#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 0.98 -0.07 7.83 6.94 -1.26 -4.88 115.26 124.80 2k54 n ASN 2 Ca 0.00 -2.48 -0.13 0.00 -0.02 0.00 0.00 54.58 51.96 2k54 n ASN 2 Cb 0.00 -0.31 -0.06 0.00 -2.36 0.00 0.00 39.78 37.05 2k54 n ASN 2 CO 0.00 0.00 0.00 -1.28 -1.03 0.00 0.00 177.26 174.95 2k54 h SER 3 N 0.16 0.43 0.05 0.53 0.87 -1.99 -3.03 113.55 110.58 2k54 h SER 3 Ca -0.02 -0.43 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 2k54 h SER 3 Cb 1.29 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2k54 h SER 3 CO 0.01 0.77 0.00 1.05 -0.53 0.00 0.00 176.83 178.13 2k54 h GLU 4 N 0.10 0.00 0.08 2.24 4.11 -2.00 0.17 114.58 119.28 2k54 h GLU 4 Ca 0.04 0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.16 2k54 h GLU 4 Cb 0.62 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.84 2k54 h GLU 4 CO 0.03 0.00 -1.66 0.82 0.07 0.00 0.00 179.01 178.27 2k54 h ILE 5 N 0.00 0.96 0.00 -1.06 1.08 -1.90 -3.37 117.51 113.23 2k54 h ILE 5 Ca 0.00 -2.70 0.00 0.00 -0.39 0.00 0.00 64.86 61.77 2k54 h ILE 5 Cb 0.03 2.60 0.00 0.00 -3.07 0.00 0.00 36.82 36.38 2k54 h ILE 5 CO 0.00 0.74 -0.61 -0.33 -0.69 0.00 0.00 178.15 177.26 2k54 h GLU 6 N 0.04 0.00 0.03 2.37 5.08 -1.00 -3.34 114.58 117.76 2k54 h GLU 6 Ca -0.28 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2k54 h GLU 6 Cb 2.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.26 2k54 h GLU 6 CO 0.12 0.00 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.04 2k54 h LEU 7 N 0.00 -0.04 0.03 1.33 3.38 -0.91 0.12 115.31 119.23 2k54 h LEU 7 Ca 0.00 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.86 2k54 h LEU 7 Cb 0.89 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.63 2k54 h LEU 7 CO 0.00 0.11 -0.12 1.55 0.09 0.00 0.00 178.44 180.06 2k54 h PRO 8 N -0.18 -0.22 -0.10 1.13 0.13 -1.76 -2.86 132.00 128.14 2k54 h PRO 8 Ca -0.00 0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 65.10 2k54 h PRO 8 Cb 0.16 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.33 2k54 h PRO 8 CO 0.01 -0.15 -0.14 0.28 -0.23 0.00 0.00 178.00 177.77 2k54 h VAL 9 N -0.23 1.16 -0.04 1.56 2.07 -1.65 0.58 116.25 119.70 2k54 h VAL 9 Ca 0.03 -0.71 -0.05 0.00 0.82 0.00 0.00 66.70 66.80 2k54 h VAL 9 Cb 0.27 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 2k54 h VAL 9 CO -0.10 0.22 -0.15 -0.61 0.02 0.00 0.00 177.57 176.95 2k54 h GLN 10 N 0.15 0.18 0.00 1.57 -0.00 -0.76 -3.05 115.11 113.19 2k54 h GLN 10 Ca 0.03 -0.13 -0.06 0.00 -0.00 0.00 0.00 58.65 58.48 2k54 h GLN 10 Cb 0.34 0.02 -0.01 0.00 0.00 0.00 0.00 27.48 27.84 2k54 h GLN 10 CO 0.02 0.76 -0.30 0.87 0.00 0.00 0.00 178.83 180.19 2k54 h LYS 11 N -0.37 0.00 -0.30 1.69 1.79 -1.22 -2.84 116.57 115.33 2k54 h LYS 11 Ca -0.01 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2k54 h LYS 11 Cb 0.78 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.41 2k54 h LYS 11 CO 0.03 0.30 0.18 1.96 -1.08 0.00 0.00 179.45 180.83 2k54 h GLN 12 N 0.00 0.42 -0.14 3.15 4.20 -0.89 -1.41 115.11 120.44 2k54 h GLN 12 Ca -0.00 -0.04 0.03 0.00 0.06 0.00 0.00 58.65 58.70 2k54 h GLN 12 Cb 0.76 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.42 2k54 h GLN 12 CO 0.04 0.33 -0.07 1.25 -0.67 0.00 0.00 178.83 179.71 2k54 h LEU 13 N 0.38 -0.22 -0.50 1.46 7.12 -1.39 0.35 115.31 122.52 2k54 h LEU 13 Ca 0.11 0.06 0.04 0.00 0.13 0.00 0.00 57.88 58.21 2k54 h LEU 13 Cb 0.03 0.13 -0.04 0.00 -0.53 0.00 0.00 40.66 40.24 2k54 h LEU 13 CO -0.02 -0.09 0.26 -0.33 -0.13 0.00 0.00 178.44 178.13 2k54 h GLU 14 N -0.05 0.49 0.00 1.25 4.39 -1.42 -0.70 114.58 118.54 2k54 h GLU 14 Ca 0.08 -0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.69 2k54 h GLU 14 Cb 0.17 -0.11 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 2k54 h GLU 14 CO -0.18 0.33 -0.29 0.00 -1.16 0.00 0.00 179.01 177.71 2k54 h ALA 15 N 1.26 1.18 -0.14 3.43 0.00 -0.96 -0.98 119.26 123.05 2k54 h ALA 15 Ca 0.21 -0.27 -0.21 0.00 0.00 0.00 0.00 54.91 54.65 2k54 h ALA 15 Cb 0.11 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.86 