#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k54 n ASN 2 N 0.00 6.13 0.07 7.83 4.13 -1.26 -4.71 115.26 127.45 2k54 n ASN 2 Ca 0.00 -3.78 -0.02 0.00 1.68 0.00 0.00 54.58 52.46 2k54 n ASN 2 Cb 0.00 -0.76 0.24 0.00 -1.54 0.00 0.00 39.78 37.73 2k54 n ASN 2 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 2k54 h SER 3 N 2.74 0.32 0.16 6.41 4.64 -1.99 -2.26 113.55 123.57 2k54 h SER 3 Ca 0.44 -0.11 -0.00 0.00 -0.47 0.00 0.00 61.79 61.64 2k54 h SER 3 Cb 0.52 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.52 2k54 h SER 3 CO 1.15 0.63 -0.00 1.05 -0.87 0.00 0.00 176.83 178.78 2k54 h GLU 4 N 0.27 0.00 0.00 4.77 4.11 -2.00 0.07 114.58 121.80 2k54 h GLU 4 Ca 0.04 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.19 2k54 h GLU 4 Cb 0.70 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.90 2k54 h GLU 4 CO 0.05 0.00 -1.75 -0.89 0.07 0.00 0.00 179.01 176.49 2k54 n ILE 5 N -3.13 1.47 0.15 -1.06 2.08 -0.87 -3.98 119.36 114.01 2k54 n ILE 5 Ca -0.02 -0.78 0.01 0.00 0.56 0.00 0.00 62.75 62.52 2k54 n ILE 5 Cb 0.11 -0.88 0.17 0.00 -0.75 0.00 0.00 39.64 38.29 2k54 n ILE 5 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 2k54 h GLU 6 N 0.00 0.00 0.53 0.38 5.08 -1.06 -3.35 114.58 116.16 2k54 h GLU 6 Ca -0.29 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.04 2k54 h GLU 6 Cb 1.95 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.20 2k54 h GLU 6 CO 0.06 0.55 -0.26 -0.07 -1.00 0.00 0.00 179.01 178.30 2k54 h LEU 7 N 0.00 -0.61 0.33 1.33 3.38 -1.15 -2.00 115.31 116.59 2k54 h LEU 7 Ca -0.01 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 2k54 h LEU 7 Cb 1.18 0.16 -0.02 0.00 0.09 0.00 0.00 40.66 42.07 2k54 h LEU 7 CO 0.07 -0.43 -0.30 1.55 0.09 0.00 0.00 178.44 179.42 2k54 h PRO 8 N -0.71 -0.62 -0.44 1.13 0.13 -1.75 -1.69 132.00 128.05 2k54 h PRO 8 Ca -0.07 0.04 -0.04 0.00 -0.87 0.00 0.00 66.00 65.06 2k54 h PRO 8 Cb 0.55 0.14 -0.02 0.00 0.13 0.00 0.00 31.00 31.80 2k54 h PRO 8 CO 0.12 -0.42 0.12 -0.39 -0.23 0.00 0.00 178.00 177.20 2k54 h VAL 9 N -0.65 1.19 0.07 1.56 -1.51 -1.69 -1.04 116.25 114.19 2k54 h VAL 9 Ca -0.02 -0.67 -0.00 0.00 -1.23 0.00 0.00 66.70 64.78 2k54 h VAL 9 Cb 0.58 0.73 0.00 0.00 -2.13 0.00 0.00 31.29 30.47 2k54 h VAL 9 CO -0.04 0.25 -0.03 -0.61 -1.23 0.00 0.00 177.57 175.90 2k54 h GLN 10 N 0.64 -0.09 0.00 5.19 5.75 -1.34 -2.48 115.11 122.77 2k54 h GLN 10 Ca 0.15 0.01 -0.02 0.00 -0.15 0.00 0.00 58.65 58.63 2k54 h GLN 10 Cb 0.22 0.02 -0.00 0.00 1.07 0.00 0.00 27.48 28.79 2k54 h GLN 10 CO -0.01 0.47 -0.12 0.87 -2.65 0.00 0.00 178.83 177.40 2k54 h LYS 11 N -0.78 0.00 -0.02 1.69 1.79 -1.02 -0.85 116.57 117.38 2k54 h LYS 11 Ca -0.01 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.29 2k54 h LYS 11 Cb 0.61 0.00 0.01 0.00 -1.58 0.00 0.00 32.23 31.27 2k54 h LYS 11 CO 0.02 0.12 -0.64 1.96 -1.08 0.00 0.00 179.45 179.82 2k54 h GLN 12 N 0.00 0.47 0.19 3.15 4.20 -1.30 -2.99 115.11 118.83 2k54 h GLN 12 Ca -0.00 -0.48 -0.01 0.00 0.06 0.00 0.00 58.65 58.22 2k54 h GLN 12 Cb 0.23 0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.15 2k54 h GLN 12 CO 0.02 1.12 -0.09 1.25 -0.67 0.00 0.00 178.83 180.46 2k54 h LEU 13 N 0.00 -0.21 -1.97 1.46 7.12 -0.81 0.31 115.31 121.20 2k54 h LEU 13 Ca -0.07 -0.08 -0.02 0.00 0.13 0.00 0.00 57.88 57.84 2k54 h LEU 13 Cb 1.33 0.06 -0.00 0.00 -0.53 0.00 0.00 40.66 41.51 2k54 h LEU 13 CO 0.13 -0.06 -0.11 1.05 -0.13 0.00 0.00 178.44 179.32 2k54 h GLU 14 N -0.36 0.00 0.00 1.25 4.11 -1.34 0.54 114.58 118.78 2k54 h GLU 14 Ca -0.03 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.24 2k54 h GLU 14 Cb 0.28 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.50 2k54 h GLU 14 CO 0.04 0.11 -0.82 0.00 0.07 0.00 0.00 179.01 178.41 2k54 h ALA 15 N 1.89 0.52 -0.14 1.06 0.00 -1.32 -3.17 119.26 118.10 2k54 h ALA 15 Ca -0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 54.91 54.15 2k54 h ALA 15 Cb 0.27 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2k54 h ALA 15 CO 0.01 0.97 -0.02 -0.92 0.00 0.00 0.00 179.25 179.30 2k54 h TYR 16 N 0.00 0.29 0.00 0.00 3.20 0.19 0.79 116.97 121.44 2k54 h TYR 16 Ca -0.02 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 61.79 2k54 h TYR 16 Cb 1.60 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.80 2k54 h TYR 16 CO 0.00 0.52 0.00 0.27 -1.64 0.00 0.00 178.16 177.31 2k54 n ASN 17 N -4.73 0.75 -0.61 -2.11 6.94 -1.06 -3.18 115.26 111.27 2k54 n ASN 17 Ca -0.06 0.59 0.12 0.00 -0.02 0.00 0.00 54.58 55.22 2k54 n ASN 17 Cb 0.24 -0.79 0.14 0.00 -2.36 0.00 0.00 39.78 37.01 2k54 n ASN 17 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2k54 n ALA 18 N -1.77 3.03 -1.86 -2.53 0.00 -0.97 -4.93 120.51 111.48 2k54 n ALA 18 Ca 0.05 -0.60 -0.13 0.00 0.00 0.00 0.00 53.44 52.76 2k54 n ALA 18 Cb 0.38 -0.89 -0.03 0.00 0.00 0.00 0.00 19.45 18.91 2k54 n ALA 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2k54 n ARG 19 N 0.34 -0.98 -3.04 0.00 5.12 0.06 -4.99 116.66 113.17 2k54 n ARG 19 Ca 0.12 0.78 -0.44 0.00 -1.93 0.00 0.00 57.85 56.38 2k54 n ARG 19 Cb 0.48 -4.93 -0.04 0.00 -1.16 0.00 0.00 32.46 26.81 2k54 n ARG 19 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2k54 s ASP 20 N -2.61 6.18 0.29 0.55 1.01 -0.02 -4.89 116.67 117.17 2k54 s ASP 20 Ca 0.00 -1.30 0.09 0.00 0.71 0.00 0.00 52.55 52.04 2k54 s ASP 20 Cb 0.00 -2.34 0.44 0.00 1.01 0.00 0.00 42.92 42.03 2k54 s ASP 20 CO 0.00 -1.21 1.67 0.40 0.21 0.00 0.00 175.17 176.24 2k54 h ILE 21 N 5.94 1.36 -0.45 0.77 1.08 -1.94 -2.47 117.51 121.80 2k54 h ILE 21 Ca -0.29 -1.76 -0.01 0.00 -0.39 0.00 0.00 64.86 62.41 2k54 h ILE 21 Cb 1.08 1.90 -0.02 0.00 -3.07 0.00 0.00 36.82 36.71 2k54 h ILE 21 CO 1.13 0.51 0.26 0.44 -0.69 0.00 0.00 178.15 179.79 2k54 h ASP 22 N 0.09 0.56 0.89 1.72 3.32 -1.97 0.37 116.42 121.39 2k54 h ASP 22 Ca 0.00 -0.08 -0.21 0.00 0.02 0.00 0.00 57.03 56.76 2k54 h ASP 22 Cb 0.94 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.32 2k54 h ASP 22 CO 0.07 0.48 -0.99 0.00 -1.72 0.00 0.00 179.24 177.08 2k54 h ALA 23 N 1.11 0.39 0.00 3.45 0.00 -1.92 0.82 119.26 123.10 2k54 h ALA 23 Ca 0.16 -0.86 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2k54 h ALA 23 Cb 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2k54 h ALA 23 CO -0.03 1.15 0.00 0.34 0.00 0.00 0.00 179.25 180.71 2k54 n PHE 24 N -3.44 0.00 -0.04 0.00 7.35 -0.93 -3.08 117.46 117.33 2k54 n PHE 24 Ca -0.01 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.64 2k54 n PHE 24 Cb 0.91 -0.30 -0.06 0.00 0.35 0.00 0.00 39.48 40.39 2k54 n PHE 24 CO 0.00 0.00 0.00 -0.12 -0.76 0.00 0.00 176.76 175.88 2k54 n MET 25 N -1.30 2.67 0.01 -4.13 1.56 0.13 -4.83 117.12 111.22 2k54 n MET 25 Ca 0.09 -0.00 0.10 0.00 -0.27 0.00 0.00 57.70 57.62 2k54 n MET 25 Cb 0.16 -1.19 0.53 0.00 2.15 0.00 0.00 33.22 34.87 2k54 n MET 25 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2k54 h ALA 26 N 0.34 1.99 -0.53 -5.12 0.00 -0.76 -2.02 119.26 113.16 2k54 h ALA 26 Ca -0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.70 2k54 h ALA 26 Cb 1.45 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2k54 h ALA 26 CO 0.01 -0.07 0.00 0.91 0.00 0.00 0.00 179.25 180.10 2k54 n TRP 27 N -4.47 0.70 -3.43 0.00 7.02 -1.26 -4.93 117.44 111.08 2k54 n TRP 27 Ca 0.06 -0.35 -0.26 0.00 -1.02 0.00 0.00 57.50 55.93 2k54 n TRP 27 Cb 0.27 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.14 2k54 n TRP 27 CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 2k54 s TRP 28 N -1.30 3.49 0.43 -5.99 0.52 -0.76 -1.78 118.94 113.56 2k54 s TRP 28 Ca 0.42 0.43 -0.22 0.00 0.02 0.00 0.00 56.10 56.75 2k54 s TRP 28 Cb 0.23 -1.94 -0.09 0.00 -1.15 0.00 0.00 33.47 30.51 2k54 s TRP 28 CO 0.31 0.18 1.01 0.00 0.02 0.00 0.00 176.95 178.47 2k54 s ALA 29 N -2.17 3.00 0.29 0.98 0.00 -0.49 -4.62 121.76 118.75 2k54 s ALA 29 Ca 0.41 0.57 0.26 0.00 0.00 0.00 0.00 51.96 53.20 2k54 s ALA 29 Cb -0.10 -3.23 1.22 0.00 0.00 0.00 0.00 23.12 21.02 2k54 s ALA 29 CO 0.33 -0.13 1.96 0.22 0.00 0.00 0.00 175.76 178.14 2k54 h ASP 30 N 2.03 0.00 -0.42 0.00 3.58 -1.96 -2.45 116.42 117.20 2k54 h ASP 30 Ca -0.49 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.96 2k54 h ASP 30 Cb 1.