#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 4.26 -0.22 3.17 3.02 -1.26 -4.82 115.26 119.41 2k54 n ASN 2 Ca 0.00 -3.79 -0.07 0.00 -0.03 0.00 0.00 54.58 50.68 2k54 n ASN 2 Cb 0.00 -0.48 0.03 0.00 -0.61 0.00 0.00 39.78 38.72 2k54 n ASN 2 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2k54 h SER 3 N 1.78 0.85 0.65 6.41 0.02 -2.00 -2.70 113.55 118.54 2k54 h SER 3 Ca 0.30 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 2k54 h SER 3 Cb 1.38 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 63.70 2k54 h SER 3 CO 0.65 0.79 0.00 -1.84 -1.14 0.00 0.00 176.83 175.29 2k54 n GLU 4 N -4.45 0.15 0.03 3.45 0.00 -1.26 -2.26 120.64 116.31 2k54 n GLU 4 Ca 0.04 0.40 -0.11 0.00 0.00 0.00 0.00 57.16 57.49 2k54 n GLU 4 Cb 0.17 -1.80 -0.13 0.00 0.00 0.00 0.00 31.44 29.68 2k54 n GLU 4 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 2k54 h ILE 5 N 0.00 1.22 0.00 3.84 1.08 -1.82 -3.32 117.51 118.51 2k54 h ILE 5 Ca 0.00 -2.95 0.00 0.00 -0.39 0.00 0.00 64.86 61.52 2k54 h ILE 5 Cb 0.32 2.66 0.00 0.00 -3.07 0.00 0.00 36.82 36.74 2k54 h ILE 5 CO 0.00 0.76 -0.39 -0.62 -0.69 0.00 0.00 178.15 177.21 2k54 n GLU 6 N -3.28 0.00 0.04 2.37 1.02 -0.96 -4.04 120.64 115.80 2k54 n GLU 6 Ca -0.12 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.90 2k54 n GLU 6 Cb 1.01 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.86 2k54 n GLU 6 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 2k54 h LEU 7 N 0.00 -0.03 0.05 -4.62 3.38 -1.55 -1.42 115.31 111.13 2k54 h LEU 7 Ca 0.00 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2k54 h LEU 7 Cb 0.50 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2k54 h LEU 7 CO 0.00 0.05 -0.06 1.55 0.09 0.00 0.00 178.44 180.07 2k54 h PRO 8 N -0.10 -0.12 -0.30 1.13 0.13 -1.75 -3.15 132.00 127.84 2k54 h PRO 8 Ca -0.00 0.01 0.07 0.00 -0.87 0.00 0.00 66.00 65.20 2k54 h PRO 8 Cb 0.09 0.03 -0.08 0.00 0.13 0.00 0.00 31.00 31.17 2k54 h PRO 8 CO 0.01 -0.08 -0.25 0.28 -0.23 0.00 0.00 178.00 177.72 2k54 h VAL 9 N -0.12 0.36 -0.25 1.56 2.07 -1.68 0.53 116.25 118.72 2k54 h VAL 9 Ca 0.01 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 2k54 h VAL 9 Cb 0.12 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 2k54 h VAL 9 CO -0.02 0.00 0.13 -0.61 0.02 0.00 0.00 177.57 177.09 2k54 h GLN 10 N -0.23 0.34 0.00 1.57 5.75 -1.36 -2.66 115.11 118.53 2k54 h GLN 10 Ca 0.15 -0.04 -0.11 0.00 -0.15 0.00 0.00 58.65 58.50 2k54 h GLN 10 Cb 0.47 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 28.94 2k54 h GLN 10 CO -0.43 0.32 -0.54 0.87 -2.65 0.00 0.00 178.83 176.40 2k54 h LYS 11 N 0.28 0.00 -0.04 1.69 1.79 -1.38 -2.76 116.57 116.15 2k54 h LYS 11 Ca 0.09 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.55 2k54 h LYS 11 Cb 0.08 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.72 2k54 h LYS 11 CO -0.01 0.54 0.02 1.96 -1.08 0.00 0.00 179.45 180.88 2k54 h GLN 12 N 0.00 0.06 0.07 3.15 4.20 -0.77 -2.22 115.11 119.60 2k54 h GLN 12 Ca -0.01 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.71 2k54 h GLN 12 Cb 0.97 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.72 2k54 h GLN 12 CO 0.07 0.16 -0.13 1.25 -0.67 0.00 0.00 178.83 179.51 2k54 h LEU 13 N -0.05 -0.35 -0.84 1.46 5.85 -1.31 0.18 115.31 120.26 2k54 h LEU 13 Ca 0.01 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.82 2k54 h LEU 13 Cb 0.12 0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 2k54 h LEU 13 CO -0.00 -0.19 0.53 -0.33 -0.34 0.00 0.00 178.44 178.11 2k54 h GLU 14 N -0.25 0.99 0.00 1.25 4.39 -1.53 -2.04 114.58 117.40 2k54 h GLU 14 Ca 0.02 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.57 2k54 h GLU 14 Cb 0.27 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 2k54 h GLU 14 CO -0.08 0.66 -0.46 0.00 -1.16 0.00 0.00 179.01 177.96 2k54 h ALA 15 N 1.36 1.06 -0.41 3.43 0.00 -1.07 -2.32 119.26 121.31 2k54 h ALA 15 Ca 0.34 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 2k54 h ALA 15 Cb 0.04 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2k54 h ALA 15 CO -0.13 0.58 -0.21 -0.92 0.00 0.00 