#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 0.80 0.00 3.17 0.01 -1.26 -4.49 113.70 111.93 2k49 s SER 2 Ca 0.00 0.52 0.00 0.00 1.31 0.00 0.00 55.95 57.78 2k49 s SER 2 Cb 0.00 -0.69 0.00 0.00 0.21 0.00 0.00 66.02 65.54 2k49 s SER 2 CO 0.00 -4.18 0.00 0.61 0.41 0.00 0.00 173.24 170.08 2k49 n GLY 3 N -1.12 2.05 3.49 3.44 0.00 -1.26 -4.31 105.19 107.48 2k49 n GLY 3 Ca 0.15 -2.13 -0.09 0.00 0.00 0.00 0.00 46.02 43.94 2k49 n GLY 3 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2k49 s TRP 4 N -1.88 -0.40 -0.19 1.61 -2.14 -1.12 -4.62 118.94 110.20 2k49 s TRP 4 Ca 0.00 0.23 -0.04 0.00 2.66 0.00 0.00 56.10 58.95 2k49 s TRP 4 Cb 0.00 0.55 -0.02 0.00 -3.10 0.00 0.00 33.47 30.90 2k49 s TRP 4 CO 0.00 -0.68 -0.02 0.71 -2.66 0.00 0.00 176.95 174.30 2k49 s TYR 5 N -3.37 3.02 -0.33 1.66 1.51 -0.28 -2.18 117.35 117.37 2k49 s TYR 5 Ca 0.04 -0.48 -0.12 0.00 -1.01 0.00 0.00 57.07 55.51 2k49 s TYR 5 Cb -0.01 -2.04 -0.01 0.00 -0.11 0.00 0.00 41.96 39.79 2k49 s TYR 5 CO -0.10 -0.22 0.21 -1.21 -1.11 0.00 0.00 175.55 173.12 2k49 s GLU 6 N 0.85 3.38 -0.20 -0.62 2.02 -0.21 -0.55 118.70 123.38 2k49 s GLU 6 Ca -0.00 -0.71 -0.12 0.00 0.02 0.00 0.00 54.97 54.16 2k49 s GLU 6 Cb -0.14 -3.71 -0.05 0.00 0.10 0.00 0.00 34.13 30.33 2k49 s GLU 6 CO 0.02 -0.45 0.24 -1.17 0.02 0.00 0.00 175.26 173.91 2k49 s LEU 7 N 1.67 4.18 0.10 1.80 2.96 -0.19 -1.33 118.68 127.87 2k49 s LEU 7 Ca 0.05 0.33 0.03 0.00 -0.22 0.00 0.00 54.13 54.31 2k49 s LEU 7 Cb -0.17 -2.26 -0.04 0.00 0.50 0.00 0.00 46.19 44.22 2k49 s LEU 7 CO 0.09 0.07 -0.08 -0.44 -1.32 0.00 0.00 176.35 174.66 2k49 s SER 8 N 0.76 1.25 -0.21 3.68 0.01 0.32 -0.11 113.70 119.40 2k49 s SER 8 Ca 0.12 -0.91 -0.04 0.00 1.31 0.00 0.00 55.95 56.43 2k49 s SER 8 Cb -0.13 0.06 -0.01 0.00 0.21 0.00 0.00 66.02 66.14 2k49 s SER 8 CO 0.04 -0.38 -0.03 -0.75 0.41 0.00 0.00 173.24 172.53 2k49 s LYS 9 N -3.35 3.43 1.01 12.44 2.20 -1.26 -1.06 119.74 133.15 2k49 s LYS 9 Ca 0.09 -0.60 -0.15 0.00 -0.36 0.00 0.00 55.97 54.94 2k49 s LYS 9 Cb 0.01 -3.02 0.20 0.00 -1.51 0.00 0.00 37.83 33.51 2k49 s LYS 9 CO -0.03 -0.14 1.17 0.45 -0.36 0.00 0.00 175.35 176.44 2k49 s SER 10 N 1.35 2.62 0.31 1.43 0.15 0.74 -4.86 113.70 115.45 2k49 s SER 10 Ca 0.04 0.71 0.07 0.00 0.70 0.00 0.00 55.95 57.47 2k49 s SER 10 Cb -0.14 -1.07 0.77 0.00 -1.71 0.00 0.00 66.02 63.87 2k49 s SER 10 CO -0.02 -3.08 1.78 -1.28 1.20 0.00 0.00 173.24 171.84 2k49 h SER 11 N -1.87 0.76 -0.11 5.45 0.87 -2.00 0.87 113.55 117.51 2k49 h SER 11 Ca -0.48 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 2k49 h SER 11 Cb 1.30 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 2k49 h SER 11 CO 0.48 0.26 0.00 -3.20 -0.53 0.00 0.00 176.83 173.84 2k49 n ASN 12 N -4.76 1.82 -0.87 6.23 5.15 -1.26 -4.84 115.26 116.73 2k49 n ASN 12 Ca 0.24 -2.16 -0.11 0.00 -0.60 0.00 0.00 54.58 51.94 2k49 n ASN 12 Cb 0.60 -0.50 -0.05 0.00 -0.53 0.00 0.00 39.78 39.30 2k49 n ASN 12 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2k49 n ASP 13 N 0.10 -5.66 -4.84 1.20 8.00 0.30 -4.98 116.55 110.68 2k49 n ASP 13 Ca 0.05 0.28 -0.34 0.00 0.71 0.00 0.00 54.79 55.50 2k49 n ASP 13 Cb 0.41 -4.16 -0.06 0.00 -0.02 0.00 0.00 41.12 37.29 2k49 n ASP 13 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2k49 s GLN 14 N -2.93 4.09 -0.13 -1.24 -0.21 -1.26 -4.78 119.66 113.20 2k49 s GLN 14 Ca 0.00 0.74 -0.06 0.00 0.02 0.00 0.00 55.36 56.06 2k49 s GLN 14 Cb 0.00 -2.59 -0.04 0.00 1.00 0.00 0.00 33.01 31.38 2k49 s GLN 14 CO 0.00 0.24 0.08 -0.06 -2.12 0.00 0.00 175.29 173.43 2k49 s PHE 15 N -1.82 3.38 0.05 0.91 0.40 -0.42 -0.19 117.98 120.29 2k49 s PHE 15 Ca 0.50 0.31 0.01 0.00 -0.60 0.00 0.00 56.93 57.15 2k49 s PHE 15 Cb -0.12 -1.96 -0.03 0.00 0.51 0.00 0.00 43.02 41.42 2k49 s PHE 15 CO 0.19 0.48 -0.05 -1.59 0.70 0.00 0.00 175.22 174.94 2k49 s LYS 16 N -0.50 0.58 0.03 0.44 -2.85 -0.22 -0.53 119.74 116.67 2k49 s LYS 16 Ca 0.11 -0.98 0.02 0.00 -1.00 0.00 0.00 