#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 5.18 0.24 7.83 0.01 -1.26 -4.60 113.70 121.10 2k49 s SER 2 Ca 0.00 -0.68 0.02 0.00 1.31 0.00 0.00 55.95 56.60 2k49 s SER 2 Cb 0.00 -0.58 -0.04 0.00 0.21 0.00 0.00 66.02 65.61 2k49 s SER 2 CO 0.00 -0.68 0.41 -0.83 0.41 0.00 0.00 173.24 172.55 2k49 s GLY 3 N -4.18 1.49 0.21 3.44 0.00 -1.26 -3.52 107.32 103.50 2k49 s GLY 3 Ca 0.50 -0.99 -0.19 0.00 0.00 0.00 0.00 44.72 44.03 2k49 s GLY 3 CO 0.29 -0.96 0.59 0.66 0.00 0.00 0.00 173.10 173.68 2k49 s TRP 4 N -2.00 -0.20 -0.19 1.90 -2.14 -0.89 -4.67 118.94 110.75 2k49 s TRP 4 Ca 0.37 -0.15 -0.06 0.00 2.66 0.00 0.00 56.10 58.92 2k49 s TRP 4 Cb -0.10 0.50 -0.03 0.00 -3.10 0.00 0.00 33.47 30.74 2k49 s TRP 4 CO 0.31 -1.00 0.03 0.71 -2.66 0.00 0.00 176.95 174.34 2k49 s TYR 5 N -3.87 3.12 -0.42 1.66 2.02 -0.18 -1.45 117.35 118.22 2k49 s TYR 5 Ca 0.09 -0.22 -0.13 0.00 -0.37 0.00 0.00 57.07 56.43 2k49 s TYR 5 Cb -0.02 -2.08 0.05 0.00 -0.40 0.00 0.00 41.96 39.50 2k49 s TYR 5 CO -0.01 -0.08 0.30 -1.21 -1.57 0.00 0.00 175.55 172.98 2k49 s GLU 6 N 0.76 2.88 -0.31 -0.62 2.02 -0.07 0.02 118.70 123.37 2k49 s GLU 6 Ca 0.02 -1.21 -0.19 0.00 0.02 0.00 0.00 54.97 53.61 2k49 s GLU 6 Cb -0.14 -3.94 -0.01 0.00 0.10 0.00 0.00 34.13 30.14 2k49 s GLU 6 CO 0.02 -0.86 0.58 -1.17 0.02 0.00 0.00 175.26 173.86 2k49 s LEU 7 N 1.60 4.18 0.15 1.80 2.96 -0.08 -1.68 118.68 127.61 2k49 s LEU 7 Ca 0.04 0.32 0.06 0.00 -0.22 0.00 0.00 54.13 54.32 2k49 s LEU 7 Cb -0.21 -2.73 -0.04 0.00 0.50 0.00 0.00 46.19 43.70 2k49 s LEU 7 CO 0.07 -0.45 -0.13 -0.94 -1.32 0.00 0.00 176.35 173.58 2k49 s SER 8 N 1.67 2.08 -0.09 3.68 1.04 0.21 -0.16 113.70 122.12 2k49 s SER 8 Ca 0.23 -0.93 -0.02 0.00 0.48 0.00 0.00 55.95 55.71 2k49 s SER 8 Cb -0.15 -0.07 -0.03 0.00 0.10 0.00 0.00 66.02 65.87 2k49 s SER 8 CO 0.12 -0.21 -0.00 -0.75 0.98 0.00 0.00 173.24 173.37 2k49 s LYS 9 N -3.27 3.02 0.77 4.02 2.20 -1.26 -0.68 119.74 124.54 2k49 s LYS 9 Ca 0.15 -0.42 -0.12 0.00 -0.36 0.00 0.00 55.97 55.22 2k49 s LYS 9 Cb -0.01 -2.79 0.06 0.00 -1.51 0.00 0.00 37.83 33.57 2k49 s LYS 9 CO 0.03 0.67 1.15 0.45 -0.36 0.00 0.00 175.35 177.28 2k49 s SER 10 N -0.79 4.84 0.59 1.43 0.15 0.48 -4.93 113.70 115.48 2k49 s SER 10 Ca 0.12 0.90 0.34 0.00 0.70 0.00 0.00 55.95 58.01 2k49 s SER 10 Cb -0.11 -1.50 1.87 0.00 -1.71 0.00 0.00 66.02 64.56 2k49 s SER 10 CO 0.02 -1.70 2.21 0.77 1.20 0.00 0.00 173.24 175.74 2k49 h SER 11 N -0.90 0.00 -0.19 5.45 4.64 -2.00 0.64 113.55 121.18 2k49 h SER 11 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2k49 h SER 11 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 2k49 h SER 11 CO 0.65 0.04 0.00 0.59 -0.87 0.00 0.00 176.83 177.24 2k49 n ASN 12 N -3.45 1.67 -0.84 4.97 3.02 -1.26 -4.88 115.26 114.49 2k49 n ASN 12 Ca -0.02 -2.12 -0.11 0.00 -0.03 0.00 0.00 54.58 52.30 2k49 n ASN 12 Cb 0.15 -0.32 -0.05 0.00 -0.61 0.00 0.00 39.78 38.95 2k49 n ASN 12 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2k49 n ASP 13 N 0.14 -5.73 -4.84 6.41 8.00 0.22 -4.97 116.55 115.78 2k49 n ASP 13 Ca 0.07 0.27 -0.38 0.00 0.71 0.00 0.00 54.79 55.47 2k49 n ASP 13 Cb 0.33 -4.19 -0.06 0.00 -0.02 0.00 0.00 41.12 37.18 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 -2.92 3.89 0.07 -1.24 -0.21 -1.26 -4.82 119.66 113.18 2k49 s GLN 14 Ca 0.00 0.38 -0.10 0.00 0.02 0.00 0.00 55.36 55.67 2k49 s GLN 14 Cb 0.00 -3.20 -0.06 0.00 1.00 0.00 0.00 33.01 30.75 2k49 s GLN 14 CO 0.00 0.68 0.39 -0.06 -2.12 0.00 0.00 175.29 174.18 2k49 s PHE 15 N -1.11 3.59 0.06 0.91 0.40 -0.87 -0.39 117.98 120.57 2k49 s PHE 15 Ca 0.24 0.77 0.00 0.00 -0.60 0.00 0.00 56.93 57.35 2k49 s PHE 15 Cb -0.16 -2.15 -0.03 0.00 0.51 0.00 0.00 43.02 41.19 2k49 s PHE 15 CO 0.14 0.53 -0.05 -1.59 0.70 0.00 0.00 175.22 174.95 2k49 s LYS 16 N -1.87 0.62 0.01 0.44 -2.85 0.14 -0.59 119.74 115.63 2k49 s LYS 16 Ca 0.32 -1.09 -0.00 0.00 -1.00 0.00 0.00 55.97 54.20 2k49 