#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2od4 n PHE 2 N 0.00 0.00 -0.17 1.61 3.72 -1.26 -5.11 117.46 116.24 2od4 n PHE 2 Ca 0.00 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.31 2od4 n PHE 2 Cb 0.00 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.55 2od4 n PHE 2 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2od4 h ALA 3 N 0.00 0.66 -0.93 4.37 0.00 -2.08 -3.48 119.26 117.80 2od4 h ALA 3 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2od4 h ALA 3 Cb 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2od4 h ALA 3 CO 0.00 0.34 0.00 0.41 0.00 0.00 0.00 179.25 180.00 2od4 n GLY 4 N -0.62 0.82 3.77 0.00 0.00 -1.26 -4.72 105.19 103.18 2od4 n GLY 4 Ca 0.01 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 44.84 2od4 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2od4 s SER 5 N -4.00 6.26 0.02 1.61 0.01 -1.26 -4.95 113.70 111.38 2od4 s SER 5 Ca 0.00 2.59 -0.30 0.00 1.31 0.00 0.00 55.95 59.55 2od4 s SER 5 Cb 0.00 -2.63 -0.06 0.00 0.21 0.00 0.00 66.02 63.54 2od4 s SER 5 CO 0.00 -0.88 1.44 -0.63 0.41 0.00 0.00 173.24 173.58 2od4 s ILE 6 N -1.31 3.56 0.54 1.44 1.01 -1.26 -4.92 121.20 120.27 2od4 s ILE 6 Ca 0.58 0.98 -0.19 0.00 0.00 0.00 0.00 60.65 62.03 2od4 s ILE 6 Cb -0.36 -3.63 -0.06 0.00 0.01 0.00 0.00 42.46 38.42 2od4 s ILE 6 CO 0.46 0.00 1.08 -2.16 0.00 0.00 0.00 174.94 174.32 2od4 s PRO 7 N 2.32 3.47 0.00 2.79 0.04 -1.26 -4.56 135.00 137.80 2od4 s PRO 7 Ca 0.66 1.40 0.00 0.00 0.04 0.00 0.00 61.00 63.10 2od4 s PRO 7 Cb -0.33 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.17 2od4 s PRO 7 CO 0.28 -0.71 0.00 0.98 0.04 0.00 0.00 177.00 177.58 2od4 n TYR 9 N -1.43 0.00 -4.72 0.56 4.19 -0.74 -4.83 117.16 110.19 2od4 n TYR 9 Ca 0.10 0.00 -0.25 0.00 3.31 0.00 0.00 57.90 61.06 2od4 n TYR 9 Cb 0.52 0.00 -0.16 0.00 0.49 0.00 0.00 39.34 40.19 2od4 n TYR 9 CO 0.00 0.00 0.00 0.42 0.91 0.00 0.00 176.86 178.19 2od4 s ILE 10 N 0.00 1.27 -0.11 2.97 1.09 -0.24 -0.23 121.20 125.95 2od4 s ILE 10 Ca 0.00 -0.62 0.01 0.00 -1.10 0.00 0.00 60.65 58.94 2od4 s ILE 10 Cb 0.00 -1.10 -0.02 0.00 -1.06 0.00 0.00 42.46 40.29 2od4 s ILE 10 CO 0.00 0.37 -0.14 -0.60 -0.10 0.00 0.00 174.94 174.47 2od4 s ARG 11 N 0.11 3.16 -0.14 2.79 3.52 -0.04 -1.44 118.95 126.91 2od4 s ARG 11 Ca -0.04 -0.70 0.01 0.00 -0.13 0.00 0.00 55.73 54.87 2od4 s ARG 11 Cb -0.11 -2.55 0.02 0.00 -1.56 0.00 0.00 34.95 30.75 2od4 s ARG 11 CO 0.02 0.31 -0.16 0.08 -0.81 0.00 0.00 175.30 174.73 2od4 s VAL 12 N 0.09 1.69 -0.24 7.11 1.01 0.09 -0.18 120.40 129.97 2od4 s VAL 12 Ca -0.06 -0.73 -0.06 0.00 0.00 0.00 0.00 61.98 61.13 2od4 s VAL 12 Cb -0.15 -1.55 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 2od4 s VAL 12 CO 0.05 0.48 0.03 -0.69 0.00 0.00 0.00 175.10 174.96 2od4 s VAL 13 N 1.24 3.90 -0.05 2.92 1.01 0.90 -1.11 120.40 129.21 2od4 s VAL 13 Ca 0.00 -0.37 -0.23 0.00 0.00 0.00 0.00 61.98 61.39 2od4 s VAL 13 Cb -0.14 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 2od4 s VAL 13 CO -0.08 0.33 0.67 -0.94 0.00 0.00 0.00 175.10 175.08 2od4 s SER 14 N 1.55 6.97 -0.13 3.32 1.04 0.68 -0.81 113.70 126.33 2od4 s SER 14 Ca 0.06 1.17 0.00 0.00 0.48 0.00 0.00 55.95 57.65 2od4 s SER 14 Cb -0.15 -2.40 0.02 0.00 0.10 0.00 0.00 66.02 63.60 2od4 s SER 14 CO 0.01 -0.06 -0.11 -0.63 0.98 0.00 0.00 173.24 173.43 2od4 s ILE 