55.97 54.11 2k49 s LYS 16 Cb -0.12 -0.05 -0.02 0.00 -2.06 0.00 0.00 37.83 35.58 2k49 s LYS 16 CO 0.02 -0.03 -0.07 -0.59 0.10 0.00 0.00 175.35 174.78 2k49 s PHE 17 N -2.59 0.59 0.05 1.78 -0.71 -1.26 -0.52 117.98 115.32 2k49 s PHE 17 Ca -0.02 -0.41 0.08 0.00 -1.04 0.00 0.00 56.93 55.55 2k49 s PHE 17 Cb -0.02 -0.36 -0.03 0.00 -1.21 0.00 0.00 43.02 41.40 2k49 s PHE 17 CO -0.04 -0.07 -0.23 0.14 -1.34 0.00 0.00 175.22 173.68 2k49 s VAL 18 N -1.09 1.84 -0.26 -2.49 -7.23 -0.44 -1.68 120.40 109.04 2k49 s VAL 18 Ca -0.08 -1.28 -0.07 0.00 -1.81 0.00 0.00 61.98 58.75 2k49 s VAL 18 Cb -0.08 -1.59 -0.02 0.00 0.56 0.00 0.00 36.38 35.25 2k49 s VAL 18 CO 0.00 0.26 0.05 -0.22 -0.31 0.00 0.00 175.10 174.88 2k49 s LEU 19 N -1.22 3.45 -0.15 1.32 2.96 0.38 -1.05 118.68 124.38 2k49 s LEU 19 Ca 0.09 -0.36 -0.05 0.00 -0.22 0.00 0.00 54.13 53.58 2k49 s LEU 19 Cb -0.09 -1.88 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 2k49 s LEU 19 CO 0.02 -0.07 0.03 -0.54 -1.32 0.00 0.00 176.35 174.47 2k49 s LYS 20 N 1.56 3.64 0.00 1.98 1.02 -0.93 -1.12 119.74 125.90 2k49 s LYS 20 Ca 0.05 -0.38 0.00 0.00 0.02 0.00 0.00 55.97 55.66 2k49 s LYS 20 Cb -0.15 -3.04 0.00 0.00 -0.52 0.00 0.00 37.83 34.11 2k49 s LYS 20 CO 0.02 0.41 1.61 0.00 -0.92 0.00 0.00 175.35 176.47 2k49 n ALA 21 N 3.08 3.49 0.00 5.17 0.00 -0.40 -2.79 120.51 129.07 2k49 n ALA 21 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2k49 n ALA 21 Cb 0.53 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.84 2k49 n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k49 n GLY 22 N 1.48 1.28 0.00 0.00 0.00 -1.26 -4.56 105.19 102.13 2k49 n GLY 22 Ca 0.00 -0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.14 2k49 n GLY 22 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k49 n ASN 23 N 2.52 0.00 0.00 1.61 6.94 -1.26 -4.80 115.26 120.26 2k49 n ASN 23 Ca 0.00 0.25 0.00 0.00 -0.02 0.00 0.00 54.58 54.81 2k49 n ASN 23 Cb 0.00 -0.41 0.00 0.00 -2.36 0.00 0.00 39.78 37.01 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 1.01 2.73 3.69 4.83 0.00 -1.26 -5.07 105.19 111.11 2k49 n GLY 24 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.45 4.25 -0.26 1.61 2.12 -1.26 -4.75 118.70 119.96 2k49 s GLU 25 Ca 0.00 2.07 -0.29 0.00 0.36 0.00 0.00 54.97 57.11 2k49 s GLU 25 Cb 0.00 -3.62 0.00 0.00 0.26 0.00 0.00 34.13 30.77 2k49 s GLU 25 CO 0.00 -0.64 1.21 0.08 -0.54 0.00 0.00 175.26 175.37 2k49 s VAL 26 N 2.63 4.32 -0.21 3.70 1.01 -1.26 -1.27 120.40 129.31 2k49 s VAL 26 Ca 0.67 1.54 0.07 0.00 0.00 0.00 0.00 61.98 64.26 2k49 s VAL 26 Cb -0.33 -4.19 -0.18 0.00 0.00 0.00 0.00 36.38 31.68 2k49 s VAL 26 CO 0.28 -0.35 -0.10 2.30 0.00 0.00 0.00 175.10 177.23 2k49 n ILE 27 N 5.81 1.30 -4.54 2.22 -5.35 -0.27 -4.69 119.36 113.84 2k49 n ILE 27 Ca 0.14 -0.61 -0.24 0.00 -0.27 0.00 0.00 62.75 61.76 2k49 n ILE 27 Cb 0.46 -1.00 -0.14 0.00 -1.74 0.00 0.00 39.64 37.22 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 -5.95 2.18 -0.09 7.28 2.01 -1.15 -4.07 118.68 118.90 2k49 s LEU 28 Ca -0.22 -0.52 -0.04 0.00 0.01 0.00 0.00 54.13 53.35 2k49 s LEU 28 Cb 0.07 -0.88 0.04 0.00 0.01 0.00 0.00 46.19 45.43 2k49 s LEU 28 CO 0.62 0.12 0.19 -0.89 1.01 0.00 0.00 176.35 177.40 2k49 s THR 29 N -0.85 -0.11 0.26 5.49 2.01 0.88 -0.47 115.64 122.85 2k49 s THR 29 Ca 0.06 0.20 0.04 0.00 0.31 0.00 0.00 61.69 62.30 2k49 s THR 29 Cb -0.09 -0.31 -0.03 0.00 0.01 0.00 0.00 72.50 72.08 2k49 s THR 29 CO 0.02 0.08 0.39 -0.55 -0.69 0.00 0.00 174.62 173.88 2k49 s SER 30 N 1.46 6.31 0.58 3.53 0.15 -0.68 -0.55 113.70 124.51 2k49 s SER 30 Ca -0.07 0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.72 2k49 s SER 30 Cb -0.11 -1.89 0.00 0.00 -1.71 0.00 0.00 66.02 62.31 2k49 s SER 30 CO -0.07 -0.11 0.00 -0.62 1.20 0.00 0.00 173.24 173.64 2k49 n GLU 31 N -1.48 0.50 -2.50 5.44 1.02 -1.26 -4.28 120.64 118.09 2k49 n GLU 31 Ca -0.08 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.63 2k49 n GLU 31 Cb 