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.26 2k54 h ASP 30 CO 0.61 0.17 0.00 0.47 -2.88 0.00 0.00 179.24 177.61 2k54 n ASP 31 N -3.51 4.50 -4.77 2.28 9.92 -1.26 -1.75 116.55 121.97 2k54 n ASP 31 Ca -0.01 -2.82 -0.41 0.00 -0.53 0.00 0.00 54.79 51.02 2k54 n ASP 31 Cb 0.32 -0.57 -0.02 0.00 -0.64 0.00 0.00 41.12 40.22 2k54 n ASP 31 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k54 s GLN 33 N -1.58 3.79 -0.20 0.00 -1.52 -1.01 -0.76 119.66 118.37 2k54 s GLN 33 Ca 0.52 -0.02 -0.01 0.00 -1.95 0.00 0.00 55.36 53.90 2k54 s GLN 33 Cb -0.42 -3.27 0.06 0.00 -0.22 0.00 0.00 33.01 29.15 2k54 s GLN 33 CO 0.54 0.59 -0.01 -0.47 -0.25 0.00 0.00 175.29 175.69 2k54 s TYR 34 N -0.55 1.56 0.12 0.91 5.04 0.15 -0.36 117.35 124.23 2k54 s TYR 34 Ca 0.15 -1.17 0.06 0.00 -2.44 0.00 0.00 57.07 53.68 2k54 s TYR 34 Cb -0.13 -1.24 -0.04 0.00 0.35 0.00 0.00 41.96 40.90 2k54 s TYR 34 CO 0.05 -0.66 -0.00 0.71 -1.34 0.00 0.00 175.55 174.31 2k54 s TYR 35 N 1.68 2.93 0.24 4.97 1.51 -0.45 -0.50 117.35 127.72 2k54 s TYR 35 Ca -0.02 -0.07 0.09 0.00 -1.01 0.00 0.00 57.07 56.05 2k54 s TYR 35 Cb -0.17 -1.47 -0.04 0.00 -0.11 0.00 0.00 41.96 40.16 2k54 s TYR 35 CO -0.07 0.49 0.00 0.00 -1.11 0.00 0.00 175.55 174.86 2k54 s ALA 36 N -1.46 3.18 0.21 3.71 0.00 -0.17 -2.58 121.76 124.65 2k54 s ALA 36 Ca 0.26 -1.57 -0.32 0.00 0.00 0.00 0.00 51.96 50.34 2k54 s ALA 36 Cb -0.11 -0.85 -0.11 0.00 0.00 0.00 0.00 23.12 22.05 2k54 s ALA 36 CO 0.18 0.32 1.66 0.12 0.00 0.00 0.00 175.76 178.05 2k54 s PHE 37 N -2.14 2.92 -0.09 0.00 5.36 -0.69 -1.80 117.98 121.55 2k54 s PHE 37 Ca 0.30 0.48 -0.11 0.00 -0.96 0.00 0.00 56.93 56.64 2k54 s PHE 37 Cb -0.07 -4.07 -0.09 0.00 -0.34 0.00 0.00 43.02 38.45 2k54 s PHE 37 CO 0.20 -3.98 0.40 -1.00 -1.46 0.00 0.00 175.22 169.37 2k54 h PRO 38 N 6.49 -0.13 -1.75 10.12 0.13 -2.00 -3.45 132.00 141.43 2k54 h PRO 38 Ca -0.44 0.01 -0.38 0.00 -0.87 0.00 0.00 66.00 64.32 2k54 h PRO 38 Cb 1.20 0.03 -0.28 0.00 0.13 0.00 0.00 31.00 32.08 2k54 h PRO 38 CO 0.92 0.16 -0.74 0.00 -0.23 0.00 0.00 178.00 178.11 2k54 s ALA 39 N -2.93 -0.29 -0.24 -0.56 0.00 -0.99 -5.01 121.76 111.74 2k54 s ALA 39 Ca -0.07 -1.42 -0.00 0.00 0.00 0.00 0.00 51.96 50.47 2k54 s ALA 39 Cb -0.00 -2.12 0.07 0.00 0.00 0.00 0.00 23.12 21.07 2k54 s ALA 39 CO 0.25 -2.11 0.00 0.99 0.00 0.00 0.00 175.76 174.89 2k54 s THR 40 N 0.59 1.14 -0.49 0.00 2.01 -0.74 -4.94 115.64 113.20 2k54 s THR 40 Ca 0.29 -1.08 -0.27 0.00 0.31 0.00 0.00 61.69 60.95 2k54 s THR 40 Cb -0.00 -1.57 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 2k54 s THR 40 CO -0.11 -0.24 2.05 -0.22 -0.69 0.00 0.00 174.62 175.40 2k54 s LEU 41 N 1.56 3.38 0.28 4.42 2.96 -1.26 -0.99 118.68 129.01 2k54 s LEU 41 Ca -0.01 0.86 0.15 0.00 -0.22 0.00 0.00 54.13 54.90 2k54 s LEU 41 Cb -0.18 -2.78 0.14 0.00 0.50 0.00 0.00 46.19 43.87 2k54 s LEU 41 CO -0.09 -2.38 1.48 -0.07 -1.32 0.00 0.00 176.35 173.96 2k54 h LEU 42 N 16.82 0.00 -6.78 -0.68 3.38 -1.14 -3.46 115.31 123.45 2k54 h LEU 42 Ca -0.28 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.71 2k54 h LEU 42 Cb 1.20 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.72 2k54 h LEU 42 CO 1.15 0.54 -0.25 0.00 0.09 0.00 0.00 178.44 179.96 2k54 s ALA 43 N -3.04 -1.79 -0.51 1.53 0.00 -1.00 -4.82 121.76 112.14 2k54 s ALA 43 Ca 0.03 1.91 0.01 0.00 0.00 0.00 0.00 51.96 53.91 2k54 s ALA 43 Cb 0.08 -1.74 0.49 0.00 0.00 0.00 0.00 23.12 21.96 2k54 s ALA 43 CO 0.74 -1.00 1.94 0.41 0.00 0.00 0.00 175.76 177.85 2k54 n GLY 44 N 5.42 4.92 0.00 0.00 0.00 -1.26 -0.67 105.19 113.60 2k54 n GLY 44 Ca -0.08 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.39 2k54 n GLY 44 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k54 n ASN 45 N -0.81 0.00 0.21 1.61 0.23 0.06 -4.75 115.26 111.81 2k54 n ASN 45 Ca 0.55 0.00 0.07 0.00 -0.53 0.00 0.00 54.58 54.67 2k54 n ASN 45 Cb 1.07 0.00 0.45 0.00 -2.08 0.00 0.00 39.78 39.22 2k54 n ASN 45 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2k54 h ALA 46 N 0.00 1.13 -0.70 -2.53 0.00 -1.48 -2.94 119.26 112.74 2k54 h ALA 46 Ca 0.00 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2k54 h ALA 46 Cb 0.00 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2k54 h