0.00 179.25 178.58 2k54 h TYR 16 N 0.00 0.99 0.00 0.00 3.20 0.11 0.13 116.97 121.39 2k54 h TYR 16 Ca -0.00 -0.25 -0.23 0.00 3.14 0.00 0.00 58.73 61.39 2k54 h TYR 16 Cb 0.92 -0.23 -0.04 0.00 1.54 0.00 0.00 36.73 38.93 2k54 h TYR 16 CO 0.00 1.02 -1.21 -0.91 -1.64 0.00 0.00 178.16 175.42 2k54 h ASN 17 N 0.67 0.00 -0.10 -2.11 2.35 -1.56 -3.33 115.58 111.50 2k54 h ASN 17 Ca 0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.84 2k54 h ASN 17 Cb 0.77 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.14 2k54 h ASN 17 CO 0.06 0.96 0.00 0.00 -1.65 0.00 0.00 177.43 176.80 2k54 n ALA 18 N -2.41 2.55 -0.95 -0.83 0.00 -0.88 -4.92 120.51 113.07 2k54 n ALA 18 Ca -0.06 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2k54 n ALA 18 Cb 0.96 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 19.27 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 0.17 -0.83 -2.42 0.00 5.12 -0.39 -4.95 116.66 113.36 2k54 n ARG 19 Ca 0.17 0.21 -0.39 0.00 -1.93 0.00 0.00 57.85 55.92 2k54 n ARG 19 Cb 0.32 -3.93 -0.03 0.00 -1.16 0.00 0.00 32.46 27.66 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 -2.09 6.04 0.50 0.55 1.01 -0.10 -4.78 116.67 117.80 2k54 s ASP 20 Ca 0.00 -0.78 0.28 0.00 0.71 0.00 0.00 52.55 52.75 2k54 s ASP 20 Cb 0.00 -2.56 1.28 0.00 1.01 0.00 0.00 42.92 42.65 2k54 s ASP 20 CO 0.00 -1.91 1.98 0.40 0.21 0.00 0.00 175.17 175.85 2k54 h ILE 21 N 6.62 0.48 -0.23 0.77 1.08 -1.93 -2.43 117.51 121.87 2k54 h ILE 21 Ca -0.03 -0.74 0.05 0.00 -0.39 0.00 0.00 64.86 63.75 2k54 h ILE 21 Cb 1.04 1.51 -0.05 0.00 -3.07 0.00 0.00 36.82 36.26 2k54 h ILE 21 CO 1.32 0.14 -0.10 -0.78 -0.69 0.00 0.00 178.15 178.05 2k54 h ASP 22 N 0.00 -0.32 0.42 1.72 3.58 -1.96 0.37 116.42 120.23 2k54 h ASP 22 Ca -0.00 0.08 -0.31 0.00 0.42 0.00 0.00 57.03 57.22 2k54 h ASP 22 Cb 0.50 0.19 0.01 0.00 1.72 0.00 0.00 39.33 41.75 2k54 h ASP 22 CO 0.02 -0.12 -1.48 0.00 -2.88 0.00 0.00 179.24 174.77 2k54 h ALA 23 N 1.14 0.12 0.00 -0.78 0.00 -1.92 -1.83 119.26 116.00 2k54 h ALA 23 Ca 0.12 -1.01 0.00 0.00 0.00 0.00 0.00 54.91 54.02 2k54 h ALA 23 Cb 0.24 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2k54 h ALA 23 CO -0.27 0.99 0.00 0.34 0.00 0.00 0.00 179.25 180.31 2k54 n PHE 24 N -3.55 0.00 -0.01 0.00 7.35 -0.92 -2.40 117.46 117.94 2k54 n PHE 24 Ca -0.16 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.52 2k54 n PHE 24 Cb 1.06 -0.38 -0.02 0.00 0.35 0.00 0.00 39.48 40.49 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 -1.38 3.35 0.20 -4.13 1.56 0.11 -4.80 117.12 112.03 2k54 n MET 25 Ca 0.03 0.00 0.07 0.00 -0.27 0.00 0.00 57.70 57.53 2k54 n MET 25 Cb 0.08 -1.05 0.59 0.00 2.15 0.00 0.00 33.22 34.99 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 0.09 1.93 -0.46 -5.12 0.00 -0.96 -1.74 119.26 113.01 2k54 h ALA 26 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2k54 h ALA 26 Cb 1.12 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2k54 h ALA 26 CO 0.00 0.06 0.00 0.91 0.00 0.00 0.00 179.25 180.23 2k54 n TRP 27 N -4.52 0.61 -4.06 0.00 7.02 -1.17 -4.89 117.44 110.42 2k54 n TRP 27 Ca -0.02 -0.30 -0.23 0.00 -1.02 0.00 0.00 57.50 55.93 2k54 n TRP 27 Cb 0.08 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 28.91 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 -1.39 2.76 0.45 -5.99 0.52 -0.65 -3.08 118.94 111.55 2k54 s TRP 28 Ca 0.32 -0.35 -0.15 0.00 0.02 0.00 0.00 56.10 55.95 2k54 s TRP 28 Cb 0.17 -1.63 -0.08 0.00 -1.15 0.00 0.00 33.47 30.78 2k54 s TRP 28 CO 0.22 0.33 0.88 0.00 0.02 0.00 0.00 176.95 178.41 2k54 s ALA 29 N -2.39 3.19 0.41 0.98 0.00 -0.42 -4.61 121.76 118.92 2k54 s ALA 29 Ca 0.38 0.05 0.20 0.00 0.00 0.00 0.00 51.96 52.58 2k54 s ALA 29 Cb -0.03 -2.94 1.14 0.00 0.00 0.00 0.00 23.12 21.29 2k54 s ALA 29 CO 0.23 -0.07 1.99 0.22 0.00 0.00 0.00 175.76 178.13 2k54 h ASP 30 N 1.25 0.00 -0.43 0.00 3.58 -1.94 -2.21 116.42 116.67 2k54 h ASP 30 Ca -0.47 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 56.96 2k54 h ASP 30 Cb 1.18 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.22 2k54 h ASP 30 CO 