0.57 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.97 2k49 n GLU 31 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2k49 s LEU 32 N 0.00 3.68 0.36 -4.62 1.43 -1.26 -4.46 118.68 113.80 2k49 s LEU 32 Ca 0.00 0.73 -0.15 0.00 -1.03 0.00 0.00 54.13 53.68 2k49 s LEU 32 Cb 0.00 -3.54 -0.09 0.00 0.03 0.00 0.00 46.19 42.59 2k49 s LEU 32 CO 0.00 -1.26 0.78 -0.31 0.23 0.00 0.00 176.35 175.80 2k49 s TYR 33 N 4.69 3.38 -2.19 0.29 1.51 0.31 -4.86 117.35 120.49 2k49 s TYR 33 Ca 0.53 1.26 0.20 0.00 -1.01 0.00 0.00 57.07 58.05 2k49 s TYR 33 Cb -0.11 -2.58 0.84 0.00 -0.11 0.00 0.00 41.96 40.01 2k49 s TYR 33 CO 0.29 0.01 1.59 0.25 -1.11 0.00 0.00 175.55 176.58 2k49 n THR 34 N -0.61 0.15 -3.66 -0.71 -2.24 -1.26 -1.30 114.28 104.65 2k49 n THR 34 Ca 0.04 -0.24 -0.14 0.00 -2.27 0.00 0.00 64.05 61.44 2k49 n THR 34 Cb 0.53 0.17 -0.08 0.00 -2.10 0.00 0.00 70.33 68.85 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 -1.56 -0.44 0.23 3.38 0.00 -1.26 -4.94 107.32 102.73 2k49 s GLY 35 Ca 0.30 1.50 0.00 0.00 0.00 0.00 0.00 44.72 46.53 2k49 s GLY 35 CO 0.24 1.25 1.60 1.70 0.00 0.00 0.00 173.10 177.90 2k49 h LYS 36 N 4.74 0.47 -0.66 2.90 3.64 -1.94 -1.57 116.57 124.16 2k49 h LYS 36 Ca -0.28 -0.25 -0.02 0.00 -1.27 0.00 0.00 60.65 58.83 2k49 h LYS 36 Cb 1.16 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.96 2k49 h LYS 36 CO 0.20 0.82 0.32 1.03 -2.27 0.00 0.00 179.45 179.55 2k49 h SER 37 N 0.39 0.85 -0.76 4.20 0.87 -1.99 -0.74 113.55 116.37 2k49 h SER 37 Ca 0.03 -0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.43 2k49 h SER 37 Cb 0.92 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.63 2k49 h SER 37 CO 0.08 0.74 0.35 1.23 -0.53 0.00 0.00 176.83 178.69 2k49 h GLY 38 N 0.91 1.18 0.96 5.77 0.00 -1.91 0.65 103.07 110.62 2k49 h GLY 38 Ca 0.23 -0.60 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 2k49 h GLY 38 CO -0.03 0.57 0.08 0.00 0.00 0.00 0.00 176.54 177.16 2k49 h ALA 39 N 1.17 0.16 -0.51 3.60 0.00 -0.94 0.35 119.26 123.10 2k49 h ALA 39 Ca 0.26 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2k49 h ALA 39 Cb 0.15 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2k49 h ALA 39 CO -0.03 -0.32 0.28 0.52 0.00 0.00 0.00 179.25 179.71 2k49 h MET 40 N 0.13 0.70 -0.91 0.00 2.86 -1.03 -1.47 114.93 115.21 2k49 h MET 40 Ca 0.05 -0.08 0.17 0.00 -2.06 0.00 0.00 59.70 57.77 2k49 h MET 40 Cb 0.04 -0.14 -0.08 0.00 0.06 0.00 0.00 31.60 31.49 2k49 h MET 40 CO -0.01 0.54 0.59 -0.97 1.06 0.00 0.00 176.91 178.12 2k49 h ASN 41 N 0.68 0.62 -0.69 1.22 -1.24 -0.64 0.21 115.58 115.73 2k49 h ASN 41 Ca 0.18 0.05 -0.01 0.00 0.71 0.00 0.00 56.30 57.22 2k49 h ASN 41 Cb 0.04 -0.07 -0.03 0.00 0.73 0.00 0.00 38.32 38.99 2k49 h ASN 41 CO -0.03 0.28 0.38 1.23 -1.29 0.00 0.00 177.43 178.00 2k49 h GLY 42 N 0.64 1.02 0.96 1.57 0.00 0.06 -1.87 103.07 105.46 2k49 h GLY 42 Ca 0.47 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 47.34 2k49 h GLY 42 CO -0.23 0.45 0.14 -2.22 0.00 0.00 0.00 176.54 174.68 2k49 h ILE 43 N 0.94 1.11 -0.60 2.60 2.04 0.18 -0.16 117.51 123.63 2k49 h ILE 43 Ca 0.24 -0.27 0.09 0.00 1.00 0.00 0.00 64.86 65.92 2k49 h ILE 43 Cb 0.04 0.84 -0.07 0.00 -0.74 0.00 0.00 36.82 36.89 2k49 h ILE 43 CO -0.04 0.10 0.22 -0.33 0.00 0.00 0.00 178.15 178.10 2k49 h GLU 44 N 0.30 0.39 -0.74 2.37 5.08 -1.01 1.00 114.58 121.96 2k49 h GLU 44 Ca 0.09 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 2k49 h GLU 44 Cb 0.04 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 2k49 h GLU 44 CO -0.02 0.26 0.48 0.77 -1.00 0.00 0.00 179.01 179.50 2k49 h SER 45 N 0.40 0.82 -0.58 1.42 0.02 -0.81 -1.12 113.55 113.71 2k49 h SER 45 Ca 0.30 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.19 2k49 h SER 45 Cb 0.36 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 2k49 h SER 45 CO -0.30 0.58 0.17 0.58 -1.14 0.00 0.00 176.83 176.73 2k49 h VAL 46 N 0.97 1.24 -0.66 2.27 2.07 -0.12 0.16 116.25 122.18 2k49 