#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k49 s SER 2 N 0.00 5.98 0.01 6.12 0.01 -1.26 -4.80 113.70 119.76 2k49 s SER 2 Ca 0.00 -0.48 -0.29 0.00 1.31 0.00 0.00 55.95 56.49 2k49 s SER 2 Cb 0.00 -2.12 0.11 0.00 0.21 0.00 0.00 66.02 64.22 2k49 s SER 2 CO 0.00 -0.25 1.24 -0.83 0.41 0.00 0.00 173.24 173.82 2k49 s GLY 3 N 1.70 -0.29 0.12 3.44 0.00 -1.26 -2.65 107.32 108.38 2k49 s GLY 3 Ca 0.06 0.40 -0.19 0.00 0.00 0.00 0.00 44.72 44.99 2k49 s GLY 3 CO 0.10 1.67 0.47 0.66 0.00 0.00 0.00 173.10 175.99 2k49 s TRP 4 N -2.37 -0.32 -0.18 1.90 -2.14 -0.84 -4.70 118.94 110.29 2k49 s TRP 4 Ca 0.18 0.11 -0.06 0.00 2.66 0.00 0.00 56.10 59.00 2k49 s TRP 4 Cb 0.02 0.34 -0.03 0.00 -3.10 0.00 0.00 33.47 30.70 2k49 s TRP 4 CO -0.02 -0.72 0.01 0.71 -2.66 0.00 0.00 176.95 174.28 2k49 s TYR 5 N -3.49 3.12 -0.29 1.66 1.51 -0.32 -0.89 117.35 118.65 2k49 s TYR 5 Ca 0.01 -0.19 -0.08 0.00 -1.01 0.00 0.00 57.07 55.80 2k49 s TYR 5 Cb 0.01 -2.04 -0.01 0.00 -0.11 0.00 0.00 41.96 39.80 2k49 s TYR 5 CO -0.10 -0.02 0.10 -1.21 -1.11 0.00 0.00 175.55 173.21 2k49 s GLU 6 N 0.56 3.33 -0.15 -0.62 2.02 0.08 0.11 118.70 124.03 2k49 s GLU 6 Ca 0.00 -0.70 -0.13 0.00 0.02 0.00 0.00 54.97 54.16 2k49 s GLU 6 Cb -0.14 -3.43 -0.05 0.00 0.10 0.00 0.00 34.13 30.62 2k49 s GLU 6 CO 0.02 -0.36 0.26 -1.17 0.02 0.00 0.00 175.26 174.03 2k49 s LEU 7 N 1.57 4.27 0.10 1.80 2.96 0.01 -1.22 118.68 128.17 2k49 s LEU 7 Ca 0.04 0.49 0.03 0.00 -0.22 0.00 0.00 54.13 54.48 2k49 s LEU 7 Cb -0.17 -2.32 -0.04 0.00 0.50 0.00 0.00 46.19 44.17 2k49 s LEU 7 CO 0.04 0.16 -0.08 -0.94 -1.32 0.00 0.00 176.35 174.21 2k49 s SER 8 N 0.20 1.30 -0.08 3.68 1.04 0.02 -1.36 113.70 118.50 2k49 s SER 8 Ca 0.16 -0.93 0.04 0.00 0.48 0.00 0.00 55.95 55.69 2k49 s SER 8 Cb -0.13 0.05 -0.01 0.00 0.10 0.00 0.00 66.02 66.04 2k49 s SER 8 CO 0.04 -0.38 -0.22 -0.75 0.98 0.00 0.00 173.24 172.91 2k49 s LYS 9 N -3.43 2.86 0.82 4.02 2.20 -1.26 -0.37 119.74 124.57 2k49 s LYS 9 Ca 0.10 -0.84 -0.11 0.00 -0.36 0.00 0.00 55.97 54.76 2k49 s LYS 9 Cb 0.02 -2.31 0.12 0.00 -1.51 0.00 0.00 37.83 34.14 2k49 s LYS 9 CO -0.02 0.31 1.16 -1.54 -0.36 0.00 0.00 175.35 174.89 2k49 s SER 10 N 0.04 4.15 0.63 1.43 1.04 0.36 -4.90 113.70 116.44 2k49 s SER 10 Ca -0.09 0.42 0.34 0.00 0.48 0.00 0.00 55.95 57.11 2k49 s SER 10 Cb -0.15 -0.81 1.95 0.00 0.10 0.00 0.00 66.02 67.12 2k49 s SER 10 CO 0.05 -2.07 2.20 0.28 0.98 0.00 0.00 173.24 174.69 2k49 h SER 11 N -1.06 0.00 -0.06 7.02 0.02 -2.01 0.85 113.55 118.31 2k49 h SER 11 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 2k49 h SER 11 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 2k49 h SER 11 CO 0.53 0.00 0.00 0.59 -1.14 0.00 0.00 176.83 176.81 2k49 n ASN 12 N -3.45 0.48 -1.54 3.07 3.02 -1.26 -4.87 115.26 110.71 2k49 n ASN 12 Ca -0.01 -1.66 -0.17 0.00 -0.03 0.00 0.00 54.58 52.70 2k49 n ASN 12 Cb 0.19 -0.04 -0.04 0.00 -0.61 0.00 0.00 39.78 39.28 2k49 n ASN 12 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2k49 n ASP 13 N -0.39 -4.97 -4.83 6.41 2.03 0.29 -5.00 116.55 110.09 2k49 n ASP 13 Ca 0.11 0.23 -0.35 0.00 0.52 0.00 0.00 54.79 55.30 2k49 n ASP 13 Cb 0.12 -3.99 -0.06 0.00 -0.72 0.00 0.00 41.12 36.47 2k49 n ASP 13 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2k49 s GLN 14 N -4.01 3.28 -0.04 -0.67 -0.21 -1.25 -4.86 119.66 111.90 2k49 s GLN 14 Ca 0.00 -0.30 -0.16 0.00 0.02 0.00 0.00 55.36 54.92 2k49 s GLN 14 Cb 0.00 -3.03 -0.05 0.00 1.00 0.00 0.00 33.01 30.93 2k49 s GLN 14 CO 0.00 0.71 0.44 -0.06 -2.12 0.00 0.00 175.29 174.26 2k49 s PHE 15 N -1.11 3.65 -0.02 0.91 0.40 0.39 -0.48 117.98 121.71 2k49 s PHE 15 Ca 0.19 0.97 0.00 0.00 -0.60 0.00 0.00 56.93 57.50 2k49 s PHE 15 Cb -0.12 -2.40 0.02 0.00 0.51 0.00 0.00 43.02 41.04 2k49 s PHE 15 CO 0.09 0.47 0.00 -1.59 0.70 0.00 0.00 175.22 174.89 2k49 s LYS 16 N -0.46 0.21 0.12 0.44 -2.85 0.50 -0.48 119.74 117.23 2k49 s LYS 16 Ca 0.25 0.08 0.10 0.00 -1.00 0.00 0.00 55.97 55.40 2k49 s LYS 16 Cb -0.16 -0.40 -0.04 0.00 -2.06 0.00 