#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 0.95 -0.01 3.17 5.03 -1.26 -4.91 115.26 118.23 2k54 n ASN 2 Ca 0.00 -2.43 -0.11 0.00 0.87 0.00 0.00 54.58 52.91 2k54 n ASN 2 Cb 0.00 -0.32 -0.06 0.00 -1.02 0.00 0.00 39.78 38.39 2k54 n ASN 2 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.26 175.71 2k54 h SER 3 N 0.53 0.13 0.28 6.41 0.02 -1.99 -2.09 113.55 116.83 2k54 h SER 3 Ca -0.09 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 2k54 h SER 3 Cb 1.48 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.99 2k54 h SER 3 CO 0.04 0.18 0.00 -1.84 -1.14 0.00 0.00 176.83 174.07 2k54 n GLU 4 N -4.97 0.09 -0.05 3.45 0.00 -1.26 -1.13 120.64 116.77 2k54 n GLU 4 Ca -0.05 0.24 -0.11 0.00 0.00 0.00 0.00 57.16 57.24 2k54 n GLU 4 Cb 0.07 -1.50 -0.15 0.00 0.00 0.00 0.00 31.44 29.87 2k54 n GLU 4 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 2k54 n ILE 5 N -1.38 1.54 0.07 3.84 2.08 -0.83 -4.37 119.36 120.31 2k54 n ILE 5 Ca 0.04 -0.80 -0.12 0.00 0.56 0.00 0.00 62.75 62.43 2k54 n ILE 5 Cb 0.10 -0.90 -0.13 0.00 -0.75 0.00 0.00 39.64 37.96 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 0.01 0.15 -0.30 0.38 5.08 -0.78 -3.35 114.58 115.77 2k54 h GLU 6 Ca -0.41 -0.25 0.02 0.00 -1.00 0.00 0.00 59.36 57.72 2k54 h GLU 6 Cb 2.10 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 31.42 2k54 h GLU 6 CO 0.05 1.07 0.14 -0.07 -1.00 0.00 0.00 179.01 179.21 2k54 h LEU 7 N 0.04 0.20 0.44 1.33 3.38 -1.33 -1.20 115.31 118.18 2k54 h LEU 7 Ca -0.11 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2k54 h LEU 7 Cb 1.90 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.62 2k54 h LEU 7 CO 0.16 0.15 -0.35 1.55 0.09 0.00 0.00 178.44 180.04 2k54 h PRO 8 N 0.30 -0.74 0.00 1.13 0.13 -1.77 -2.92 132.00 128.12 2k54 h PRO 8 Ca 0.12 0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 65.29 2k54 h PRO 8 Cb 0.05 0.17 -0.00 0.00 0.13 0.00 0.00 31.00 31.35 2k54 h PRO 8 CO -0.09 -0.49 -0.09 -0.39 -0.23 0.00 0.00 178.00 176.71 2k54 h VAL 9 N -0.77 0.77 0.19 1.56 -1.51 -1.67 -1.13 116.25 113.69 2k54 h VAL 9 Ca -0.06 -0.33 -0.01 0.00 -1.23 0.00 0.00 66.70 65.08 2k54 h VAL 9 Cb 0.64 1.19 0.00 0.00 -2.13 0.00 0.00 31.29 31.00 2k54 h VAL 9 CO 0.01 0.08 -0.09 -0.61 -1.23 0.00 0.00 177.57 175.73 2k54 h GLN 10 N 0.00 -0.24 0.00 5.19 -0.00 -1.29 -2.82 115.11 115.95 2k54 h GLN 10 Ca -0.00 0.02 -0.09 0.00 -0.00 0.00 0.00 58.65 58.57 2k54 h GLN 10 Cb 0.19 0.05 -0.01 0.00 0.00 0.00 0.00 27.48 27.71 2k54 h GLN 10 CO 0.01 0.15 -0.43 0.87 0.00 0.00 0.00 178.83 179.42 2k54 h LYS 11 N -0.91 0.00 -0.05 1.69 1.79 -1.23 -2.68 116.57 115.18 2k54 h LYS 11 Ca -0.03 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.23 2k54 h LYS 11 Cb 0.50 