ALA 46 CO 0.00 0.37 0.32 0.00 0.00 0.00 0.00 179.25 179.93 2k54 h ALA 47 N 1.71 0.91 0.00 0.00 0.00 -1.93 -1.57 119.26 118.38 2k54 h ALA 47 Ca -0.00 -0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 2k54 h ALA 47 Cb 0.70 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2k54 h ALA 47 CO 0.04 0.49 -0.75 0.93 0.00 0.00 0.00 179.25 179.96 2k54 h GLU 48 N 0.98 0.00 0.08 0.00 5.08 -1.91 -3.18 114.58 115.64 2k54 h GLU 48 Ca 0.24 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2k54 h GLU 48 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 2k54 h GLU 48 CO -0.03 0.75 -0.04 0.82 -1.00 0.00 0.00 179.01 179.52 2k54 h ILE 49 N 0.00 1.06 0.16 3.13 2.04 -1.26 -2.75 117.51 119.88 2k54 h ILE 49 Ca -0.01 -0.47 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 2k54 h ILE 49 Cb 1.39 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.84 2k54 h ILE 49 CO 0.10 0.12 -0.08 0.08 0.00 0.00 0.00 178.15 178.37 2k54 h ARG 50 N -0.32 -0.20 -0.62 2.37 0.11 -1.39 -2.76 114.38 111.57 2k54 h ARG 50 Ca -0.01 0.01 -0.06 0.00 0.10 0.00 0.00 59.98 60.03 2k54 h ARG 50 Cb 0.27 0.05 -0.03 0.00 1.11 0.00 0.00 29.97 31.37 2k54 h ARG 50 CO 0.02 -0.11 0.16 -0.39 0.10 0.00 0.00 179.97 179.75 2k54 h VAL 51 N -0.24 1.24 -0.72 0.08 -1.51 -1.63 0.15 116.25 113.62 2k54 h VAL 51 Ca -0.02 -0.87 -0.02 0.00 -1.23 0.00 0.00 66.70 64.56 2k54 h VAL 51 Cb 0.19 0.59 -0.03 0.00 -2.13 0.00 0.00 31.29 29.90 2k54 h VAL 51 CO 0.04 0.33 0.36 -0.09 -1.23 0.00 0.00 177.57 176.98 2k54 h ARG 52 N 0.93 1.02 0.06 5.19 9.65 -1.45 -2.63 114.38 127.15 2k54 h ARG 52 Ca 0.20 -0.13 -0.24 0.00 -1.10 0.00 0.00 59.98 58.71 2k54 h ARG 52 Cb 0.31 -0.19 -0.00 0.00 -1.39 0.00 0.00 29.97 28.70 2k54 h ARG 52 CO -0.00 0.77 -1.08 0.45 2.80 0.00 0.00 179.97 182.91 2k54 h HIS 53 N 1.02 0.44 -1.01 2.20 3.86 -1.06 -3.28 115.15 117.32 2k54 h HIS 53 Ca 0.25 -0.29 0.08 0.00 -1.16 0.00 0.00 60.37 59.26 2k54 h HIS 53 Cb 0.08 -0.03 -0.07 0.00 1.06 0.00 0.00 27.41 28.44 2k54 h HIS 53 CO 0.01 1.17 0.65 0.82 0.86 0.00 0.00 177.93 181.43 2k54 h ILE 54 N 0.11 1.04 -0.86 2.45 2.04 -0.64 0.31 117.51 121.96 2k54 h ILE 54 Ca -0.09 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.38 2k54 h ILE 54 Cb 1.77 -0.19 -0.04 0.00 -0.74 0.00 0.00 36.82 37.62 2k54 h ILE 54 CO 0.17 0.21 0.52 -0.33 0.00 0.00 0.00 178.15 178.72 2k54 h GLU 55 N 1.13 1.16 0.00 2.37 5.08 -1.57 -2.49 114.58 120.25 2k54 h GLU 55 Ca 0.45 -0.11 -0.14 0.00 -1.00 0.00 0.00 59.36 58.57 2k54 h GLU 55 Cb 0.27 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2k54 h GLU 55 CO -0.20 0.82 -0.64 -0.09 -1.00 0.00 0.00 179.01 177.89 2k54 h ARG 56 N 1.18 0.00 0.00 2.33 9.65 -1.27 -3.07 114.38 123.20 2k54 h ARG 56 Ca 0.31 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.19 2k54 h ARG 56 Cb -0.05 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.53 2k54 h ARG 56 CO -0.06 0.64 0.00 1.19 2.80 0.00 0.00 179.97 184.55 2k54 n PHE 57 N -3.67 0.00 0.05 2.20 3.01 -0.03 -2.37 117.46 116.65 2k54 n PHE 57 Ca -0.01 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.33 2k54 n PHE 57 Cb 0.66 -0.23 -0.02 0.00 -0.01 0.00 0.00 39.48 39.88 2k54 n PHE 57 CO 0.00 0.00 0.00 0.87 1.01 0.00 0.00 176.76 178.64 2k54 h LYS 58 N 0.00 0.48 -6.18 -1.08 1.79 -1.42 -3.45 116.57 106.70 2k54 h LYS 58 Ca 0.00 -0.44 -0.58 0.00 -2.18 0.00 0.00 60.65 57.46 2k54 h LYS 58 Cb 0.16 0.11 0.01 0.00 -1.58 0.00 0.00 32.23 30.92 2k54 h LYS 58 CO 0.00 1.08 1.32 0.39 -1.08 0.00 0.00 179.45 181.16 2k54 n GLU 59 N -3.82 2.31 0.22 3.15 4.71 -1.00 -4.89 120.64 121.33 2k54 n GLU 59 Ca -0.06 0.77 0.09 0.00 -0.01 0.00 0.00 57.16 57.96 2k54 n GLU 59 Cb 0.77 -3.00 0.48 0.00 -1.01 0.00 0.00 31.44 28.68 2k54 n GLU 59 CO 0.00 0.00 0.00 -1.00 0.09 0.00 0.00 177.13 176.22 2k54 h PRO 60 N 12.12 0.00 0.00 3.49 0.13 -1.90 -2.49 132.00 143.36 2k54 h PRO 60 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2k54 h PRO 60 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2k54 h PRO 60 CO 0.95 0.25 0.00 -0.25 -0.23 0.00 0.00 178.00 178.72 2k54 n ASP 61 N -3.53 0.00 -4.66 1.44 9.92 -1.26 -4.83 116.55 113.63 2k54 n ASP 61 