2k54 h ALA 15 CO -0.14 0.36 -0.76 -0.92 0.00 0.00 0.00 179.25 177.79 2k54 h TYR 16 N 0.00 0.95 0.00 0.00 3.20 0.12 -0.10 116.97 121.14 2k54 h TYR 16 Ca -0.00 -0.42 -0.30 0.00 3.14 0.00 0.00 58.73 61.15 2k54 h TYR 16 Cb 0.67 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.74 2k54 h TYR 16 CO 0.00 1.23 -1.76 0.27 -1.64 0.00 0.00 178.16 176.26 2k54 n ASN 17 N -3.91 0.79 -0.52 -2.11 0.23 -0.94 -4.09 115.26 104.71 2k54 n ASN 17 Ca -0.07 0.38 0.14 0.00 -0.53 0.00 0.00 54.58 54.50 2k54 n ASN 17 Cb 0.74 0.04 0.49 0.00 -2.08 0.00 0.00 39.78 38.96 2k54 n ASN 17 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2k54 n ALA 18 N -2.57 2.56 -1.79 -2.53 0.00 -0.38 -4.95 120.51 110.85 2k54 n ALA 18 Ca -0.18 -0.47 -0.15 0.00 0.00 0.00 0.00 53.44 52.64 2k54 n ALA 18 Cb 1.06 -1.14 -0.04 0.00 0.00 0.00 0.00 19.45 19.33 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 0.27 -1.09 -2.86 0.00 5.12 -0.17 -4.96 116.66 112.98 2k54 n ARG 19 Ca 0.19 0.89 -0.43 0.00 -1.93 0.00 0.00 57.85 56.56 2k54 n ARG 19 Cb 0.37 -5.10 -0.03 0.00 -1.16 0.00 0.00 32.46 26.54 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 -2.63 6.38 0.43 0.55 1.01 -0.52 -4.86 116.67 117.03 2k54 s ASP 20 Ca 0.00 -1.44 0.13 0.00 0.71 0.00 0.00 52.55 51.95 2k54 s ASP 20 Cb 0.00 -2.42 0.93 0.00 1.01 0.00 0.00 42.92 42.44 2k54 s ASP 20 CO 0.00 -1.30 1.96 0.40 0.21 0.00 0.00 175.17 176.44 2k54 h ILE 21 N 5.98 1.15 -0.39 0.77 1.08 -1.93 -1.99 117.51 122.19 2k54 h ILE 21 Ca -0.07 -0.71 -0.01 0.00 -0.39 0.00 0.00 64.86 63.68 2k54 h ILE 21 Cb 1.05 1.33 -0.02 0.00 -3.07 0.00 0.00 36.82 36.11 2k54 h ILE 21 CO 1.17 0.21 0.20 -0.78 -0.69 0.00 0.00 178.15 178.26 2k54 h ASP 22 N 0.05 0.49 0.26 1.72 3.58 -1.97 0.15 116.42 120.69 2k54 h ASP 22 Ca 0.01 -0.10 -0.21 0.00 0.42 0.00 0.00 57.03 57.15 2k54 h ASP 22 Cb 0.36 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.28 2k54 h ASP 22 CO 0.02 0.46 -0.85 0.00 -2.88 0.00 0.00 179.24 175.99 2k54 h ALA 23 N 1.06 0.44 0.00 -0.78 0.00 -1.94 0.11 119.26 118.14 2k54 h ALA 23 Ca 0.14 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2k54 h ALA 23 Cb 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2k54 h ALA 23 CO -0.02 0.78 0.00 0.34 0.00 0.00 0.00 179.25 180.35 2k54 n PHE 24 N -3.80 0.00 0.00 0.00 7.35 -0.75 -2.78 117.46 117.48 2k54 n PHE 24 Ca -0.06 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.63 2k54 n PHE 24 Cb 0.78 -0.22 0.00 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 -1.22 1.41 -0.12 -4.13 1.56 0.48 -4.84 117.12 110.27 2k54 n MET 25 Ca 0.10 0.00 0.03 0.00 -0.27 0.00 0.00 57.70 57.55 2k54 n MET 25 Cb 0.12 -0.98 0.34 0.00 2.15 0.00 0.00 33.22 34.86 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 0.00 1.60 -0.00 -5.12 0.00 -0.60 -2.32 119.26 112.81 2k54 h ALA 26 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2k54 h ALA 26 Cb 0.30 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2k54 h ALA 26 CO 0.00 0.36 -0.38 0.91 0.00 0.00 0.00 179.25 180.14 2k54 n TRP 27 N -4.45 0.00 -3.44 0.00 7.02 -1.25 -4.92 117.44 110.39 2k54 n TRP 27 Ca 0.06 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.18 2k54 n TRP 27 Cb 0.06 -0.19 -0.06 0.00 -2.42 0.00 0.00 31.31 28.70 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 -2.77 3.64 0.61 -5.99 0.52 -0.88 -1.65 118.94 112.42 2k54 s TRP 28 Ca 0.17 0.98 -0.17 0.00 0.02 0.00 0.00 56.10 57.10 2k54 s TRP 28 Cb 0.18 -2.30 -0.03 0.00 -1.15 0.00 0.00 33.47 30.18 2k54 s TRP 28 CO 0.61 0.51 1.14 0.00 0.02 0.00 0.00 176.95 179.23 2k54 s ALA 29 N -1.35 2.55 0.25 0.98 0.00 -0.42 -4.75 121.76 119.02 2k54 s ALA 29 Ca 0.33 0.74 0.26 0.00 0.00 0.00 0.00 51.96 53.29 2k54 s ALA 29 Cb -0.15 -3.36 1.14 0.00 0.00 0.00 0.00 23.12 20.75 2k54 s ALA 29 CO 0.18 -1.10 1.93 0.22 0.00 0.00 0.00 175.76 176.99 2k54 h ASP 30 N 0.59 0.00 -0.58 0.00 3.58 -1.96 -2.35 116.42 115.70 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 1.26 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.31 2k54 h ASP 30 CO 0.55 0.19 