15 N 0.56 1.27 -0.20 -1.02 1.01 0.14 -1.82 121.20 121.14 2od4 s ILE 15 Ca 0.35 -0.45 0.01 0.00 0.00 0.00 0.00 60.65 60.57 2od4 s ILE 15 Cb -0.18 -1.23 0.03 0.00 0.01 0.00 0.00 42.46 41.09 2od4 s ILE 15 CO 0.18 0.41 -0.17 -0.89 0.00 0.00 0.00 174.94 174.47 2od4 s THR 16 N 1.56 2.16 0.64 2.92 2.01 -0.46 -1.13 115.64 123.35 2od4 s THR 16 Ca 0.04 -1.09 -0.00 0.00 0.31 0.00 0.00 61.69 60.94 2od4 s THR 16 Cb -0.13 -2.01 0.08 0.00 0.01 0.00 0.00 72.50 70.45 2od4 s THR 16 CO -0.09 0.39 0.89 0.00 -0.69 0.00 0.00 174.62 175.12 2od4 s ALA 17 N 1.25 3.75 -0.75 7.40 0.00 0.17 -1.60 121.76 131.99 2od4 s ALA 17 Ca 0.02 -1.46 0.26 0.00 0.00 0.00 0.00 51.96 50.77 2od4 s ALA 17 Cb -0.15 -2.10 0.76 0.00 0.00 0.00 0.00 23.12 21.63 2od4 s ALA 17 CO -0.10 -1.11 1.70 1.04 0.00 0.00 0.00 175.76 177.29 2od4 n GLN 18 N -2.61 0.24 -3.89 0.00 6.02 -1.26 -4.89 117.38 110.99 2od4 n GLN 18 Ca 0.11 0.17 -0.08 0.00 -0.01 0.00 0.00 57.00 57.19 2od4 n GLN 18 Cb 0.60 -1.75 -0.02 0.00 1.02 0.00 0.00 30.24 30.09 2od4 n GLN 18 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2od4 s SER 19 N -4.31 -0.19 0.15 1.08 1.04 -1.26 -5.03 113.70 105.18 2od4 s SER 19 Ca 0.10 -0.73 -0.17 0.00 0.48 0.00 0.00 55.95 55.64 2od4 s SER 19 Cb 0.13 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.96 2od4 s SER 19 CO 0.62 -1.33 1.80 0.50 0.98 0.00 0.00 173.24 175.80 2od4 h LYS 20 N 2.06 0.50 -0.07 4.02 3.64 -1.91 -1.19 116.57 123.62 2od4 h LYS 20 Ca -0.22 -0.04 -0.15 0.00 -1.27 0.00 0.00 60.65 58.98 2od4 h LYS 20 Cb 1.25 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.95 2od4 h LYS 20 CO 0.27 0.35 -0.62 -0.07 -2.27 0.00 0.00 179.45 177.11 2od4 h LEU 21 N 0.50 0.30 -0.50 5.20 3.38 -1.97 0.02 115.31 122.24 2od4 h LEU 21 Ca 0.14 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 2od4 h LEU 21 Cb -0.03 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2od4 h LEU 21 CO -0.03 0.84 0.07 1.56 0.09 0.00 0.00 178.44 180.97 2od4 h GLN 22 N 0.19 0.83 -0.18 1.13 4.20 -1.93 -2.81 115.11 116.53 2od4 h GLN 22 Ca -0.01 -0.23 0.02 0.00 0.06 0.00 0.00 58.65 58.49 2od4 h GLN 22 Cb 1.14 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.80 2od4 h GLN 22 CO 0.10 0.84 0.04 0.35 -0.67 0.00 0.00 178.83 179.49 2od4 h PHE 23 N 0.71 0.07 0.00 2.96 3.57 -0.80 -1.74 116.94 121.71 2od4 h PHE 23 Ca 0.15 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.66 2od4 h PHE 23 Cb 0.42 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.15 2od4 h PHE 23 CO 0.03 0.03 0.00 -0.25 -2.23 0.00 0.00 178.31 175.89 2od4 n ASP 24 N -5.08 0.00 0.00 0.41 8.00 -0.04 -1.33 116.55 118.51 2od4 n ASP 24 Ca -0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.47 2od4 n ASP 24 Cb 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 2od4 n ASP 24 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 2od4 n THR 26 N 0.70 0.00 -0.22 -3.53 -1.04 -0.66 -1.93 114.28 107.60 2od4 n THR 26 Ca 0.00 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.94 2od4 n THR 26 Cb 0.00 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 68.54 2od4 n THR 26 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 2od4 h VAL 27 N 0.00 1.21 -0.95 12.58 2.07 -1.48 0.24 116.25 129.92 2od4 h VAL 27 Ca 0.00 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 66.95 2od4 h VAL 27 Cb 0.00 0.46 -0.05 0.00 -1.52 0.00 0.00 31.29 30.18 2od4 h VAL 27 CO 0.00 0.24 0.60 0.74 0.02 0.00 0.00 177.57 179.17 2od4 h THR 28 N 0.84 1.25 -0.46 2.57 2.02 -1.66 0.10 112.91 117.57 2od4 h THR 28 Ca 0.21 -0.51 -0.07 0.00 0.77 0.00 0.00 66.41 66.82 2od4 h THR 28 Cb 0.09 -0.12 -0.02 0.00 -1.74 0.00 0.00 68.15 66.37 2od4 h THR 28 CO -0.03 0.26 0.03 0.22 0.37 0.00 0.00 175.52 176.37 2od4 h TYR 29 N 1.30 0.85 -0.24 3.16 3.20 -1.63 -1.89 116.97 121.73 2od4 h TYR 29 Ca 0.34 -0.14 -0.07 0.00 3.14 0.00 0.00 58.73 62.01 2od4 h TYR 29 Cb -0.10 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 37.93 2od4 h TYR 29 CO 0.00 0.81 -0.16 0.74 -1.64 0.00 0.00 178.16 177.91 2od4 h PHE 30 N 0.64 0.43 -0.19 -3.82 -1.00 -0.03 -1.09 116.94 111.88 2od4 h PHE 30 Ca 0.13 -0.07 -0.10 0.00 2.81 0.00 0.00 57.97 60.75 2od4 h PHE 30 Cb 0.45 -0.12 -0.00 0.00 3.61 0.00 0.00 35.95 39.90 2od4 h PHE 30 CO 0.03 0.55 -0.27 1.49 -1.61 0.00 0.00 178.31 178.50 2od4 h GLU 31 N 0.37 0.52 0.00 1.51 4.81 -0.82 0.32 114.58 121.29 2od4 h GLU 31 Ca 0.07 -0.31 -0.19 0.00 -0.13 0.00 0.00 59.36 58.80 2od4 h GLU 31 Cb 0.50 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.87 2od4 h GLU 31 CO 0.03 0.90 -1.77 0.09 -0.73 0.00 0.00 179.01 177.54 2od4 n ASN 32 N -4.38 0.50 0.02 1.04 3.02 -0.73 -4.37 115.26 110.36 2od4 n ASN 32 Ca -0.06 0.22 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 2od4 n ASN 32 Cb 0.46 0.67 0.00 0.00 -0.61 0.00 0.00 39.78 40.30 2od4 n ASN 32 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2od4 n VAL 33 N -2.75 0.46 -0.02 2.41 0.31 -0.47 -4.69 118.33 113.57 2od4 n VAL 33 Ca -0.15 0.15 -0.13 0.00 -0.01 0.00 0.00 64.34 64.21 2od4 n VAL 33 Cb 0.88 -1.49 -0.08 0.00 -0.91 0.00 0.00 33.84 32.23 2od4 n VAL 33 CO 0.00 0.00 0.00 -0.25 -1.32 0.00 0.00 176.83 175.26 2od4 h TRP 34 N 0.00 0.13 -0.19 3.52 2.91 -1.42 -2.40 115.95 118.50 2od4 h TRP 34 Ca 0.00 -0.03 -0.04 0.00 1.13 0.00 0.00 58.89 59.95 2od4 h TRP 34 Cb 0.59 -0.03 -0.01 0.00 -0.51 0.00 0.00 29.16 29.21 2od4 h TRP 34 CO 0.00 0.46 -0.04 0.77 -1.03 0.00 0.00 178.44 178.61 2od4 h SER 35 N -0.25 0.36 -0.81 2.65 0.02 -1.15 -1.26 113.55 113.11 2od4 h SER 35 Ca 0.01 -0.36 0.14 0.00 -0.84 0.00 0.00 61.79 60.75 2od4 h SER 35 Cb 0.43 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.81 2od4 h SER 35 CO 0.01 0.63 0.53 -0.65 -1.14 0.00 0.00 176.83 176.21 2od4 h PRO 36 N 0.08 0.52 0.23 3.45 0.11 -1.76 -1.60 132.00 133.03 2od4 h PRO 36 Ca 0.05 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 2od4 h PRO 36 Cb 0.47 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.47 2od4 h PRO 36 CO 0.02 0.34 -0.11 -0.22 -0.21 0.00 0.00 178.00 177.82 2od4 h LYS 37 N 0.53 -0.30 -0.06 1.05 1.63 -0.85 -0.54 116.57 118.04 2od4 h LYS 37 Ca 0.40 0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 60.17 2od4 h LYS 37 Cb 0.78 0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.47 2od4 h LYS 37 CO -0.15 0.02 -0.20 -0.39 -3.45 0.00 0.00 179.45 175.28 2od4 h VAL 38 N -0.66 1.18 -0.42 2.00 -1.51 -1.10 -2.20 116.25 113.54 2od4 h VAL 38 Ca -0.03 -0.82 -0.14 0.00 -1.23 0.00 0.00 66.70 64.47 2od4 h VAL 38 Cb 0.46 1.37 -0.01 0.00 -2.13 0.00 0.00 31.29 30.98 2od4 h VAL 38 CO 0.05 0.24 -0.30 0.40 -1.23 0.00 0.00 177.57 176.73 2od4 h ILE 39 N 0.08 1.27 0.00 7.19 2.04 -1.20 -0.08 117.51 126.82 2od4 h ILE 39 Ca 0.02 -1.47 -0.02 0.00 1.00 0.00 0.00 64.86 64.39 2od4 h ILE 39 Cb 0.41 1.26 -0.00 0.00 -0.74 0.00 0.00 36.82 37.75 2od4 h ILE 39 CO 0.03 0.50 -0.08 0.77 0.00 0.00 0.00 178.15 179.36 2od4 h SER 40 N 0.79 0.00 0.24 1.72 4.64 -0.51 -2.43 113.55 118.00 2od4 h SER 40 Ca 0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2od4 h SER 40 Cb 0.88 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.97 2od4 h SER 40 CO 0.08 0.08 -0.47 0.18 -0.87 0.00 0.00 176.83 175.83 2od4 n LEU 41 N -4.02 1.02 0.00 5.97 4.77 -0.89 -4.93 117.00 118.92 2od4 n LEU 41 Ca -0.03 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 2od4 n LEU 41 Cb 0.17 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2od4 n LEU 41 CO 0.31 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 2od4 n GLY 42 N 1.43 0.75 3.75 -0.72 0.00 -0.92 -4.76 105.19 104.73 2od4 n GLY 42 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 2od4 n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2od4 s ALA 43 N -0.35 2.92 -0.08 4.61 0.00 -0.09 -4.61 121.76 124.17 2od4 s ALA 43 Ca 0.00 1.35 -0.18 0.00 0.00 0.00 0.00 51.96 53.13 2od4 s ALA 43 Cb 0.00 -3.57 -0.29 0.00 0.00 0.00 0.00 23.12 19.26 2od4 s ALA 43 CO 0.00 -1.31 0.70 0.82 0.00 0.00 0.00 175.76 175.97 2od4 h ILE 44 N 1.65 1.20 -2.91 0.00 2.04 -1.09 -3.40 117.51 115.00 2od4 h ILE 44 Ca -0.51 -2.47 0.01 0.00 1.00 0.00 0.00 64.86 62.90 2od4 h ILE 44 Cb 1.29 2.89 -0.11 0.00 -0.74 0.00 0.00 36.82 40.15 2od4 h ILE 44 CO 0.58 0.72 0.25 -0.94 0.00 0.00 0.00 178.15 178.76 2od4 s SER 45 N -7.06 -0.49 -0.04 1.72 1.04 -1.19 -4.75 113.70 102.93 2od4 s SER 45 Ca -0.17 -0.10 -0.03 0.00 0.48 0.00 0.00 55.95 56.13 2od4 s SER 45 Cb 0.03 0.60 0.02 0.00 0.10 0.00 0.00 66.02 66.76 2od4 s SER 45 CO 0.80 -0.99 0.10 0.00 0.98 0.00 0.00 173.24 174.13 2od4 s ALA 46 N -3.70 -0.21 0.06 5.32 0.00 -1.26 -1.41 121.76 120.57 2od4 s ALA 46 Ca 0.03 0.36 0.03 0.00 0.00 0.00 0.00 51.96 52.38 2od4 s ALA 46 Cb -0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.85 2od4 s ALA 46 CO -0.09 -0.07 -0.09 -1.83 0.00 0.00 0.00 175.76 173.67 2od4 s GLU 47 N 0.39 0.66 -0.08 0.00 -1.05 0.17 -4.97 118.70 113.82 2od4 s GLU 47 Ca -0.03 -0.91 0.03 0.00 -0.15 0.00 0.00 54.97 53.91 2od4 s GLU 47 Cb -0.04 -0.41 0.00 0.00 -0.44 0.00 0.00 34.13 33.24 2od4 s GLU 47 CO -0.02 0.07 -0.20 0.12 0.95 0.00 0.00 175.26 176.19 2od4 s PHE 48 N -1.76 2.13 -0.06 4.83 2.19 -1.26 -0.39 117.98 123.67 2od4 s PHE 48 Ca -0.04 -0.84 0.06 0.00 0.33 0.00 0.00 56.93 56.43 2od4 s PHE 48 Cb -0.07 -1.46 -0.01 0.00 -1.31 0.00 0.00 43.02 40.17 2od4 s PHE 48 CO 0.00 -0.36 -0.23 0.08 1.83 0.00 0.00 175.22 176.54 2od4 s VAL 49 N 0.44 1.91 -0.12 3.12 1.01 -1.26 -5.01 120.40 120.48 2od4 s VAL 49 Ca -0.17 -0.98 -0.20 0.00 0.00 0.00 0.00 61.98 60.63 2od4 s VAL 49 Cb -0.17 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 2od4 s VAL 49 CO 0.07 0.53 0.58 -1.58 0.00 0.00 0.00 175.10 174.70 2od4 s GLN 50 N -0.07 4.34 -0.26 2.72 0.74 -1.26 -4.31 119.66 121.57 2od4 s GLN 50 Ca -0.05 0.62 -0.06 0.00 0.05 0.00 0.00 55.36 55.92 2od4 s GLN 50 Cb -0.14 -3.47 -0.16 0.00 1.10 0.00 0.00 33.01 30.34 2od4 s GLN 50 CO 0.04 0.04 -0.23 -1.13 -0.55 0.00 0.00 175.29 173.46 2od4 n SER 51 N 4.03 1.98 -1.00 6.67 3.41 -0.00 -4.95 113.62 123.76 2od4 n SER 51 Ca -0.04 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 