s LYS 16 Cb -0.14 -0.01 -0.01 0.00 -2.06 0.00 0.00 37.83 35.61 2k49 s LYS 16 CO 0.18 -0.05 -0.00 -0.59 0.10 0.00 0.00 175.35 174.99 2k49 s PHE 17 N -3.04 0.12 0.07 1.78 -0.71 -1.26 -0.62 117.98 114.31 2k49 s PHE 17 Ca 0.02 -0.23 0.09 0.00 -1.04 0.00 0.00 56.93 55.77 2k49 s PHE 17 Cb 0.01 -0.09 -0.03 0.00 -1.21 0.00 0.00 43.02 41.71 2k49 s PHE 17 CO -0.05 -0.10 -0.25 0.14 -1.34 0.00 0.00 175.22 173.62 2k49 s VAL 18 N -0.71 2.02 -0.31 -2.49 -7.23 -0.68 -2.23 120.40 108.78 2k49 s VAL 18 Ca -0.08 -1.43 -0.09 0.00 -1.81 0.00 0.00 61.98 58.57 2k49 s VAL 18 Cb -0.05 -1.75 -0.00 0.00 0.56 0.00 0.00 36.38 35.14 2k49 s VAL 18 CO -0.00 0.24 0.13 -0.22 -0.31 0.00 0.00 175.10 174.94 2k49 s LEU 19 N -1.44 4.03 -0.00 1.32 2.96 -0.32 -0.89 118.68 124.34 2k49 s LEU 19 Ca 0.11 -0.57 0.01 0.00 -0.22 0.00 0.00 54.13 53.46 2k49 s LEU 19 Cb -0.10 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.59 2k49 s LEU 19 CO 0.03 -0.19 0.02 -0.54 -1.32 0.00 0.00 176.35 174.35 2k49 s LYS 20 N 1.58 2.86 0.77 1.98 1.02 -0.53 -1.34 119.74 126.09 2k49 s LYS 20 Ca 0.04 -0.58 -0.10 0.00 0.02 0.00 0.00 55.97 55.35 2k49 s LYS 20 Cb -0.17 -2.72 0.17 0.00 -0.52 0.00 0.00 37.83 34.59 2k49 s LYS 20 CO 0.05 0.63 1.05 0.00 -0.92 0.00 0.00 175.35 176.16 2k49 n ALA 21 N 1.31 -0.86 0.27 5.17 0.00 -0.26 -2.09 120.51 124.06 2k49 n ALA 21 Ca -0.14 -1.54 0.18 0.00 0.00 0.00 0.00 53.44 51.94 2k49 n ALA 21 Cb 0.53 0.03 0.94 0.00 0.00 0.00 0.00 19.45 20.95 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 -1.19 0.00 0.59 0.00 0.00 -1.81 0.90 103.07 101.56 2k49 h GLY 22 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.99 2k49 h GLY 22 CO 0.27 0.00 -0.48 1.16 0.00 0.00 0.00 176.54 177.50 2k49 n ASN 23 N -3.52 0.77 0.00 0.19 6.94 -1.26 -4.51 115.26 113.87 2k49 n ASN 23 Ca -0.01 -0.57 0.00 0.00 -0.02 0.00 0.00 54.58 53.98 2k49 n ASN 23 Cb 0.22 0.30 0.00 0.00 -2.36 0.00 0.00 39.78 37.94 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 1.45 0.69 3.75 4.83 0.00 0.31 -5.07 105.19 111.15 2k49 n GLY 24 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.79 4.61 -0.58 1.61 2.56 -1.26 -4.68 118.70 120.16 2k49 s GLU 25 Ca 0.00 1.79 -0.24 0.00 0.00 0.00 0.00 54.97 56.52 2k49 s GLU 25 Cb 0.00 -3.22 0.05 0.00 2.00 0.00 0.00 34.13 32.95 2k49 s GLU 25 CO 0.00 0.13 0.95 0.08 -0.56 0.00 0.00 175.26 175.86 2k49 s VAL 26 N -0.72 4.36 -0.05 3.70 1.01 -1.26 -1.10 120.40 126.34 2k49 s VAL 26 Ca 0.47 0.10 -0.13 0.00 0.00 0.00 0.00 61.98 62.42 2k49 s VAL 26 Cb -0.31 -4.58 -0.31 0.00 0.00 0.00 0.00 36.38 31.17 2k49 s VAL 26 CO 0.39 -1.22 0.71 0.16 0.00 0.00 0.00 175.10 175.13 2k49 h ILE 27 N 6.00 1.04 -4.03 2.22 3.07 -1.58 -3.48 117.51 120.75 2k49 h ILE 27 Ca -0.27 -2.52 -0.57 0.00 1.55 0.00 0.00 64.86 63.06 2k49 h ILE 27 Cb 1.07 2.82 -0.23 0.00 -0.27 0.00 0.00 36.82 40.21 2k49 h ILE 27 CO 1.12 0.82 -0.83 -0.76 -1.05 0.00 0.00 178.15 177.44 2k49 s LEU 28 N -7.43 2.24 -0.05 0.16 2.01 -1.18 -4.39 118.68 110.04 2k49 s LEU 28 Ca -0.16 -0.62 -0.02 0.00 0.01 0.00 0.00 54.13 53.34 2k49 s LEU 28 Cb 0.05 -0.92 0.03 0.00 0.01 0.00 0.00 46.19 45.37 2k49 s LEU 28 CO 0.85 0.10 0.12 -0.89 1.01 0.00 0.00 176.35 177.54 2k49 s THR 29 N -1.01 -0.05 0.20 5.49 2.01 0.08 -1.17 115.64 121.19 2k49 s THR 29 Ca 0.07 0.17 0.05 0.00 0.31 0.00 0.00 61.69 62.29 2k49 s THR 29 Cb -0.09 -0.20 -0.03 0.00 0.01 0.00 0.00 72.50 72.18 2k49 s THR 29 CO 0.03 0.07 0.24 -0.55 -0.69 0.00 0.00 174.62 173.72 2k49 s SER 30 N 1.07 5.89 1.01 3.53 0.15 -0.95 -0.76 113.70 123.64 2k49 s SER 30 Ca -0.08 -0.05 -0.01 0.00 0.70 0.00 0.00 55.95 56.51 2k49 s SER 30 Cb -0.11 -1.63 0.02 0.00 -1.71 0.00 0.00 66.02 62.58 2k49 s SER 30 CO -0.05 0.01 0.07 -0.62 1.20 0.00 0.00 173.24 173.85 2k49 n GLU 31 N -0.84 -0.67 -2.77 5.44 4.71 -1.26 -4.37 120.64 120.88 2k49 n GLU 31 Ca -0.08 -0.11 -0.42 0.00 -0.01 0.00 0.00 57.16 56.54 2k49 n GLU 31 Cb 0.56 -0.09 -0.03 0.00 -1.01 0.00 0.00 31.44 30.86 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 4.35 0.15 -4.62 1.43 -1.26 -4.52 118.68 114.21 2k49 s LEU 32 Ca 0.04 1.55 0.02 0.00 -1.03 0.00 0.00 54.13 54.72 2k49 s LEU 32 Cb -0.00 -3.47 -0.04 0.00 0.03 0.00 0.00 46.19 42.71 2k49 s LEU 32 CO 0.03 -0.25 0.29 -0.31 0.23 0.00 0.00 176.35 176.35 2k49 s TYR 33 N 1.06 3.48 0.10 0.29 1.51 0.24 -4.89 117.35 119.15 2k49 s TYR 33 Ca 0.49 0.13 0.14 0.00 -1.01 0.00 0.00 57.07 56.82 2k49 s TYR 33 Cb -0.20 -1.68 0.31 0.00 -0.11 0.00 0.00 41.96 40.28 2k49 s TYR 33 CO 0.25 0.50 1.56 1.79 -1.11 0.00 0.00 175.55 178.55 2k49 h THR 34 N 1.62 1.13 -3.99 -0.71 1.35 -1.94 -2.31 112.91 108.05 2k49 h THR 34 Ca -0.48 -2.14 -0.20 0.00 -0.55 0.00 0.00 66.41 63.03 2k49 h THR 34 Cb 1.19 2.25 -0.18 0.00 -1.73 0.00 0.00 68.15 69.69 2k49 h THR 34 CO 0.68 0.55 -0.70 -0.83 -0.25 0.00 0.00 175.52 174.97 2k49 s GLY 35 N -4.46 0.53 0.13 5.82 0.00 -1.26 -4.84 107.32 103.23 2k49 s GLY 35 Ca 0.01 -1.03 -0.15 0.00 0.00 0.00 0.00 44.72 43.55 2k49 s GLY 35 CO 0.74 -1.12 1.61 1.70 0.00 0.00 0.00 173.10 176.03 2k49 h LYS 36 N 3.71 0.67 -0.96 2.90 3.64 -1.94 -2.42 116.57 122.17 2k49 h LYS 36 Ca -0.35 -0.18 0.08 0.00 -1.27 0.00 0.00 60.65 58.93 2k49 h LYS 36 Cb 1.18 -0.08 -0.07 0.00 -0.41 0.00 0.00 32.23 32.85 2k49 h LYS 36 CO 0.55 0.72 0.62 1.03 -2.27 0.00 0.00 179.45 180.09 2k49 h SER 37 N 0.52 0.96 -0.54 4.20 0.87 -1.99 -0.56 113.55 117.01 2k49 h SER 37 Ca 0.12 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.68 2k49 h SER 37 Cb 0.37 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.12 2k49 h SER 37 CO 0.01 0.59 0.27 1.23 -0.53 0.00 0.00 176.83 178.40 2k49 h GLY 38 N 1.08 0.82 0.83 5.77 0.00 -1.92 0.10 103.07 109.74 2k49 h GLY 38 Ca 0.43 -0.40 0.03 0.00 0.00 0.00 0.00 47.33 47.39 2k49 h GLY 38 CO -0.18 0.38 0.23 0.00 0.00 0.00 0.00 176.54 176.97 2k49 h ALA 39 N 1.10 0.54 -0.84 3.60 0.00 -0.83 -1.79 119.26 121.04 2k49 h ALA 39 Ca 0.19 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2k49 h ALA 39 Cb 0.10 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2k49 h ALA 39 CO -0.02 -0.11 0.44 0.52 0.00 0.00 0.00 179.25 180.07 2k49 h MET 40 N 0.46 1.19 -0.79 0.00 2.86 -0.90 -1.58 114.93 116.17 2k49 h MET 40 Ca 0.18 -0.15 0.14 0.00 -2.06 0.00 0.00 59.70 57.81 2k49 h MET 40 Cb 0.06 -0.23 -0.09 0.00 0.06 0.00 0.00 31.60 31.40 2k49 h MET 40 CO -0.11 0.89 0.36 -0.97 1.06 0.00 0.00 176.91 178.14 2k49 h ASN 41 N 1.18 0.39 -0.60 1.22 -0.73 -0.29 0.16 115.58 116.91 2k49 h ASN 41 Ca 0.29 0.10 -0.05 0.00 1.87 0.00 0.00 56.30 58.51 2k49 h ASN 41 Cb 0.07 0.05 -0.03 0.00 0.27 0.00 0.00 38.32 38.68 2k49 h ASN 41 CO -0.04 0.16 0.19 1.23 -0.37 0.00 0.00 177.43 178.59 2k49 h GLY 42 N 0.52 1.05 0.81 1.57 0.00 -0.59 -1.91 103.07 104.51 2k49 h GLY 42 Ca 0.43 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 2k49 h GLY 42 CO -0.38 0.56 -0.06 -2.22 0.00 0.00 0.00 176.54 174.44 2k49 h ILE 43 N 0.94 0.97 -0.36 2.60 2.04 0.17 -0.32 117.51 123.55 2k49 h ILE 43 Ca 0.21 -0.42 -0.04 0.00 1.00 0.00 0.00 64.86 65.61 2k49 h ILE 43 Cb 0.28 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 2k49 h ILE 43 CO -0.01 0.10 0.06 1.05 0.00 0.00 0.00 178.15 179.36 2k49 h GLU 44 N -0.37 0.54 -0.42 2.37 4.11 -1.14 -1.74 114.58 117.93 2k49 h GLU 44 Ca -0.02 -0.10 0.00 0.00 0.07 0.00 0.00 59.36 59.32 2k49 h GLU 44 Cb 0.30 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2k49 h GLU 44 CO 0.03 0.52 0.28 1.03 0.07 0.00 0.00 179.01 180.94 2k49 h SER 45 N 0.53 0.48 -0.73 3.06 0.87 -1.08 -2.16 113.55 114.52 2k49 h SER 45 Ca 0.12 -0.02 0.07 0.00 -1.23 0.00 0.00 61.79 60.73 2k49 h SER 45 Cb 0.25 -0.12 -0.06 0.00 -0.44 0.00 0.00 62.40 62.02 2k49 h SER 45 CO 0.00 0.36 0.42 0.58 -0.53 0.00 0.00 176.83 177.65 2k49 h VAL 46 N 0.57 0.96 -0.90 2.23 2.07 -0.34 0.22 116.25 121.07 2k49 h VAL 46 Ca 0.15 -0.26 0.07 0.00 0.82 0.00 0.00 66.70 67.49 