0.00 37.83 35.17 2k49 s LYS 16 CO 0.12 -0.12 -0.26 -0.59 0.10 0.00 0.00 175.35 174.60 2k49 s PHE 17 N 0.92 2.21 -0.02 1.78 -0.71 -1.26 -0.80 117.98 120.10 2k49 s PHE 17 Ca -0.09 -0.39 0.05 0.00 -1.04 0.00 0.00 56.93 55.46 2k49 s PHE 17 Cb -0.12 -1.20 -0.01 0.00 -1.21 0.00 0.00 43.02 40.48 2k49 s PHE 17 CO -0.02 0.31 -0.16 0.14 -1.34 0.00 0.00 175.22 174.15 2k49 s VAL 18 N -1.08 1.31 -0.25 -2.49 -7.23 -0.36 -1.99 120.40 108.32 2k49 s VAL 18 Ca 0.12 -0.70 -0.14 0.00 -1.81 0.00 0.00 61.98 59.46 2k49 s VAL 18 Cb -0.10 -1.10 -0.04 0.00 0.56 0.00 0.00 36.38 35.70 2k49 s VAL 18 CO 0.06 0.37 0.32 -0.22 -0.31 0.00 0.00 175.10 175.31 2k49 s LEU 19 N -0.30 4.07 -0.00 1.32 2.96 -0.09 -0.74 118.68 125.90 2k49 s LEU 19 Ca 0.04 0.26 0.02 0.00 -0.22 0.00 0.00 54.13 54.23 2k49 s LEU 19 Cb -0.07 -2.34 -0.04 0.00 0.50 0.00 0.00 46.19 44.24 2k49 s LEU 19 CO -0.00 -0.10 -0.02 -0.54 -1.32 0.00 0.00 176.35 174.37 2k49 s LYS 20 N 1.69 2.71 0.64 1.98 1.02 -0.07 -1.10 119.74 126.62 2k49 s LYS 20 Ca 0.13 -0.65 -0.10 0.00 0.02 0.00 0.00 55.97 55.38 2k49 s LYS 20 Cb -0.15 -2.61 0.15 0.00 -0.52 0.00 0.00 37.83 34.69 2k49 s LYS 20 CO 0.09 0.62 0.87 0.00 -0.92 0.00 0.00 175.35 176.01 2k49 n ALA 21 N 1.47 -0.95 0.25 5.17 0.00 -0.58 -1.98 120.51 123.89 2k49 n ALA 21 Ca -0.15 -1.16 0.12 0.00 0.00 0.00 0.00 53.44 52.25 2k49 n ALA 21 Cb 0.53 -0.04 0.77 0.00 0.00 0.00 0.00 19.45 20.70 2k49 n ALA 21 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2k49 h GLY 22 N -1.11 0.00 1.75 0.00 0.00 -1.86 0.05 103.07 101.90 2k49 h GLY 22 Ca -0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2k49 h GLY 22 CO 0.20 0.00 -0.05 1.16 0.00 0.00 0.00 176.54 177.85 2k49 n ASN 23 N -4.19 0.07 0.00 0.19 6.94 -1.26 -4.92 115.26 112.09 2k49 n ASN 23 Ca -0.02 0.22 0.00 0.00 -0.02 0.00 0.00 54.58 54.77 2k49 n ASN 23 Cb 0.15 -0.36 0.00 0.00 -2.36 0.00 0.00 39.78 37.21 2k49 n ASN 23 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2k49 n GLY 24 N 1.44 0.67 3.82 4.83 0.00 0.00 -5.06 105.19 110.89 2k49 n GLY 24 Ca 0.09 -0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 2k49 n GLY 24 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k49 s GLU 25 N -0.62 4.03 -0.28 1.61 2.12 -1.26 -4.80 118.70 119.49 2k49 s GLU 25 Ca 0.00 0.50 -0.29 0.00 0.36 0.00 0.00 54.97 55.54 2k49 s GLU 25 Cb 0.00 -3.24 0.01 0.00 0.26 0.00 0.00 34.13 31.16 2k49 s GLU 25 CO 0.00 0.63 1.06 0.08 -0.54 0.00 0.00 175.26 176.49 2k49 s VAL 26 N -0.94 4.58 -0.20 3.70 1.01 -1.26 -1.53 120.40 125.76 2k49 s VAL 26 Ca 0.25 1.85 -0.02 0.00 0.00 0.00 0.00 61.98 64.06 2k49 s VAL 26 Cb -0.17 -4.37 -0.21 0.00 0.00 0.00 0.00 36.38 31.63 2k49 s VAL 26 CO 0.15 -0.35 0.02 2.30 0.00 0.00 0.00 175.10 177.22 2k49 n ILE 27 N 5.64 1.61 -4.94 2.22 -5.35 -0.26 -4.80 119.36 113.48 2k49 n ILE 27 Ca 0.12 -0.60 -0.28 0.00 -0.27 0.00 0.00 62.75 61.72 2k49 n ILE 27 Cb 0.47 -1.56 -0.17 0.00 -1.74 0.00 0.00 39.64 36.64 2k49 n ILE 27 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2k49 s LEU 28 N -6.76 1.91 -0.14 7.28 2.01 -1.21 -3.66 118.68 118.11 2k49 s LEU 28 Ca -0.30 -0.42 0.00 0.00 0.01 0.00 0.00 54.13 53.42 2k49 s LEU 28 Cb 0.08 -1.12 0.02 0.00 0.01 0.00 0.00 46.19 45.18 2k49 s LEU 28 CO 0.67 0.13 -0.14 -0.89 1.01 0.00 0.00 176.35 177.13 2k49 s THR 29 N 0.31 1.55 0.38 5.49 2.01 0.22 -0.92 115.64 124.68 2k49 s THR 29 Ca -0.12 -0.62 -0.03 0.00 0.31 0.00 0.00 61.69 61.22 2k49 s THR 29 Cb -0.15 -1.45 -0.04 0.00 0.01 0.00 0.00 72.50 70.87 2k49 s THR 29 CO 0.05 0.45 0.63 -0.44 -0.69 0.00 0.00 174.62 174.63 2k49 s SER 30 N 1.43 6.33 0.96 3.53 0.01 -0.84 -1.13 113.70 123.99 2k49 s SER 30 Ca 0.04 0.70 -0.04 0.00 1.31 0.00 0.00 55.95 57.95 2k49 s SER 30 Cb -0.13 -2.14 0.06 0.00 0.21 0.00 0.00 66.02 64.02 2k49 s SER 30 CO -0.10 -0.36 0.35 -0.62 0.41 0.00 0.00 173.24 172.93 2k49 n GLU 31 N -1.70 -0.29 -2.64 12.44 4.71 -1.26 -4.48 120.64 127.43 2k49 n GLU 31 Ca -0.02 -0.57 -0.42 0.00 -0.01 0.00 0.00 57.16 56.13 2k49 n GLU 31 Cb 0.55 -0.35 -0.03 0.00 -1.01 0.00 0.00 31.44 30.60 2k49 n GLU 31 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2k49 s LEU 32 N 0.00 4.24 -0.05 -4.62 1.43 -1.26 -4.45 118.68 113.97 2k49 s LEU 32 Ca 0.20 1.57 -0.01 0.00 -1.03 0.00 0.00 54.13 54.86 2k49 s LEU 32 Cb -0.01 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.62 2k49 s LEU 32 CO 0.14 -0.50 0.03 -0.31 0.23 0.00 0.00 176.35 175.95 2k49 s TYR 33 N 2.18 3.20 -0.80 0.29 1.51 0.37 -4.90 117.35 119.20 2k49 s TYR 33 Ca 0.49 0.19 0.23 0.00 -1.01 0.00 0.00 57.07 56.98 2k49 s TYR 33 Cb -0.19 -1.76 0.92 0.00 -0.11 0.00 0.00 41.96 40.82 2k49 s TYR 33 CO 0.17 0.51 1.72 0.25 -1.11 0.00 0.00 175.55 177.10 2k49 n THR 34 N 1.71 0.60 -3.87 -0.71 -2.24 -1.26 -0.46 114.28 108.05 2k49 n THR 34 Ca -0.16 0.05 -0.11 0.00 -2.27 0.00 0.00 64.05 61.55 2k49 n THR 34 Cb 0.53 -0.81 -0.11 0.00 -2.10 0.00 0.00 70.33 67.84 2k49 n THR 34 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2k49 s GLY 35 N -3.29 0.02 0.20 3.38 0.00 -1.26 -4.86 107.32 101.51 2k49 s GLY 35 Ca 0.09 -0.01 -0.02 0.00 0.00 0.00 0.00 44.72 44.78 2k49 s GLY 35 CO 0.45 -0.10 1.52 1.70 0.00 0.00 0.00 173.10 176.67 2k49 h LYS 36 N 5.03 0.53 -0.16 2.90 3.64 -1.96 -2.13 116.57 124.43 2k49 h LYS 36 Ca -0.29 -0.33 0.03 0.00 -1.27 0.00 0.00 60.65 58.80 2k49 h LYS 36 Cb 1.20 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 33.02 2k49 h LYS 36 CO 0.42 0.93 -0.03 1.03 -2.27 0.00 0.00 179.45 179.52 2k49 h SER 37 N 0.42 -0.14 -0.65 4.20 0.87 -1.99 0.87 113.55 117.13 2k49 h SER 37 Ca 0.01 0.05 -0.05 0.00 -1.23 0.00 0.00 61.79 60.57 2k49 h SER 37 Cb 1.06 0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 63.09 2k49 h SER 37 CO 0.10 -0.05 0.23 1.23 -0.53 0.00 0.00 176.83 177.81 2k49 h GLY 38 N 0.01 1.10 0.99 5.77 0.00 -1.97 0.99 103.07 109.95 2k49 h GLY 38 Ca 0.08 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 46.78 2k49 h GLY 38 CO -0.16 0.58 -0.18 0.00 0.00 0.00 0.00 176.54 176.78 2k49 h ALA 39 N 1.26 -0.51 -0.88 3.60 0.00 -0.92 0.17 119.26 121.97 2k49 h ALA 39 Ca 0.22 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2k49 h ALA 39 Cb 0.25 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 2k49 h ALA 39 CO -0.01 -0.77 0.52 0.52 0.00 0.00 0.00 179.25 179.50 2k49 h MET 40 N -0.52 1.21 -0.88 0.00 2.86 -0.78 -0.85 114.93 115.97 2k49 h MET 40 Ca -0.05 -0.12 0.10 0.00 -2.06 0.00 0.00 59.70 57.57 2k49 h MET 40 Cb 0.40 -0.25 -0.06 0.00 0.06 0.00 0.00 31.60 31.75 2k49 h MET 40 CO 0.08 0.86 0.57 -0.97 1.06 0.00 0.00 176.91 178.51 2k49 h ASN 41 N 1.22 0.76 -0.93 1.22 -0.73 -0.60 0.18 115.58 116.71 2k49 h ASN 41 Ca 0.31 0.02 0.01 0.00 1.87 0.00 0.00 56.30 58.52 2k49 h ASN 41 Cb -0.02 -0.13 -0.05 0.00 0.27 0.00 0.00 38.32 38.39 2k49 h ASN 41 CO -0.06 0.44 0.62 1.23 -0.37 0.00 0.00 177.43 179.29 2k49 h GLY 42 N 0.84 1.31 0.88 1.57 0.00 0.73 -0.48 103.07 107.92 2k49 h GLY 42 Ca 0.41 -0.48 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 2k49 h GLY 42 CO -0.18 0.47 0.07 -2.22 0.00 0.00 0.00 176.54 174.68 2k49 h ILE 43 N 1.25 1.16 -0.70 2.60 2.04 0.05 0.01 117.51 123.93 2k49 h ILE 43 Ca 0.34 -0.50 0.12 0.00 1.00 0.00 0.00 64.86 65.83 2k49 h ILE 43 Cb -0.13 1.16 -0.09 0.00 -0.74 0.00 0.00 36.82 37.03 2k49 h ILE 43 CO -0.08 0.16 0.26 -0.33 0.00 0.00 0.00 178.15 178.16 2k49 h GLU 44 N 0.13 0.41 -0.88 2.37 4.39 -0.83 -0.92 114.58 119.25 2k49 h GLU 44 Ca 0.06 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 2k49 h GLU 44 Cb 0.18 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.70 2k49 h GLU 44 CO -0.00 0.27 0.52 0.77 -1.16 0.00 0.00 179.01 179.41 2k49 h SER 45 N 0.42 1.06 -0.81 1.42 0.02 -0.64 -2.09 113.55 112.93 2k49 h SER 45 Ca 0.37 -0.07 0.06 0.00 -0.84 0.00 0.00 61.79 61.32 2k49 h SER 45 Cb 0.53 -0.27 -0.06 0.00 0.14 0.00 0.00 62.40 62.74 2k49 h SER 45 CO -0.37 0.82 0.49 0.58 -1.14 0.00 0.00 176.83 177.21 2k49 h VAL 46 N 1.22 1.02 -0.55 2.27 2.07 0.36 0.21 116.25 122.85 2k49 h VAL 46 Ca 0.32 -0.31 0.02 0.00 0.82 0.00 0.00 