0.63 0.19 0.02 -0.67 -2.88 0.00 0.00 179.24 176.52 2k54 n ASP 31 N -3.97 4.72 -4.59 2.28 2.03 -1.26 -1.59 116.55 114.16 2k54 n ASP 31 Ca -0.02 -3.02 -0.45 0.00 0.52 0.00 0.00 54.79 51.82 2k54 n ASP 31 Cb 0.27 -0.62 -0.04 0.00 -0.72 0.00 0.00 41.12 40.01 2k54 n ASP 31 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k54 s GLN 33 N 5.72 3.61 -0.15 0.00 -1.52 -0.87 -1.36 119.66 125.09 2k54 s GLN 33 Ca 0.99 1.34 -0.04 0.00 -1.95 0.00 0.00 55.36 55.71 2k54 s GLN 33 Cb -0.49 -2.07 0.07 0.00 -0.22 0.00 0.00 33.01 30.30 2k54 s GLN 33 CO 0.41 -0.58 0.22 -0.47 -0.25 0.00 0.00 175.29 174.62 2k54 s TYR 34 N -2.09 -0.31 0.21 0.91 5.04 0.63 -0.39 117.35 121.34 2k54 s TYR 34 Ca 0.67 0.58 0.10 0.00 -2.44 0.00 0.00 57.07 55.97 2k54 s TYR 34 Cb -0.17 -0.22 -0.04 0.00 0.35 0.00 0.00 41.96 41.88 2k54 s TYR 34 CO 0.25 -0.44 -0.09 0.71 -1.34 0.00 0.00 175.55 174.64 2k54 s TYR 35 N 2.36 2.59 0.21 4.97 1.51 -0.13 -0.39 117.35 128.46 2k54 s TYR 35 Ca 0.04 -0.24 0.11 0.00 -1.01 0.00 0.00 57.07 55.97 2k54 s TYR 35 Cb -0.14 -1.22 -0.05 0.00 -0.11 0.00 0.00 41.96 40.45 2k54 s TYR 35 CO -0.09 0.56 -0.23 0.00 -1.11 0.00 0.00 175.55 174.68 2k54 s ALA 36 N -1.94 2.58 0.20 3.71 0.00 -0.41 -2.96 121.76 122.94 2k54 s ALA 36 Ca 0.27 -1.67 -0.31 0.00 0.00 0.00 0.00 51.96 50.24 2k54 s ALA 36 Cb -0.08 -0.33 -0.10 0.00 0.00 0.00 0.00 23.12 22.61 2k54 s ALA 36 CO 0.16 0.41 1.53 0.12 0.00 0.00 0.00 175.76 177.98 2k54 s PHE 37 N -1.80 3.02 -0.04 0.00 5.36 -0.72 -1.77 117.98 122.02 2k54 s PHE 37 Ca 0.22 0.77 -0.19 0.00 -0.96 0.00 0.00 56.93 56.77 2k54 s PHE 37 Cb -0.07 -3.91 -0.13 0.00 -0.34 0.00 0.00 43.02 38.57 2k54 s PHE 37 CO 0.11 -3.20 0.82 -1.00 -1.46 0.00 0.00 175.22 170.49 2k54 h PRO 38 N 6.04 -0.36 -1.46 10.12 0.13 -2.00 -3.46 132.00 141.00 2k54 h PRO 38 Ca -0.44 0.02 -0.18 0.00 -0.87 0.00 0.00 66.00 64.53 2k54 h PRO 38 Cb 1.21 0.08 -0.25 0.00 0.13 0.00 0.00 31.00 32.17 2k54 h PRO 38 CO 0.86 -0.04 -0.54 0.00 -0.23 0.00 0.00 178.00 178.04 2k54 s ALA 39 N -3.92 -1.48 -0.20 -0.56 0.00 -0.86 -5.02 121.76 109.73 2k54 s ALA 39 Ca -0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 51.96 51.69 2k54 s ALA 39 Cb 0.01 -2.36 0.06 0.00 0.00 0.00 0.00 23.12 20.83 2k54 s ALA 39 CO 0.39 -2.07 0.05 0.99 0.00 0.00 0.00 175.76 175.12 2k54 s THR 40 N 1.91 0.40 -0.52 0.00 2.01 -0.73 -4.93 115.64 113.78 2k54 s THR 40 Ca 0.15 -0.53 -0.27 0.00 0.31 0.00 0.00 61.69 61.35 2k54 s THR 40 Cb -0.10 -0.97 -0.02 0.00 0.01 0.00 0.00 72.50 71.42 2k54 s THR 40 CO -0.12 -0.27 1.85 -0.22 -0.69 0.00 0.00 174.62 175.18 2k54 s LEU 41 N 1.91 3.37 -0.05 4.42 0.20 -1.26 -1.29 118.68 125.97 2k54 s LEU 41 Ca 0.00 0.65 -0.23 0.00 0.69 0.00 0.00 54.13 55.25 2k54 s LEU 41 Cb -0.17 -2.84 -0.28 0.00 -0.43 0.00 0.00 46.19 42.47 2k54 s LEU 41 CO -0.10 -2.18 0.93 -0.07 -0.29 0.00 0.00 176.35 174.64 2k54 h LEU 42 N 15.65 0.37 -7.61 -0.68 3.38 -1.07 -3.47 115.31 121.88 2k54 h LEU 42 Ca -0.28 -0.90 -0.42 0.00 0.09 0.00 0.00 57.88 56.37 2k54 h LEU 42 Cb 1.17 -0.12 -0.36 0.00 0.09 0.00 0.00 40.66 41.44 2k54 h LEU 42 CO 1.16 1.23 -0.77 0.00 0.09 0.00 0.00 178.44 180.15 2k54 s ALA 43 N -2.65 0.67 -0.50 1.53 0.00 -1.11 -5.00 121.76 114.70 2k54 s ALA 43 Ca -0.15 -0.08 0.03 0.00 0.00 0.00 0.00 51.96 51.76 2k54 s ALA 43 Cb 0.01 -0.57 0.51 0.00 0.00 0.00 0.00 23.12 23.06 2k54 s ALA 43 CO 0.79 -0.24 1.78 0.41 0.00 0.00 0.00 175.76 178.51 2k54 n GLY 44 N 4.58 5.50 0.00 0.00 0.00 -1.26 -0.27 105.19 113.74 2k54 n GLY 44 Ca -0.17 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.97 0.00 -0.24 1.61 0.23 -0.46 -4.71 115.26 110.72 2k54 n ASN 45 Ca 0.54 0.00 -0.03 0.00 -0.53 0.00 0.00 54.58 54.57 2k54 n ASN 45 Cb 1.00 0.00 0.09 0.00 -2.08 0.00 0.00 39.78 38.79 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 0.91 -0.35 -2.53 0.00 -1.38 -3.03 119.26 112.88 2k54 h ALA 46 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2k54 h ALA 46 Cb 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2k54 h ALA 46 CO 0.00 0.15 0.09 0.00 0.00 0.00 0.00 179.25 179.49 2k54 h ALA 47 N 1.32 1.51 0.01 