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.15 2k54 h LYS 11 CO 0.04 0.43 -0.87 1.96 -1.08 0.00 0.00 179.45 179.93 2k54 h GLN 12 N 0.00 0.52 -0.12 3.15 4.20 -1.35 -1.60 115.11 119.91 2k54 h GLN 12 Ca -0.00 -0.49 0.00 0.00 0.06 0.00 0.00 58.65 58.21 2k54 h GLN 12 Cb 0.77 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.67 2k54 h GLN 12 CO 0.06 1.12 0.08 1.25 -0.67 0.00 0.00 178.83 180.67 2k54 h LEU 13 N 0.32 0.14 -0.53 1.46 7.12 -1.25 0.24 115.31 122.80 2k54 h LEU 13 Ca -0.07 -0.03 0.04 0.00 0.13 0.00 0.00 57.88 57.95 2k54 h LEU 13 Cb 1.49 -0.04 -0.04 0.00 -0.53 0.00 0.00 40.66 41.54 2k54 h LEU 13 CO 0.16 0.13 0.29 -0.33 -0.13 0.00 0.00 178.44 178.56 2k54 h GLU 14 N 0.14 0.56 0.00 1.25 4.39 -1.48 -1.59 114.58 117.85 2k54 h GLU 14 Ca 0.04 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.68 2k54 h GLU 14 Cb 0.01 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.53 2k54 h GLU 14 CO -0.01 0.37 -0.16 0.00 -1.16 0.00 0.00 179.01 178.05 2k54 h ALA 15 N 1.26 1.21 -0.49 3.43 0.00 -1.02 -0.77 119.26 122.89 2k54 h ALA 15 Ca 0.22 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 2k54 h ALA 15 Cb 0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2k54 h ALA 15 CO -0.13 0.20 -0.15 -0.92 0.00 0.00 0.00 179.25 178.25 2k54 h TYR 16 N 0.00 1.10 0.00 0.00 3.20 0.51 0.83 116.97 122.60 2k54 h TYR 16 Ca -0.00 -0.25 -0.17 0.00 3.14 0.00 0.00 58.73 61.45 2k54 h TYR 16 Cb 0.46 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 2k54 h TYR 16 CO 0.00 1.05 -1.54 0.27 -1.64 0.00 0.00 178.16 176.30 2k54 n ASN 17 N -4.17 0.72 -0.05 -2.11 0.23 -1.19 -4.02 115.26 104.67 2k54 n ASN 17 Ca 0.00 0.32 0.14 0.00 -0.53 0.00 0.00 54.58 54.51 2k54 n ASN 17 Cb 0.42 0.36 0.62 0.00 -2.08 0.00 0.00 39.78 39.10 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 -2.42 2.68 -1.16 -2.53 0.00 -0.30 -4.93 120.51 111.85 2k54 n ALA 18 Ca -0.11 -0.21 -0.05 0.00 0.00 0.00 0.00 53.44 53.06 2k54 n ALA 18 Cb 0.85 -1.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.89 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 -1.19 -0.92 -2.70 0.00 5.12 0.23 -4.95 116.66 112.24 2k54 n ARG 19 Ca 0.12 0.57 -0.42 0.00 -1.93 0.00 0.00 57.85 56.19 2k54 n ARG 19 Cb 0.28 -4.45 -0.03 0.00 -1.16 0.00 0.00 32.46 27.10 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 -2.43 6.35 0.43 0.55 1.01 -0.84 -4.85 116.67 116.89 2k54 s ASP 20 Ca 0.00 -1.17 0.14 0.00 0.71 0.00 0.00 52.55 52.24 2k54 s ASP 20 Cb 0.00 -2.50 0.94 0.00 1.01 0.00 0.00 42.92 42.37 2k54 s ASP 20 CO 0.00 -1.50 1.95 0.40 0.21 0.00 0.00 175.17 176.23 2k54 h ILE 21 N 6.20 1.15 -0.44 0.77 1.08 -1.93 -0.82 117.51 123.51 2k54 h ILE 21 Ca -0.06 -0.81 0.06 0.00 -0.39 0.00 0.00 64.86 63.65 2k54 h ILE 21 