Ca -0.01 0.17 -0.42 0.00 -0.53 0.00 0.00 54.79 54.00 2k54 n ASP 61 Cb 0.41 -0.39 -0.03 0.00 -0.64 0.00 0.00 41.12 40.47 2k54 n ASP 61 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 2k54 s LEU 62 N -2.78 4.36 -0.21 0.64 2.96 -0.94 -4.42 118.68 118.30 2k54 s LEU 62 Ca 0.21 2.40 -0.05 0.00 -0.22 0.00 0.00 54.13 56.48 2k54 s LEU 62 Cb 0.19 -3.54 0.11 0.00 0.50 0.00 0.00 46.19 43.46 2k54 s LEU 62 CO 0.49 -0.96 0.38 -0.47 -1.32 0.00 0.00 176.35 174.47 2k54 s TYR 63 N 4.02 -0.77 -0.52 5.38 5.04 -1.24 -4.95 117.35 124.31 2k54 s TYR 63 Ca 0.78 1.16 -0.17 0.00 -2.44 0.00 0.00 57.07 56.40 2k54 s TYR 63 Cb -0.37 0.14 0.09 0.00 0.35 0.00 0.00 41.96 42.17 2k54 s TYR 63 CO 0.34 -0.57 0.52 0.20 -1.34 0.00 0.00 175.55 174.70 2k54 s GLY 64 N 2.56 1.95 -0.41 8.97 0.00 -1.26 -1.14 107.32 118.00 2k54 s GLY 64 Ca 0.05 -2.17 -0.14 0.00 0.00 0.00 0.00 44.72 42.46 2k54 s GLY 64 CO -0.14 1.27 0.29 1.85 0.00 0.00 0.00 173.10 176.37 2k54 s GLU 65 N 2.01 2.94 0.34 2.90 2.12 -0.61 -4.46 118.70 123.94 2k54 s GLU 65 Ca 0.07 -1.05 -0.28 0.00 0.36 0.00 0.00 54.97 54.07 2k54 s GLU 65 Cb -0.25 -3.94 -0.10 0.00 0.26 0.00 0.00 34.13 30.10 2k54 s GLU 65 CO 0.07 -0.76 1.31 -1.17 -0.54 0.00 0.00 175.26 174.17 2k54 s LEU 66 N 1.65 4.40 -0.17 2.70 2.96 -1.26 -1.07 118.68 127.89 2k54 s LEU 66 Ca 0.04 2.69 -0.09 0.00 -0.22 0.00 0.00 54.13 56.55 2k54 s LEU 66 Cb -0.19 -3.68 -0.07 0.00 0.50 0.00 0.00 46.19 42.74 2k54 s LEU 66 CO 0.09 -0.58 -0.23 0.18 -1.32 0.00 0.00 176.35 174.49 2k54 n LEU 67 N 0.71 1.32 -3.69 -0.68 4.77 -0.64 -4.92 117.00 113.86 2k54 n LEU 67 Ca 0.00 0.23 -0.14 0.00 -0.03 0.00 0.00 56.01 56.07 2k54 n LEU 67 Cb 0.42 -0.54 -0.09 0.00 -2.33 0.00 0.00 43.42 40.88 2k54 n LEU 67 CO 0.59 0.29 0.21 -0.89 -1.33 0.00 0.00 177.39 176.25 2k54 s THR 68 N -2.36 0.00 -0.07 -5.08 2.01 -1.00 -5.08 115.64 104.07 2k54 s THR 68 Ca -0.25 -0.03 -0.01 0.00 0.31 0.00 0.00 61.69 61.72 2k54 s THR 68 Cb 0.09 -0.74 0.03 0.00 0.01 0.00 0.00 72.50 71.89 2k54 s THR 68 CO 0.31 -0.01 -0.01 0.00 -0.69 0.00 0.00 174.62 174.22 2k54 s ARG 69 N 0.11 0.67 -0.11 4.92 1.70 -1.26 -0.86 118.95 124.12 2k54 s ARG 69 Ca -0.01 0.06 -0.02 0.00 -0.47 0.00 0.00 55.73 55.28 2k54 s ARG 69 Cb -0.04 -0.96 -0.03 0.00 -0.57 0.00 0.00 34.95 33.35 2k54 s ARG 69 CO 0.01 -0.26 -0.02 0.14 -1.08 0.00 0.00 175.30 174.09 2k54 s VAL 70 N 1.76 4.11 -0.10 4.99 -7.23 -0.56 -4.96 120.40 118.41 2k54 s VAL 70 Ca 0.02 -0.31 0.04 0.00 -1.81 0.00 0.00 61.98 59.92 2k54 s VAL 70 Cb -0.13 -2.75 0.00 0.00 0.56 0.00 0.00 36.38 34.06 2k54 s VAL 70 CO -0.04 0.56 -0.23 -0.51 -0.31 0.00 0.00 175.10 174.56 2k54 s ILE 71 N -0.39 1.98 -0.32 -0.62 2.07 -1.26 -0.80 121.20 121.87 2k54 s ILE 71 Ca 0.07 -0.97 0.00 0.00 -1.41 0.00 0.00 60.65 58.34 2k54 s ILE 71 Cb -0.12 -1.72 0.10 0.00 0.13 0.00 0.00 42.46 40.85 2k54 s ILE 71 CO 0.02 0.54 0.10 0.54 -1.91 0.00 0.00 174.94 174.23 2k54 s VAL 72 N 0.38 1.13 0.00 4.00 0.11 -0.28 -5.02 120.40 120.72 2k54 s VAL 72 Ca -0.18 -1.62 0.00 0.00 -2.93 0.00 0.00 61.98 57.25 2k54 s VAL 72 Cb -0.18 -1.85 0.00 0.00 -1.53 0.00 0.00 36.38 32.83 2k54 s VAL 72 CO 0.08 -0.68 0.00 0.61 -3.33 0.00 0.00 175.10 171.78 2k54 n GLY 73 N 4.67 2.86 1.20 6.54 0.00 -1.26 -2.52 105.19 116.69 2k54 n GLY 73 Ca -0.00 -0.23 0.05 0.00 0.00 0.00 0.00 46.02 45.84 2k54 n GLY 73 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k54 n ASN 74 N 7.18 3.46 -4.11 1.61 6.94 -1.26 -4.86 115.26 124.22 2k54 n ASN 74 Ca 0.00 -2.43 -0.25 0.00 -0.02 0.00 0.00 54.58 51.88 2k54 n ASN 74 Cb 0.00 -0.54 -0.16 0.00 -2.36 0.00 0.00 39.78 36.72 2k54 n ASN 74 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2k54 s VAL 75 N -1.90 1.28 -0.02 3.53 1.01 -1.05 -1.07 120.40 122.19 2k54 s VAL 75 Ca 0.31 -0.64 0.06 0.00 0.00 0.00 0.00 61.98 61.71 2k54 s VAL 75 Cb 0.22 -1.10 -0.01 0.00 0.00 0.00 0.00 36.38 35.49 2k54 s VAL 75 CO 0.11 0.37 -0.19 -0.69 0.00 0.00 0.00 175.10 174.71 2k54 s VAL 76 N 0.04 1.50 -0.49 2.92 1.01 -0.80 -1.12 120.40 123.45 2k54 s VAL 76 Ca -0.03 -0.81 -0.16 0.00 0.00 0.00 0.00 61.98 60.98 2k54 s VAL 76 Cb -0.10 -1.25 0.08 0.00 0.00 0.00 0.00 36.38 