2od4 n SER 51 Cb 0.51 -0.63 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 2od4 n SER 51 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2od4 n ASN 52 N -3.73 0.00 0.28 4.04 0.23 -0.97 -5.00 115.26 110.11 2od4 n ASN 52 Ca -0.48 -1.00 0.13 0.00 -0.53 0.00 0.00 54.58 52.70 2od4 n ASN 52 Cb 0.94 0.00 0.82 0.00 -2.08 0.00 0.00 39.78 39.45 2od4 n ASN 52 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 2od4 h GLU 53 N 0.00 0.00 0.00 -3.83 4.11 -1.99 -2.88 114.58 109.99 2od4 h GLU 53 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2od4 h GLU 53 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2od4 h GLU 53 CO 0.00 0.02 -0.13 0.27 0.07 0.00 0.00 179.01 179.24 2od4 n ASN 54 N -4.03 1.55 -3.61 3.06 6.94 -1.26 -4.44 115.26 113.47 2od4 n ASN 54 Ca -0.03 -2.55 -0.12 0.00 -0.02 0.00 0.00 54.58 51.87 2od4 n ASN 54 Cb 0.10 -0.29 -0.05 0.00 -2.36 0.00 0.00 39.78 37.18 2od4 n ASN 54 CO 0.00 0.00 0.00 -0.94 -1.03 0.00 0.00 177.26 175.29 2od4 s SER 55 N -1.99 -0.30 0.00 0.53 1.04 -1.09 -0.65 113.70 111.23 2od4 s SER 55 Ca 0.18 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.47 2od4 s SER 55 Cb 0.16 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.75 2od4 s SER 55 CO 0.02 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.05 2od4 n GLY 56 N 0.03 1.49 3.55 7.32 0.00 -0.28 -0.82 105.19 116.49 2od4 n GLY 56 Ca -0.17 0.30 -0.00 0.00 0.00 0.00 0.00 46.02 46.15 2od4 n GLY 56 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2od4 s TYR 58 N 2.01 -1.06 -0.19 1.61 5.04 0.01 -0.69 117.35 124.08 2od4 s TYR 58 Ca 0.00 1.85 0.01 0.00 -2.44 0.00 0.00 57.07 56.49 2od4 s TYR 58 Cb 0.00 0.64 0.02 0.00 0.35 0.00 0.00 41.96 42.97 2od4 s TYR 58 CO 0.00 -0.53 -0.17 0.42 -1.34 0.00 0.00 175.55 173.93 2od4 s ILE 59 N 2.64 2.25 -0.10 3.14 1.01 0.48 -0.07 121.20 130.54 2od4 s ILE 59 Ca -0.05 -0.96 0.02 0.00 0.00 0.00 0.00 60.65 59.66 2od4 s ILE 59 Cb -0.09 -2.00 -0.01 0.00 0.01 0.00 0.00 42.46 40.37 2od4 s ILE 59 CO -0.18 0.46 -0.18 -0.63 0.00 0.00 0.00 174.94 174.40 2od4 s ILE 60 N 1.29 2.59 -0.14 2.92 1.09 0.75 -0.65 121.20 129.04 2od4 s ILE 60 Ca 0.04 -0.84 -0.06 0.00 -1.10 0.00 0.00 60.65 58.68 2od4 s ILE 60 Cb -0.14 -2.03 -0.04 0.00 -1.06 0.00 0.00 42.46 39.19 2od4 s ILE 60 CO -0.11 0.55 0.07 -1.00 -0.10 0.00 0.00 174.94 174.34 2od4 s HIS 61 N 0.19 3.31 0.12 3.97 3.76 -0.50 -0.86 115.29 125.28 2od4 s HIS 61 Ca -0.11 0.21 0.07 0.00 -0.15 0.00 0.00 55.06 55.09 2od4 s HIS 61 Cb -0.16 -1.97 -0.04 0.00 1.11 0.00 0.00 32.58 31.52 2od4 s HIS 61 CO 0.06 0.37 -0.18 0.71 -0.85 0.00 0.00 174.74 174.86 2od4 s TYR 62 N -0.27 1.62 0.37 1.40 2.02 0.68 -0.46 117.35 122.71 2od4 s TYR 62 Ca 0.08 -0.47 0.15 0.00 -0.37 0.00 0.00 57.07 56.46 2od4 s TYR 62 Cb -0.12 -0.86 0.82 0.00 -0.40 0.00 0.00 41.96 41.40 2od4 s TYR 62 CO 0.01 0.20 1.86 -1.00 -1.57 0.00 0.00 175.55 175.06 2od4 h PRO 63 N 3.80 0.00 -2.43 -1.71 0.13 -1.81 -1.98 132.00 128.01 2od4 h PRO 63 Ca -0.43 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 64.83 2od4 h PRO 63 Cb 1.19 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.21 2od4 h PRO 63 CO 0.45 0.33 0.44 0.16 -0.23 0.00 0.00 178.00 179.15 2od4 s ASP 64 N -6.84 -0.29 0.32 1.44 1.47 -1.26 -4.33 116.67 107.17 2od4 s ASP 64 Ca -0.03 -0.23 0.05 0.00 1.18 0.00 0.00 52.55 53.52 2od4 