h VAL 46 Ca 0.28 -0.82 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 2k49 h VAL 46 Cb -0.07 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 2k49 h VAL 46 CO -0.08 0.31 0.39 1.56 0.02 0.00 0.00 177.57 179.77 2k49 h GLN 47 N 0.81 0.90 0.23 1.57 4.20 -0.35 0.21 115.11 122.69 2k49 h GLN 47 Ca 0.18 -0.08 -0.34 0.00 0.06 0.00 0.00 58.65 58.48 2k49 h GLN 47 Cb 0.29 -0.19 0.03 0.00 0.30 0.00 0.00 27.48 27.91 2k49 h GLN 47 CO -0.00 0.63 -1.53 1.15 -0.67 0.00 0.00 178.83 178.40 2k49 h THR 48 N 0.91 1.22 0.00 -0.54 2.02 -1.00 -3.38 112.91 112.14 2k49 h THR 48 Ca 0.24 -2.68 -0.21 0.00 0.77 0.00 0.00 66.41 64.52 2k49 h THR 48 Cb -0.03 2.98 -0.03 0.00 -1.74 0.00 0.00 68.15 69.33 2k49 h THR 48 CO -0.04 0.83 -1.07 0.78 0.37 0.00 0.00 175.52 176.38 2k49 h ASN 49 N 0.14 0.00 -0.74 4.18 2.35 -0.54 -3.35 115.58 117.62 2k49 h ASN 49 Ca -0.27 0.00 0.08 0.00 -0.55 0.00 0.00 56.30 55.56 2k49 h ASN 49 Cb 2.15 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 40.45 2k49 h ASN 49 CO 0.25 0.95 0.41 0.77 -1.65 0.00 0.00 177.43 178.16 2k49 h SER 50 N 0.00 0.59 0.48 5.81 4.64 -0.75 0.24 113.55 124.56 2k49 h SER 50 Ca -0.05 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2k49 h SER 50 Cb 1.77 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.79 2k49 h SER 50 CO 0.11 0.36 0.00 -0.81 -0.87 0.00 0.00 176.83 175.62 2k49 n PRO 51 N -4.78 0.31 -3.54 4.77 -0.04 -1.26 -3.77 135.00 126.70 2k49 n PRO 51 Ca 0.11 0.06 -0.40 0.00 -0.04 0.00 0.00 63.50 63.23 2k49 n PRO 51 Cb 0.23 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.14 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 -2.61 4.79 -0.54 0.52 1.01 0.84 -4.91 121.20 120.30 2k49 s ILE 52 Ca 0.22 -3.34 0.16 0.00 0.00 0.00 0.00 60.65 57.69 2k49 s ILE 52 Cb 0.16 -3.97 0.16 0.00 0.01 0.00 0.00 42.46 38.82 2k49 s ILE 52 CO 0.37 -1.05 1.49 1.21 0.00 0.00 0.00 174.94 176.96 2k49 n GLU 53 N 2.94 0.10 0.07 2.79 0.00 -1.26 -1.67 120.64 123.63 2k49 n GLU 53 Ca 0.18 0.52 0.06 0.00 0.00 0.00 0.00 57.16 57.91 2k49 n GLU 53 Cb 0.39 -1.78 0.29 0.00 0.00 0.00 0.00 31.44 30.34 2k49 n GLU 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2k49 n ALA 54 N -1.68 1.13 -0.89 4.31 0.00 -1.26 -1.01 120.51 121.12 2k49 n ALA 54 Ca 0.00 0.08 0.03 0.00 0.00 0.00 0.00 53.44 53.55 2k49 n ALA 54 Cb 0.08 -1.17 0.36 0.00 0.00 0.00 0.00 19.45 18.73 2k49 n ALA 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2k49 n ARG 55 N -1.85 4.45 -0.69 0.00 5.12 -0.67 -5.01 116.66 118.02 2k49 n ARG 55 Ca -0.00 -3.05 -0.30 0.00 -1.93 0.00 0.00 57.85 52.57 2k49 n ARG 55 Cb 0.05 -2.24 0.20 0.00 -1.16 0.00 0.00 32.46 29.31 2k49 n ARG 55 CO 0.00 0.00 0.00 1.52 -1.93 0.00 0.00 177.63 177.22 2k49 s TYR 56 N -2.78 1.59 -0.30 -1.55 1.13 -0.18 -3.30 117.35 111.96 2k49 s TYR 56 Ca 0.53 1.49 -0.06 0.00 -1.41 0.00 0.00 57.07 57.63 2k49 s TYR 56 Cb 0.41 -3.22 0.19 0.00 -1.10 0.00 0.00 41.96 38.24 2k49 s TYR 56 CO 0.15 -3.20 0.81 0.00 -2.51 0.00 0.00 175.55 170.80 2k49 s ALA 57 N -2.60 -2.88 -0.42 9.51 0.00 -1.14 -4.84 121.76 119.39 2k49 s ALA 57 Ca 0.67 1.55 -0.16 0.00 0.00 0.00 0.00 51.96 54.02 2k49 s ALA 57 Cb -0.23 -2.40 0.02 0.00 0.00 0.00 0.00 23.12 20.51 2k49 s ALA 57 CO 0.61 -1.51 0.39 0.15 0.00 0.00 0.00 175.76 175.39 2k49 s LYS 58 N 2.90 3.04 -0.13 0.00 3.01 -1.26 -0.23 119.74 127.06 2k49 s LYS 58 Ca 0.12 -0.90 -0.00 0.00 -1.01 0.00 0.00 55.97 54.18 2k49 s LYS 58 Cb -0.11 -3.99 -0.01 0.00 -1.01 0.00 0.00 37.83 32.71 2k49 s LYS 58 CO -0.18 -0.83 -0.13 -1.21 0.51 0.00 0.00 175.35 173.50 2k49 s GLU 59 N 1.95 3.37 -0.33 1.68 0.41 0.67 -4.98 118.70 121.47 2k49 s GLU 59 Ca 0.09 -0.69 -0.08 0.00 -0.41 0.00 0.00 54.97 53.88 2k49 s GLU 59 Cb -0.18 -2.62 0.02 0.00 -1.78 0.00 0.00 34.13 29.57 2k49 s GLU 59 CO 0.12 0.21 0.13 0.08 -0.49 0.00 0.00 175.26 175.30 2k49 s VAL 60 N 0.35 4.12 0.45 2.63 1.01 -1.26 -0.05 120.40 127.65 2k49 s VAL 60 Ca -0.11 -0.84 -0.25 0.00 0.00 0.00 0.00 61.98 