35.11 2k54 s VAL 76 CO 0.02 0.42 0.46 -0.63 0.00 0.00 0.00 175.10 175.37 2k54 s ILE 77 N -0.41 5.15 -0.51 2.22 -1.09 0.02 -1.41 121.20 125.18 2k54 s ILE 77 Ca 0.07 -1.02 -0.19 0.00 -2.23 0.00 0.00 60.65 57.27 2k54 s ILE 77 Cb -0.08 -4.20 0.06 0.00 -1.58 0.00 0.00 42.46 36.67 2k54 s ILE 77 CO -0.01 -0.68 0.60 -1.81 -1.23 0.00 0.00 174.94 171.82 2k54 s ASP 78 N 2.79 6.21 -0.46 3.58 1.11 -0.28 -1.50 116.67 128.13 2k54 s ASP 78 Ca 0.06 -0.98 -0.15 0.00 0.18 0.00 0.00 52.55 51.65 2k54 s ASP 78 Cb -0.24 -2.28 0.07 0.00 1.07 0.00 0.00 42.92 41.53 2k54 s ASP 78 CO 0.07 -0.88 0.38 -2.28 1.18 0.00 0.00 175.17 173.64 2k54 s HIS 79 N 2.52 3.25 0.41 4.23 2.46 -0.04 -1.24 115.29 126.89 2k54 s HIS 79 Ca 0.14 -0.90 0.06 0.00 0.47 0.00 0.00 55.06 54.83 2k54 s HIS 79 Cb -0.20 -3.09 -0.07 0.00 -0.13 0.00 0.00 32.58 29.09 2k54 s HIS 79 CO 0.11 -0.77 0.02 -1.83 -2.47 0.00 0.00 174.74 169.80 2k54 s GLU 80 N 1.64 1.95 -0.31 2.88 4.04 -0.89 -1.63 118.70 126.39 2k54 s GLU 80 Ca 0.04 -2.12 0.02 0.00 0.04 0.00 0.00 54.97 52.95 2k54 s GLU 80 Cb -0.24 -1.50 0.07 0.00 0.02 0.00 0.00 34.13 32.48 2k54 s GLU 80 CO 0.07 -0.11 -0.01 0.99 -1.84 0.00 0.00 175.26 174.36 2k54 s THR 81 N -2.82 2.50 -0.15 1.83 2.01 -0.24 -0.94 115.64 117.84 2k54 s THR 81 Ca 0.31 -1.82 -0.27 0.00 0.31 0.00 0.00 61.69 60.23 2k54 s THR 81 Cb 0.09 -2.59 -0.01 0.00 0.01 0.00 0.00 72.50 69.99 2k54 s THR 81 CO 0.16 -0.27 0.91 0.68 -0.69 0.00 0.00 174.62 175.41 2k54 s VAL 82 N 1.08 4.83 -0.25 3.82 -7.23 -0.63 -1.58 120.40 120.45 2k54 s VAL 82 Ca -0.01 1.81 -0.26 0.00 -1.81 0.00 0.00 61.98 61.71 2k54 s VAL 82 Cb -0.20 -4.21 0.00 0.00 0.56 0.00 0.00 36.38 32.53 2k54 s VAL 82 CO -0.05 0.01 0.91 -0.89 -0.31 0.00 0.00 175.10 174.77 2k54 s THR 83 N 2.15 4.75 0.00 5.32 2.01 -0.29 -1.54 115.64 128.04 2k54 s THR 83 Ca 0.42 1.70 0.00 0.00 0.31 0.00 0.00 61.69 64.12 2k54 s THR 83 Cb -0.17 -4.21 0.00 0.00 0.01 0.00 0.00 72.50 68.13 2k54 s THR 83 CO 0.14 -0.16 0.00 0.54 -0.69 0.00 0.00 174.62 174.45 2k54 n ARG 84 N 6.20 3.78 -3.63 4.92 1.74 -0.80 -3.70 116.66 125.17 2k54 n ARG 84 Ca 0.08 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.91 2k54 n ARG 84 Cb 0.47 0.00 -0.17 0.00 -1.02 0.00 0.00 32.46 31.74 2k54 n ARG 84 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2k54 s ASN 85 N 0.74 2.21 0.12 0.55 3.84 -1.25 -4.14 114.94 117.00 2k54 s ASN 85 Ca 0.00 -0.52 0.06 0.00 0.21 0.00 0.00 52.86 52.60 2k54 s ASN 85 Cb 0.00 -0.25 -0.04 0.00 -0.55 0.00 0.00 41.25 40.41 2k54 s ASN 85 CO 0.00 -0.33 0.00 -0.36 -2.79 0.00 0.00 177.10 173.62 2k54 s PHE 86 N 2.12 2.95 0.54 0.43 0.08 -1.18 -4.94 117.98 117.99 2k54 s PHE 86 Ca 0.02 -0.06 0.20 0.00 0.12 0.00 0.00 56.93 57.21 2k54 s PHE 86 Cb -0.15 -1.49 1.41 0.00 -0.57 0.00 0.00 43.02 42.22 2k54 s PHE 86 CO -0.08 0.49 2.16 -1.00 -0.10 0.00 0.00 175.22 176.68 2k54 h PRO 87 N 3.19 0.00 -0.10 0.24 0.13 -2.01 -2.78 132.00 130.67 2k54 h PRO 87 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2k54 h PRO 87 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2k54 h PRO 87 CO 0.59 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.51 2k54 n GLU 88 N -4.35 1.61 0.00 0.86 0.00 -1.26 -5.02 120.64 112.48 2k54 n GLU 88 Ca -0.02 -0.91 0.00 0.00 0.00 0.00 0.00 57.16 56.23 2k54 n GLU 88 Cb 0.14 -1.42 0.00 0.00 0.00 0.00 0.00 31.44 30.17 2k54 n GLU 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2k54 n GLY 89 N 1.11 0.13 0.00 -1.84 0.00 -1.05 -4.86 105.19 98.68 2k54 n GLY 89 Ca 0.17 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 45.08 2k54 n GLY 89 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k54 n LYS 90 N 0.00 0.00 0.00 1.61 3.00 -1.26 -3.10 118.16 118.41 2k54 n LYS 90 Ca 0.00 0.81 0.00 0.00 -0.00 0.00 0.00 58.31 59.12 2k54 n LYS 90 Cb 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 35.03 33.74 2k54 n LYS 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2k54 n GLY 91 N -0.99 1.65 3.71 3.14 0.00 -1.25 -3.35 105.19 108.10 2k54 n GLY 91 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 2k54 n GLY 91 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k54 s