 -1.14 0.66 -0.54 0.52 0.00 0.00 175.17 175.13 2jm3 s LYS 82 N -5.19 3.09 -0.20 4.34 1.02 -1.26 -4.52 119.74 117.01 2jm3 s LYS 82 Ca 0.56 -1.06 -0.18 0.00 0.02 0.00 0.00 55.97 55.31 2jm3 s LYS 82 Cb -0.11 -4.16 -0.08 0.00 -0.52 0.00 0.00 37.83 32.96 2jm3 s LYS 82 CO 0.50 -1.35 0.80 0.94 -0.92 0.00 0.00 175.35 175.32 2jm3 n GLN 83 N 6.23 0.00 -2.51 1.68 -0.06 -1.26 -4.79 117.38 116.67 2jm3 n GLN 83 Ca -0.08 0.00 -0.41 0.00 -2.00 0.00 0.00 57.00 54.52 2jm3 n GLN 83 Cb 0.44 -0.61 -0.03 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 2.04 3.70 0.07 1.69 1.01 -1.25 -4.98 121.20 123.47 2jm3 s ILE 84 Ca 0.47 0.32 0.05 0.00 0.00 0.00 0.00 60.65 61.49 2jm3 s ILE 84 Cb -0.61 -4.85 -0.04 0.00 0.01 0.00 0.00 42.46 36.97 2jm3 s ILE 84 CO 0.29 -1.79 -0.05 -1.59 0.00 0.00 0.00 174.94 171.79 2jm3 s LYS 85 N 5.79 2.42 -0.11 2.79 -2.85 -1.26 -0.66 119.74 125.86 2jm3 s LYS 85 Ca 0.38 -0.86 -0.03 0.00 -1.00 0.00 0.00 55.97 54.46 2jm3 s LYS 85 Cb -0.08 -2.46 -0.03 0.00 -2.06 0.00 0.00 37.83 33.20 2jm3 s LYS 85 CO 0.14 0.55 -0.01 0.42 0.10 0.00 0.00 175.35 176.55 2jm3 s ILE 86 N -1.18 4.23 -0.73 3.79 1.01 0.91 -4.96 121.20 124.27 2jm3 s ILE 86 Ca 0.22 -0.26 -0.26 0.00 0.00 0.00 0.00 60.65 60.34 2jm3 s ILE 86 Cb -0.11 -2.81 0.04 0.00 0.01 0.00 0.00 42.46 39.59 2jm3 s ILE 86 CO 0.14 0.57 1.22 -1.83 0.00 0.00 0.00 174.94 175.03 2jm3 s GLU 87 N -0.48 3.18 -0.14 2.79 1.03 -1.26 -4.57 118.70 119.25 2jm3 s GLU 87 Ca 0.08 -0.37 -0.29 0.00 0.03 0.00 0.00 54.97 54.42 2jm3 s GLU 87 Cb -0.12 -4.21 -0.01 0.00 -0.80 0.00 0.00 34.13 29.00 2jm3 s GLU 87 CO 0.02 -2.08 1.01 -1.17 -1.33 0.00 0.00 175.26 171.71 2jm3 s LEU 88 N 5.39 4.21 0.54 1.83 2.96 -1.26 -5.04 118.68 127.30 2jm3 s LEU 88 Ca 0.33 1.48 -0.13 0.00 -0.22 0.00 0.00 54.13 55.59 2jm3 s LEU 88 Cb -0.10 -3.54 -0.06 0.00 0.50 0.00 0.00 46.19 42.99 2jm3 s LEU 88 CO 0.14 -0.50 0.96 -2.84 -1.32 0.00 0.00 176.35 172.79 2jm3 s PRO 89 N 2.31 3.75 0.38 0.98 0.02 -1.26 -4.98 135.00 136.21 2jm3 s PRO 89 Ca 0.47 0.76 0.11 0.00 0.02 0.00 0.00 61.00 62.35 2jm3 s PRO 89 Cb -0.17 -2.16 0.88 0.00 0.02 0.00 0.00 34.50 33.07 2jm3 s PRO 89 CO 0.15 -0.37 1.91 -1.35 -0.33 0.00 0.00 177.00 177.02 2jm3 h PRO 90 N 0.38 0.59 0.00 5.54 0.11 -2.07 -3.54 132.00 133.01 2jm3 h PRO 90 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2jm3 h PRO 90 Cb 1.19 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2jm3 h PRO 90 CO 0.62 0.39 0.00 0.36 -0.21 0.00 0.00 178.00 179.16