s ASP 64 Cb 0.14 0.48 0.68 0.00 -0.34 0.00 0.00 42.92 43.88 2od4 s ASP 64 CO 0.71 -0.83 1.85 0.50 0.68 0.00 0.00 175.17 178.08 2od4 h LYS 65 N 2.00 0.83 -0.50 2.11 3.64 -1.92 -2.47 116.57 120.26 2od4 h LYS 65 Ca -0.24 -0.05 -0.12 0.00 -1.27 0.00 0.00 60.65 58.97 2od4 h LYS 65 Cb 1.24 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.86 2od4 h LYS 65 CO 0.28 0.55 -0.18 1.96 -2.27 0.00 0.00 179.45 179.79 2od4 h GLN 66 N 0.85 0.99 -0.32 1.90 7.50 -1.99 0.57 115.11 124.61 2od4 h GLN 66 Ca 0.47 -0.40 -0.03 0.00 0.50 0.00 0.00 58.65 59.20 2od4 h GLN 66 Cb 0.59 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 28.06 2od4 h GLN 66 CO -0.23 1.07 0.10 1.15 -1.50 0.00 0.00 178.83 179.42 2od4 h THR 67 N 0.86 1.20 -0.59 -0.54 2.02 -1.92 -0.42 112.91 113.53 2od4 h THR 67 Ca 0.12 -0.66 0.08 0.00 0.77 0.00 0.00 66.41 66.73 2od4 h THR 67 Cb 0.75 1.04 -0.07 0.00 -1.74 0.00 0.00 68.15 68.13 2od4 h THR 67 CO 0.06 0.22 0.23 0.00 0.37 0.00 0.00 175.52 176.40 2od4 h ALA 68 N 0.94 0.76 -0.28 6.16 0.00 -1.12 -1.12 119.26 124.59 2od4 h ALA 68 Ca 0.10 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2od4 h ALA 68 Cb 0.25 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2od4 h ALA 68 CO -0.00 -0.18 0.09 0.82 0.00 0.00 0.00 179.25 179.98 2od4 h ILE 69 N 0.42 1.20 -0.38 0.00 2.04 -0.68 -1.85 117.51 118.27 2od4 h ILE 69 Ca 0.29 -0.63 0.08 0.00 1.00 0.00 0.00 64.86 65.59 2od4 h ILE 69 Cb 0.33 1.09 -0.08 0.00 -0.74 0.00 0.00 36.82 37.43 2od4 h ILE 69 CO -0.28 0.21 -0.13 -1.28 0.00 0.00 0.00 178.15 176.67 2od4 h SER 70 N 0.29 -0.45 -0.18 1.72 0.87 -0.66 -0.58 113.55 114.55 2od4 h SER 70 Ca 0.09 0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.74 2od4 h SER 70 Cb 0.24 0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 2od4 h SER 70 CO -0.00 -0.16 -0.01 0.58 -0.53 0.00 0.00 176.83 176.70 2od4 h VAL 71 N -0.05 1.26 -0.60 2.23 2.07 -1.19 -2.71 116.25 117.26 2od4 h VAL 71 Ca 0.19 -0.90 0.02 0.00 0.82 0.00 0.00 66.70 66.82 2od4 h VAL 71 Cb 0.33 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.56 2od4 h VAL 71 CO -0.41 0.27 0.38 0.15 0.02 0.00 0.00 177.57 177.98 2od4 h PHE 72 N 0.07 0.72 -0.90 1.57 3.57 -1.06 -1.66 116.94 119.25 2od4 h PHE 72 Ca 0.05 0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.69 2od4 h PHE 72 Cb 0.41 -0.24 -0.08 0.00 2.79 0.00 0.00 35.95 38.83 2od4 h PHE 72 CO 0.04 0.43 0.53 -0.44 -2.23 0.00 0.00 178.31 176.64 2od4 h ASP 73 N 0.77 0.74 0.62 0.41 3.32 -1.06 -0.18 116.42 121.03 2od4 h ASP 73 Ca 0.23 0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.26 2od4 h ASP 73 Cb -0.03 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 2od4 h ASP 73 CO -0.08 0.39 -0.40 0.11 -1.72 0.00 0.00 179.24 177.53 2od4 h LYS 74 N 0.83 0.00 -0.20 3.56 1.57 -0.99 -3.28 116.57 118.05 2od4 h LYS 74 Ca 0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.23 2od4 h LYS 74 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2od4 h LYS 74 CO -0.28 0.40 0.00 0.44 -0.57 0.00 0.00 179.45 179.44 2od4 n ILE 75 N -3.76 0.66 -0.35 1.86 -5.35 -0.83 -4.71 119.36 106.88 2od4 n ILE 75 Ca -0.01 -0.83 0.08 0.00 -0.27 0.00 0.00 62.75 61.72 2od4 n ILE 75 Cb 0.48 0.74 0.26 0.00 -1.74 0.00 0.00 39.64 39.37 2od4 n ILE 75 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 2od4 h LYS 76 N 1.75 0.93 -0.75 6.28 3.64 -1.12 -0.74 116.57 126.55 2od4 h LYS 76 Ca 0.00 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 2od4 h LYS 76 Cb 0.59 -0.21 -0.04 0.00 -0.41 0.00 0.00 32.23 32.17 2od4 h LYS 76 CO 0.00 0.61 0.44 -1.35 -2.27 0.00 0.00 179.45 176.88 2od4 h PRO 77 N 0.95 1.02 -0.41 1.90 0.11 -1.86 0.20 132.00 133.92 2od4 h PRO 77 Ca 0.49 -0.10 -0.14 0.00 0.11 0.00 0.00 66.00 66.37 2od4 h PRO 77 Cb 0.53 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.42 2od4 h PRO 77 CO -0.26 0.73 -0.29 0.93 -0.21 0.00 0.00 178.00 178.90 2od4 h GLU 78 N 1.04 0.89 -0.66 1.05 3.07 -1.55 -2.63 114.58 115.79 2od4 h GLU 78 Ca 0.27 -0.41 -0.01 0.00 -0.50 0.00 0.00 59.36 58.71 2od4 h GLU 78 Cb -0.02 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 27.85 2od4 h GLU 78 CO -0.05 1.06 0.37 0.28 -1.40 0.00 0.00 179.01 179.27 2od4 h VAL 79 N 0.75 1.20 -0.74 3.13 2.07 -0.61 -1.38 116.25 120.66 2od4 h VAL 79 Ca 0.08 -0.48 0.00 0.00 0.82 0.00 0.00 66.70 67.12 2od4 h VAL 79 Cb 0.85 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.91 2od4 h VAL 79 CO 0.07 0.22 0.47 0.44 0.02 0.00 0.00 177.57 178.79 2od4 h ASP 80 N 0.90 0.87 -0.54 0.57 3.32 -0.86 -0.55 116.42 120.11 2od4 h ASP 80 Ca 0.23 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.16 2od4 h ASP 80 Cb 0.02 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 2od4 h ASP 80 CO -0.04 0.64 -0.01 -0.08 -1.72 0.00 0.00 179.24 178.04 2od4 h GLU 81 N 1.01 0.99 -0.64 3.56 4.57 -1.07 -2.73 114.58 120.28 2od4 h GLU 81 Ca 0.27 -0.30 -0.06 0.00 -1.18 0.00 0.00 59.36 58.08 2od4 h GLU 81 Cb -0.09 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.38 2od4 h GLU 81 CO -0.06 0.98 0.15 0.28 -1.18 0.00 0.00 179.01 179.19 2od4 h VAL 82 N 0.91 1.25 0.00 0.32 2.07 -0.12 -1.72 116.25 118.95 2od4 h VAL 82 Ca 0.16 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.78 2od4 h VAL 82 Cb 0.54 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2od4 h VAL 82 CO 0.03 0.34 0.00 0.03 0.02 0.00 0.00 177.57 177.99 2od4 h ARG 83 N 0.95 0.00 0.00 1.57 3.08 -0.85 -2.23 114.38 116.90 2od4 h ARG 83 Ca 0.20 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 60.11 2od4 h ARG 83 Cb 0.34 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 2od4 h ARG 83 CO 0.00 0.00 -0.66 1.79 -1.07 0.00 0.00 179.97 180.03 2od4 h THR 84 N 0.00 1.45 0.00 2.04 1.35 -1.10 -3.29 112.91 113.36 2od4 h THR 84 Ca 0.00 -2.27 0.00 0.00 -0.55 0.00 0.00 66.41 63.59 2od4 h THR 84 Cb 0.19 2.23 0.00 0.00 -1.73 0.00 0.00 68.15 68.84 2od4 h THR 84 CO 0.00 0.64 -0.79 0.00 -0.25 0.00 0.00 175.52 175.13 2od4 n GLN 85 N -3.72 1.65 -4.02 4.72 1.13 -0.97 -5.02 117.38 111.15 2od4 n GLN 85 Ca -0.01 -0.00 -0.08 0.00 -1.94 0.00 0.00 57.00 54.97 2od4 n GLN 85 Cb 0.66 -1.26 -0.09 0.00 0.11 0.00 0.00 30.24 29.65 2od4 n GLN 85 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2od4 s ASN 86 N -2.55 0.38 -0.31 1.08 0.01 -0.88 -4.39 114.94 108.28 2od4 s ASN 86 Ca 0.06 -0.89 -0.19 0.00 -0.71 0.00 0.00 52.86 51.13 2od4 s ASN 86 Cb 0.12 0.24 -0.01 0.00 0.41 0.00 0.00 41.25 42.01 2od4 s ASN 86 CO 0.66 -0.63 0.56 -0.60 -1.51 0.00 0.00 177.10 175.58 2od4 s ARG 87 N -3.85 3.83 -0.07 -0.60 3.52 -0.62 -4.48 118.95 116.67 2od4 s ARG 87 Ca 0.06 0.12 0.05 0.00 -0.13 0.00 0.00 55.73 55.83 2od4 s ARG 87 Cb 0.07 -3.74 -0.01 0.00 -1.56 0.00 0.00 34.95 29.71 2od4 s