60.79 2k49 s VAL 60 Cb -0.16 -3.23 -0.08 0.00 0.00 0.00 0.00 36.38 32.91 2k49 s VAL 60 CO 0.06 -0.07 1.32 0.00 0.00 0.00 0.00 175.10 176.41 2k49 s ALA 61 N 1.50 3.15 0.07 5.51 0.00 -0.23 -4.82 121.76 126.93 2k49 s ALA 61 Ca 0.01 1.27 0.11 0.00 0.00 0.00 0.00 51.96 53.35 2k49 s ALA 61 Cb -0.18 -3.51 0.59 0.00 0.00 0.00 0.00 23.12 20.02 2k49 s ALA 61 CO 0.04 -0.98 1.20 0.36 0.00 0.00 0.00 175.76 176.38 2k49 n LYS 62 N -0.21 0.08 -0.80 0.00 0.00 -1.26 0.11 118.16 116.07 2k49 n LYS 62 Ca 0.06 0.55 -0.06 0.00 -0.00 0.00 0.00 58.31 58.86 2k49 n LYS 62 Cb 0.44 -2.12 0.23 0.00 -0.00 0.00 0.00 35.03 33.57 2k49 n LYS 62 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2k49 n ASN 63 N -2.00 4.11 -3.33 -5.58 3.02 -1.26 -4.89 115.26 105.33 2k49 n ASN 63 Ca -0.01 -2.95 -0.20 0.00 -0.03 0.00 0.00 54.58 51.40 2k49 n ASN 63 Cb 0.39 -0.70 0.08 0.00 -0.61 0.00 0.00 39.78 38.94 2k49 n ASN 63 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2k49 n ASP 64 N -0.10 -4.62 -4.11 6.41 8.00 0.12 -4.99 116.55 117.26 2k49 n ASP 64 Ca 0.32 -0.53 -0.37 0.00 0.71 0.00 0.00 54.79 54.93 2k49 n ASP 64 Cb 1.17 -4.74 -0.10 0.00 -0.02 0.00 0.00 41.12 37.43 2k49 n ASP 64 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2k49 s LYS 65 N -5.87 2.54 -0.72 -1.24 1.02 -1.02 -4.82 119.74 109.62 2k49 s LYS 65 Ca 0.35 -2.43 -0.27 0.00 0.02 0.00 0.00 55.97 53.64 2k49 s LYS 65 Cb -0.15 -3.74 0.02 0.00 -0.52 0.00 0.00 37.83 33.43 2k49 s LYS 65 CO 0.68 -1.17 1.40 -1.25 -0.92 0.00 0.00 175.35 174.09 2k49 s PRO 66 N 0.11 3.08 0.36 -1.68 0.04 -1.25 -1.06 135.00 134.60 2k49 s PRO 66 Ca 0.16 -0.08 0.02 0.00 0.04 0.00 0.00 61.00 61.14 2k49 s PRO 66 Cb -0.20 -4.25 0.02 0.00 0.04 0.00 0.00 34.50 30.12 2k49 s PRO 66 CO -0.04 -2.27 0.20 2.48 0.04 0.00 0.00 177.00 177.41 2k49 n TYR 67 N 10.07 -0.44 -4.15 0.56 4.11 0.92 -4.11 117.16 124.13 2k49 n TYR 67 Ca 0.07 -1.61 -0.17 0.00 -0.00 0.00 0.00 57.90 56.20 2k49 n TYR 67 Cb 0.50 -0.28 -0.12 0.00 -0.00 0.00 0.00 39.34 39.43 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 -1.95 1.04 0.15 -3.48 -0.71 -1.26 -0.24 117.98 111.54 2k49 s PHE 68 Ca 0.15 -0.46 0.09 0.00 -1.04 0.00 0.00 56.93 55.68 2k49 s PHE 68 Cb -0.01 -0.60 -0.04 0.00 -1.21 0.00 0.00 43.02 41.16 2k49 s PHE 68 CO 0.10 0.01 -0.16 -0.80 -1.34 0.00 0.00 175.22 173.03 2k49 s ASN 69 N -1.64 3.92 -0.16 1.98 0.01 0.67 -1.40 114.94 118.33 2k49 s ASN 69 Ca -0.04 -0.62 -0.02 0.00 -0.71 0.00 0.00 52.86 51.47 2k49 s ASN 69 Cb -0.10 -0.55 -0.01 0.00 0.41 0.00 0.00 41.25 41.00 2k49 s ASN 69 CO 0.02 0.14 -0.09 -0.22 -1.51 0.00 0.00 177.10 175.44 2k49 s LEU 70 N -2.45 2.86 0.06 0.60 2.96 0.36 -2.86 118.68 120.20 2k49 s LEU 70 Ca 0.21 -0.31 0.06 0.00 -0.22 0.00 0.00 54.13 53.86 2k49 s LEU 70 Cb -0.10 -1.68 -0.04 0.00 0.50 0.00 0.00 46.19 44.88 2k49 s LEU 70 CO 0.12 0.11 -0.11 -0.54 -1.32 0.00 0.00 176.35 174.60 2k49 s LYS 71 N 0.70 2.24 0.82 1.98 1.02 -1.21 -0.89 119.74 124.41 2k49 s LYS 71 Ca -0.04 -0.92 -0.07 0.00 0.02 0.00 0.00 55.97 54.96 2k49 s LYS 71 Cb -0.15 -2.33 0.16 0.00 -0.52 0.00 0.00 37.83 34.99 2k49 s LYS 71 CO 0.02 0.54 1.13 0.00 -0.92 0.00 0.00 175.35 176.13 2k49 s ALA 72 N -1.08 3.13 0.30 5.17 0.00 -0.74 -4.86 121.76 123.69 2k49 s ALA 72 Ca 0.18 -1.56 0.06 0.00 0.00 0.00 0.00 51.96 50.64 2k49 s ALA 72 Cb -0.11 -2.29 0.74 0.00 0.00 0.00 0.00 23.12 21.46 2k49 s ALA 72 CO 0.10 -1.88 1.77 0.00 0.00 0.00 0.00 175.76 175.75 2k49 h ALA 73 N -0.99 1.66 0.00 0.00 0.00 -1.97 0.36 119.26 118.32 2k49 h ALA 73 Ca -0.39 0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2k49 h ALA 73 Cb 1.