0.00 -0.67 -2.88 0.00 0.00 179.24 176.43 2k54 n ASP 31 N -3.48 5.57 -4.67 2.28 2.03 -1.26 -2.05 116.55 114.96 2k54 n ASP 31 Ca -0.01 -2.86 -0.42 0.00 0.52 0.00 0.00 54.79 52.02 2k54 n ASP 31 Cb 0.35 -0.67 -0.03 0.00 -0.72 0.00 0.00 41.12 40.05 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 3.41 3.75 -0.16 0.00 -1.52 -0.47 -0.89 119.66 123.79 2k54 s GLN 33 Ca 0.76 0.38 -0.04 0.00 -1.95 0.00 0.00 55.36 54.51 2k54 s GLN 33 Cb -0.38 -2.44 0.08 0.00 -0.22 0.00 0.00 33.01 30.05 2k54 s GLN 33 CO 0.32 0.02 0.21 -0.47 -0.25 0.00 0.00 175.29 175.13 2k54 s TYR 34 N -2.30 -0.28 0.16 0.91 5.04 0.40 -0.92 117.35 120.35 2k54 s TYR 34 Ca 0.50 0.45 0.06 0.00 -2.44 0.00 0.00 57.07 55.64 2k54 s TYR 34 Cb -0.10 -0.28 -0.04 0.00 0.35 0.00 0.00 41.96 41.89 2k54 s TYR 34 CO 0.31 -0.48 0.03 0.71 -1.34 0.00 0.00 175.55 174.78 2k54 s TYR 35 N 2.34 2.94 0.13 4.97 1.51 -0.83 -0.50 117.35 127.90 2k54 s TYR 35 Ca 0.05 -0.09 0.07 0.00 -1.01 0.00 0.00 57.07 56.09 2k54 s TYR 35 Cb -0.14 -1.44 -0.04 0.00 -0.11 0.00 0.00 41.96 40.23 2k54 s TYR 35 CO -0.10 0.51 -0.09 0.00 -1.11 0.00 0.00 175.55 174.77 2k54 s ALA 36 N -1.66 2.99 0.16 3.71 0.00 -0.29 -3.51 121.76 123.15 2k54 s ALA 36 Ca 0.28 -1.30 -0.33 0.00 0.00 0.00 0.00 51.96 50.62 2k54 s ALA 36 Cb -0.10 -0.88 -0.13 0.00 0.00 0.00 0.00 23.12 22.01 2k54 s ALA 36 CO 0.20 0.60 1.68 0.34 0.00 0.00 0.00 175.76 178.58 2k54 n PHE 37 N 0.48 2.51 -0.04 0.00 7.35 -1.06 -1.57 117.46 125.13 2k54 n PHE 37 Ca -0.12 0.11 -0.13 0.00 -0.76 0.00 0.00 57.45 56.54 2k54 n PHE 37 Cb 0.53 -2.63 -0.11 0.00 0.35 0.00 0.00 39.48 37.62 2k54 n PHE 37 CO 0.00 0.00 0.00 -1.00 -0.76 0.00 0.00 176.76 175.00 2k54 h PRO 38 N 6.77 -0.01 -0.98 -7.13 0.13 -1.99 -3.46 132.00 125.33 2k54 h PRO 38 Ca -0.45 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.64 2k54 h PRO 38 Cb 1.23 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.17 2k54 h PRO 38 CO 0.93 0.72 -0.43 0.00 -0.23 0.00 0.00 178.00 178.98 2k54 s ALA 39 N -3.24 -2.44 -0.21 -0.56 0.00 -0.63 -5.03 121.76 109.66 2k54 s ALA 39 Ca -0.17 0.38 -0.03 0.00 0.00 0.00 0.00 51.96 52.14 2k54 s ALA 39 Cb -0.01 -2.71 0.07 0.00 0.00 0.00 0.00 23.12 20.47 2k54 s ALA 39 CO 0.67 -2.16 0.07 0.99 0.00 0.00 0.00 175.76 175.32 2k54 s THR 40 N 2.01 0.29 -0.49 0.00 2.01 -0.61 -4.90 115.64 113.95 2k54 s THR 40 Ca 0.15 -0.54 -0.27 0.00 0.31 0.00 0.00 61.69 61.34 2k54 s THR 40 Cb -0.05 -0.94 -0.02 0.00 0.01 0.00 0.00 72.50 71.50 2k54 s THR 40 CO -0.10 -0.34 1.87 -0.22 -0.69 0.00 0.00 174.62 175.14 2k54 s LEU 41 N 1.95 3.39 0.05 4.42 0.20 -1.26 -1.14 118.68 126.29 2k54 s LEU 41 Ca 0.02 0.77 -0.08 0.00 0.69 0.00 0.00 54.13 55.54 2k54 s LEU 41 Cb -0.17 -2.92 -0.30 0.00 -0.43 0.00 0.00 46.19 42.37 2k54 s LEU 41 CO -0.13 -2.14 1.06 -0.07 -0.29 0.00 0.00 176.35 174.77 2k54 h LEU 42 N 15.54 0.55 -7.33 -0.68 3.38 -1.14 -3.47 115.31 122.15 2k54 h LEU 42 Ca -0.29 -0.60 -0.36 0.00 0.09 0.00 0.00 57.88 56.72 2k54 h LEU 42 Cb 1.17 -0.18 -0.38 0.00 0.09 0.00 0.00 40.66 41.36 2k54 h LEU 42 CO 1.14 1.48 -0.74 0.00 0.09 0.00 0.00 178.44 180.41 2k54 s ALA 43 N -2.63 0.20 -0.53 1.53 0.00 -1.13 -4.96 121.76 114.24 2k54 s ALA 43 Ca -0.06 0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.13 2k54 s ALA 43 Cb 0.06 -0.58 0.45 0.00 0.00 0.00 0.00 23.12 23.05 2k54 s ALA 43 CO 0.90 -0.45 1.72 0.41 0.00 0.00 0.00 175.76 178.34 2k54 n GLY 44 N 5.17 6.08 0.00 0.00 0.00 -1.26 -0.46 105.19 114.72 2k54 n GLY 44 Ca -0.06 -2.45 0.00 0.00 0.00 0.00 0.00 46.02 43.51 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 -0.84 0.00 -0.15 1.61 0.23 -0.06 -4.75 115.26 111.30 2k54 n ASN 45 Ca 0.56 0.00 -0.05 0.00 -0.53 0.00 0.00 54.58 54.55 2k54 n ASN 45 Cb 0.78 0.00 0.13 0.00 -2.08 0.00 0.00 39.78 38.60 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 1.05 -0.62 -2.53 0.00 -1.54 -3.18 119.26 112.44 2k54 h ALA 46 Ca 0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2k54 h ALA 46 Cb 0.00 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 2k54 h ALA 46 CO 