ARG 87 CO -0.10 -0.55 -0.23 0.42 -0.81 0.00 0.00 175.30 174.03 2od4 s ILE 88 N 2.46 2.21 -0.04 4.11 -1.09 -1.26 -1.35 121.20 126.24 2od4 s ILE 88 Ca 0.22 -1.00 0.02 0.00 -2.23 0.00 0.00 60.65 57.66 2od4 s ILE 88 Cb -0.15 -1.83 0.02 0.00 -1.58 0.00 0.00 42.46 38.92 2od4 s ILE 88 CO 0.12 0.57 -0.07 -1.58 -1.23 0.00 0.00 174.94 172.75 2od4 s GLN 89 N -0.04 0.99 -0.09 2.79 2.00 -0.75 -4.98 119.66 119.58 2od4 s GLN 89 Ca -0.07 -0.20 0.02 0.00 -2.00 0.00 0.00 55.36 53.11 2od4 s GLN 89 Cb -0.15 -0.93 -0.02 0.00 0.80 0.00 0.00 33.01 32.72 2od4 s GLN 89 CO 0.05 -0.02 -0.14 0.42 -0.50 0.00 0.00 175.29 175.10 2od4 s ILE 90 N 0.69 3.02 -0.02 -2.34 1.01 -1.26 -0.23 121.20 122.07 2od4 s ILE 90 Ca -0.10 -0.70 0.01 0.00 0.00 0.00 0.00 60.65 59.85 2od4 s ILE 90 Cb -0.13 -2.22 0.02 0.00 0.01 0.00 0.00 42.46 40.13 2od4 s ILE 90 CO 0.01 0.56 -0.03 -0.89 0.00 0.00 0.00 174.94 174.59 2od4 s THR 91 N -0.15 0.34 0.09 2.92 2.01 -0.26 -5.01 115.64 115.58 2od4 s THR 91 Ca -0.01 -0.07 -0.17 0.00 0.31 0.00 0.00 61.69 61.75 2od4 s THR 91 Cb -0.14 -0.36 0.04 0.00 0.01 0.00 0.00 72.50 72.05 2od4 s THR 91 CO 0.03 0.15 0.42 -1.83 -0.69 0.00 0.00 174.62 172.70 2od4 s GLU 92 N 0.60 1.01 0.00 4.92 -1.05 -1.26 -0.73 118.70 122.19 2od4 s GLU 92 Ca -0.07 -0.53 0.00 0.00 -0.15 0.00 0.00 54.97 54.22 2od4 s GLU 92 Cb -0.10 0.45 0.00 0.00 -0.44 0.00 0.00 34.13 34.04 2od4 s GLU 92 CO -0.01 -0.38 0.00 0.41 0.95 0.00 0.00 175.26 176.24 2od4 n GLY 93 N 0.11 -1.34 3.80 -3.83 0.00 -0.52 -5.01 105.19 98.40 2od4 n GLY 93 Ca -0.17 -0.99 -0.36 0.00 0.00 0.00 0.00 46.02 44.50 2od4 n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2od4 s LYS 94 N -0.90 4.40 -0.16 1.61 1.02 -1.26 -1.07 119.74 123.37 2od4 s LYS 94 Ca 0.00 1.13 -0.29 0.00 0.02 0.00 0.00 55.97 56.83 2od4 s LYS 94 Cb 0.00 -2.68 -0.01 0.00 -0.52 0.00 0.00 37.83 34.62 2od4 s LYS 94 CO 0.00 0.24 1.15 0.50 -0.92 0.00 0.00 175.35 176.32 2od4 s ARG 95 N -2.31 4.29 -0.01 1.68 3.52 -1.26 -4.90 118.95 119.96 2od4 s ARG 95 Ca 0.51 1.53 -0.05 0.00 -0.13 0.00 0.00 55.73 57.60 2od4 s ARG 95 Cb -0.16 -3.66 -0.28 0.00 -1.56 0.00 0.00 34.95 29.29 2od4 s ARG 95 CO 0.21 -0.58 0.83 -0.07 -0.81 0.00 0.00 175.30 174.87 2od4 h LEU 96 N 9.13 0.44 -7.07 -0.88 3.38 -1.99 -3.49 115.31 114.83 2od4 h LEU 96 Ca -0.26 -0.61 -0.04 0.00 0.09 0.00 0.00 57.88 57.05 2od4 h LEU 96 Cb 1.11 -0.14 -0.15 0.00 0.09 0.00 0.00 40.66 41.56 2od4 h LEU 96 CO 0.94 1.51 0.14 0.72 0.09 0.00 0.00 178.44 181.85 2od4 s PHE 97 N -2.61 -0.52 -0.03 1.13 -0.12 -1.26 -5.15 117.98 109.41 2od4 s PHE 97 Ca -0.10 0.54 0.01 0.00 -0.05 0.00 0.00 56.93 57.33 2od4 s PHE 97 Cb 0.06 0.45 0.02 0.00 -0.63 0.00 0.00 43.02 42.92 2od4 s PHE 97 CO 0.86 -0.73 -0.04 0.50 -0.05 0.00 0.00 175.22 175.76 2od4 s ARG 98 N -2.78 0.64 0.01 1.99 3.52 -1.26 -5.15 118.95 115.92 2od4 s ARG 98 Ca -0.04 -0.09 0.08 0.00 -0.13 0.00 0.00 55.73 55.55 2od4 s ARG 98 Cb -0.01 -0.67 -0.03 0.00 -1.56 0.00 0.00 34.95 32.68 2od4 s ARG 98 CO -0.04 -0.05 -0.23 0.08 -0.81 0.00 0.00 175.30 174.26 2od4 s VAL 99 N 0.70 2.40 0.00 7.11 1.01 -1.26 -5.30 120.40 125.06 2od4 s VAL 99 Ca -0.09 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 60.74 2od4 s VAL 99 Cb -0.12 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.34 2od4 s VAL 99 CO -0.00 0.46 0.00 -0.90 0.00 0.00 0.00 175.10 174.66