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2k49 h ALA 73 CO 0.38 -0.06 0.00 -1.71 0.00 0.00 0.00 179.25 177.86 2k49 n ASN 74 N -4.78 0.06 -0.96 0.00 5.15 -1.26 -4.83 115.26 108.64 2k49 n ASN 74 Ca 0.23 -1.69 -0.12 0.00 -0.60 0.00 0.00 54.58 52.39 2k49 n ASN 74 Cb 0.57 -0.03 -0.05 0.00 -0.53 0.00 0.00 39.78 39.74 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 -0.46 -0.02 -3.09 1.20 8.25 0.13 -4.99 115.22 116.25 2k49 n HIS 75 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 2k49 n HIS 75 Cb 0.02 -2.28 -0.06 0.00 1.12 0.00 0.00 29.99 28.78 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 -3.09 4.26 -0.62 -0.41 -2.07 -1.25 -4.77 119.66 111.71 2k49 s GLN 76 Ca 0.00 0.88 -0.27 0.00 -1.82 0.00 0.00 55.36 54.15 2k49 s GLN 76 Cb 0.00 -2.88 -0.00 0.00 -1.09 0.00 0.00 33.01 29.04 2k49 s GLN 76 CO 0.00 0.39 1.62 0.42 -1.32 0.00 0.00 175.29 176.40 2k49 s ILE 77 N -1.52 3.54 -0.63 3.63 -1.09 -1.26 -1.79 121.20 122.07 2k49 s ILE 77 Ca 0.43 0.36 0.22 0.00 -2.23 0.00 0.00 60.65 59.44 2k49 s ILE 77 Cb -0.17 -4.28 -0.22 0.00 -1.58 0.00 0.00 42.46 36.21 2k49 s ILE 77 CO 0.21 -1.18 0.84 2.30 -1.23 0.00 0.00 174.94 175.88 2k49 n ILE 78 N 6.94 0.05 -3.77 2.92 -5.35 -0.07 -4.81 119.36 115.27 2k49 n ILE 78 Ca 0.14 -0.20 -0.13 0.00 -0.27 0.00 0.00 62.75 62.29 2k49 n ILE 78 Cb 0.50 0.49 -0.11 0.00 -1.74 0.00 0.00 39.64 38.78 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 -3.59 -0.23 -0.03 3.28 0.00 -0.80 -4.38 107.32 101.56 2k49 s GLY 79 Ca 0.03 0.88 0.02 0.00 0.00 0.00 0.00 44.72 45.65 2k49 s GLY 79 CO 0.86 0.76 -0.08 -1.59 0.00 0.00 0.00 173.10 173.04 2k49 s THR 80 N 0.17 0.77 0.42 0.90 2.01 0.29 -0.49 115.64 119.70 2k49 s THR 80 Ca -0.00 -0.32 -0.03 0.00 0.31 0.00 0.00 61.69 61.65 2k49 s THR 80 Cb -0.02 -0.71 0.09 0.00 0.01 0.00 0.00 72.50 71.87 2k49 s THR 80 CO 0.00 0.25 0.58 -0.24 -0.69 0.00 0.00 174.62 174.52 2k49 n SER 81 N 3.52 0.51 -1.86 3.53 2.88 -0.49 -0.09 113.62 121.63 2k49 n SER 81 Ca -0.20 -1.49 0.00 0.00 -1.33 0.00 0.00 58.87 55.85 2k49 n SER 81 Cb 0.53 -0.40 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 2k49 n SER 81 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k49 n GLN 82 N -2.12 1.07 -3.26 -1.46 1.13 -1.26 -4.87 117.38 106.61 2k49 n GLN 82 Ca 0.09 0.00 -0.39 0.00 -1.94 0.00 0.00 57.00 54.75 2k49 n GLN 82 Cb 0.31 0.00 -0.07 0.00 0.11 0.00 0.00 30.24 30.58 2k49 n GLN 82 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2k49 s MET 83 N -0.87 4.11 0.53 -1.09 0.23 -1.26 -4.56 119.30 116.39 2k49 s MET 83 Ca 0.00 0.32 0.03 0.00 -1.03 0.00 0.00 55.69 55.01 2k49 s MET 83 Cb 0.00 -3.61 0.03 0.00 -1.53 0.00 0.00 34.83 29.72 2k49 s MET 83 CO 0.00 -0.25 0.26 0.66 -2.03 0.00 0.00 175.02 173.66 2k49 n TYR 84 N 5.19 0.02 0.00 3.16 4.01 -1.26 -5.05 117.16 123.24 2k49 n TYR 84 Ca -0.05 -2.37 0.00 0.00 -0.16 0.00 0.00 57.90 55.32 2k49 n TYR 84 Cb 0.50 -0.41 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 2k49 n TYR 84 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 2k49 n SER 85 N -1.65 1.11 -4.76 7.72 2.88 -1.26 -3.86 113.62 113.79 2k49 n SER 85 Ca -0.09 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.07 2k49 n SER 85 Cb 0.63 0.04 -0.06 0.00 -0.75 0.00 0.00 64.21 64.07 2k49 n SER 85 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2k49 s SER 86 N -2.71 6.93 0.23 -3.46 0.15 -1.26 -4.81 113.70 108.77 2k49 s SER 86 Ca 0.00 1.11 -0.04 0.00 0.70 0.00 0.00 55.95 57.72 2k49 s SER 86 Cb 0.00 -2.35 0.24 0.00 -1.71 0.00 0.00 66.02 62.20 2k49 s SER 86 CO 0.00 0.11 1.70 0.71 1.20 0.00 0.00 173.24 176.95 2k49 h THR 87 N 4.17 1.26 -0.02 6.45 1.35 -1.97 -2.58 112.91 121.56 2k49 h THR 87 Ca -0.45 -1.14 -0.00 0.00 -0.55 0.00 0.00 66.41 64.27 2k49 h THR 87 Cb 1.20 0.97 -0.00 0.00 -1.73 0.00 0.00 68.15 68.59 2k49 h THR 87 CO 0.70 0.40 0.01 0.00 -0.25 0.00 0.00 175.52 176.37 2k49 h ALA 88 N 1.15 0.03 -1.00 6.62 0.00 -1.99 -2.31 119.26 121.76 2k49 h ALA 88 Ca 0.13 -0.11 0.12 0.00 0.00 0.00 0.00 54.91 55.05 2k49 h ALA 88 Cb 0.56 -0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.26 2k49 h ALA 88 CO 0.03 -0.36 0.63 0.00 0.00 0.00 0.00 179.25 179.55 2k49 h ALA 89 N 0.80 1.53 0.26 0.00 0.00 -1.97 0.52 119.26 120.40 2k49 h ALA 89 Ca 0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 