66.70 67.54 2k49 h VAL 46 Cb -0.04 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 29.74 2k49 h VAL 46 CO -0.06 0.16 0.35 1.56 0.02 0.00 0.00 177.57 179.61 2k49 h GLN 47 N 0.90 0.69 -0.56 1.57 4.20 -0.73 0.14 115.11 121.32 2k49 h GLN 47 Ca 0.36 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.92 2k49 h GLN 47 Cb 0.17 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 2k49 h GLN 47 CO -0.17 0.45 -0.06 1.15 -0.67 0.00 0.00 178.83 179.53 2k49 h THR 48 N 0.71 1.27 0.00 -0.54 2.02 -0.89 -3.13 112.91 112.35 2k49 h THR 48 Ca 0.21 -1.21 -0.10 0.00 0.77 0.00 0.00 66.41 66.08 2k49 h THR 48 Cb -0.03 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 2k49 h THR 48 CO -0.07 0.43 -0.49 0.78 0.37 0.00 0.00 175.52 176.54 2k49 h ASN 49 N 0.90 0.00 -0.98 4.18 2.35 -0.29 -3.37 115.58 118.37 2k49 h ASN 49 Ca 0.15 0.00 0.17 0.00 -0.55 0.00 0.00 56.30 56.07 2k49 h ASN 49 Cb 0.62 0.00 -0.17 0.00 0.05 0.00 0.00 38.32 38.83 2k49 h ASN 49 CO 0.04 0.49 -0.34 -1.28 -1.65 0.00 0.00 177.43 174.70 2k49 h SER 50 N 0.00 -1.25 -0.13 5.81 0.87 -0.67 0.12 113.55 118.31 2k49 h SER 50 Ca -0.00 0.30 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 2k49 h SER 50 Cb 0.98 0.70 0.00 0.00 -0.44 0.00 0.00 62.40 63.64 2k49 h SER 50 CO 0.06 -0.30 0.00 -0.81 -0.53 0.00 0.00 176.83 175.25 2k49 n PRO 51 N -5.52 1.38 -3.81 2.24 -0.04 -1.26 -4.62 135.00 123.37 2k49 n PRO 51 Ca 0.12 -0.58 -0.36 0.00 -0.04 0.00 0.00 63.50 62.63 2k49 n PRO 51 Cb 0.43 -1.24 -0.13 0.00 -0.04 0.00 0.00 33.50 32.52 2k49 n PRO 51 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2k49 s ILE 52 N -1.84 3.38 0.33 0.52 1.01 0.42 -4.97 121.20 120.04 2k49 s ILE 52 Ca 0.21 -1.48 0.03 0.00 0.00 0.00 0.00 60.65 59.42 2k49 s ILE 52 Cb 0.11 -3.03 0.29 0.00 0.01 0.00 0.00 42.46 39.83 2k49 s ILE 52 CO 0.16 -0.30 1.92 -0.08 0.00 0.00 0.00 174.94 176.65 2k49 h GLU 53 N 8.10 0.89 0.00 2.79 4.57 -1.86 -1.95 114.58 127.12 2k49 h GLU 53 Ca -0.20 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 57.93 2k49 h GLU 53 Cb 1.07 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.46 2k49 h GLU 53 CO 0.61 0.59 0.01 0.00 -1.18 0.00 0.00 179.01 179.04 2k49 h ALA 54 N 1.55 1.01 0.00 2.92 0.00 -1.93 -0.28 119.26 122.53 2k49 h ALA 54 Ca 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 2k49 h ALA 54 Cb 0.26 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 2k49 h ALA 54 CO -0.14 -0.01 -1.00 0.00 0.00 0.00 0.00 179.25 178.10 2k49 h ARG 55 N 0.00 0.00 -4.90 0.00 2.47 -1.63 -3.43 114.38 106.90 2k49 h ARG 55 Ca 0.00 0.00 -0.69 0.00 -1.26 0.00 0.00 59.98 58.03 2k49 h ARG 55 Cb 0.03 0.00 -0.18 0.00 -1.65 0.00 0.00 29.97 28.16 2k49 h ARG 55 CO 0.00 0.04 0.49 0.71 0.56 0.00 0.00 179.97 181.77 2k49 s TYR 56 N -3.30 3.06 -0.49 3.04 2.02 -0.12 -0.71 117.35 120.85 2k49 s TYR 56 Ca -0.00 -1.15 -0.17 0.00 -0.37 0.00 0.00 57.07 55.37 2k49 s TYR 56 Cb 0.09 -4.16 0.06 0.00 -0.40 0.00 0.00 41.96 37.55 2k49 s TYR 56 CO 0.79 -1.42 0.52 0.00 -1.57 0.00 0.00 175.55 173.87 2k49 s ALA 57 N 2.72 3.46 -0.19 3.71 0.00 -0.19 -4.92 121.76 126.35 2k49 s ALA 57 Ca 0.23 -1.88 -0.08 0.00 0.00 0.00 0.00 51.96 50.23 2k49 s ALA 57 Cb -0.13 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 2k49 s ALA 57 CO -0.01 -1.87 0.09 -1.59 0.00 0.00 0.00 175.76 172.38 2k49 s LYS 58 N 2.19 4.03 0.17 0.00 0.00 -1.26 -0.41 119.74 124.46 2k49 s LYS 58 Ca 0.10 -0.31 0.02 0.00 0.00 0.00 0.00 55.97 55.79 2k49 s LYS 58 Cb -0.21 -3.30 -0.01 0.00 0.00 0.00 0.00 37.83 34.31 2k49 s LYS 58 CO 0.10 0.24 0.09 0.39 0.00 0.00 0.00 175.35 176.17 2k49 n GLU 59 N 3.65 0.55 -4.73 1.78 1.02 0.15 -4.97 120.64 118.10 2k49 n GLU 59 Ca -0.16 -1.55 -0.30 0.00 -0.02 0.00 0.00 57.16 55.13 2k49 n GLU 59 Cb 0.52 1.00 -0.17 0.00 -0.02 0.00 0.00 31.44 32.78 2k49 n GLU 59 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2k49 s VAL 60 N -2.38 1.72 0.80 2.62 1.01 -1.26 -0.98 120.40 121.92 2k49 s VAL 60 Ca 0.13 -0.79 -0.13 0.00 0.00 0.00 0.00 61.98 61.18 2k49 s VAL 60 Cb 