Cb 1.04 1.44 -0.05 0.00 -3.07 0.00 0.00 36.82 36.18 2k54 h ILE 21 CO 1.27 0.23 0.16 0.44 -0.69 0.00 0.00 178.15 179.55 2k54 h ASP 22 N 0.00 0.16 0.69 1.72 3.32 -1.97 0.75 116.42 121.09 2k54 h ASP 22 Ca -0.00 0.05 -0.26 0.00 0.02 0.00 0.00 57.03 56.84 2k54 h ASP 22 Cb 0.42 0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 2k54 h ASP 22 CO 0.03 0.13 -1.30 0.00 -1.72 0.00 0.00 179.24 176.38 2k54 h ALA 23 N 1.29 0.31 0.00 3.45 0.00 -1.91 -0.20 119.26 122.20 2k54 h ALA 23 Ca 0.21 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 54.09 2k54 h ALA 23 Cb 0.20 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2k54 h ALA 23 CO -0.21 1.19 0.00 0.34 0.00 0.00 0.00 179.25 180.57 2k54 n PHE 24 N -3.39 0.00 0.00 0.00 7.35 -0.32 -2.83 117.46 118.26 2k54 n PHE 24 Ca -0.09 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.60 2k54 n PHE 24 Cb 1.00 -0.44 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 -1.44 2.99 -0.11 -4.13 1.56 0.24 -4.87 117.12 111.36 2k54 n MET 25 Ca 0.06 0.00 -0.05 0.00 -0.27 0.00 0.00 57.70 57.43 2k54 n MET 25 Cb 0.20 -0.76 0.01 0.00 2.15 0.00 0.00 33.22 34.82 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 0.20 -0.19 -5.12 0.00 -0.86 -2.55 119.26 110.74 2k54 h ALA 26 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2k54 h ALA 26 Cb 0.00 0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2k54 h ALA 26 CO 0.00 -0.48 0.00 0.91 0.00 0.00 0.00 179.25 179.68 2k54 n TRP 27 N -5.31 0.25 -3.59 0.00 7.02 -1.26 -4.86 117.44 109.69 2k54 n TRP 27 Ca 0.02 -0.12 -0.32 0.00 -1.02 0.00 0.00 57.50 56.05 2k54 n TRP 27 Cb 0.23 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 29.07 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 -1.75 3.46 0.52 -5.99 0.52 -0.96 -1.45 118.94 113.28 2k54 s TRP 28 Ca 0.25 0.67 -0.18 0.00 0.02 0.00 0.00 56.10 56.85 2k54 s TRP 28 Cb 0.13 -2.09 -0.07 0.00 -1.15 0.00 0.00 33.47 30.29 2k54 s TRP 28 CO 0.19 0.38 1.03 0.00 0.02 0.00 0.00 176.95 178.58 2k54 s ALA 29 N -1.70 2.86 0.44 0.98 0.00 -0.17 -4.67 121.76 119.50 2k54 s ALA 29 Ca 0.43 0.47 0.15 0.00 0.00 0.00 0.00 51.96 53.01 2k54 s ALA 29 Cb -0.12 -3.22 0.98 0.00 0.00 0.00 0.00 23.12 20.76 2k54 s ALA 29 CO 0.23 -0.44 1.97 0.22 0.00 0.00 0.00 175.76 177.75 2k54 h ASP 30 N 1.13 0.00 -0.50 0.00 3.58 -1.97 -2.18 116.42 116.47 2k54 h ASP 30 Ca -0.48 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 56.95 2k54 h ASP 30 Cb 1.21 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.25 2k54 h ASP 30 CO 0.59 0.20 0.02 0.47 -2.88 0.00 0.00 179.24 177.64 2k54 n ASP 31 N -4.27 5.00 -4.63 2.28 8.00 -1.26 -1.47 116.55 120.19 2k54 n ASP 31 Ca -0.02 -2.82 -0.42 0.00 0.71 0.00 0.00 54.79 52.24 2k54 n ASP 31 Cb 0.26 -0.67 -0.03 0.00 -0.02 0.00 0.00 41.12 40.67 2k54 n ASP 31 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k54 s GLN 33 N 5.17 3.66 -0.08 0.00 -1.52 -0.52 -1.11 119.66 125.26 2k54 s GLN 33 Ca 0.90 1.59 -0.03 0.00 -1.95 0.00 0.00 55.36 55.86 2k54 s GLN 33 Cb -0.36 -2.19 0.04 0.00 -0.22 0.00 0.00 33.01 30.28 2k54 s GLN 33 CO 0.37 -0.59 0.11 -0.47 -0.25 0.00 0.00 175.29 174.46 2k54 s TYR 34 N -1.75 -0.04 0.10 0.91 5.04 0.67 -0.79 117.35 121.50 2k54 s TYR 34 Ca 0.67 0.32 0.09 0.00 -2.44 0.00 0.00 57.07 55.72 2k54 s TYR 34 Cb -0.23 -0.41 -0.04 0.00 0.35 0.00 0.00 41.96 41.63 2k54 s TYR 34 CO 0.27 -0.29 -0.21 0.71 -1.34 0.00 0.00 175.55 174.69 2k54 s TYR 35 N 2.23 2.46 0.13 4.97 1.51 -1.00 -0.64 117.35 127.01 2k54 s TYR 35 Ca 0.04 -0.30 0.03 0.00 -1.01 0.00 0.00 57.07 55.83 2k54 s TYR 35 Cb -0.13 -1.34 -0.04 0.00 -0.11 0.00 0.00 41.96 40.34 2k54 s TYR 35 CO -0.05 0.33 0.18 0.00 -1.11 0.00 0.00 175.55 174.90 2k54 s ALA 36 N -1.06 3.75 0.15 3.71 0.00 -0.52 -2.63 121.76 125.17 2k54 s ALA 36 Ca 0.16 -1.08 -0.33 0.00 0.00 0.00 0.00 51.96 50.71 2k54 s ALA 36 Cb -0.10 -1.57 -0.13 0.00 0.00 0.00 0.00 23.12 21.32 2k54 s ALA 36 CO 0.08 0.60 1.65 0.34 0.00 0.00 0.00 175.76 178.42 2k54 n PHE 37 N -0.20 2.40 0.22 0.00 7.35 -0.81 -1.22 117.46 125.20 2k54 n PHE 37 Ca -0.07 0.17 -0.10 0.00 -0.76 0.00 0.00 57.45 56.69 2k54 n PHE 37 Cb 0.53 -2.59 -0.05 0.00 0.35 0.00 0.00 39.48 37.73 2k54 n PHE 37 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 2k54 h PRO 38 N 6.53 -0.60 -0.55 -7.13 0.11 -1.98 -3.44 132.00 124.93 2k54 h PRO 38 Ca -0.45 0.04 -0.22 0.00 0.11 0.00 0.00 66.00 65.48 2k54 h PRO 38 Cb 1.24 0.14 -0.17 0.00 0.11 0.00 0.00 31.00 32.32 2k54 h PRO 38 CO 0.91 -0.40 -0.54 0.00 -0.21 0.00 0.00 178.00 177.76 2k54 n ALA 39 N -2.70 -1.27 -2.92 -0.75 0.00 -0.67 -5.00 120.51 107.20 2k54 n ALA 39 Ca -0.08 -1.41 -0.39 0.00 0.00 0.00 0.00 53.44 51.56 2k54 n ALA 39 Cb 0.25 -1.35 -0.12 0.00 0.00 0.00 0.00 19.45 18.23 2k54 n ALA 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2k54 s THR 40 N 0.65 4.41 -0.49 0.00 2.01 -0.36 -4.89 115.64 116.97 2k54 s THR 40 Ca 0.31 -0.80 -0.27 0.00 0.31 0.00 0.00 61.69 61.25 2k54 s THR 40 Cb 0.13 -3.40 -0.03 0.00 0.01 0.00 0.00 72.50 69.21 2k54 s THR 40 CO -0.17 -0.14 2.01 -0.22 -0.69 0.00 0.00 174.62 175.41 2k54 s LEU 41 N 1.54 3.38 -0.06 4.42 0.20 -1.26 -1.43 118.68 125.46 2k54 s LEU 41 Ca 0.02 0.86 -0.18 0.00 0.69 0.00 0.00 54.13 55.51 2k54 s LEU 41 Cb -0.19 -2.83 -0.30 0.00 -0.43 0.00 0.00 46.19 42.45 2k54 s LEU 41 CO 0.06 -2.32 0.76 -0.07 -0.29 0.00 0.00 176.35 174.49 2k54 h LEU 42 N 16.47 0.49 -7.23 -0.68 3.38 -1.24 -3.47 115.31 123.03 2k54 h LEU 42 Ca -0.28 -0.91 -0.40 0.00 0.09 0.00 0.00 57.88 56.37 