2k49 h VAL 46 Cb -0.06 0.15 -0.06 0.00 -1.52 0.00 0.00 31.29 29.80 2k49 h VAL 46 CO -0.03 0.14 0.58 1.56 0.02 0.00 0.00 177.57 179.83 2k49 h GLN 47 N 0.75 0.95 0.10 1.57 4.20 -0.86 0.39 115.11 122.20 2k49 h GLN 47 Ca 0.33 -0.06 -0.28 0.00 0.06 0.00 0.00 58.65 58.71 2k49 h GLN 47 Cb 0.22 -0.21 0.02 0.00 0.30 0.00 0.00 27.48 27.81 2k49 h GLN 47 CO -0.20 0.63 -1.19 1.15 -0.67 0.00 0.00 178.83 178.55 2k49 h THR 48 N 0.98 1.36 0.00 -0.54 2.02 -0.74 -3.35 112.91 112.64 2k49 h THR 48 Ca 0.39 -2.60 -0.12 0.00 0.77 0.00 0.00 66.41 64.85 2k49 h THR 48 Cb 0.27 2.70 -0.02 0.00 -1.74 0.00 0.00 68.15 69.36 2k49 h THR 48 CO -0.16 0.78 -0.59 0.78 0.37 0.00 0.00 175.52 176.70 2k49 h ASN 49 N 0.22 0.00 -0.91 4.18 2.35 -0.00 -3.39 115.58 118.02 2k49 h ASN 49 Ca -0.16 0.00 0.14 0.00 -0.55 0.00 0.00 56.30 55.74 2k49 h ASN 49 Cb 1.86 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 40.09 2k49 h ASN 49 CO 0.22 0.59 -0.35 -0.24 -1.65 0.00 0.00 177.43 175.99 2k49 n SER 50 N -3.40 -0.59 -0.29 5.81 2.88 0.13 -0.05 113.62 118.11 2k49 n SER 50 Ca 0.01 1.59 0.03 0.00 -1.33 0.00 0.00 58.87 59.17 2k49 n SER 50 Cb 0.71 -0.36 0.12 0.00 -0.75 0.00 0.00 64.21 63.92 2k49 n SER 50 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2k49 n PRO 51 N -5.34 1.37 -3.82 -1.46 -0.04 -1.26 -4.38 135.00 120.07 2k49 n PRO 51 Ca 0.09 -0.57 -0.34 0.00 -0.04 0.00 0.00 63.50 62.64 2k49 n PRO 51 Cb 0.36 -1.15 -0.12 0.00 -0.04 0.00 0.00 33.50 32.56 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 -1.80 3.19 0.58 0.52 1.01 0.93 -4.95 121.20 120.69 2k49 s ILE 52 Ca 0.13 -2.65 0.33 0.00 0.00 0.00 0.00 60.65 58.46 2k49 s ILE 52 Cb 0.07 -3.16 0.37 0.00 0.01 0.00 0.00 42.46 39.74 2k49 s ILE 52 CO 0.09 -0.77 2.26 -0.33 0.00 0.00 0.00 174.94 176.20 2k49 h GLU 53 N 7.34 0.00 -0.07 2.79 5.08 -1.83 -1.59 114.58 126.30 2k49 h GLU 53 Ca -0.07 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2k49 h GLU 53 Cb 0.98 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 2k49 h GLU 53 CO 0.68 0.01 0.08 0.00 -1.00 0.00 0.00 179.01 178.79 2k49 h ALA 54 N 1.99 1.62 0.00 3.43 0.00 -1.93 -0.01 119.26 124.36 2k49 h ALA 54 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k49 h ALA 54 Cb 0.04 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2k49 h ALA 54 CO 0.00 -0.12 -0.65 0.00 0.00 0.00 0.00 179.25 178.48 2k49 h ARG 55 N 0.00 0.00 -6.00 0.00 2.47 -1.61 -3.44 114.38 105.80 2k49 h ARG 55 Ca 0.03 0.00 -0.60 0.00 -1.26 0.00 0.00 59.98 58.15 2k49 h ARG 55 Cb 0.20 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 28.41 2k49 h ARG 55 CO -0.00 0.00 0.63 0.71 0.56 0.00 0.00 179.97 181.87 2k49 s TYR 56 N -3.22 2.78 -0.71 3.04 1.51 -0.02 -2.55 117.35 118.19 2k49 s TYR 56 Ca 0.05 0.10 -0.27 0.00 -1.01 0.00 0.00 57.07 55.93 2k49 s TYR 56 Cb 0.12 -4.13 0.03 0.00 -0.11 0.00 0.00 41.96 37.87 2k49 s TYR 56 CO 0.73 -1.36 1.24 0.00 -1.11 0.00 0.00 175.55 175.05 2k49 s ALA 57 N 4.08 2.82 -0.42 3.71 0.00 0.14 -4.90 121.76 127.19 2k49 s ALA 57 Ca 0.33 -1.32 -0.18 0.00 0.00 0.00 0.00 51.96 50.79 2k49 s ALA 57 Cb -0.11 -4.19 0.02 0.00 0.00 0.00 0.00 23.12 18.84 2k49 s ALA 57 CO 0.21 -3.14 0.47 -1.59 0.00 0.00 0.00 175.76 171.71 2k49 s LYS 58 N 5.46 3.17 0.27 0.00 0.00 -1.26 -0.70 119.74 126.68 2k49 s LYS 58 Ca 0.35 -0.66 0.06 0.00 0.00 0.00 0.00 55.97 55.72 2k49 s LYS 58 Cb -0.09 -3.95 -0.06 0.00 0.00 0.00 0.00 37.83 33.74 2k49 s LYS 58 CO 0.16 -0.85 -0.04 -1.21 0.00 0.00 0.00 175.35 173.41 2k49 s GLU 59 N 2.24 1.51 -0.14 1.78 2.02 -0.66 -4.98 118.70 120.47 2k49 s GLU 59 Ca 0.14 -1.77 -0.01 0.00 0.02 0.00 0.00 54.97 53.35 2k49 s GLU 59 Cb -0.17 -1.03 -0.02 0.00 0.10 0.00 0.00 34.13 33.01 2k49 s GLU 59 CO 0.14 0.00 -0.10 0.08 0.02 0.00 0.00 175.26 175.40 2k49 s VAL 60 N -3.11 3.31 0.83 2.63 1.01 -1.26 -0.58 120.40 123.23 2k49 s VAL 60 Ca 0.29 -0.57 -0.11 0.00 0.00 0.00 0.00 61.98 61.59 2k49 s VAL 60 Cb 0.04 -2.41 0.09 