0.00 0.00 -1.91 -0.63 119.26 119.56 2k54 h ALA 47 Ca 0.29 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.87 2k54 h ALA 47 Cb 0.08 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2k54 h ALA 47 CO -0.13 0.37 -0.88 0.93 0.00 0.00 0.00 179.25 179.54 2k54 h GLU 48 N 0.50 0.10 0.14 0.00 4.39 -1.94 -3.18 114.58 114.60 2k54 h GLU 48 Ca 0.12 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 2k54 h GLU 48 Cb 0.18 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2k54 h GLU 48 CO -0.00 0.91 -0.07 0.82 -1.16 0.00 0.00 179.01 179.51 2k54 h ILE 49 N 0.05 0.98 -0.47 3.13 2.04 -1.04 -3.10 117.51 119.11 2k54 h ILE 49 Ca -0.03 -0.54 -0.05 0.00 1.00 0.00 0.00 64.86 65.25 2k54 h ILE 49 Cb 1.52 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 38.89 2k54 h ILE 49 CO 0.12 0.13 0.11 0.08 0.00 0.00 0.00 178.15 178.59 2k54 h ARG 50 N -0.45 0.75 -0.20 2.37 0.11 -1.41 -2.07 114.38 113.49 2k54 h ARG 50 Ca -0.02 -0.18 -0.08 0.00 0.10 0.00 0.00 59.98 59.80 2k54 h ARG 50 Cb 0.35 -0.10 -0.01 0.00 1.11 0.00 0.00 29.97 31.32 2k54 h ARG 50 CO 0.03 0.74 -0.22 -0.39 0.10 0.00 0.00 179.97 180.24 2k54 h VAL 51 N 0.63 1.24 -0.15 0.08 -1.51 -1.65 0.13 116.25 115.02 2k54 h VAL 51 Ca 0.15 -1.11 -0.16 0.00 -1.23 0.00 0.00 66.70 64.34 2k54 h VAL 51 Cb 0.33 1.33 -0.01 0.00 -2.13 0.00 0.00 31.29 30.82 2k54 h VAL 51 CO 0.00 0.35 -0.59 -0.09 -1.23 0.00 0.00 177.57 176.00 2k54 h ARG 52 N 0.32 0.50 0.00 5.19 2.43 -1.44 -3.07 114.38 118.31 2k54 h ARG 52 Ca 0.05 -0.34 -0.15 0.00 -0.81 0.00 0.00 59.98 58.73 2k54 h ARG 52 Cb 0.56 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 2k54 h ARG 52 CO 0.04 0.95 -0.73 0.45 -1.51 0.00 0.00 179.97 179.16 2k54 h HIS 53 N 0.38 0.00 -0.79 2.20 3.86 -0.76 -3.24 115.15 116.80 2k54 h HIS 53 Ca -0.00 0.00 0.09 0.00 -1.16 0.00 0.00 60.37 59.30 2k54 h HIS 53 Cb 1.14 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 29.54 2k54 h HIS 53 CO 0.04 0.73 0.44 0.82 0.86 0.00 0.00 177.93 180.83 2k54 h ILE 54 N 0.00 0.91 -1.01 2.45 2.04 -0.67 0.13 117.51 121.36 2k54 h ILE 54 Ca -0.01 -0.26 0.01 0.00 1.00 0.00 0.00 64.86 65.61 2k54 h ILE 54 Cb 1.35 0.09 -0.05 0.00 -0.74 0.00 0.00 36.82 37.47 2k54 h ILE 54 CO 0.10 0.14 0.67 -0.33 0.00 0.00 0.00 178.15 178.72 2k54 h GLU 55 N 0.75 1.33 0.00 2.37 5.08 -1.58 -0.79 114.58 121.74 2k54 h GLU 55 Ca 0.38 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.53 2k54 h GLU 55 Cb 0.34 -0.30 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 2k54 h GLU 55 CO -0.24 0.88 -0.58 -0.09 -1.00 0.00 0.00 179.01 177.98 2k54 h ARG 56 N 1.37 0.00 -0.00 2.33 9.65 -1.33 -2.97 114.38 123.43 2k54 h ARG 56 Ca 0.37 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.25 2k54 h ARG 56 Cb -0.16 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.42 2k54 h ARG 56 CO -0.08 0.58 -0.10 1.19 2.80 0.00 0.00 179.97 184.36 2k54 n PHE 57 N -3.65 0.00 0.08 2.20 3.01 0.33 -3.57 117.46 115.87 2k54 n PHE 57 Ca -0.01 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.34 2k54 n PHE 57 Cb 0.62 -0.40 -0.05 0.00 -0.01 0.00 0.00 39.48 39.64 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 0.05 0.29 -5.92 -1.08 1.79 -1.00 -3.44 116.57 107.25 2k54 h LYS 58 Ca 0.00 -0.34 -0.59 0.00 -2.18 0.00 0.00 60.65 57.54 2k54 h LYS 58 Cb 0.46 0.10 -0.08 0.00 -1.58 0.00 0.00 32.23 31.13 2k54 h LYS 58 CO 0.00 1.06 0.56 -1.83 -1.08 0.00 0.00 179.45 178.16 2k54 s GLU 59 N -3.11 4.09 0.00 3.15 -1.05 -1.23 -4.94 118.70 115.60 2k54 s GLU 59 Ca -0.04 0.89 0.21 0.00 -0.15 0.00 0.00 54.97 55.87 2k54 s GLU 59 Cb 0.09 -3.69 0.92 0.00 -0.44 0.00 0.00 34.13 31.00 2k54 s GLU 59 CO 0.85 -0.67 1.66 -0.35 0.95 0.00 0.00 175.26 177.71 2k54 n PRO 60 N 6.29 0.06 0.08 -4.83 -0.04 -1.26 -2.47 135.00 132.83 2k54 n PRO 60 Ca 0.07 0.13 0.13 0.00 -0.04 0.00 0.00 63.50 63.79 2k54 n PRO 60 Cb 0.47 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.89 2k54 n PRO 60 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2k54 n ASP 61 N -1.46 0.58 -4.59 3.54 5.75 -1.26 -4.78 116.55 114.34 2k54 n ASP 61 Ca 0.06 0.57 -0.44 0.00 -0.01 0.00 0.00 54.79 54.97 2k54 n ASP 61 Cb 0.23 -0.72 -0.04 0.00 -1.03 0.00 0.00 41.12 39.56 2k54 n ASP 61 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2k54 n LEU 62 N -2.07 3.23 -3.53 -2.12 7.94 -1.03 -4.48 117.00 114.94 2k54 n LEU 62 Ca 0.05 0.33 -0.11 0.00 -1.11 0.00 0.00 56.01 55.17 2k54 n LEU 62 Cb 0.37 -1.51 -0.10 0.00 0.53 0.00 0.00 43.42 42.70 2k54 n LEU 62 CO 0.27 -0.58 -0.06 -0.47 -1.11 0.00 0.00 177.39 175.44 2k54 s TYR 63 N 7.65 -0.67 -0.48 1.96 5.04 -1.26 -4.89 117.35 124.71 2k54 s TYR 63 Ca 1.00 1.02 -0.12 0.00 -2.44 0.00 0.00 57.07 56.53 2k54 s TYR 63 Cb -0.42 0.06 0.11 0.00 0.35 0.00 0.00 41.96 42.05 2k54 s TYR 63 CO 0.38 -0.55 0.37 0.20 -1.34 0.00 0.00 175.55 174.61 2k54 s GLY 64 N 2.52 2.04 -0.66 8.97 0.00 -1.26 -1.31 107.32 117.62 2k54 s GLY 64 Ca 0.05 -2.38 -0.25 0.00 0.00 0.00 0.00 44.72 42.14 2k54 s GLY 64 CO -0.13 1.09 1.08 1.85 0.00 0.00 0.00 173.10 176.99 2k54 s GLU 65 N 1.48 3.21 -0.08 2.90 2.12 -0.77 -4.84 118.70 122.71 2k54 s GLU 65 Ca 0.04 -0.45 -0.25 0.00 0.36 0.00 0.00 54.97 54.67 2k54 s GLU 65 Cb -0.26 -4.16 -0.03 0.00 0.26 0.00 0.00 34.13 29.94 2k54 s GLU 65 CO 0.02 -1.86 0.79 -1.17 -0.54 0.00 0.00 175.26 172.50 2k54 s LEU 66 N 4.66 4.29 -0.03 2.70 0.20 -1.26 -1.78 118.68 127.46 2k54 s LEU 66 Ca 0.29 1.27 0.02 0.00 0.69 0.00 0.00 54.13 56.41 2k54 s LEU 66 Cb -0.12 -3.21 -0.04 0.00 -0.43 0.00 0.00 46.19 42.39 2k54 s LEU 66 CO 0.15 -0.22 -0.00 0.00 -0.29 0.00 0.00 176.35 175.99 2k54 n LEU 67 N 4.18 0.86 -3.77 -0.68 -0.00 -1.04 -4.99 117.00 111.56 2k54 n LEU 67 Ca 0.02 -0.01 -0.13 0.00 -0.00 0.00 0.00 56.01 55.89 2k54 n LEU 67 Cb 0.51 0.02 -0.11 0.00 -0.00 0.00 0.00 43.42 43.83 2k54 n LEU 67 CO 0.48 0.22 -0.05 -0.89 -0.00 0.00 0.00 177.39 177.15 2k54 s THR 68 N -2.08 -0.01 -0.05 1.47 2.01 -1.14 -5.08 115.64 110.77 2k54 s THR 68 Ca -0.03 0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.00 2k54 s THR 68 Cb 0.01 -0.41 0.02 0.00 0.01 0.00 0.00 72.50 72.13 2k54 s THR 68 CO 0.12 0.01 -0.06 0.00 -0.69 0.00 0.00 174.62 174.00 2k54 s ARG 69 N 0.32 0.99 -0.17 4.92 1.70 -1.26 -0.64 118.95 124.81 2k54 s ARG 69 Ca -0.01 -0.16 -0.05 0.00 -0.47 0.00 0.00 55.73 55.04 2k54 s ARG 69 Cb -0.03 -0.95 -0.03 0.00 -0.57 0.00 0.00 34.95 33.37 2k54 s ARG 69 CO -0.01 -0.06 -0.00 0.14 -1.08 0.00 0.00 175.30 174.28 2k54 s VAL 70 N 0.89 4.18 -0.19 4.99 -7.23 0.22 -5.00 120.40 118.26 2k54 s VAL 70 Ca -0.11 -0.25 -0.02 0.00 -1.81 0.00 0.00 61.98 59.78 2k54 s VAL 70 Cb -0.15 -2.86 -0.01 0.00 0.56 0.00 0.00 36.38 33.93 2k54 s VAL 70 CO 0.01 0.48 -0.08 -0.51 -0.31 0.00 0.00 175.10 174.68 2k54 s ILE 71 N 0.42 3.18 -0.53 -0.62 2.07 -1.26 -1.08 121.20 123.37 2k54 s ILE 71 Ca -0.01 -0.58 -0.02 0.00 -1.41 0.00 0.00 60.65 58.63 2k54 s ILE 71 Cb -0.14 -2.41 0.14 0.00 0.13 0.00 0.00 42.46 40.19 2k54 s ILE 71 CO 0.02 0.46 0.34 -0.69 -1.91 0.00 0.00 174.94 173.16 2k54 s VAL 72 N 1.14 3.47 0.00 4.00 1.01 -0.08 -5.02 120.40 124.91 2k54 s VAL 72 Ca 0.01 -2.64 0.00 0.00 0.00 0.00 0.00 61.98 59.35 2k54 s VAL 72 Cb -0.14 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.92 2k54 s VAL 72 CO -0.02 -0.80 0.00 0.61 0.00 0.00 0.00 175.10 174.89 2k54 n GLY 73 N 3.88 1.93 1.63 4.51 0.00 -1.26 -1.74 105.19 114.14 2k54 n GLY 73 Ca 0.04 0.39 0.09 0.00 0.00 0.00 0.00 46.02 46.54 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 10.09 4.85 -3.92 1.61 6.94 -1.26 -4.88 115.26 128.69 2k54 n ASN 74 Ca 0.00 -2.52 -0.18 0.00 -0.02 0.00 0.00 54.58 51.85 2k54 n ASN 74 Cb 0.00 -0.60 -0.16 0.00 -2.36 0.00 0.00 39.78 36.67 2k54 n ASN 74 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2k54 s VAL 75 N -2.01 0.49 -0.05 3.53 0.11 -0.71 -0.49 120.40 121.28 2k54 s VAL 75 Ca 0.51 -0.16 0.05 0.00 -2.93 0.00 0.00 61.98 59.45 2k54 s VAL 75 Cb 0.34 -0.48 -0.01 0.00 -1.53 0.00 0.00 36.38 34.70 2k54 s VAL 75 CO 0.23 0.18 -0.21 -0.69 -3.33 0.00 0.00 175.10 171.28 2k54 s VAL 76 N 0.50 1.74 -0.27 2.04 1.01 -0.88 -0.90 120.40 123.65 2k54 s VAL 76 Ca -0.06 -0.90 -0.09 0.00 0.00 0.00 0.00 61.98 60.93 2k54 s VAL 76 Cb -0.10 