0.01 -1.53 0.08 0.00 0.00 0.00 0.00 36.38 34.93 2k49 s VAL 60 CO 0.09 0.48 1.19 0.00 0.00 0.00 0.00 175.10 176.87 2k49 s ALA 61 N 0.73 1.90 0.48 5.51 0.00 0.30 -4.78 121.76 125.90 2k49 s ALA 61 Ca -0.11 0.79 0.20 0.00 0.00 0.00 0.00 51.96 52.84 2k49 s ALA 61 Cb -0.16 -3.47 1.22 0.00 0.00 0.00 0.00 23.12 20.72 2k49 s ALA 61 CO 0.02 -2.20 1.97 1.57 0.00 0.00 0.00 175.76 177.12 2k49 h LYS 62 N -0.85 0.20 -0.66 0.00 2.10 -2.00 0.34 116.57 115.68 2k49 h LYS 62 Ca -0.46 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 2k49 h LYS 62 Cb 1.29 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 2k49 h LYS 62 CO 0.47 0.13 0.00 0.09 -2.00 0.00 0.00 179.45 178.14 2k49 n ASN 63 N -4.43 2.00 -2.78 7.07 3.02 -1.26 -4.91 115.26 113.97 2k49 n ASN 63 Ca 0.11 -2.18 -0.00 0.00 -0.03 0.00 0.00 54.58 52.48 2k49 n ASN 63 Cb 0.55 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 39.29 2k49 n ASN 63 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2k49 n ASP 64 N 0.17 -6.80 -3.69 6.41 2.03 0.12 -5.07 116.55 109.72 2k49 n ASP 64 Ca 0.08 -0.04 -0.27 0.00 0.52 0.00 0.00 54.79 55.08 2k49 n ASP 64 Cb 0.42 -4.57 -0.17 0.00 -0.72 0.00 0.00 41.12 36.08 2k49 n ASP 64 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2k49 s LYS 65 N -2.98 0.42 -0.20 -0.67 3.01 -1.20 -4.90 119.74 113.22 2k49 s LYS 65 Ca 0.01 -0.27 -0.29 0.00 -1.01 0.00 0.00 55.97 54.40 2k49 s LYS 65 Cb -0.00 -1.96 -0.01 0.00 -1.01 0.00 0.00 37.83 34.85 2k49 s LYS 65 CO 0.62 -0.64 1.32 -1.25 0.51 0.00 0.00 175.35 175.91 2k49 s PRO 66 N 1.97 4.11 0.31 -1.68 0.04 -1.26 -0.54 135.00 137.95 2k49 s PRO 66 Ca 0.00 1.57 0.07 0.00 0.04 0.00 0.00 61.00 62.68 2k49 s PRO 66 Cb -0.16 -3.83 -0.02 0.00 0.04 0.00 0.00 34.50 30.52 2k49 s PRO 66 CO -0.08 -0.87 0.24 2.48 0.04 0.00 0.00 177.00 178.81 2k49 n TYR 67 N 7.04 -0.60 -3.99 0.56 4.11 -0.16 -3.51 117.16 120.61 2k49 n TYR 67 Ca 0.15 -2.50 -0.10 0.00 -0.00 0.00 0.00 57.90 55.44 2k49 n TYR 67 Cb 0.45 0.23 -0.12 0.00 -0.00 0.00 0.00 39.34 39.90 2k49 n TYR 67 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.86 176.27 2k49 s PHE 68 N -3.18 0.32 0.13 -3.48 -0.71 -1.26 -0.67 117.98 109.13 2k49 s PHE 68 Ca 0.34 -0.45 0.06 0.00 -1.04 0.00 0.00 56.93 55.83 2k49 s PHE 68 Cb 0.02 -0.22 -0.04 0.00 -1.21 0.00 0.00 43.02 41.57 2k49 s PHE 68 CO 0.24 -0.14 0.03 -0.80 -1.34 0.00 0.00 175.22 173.20 2k49 s ASN 69 N -1.28 5.06 -0.25 1.98 -0.87 0.45 -1.37 114.94 118.66 2k49 s ASN 69 Ca -0.12 -0.23 -0.04 0.00 -1.57 0.00 0.00 52.86 50.90 2k49 s ASN 69 Cb -0.09 -1.20 0.01 0.00 -0.02 0.00 0.00 41.25 39.95 2k49 s ASN 69 CO -0.01 0.13 -0.01 -0.22 -2.57 0.00 0.00 177.10 174.42 2k49 s LEU 70 N -2.65 3.26 -0.00 0.60 2.96 0.46 -1.02 118.68 122.28 2k49 s LEU 70 Ca 0.27 -0.63 -0.00 0.00 -0.22 0.00 0.00 54.13 53.55 2k49 s LEU 70 Cb -0.11 -1.76 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 2k49 s LEU 70 CO 0.19 -0.10 0.07 -0.54 -1.32 0.00 0.00 176.35 174.66 2k49 s LYS 71 N 1.44 3.04 0.87 1.98 1.02 0.11 -1.19 119.74 127.02 2k49 s LYS 71 Ca 0.03 -0.50 -0.11 0.00 0.02 0.00 0.00 55.97 55.42 2k49 s LYS 71 Cb -0.16 -2.84 0.17 0.00 -0.52 0.00 0.00 37.83 34.48 2k49 s LYS 71 CO -0.02 0.64 1.20 0.00 -0.92 0.00 0.00 175.35 176.26 2k49 s ALA 72 N -1.19 2.76 0.30 5.17 0.00 -0.34 -4.70 121.76 123.77 2k49 s ALA 72 Ca 0.23 -1.37 0.06 0.00 0.00 0.00 0.00 51.96 50.87 2k49 s ALA 72 Cb -0.12 -2.51 0.74 0.00 0.00 0.00 0.00 23.12 21.23 2k49 s ALA 72 CO 0.14 -2.07 1.78 0.00 0.00 0.00 0.00 175.76 175.60 2k49 h ALA 73 N -1.23 1.67 0.00 0.00 0.00 -1.95 0.32 119.26 118.07 2k49 h ALA 73 Ca -0.42 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2k49 h ALA 73 Cb 1.