GLU 92 N -0.47 4.30 0.03 1.61 -1.05 -1.07 -1.90 118.70 120.16 2k54 s GLU 92 Ca 0.00 0.36 0.08 0.00 -0.15 0.00 0.00 54.97 55.26 2k54 s GLU 92 Cb 0.00 -3.45 -0.02 0.00 -0.44 0.00 0.00 34.13 30.21 2k54 s GLU 92 CO 0.00 0.14 -0.23 0.14 0.95 0.00 0.00 175.26 176.26 2k54 s VAL 93 N 0.72 1.81 -0.19 1.83 -7.23 -0.59 -2.74 120.40 114.01 2k54 s VAL 93 Ca 0.23 -1.21 -0.24 0.00 -1.81 0.00 0.00 61.98 58.96 2k54 s VAL 93 Cb -0.15 -1.56 -0.02 0.00 0.56 0.00 0.00 36.38 35.22 2k54 s VAL 93 CO 0.09 0.30 0.77 1.51 -0.31 0.00 0.00 175.10 177.46 2k54 s ASP 94 N -1.08 6.85 -0.01 4.85 -4.77 -1.25 -1.60 116.67 119.66 2k54 s ASP 94 Ca 0.09 1.05 0.04 0.00 -3.30 0.00 0.00 52.55 50.43 2k54 s ASP 94 Cb -0.09 -2.42 -0.03 0.00 -1.09 0.00 0.00 42.92 39.29 2k54 s ASP 94 CO 0.01 -0.38 -0.13 -0.69 0.70 0.00 0.00 175.17 174.68 2k54 s VAL 95 N 2.20 3.17 -0.54 2.11 1.01 -0.11 -0.25 120.40 127.98 2k54 s VAL 95 Ca 0.35 -0.84 -0.10 0.00 0.00 0.00 0.00 61.98 61.39 2k54 s VAL 95 Cb -0.16 -2.30 0.14 0.00 0.00 0.00 0.00 36.38 34.05 2k54 s VAL 95 CO 0.11 0.48 0.42 0.00 0.00 0.00 0.00 175.10 176.11 2k54 s ALA 96 N -0.85 3.52 -0.46 5.51 0.00 -0.11 -2.08 121.76 127.28 2k54 s ALA 96 Ca 0.14 -2.72 -0.20 0.00 0.00 0.00 0.00 51.96 49.18 2k54 s ALA 96 Cb -0.11 -2.93 0.04 0.00 0.00 0.00 0.00 23.12 20.12 2k54 s ALA 96 CO 0.03 -1.99 0.60 0.00 0.00 0.00 0.00 175.76 174.41 2k54 s ILE 98 N 2.65 5.20 -0.13 0.00 -1.16 0.04 -1.12 121.20 126.67 2k54 s ILE 98 Ca 0.18 0.02 -0.04 0.00 -0.51 0.00 0.00 60.65 60.31 2k54 s ILE 98 Cb -0.16 -3.78 -0.03 0.00 0.61 0.00 0.00 42.46 39.09 2k54 s ILE 98 CO 0.15 -0.05 -0.01 -0.31 -2.81 0.00 0.00 174.94 171.92 2k54 s TYR 99 N 1.95 3.11 -0.34 3.50 2.02 -0.50 -1.42 117.35 125.67 2k54 s TYR 99 Ca 0.11 -0.04 -0.11 0.00 -0.37 0.00 0.00 57.07 56.65 2k54 s TYR 99 Cb -0.17 -1.91 0.00 0.00 -0.40 0.00 0.00 41.96 39.49 2k54 s TYR 99 CO 0.11 0.19 0.20 -2.00 -1.57 0.00 0.00 175.55 172.48 2k54 s GLU 100 N -0.13 3.17 -0.16 -0.62 2.12 -0.03 -1.91 118.70 121.14 2k54 s GLU 100 Ca 0.04 -0.85 -0.08 0.00 0.36 0.00 0.00 54.97 54.44 2k54 s GLU 100 Cb -0.13 -3.69 -0.04 0.00 0.26 0.00 0.00 34.13 30.53 2k54 s GLU 100 CO 0.02 -0.54 0.14 0.08 -0.54 0.00 0.00 175.26 174.42 2k54 s VAL 101 N 1.62 5.46 -0.10 3.70 1.01 -0.23 -1.28 120.40 130.58 2k54 s VAL 101 Ca 0.04 0.20 -0.01 0.00 0.00 0.00 0.00 61.98 62.21 2k54 s VAL 101 Cb -0.18 -3.43 0.03 0.00 0.00 0.00 0.00 36.38 32.80 2k54 s VAL 101 CO 0.07 0.54 -0.02 -0.70 0.00 0.00 0.00 175.10 174.99 2k54 s GLU 102 N -0.38 0.94 -1.68 2.72 2.56 0.29 -4.79 118.70 118.36 2k54 s GLU 102 Ca 0.12 -0.07 -0.00 0.00 0.00 0.00 0.00 54.97 55.02 2k54 s GLU 102 Cb -0.12 -1.28 0.00 0.00 2.00 0.00 0.00 34.13 34.73 2k54 s GLU 102 CO 0.01 -0.32 0.06 0.09 -0.56 0.00 0.00 175.26 174.54 2k54 n ASN 103 N 5.06 -5.71 0.00 -1.70 3.02 -1.26 -2.15 115.26 112.53 2k54 n ASN 103 Ca -0.09 -0.05 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 2k54 n ASN 103 Cb 0.50 -4.71 0.00 0.00 -0.61 0.00 0.00 39.78 34.95 2k54 n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k54 n GLY 104 N -1.07 1.50 3.41 7.41 0.00 -1.26 -5.03 105.19 110.15 2k54 n GLY 104 Ca -0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.47 2k54 n GLY 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k54 s ARG 105 N -0.38 3.09 -0.38 1.61 1.81 -0.91 -4.61 118.95 119.17 2k54 s ARG 105 Ca 0.00 -0.68 -0.28 0.00 -1.72 0.00 0.00 55.73 53.05 2k54 s ARG 105 Cb 0.00 -2.56 -0.02 0.00 -0.45 0.00 0.00 34.95 31.92 2k54 s ARG 105 CO 0.00 0.36 1.85 0.42 -0.68 0.00 0.00 175.30 177.25 2k54 s ILE 106 N -0.03 3.42 0.13 1.52 1.01 -0.74 -0.55 121.20 125.95 2k54 s ILE 106 Ca -0.03 0.39 0.03 0.00 0.00 0.00 0.00 60.65 61.04 2k54 s ILE 106 Cb -0.14 -3.65 -0.20 0.00 0.01 0.00 0.00 42.46 38.48 2k54 s ILE 106 CO 0.04 -0.47 1.29 0.00 0.00 0.00 0.00 174.94 175.80 2k54 h ALA 107 N 13.64 0.36 -2.52 9.38 0.00 -1.47 -1.30 119.26 137.35 2k54 h ALA 107 Ca -0.32 -0.83 -0.10 0.00 0.00 0.00 0.00 54.91 53.65 2k54 h ALA 107 Cb 1.17 -0.09 -0.18 0.00 0.00 0.00 0.00 17.79 18.69 2k54 h ALA 107 CO 1.07 1.06 -0.25 0.15 0.00 0.00 0.00 179.25 181.28 2k54 s LYS 108 N -2.88 0.75 -0.22 0.00 1.02 -1.00 -2.42 119.74 115.00 2k54 s LYS 108 Ca -0.02 -0.33 -0.16 0.00 0.02 0.00 0.00 55.97 55.48 2k54 s LYS 108 Cb 0.09 0.33 0.06 0.00 -0.52 0.00 0.00 37.83 37.79 2k54 s LYS 108 CO 0.84 -0.22 0.56 0.00 -0.92 0.00 0.00 175.35 175.60 2k54 s ALA 109 N -1.91 -1.42 0.05 5.17 0.00 0.52 -0.85 121.76 123.32 2k54 s ALA 109 Ca -0.09 1.76 0.02 0.00 0.00 0.00 0.00 51.96 53.64 2k54 s ALA 109 Cb -0.03 -1.04 -0.03 0.00 0.00 0.00 0.00 23.12 22.03 2k54 s ALA 109 CO 0.01 -0.29 -0.07 -1.58 0.00 0.00 0.00 175.76 173.83 2k54 s TRP 110 N 0.85 0.63 0.01 0.00 0.51 -0.51 -1.34 118.94 119.10 2k54 s TRP 110 Ca -0.04 -0.59 0.00 0.00 -2.12 0.00 0.00 56.10 53.35 2k54 s TRP 110 Cb -0.05 -0.38 -0.01 0.00 -0.81 0.00 0.00 33.47 32.21 2k54 s TRP 110 CO -0.07 -0.12 -0.02 -0.59 -0.51 0.00 0.00 176.95 175.64 2k54 s PHE 111 N -1.81 0.17 -0.15 -1.98 -0.71 -1.07 -0.78 117.98 111.66 2k54 s PHE 111 Ca -0.07 -0.26 0.01 0.00 -1.04 0.00 0.00 56.93 55.57 2k54 s PHE 111 Cb -0.07 -0.12 0.00 0.00 -1.21 0.00 0.00 43.02 41.62 2k54 s PHE 111 CO -0.01 -0.09 -0.17 0.21 -1.34 0.00 0.00 175.22 173.83 2k54 s LYS 112 N -0.71 3.18 -0.15 1.99 2.20 -0.74 -1.70 119.74 123.82 2k54 s LYS 112 Ca -0.07 -0.77 -0.23 0.00 -0.36 0.00 0.00 55.97 54.53 2k54 s LYS 112 Cb -0.05 -2.58 -0.02 0.00 -1.51 0.00 0.00 37.83 33.66 2k54 s LYS 112 CO -0.00 0.02 0.73 0.42 -0.36 0.00 0.00 175.35 176.16 2k54 s ILE 113 N 0.79 4.97 0.00 5.43 1.01 -1.26 -0.94 121.20 131.20 2k54 s ILE 113 Ca -0.06 1.45 0.00 0.00 0.00 0.00 0.00 60.65 62.04 2k54 s ILE 113 Cb -0.15 -4.05 0.00 0.00 0.01 0.00 0.00 42.46 38.26 2k54 s ILE 113 CO -0.00 0.12 0.00 0.61 0.00 0.00 0.00 174.94 175.67 2k54 n GLY 114 N 3.45 0.88 3.74 6.18 0.00 0.65 -4.97 105.19 115.11 2k54 n GLY 114 Ca 0.01 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 2k54 n GLY 114 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2k54 s GLU 115 N 0.39 4.54 -0.86 1.61 2.12 -1.26 -4.88 118.70 120.37 2k54 s GLU 115 Ca 0.00 1.16 -0.25 0.00 0.36 0.00 0.00 54.97 56.25 2k54 s GLU 115 Cb 0.00 -3.37 -0.00 0.00 0.26 0.00 0.00 34.13 31.01 2k54 s GLU 115 CO 0.00 0.25 1.70 -1.25 -0.54 0.00 0.00 175.26 175.41 2k54 s PRO 116 N 0.02 2.95 -0.09 4.30 0.04 -1.26 -3.85 135.00 137.11 2k54 s PRO 116 Ca 0.41 -0.34 -0.06 0.00 0.04 0.00 0.00 61.00 61.05 2k54 s PRO 116 Cb -0.21 -4.89 -0.04 0.00 0.04 0.00 0.00 34.50 29.40 2k54 s PRO 116 CO 0.25 -2.75 0.14 1.03 0.04 0.00 0.00 177.00 175.70 2k54 s ARG 117 N 6.27 3.41 -0.10 4.56 0.52 -1.11 -5.04 118.95 127.46 2k54 s ARG 117 Ca 0.58 -0.19 0.01 0.00 -0.52 0.00 0.00 55.73 55.60 2k54 s ARG 117 Cb -0.06 -3.14 0.02 0.00 0.52 0.00 0.00 34.95 32.28 2k54 s ARG 117 CO 0.03 0.75 -0.12 0.42 0.02 0.00 0.00 175.30 176.41 2k54 s ILE 118 N -1.09 1.22 -0.21 1.52 -1.09 -1.26 -2.60 121.20 117.69 2k54 s ILE 118 Ca 0.18 -0.47 0.19 0.00 -2.23 0.00 0.00 60.65 58.32 2k54 s ILE 118 Cb -0.12 -1.16 0.19 0.00 -1.58 0.00 0.00 42.46 39.79 2k54 s ILE 118 CO 0.07 0.39 1.56 0.58 -1.23 0.00 0.00 174.94 176.32 2k54 h VAL 119 N 6.04 0.51 0.00 2.92 2.07 -1.95 -3.34 116.25 122.51 2k54 h VAL 119 Ca -0.31 -1.62 0.00 0.00 0.82 0.00 0.00 66.70 65.59 2k54 h VAL 119 Cb 1.16 2.17 0.00 0.00 -1.52 0.00 0.00 31.29 33.10 2k54 h VAL 119 CO 0.46 0.28 0.00 -1.20 0.02 0.00 0.00 177.57 177.13 2k54 n SER 120 N -3.20 0.80 -4.94 0.57 7.64 -1.26 -4.84 113.62 108.38 2k54 n SER 120 Ca 0.02 -1.84 -0.25 0.00 1.01 0.00 0.00 58.87 57.81 2k54 n SER 120 Cb 0.62 -0.40 -0.03 0.00 -1.01 0.00 0.00 64.21 63.39 2k54 n SER 120 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k54 s GLN 121 N -1.14 3.48 0.04 1.43 -2.07 -1.25 -5.00 119.66 115.15 2k54 s GLN 121 Ca 0.00 -0.48 0.01 0.00 -1.82 0.00 0.00 55.36 53.06 2k54 s GLN 121 Cb 0.00 -2.85 -0.03 0.00 -1.09 0.00 0.00 33.01 29.05 2k54 s GLN 121 CO 0.00 0.39 -0.05 -1.59 -1.32 0.00 0.00 175.29 172.72 2k54 s LYS 122 N -3.61 0.46 0.00 9.60 -2.85 -1.26 -5.17 119.74 116.91 2k54 s LYS 122 Ca 0.37 -0.79 0.00 0.00 -1.00 0.00 0.00 55.97 54.54 2k54 s LYS 122 Cb -0.10 -0.02 0.00 0.00 -2.06 0.00 0.00 37.83 35.64 2k54 s LYS 122 CO 0.30 -0.03 0.00 0.45 0.10 0.00 0.00 175.35 176.17