2k49 h ALA 89 Cb 0.21 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2k49 h ALA 89 CO -0.00 0.23 -0.27 -0.09 0.00 0.00 0.00 179.25 179.11 2k49 h ARG 90 N 0.99 -0.55 -0.10 0.00 2.43 -1.28 -1.21 114.38 114.66 2k49 h ARG 90 Ca 0.49 0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.62 2k49 h ARG 90 Cb 0.48 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 2k49 h ARG 90 CO -0.26 -0.36 -0.32 -0.44 -1.51 0.00 0.00 179.97 177.08 2k49 h ASP 91 N -0.57 0.20 -0.22 -3.80 3.32 -0.77 -1.01 116.42 113.57 2k49 h ASP 91 Ca -0.00 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 56.92 2k49 h ASP 91 Cb 0.53 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.01 2k49 h ASP 91 CO -0.07 0.51 -0.02 0.78 -1.72 0.00 0.00 179.24 178.72 2k49 h ASN 92 N 0.17 0.50 -0.49 6.45 2.35 -0.82 -1.39 115.58 122.36 2k49 h ASN 92 Ca 0.02 -0.10 0.03 0.00 -0.55 0.00 0.00 56.30 55.70 2k49 h ASN 92 Cb 0.65 -0.13 -0.03 0.00 0.05 0.00 0.00 38.32 38.86 2k49 h ASN 92 CO 0.05 0.59 0.28 1.23 -1.65 0.00 0.00 177.43 177.93 2k49 h GLY 93 N 0.86 0.68 0.70 2.83 0.00 0.06 -1.33 103.07 106.88 2k49 h GLY 93 Ca 0.11 -0.21 0.08 0.00 0.00 0.00 0.00 47.33 47.30 2k49 h GLY 93 CO 0.01 0.17 0.64 -2.22 0.00 0.00 0.00 176.54 175.15 2k49 h ILE 94 N 0.56 1.05 -0.90 2.60 2.04 -0.72 0.00 117.51 122.15 2k49 h ILE 94 Ca 0.20 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 2k49 h ILE 94 Cb 0.03 -0.17 -0.04 0.00 -0.74 0.00 0.00 36.82 35.90 2k49 h ILE 94 CO -0.10 0.20 0.51 0.11 0.00 0.00 0.00 178.15 178.87 2k49 h LYS 95 N 1.12 1.25 0.00 2.37 1.79 -0.79 -0.86 116.57 121.45 2k49 h LYS 95 Ca 0.44 -0.14 -0.03 0.00 -2.18 0.00 0.00 60.65 58.74 2k49 h LYS 95 Cb 0.24 -0.25 -0.00 0.00 -1.58 0.00 0.00 32.23 30.64 2k49 h LYS 95 CO -0.19 0.91 -0.16 0.77 -1.08 0.00 0.00 179.45 179.70 2k49 h SER 96 N 1.26 0.00 -0.01 0.86 0.02 0.03 -2.11 113.55 113.61 2k49 h SER 96 Ca 0.32 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.27 2k49 h SER 96 Cb 0.01 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.55 2k49 h SER 96 CO -0.05 0.16 -0.00 0.58 -1.14 0.00 0.00 176.83 176.37 2k49 h VAL 97 N 0.00 1.36 0.00 2.27 2.07 0.28 -0.21 116.25 122.01 2k49 h VAL 97 Ca -0.00 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.44 2k49 h VAL 97 Cb 0.30 2.06 -0.00 0.00 -1.52 0.00 0.00 31.29 32.13 2k49 h VAL 97 CO 0.02 0.28 -0.10 0.00 0.02 0.00 0.00 177.57 177.78 2k49 h MET 98 N -0.43 0.00 0.18 1.57 3.00 -1.14 0.48 114.93 118.59 2k49 h MET 98 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 59.70 59.69 2k49 h MET 98 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.05 2k49 h MET 98 CO 0.00 0.10 -0.09 1.49 0.00 0.00 0.00 176.91 178.42 2k49 h GLU 99 N 0.00 -0.23 0.00 -0.10 4.57 -1.31 -3.40 114.58 114.11 2k49 h GLU 99 Ca -0.00 0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.14 2k49 h GLU 99 Cb 0.22 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 2k49 h GLU 99 CO 0.01 0.04 -1.27 0.09 -1.18 0.00 0.00 179.01 176.70 2k49 n ASN 100 N -4.92 0.72 0.08 1.04 3.02 -0.10 -3.91 115.26 111.20 2k49 n ASN 100 Ca -0.05 0.29 0.09 0.00 -0.03 0.00 0.00 54.58 54.88 2k49 n ASN 100 Cb 0.19 0.58 0.40 0.00 -0.61 0.00 0.00 39.78 40.34 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 1.26 -1.04 0.70 7.41 0.00 0.17 -2.25 105.19 111.44 2k49 n GLY 101 Ca -0.04 0.06 0.03 0.00 0.00 0.00 0.00 46.02 46.07 2k49 n GLY 101 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2k49 n LYS 102 N -1.94 1.90 -2.97 1.61 5.02 -1.25 -4.03 118.16 116.50 2k49 n LYS 102 Ca 0.02 -0.91 -0.39 0.00 -2.02 0.00 0.00 58.31 55.00 2k49 n LYS 102 Cb 0.15 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.62 2k49 n LYS 102 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2k49 s THR 103 N -1.62 4.38 -2.25 -0.18 -1.32 -0.96 -4.96 115.64 108.75 2k49 s THR 103 Ca 0.16 1.72 0.19 0.00 -1.21 0.00 0.00 61.69 62.56 2k49 s THR 103 Cb 0.11 -4.15 0.43 0.00 -1.51 0.00 0.00 72.50 67.38 2k49 