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2k49 h ALA 73 CO 0.40 -0.05 0.00 -1.71 0.00 0.00 0.00 179.25 177.89 2k49 n ASN 74 N -4.77 0.00 -2.70 0.00 5.15 -1.26 -4.89 115.26 106.80 2k49 n ASN 74 Ca 0.23 -1.59 -0.06 0.00 -0.60 0.00 0.00 54.58 52.56 2k49 n ASN 74 Cb 0.57 0.00 0.03 0.00 -0.53 0.00 0.00 39.78 39.85 2k49 n ASN 74 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 2k49 n HIS 75 N -0.62 -1.94 -4.25 1.20 8.25 0.11 -5.07 115.22 112.92 2k49 n HIS 75 Ca 0.05 0.70 -0.17 0.00 -0.26 0.00 0.00 57.72 58.05 2k49 n HIS 75 Cb 0.02 -3.54 -0.14 0.00 1.12 0.00 0.00 29.99 27.45 2k49 n HIS 75 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 2k49 s GLN 76 N -3.56 0.59 -0.70 -0.41 -2.07 -1.24 -4.88 119.66 107.38 2k49 s GLN 76 Ca 0.19 -0.32 -0.26 0.00 -1.82 0.00 0.00 55.36 53.14 2k49 s GLN 76 Cb -0.02 -0.55 -0.01 0.00 -1.09 0.00 0.00 33.01 31.33 2k49 s GLN 76 CO 0.53 0.15 1.76 0.42 -1.32 0.00 0.00 175.29 176.83 2k49 s ILE 77 N -0.31 3.46 -0.17 3.63 -1.09 -1.26 -1.20 121.20 124.26 2k49 s ILE 77 Ca 0.02 0.09 0.21 0.00 -2.23 0.00 0.00 60.65 58.74 2k49 s ILE 77 Cb -0.04 -4.17 -0.10 0.00 -1.58 0.00 0.00 42.46 36.57 2k49 s ILE 77 CO -0.00 -1.13 0.85 2.30 -1.23 0.00 0.00 174.94 175.74 2k49 n ILE 78 N 7.17 0.64 -3.82 2.92 -5.35 -0.33 -4.93 119.36 115.66 2k49 n ILE 78 Ca 0.21 -0.58 -0.12 0.00 -0.27 0.00 0.00 62.75 62.00 2k49 n ILE 78 Cb 0.51 -0.36 -0.10 0.00 -1.74 0.00 0.00 39.64 37.95 2k49 n ILE 78 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2k49 s GLY 79 N -4.52 -0.05 -0.07 3.28 0.00 -0.95 -4.58 107.32 100.42 2k49 s GLY 79 Ca -0.03 0.13 -0.00 0.00 0.00 0.00 0.00 44.72 44.82 2k49 s GLY 79 CO 0.82 -0.02 -0.04 -1.59 0.00 0.00 0.00 173.10 172.27 2k49 s THR 80 N -1.14 0.62 0.68 0.90 2.01 -0.29 -0.41 115.64 118.02 2k49 s THR 80 Ca -0.12 -0.08 -0.11 0.00 0.31 0.00 0.00 61.69 61.69 2k49 s THR 80 Cb -0.06 -0.69 0.00 0.00 0.01 0.00 0.00 72.50 71.76 2k49 s THR 80 CO 0.02 0.28 1.06 -0.94 -0.69 0.00 0.00 174.62 174.35 2k49 s SER 81 N 1.51 5.48 0.74 3.53 1.04 -0.47 -0.61 113.70 124.92 2k49 s SER 81 Ca -0.01 1.62 -0.11 0.00 0.48 0.00 0.00 55.95 57.93 2k49 s SER 81 Cb -0.13 -2.50 0.04 0.00 0.10 0.00 0.00 66.02 63.53 2k49 s SER 81 CO -0.04 -1.38 1.08 -1.10 0.98 0.00 0.00 173.24 172.79 2k49 s GLN 82 N -4.96 2.54 -0.12 4.02 -0.21 -1.24 -4.72 119.66 114.96 2k49 s GLN 82 Ca 0.58 0.70 -0.29 0.00 0.02 0.00 0.00 55.36 56.37 2k49 s GLN 82 Cb -0.14 -1.96 -0.04 0.00 1.00 0.00 0.00 33.01 31.87 2k49 s GLN 82 CO 0.53 -1.32 1.59 0.00 -2.12 0.00 0.00 175.29 173.97 2k49 s MET 83 N -5.16 4.06 0.65 2.91 0.23 -1.26 -4.75 119.30 115.98 2k49 s MET 83 Ca 0.59 1.95 -0.02 0.00 -1.03 0.00 0.00 55.69 57.18 2k49 s MET 83 Cb -0.13 -3.97 0.07 0.00 -1.53 0.00 0.00 34.83 29.26 2k49 s MET 83 CO 0.54 -0.97 0.91 0.71 -2.03 0.00 0.00 175.02 174.17 2k49 s TYR 84 N 4.36 2.51 -0.04 3.16 2.02 -1.23 -5.02 117.35 123.10 2k49 s TYR 84 Ca 0.70 0.05 -0.00 0.00 -0.37 0.00 0.00 57.07 57.45 2k49 s TYR 84 Cb -0.29 -2.97 -0.00 0.00 -0.40 0.00 0.00 41.96 38.30 2k49 s TYR 84 CO 0.27 -1.28 0.00 0.66 -1.57 0.00 0.00 175.55 173.63 2k49 h SER 85 N -0.31 -0.00 -0.92 2.29 4.64 -1.95 -3.36 113.55 113.94 2k49 h SER 85 Ca -0.41 0.00 -0.63 0.00 -0.47 0.00 0.00 61.79 60.27 2k49 h SER 85 Cb 1.29 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.27 2k49 h SER 85 CO 0.51 0.19 -0.50 -0.44 -0.87 0.00 0.00 176.83 175.72 2k49 s SER 86 N -3.98 4.20 0.33 4.97 0.01 -1.26 -4.60 113.70 113.37 2k49 s SER 86 Ca -0.00 -1.42 0.01 0.00 1.31 0.00 0.00 55.95 55.84 2k49 s SER 86 Cb 0.00 0.11 0.57 0.00 0.21 0.00 0.00 66.02 66.91 2k49 s SER 86 CO 0.00 -0.74 1.99 0.71 0.41 0.00 0.00 173.24 175.61 2k49 h THR 87 N 1.37 1.17 -0.55 1.44 1.35 -1.95 -2.48 112.91 113.27 2k49 h THR 87 Ca -0.43 -0.33 0.07 0.00 -0.55 0.00 0.00 66.41 65.17 2k49 h THR 87 Cb 1.28 0.13 -0.06 0.00 -1.73 0.00 0.00 68.15 67.78 2k49 h THR 87 CO 0.73 0.17 0.24 0.00 -0.25 0.00 0.00 175.52 176.41 2k49 h ALA 88 N 1.56 0.70 -0.76 6.62 0.00 -1.97 0.21 119.26 125.62 2k49 h ALA 88 Ca 0.27 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 2k49 h ALA 88 Cb -0.09 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 2k49 h ALA 88 CO -0.06 -0.14 0.45 0.00 0.00 0.00 0.00 179.25 179.50 2k49 h ALA 89 N 1.33 1.36 -0.08 0.00 0.00 -1.85 -0.07 119.26 119.95 2k49 h ALA 89 Ca 