2k54 h LEU 42 Cb 1.19 -0.16 -0.40 0.00 0.09 0.00 0.00 40.66 41.39 2k54 h LEU 42 CO 1.14 1.54 -0.74 0.00 0.09 0.00 0.00 178.44 180.47 2k54 s ALA 43 N -2.47 0.32 -0.31 1.53 0.00 -1.03 -5.02 121.76 114.79 2k54 s ALA 43 Ca -0.16 0.00 0.01 0.00 0.00 0.00 0.00 51.96 51.82 2k54 s ALA 43 Cb 0.03 -0.77 0.37 0.00 0.00 0.00 0.00 23.12 22.75 2k54 s ALA 43 CO 0.82 -0.72 1.68 0.41 0.00 0.00 0.00 175.76 177.95 2k54 n GLY 44 N 5.28 3.78 0.00 0.00 0.00 -1.26 -0.24 105.19 112.75 2k54 n GLY 44 Ca -0.05 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.36 0.00 0.24 1.61 2.04 -0.26 -4.62 115.26 113.91 2k54 n ASN 45 Ca 0.37 0.00 0.11 0.00 -0.44 0.00 0.00 54.58 54.62 2k54 n ASN 45 Cb 1.05 0.00 0.59 0.00 -2.53 0.00 0.00 39.78 38.89 2k54 n ASN 45 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2k54 h ALA 46 N 0.00 1.16 -0.37 -2.53 0.00 -1.29 -3.21 119.26 113.02 2k54 h ALA 46 Ca 0.00 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.79 2k54 h ALA 46 Cb 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.72 2k54 h ALA 46 CO 0.00 0.23 0.12 0.00 0.00 0.00 0.00 179.25 179.60 2k54 h ALA 47 N 1.82 0.43 -0.01 0.00 0.00 -1.91 -1.57 119.26 118.01 2k54 h ALA 47 Ca -0.00 0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 2k54 h ALA 47 Cb 0.54 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2k54 h ALA 47 CO 0.02 -0.27 -0.73 0.93 0.00 0.00 0.00 179.25 179.20 2k54 h GLU 48 N 0.27 0.10 -0.05 0.00 5.08 -1.96 -3.20 114.58 114.83 2k54 h GLU 48 Ca 0.17 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 2k54 h GLU 48 Cb 0.16 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.43 2k54 h GLU 48 CO -0.18 0.79 0.01 0.82 -1.00 0.00 0.00 179.01 179.44 2k54 h ILE 49 N 0.07 1.20 -0.07 3.13 2.04 -1.48 -1.84 117.51 120.57 2k54 h ILE 49 Ca -0.02 -0.60 -0.00 0.00 1.00 0.00 0.00 64.86 65.24 2k54 h ILE 49 Cb 1.29 1.50 -0.00 0.00 -0.74 0.00 0.00 36.82 38.87 2k54 h ILE 49 CO 0.10 0.16 0.03 0.08 0.00 0.00 0.00 178.15 178.53 2k54 h ARG 50 N -0.14 0.10 -0.59 2.37 0.11 -1.39 -1.31 114.38 113.52 2k54 h ARG 50 Ca 0.02 -0.02 -0.04 0.00 0.10 0.00 0.00 59.98 60.04 2k54 h ARG 50 Cb 0.25 -0.02 -0.03 0.00 1.11 0.00 0.00 29.97 31.29 2k54 h ARG 50 CO 0.00 0.20 0.22 0.28 0.10 0.00 0.00 179.97 180.77 2k54 h VAL 51 N -0.03 1.23 -0.08 0.08 2.07 -1.60 -0.84 116.25 117.07 2k54 h VAL 51 Ca 0.02 -0.74 -0.10 0.00 0.82 0.00 0.00 66.70 66.70 2k54 h VAL 51 Cb 0.14 0.61 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 2k54 h VAL 51 CO -0.00 0.29 -0.39 -0.09 0.02 0.00 0.00 177.57 177.40 2k54 h ARG 52 N 0.82 0.16 0.00 1.57 2.43 -1.28 -2.63 114.38 115.45 2k54 h ARG 52 Ca 0.19 -0.07 -0.17 0.00 -0.81 0.00 0.00 59.98 59.13 2k54 h ARG 52 Cb 0.23 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.75 