s THR 103 CO 0.08 0.51 1.45 0.35 -2.21 0.00 0.00 174.62 174.80 2k49 n THR 104 N 1.71 0.38 -2.68 5.08 -2.24 -1.26 -4.88 114.28 110.40 2k49 n THR 104 Ca -0.05 -0.51 -0.43 0.00 -2.27 0.00 0.00 64.05 60.80 2k49 n THR 104 Cb 0.49 0.49 -0.03 0.00 -2.10 0.00 0.00 70.33 69.18 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 -1.62 4.19 -0.06 4.28 2.01 -1.26 -5.02 115.64 118.16 2k49 s THR 105 Ca 0.33 0.79 0.05 0.00 0.31 0.00 0.00 61.69 63.17 2k49 s THR 105 Cb 0.18 -4.63 -0.01 0.00 0.01 0.00 0.00 72.50 68.06 2k49 s THR 105 CO 0.26 -1.17 -0.23 -0.63 -0.69 0.00 0.00 174.62 172.15 2k49 s ILE 106 N 4.49 1.91 -0.18 1.82 1.01 -1.26 -1.13 121.20 127.86 2k49 s ILE 106 Ca 0.40 -0.97 -0.01 0.00 0.00 0.00 0.00 60.65 60.07 2k49 s ILE 106 Cb -0.09 -1.63 0.00 0.00 0.01 0.00 0.00 42.46 40.75 2k49 s ILE 106 CO 0.25 0.53 -0.13 -0.54 0.00 0.00 0.00 174.94 175.05 2k49 s LYS 107 N -0.00 3.21 -0.25 2.79 1.02 0.29 -4.96 119.74 121.84 2k49 s LYS 107 Ca -0.07 -0.73 -0.21 0.00 0.02 0.00 0.00 55.97 54.98 2k49 s LYS 107 Cb -0.14 -2.73 -0.02 0.00 -0.52 0.00 0.00 37.83 34.42 2k49 s LYS 107 CO 0.04 -0.11 0.67 0.34 -0.92 0.00 0.00 175.35 175.37 2k49 s ASP 108 N 1.15 6.64 -0.10 2.83 -1.08 -1.26 -1.02 116.67 123.83 2k49 s ASP 108 Ca 0.01 0.79 0.14 0.00 -0.52 0.00 0.00 52.55 52.96 2k49 s ASP 108 Cb -0.14 -2.36 0.33 0.00 -1.46 0.00 0.00 42.92 39.29 2k49 s ASP 108 CO -0.05 -0.39 1.24 0.18 0.52 0.00 0.00 175.17 176.67 2k49 n LEU 109 N 5.69 2.92 -0.02 -1.34 4.77 0.85 -4.39 117.00 125.48 2k49 n LEU 109 Ca 0.01 -2.69 -0.14 0.00 -0.03 0.00 0.00 56.01 53.16 2k49 n LEU 109 Cb 0.49 -0.36 -0.14 0.00 -2.33 0.00 0.00 43.42 41.07 2k49 n LEU 109 CO 0.44 0.67 -0.70 0.35 -1.33 0.00 0.00 177.39 176.81 2k49 n THR 110 N -0.62 1.66 0.04 -5.08 -2.24 -1.24 -4.18 114.28 102.62 2k49 n THR 110 Ca 0.14 -0.74 -0.13 0.00 -2.27 0.00 0.00 64.05 61.05 2k49 n THR 110 Cb 0.62 -1.28 -0.14 0.00 -2.10 0.00 0.00 70.33 67.44 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 0.03 0.22 -8.57 3.22 3.38 -1.94 -3.45 115.31 108.20 2k49 h LEU 111 Ca -0.37 -0.31 -0.65 0.00 0.09 0.00 0.00 57.88 56.64 2k49 h LEU 111 Cb 2.03 -0.07 -0.15 0.00 0.09 0.00 0.00 40.66 42.56 2k49 h LEU 111 CO 0.07 1.26 0.20 -1.61 0.09 0.00 0.00 178.44 178.46 2k49 s GLU 112 N -2.63 3.30 -0.56 1.13 0.41 -1.26 -4.94 118.70 114.14 2k49 s GLU 112 Ca -0.06 -0.35 0.06 0.00 -0.41 0.00 0.00 54.97 54.21 2k49 s GLU 112 Cb 0.08 -3.97 0.34 0.00 -1.78 0.00 0.00 34.13 28.80 2k49 s GLU 112 CO 0.84 -1.09 0.92 -2.39 -0.49 0.00 0.00 175.26 173.05 2k49 n HIS 113 N 6.44 3.68 -3.50 1.61 1.44 -1.26 -4.81 115.22 118.82 2k49 n HIS 113 Ca -0.01 -3.99 -0.27 0.00 -2.01 0.00 0.00 57.72 51.45 2k49 n HIS 113 Cb 0.48 -0.49 -0.09 0.00 0.12 0.00 0.00 29.99 30.01 2k49 n HIS 113 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2k49 n HIS 114 N -0.16 2.27 -3.55 -1.40 8.25 -1.26 -5.08 115.22 114.30 2k49 n HIS 114 Ca 0.30 -3.99 -0.08 0.00 -0.26 0.00 0.00 57.72 53.70 2k49 n HIS 114 Cb 0.42 -0.44 -0.03 0.00 1.12 0.00 0.00 29.99 31.06 2k49 n HIS 114 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2k49 s HIS 115 N -1.68 -0.29 0.04 4.41 -3.43 -1.26 -5.18 115.29 107.90 2k49 s HIS 115 Ca 0.34 0.26 0.03 0.00 -0.80 0.00 0.00 55.06 54.89 2k49 s HIS 115 Cb 0.09 0.51 -0.04 0.00 -1.43 0.00 0.00 32.58 31.71 2k49 s HIS 115 CO -0.09 -0.40 0.01 -3.38 -2.00 0.00 0.00 174.74 168.88 2k49 s HIS 116 N -2.45 3.06 0.16 0.38 -3.43 -1.26 -5.04 115.29 106.71 2k49 s HIS 116 Ca 0.05 0.04 -0.12 0.00 -0.80 0.00 0.00 55.06 54.23 2k49 s HIS 116 Cb -0.01 -1.62 0.05 0.00 -1.43 0.00 0.00 32.58 29.57 2k49 s HIS 116 CO -0.06 0.48 1.67 1.25 -2.00 0.00 0.00 174.74 176.08 2k49 h HIS 117 N 3.88 0.91 -0.02 0.38 2.76 -2.06 -3.56 115.15 117.44 2k49 h HIS 117 Ca -0.48 -0.11 0.00 0.00 -2.20 0.00 0.00 60.37 57.58 2k49 h HIS 117 Cb 1.17 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 29.87 2k49 h HIS 117 CO 0.61 0.79 0.00 0.72 -1.30 0.00 0.00 177.93 178.75