0.00 0.00 0.00 0.00 36.38 34.10 2k49 s VAL 60 CO 0.11 0.52 1.09 0.00 0.00 0.00 0.00 175.10 176.82 2k49 s ALA 61 N 0.32 1.99 0.47 5.51 0.00 0.12 -4.88 121.76 125.29 2k49 s ALA 61 Ca -0.08 -0.02 0.38 0.00 0.00 0.00 0.00 51.96 52.23 2k49 s ALA 61 Cb -0.15 -3.18 1.94 0.00 0.00 0.00 0.00 23.12 21.73 2k49 s ALA 61 CO 0.05 -1.96 2.21 0.87 0.00 0.00 0.00 175.76 176.93 2k49 h LYS 62 N -1.26 0.00 -0.28 0.00 6.56 -2.00 0.12 116.57 119.71 2k49 h LYS 62 Ca -0.47 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.12 2k49 h LYS 62 Cb 1.26 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.92 2k49 h LYS 62 CO 0.55 0.02 0.00 0.09 -2.06 0.00 0.00 179.45 178.06 2k49 n ASN 63 N -3.24 0.53 -1.67 0.86 3.02 -1.26 -4.85 115.26 108.65 2k49 n ASN 63 Ca -0.02 -2.02 -0.16 0.00 -0.03 0.00 0.00 54.58 52.35 2k49 n ASN 63 Cb 0.16 -0.15 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 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 -0.25 -4.83 -4.42 6.41 8.00 0.40 -4.99 116.55 116.87 2k49 n ASP 64 Ca 0.02 0.10 -0.42 0.00 0.71 0.00 0.00 54.79 55.20 2k49 n ASP 64 Cb 0.11 -3.89 -0.11 0.00 -0.02 0.00 0.00 41.12 37.21 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 -4.40 2.91 0.24 -1.24 1.02 -1.22 -4.87 119.74 112.17 2k49 s LYS 65 Ca 0.00 -1.04 -0.30 0.00 0.02 0.00 0.00 55.97 54.65 2k49 s LYS 65 Cb 0.00 -3.84 -0.09 0.00 -0.52 0.00 0.00 37.83 33.38 2k49 s LYS 65 CO 0.00 -0.71 1.21 -1.25 -0.92 0.00 0.00 175.35 173.68 2k49 s PRO 66 N 1.61 4.49 0.28 -1.68 0.04 -1.18 -0.71 135.00 137.85 2k49 s PRO 66 Ca 0.03 1.95 0.03 0.00 0.04 0.00 0.00 61.00 63.06 2k49 s PRO 66 Cb -0.19 -3.19 -0.01 0.00 0.04 0.00 0.00 34.50 31.15 2k49 s PRO 66 CO 0.08 -0.06 0.29 2.48 0.04 0.00 0.00 177.00 179.83 2k49 n TYR 67 N 1.92 -0.88 -3.74 0.56 4.11 0.25 -1.35 117.16 118.04 2k49 n TYR 67 Ca 0.03 -2.15 -0.12 0.00 -0.00 0.00 0.00 57.90 55.65 2k49 n TYR 67 Cb 0.44 0.32 -0.11 0.00 -0.00 0.00 0.00 39.34 39.98 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 -3.17 -0.43 0.13 -3.48 -0.71 -1.26 -1.65 117.98 107.41 2k49 s PHE 68 Ca 0.29 1.00 0.09 0.00 -1.04 0.00 0.00 56.93 57.27 2k49 s PHE 68 Cb 0.01 0.15 -0.04 0.00 -1.21 0.00 0.00 43.02 41.93 2k49 s PHE 68 CO 0.21 -0.23 -0.16 -0.80 -1.34 0.00 0.00 175.22 172.90 2k49 s ASN 69 N 0.63 4.00 -0.13 1.98 -0.87 0.12 -1.93 114.94 118.74 2k49 s ASN 69 Ca -0.04 -0.55 -0.01 0.00 -1.57 0.00 0.00 52.86 50.70 2k49 s ASN 69 Cb -0.05 -0.60 -0.02 0.00 -0.02 0.00 0.00 41.25 40.56 2k49 s ASN 69 CO -0.04 0.17 -0.08 -0.22 -2.57 0.00 0.00 177.10 174.35 2k49 s LEU 70 N -2.26 3.00 0.06 0.60 2.96 0.85 0.25 118.68 124.15 2k49 s LEU 70 Ca 0.19 -0.20 0.09 0.00 -0.22 0.00 0.00 54.13 54.00 2k49 s LEU 70 Cb -0.10 -1.69 -0.03 0.00 0.50 0.00 0.00 46.19 44.87 2k49 s LEU 70 CO 0.11 0.20 -0.26 -0.54 -1.32 0.00 0.00 176.35 174.55 2k49 s LYS 71 N 0.15 1.63 0.99 1.98 1.02 -1.06 -0.95 119.74 123.51 2k49 s LYS 71 Ca -0.04 -1.14 -0.17 0.00 0.02 0.00 0.00 55.97 54.64 2k49 s LYS 71 Cb -0.14 -1.87 0.21 0.00 -0.52 0.00 0.00 37.83 35.51 2k49 s LYS 71 CO 0.04 0.47 1.33 0.00 -0.92 0.00 0.00 175.35 176.27 2k49 s ALA 72 N -0.87 2.14 0.31 5.17 0.00 -0.73 -4.85 121.76 122.93 2k49 s ALA 72 Ca 0.11 -1.24 0.05 0.00 0.00 0.00 0.00 51.96 50.88 2k49 s ALA 72 Cb -0.10 -2.76 0.68 0.00 0.00 0.00 0.00 23.12 20.94 2k49 s ALA 72 CO 0.03 -2.55 1.84 0.00 0.00 0.00 0.00 175.76 175.08 2k49 h ALA 73 N -1.73 1.66 0.00 0.00 0.00 -1.98 0.44 119.26 117.65 2k49 h ALA 73 Ca -0.44 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2k49 h ALA 73 Cb 1.23 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2k49 h ALA 73 CO 0.35 0.08 0.00 -1.71 0.00 0.00 0.00 179.25 177.97 2k49 n ASN 74 N -4.61 0.00 -0.81 0.00 5.15 -1.26 -4.85 115.26 108.89 2k49 n ASN 74 Ca 0.19 -0.87 -0.10 0.00 -0.60 0.00 0.00 54.58 53.20 2k49 n ASN 74 Cb 0.42 0.00 -0.04 0.00 -0.53 0.00 0.00 39.78 39.63 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 -0.90 -0.08 -2.97 1.20 8.25 0.15 -5.01 115.22 115.87 2k49 n HIS 75 Ca 0.14 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.26 2k49 n HIS 75 Cb 0.06 -1.98 -0.06 0.00 1.12 0.00 0.00 29.99 29.13 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 -3.12 4.20 -0.22 -0.41 -2.07 -1.26 -4.76 119.66 112.02 2k49 s GLN 76 Ca 0.00 0.95 -0.29 0.00 -1.82 0.00 0.00 55.36 54.20 2k49 s GLN 76 Cb 0.00 -2.46 -0.02 0.00 -1.09 0.00 0.00 33.01 29.44 2k49 s GLN 76 CO 0.00 0.14 1.56 0.42 -1.32 0.00 0.00 175.29 176.09 2k49 s ILE 77 N -1.94 3.77 -0.34 3.63 -1.09 -1.26 -1.77 121.20 122.20 2k49 s ILE 77 Ca 0.55 0.88 0.05 0.00 -2.23 0.00 0.00 60.65 59.89 2k49 s ILE 77 Cb -0.12 -3.77 -0.03 0.00 -1.58 0.00 0.00 42.46 36.96 2k49 s ILE 77 CO 0.17 -0.31 0.32 2.30 -1.23 0.00 0.00 174.94 176.19 2k49 n ILE 78 N 6.32 0.00 -3.67 2.92 -5.35 -0.12 -4.79 119.36 114.67 2k49 n ILE 78 Ca 0.18 -0.41 -0.12 0.00 -0.27 0.00 0.00 62.75 62.13 2k49 n ILE 78 Cb 0.45 1.03 -0.08 0.00 -1.74 0.00 0.00 39.64 39.30 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 -1.24 -0.47 -0.06 3.28 0.00 -0.68 -4.57 107.32 103.58 2k49 s GLY 79 Ca 0.03 1.82 0.01 0.00 0.00 0.00 0.00 44.72 46.57 2k49 s GLY 79 CO 0.17 1.66 -0.05 -1.59 0.00 0.00 0.00 173.10 173.29 2k49 s THR 80 N 0.65 0.62 0.39 0.90 2.01 0.06 -0.10 115.64 120.16 2k49 s THR 80 Ca -0.03 -0.13 0.01 0.00 0.31 0.00 0.00 61.69 61.86 2k49 s THR 80 Cb -0.05 -0.65 -0.02 0.00 0.01 0.00 0.00 72.50 71.79 2k49 s THR 80 CO -0.04 0.26 0.58 -0.94 -0.69 0.00 0.00 174.62 173.79 2k49 s SER 81 N 1.16 6.04 0.08 3.53 1.04 -0.81 -0.74 113.70 124.01 2k49 s SER 81 Ca -0.07 0.27 -0.26 0.00 0.48 0.00 0.00 55.95 56.37 2k49 s SER 81 Cb -0.14 -1.69 -0.06 0.00 0.10 0.00 0.00 66.02 64.23 2k49 s SER 81 CO -0.01 -0.49 0.82 -1.10 0.98 0.00 0.00 173.24 173.44 2k49 s GLN 82 N -4.39 4.57 -0.26 4.02 -0.21 -1.26 -4.66 119.66 117.47 2k49 s GLN 82 Ca 0.44 1.19 -0.38 0.00 0.02 0.00 0.00 55.36 56.63 2k49 s GLN 82 Cb -0.10 -3.35 -0.14 0.00 1.00 0.00 0.00 33.01 30.42 2k49 s GLN 82 CO 0.36 0.31 1.90 -1.33 -2.12 0.00 0.00 175.29 174.41 2k49 n MET 83 N 2.61 1.35 -2.68 2.91 2.81 -1.26 -4.85 117.12 118.01 2k49 n MET 83 Ca -0.02 0.47 -0.24 0.00 -1.81 0.00 0.00 57.70 56.10 2k49 n MET 83 Cb 0.50 -2.31 0.03 0.00 -0.71 0.00 0.00 33.22 30.72 2k49 n MET 83 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 2k49 s TYR 84 N 4.71 3.15 -0.36 2.03 2.02 -0.45 -4.94 117.35 123.51 2k49 s TYR 84 Ca 1.00 0.34 0.23 0.00 -0.37 0.00 0.00 57.07 58.27 2k49 s TYR 84 Cb -0.94 -2.58 0.13 0.00 -0.40 0.00 0.00 41.96 38.16 2k49 s TYR 84 CO 0.58 -0.67 1.18 1.03 -1.57 0.00 0.00 175.55 176.11 2k49 h SER 85 N 0.09 0.00 -4.86 2.29 0.87 -1.93 -3.11 113.55 106.89 2k49 h SER 85 Ca -0.45 -0.05 -0.20 0.00 -1.23 0.00 0.00 61.79 59.85 2k49 h SER 85 Cb 1.27 0.00 -0.18 0.00 -0.44 0.00 0.00 62.40 63.05 2k49 h SER 85 CO 0.58 0.03 -0.70 -0.94 -0.53 0.00 0.00 176.83 175.26 2k49 s SER 86 N -5.20 0.75 0.26 6.23 1.04 -1.26 -4.85 113.70 110.67 2k49 s SER 86 Ca 0.02 -0.78 -0.02 0.00 0.48 0.00 0.00 55.95 55.65 2k49 s SER 86 Cb 0.10 0.10 0.33 0.00 0.10 0.00 0.00 66.02 66.65 2k49 s SER 86 CO 0.76 -0.39 1.75 0.71 0.98 0.00 0.00 173.24 177.04 2k49 h THR 87 N 3.75 1.25 -0.74 2.02 1.35 -1.91 -2.56 112.91 116.06 2k49 h THR 87 Ca -0.35 -1.05 0.07 0.00 -0.55 0.00 0.00 66.41 64.54 2k49 h THR 87 Cb 1.18 0.94 -0.06 0.00 -1.73 0.00 0.00 68.15 68.48 2k49 h THR 87 CO 0.54 0.36 0.42 0.00 -0.25 0.00 0.00 175.52 176.59 2k49 h ALA 88 N 1.25 1.01 -0.64 6.62 0.00 -1.99 -0.09 119.26 125.42 2k49 h ALA 88 Ca 0.13 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 2k49 h ALA 88 Cb 0.49 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2k49 h ALA 88 CO 0.03 0.10 0.16 0.00 0.00 0.00 0.00 179.25 179.53 2k49 h ALA 89 N 1.38 1.06 0.55 0.00 0.00 -1.91 0.10 119.26 120.45 2k49 h ALA 89 Ca 0.34 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 2k49 h ALA 