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 2k54 s VAL 76 CO -0.00 0.49 0.13 -0.63 0.00 0.00 0.00 175.10 175.09 2k54 s ILE 77 N -0.13 4.81 0.20 2.22 1.01 -0.24 -1.87 121.20 127.19 2k54 s ILE 77 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.62 2k54 s ILE 77 Cb -0.12 -3.27 -0.04 0.00 0.01 0.00 0.00 42.46 39.04 2k54 s ILE 77 CO 0.02 0.29 0.38 1.51 0.00 0.00 0.00 174.94 177.14 2k54 s ASP 78 N 1.69 6.37 -0.20 3.58 -4.77 -1.01 -0.61 116.67 121.71 2k54 s ASP 78 Ca 0.07 0.35 -0.04 0.00 -3.30 0.00 0.00 52.55 49.63 2k54 s ASP 78 Cb -0.16 -1.99 0.07 0.00 -1.09 0.00 0.00 42.92 39.75 2k54 s ASP 78 CO 0.07 -0.04 0.07 -2.28 0.70 0.00 0.00 175.17 173.70 2k54 s HIS 79 N -1.87 0.60 0.37 2.11 2.46 0.19 -2.34 115.29 116.80 2k54 s HIS 79 Ca 0.38 -0.65 0.07 0.00 0.47 0.00 0.00 55.06 55.32 2k54 s HIS 79 Cb -0.11 -0.89 -0.07 0.00 -0.13 0.00 0.00 32.58 31.38 2k54 s HIS 79 CO 0.29 -0.60 -0.00 -1.83 -2.47 0.00 0.00 174.74 170.13 2k54 s GLU 80 N 2.00 1.83 -0.33 2.88 4.04 -1.21 -2.49 118.70 125.41 2k54 s GLU 80 Ca 0.02 -2.01 -0.01 0.00 0.04 0.00 0.00 54.97 53.02 2k54 s GLU 80 Cb -0.16 -1.42 0.08 0.00 0.02 0.00 0.00 34.13 32.64 2k54 s GLU 80 CO -0.12 -0.04 0.05 0.99 -1.84 0.00 0.00 175.26 174.30 2k54 s THR 81 N -2.86 2.87 -0.15 1.83 2.01 -0.73 -2.38 115.64 116.24 2k54 s THR 81 Ca 0.34 -1.75 -0.23 0.00 0.31 0.00 0.00 61.69 60.36 2k54 s THR 81 Cb 0.08 -2.82 -0.02 0.00 0.01 0.00 0.00 72.50 69.75 2k54 s THR 81 CO 0.17 -0.34 0.74 0.68 -0.69 0.00 0.00 174.62 175.17 2k54 s VAL 82 N 1.15 4.97 -0.19 3.82 -7.23 -0.14 -1.85 120.40 120.92 2k54 s VAL 82 Ca 0.01 1.45 -0.29 0.00 -1.81 0.00 0.00 61.98 61.34 2k54 s VAL 82 Cb -0.20 -4.05 -0.02 0.00 0.56 0.00 0.00 36.38 32.66 2k54 s VAL 82 CO -0.03 0.11 1.44 -0.89 -0.31 0.00 0.00 175.10 175.41 2k54 s THR 83 N 1.72 3.97 -0.14 5.32 2.01 -0.42 -1.49 115.64 126.61 2k54 s THR 83 Ca 0.35 1.14 0.00 0.00 0.31 0.00 0.00 61.69 63.49 2k54 s THR 83 Cb -0.17 -3.85 0.02 0.00 0.01 0.00 0.00 72.50 68.51 2k54 s THR 83 CO 0.13 -0.23 -0.13 -0.13 -0.69 0.00 0.00 174.62 173.57 2k54 s ARG 84 N 4.05 2.16 -0.98 4.92 1.81 -0.86 -3.98 118.95 126.06 2k54 s ARG 84 Ca 0.63 -0.51 -0.24 0.00 -1.72 0.00 0.00 55.73 53.89 2k54 s ARG 84 Cb -0.24 -1.98 -0.00 0.00 -0.45 0.00 0.00 34.95 32.28 2k54 s ARG 84 CO 0.23 -0.21 1.73 -0.80 -0.68 0.00 0.00 175.30 175.57 2k54 s ASN 85 N 1.44 5.76 0.29 0.23 0.02 -1.25 -3.72 114.94 117.70 2k54 s ASN 85 Ca 0.03 -1.10 -0.23 0.00 -1.02 0.00 0.00 52.86 50.55 2k54 s ASN 85 Cb -0.13 -2.57 -0.09 0.00 0.02 0.00 0.00 41.25 38.48 2k54 s ASN 85 CO -0.09 -2.19 0.84 -0.36 0.02 0.00 0.00 177.10 175.33 2k54 s PHE 86 N 7.79 3.64 0.67 2.20 0.08 -1.23 -4.98 117.98 126.14 2k54 s PHE 86 Ca 0.59 1.58 0.44 0.00 0.12 0.00 0.00 56.93 59.67 2k54 s PHE 86 Cb -0.03 -2.77 2.41 0.00 -0.57 0.00 0.00 43.02 42.05 2k54 s PHE 86 CO -0.04 0.24 2.36 -1.00 -0.10 0.00 0.00 175.22 176.69 2k54 h PRO 87 N 3.17 0.00 0.00 0.24 0.13 -1.94 -2.35 132.00 131.25 2k54 h PRO 87 Ca -0.47 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.49 2k54 h PRO 87 Cb 1.19 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.30 2k54 h PRO 87 CO 0.65 0.00 -0.92 1.05 -0.23 0.00 0.00 178.00 178.55 2k54 h GLU 88 N 0.00 0.00 0.00 0.86 9.09 -2.00 -3.50 114.58 119.03 2k54 h GLU 88 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2k54 h GLU 88 Cb 0.02 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.12 2k54 h GLU 88 CO -0.00 0.66 0.00 0.41 0.05 0.00 0.00 179.01 180.13 2k54 n GLY 89 N 1.32 -0.71 0.00 1.06 0.00 -0.89 -5.05 105.19 100.93 2k54 n GLY 89 Ca -0.02 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.61 1.61 3.00 -1.26 -3.82 118.16 117.08 2k54 n LYS 90 Ca 0.00 0.55 0.00 0.00 -0.00 0.00 0.00 58.31 58.86 2k54 n LYS 90 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 35.03 33.59 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 -0.95 1.40 3.53 3.14 0.00 -1.12 -3.55 105.19 107.64 2k54 n GLY 91 Ca 0.00 -0.24 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.77 3.39 -0.03 1.61 -1.05 -0.11 -2.03 118.70 118.71 2k54 