0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2k49 h ALA 89 Cb 0.24 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 2k49 h ALA 89 CO -0.22 0.54 0.02 -0.09 0.00 0.00 0.00 179.25 179.50 2k49 h ARG 90 N 1.05 0.13 -0.75 0.00 2.43 -1.10 -0.89 114.38 115.25 2k49 h ARG 90 Ca 0.27 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.48 2k49 h ARG 90 Cb -0.03 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 29.46 2k49 h ARG 90 CO -0.05 0.34 0.49 0.22 -1.51 0.00 0.00 179.97 179.46 2k49 h ASP 91 N -0.10 0.68 -0.51 -3.80 1.82 -0.73 -0.83 116.42 112.94 2k49 h ASP 91 Ca 0.02 0.01 -0.03 0.00 -0.39 0.00 0.00 57.03 56.65 2k49 h ASP 91 Cb 0.27 -0.14 -0.02 0.00 0.68 0.00 0.00 39.33 40.12 2k49 h ASP 91 CO 0.00 0.43 0.22 -1.13 -1.61 0.00 0.00 179.24 177.15 2k49 h ASN 92 N 0.77 0.69 -0.51 2.28 -1.24 -0.74 -2.12 115.58 114.70 2k49 h ASN 92 Ca 0.33 -0.16 0.04 0.00 0.71 0.00 0.00 56.30 57.22 2k49 h ASN 92 Cb 0.29 -0.18 -0.04 0.00 0.73 0.00 0.00 38.32 39.13 2k49 h ASN 92 CO -0.11 0.66 0.28 1.23 -1.29 0.00 0.00 177.43 178.19 2k49 h GLY 93 N 0.68 0.72 0.93 1.57 0.00 0.16 -2.09 103.07 105.03 2k49 h GLY 93 Ca 0.17 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 2k49 h GLY 93 CO -0.02 0.15 -0.23 -2.22 0.00 0.00 0.00 176.54 174.23 2k49 h ILE 94 N 0.55 0.53 -0.23 2.60 2.04 -1.05 -2.11 117.51 119.83 2k49 h ILE 94 Ca 0.22 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.05 2k49 h ILE 94 Cb 0.08 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 2k49 h ILE 94 CO -0.13 0.00 0.04 0.07 0.00 0.00 0.00 178.15 178.13 2k49 h LYS 95 N -0.59 0.33 -0.06 2.37 2.10 -1.34 -0.34 116.57 119.04 2k49 h LYS 95 Ca -0.05 -0.04 -0.02 0.00 -2.00 0.00 0.00 60.65 58.54 2k49 h LYS 95 Cb 0.47 -0.06 -0.00 0.00 -0.90 0.00 0.00 32.23 31.74 2k49 h LYS 95 CO 0.06 0.32 -0.04 0.66 -2.00 0.00 0.00 179.45 178.45 2k49 h SER 96 N 0.33 0.14 -0.11 7.07 4.64 -1.22 -1.75 113.55 122.64 2k49 h SER 96 Ca 0.08 -0.46 -0.08 0.00 -0.47 0.00 0.00 61.79 60.86 2k49 h SER 96 Cb 0.16 -0.04 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 2k49 h SER 96 CO -0.00 0.56 -0.18 1.62 -0.87 0.00 0.00 176.83 177.96 2k49 h VAL 97 N -0.29 1.25 -0.69 0.95 3.04 -1.17 0.25 116.25 119.58 2k49 h VAL 97 Ca 0.01 -1.13 -0.00 0.00 -1.01 0.00 0.00 66.70 64.57 2k49 h VAL 97 Cb 0.52 1.23 -0.03 0.00 -2.01 0.00 0.00 31.29 30.99 2k49 h VAL 97 CO 0.01 0.37 0.43 0.24 -1.01 0.00 0.00 177.57 177.60 2k49 h MET 98 N 0.46 0.93 0.23 4.17 2.07 -1.04 0.35 114.93 122.10 2k49 h MET 98 Ca 0.08 -0.07 -0.33 0.00 -2.07 0.00 0.00 59.70 57.30 2k49 h MET 98 Cb 0.57 -0.20 0.03 0.00 -1.87 0.00 0.00 31.60 30.13 2k49 h MET 98 CO 0.04 0.64 -1.48 0.93 1.07 0.00 0.00 176.91 178.11 2k49 h GLU 99 N 0.95 0.49 0.00 1.72 4.39 -0.60 -3.40 114.58 118.12 2k49 h GLU 99 Ca 0.25 -0.84 -0.11 0.00 0.34 0.00 0.00 59.36 59.00 2k49 h GLU 99 Cb -0.05 0.31 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 2k49 h GLU 99 CO -0.05 1.40 -2.01 0.09 -1.16 0.00 0.00 179.01 177.28 2k49 n ASN 100 N -3.68 0.56 0.00 1.42 3.02 0.80 0.11 115.26 117.50 2k49 n ASN 100 Ca -0.16 0.00 0.04 0.00 -0.03 0.00 0.00 54.58 54.43 2k49 n ASN 100 Cb 1.09 1.57 0.22 0.00 -0.61 0.00 0.00 39.78 42.05 2k49 n ASN 100 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k49 n GLY 101 N 1.57 -0.46 0.15 7.41 0.00 0.12 -2.30 105.19 111.68 2k49 n GLY 101 Ca -0.12 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 45.94 2k49 n GLY 101 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k49 h LYS 102 N 0.00 0.00 -7.34 1.61 1.57 -1.78 -3.16 116.57 107.47 2k49 h LYS 102 Ca 0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 2k49 h LYS 102 Cb 0.05 0.00 0.11 0.00 0.08 0.00 0.00 32.23 32.47 2k49 h LYS 102 CO 0.00 0.14 0.35 -0.08 -0.57 0.00 0.00 179.45 179.29 2k49 s THR 103 N -3.17 3.66 -2.04 -0.16 -1.32 -0.97 -4.91 115.64 106.73 2k49 s THR 103 Ca 0.03 0.54 0.20 0.00 -1.21 0.00 0.00 61.69 61.25 2k49 s THR 103 Cb 0.07 -3.20 0.42 0.00 -1.51 0.00 0.00 72.50 68.28 2k49 s THR 103 CO 0.74 -0.71 