89 Cb 0.23 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 17.77 2k49 h ALA 89 CO -0.20 0.62 -0.27 -0.09 0.00 0.00 0.00 179.25 179.32 2k49 h ARG 90 N 0.96 -0.72 -0.48 0.00 2.43 -0.93 -1.49 114.38 114.16 2k49 h ARG 90 Ca 0.21 0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.41 2k49 h ARG 90 Cb 0.34 0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 2k49 h ARG 90 CO 0.00 -0.44 0.24 -0.44 -1.51 0.00 0.00 179.97 177.81 2k49 h ASP 91 N -0.82 0.60 -0.77 -3.80 5.19 -1.02 -1.51 116.42 114.29 2k49 h ASP 91 Ca -0.08 -0.05 0.06 0.00 -0.62 0.00 0.00 57.03 56.34 2k49 h ASP 91 Cb 0.60 -0.15 -0.06 0.00 0.18 0.00 0.00 39.33 39.90 2k49 h ASP 91 CO 0.12 0.51 0.46 -1.13 -3.12 0.00 0.00 179.24 176.08 2k49 h ASN 92 N 0.67 0.71 0.24 6.45 -1.24 -0.65 0.18 115.58 121.94 2k49 h ASN 92 Ca 0.17 0.02 -0.01 0.00 0.71 0.00 0.00 56.30 57.19 2k49 h ASN 92 Cb 0.06 -0.12 0.00 0.00 0.73 0.00 0.00 38.32 38.99 2k49 h ASN 92 CO -0.02 0.45 -0.12 1.23 -1.29 0.00 0.00 177.43 177.68 2k49 h GLY 93 N 0.84 -0.34 0.32 1.57 0.00 -0.31 -1.75 103.07 103.40 2k49 h GLY 93 Ca 0.34 0.12 0.11 0.00 0.00 0.00 0.00 47.33 47.90 2k49 h GLY 93 CO -0.17 -0.12 0.28 -2.22 0.00 0.00 0.00 176.54 174.30 2k49 h ILE 94 N -0.36 0.74 -0.58 2.60 2.04 -0.87 0.14 117.51 121.22 2k49 h ILE 94 Ca -0.03 -0.16 0.04 0.00 1.00 0.00 0.00 64.86 65.71 2k49 h ILE 94 Cb 0.27 0.24 -0.04 0.00 -0.74 0.00 0.00 36.82 36.55 2k49 h ILE 94 CO 0.05 0.08 0.33 0.11 0.00 0.00 0.00 178.15 178.73 2k49 h LYS 95 N 0.46 0.61 -0.24 2.37 1.57 -0.90 -0.84 116.57 119.60 2k49 h LYS 95 Ca 0.36 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.07 2k49 h LYS 95 Cb 0.47 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.62 2k49 h LYS 95 CO -0.33 0.41 0.04 0.77 -0.57 0.00 0.00 179.45 179.76 2k49 h SER 96 N 0.63 0.31 -0.07 0.86 0.02 -0.04 -1.78 113.55 113.49 2k49 h SER 96 Ca 0.25 -0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 61.03 2k49 h SER 96 Cb 0.10 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2k49 h SER 96 CO -0.14 0.34 -0.40 0.58 -1.14 0.00 0.00 176.83 176.07 2k49 h VAL 97 N 0.34 1.30 -0.16 2.27 2.07 0.17 0.04 116.25 122.27 2k49 h VAL 97 Ca 0.08 -1.57 -0.07 0.00 0.82 0.00 0.00 66.70 65.96 2k49 h VAL 97 Cb 0.17 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.46 2k49 h VAL 97 CO -0.00 0.50 -0.21 0.24 0.02 0.00 0.00 177.57 178.12 2k49 h MET 98 N 0.49 0.28 0.01 1.57 2.07 -0.40 0.62 114.93 119.55 2k49 h MET 98 Ca 0.04 -0.08 -0.01 0.00 -2.07 0.00 0.00 59.70 57.58 2k49 h MET 98 Cb 0.91 -0.03 0.00 0.00 -1.87 0.00 0.00 31.60 30.61 2k49 h MET 98 CO 0.08 0.48 -0.06 1.49 1.07 0.00 0.00 176.91 179.97 2k49 h GLU 99 N 0.25 0.02 0.01 1.72 4.81 -1.12 -3.40 114.58 116.87 2k49 h GLU 99 Ca 0.04 -0.04 -0.31 0.00 -0.13 0.00 0.00 59.36 58.93 2k49 h GLU 99 Cb 0.51 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.86 2k49 h GLU 99 CO 0.03 0.95 -1.82 0.09 -0.73 0.00 0.00 179.01 177.53 2k49 n ASN 100 N -4.61 0.86 0.02 1.04 3.02 -0.02 -4.21 115.26 111.37 2k49 n ASN 100 Ca -0.10 0.34 0.03 0.00 -0.03 0.00 0.00 54.58 54.82 2k49 n ASN 100 Cb 0.47 0.02 0.13 0.00 -0.61 0.00 0.00 39.78 39.79 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 1.62 -0.64 0.53 7.41 0.00 0.22 -0.97 105.19 113.35 2k49 n GLY 101 Ca -0.20 0.02 0.07 0.00 0.00 0.00 0.00 46.02 45.91 2k49 n GLY 101 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2k49 n LYS 102 N -1.62 1.67 -2.71 1.61 2.85 -1.26 -3.78 118.16 114.92 2k49 n LYS 102 Ca 0.00 -1.03 -0.37 0.00 -1.05 0.00 0.00 58.31 55.86 2k49 n LYS 102 Cb 0.03 -1.28 -0.06 0.00 -0.65 0.00 0.00 35.03 33.08 2k49 n LYS 102 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 2k49 s THR 103 N -1.67 4.05 -2.14 0.58 -1.32 -0.14 -4.96 115.64 110.04 2k49 s THR 103 Ca 0.24 1.73 0.21 0.00 -1.21 0.00 0.00 61.69 62.66 2k49 s THR 103 Cb 0.12 -3.97 0.41 0.00 -1.51 0.00 0.00 72.50 67.56 2k49 s THR 103 CO 0.18 0.17 1.36 0.35 -2.21 0.00 0.00 174.62 174.46 2k49 n THR 104 N 0.58 0.59 -2.56 5.08 -2.24 -1.26 -4.92 114.28 109.55 2k49 n THR 104 Ca 0.02 -0.79 -0.41 0.00 -2.27 0.00 0.00 64.05 60.59 2k49 n THR 104 Cb 0.49 0.89 -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 -1.32 3.82 -0.29 4.28 2.01 -1.26 -4.99 115.64 117.89 2k49 s THR 105 Ca 0.36 0.58 -0.03 0.00 0.31 0.00 0.00 61.69 62.92 2k49 s THR 105 Cb 0.21 -4.85 0.04 0.00 0.01 0.00 0.00 72.50 67.91 2k49 s THR 105 CO 0.29 -1.68 0.01 -0.63 -0.69 0.00 0.00 174.62 171.92 2k49 s ILE 106 N 5.48 3.18 -0.48 1.82 1.01 -1.26 -1.01 121.20 129.94 2k49 s ILE 106 Ca 0.38 -1.19 -0.24 0.00 0.00 0.00 0.00 60.65 59.60 2k49 s ILE 106 Cb -0.08 -2.75 0.03 0.00 0.01 0.00 0.00 42.46 39.67 2k49 s ILE 106 CO 0.19 -0.03 0.88 -0.54 0.00 0.00 0.00 174.94 175.44 2k49 s LYS 107 N 1.32 3.44 -0.49 2.79 1.02 0.10 -4.98 119.74 122.93 2k49 s LYS 107 Ca -0.03 -0.04 -0.28 0.00 0.02 0.00 0.00 55.97 55.64 2k49 s LYS 107 Cb -0.19 -3.96 0.03 0.00 -0.52 0.00 0.00 37.83 33.19 2k49 s LYS 107 CO -0.01 -1.24 1.10 0.34 -0.92 0.00 0.00 175.35 174.62 2k49 s ASP 108 N 2.35 6.57 0.00 2.83 -1.08 -1.26 -0.90 116.67 125.18 2k49 s ASP 108 Ca 0.33 0.31 0.23 0.00 -0.52 0.00 0.00 52.55 52.90 2k49 s ASP 108 Cb -0.11 -2.53 0.17 0.00 -1.46 0.00 0.00 42.92 38.99 2k49 s ASP 108 CO 0.23 -1.25 1.22 0.18 0.52 0.00 0.00 175.17 176.08 2k49 n LEU 109 N 7.79 2.87 0.07 -1.34 4.77 0.77 -4.50 117.00 127.43 2k49 n LEU 109 Ca 0.10 -0.98 -0.06 0.00 -0.03 0.00 0.00 56.01 55.04 2k49 n LEU 109 Cb 0.49 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.49 2k49 n LEU 109 CO 0.70 0.48 0.19 0.71 -1.33 0.00 0.00 177.39 178.14 2k49 h THR 110 N 4.40 1.65 0.00 -5.08 1.35 -1.88 -3.37 112.91 109.97 2k49 h THR 110 Ca 0.00 -3.25 0.00 0.00 -0.55 0.00 0.00 66.41 62.61 2k49 h THR 110 Cb 0.95 2.77 0.00 0.00 -1.73 0.00 0.00 68.15 70.14 2k49 h THR 110 CO 0.00 0.92 0.00 0.18 -0.25 0.00 0.00 175.52 176.37 2k49 n LEU 111 N -3.38 0.00 -4.92 3.87 4.77 -1.26 -4.83 117.00 111.25 2k49 n LEU 111 Ca 0.00 0.85 -0.26 0.00 -0.03 0.00 0.00 56.01 56.56 2k49 n LEU 111 Cb 0.90 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 41.63 2k49 n LEU 111 CO 0.46 -0.35 0.20 -1.61 -1.33 0.00 0.00 177.39 174.77 2k49 s GLU 112 N -2.38 3.55 -0.96 3.23 0.41 -1.26 -5.00 118.70 116.30 2k49 s GLU 112 Ca 0.00 -0.14 -0.25 0.00 -0.41 0.00 0.00 54.97 54.17 2k49 s GLU 112 Cb 0.00 -2.64 -0.09 0.00 -1.78 0.00 0.00 34.13 29.62 2k49 s GLU 112 CO 0.00 0.15 2.05 -1.58 -0.49 0.00 0.00 175.26 175.39 2k49 s HIS 113 N -2.24 1.66 0.36 1.61 5.65 -1.26 -4.95 115.29 116.12 2k49 s HIS 113 Ca 0.42 0.99 -0.25 0.00 0.25 0.00 0.00 55.06 56.48 2k49 s HIS 113 Cb -0.10 -3.86 -0.10 0.00 -1.18 0.00 0.00 32.58 27.34 2k49 s HIS 113 CO 0.34 -1.51 0.98 -1.01 -0.65 0.00 0.00 174.74 172.90 2k49 s HIS 114 N 11.75 3.51 -0.54 3.88 3.76 -1.26 -4.99 115.29 131.40 2k49 s HIS 114 Ca 0.75 1.72 -0.26 0.00 -0.15 0.00 0.00 55.06 57.12 2k49 s HIS 114 Cb -0.06 -3.00 0.03 0.00 1.11 0.00 0.00 32.58 30.66 2k49 s HIS 114 CO 0.05 -0.12 1.03 -1.01 -0.85 0.00 0.00 174.74 173.84 2k49 s HIS 115 N -1.67 2.76 -1.17 1.40 3.76 -1.26 -4.95 115.29 114.16 2k49 s HIS 115 Ca 0.54 0.23 -0.22 0.00 -0.15 0.00 0.00 55.06 55.45 2k49 s HIS 115 Cb -0.19 -4.21 -0.04 0.00 1.11 0.00 0.00 32.58 29.24 2k49 s HIS 115 CO 0.24 -1.38 1.87 -1.58 -0.85 0.00 0.00 174.74 173.05 2k49 s HIS 116 N 4.26 2.14 -0.15 1.40 2.46 -1.26 -4.93 115.29 119.21 2k49 s HIS 116 Ca 0.36 -0.02 -0.04 0.00 0.47 0.00 0.00 55.06 55.84 2k49 s HIS 116 Cb -0.10 -4.20 -0.03 0.00 -0.13 0.00 0.00 32.58 28.12 2k49 s HIS 116 CO 0.23 -1.43 -0.03 -1.58 -2.47 0.00 0.00 174.74 169.47 2k49 s HIS 117 N 9.20 3.05 -2.46 3.88 5.04 -1.26 -5.36 115.29 127.38 2k49 s HIS 117 Ca 0.64 -0.20 0.28 0.00 -1.54 0.00 0.00 55.06 54.24 2k49 s HIS 117 Cb -0.00 -1.94 1.12 0.00 0.04 0.00 0.00 32.58 31.80 2k49 s HIS 117 CO 0.09 0.04 1.79 1.58 -2.34 0.00 0.00 174.74 175.90