s GLU 92 Ca 0.00 -0.14 -0.00 0.00 -0.15 0.00 0.00 54.97 54.67 2k54 s GLU 92 Cb 0.00 -3.99 -0.04 0.00 -0.44 0.00 0.00 34.13 29.66 2k54 s GLU 92 CO 0.00 -1.32 0.04 0.14 0.95 0.00 0.00 175.26 175.08 2k54 s VAL 93 N 3.68 4.50 0.07 1.83 -7.23 -0.56 -2.20 120.40 120.50 2k54 s VAL 93 Ca 0.31 -0.41 -0.15 0.00 -1.81 0.00 0.00 61.98 59.92 2k54 s VAL 93 Cb -0.12 -3.01 -0.06 0.00 0.56 0.00 0.00 36.38 33.75 2k54 s VAL 93 CO 0.22 0.42 0.49 1.51 -0.31 0.00 0.00 175.10 177.43 2k54 s ASP 94 N -1.48 6.86 0.07 4.85 -4.77 -1.22 -0.97 116.67 120.01 2k54 s ASP 94 Ca 0.19 1.05 0.05 0.00 -3.30 0.00 0.00 52.55 50.55 2k54 s ASP 94 Cb -0.12 -2.28 -0.03 0.00 -1.09 0.00 0.00 42.92 39.41 2k54 s ASP 94 CO 0.10 0.23 -0.14 -0.69 0.70 0.00 0.00 175.17 175.36 2k54 s VAL 95 N -1.24 1.13 -0.35 2.11 1.01 -1.00 -0.26 120.40 121.80 2k54 s VAL 95 Ca 0.30 -1.28 0.02 0.00 0.00 0.00 0.00 61.98 61.02 2k54 s VAL 95 Cb -0.17 -1.08 0.10 0.00 0.00 0.00 0.00 36.38 35.23 2k54 s VAL 95 CO 0.17 -0.19 0.07 0.00 0.00 0.00 0.00 175.10 175.15 2k54 s ALA 96 N -1.22 2.93 -0.44 5.51 0.00 -0.17 -3.35 121.76 125.01 2k54 s ALA 96 Ca -0.01 -2.41 -0.16 0.00 0.00 0.00 0.00 51.96 49.38 2k54 s ALA 96 Cb -0.10 -2.05 0.04 0.00 0.00 0.00 0.00 23.12 21.01 2k54 s ALA 96 CO 0.02 -1.64 0.42 0.00 0.00 0.00 0.00 175.76 174.56 2k54 s ILE 98 N 1.95 5.22 -0.02 0.00 2.07 0.29 -2.42 121.20 128.29 2k54 s ILE 98 Ca 0.08 -0.35 0.04 0.00 -1.41 0.00 0.00 60.65 59.02 2k54 s ILE 98 Cb -0.20 -3.87 -0.01 0.00 0.13 0.00 0.00 42.46 38.51 2k54 s ILE 98 CO 0.10 -0.21 -0.15 -0.72 -1.91 0.00 0.00 174.94 172.06 2k54 s TYR 99 N 1.85 1.37 -0.37 3.50 -0.85 -0.78 -0.62 117.35 121.44 2k54 s TYR 99 Ca 0.08 -0.30 -0.15 0.00 -0.52 0.00 0.00 57.07 56.19 2k54 s TYR 99 Cb -0.18 -0.90 -0.00 0.00 0.38 0.00 0.00 41.96 41.26 2k54 s TYR 99 CO 0.11 -0.06 0.32 -2.00 -1.52 0.00 0.00 175.55 172.40 2k54 s GLU 100 N -0.21 3.33 -0.33 -3.49 2.12 0.01 -2.07 118.70 118.07 2k54 s GLU 100 Ca 0.03 -0.68 -0.22 0.00 0.36 0.00 0.00 54.97 54.46 2k54 s GLU 100 Cb -0.07 -3.87 -0.00 0.00 0.26 0.00 0.00 34.13 30.45 2k54 s GLU 100 CO 0.00 -0.60 0.71 0.08 -0.54 0.00 0.00 175.26 174.91 2k54 s VAL 101 N 1.86 4.84 -0.09 3.70 1.01 0.36 -1.15 120.40 130.93 2k54 s VAL 101 Ca 0.08 0.89 0.03 0.00 0.00 0.00 0.00 61.98 62.98 2k54 s VAL 101 Cb -0.17 -4.10 0.01 0.00 0.00 0.00 0.00 36.38 32.11 2k54 s VAL 101 CO 0.11 -0.27 -0.17 -0.70 0.00 0.00 0.00 175.10 174.07 2k54 s GLU 102 N 2.83 2.36 -1.69 2.72 2.56 0.26 -4.69 118.70 123.04 2k54 s GLU 102 Ca 0.28 -0.63 -0.01 0.00 0.00 0.00 0.00 54.97 54.61 2k54 s GLU 102 Cb -0.14 -1.88 0.00 0.00 2.00 0.00 0.00 34.13 34.11 2k54 s GLU 102 CO 0.14 0.06 0.12 0.09 -0.56 0.00 0.00 175.26 175.10 2k54 n ASN 103 N 3.82 -5.81 0.00 -1.70 3.02 -1.26 -2.17 115.26 111.16 2k54 n ASN 103 Ca -0.20 -0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.29 2k54 n ASN 103 Cb 0.52 -4.81 0.00 0.00 -0.61 0.00 0.00 39.78 34.88 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 -1.10 3.20 3.68 7.41 0.00 -1.26 -5.02 105.19 112.09 2k54 n GLY 104 Ca -0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.40 2.96 -0.42 1.61 1.81 -0.92 -4.70 118.95 118.89 2k54 s ARG 105 Ca 0.00 -0.43 -0.28 0.00 -1.72 0.00 0.00 55.73 53.31 2k54 s ARG 105 Cb 0.00 -2.78 -0.03 0.00 -0.45 0.00 0.00 34.95 31.70 2k54 s ARG 105 CO 0.00 0.70 1.89 0.42 -0.68 0.00 0.00 175.30 177.63 2k54 s ILE 106 N -0.90 3.37 0.10 1.52 1.01 -1.18 -0.57 121.20 124.55 2k54 s ILE 106 Ca 0.14 0.34 -0.02 0.00 0.00 0.00 0.00 60.65 61.11 2k54 s ILE 106 Cb -0.11 -3.64 -0.24 0.00 0.01 0.00 0.00 42.46 38.48 2k54 s ILE 106 CO 0.03 -0.49 1.21 0.00 0.00 0.00 0.00 174.94 175.69 2k54 h ALA 107 N 14.18 0.22 -2.96 9.38 0.00 -1.40 -1.11 119.26 137.57 2k54 h ALA 107 Ca -0.31 -0.84 -0.16 0.00 0.00 0.00 0.00 54.91 53.60 2k54 h ALA 107 Cb 1.18 -0.03 -0.22 0.00 0.00 0.00 0.00 17.79 18.72 2k54 h ALA 107 CO 1.09 0.98 -0.52 0.15 0.00 0.00 0.00 179.25 180.96 2k54 s LYS 108 N -2.82 0.38 -0.00 0.00 1.02 -1.18 -2.04 119.74 115.09 2k54 s LYS 108 Ca -0.03 -0.21 0.00 0.00 0.02 0.00 0.00 55.97 55.74 2k54 