0.00 0.60 0.34 0.00 0.00 0.00 0.00 179.25 180.19 2k54 h ALA 47 N 1.20 0.79 -0.00 0.00 0.00 -1.92 -0.40 119.26 118.93 2k54 h ALA 47 Ca 0.16 -0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.84 2k54 h ALA 47 Cb 0.45 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 2k54 h ALA 47 CO 0.02 0.30 -0.65 0.93 0.00 0.00 0.00 179.25 179.84 2k54 h GLU 48 N 0.84 0.00 -0.23 0.00 5.08 -1.96 -2.55 114.58 115.76 2k54 h GLU 48 Ca 0.22 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.54 2k54 h GLU 48 Cb 0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2k54 h GLU 48 CO -0.04 0.65 -0.02 0.82 -1.00 0.00 0.00 179.01 179.43 2k54 h ILE 49 N 0.00 1.26 0.35 3.13 2.04 -1.44 -3.19 117.51 119.66 2k54 h ILE 49 Ca -0.01 -0.94 -0.00 0.00 1.00 0.00 0.00 64.86 64.91 2k54 h ILE 49 Cb 1.16 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.64 2k54 h ILE 49 CO 0.09 0.29 -0.34 -0.09 0.00 0.00 0.00 178.15 178.09 2k54 h ARG 50 N 0.17 -0.69 -0.58 2.37 2.43 -0.90 -2.41 114.38 114.78 2k54 h ARG 50 Ca 0.06 0.05 -0.05 0.00 -0.81 0.00 0.00 59.98 59.23 2k54 h ARG 50 Cb 0.44 0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.12 2k54 h ARG 50 CO 0.01 -0.46 0.17 -0.39 -1.51 0.00 0.00 179.97 177.79 2k54 h VAL 51 N -0.71 1.23 -0.13 0.20 -1.51 -1.58 0.37 116.25 114.12 2k54 h VAL 51 Ca -0.02 -0.79 -0.15 0.00 -1.23 0.00 0.00 66.70 64.51 2k54 h VAL 51 Cb 0.64 0.60 -0.01 0.00 -2.13 0.00 0.00 31.29 30.40 2k54 h VAL 51 CO -0.06 0.30 -0.56 -0.09 -1.23 0.00 0.00 177.57 175.92 2k54 h ARG 52 N 0.85 0.40 0.00 5.19 2.43 -1.53 -2.74 114.38 118.97 2k54 h ARG 52 Ca 0.19 -0.26 -0.12 0.00 -0.81 0.00 0.00 59.98 58.98 2k54 h ARG 52 Cb 0.26 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 2k54 h ARG 52 CO -0.01 0.86 -0.57 0.45 -1.51 0.00 0.00 179.97 179.18 2k54 h HIS 53 N 0.31 0.00 -0.23 2.20 3.86 -0.90 -2.53 115.15 117.85 2k54 h HIS 53 Ca 0.00 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.22 2k54 h HIS 53 Cb 1.08 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.54 2k54 h HIS 53 CO 0.03 0.57 0.14 0.82 0.86 0.00 0.00 177.93 180.36 2k54 h ILE 54 N 0.00 1.04 -0.79 2.45 2.04 -0.72 0.79 117.51 122.32 2k54 h ILE 54 Ca -0.01 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.78 2k54 h ILE 54 Cb 1.27 0.72 -0.05 0.00 -0.74 0.00 0.00 36.82 38.02 2k54 h ILE 54 CO 0.07 0.05 0.51 -0.33 0.00 0.00 0.00 178.15 178.46 2k54 h GLU 55 N 0.29 0.98 -0.16 2.37 5.08 -1.47 -1.79 114.58 119.88 2k54 h GLU 55 Ca 0.09 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 2k54 h GLU 55 Cb -0.02 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 2k54 h GLU 55 CO -0.03 0.65 -0.24 -0.09 -1.00 0.00 0.00 179.01 178.29 2k54 h ARG 56 N 1.01 0.29 0.00 2.33 9.65 -1.14 -2.65 114.38 123.87 2k54 h ARG 56 Ca 0.31 -0.10 0.00 0.00 -1.10 0.00 0.00 59.98 59.09 2k54 h ARG 56 Cb -0.03 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 28.53 2k54 h ARG 56 CO -0.10 0.52 -0.14 1.19 2.80 0.00 0.00 179.97 184.25 2k54 n PHE 57 N -4.16 0.58 0.14 2.20 3.01 0.25 -2.78 117.46 116.71 2k54 n PHE 57 Ca -0.01 0.17 0.00 0.00 1.01 0.00 0.00 57.45 58.62 2k54 n PHE 57 Cb 0.36 -0.74 0.19 0.00 -0.01 0.00 0.00 39.48 39.28 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 0.00 -6.24 -1.08 1.79 -0.97 -3.44 116.57 106.63 2k54 h LYS 58 Ca 0.00 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 57.91 2k54 h LYS 58 Cb 0.67 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.31 2k54 h LYS 58 CO 0.00 0.58 1.22 -2.00 -1.08 0.00 0.00 179.45 178.17 2k54 s GLU 59 N -3.52 3.76 0.45 3.15 2.12 -1.12 -4.91 118.70 118.63 2k54 s GLU 59 Ca -0.01 1.98 0.25 0.00 0.36 0.00 0.00 54.97 57.55 2k54 s GLU 59 Cb 0.12 -4.13 0.86 0.00 0.26 0.00 0.00 34.13 31.24 2k54 s GLU 59 CO 0.75 -1.36 1.79 -1.00 -0.54 0.00 0.00 175.26 174.90 2k54 h PRO 60 N 11.50 0.00 0.00 4.30 0.13 -1.88 -3.08 132.00 142.98 2k54 h PRO 60 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2k54 h PRO 60 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2k54 h PRO 60 CO 0.98 0.18 -0.05 -0.25 -0.23 0.00 0.00 178.00 178.63 2k54 n ASP 61 N -3.28 0.38 -4.64 1.44 9.92 -1.26 -4.80 116.55 114.31 2k54 n ASP 61 Ca 0.01 0.48 -0.42 0.00 -0.53 0.00 0.00 54.79 54.32 2k54 n ASP 61 Cb 0.45 -0.55 -0.03 0.00 -0.64 0.00 0.00 41.12 40.35 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 -3.66 4.15 -0.19 0.64 2.96 -1.17 -4.43 118.68 116.99 2k54 s LEU 62 Ca 0.12 2.46 -0.05 0.00 -0.22 0.00 0.00 54.13 56.44 2k54 s LEU 62 Cb 0.16 -3.52 0.09 0.00 0.50 0.00 0.00 46.19 43.42 2k54 s LEU 62 CO 0.57 -1.32 0.35 -0.47 -1.32 0.00 0.00 176.35 174.16 2k54 s TYR 63 N 5.58 -0.65 -0.53 5.38 5.04 -1.25 -4.95 117.35 125.96 2k54 s TYR 63 Ca 0.92 1.11 -0.18 0.00 -2.44 0.00 0.00 57.07 56.49 2k54 s TYR 63 Cb -0.40 0.09 0.08 0.00 0.35 0.00 0.00 41.96 42.08 2k54 s TYR 63 CO 0.40 -0.50 0.61 0.20 -1.34 0.00 0.00 175.55 174.92 2k54 s GLY 64 N 2.52 1.84 -0.56 8.97 0.00 -1.26 -1.37 107.32 117.45 2k54 s GLY 64 Ca 0.03 -2.03 -0.19 0.00 0.00 0.00 0.00 44.72 42.53 2k54 s GLY 64 CO -0.12 1.43 0.68 1.85 0.00 0.00 0.00 173.10 176.94 2k54 s GLU 65 N 2.42 3.07 -0.12 2.90 2.12 -1.04 -4.95 118.70 123.10 2k54 s GLU 65 Ca 0.11 -1.16 -0.27 0.00 0.36 0.00 0.00 54.97 54.02 2k54 s GLU 65 Cb -0.23 -4.20 -0.02 0.00 0.26 0.00 0.00 34.13 29.94 2k54 s GLU 65 CO 0.08 -1.43 0.89 -1.17 -0.54 0.00 0.00 175.26 173.09 2k54 s LEU 66 N 2.68 4.23 -0.03 2.70 0.20 -1.26 -0.78 118.68 126.41 2k54 s LEU 66 Ca 0.13 1.33 0.03 0.00 0.69 0.00 0.00 54.13 56.31 2k54 s LEU 66 Cb -0.22 -3.35 -0.04 0.00 -0.43 0.00 0.00 46.19 42.14 2k54 s LEU 66 CO 0.08 -0.37 0.01 0.00 -0.29 0.00 0.00 176.35 175.78 2k54 n LEU 67 N 4.90 0.00 -3.76 -0.68 -0.00 -1.19 -5.01 117.00 111.27 2k54 n LEU 67 Ca 0.05 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.94 2k54 n LEU 67 Cb 0.49 0.09 -0.13 0.00 -0.00 0.00 0.00 43.42 43.86 2k54 n LEU 67 CO 0.50 0.09 -0.17 -0.89 -0.00 0.00 0.00 177.39 176.91 2k54 s THR 68 N -2.08 -0.03 -0.04 1.47 2.01 -1.21 -5.10 115.64 110.66 2k54 s THR 68 Ca -0.02 0.11 -0.03 0.00 0.31 0.00 0.00 61.69 62.06 2k54 s THR 68 Cb 0.01 -0.29 0.01 0.00 0.01 0.00 0.00 72.50 72.25 2k54 s THR 68 CO 0.14 0.04 0.11 0.00 -0.69 0.00 0.00 174.62 174.22 2k54 s ARG 69 N 0.81 0.11 0.16 4.92 1.70 -1.26 -1.13 118.95 124.26 2k54 s ARG 69 Ca -0.06 0.18 0.06 0.00 -0.47 0.00 0.00 55.73 55.44 2k54 s ARG 69 Cb -0.08 0.02 -0.04 0.00 -0.57 0.00 0.00 34.95 34.28 2k54 s ARG 69 CO -0.05 -0.04 -0.13 0.14 -1.08 0.00 0.00 175.30 174.14 2k54 s VAL 70 N 0.24 1.47 0.01 4.99 -7.23 -0.26 -5.02 120.40 114.61 2k54 s VAL 70 Ca -0.02 -2.02 0.04 0.00 -1.81 0.00 0.00 61.98 58.18 2k54 s VAL 70 Cb -0.03 -1.84 -0.02 0.00 0.56 0.00 0.00 36.38 35.06 2k54 s VAL 70 CO -0.01 -0.58 -0.14 -0.51 -0.31 0.00 0.00 175.10 173.56 2k54 s ILE 71 N -2.81 1.09 -0.33 -0.62 2.07 -1.26 -0.55 121.20 118.79 2k54 s ILE 71 Ca 0.17 -0.77 -0.01 0.00 -1.41 0.00 0.00 60.65 58.63 2k54 s ILE 71 Cb -0.01 -0.95 0.12 0.00 0.13 0.00 0.00 42.46 41.75 2k54 s ILE 71 CO 0.04 0.17 0.16 0.54 -1.91 0.00 0.00 174.94 173.94 2k54 s VAL 72 N -0.55 0.36 0.00 4.00 0.11 -0.54 -5.00 120.40 118.78 2k54 s VAL 72 Ca 0.04 -1.38 0.00 0.00 -2.93 0.00 0.00 61.98 57.70 2k54 s VAL 72 Cb -0.06 -1.28 0.00 0.00 -1.53 0.00 0.00 36.38 33.51 2k54 s VAL 72 CO 0.00 -0.82 0.00 0.61 -3.33 0.00 0.00 175.10 171.57 2k54 n GLY 73 N 4.61 3.23 1.47 6.54 0.00 -1.26 -2.96 105.19 116.81 2k54 n GLY 73 Ca 0.02 -0.18 0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 8.96 4.34 -3.92 1.61 6.94 -1.26 -4.89 115.26 127.04 2k54 n ASN 74 Ca 0.00 -2.41 -0.17 0.00 -0.02 0.00 0.00 54.58 51.98 2k54 n ASN 74 Cb 0.00 -0.55 -0.15 0.00 -2.36 0.00 0.00 39.78 36.72 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 -1.84 0.40 -0.02 3.53 0.11 -1.16 -0.66 120.40 120.76 2k54 s VAL 75 Ca 0.46 -0.14 0.04 0.00 -2.93 0.00 0.00 61.98 59.41 2k54 s VAL 75 Cb 0.30 -0.39 -0.03 0.00 -1.53 0.00 0.00 36.38 34.73 2k54 s VAL 75 CO 0.22 0.15 -0.14 -0.69 -3.33 0.00 0.00 175.10 171.31 2k54 s VAL 76 N 0.35 3.10 -0.35 2.04 1.01 -0.68 -1.46 120.40 124.41 2k54 s VAL 76 Ca -0.04 -0.84 -0.13 0.00 0.00 0.00 0.00 61.98 60.97 2k54 s VAL 76 Cb -0.07 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 34.03 2k54 s VAL 76 CO -0.00 0.50 0.26 -0.63 0.00 0.00 0.00 175.10 175.23 2k54 s ILE 77 N -0.82 5.27 -0.36 2.22 -1.09 0.28 -2.03 121.20 124.67 2k54 s ILE 77 Ca 0.13 -0.24 -0.04 0.00 -2.23 0.00 0.00 60.65 58.28 2k54 s ILE 77 Cb -0.11 -3.75 0.07 0.00 -1.58 0.00 0.00 42.46 37.09 2k54 s ILE 77 CO 0.03 -0.05 0.12 -1.81 -1.23 0.00 0.00 174.94 171.99 2k54 s ASP 78 N 1.72 5.19 -0.46 3.58 1.11 -0.60 -1.10 116.67 126.11 2k54 s ASP 78 Ca 0.07 -1.53 -0.17 0.00 0.18 0.00 0.00 52.55 51.10 2k54 s ASP 78 Cb -0.17 -1.81 0.05 0.00 1.07 0.00 0.00 42.92 42.05 2k54 s ASP 78 CO 0.11 -0.40 0.45 -2.28 1.18 0.00 0.00 175.17 174.23 2k54 s HIS 79 N 1.27 3.17 0.02 4.23 2.46 -0.29 -0.87 115.29 125.28 2k54 s HIS 79 Ca 0.01 -0.64 0.05 0.00 0.47 0.00 0.00 55.06 54.95 2k54 s HIS 79 Cb -0.21 -3.12 -0.03 0.00 -0.13 0.00 0.00 32.58 29.09 2k54 s HIS 79 CO -0.01 -0.81 -0.11 -1.21 -2.47 0.00 0.00 174.74 170.14 2k54 s GLU 80 N 2.03 2.38 -0.59 2.88 2.02 -0.63 -3.15 118.70 123.66 2k54 s GLU 80 Ca 0.09 -0.82 -0.21 0.00 0.02 0.00 0.00 54.97 54.06 2k54 s GLU 80 Cb -0.20 -2.39 0.07 0.00 0.10 0.00 0.00 34.13 31.71 2k54 s GLU 80 CO 0.10 0.58 0.79 0.99 0.02 0.00 0.00 175.26 177.75 2k54 s THR 81 N -0.97 4.63 -0.08 3.63 2.01 0.04 -1.31 115.64 123.58 2k54 s THR 81 Ca 0.16 -0.52 -0.17 0.00 0.31 0.00 0.00 61.69 61.48 2k54 s THR 81 Cb -0.11 -4.51 -0.05 0.00 0.01 0.00 0.00 72.50 67.84 2k54 s THR 81 CO 0.07 -1.15 0.43 0.68 -0.69 0.00 0.00 174.62 173.96 2k54 s VAL 82 N 3.25 5.14 -0.22 3.82 -7.23 -0.32 -2.49 120.40 122.35 2k54 s VAL 82 Ca 0.18 0.87 -0.28 0.00 -1.81 0.00 0.00 61.98 60.94 2k54 s VAL 82 Cb -0.19 -3.76 0.00 0.00 0.56 0.00 0.00 36.38 32.99 2k54 s VAL 82 CO 0.10 0.42 0.98 -0.89 -0.31 0.00 0.00 175.10 175.40 2k54 s THR 83 N 0.03 4.73 0.00 5.32 2.01 -0.47 -1.20 115.64 126.07 2k54 s THR 83 Ca 0.24 1.91 0.00 0.00 0.31 0.00 0.00 61.69 64.15 2k54 s THR 83 Cb -0.15 -4.26 0.00 0.00 0.01 0.00 0.00 72.50 68.10 2k54 s THR 83 CO 0.11 -0.13 0.00 0.54 -0.69 0.00 0.00 174.62 174.45 2k54 n ARG 84 N 6.07 3.37 -3.94 4.92 1.74 -0.17 -3.91 116.66 124.73 2k54 n ARG 84 Ca 0.10 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.87 2k54 n ARG 84 Cb 0.47 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.75 2k54 n ARG 84 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2k54 s ASN 85 N 0.34 3.99 0.01 0.55 0.02 -1.25 -3.85 114.94 114.75 2k54 s ASN 85 Ca 0.00 -1.31 0.03 0.00 -1.02 0.00 0.00 52.86 50.56 2k54 s ASN 85 Cb 0.00 -1.23 -0.04 0.00 0.02 0.00 0.00 41.25 40.01 2k54 s ASN 85 CO 0.00 -0.25 -0.04 -0.36 0.02 0.00 0.00 177.10 176.46 2k54 s PHE 86 N 1.34 2.94 0.36 2.20 0.40 -1.05 -4.91 117.98 119.27 2k54 s PHE 86 Ca -0.04 -0.01 0.38 0.00 -0.60 0.00 0.00 56.93 56.67 2k54 s PHE 86 Cb -0.19 -1.61 1.95 0.00 0.51 0.00 0.00 43.02 43.68 2k54 s PHE 86 CO -0.07 0.41 2.16 -1.00 0.70 0.00 0.00 175.22 177.41 2k54 h PRO 87 N 4.35 0.00 0.00 0.24 0.13 -2.00 -2.36 132.00 132.36 2k54 h PRO 87 Ca -0.49 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2k54 h PRO 87 Cb 1.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 2k54 h PRO 87 CO 0.55 0.00 -0.00 1.05 -0.23 0.00 0.00 178.00 179.37 2k54 h GLU 88 N 0.00 0.00 0.00 0.86 9.09 -2.02 -3.49 114.58 119.01 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 0.14 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.24 2k54 h GLU 88 CO 0.00 0.00 0.00 0.41 0.05 0.00 0.00 179.01 179.47 2k54 n GLY 89 N 1.05 -0.80 0.00 1.06 0.00 -0.89 -5.06 105.19 100.56 2k54 n GLY 89 Ca 0.04 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 -4.12 118.16 117.38 2k54 n LYS 90 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2k54 n LYS 90 Cb 0.00 -0.82 0.00 0.00 0.00 0.00 0.00 35.03 34.21 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 -0.03 1.94 3.79 3.14 0.00 -1.25 -2.52 105.19 110.26 2k54 n GLY 91 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.09 4.36 0.00 1.61 -1.05 -1.12 -1.00 118.70 121.42 2k54 s GLU 92 Ca 0.00 0.90 0.01 0.00 -0.15 0.00 0.00 54.97 55.73 2k54 s GLU 92 Cb 0.00 -3.27 -0.00 0.00 -0.44 0.00 0.00 34.13 30.41 2k54 s GLU 92 CO 0.00 0.55 -0.04 0.14 0.95 0.00 0.00 175.26 176.86 2k54 s VAL 93 N -0.90 0.31 -0.35 1.83 -7.23 -0.34 -0.97 120.40 112.75 2k54 s VAL 93 Ca 0.32 -0.24 -0.29 0.00 -1.81 0.00 0.00 61.98 59.96 2k54 s VAL 93 Cb -0.21 -0.28 0.01 0.00 0.56 0.00 0.00 36.38 36.46 2k54 s VAL 93 CO 0.21 0.04 1.34 -1.81 -0.31 0.00 0.00 175.10 174.57 2k54 s ASP 94 N -0.23 6.53 -0.04 4.85 1.01 -1.15 -1.17 116.67 126.47 2k54 s ASP 94 Ca 0.00 1.02 0.03 0.00 0.71 0.00 0.00 52.55 54.32 2k54 s ASP 94 Cb -0.02 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.37 2k54 s ASP 94 CO -0.00 -1.23 -0.12 -0.69 0.21 0.00 0.00 175.17 173.33 2k54 s VAL 95 N 4.82 1.09 -0.40 -1.27 1.01 -0.43 -0.11 120.40 125.11 2k54 s VAL 95 Ca 0.58 -0.50 -0.15 0.00 0.00 0.00 0.00 61.98 61.91 2k54 s VAL 95 Cb -0.15 -0.97 0.01 0.00 0.00 0.00 0.00 36.38 35.27 2k54 s VAL 95 CO 0.27 0.33 0.30 0.00 0.00 0.00 0.00 175.10 176.00 2k54 s ALA 96 N 0.32 3.48 -0.47 5.51 0.00 -0.46 -1.60 121.76 128.54 2k54 s ALA 96 Ca -0.07 -1.63 -0.19 0.00 0.00 0.00 0.00 51.96 50.06 2k54 s ALA 96 Cb -0.12 -2.86 0.04 0.00 0.00 0.00 0.00 23.12 20.19 2k54 s ALA 96 CO 0.02 -1.37 0.59 0.00 0.00 0.00 0.00 175.76 175.01 2k54 s ILE 98 N 2.59 3.28 -0.17 0.00 2.07 -0.31 -1.55 121.20 127.11 2k54 s ILE 98 Ca 0.16 -1.45 -0.03 0.00 -1.41 0.00 0.00 60.65 57.92 2k54 s ILE 98 Cb -0.17 -2.95 -0.02 0.00 0.13 0.00 0.00 42.46 39.44 2k54 s ILE 98 CO 0.14 -0.25 -0.04 -0.31 -1.91 0.00 0.00 174.94 172.57 2k54 s TYR 99 N 1.27 2.99 -0.37 3.50 2.02 -0.86 -1.24 117.35 124.66 2k54 s TYR 99 Ca -0.02 -0.44 -0.14 0.00 -0.37 0.00 0.00 57.07 56.10 2k54 s TYR 99 Cb -0.20 -1.98 0.00 0.00 -0.40 0.00 0.00 41.96 39.38 2k54 s TYR 99 CO -0.01 -0.15 0.30 -2.00 -1.57 0.00 0.00 175.55 172.12 2k54 s GLU 100 N 0.60 3.27 -0.37 -0.62 2.12 -0.07 -1.68 118.70 121.94 2k54 s GLU 100 Ca -0.03 -0.76 -0.16 0.00 0.36 0.00 0.00 54.97 54.37 2k54 s GLU 100 Cb -0.14 -3.89 0.00 0.00 0.26 0.00 0.00 34.13 30.36 2k54 s GLU 100 CO 0.03 -0.61 0.39 0.08 -0.54 0.00 0.00 175.26 174.61 2k54 s VAL 101 N 1.79 5.14 -0.16 3.70 1.01 0.16 -1.26 120.40 130.79 2k54 s VAL 101 Ca 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 61.98 61.92 2k54 s VAL 101 Cb -0.18 -3.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.28 2k54 s VAL 101 CO 0.11 -0.23 -0.11 -0.70 0.00 0.00 0.00 175.10 174.17 2k54 s GLU 102 N 2.06 3.38 -1.39 2.72 2.12 0.53 -4.67 118.70 123.45 2k54 s GLU 102 Ca 0.12 -0.67 -0.03 0.00 0.36 0.00 0.00 54.97 54.75 2k54 s GLU 102 Cb -0.17 -2.74 0.00 0.00 0.26 0.00 0.00 34.13 31.48 2k54 s GLU 102 CO 0.12 0.09 0.37 0.09 -0.54 0.00 0.00 175.26 175.39 2k54 n ASN 103 N 3.91 -5.39 0.00 -1.70 3.02 -1.26 -2.34 115.26 111.50 2k54 n ASN 103 Ca -0.18 -0.18 0.00 0.00 -0.03 0.00 0.00 54.58 54.19 2k54 n ASN 103 Cb 0.52 -4.30 0.00 0.00 -0.61 0.00 0.00 39.78 35.39 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 -1.30 0.64 3.04 7.41 0.00 -1.26 -5.03 105.19 108.69 2k54 n GLY 104 Ca -0.13 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.01 0.65 -0.52 1.61 1.81 -0.99 -4.95 118.95 116.55 2k54 s ARG 105 Ca 0.00 -0.49 -0.27 0.00 -1.72 0.00 0.00 55.73 53.25 2k54 s ARG 105 Cb 0.00 -0.58 -0.03 0.00 -0.45 0.00 0.00 34.95 33.89 2k54 s ARG 105 CO 0.00 0.15 1.92 0.42 -0.68 0.00 0.00 175.30 177.11 2k54 s ILE 106 N -0.62 3.34 -0.23 1.52 1.01 -0.66 -0.35 121.20 125.21 2k54 s ILE 106 Ca -0.01 0.25 0.19 0.00 0.00 0.00 0.00 60.65 61.08 2k54 s ILE 106 Cb -0.06 -3.73 0.08 0.00 0.01 0.00 0.00 42.46 38.76 2k54 s ILE 106 CO 0.00 -0.65 1.28 0.00 0.00 0.00 0.00 174.94 175.57 2k54 h ALA 107 N 15.04 0.71 -2.67 9.38 0.00 -1.43 -1.11 119.26 139.18 2k54 h ALA 107 Ca -0.28 -0.34 -0.13 0.00 0.00 0.00 0.00 54.91 54.16 2k54 h ALA 107 Cb 1.18 0.03 -0.22 0.00 0.00 0.00 0.00 17.79 18.78 2k54 h ALA 107 CO 1.16 0.42 -0.30 0.15 0.00 0.00 0.00 179.25 180.68 2k54 s LYS 108 N -3.09 0.56 -0.05 0.00 1.02 -0.90 -1.37 119.74 115.92 2k54 s LYS 108 Ca 0.02 0.03 -0.03 0.00 0.02 0.00 0.00 55.97 56.02 2k54 s LYS 108 Cb 0.08 0.26 0.03 0.00 -0.52 0.00 0.00 37.83 37.67 2k54 s LYS 108 CO 0.75 -0.13 0.12 0.00 -0.92 0.00 0.00 175.35 175.16 2k54 s ALA 109 N -0.80 -0.21 0.10 5.17 0.00 -0.10 -0.89 121.76 125.03 2k54 s ALA 109 Ca -0.09 0.51 0.02 0.00 0.00 0.00 0.00 51.96 52.40 2k54 s ALA 109 Cb -0.04 -0.34 -0.04 0.00 0.00 0.00 0.00 23.12 22.70 2k54 s ALA 109 CO 0.03 -0.12 -0.07 -1.58 0.00 0.00 0.00 175.76 174.02 2k54 s TRP 110 N 0.82 0.89 -0.01 0.00 0.51 -0.37 -1.96 118.94 118.82 2k54 s TRP 110 Ca -0.06 -0.89 -0.04 0.00 -2.12 0.00 0.00 56.10 52.99 2k54 s TRP 110 Cb -0.08 -0.51 0.00 0.00 -0.81 0.00 0.00 33.47 32.06 2k54 s TRP 110 CO -0.04 -0.14 0.08 -0.59 -0.51 0.00 0.00 176.95 175.76 2k54 s PHE 111 N -3.50 0.03 -0.11 -1.98 -0.71 -1.23 -1.16 117.98 109.31 2k54 s PHE 111 Ca 0.11 -0.05 0.01 0.00 -1.04 0.00 0.00 56.93 55.96 2k54 s PHE 111 Cb 0.04 -0.04 0.02 0.00 -1.21 0.00 0.00 43.02 41.83 2k54 s PHE 111 CO -0.04 -0.16 -0.12 -1.59 -1.34 0.00 0.00 175.22 171.96 2k54 s LYS 112 N -0.77 1.96 -0.33 1.99 -2.85 -0.72 -2.57 119.74 116.45 2k54 s LYS 112 Ca -0.09 -0.45 -0.21 0.00 -1.00 0.00 0.00 55.97 54.22 2k54 s LYS 112 Cb -0.05 -1.77 -0.00 0.00 -2.06 0.00 0.00 37.83 33.95 2k54 s LYS 112 CO 0.00 -0.14 0.68 0.42 0.10 0.00 0.00 175.35 176.42 2k54 s ILE 113 N 1.24 4.87 0.00 3.79 1.01 -1.26 -1.35 121.20 129.49 2k54 s ILE 113 Ca -0.02 0.85 0.00 0.00 0.00 0.00 0.00 60.65 61.47 2k54 s ILE 113 Cb -0.14 -4.08 0.00 0.00 0.01 0.00 0.00 42.46 38.25 2k54 s ILE 113 CO -0.04 -0.25 0.35 0.61 0.00 0.00 0.00 174.94 175.60 2k54 n GLY 114 N 4.47 -1.06 3.48 6.18 0.00 0.84 -5.00 105.19 114.09 2k54 n GLY 114 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.51 1.33 0.19 1.61 -1.05 -1.22 -5.02 118.70 113.02 2k54 s GLU 115 Ca 0.00 -0.73 -0.30 0.00 -0.15 0.00 0.00 54.97 53.80 2k54 s GLU 115 Cb 0.00 0.54 -0.08 0.00 -0.44 0.00 0.00 34.13 34.15 2k54 s GLU 115 CO 0.00 -0.57 1.03 -1.25 0.95 0.00 0.00 175.26 175.43 2k54 s PRO 116 N -3.83 4.68 0.11 -4.83 0.04 -1.26 -2.91 135.00 127.01 2k54 s PRO 116 Ca 0.06 1.62 0.06 0.00 0.04 0.00 0.00 61.00 62.77 2k54 s PRO 116 Cb -0.01 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 2k54 s PRO 116 CO -0.07 0.22 -0.15 1.03 0.04 0.00 0.00 177.00 178.08 2k54 s ARG 117 N -0.60 1.00 0.03 4.56 1.81 -0.14 -4.96 118.95 120.64 2k54 s ARG 117 Ca 0.46 -1.19 0.00 0.00 -1.72 0.00 0.00 55.73 53.29 2k54 s ARG 117 Cb -0.28 -0.93 -0.02 0.00 -0.45 0.00 0.00 34.95 33.27 2k54 s ARG 117 CO 0.34 0.19 -0.04 0.42 -0.68 0.00 0.00 175.30 175.52 2k54 s ILE 118 N -1.93 0.24 0.18 1.52 -1.09 -1.26 -2.79 121.20 116.07 2k54 s ILE 118 Ca 0.07 -1.09 -0.13 0.00 -2.23 0.00 0.00 60.65 57.27 2k54 s ILE 118 Cb -0.06 -0.53 0.08 0.00 -1.58 0.00 0.00 42.46 40.36 2k54 s ILE 118 CO 0.03 -0.55 1.78 0.58 -1.23 0.00 0.00 174.94 175.55 2k54 h VAL 119 N 4.38 0.94 0.00 2.92 2.07 -1.97 -2.49 116.25 122.10 2k54 h VAL 119 Ca -0.33 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.03 2k54 h VAL 119 Cb 1.20 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2k54 h VAL 119 CO 0.45 0.09 0.00 -0.24 0.02 0.00 0.00 177.57 177.88 2k54 n SER 120 N -4.91 0.24 -0.03 0.57 2.88 -1.26 -4.16 113.62 106.95 2k54 n SER 120 Ca 0.04 0.53 -0.09 0.00 -1.33 0.00 0.00 58.87 58.02 2k54 n SER 120 Cb 0.14 -0.59 -0.02 0.00 -0.75 0.00 0.00 64.21 62.99 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 -0.25 -5.83 -1.46 4.15 -1.85 -3.26 115.11 106.60 2k54 h GLN 121 Ca 0.00 0.02 -0.59 0.00 0.77 0.00 0.00 58.65 58.85 2k54 h GLN 121 Cb 0.53 0.06 -0.12 0.00 0.21 0.00 0.00 27.48 28.16 2k54 h GLN 121 CO 0.00 -0.17 0.75 0.21 -1.93 0.00 0.00 178.83 177.69 2k54 s LYS 122 N -6.08 3.15 0.00 1.69 2.36 -1.26 -5.06 119.74 114.54 2k54 s LYS 122 Ca -0.15 -0.57 0.26 0.00 -2.55 0.00 0.00 55.97 52.97 2k54 s LYS 122 Cb 0.12 -4.20 0.64 0.00 -1.05 0.00 0.00 37.83 33.33 2k54 s LYS 122 CO 0.68 -1.94 1.51 0.45 1.55 0.00 0.00 175.35 177.60