1.35 0.35 -2.21 0.00 0.00 174.62 174.15 2k49 n THR 104 N -3.31 0.63 -1.83 5.08 -2.24 -1.26 -4.94 114.28 106.41 2k49 n THR 104 Ca 0.08 -0.81 -0.39 0.00 -2.27 0.00 0.00 64.05 60.66 2k49 n THR 104 Cb 0.54 0.85 -0.03 0.00 -2.10 0.00 0.00 70.33 69.58 2k49 n THR 104 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2k49 s THR 105 N -1.27 3.22 -0.10 4.28 2.01 -1.26 -4.95 115.64 117.57 2k49 s THR 105 Ca 0.36 0.16 0.01 0.00 0.31 0.00 0.00 61.69 62.53 2k49 s THR 105 Cb 0.20 -3.48 0.02 0.00 0.01 0.00 0.00 72.50 69.25 2k49 s THR 105 CO 0.28 -0.43 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.05 2k49 s ILE 106 N 9.71 1.16 -0.23 1.82 1.01 -1.26 -1.18 121.20 132.24 2k49 s ILE 106 Ca 0.83 -0.41 -0.16 0.00 0.00 0.00 0.00 60.65 60.91 2k49 s ILE 106 Cb -0.18 -1.12 -0.04 0.00 0.01 0.00 0.00 42.46 41.14 2k49 s ILE 106 CO 0.26 0.38 0.41 -0.54 0.00 0.00 0.00 174.94 175.45 2k49 s LYS 107 N 1.33 4.12 -0.22 2.79 1.02 0.12 -4.96 119.74 123.93 2k49 s LYS 107 Ca -0.02 0.17 -0.09 0.00 0.02 0.00 0.00 55.97 56.06 2k49 s LYS 107 Cb -0.14 -3.58 -0.04 0.00 -0.52 0.00 0.00 37.83 33.55 2k49 s LYS 107 CO -0.05 -0.14 0.11 0.34 -0.92 0.00 0.00 175.35 174.69 2k49 s ASP 108 N 1.27 5.81 -0.10 2.83 -1.08 -1.26 -0.81 116.67 123.32 2k49 s ASP 108 Ca 0.18 0.06 0.14 0.00 -0.52 0.00 0.00 52.55 52.41 2k49 s ASP 108 Cb -0.15 -2.03 0.41 0.00 -1.46 0.00 0.00 42.92 39.69 2k49 s ASP 108 CO 0.09 0.09 1.33 0.18 0.52 0.00 0.00 175.17 177.38 2k49 n LEU 109 N 4.10 3.38 -0.12 -1.34 4.77 -0.47 -4.64 117.00 122.67 2k49 n LEU 109 Ca -0.16 -2.59 -0.16 0.00 -0.03 0.00 0.00 56.01 53.07 2k49 n LEU 109 Cb 0.52 -0.40 -0.12 0.00 -2.33 0.00 0.00 43.42 41.09 2k49 n LEU 109 CO 0.35 0.69 -1.29 0.35 -1.33 0.00 0.00 177.39 176.15 2k49 n THR 110 N -0.16 1.43 0.18 -5.08 -2.24 -1.26 -4.37 114.28 102.78 2k49 n THR 110 Ca 0.17 -0.60 0.05 0.00 -2.27 0.00 0.00 64.05 61.40 2k49 n THR 110 Cb 0.68 -1.25 0.31 0.00 -2.10 0.00 0.00 70.33 67.97 2k49 n THR 110 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2k49 h LEU 111 N 0.00 0.00-10.04 3.22 3.38 -1.96 -3.46 115.31 106.44 2k49 h LEU 111 Ca -0.56 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 56.92 2k49 h LEU 111 Cb 1.92 0.00 0.05 0.00 0.09 0.00 0.00 40.66 42.72 2k49 h LEU 111 CO -0.07 0.40 0.42 -1.61 0.09 0.00 0.00 178.44 177.68 2k49 s GLU 112 N -3.58 3.71 -1.44 1.13 0.41 -1.26 -4.91 118.70 112.76 2k49 s GLU 112 Ca 0.00 1.55 -0.14 0.00 -0.41 0.00 0.00 54.97 55.98 2k49 s GLU 112 Cb 0.11 -2.20 -0.00 0.00 -1.78 0.00 0.00 34.13 30.25 2k49 s GLU 112 CO 0.70 -0.54 2.36 1.58 -0.49 0.00 0.00 175.26 178.87 2k49 n HIS 113 N -0.82 3.16 -1.52 1.61 -0.00 -1.26 -4.82 115.22 111.56 2k49 n HIS 113 Ca 0.09 -2.91 0.00 0.00 -0.00 0.00 0.00 57.72 54.90 2k49 n HIS 113 Cb 0.51 -2.48 0.00 0.00 -0.00 0.00 0.00 29.99 28.02 2k49 n HIS 113 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2k49 n HIS 114 N 5.64 -4.20 -3.76 1.57 8.25 -1.26 -5.06 115.22 116.39 2k49 n HIS 114 Ca 0.57 2.25 -0.13 0.00 -0.26 0.00 0.00 57.72 60.15 2k49 n HIS 114 Cb 0.35 -3.43 -0.13 0.00 1.12 0.00 0.00 29.99 27.90 2k49 n HIS 114 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2k49 s HIS 115 N -3.75 -0.27 0.55 4.41 3.76 -1.26 -5.15 115.29 113.58 2k49 s HIS 115 Ca 0.00 0.66 -0.21 0.00 -0.15 0.00 0.00 55.06 55.36 2k49 s HIS 115 Cb 0.00 0.05 -0.05 0.00 1.11 0.00 0.00 32.58 33.69 2k49 s HIS 115 CO 0.00 -0.17 1.33 -3.38 -0.85 0.00 0.00 174.74 171.67 2k49 s HIS 116 N 0.72 2.31 0.21 1.40 -3.43 -1.26 -5.04 115.29 110.21 2k49 s HIS 116 Ca -0.05 1.41 -0.20 0.00 -0.80 0.00 0.00 55.06 55.42 2k49 s HIS 116 Cb -0.06 -3.74 0.04 0.00 -1.43 0.00 0.00 32.58 27.38 2k49 s HIS 116 CO -0.04 -2.76 0.60 -3.38 -2.00 0.00 0.00 174.74 167.16 2k49 s HIS 117 N -1.35 -0.24 -2.00 0.38 -3.43 -1.26 -5.32 115.29 102.07 2k49 s HIS 117 Ca 0.73 -0.11 0.09 0.00 -0.80 0.00 0.00 55.06 54.97 2k49 s HIS 117 Cb -0.39 0.53 0.57 0.00 -1.43 0.00 0.00 32.58 31.86 2k49 s HIS 117 CO 0.45 -1.00 1.01 -2.39 -2.00 0.00 0.00 174.74 170.81