s LYS 108 Cb 0.08 0.16 0.01 0.00 -0.52 0.00 0.00 37.83 37.56 2k54 s LYS 108 CO 0.87 -0.08 0.01 0.00 -0.92 0.00 0.00 175.35 175.22 2k54 s ALA 109 N -0.92 0.03 0.02 5.17 0.00 0.47 -0.81 121.76 125.72 2k54 s ALA 109 Ca -0.10 0.06 -0.01 0.00 0.00 0.00 0.00 51.96 51.91 2k54 s ALA 109 Cb -0.06 -0.06 -0.02 0.00 0.00 0.00 0.00 23.12 22.99 2k54 s ALA 109 CO 0.01 -0.02 -0.01 -1.58 0.00 0.00 0.00 175.76 174.16 2k54 s TRP 110 N 0.22 0.20 -0.01 0.00 0.51 0.21 -0.95 118.94 119.12 2k54 s TRP 110 Ca -0.02 -0.42 -0.07 0.00 -2.12 0.00 0.00 56.10 53.48 2k54 s TRP 110 Cb -0.03 -0.15 0.00 0.00 -0.81 0.00 0.00 33.47 32.49 2k54 s TRP 110 CO -0.01 -0.17 0.14 -0.59 -0.51 0.00 0.00 176.95 175.81 2k54 s PHE 111 N -1.22 -0.01 -0.08 -1.98 -0.71 -1.16 -0.55 117.98 112.27 2k54 s PHE 111 Ca -0.13 0.01 0.02 0.00 -1.04 0.00 0.00 56.93 55.78 2k54 s PHE 111 Cb -0.08 -0.02 0.01 0.00 -1.21 0.00 0.00 43.02 41.72 2k54 s PHE 111 CO -0.01 -0.23 -0.13 -1.59 -1.34 0.00 0.00 175.22 171.92 2k54 s LYS 112 N -0.98 1.92 -0.23 1.99 -2.85 -0.72 -1.76 119.74 117.11 2k54 s LYS 112 Ca -0.11 -0.47 -0.21 0.00 -1.00 0.00 0.00 55.97 54.19 2k54 s LYS 112 Cb -0.06 -1.61 -0.02 0.00 -2.06 0.00 0.00 37.83 34.08 2k54 s LYS 112 CO 0.01 -0.01 0.63 0.42 0.10 0.00 0.00 175.35 176.50 2k54 s ILE 113 N 0.82 5.00 0.00 3.79 1.01 -1.26 -1.00 121.20 129.56 2k54 s ILE 113 Ca -0.11 1.16 0.00 0.00 0.00 0.00 0.00 60.65 61.70 2k54 s ILE 113 Cb -0.15 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.38 2k54 s ILE 113 CO 0.02 0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.64 2k54 n GLY 114 N 3.97 -1.60 3.14 6.18 0.00 0.64 -4.99 105.19 112.54 2k54 n GLY 114 Ca -0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 2k54 n GLY 114 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2k54 s GLU 115 N 0.00 0.76 -0.36 1.61 -1.05 -1.26 -5.00 118.70 113.40 2k54 s GLU 115 Ca 0.00 -1.10 -0.21 0.00 -0.15 0.00 0.00 54.97 53.51 2k54 s GLU 115 Cb 0.00 -0.38 0.00 0.00 -0.44 0.00 0.00 34.13 33.31 2k54 s GLU 115 CO 0.00 0.05 0.67 -1.25 0.95 0.00 0.00 175.26 175.68 2k54 s PRO 116 N -2.74 3.70 0.16 -4.83 0.04 -1.26 -3.45 135.00 126.62 2k54 s PRO 116 Ca 0.03 0.12 0.07 0.00 0.04 0.00 0.00 61.00 61.27 2k54 s PRO 116 Cb -0.03 -3.81 -0.04 0.00 0.04 0.00 0.00 34.50 30.67 2k54 s PRO 116 CO -0.01 -0.76 -0.04 1.03 0.04 0.00 0.00 177.00 177.26 2k54 s ARG 117 N 2.79 2.29 0.12 4.56 0.52 -0.94 -4.99 118.95 123.32 2k54 s ARG 117 Ca 0.26 -1.11 0.05 0.00 -0.52 0.00 0.00 55.73 54.41 2k54 s ARG 117 Cb -0.14 -2.32 -0.04 0.00 0.52 0.00 0.00 34.95 32.97 2k54 s ARG 117 CO 0.15 0.47 -0.12 0.42 0.02 0.00 0.00 175.30 176.24 2k54 s ILE 118 N -1.60 1.16 0.07 1.52 -1.09 -1.26 -0.94 121.20 119.06 2k54 s ILE 118 Ca 0.26 -1.77 -0.17 0.00 -2.23 0.00 0.00 60.65 56.74 2k54 s ILE 118 Cb -0.10 -1.54 -0.12 0.00 -1.58 0.00 0.00 42.46 39.13 2k54 s ILE 118 CO 0.17 -0.54 1.37 0.58 -1.23 0.00 0.00 174.94 175.29 2k54 h VAL 119 N 3.37 1.33 0.00 2.92 2.07 -1.97 -3.11 116.25 120.86 2k54 h VAL 119 Ca -0.38 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 65.68 2k54 h VAL 119 Cb 1.19 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.73 2k54 h VAL 119 CO 0.54 0.45 0.00 -0.24 0.02 0.00 0.00 177.57 178.34 2k54 n SER 120 N -4.36 0.00 0.04 0.57 2.88 -1.26 -2.42 113.62 109.07 2k54 n SER 120 Ca -0.05 0.26 -0.04 0.00 -1.33 0.00 0.00 58.87 57.72 2k54 n SER 120 Cb 0.45 -0.40 0.19 0.00 -0.75 0.00 0.00 64.21 63.71 2k54 n SER 120 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 2k54 h GLN 121 N 0.00 0.41 0.00 -1.46 4.15 -1.95 -3.45 115.11 112.81 2k54 h GLN 121 Ca 0.00 -0.18 -0.13 0.00 0.77 0.00 0.00 58.65 59.12 2k54 h GLN 121 Cb 0.25 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 2k54 h GLN 121 CO 0.00 0.70 -0.05 0.36 -1.93 0.00 0.00 178.83 177.91 2k54 n LYS 122 N -4.07 1.23 0.00 1.69 2.85 -1.02 -5.04 118.16 113.80 2k54 n LYS 122 Ca -0.01 -0.76 0.00 0.00 -1.05 0.00 0.00 58.31 56.49 2k54 n LYS 122 Cb 0.45 0.05 0.00 0.00 -0.65 0.00 0.00 35.03 34.89 2k54 n LYS 122 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80