2k54 h ARG 52 CO -0.01 0.53 -0.80 0.45 -1.51 0.00 0.00 179.97 178.63 2k54 h HIS 53 N 0.14 0.00 -0.92 2.20 3.86 -0.84 -3.13 115.15 116.46 2k54 h HIS 53 Ca 0.01 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.28 2k54 h HIS 53 Cb 0.75 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.16 2k54 h HIS 53 CO 0.01 0.80 0.60 0.82 0.86 0.00 0.00 177.93 181.02 2k54 h ILE 54 N 0.00 1.10 -0.33 2.45 2.04 -0.79 0.20 117.51 122.19 2k54 h ILE 54 Ca -0.01 -0.37 -0.06 0.00 1.00 0.00 0.00 64.86 65.42 2k54 h ILE 54 Cb 1.51 -0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 37.49 2k54 h ILE 54 CO 0.10 0.20 -0.03 -0.33 0.00 0.00 0.00 178.15 178.09 2k54 h GLU 55 N 1.09 0.52 0.00 2.37 5.08 -1.52 -2.03 114.58 120.10 2k54 h GLU 55 Ca 0.39 -0.12 -0.09 0.00 -1.00 0.00 0.00 59.36 58.54 2k54 h GLU 55 Cb 0.13 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2k54 h GLU 55 CO -0.14 0.57 -0.42 -0.09 -1.00 0.00 0.00 179.01 177.94 2k54 h ARG 56 N 0.50 0.00 -0.00 2.33 9.65 -1.15 -3.09 114.38 122.61 2k54 h ARG 56 Ca 0.10 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.98 2k54 h ARG 56 Cb 0.37 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.95 2k54 h ARG 56 CO 0.02 0.42 -0.09 1.19 2.80 0.00 0.00 179.97 184.30 2k54 n PHE 57 N -3.25 0.00 0.90 2.20 3.01 0.59 -2.85 117.46 118.06 2k54 n PHE 57 Ca 0.02 0.00 0.13 0.00 1.01 0.00 0.00 57.45 58.60 2k54 n PHE 57 Cb 0.67 -0.21 0.56 0.00 -0.01 0.00 0.00 39.48 40.49 2k54 n PHE 57 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2k54 n LYS 58 N -1.06 0.00 -2.20 -1.08 4.76 -0.82 -4.71 118.16 113.05 2k54 n LYS 58 Ca 0.14 0.05 -0.43 0.00 -2.87 0.00 0.00 58.31 55.20 2k54 n LYS 58 Cb 0.27 -1.50 -0.02 0.00 -1.84 0.00 0.00 35.03 31.94 2k54 n LYS 58 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2k54 s GLU 59 N -3.00 3.55 0.49 1.97 0.41 -1.13 -4.91 118.70 116.08 2k54 s GLU 59 Ca 0.13 1.23 0.20 0.00 -0.41 0.00 0.00 54.97 56.11 2k54 s GLU 59 Cb 0.17 -4.07 1.25 0.00 -1.78 0.00 0.00 34.13 29.70 2k54 s GLU 59 CO 0.48 -1.59 2.07 -1.00 -0.49 0.00 0.00 175.26 174.72 2k54 h PRO 60 N 11.33 0.00 -0.23 0.39 0.13 -1.91 -2.47 132.00 139.25 2k54 h PRO 60 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 2k54 h PRO 60 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2k54 h PRO 60 CO 1.05 0.12 0.00 -0.25 -0.23 0.00 0.00 178.00 178.69 2k54 n ASP 61 N -4.13 2.12 -4.61 1.44 8.00 -1.26 -4.90 116.55 113.22 2k54 n ASP 61 Ca -0.02 -1.80 -0.43 0.00 0.71 0.00 0.00 54.79 53.25 2k54 n ASP 61 Cb 0.20 -0.15 -0.03 0.00 -0.02 0.00 0.00 41.12 41.13 2k54 n ASP 61 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2k54 s LEU 62 N -1.52 3.64 -0.17 0.64 2.96 -0.93 -4.49 118.68 118.80 2k54 s LEU 62 Ca 0.33 1.70 -0.05 0.00 -0.22 0.00 0.00 54.13 55.90 2k54 s LEU 62 Cb 0.18 -3.52 0.09 0.00 0.50 0.00 0.00 46.19 43.44 2k54 s LEU 62 CO 0.27 -1.66 0.30 -0.47 -1.32 0.00 0.00 176.35 173.47 2k54 s TYR 63 N 6.86 -0.52 -0.58 5.38 5.04 -1.25 -4.83 117.35 127.45 2k54 s TYR 63 Ca 0.87 0.87 -0.19 0.00 -2.44 0.00 0.00 57.07 56.17 2k54 s TYR 63 Cb -0.29 -0.05 0.09 0.00 0.35 0.00 0.00 41.96 42.07 2k54 s TYR 63 CO 0.34 -0.49 0.71 0.20 -1.34 0.00 0.00 175.55 174.98 2k54 s GLY 64 N 2.45 1.73 -0.73 8.97 0.00 -1.26 -1.20 107.32 117.28 2k54 s GLY 64 Ca 0.04 -2.09 -0.26 0.00 0.00 0.00 0.00 44.72 42.41 2k54 s GLY 64 CO -0.11 1.61 1.22 1.85 0.00 0.00 0.00 173.10 177.67 2k54 s GLU 65 N 2.81 3.18 -0.03 2.90 2.12 -0.69 -4.87 118.70 124.11 2k54 s GLU 65 Ca 0.13 -0.36 -0.30 0.00 0.36 0.00 0.00 54.97 54.81 2k54 s GLU 65 Cb -0.22 -4.19 -0.03 0.00 0.26 0.00 0.00 34.13 29.94 2k54 s GLU 65 CO 0.08 -2.09 1.15 -1.17 -0.54 0.00 0.00 175.26 172.69 2k54 s LEU 66 N 5.42 4.30 -0.08 2.70 2.96 -1.26 -1.07 118.68 131.65 2k54 s LEU 66 Ca 0.33 1.80 0.04 0.00 -0.22 0.00 0.00 54.13 56.08 2k54 s LEU 66 Cb -0.10 -3.56 -0.08 0.00 0.50 0.00 0.00 46.19 42.95 2k54 s LEU 66 CO 0.14 -0.51 -0.02 0.00 -1.32 0.00 0.00 176.35 174.64 2k54 n LEU 67 N 4.81 1.19 -3.71 -0.68 -0.00 -1.05 -5.00 117.00 112.56 2k54 n LEU 67 Ca 0.10 -0.02 -0.13 0.00 -0.00 0.00 0.00 56.01 55.96 2k54 n LEU 67 Cb 0.47 -0.02 -0.09 0.00 -0.00 0.00 0.00 43.42 43.77 2k54 n LEU 67 CO 0.55 0.37 0.14 -0.89 -0.00 0.00 0.00 177.39 177.56 2k54 s THR 68 N -2.18 -0.00 -0.06 1.47 2.01 -1.17 -5.09 115.64 110.62 2k54 s THR 68 Ca -0.07 0.00 -0.02 0.00 0.31 0.00 0.00 61.69 61.91 2k54 s THR 68 Cb 0.03 -0.65 0.04 0.00 0.01 0.00 0.00 72.50 71.92 2k54 s THR 68 CO 0.27 0.00 0.12 0.00 -0.69 0.00 0.00 174.62 174.31 2k54 s ARG 69 N 0.28 0.02 -0.26 4.92 1.70 -1.26 -0.84 118.95 123.51 2k54 s ARG 69 Ca -0.00 0.39 -0.07 0.00 -0.47 0.00 0.00 55.73 55.58 2k54 s ARG 69 Cb -0.03 -0.27 -0.02 0.00 -0.57 0.00 0.00 34.95 34.06 2k54 s ARG 69 CO 0.00 -0.23 0.07 0.14 -1.08 0.00 0.00 175.30 174.20 2k54 s VAL 70 N 1.63 4.22 0.01 4.99 -7.23 -0.60 -4.94 120.40 118.48 2k54 s VAL 70 Ca -0.04 -0.28 -0.09 0.00 -1.81 0.00 0.00 61.98 59.77 2k54 s VAL 70 Cb -0.12 -3.01 -0.05 0.00 0.56 0.00 0.00 36.38 33.76 2k54 s VAL 70 CO -0.05 0.30 0.32 -0.51 -0.31 0.00 0.00 175.10 174.85 2k54 s ILE 71 N 1.59 5.21 -0.31 -0.62 2.07 -1.26 -1.23 121.20 126.65 2k54 s ILE 71 Ca 0.06 0.38 0.01 0.00 -1.41 0.00 0.00 60.65 59.69 2k54 s ILE 71 Cb -0.15 -3.60 0.15 0.00 0.13 0.00 0.00 42.46 38.98 2k54 s ILE 71 CO 0.03 0.41 0.34 0.54 -1.91 0.00 0.00 174.94 174.35 2k54 s VAL 72 N -1.26 -0.43 0.00 4.00 0.11 -0.20 -5.01 120.40 117.61 2k54 s VAL 72 Ca 0.27 -0.58 0.00 0.00 -2.93 0.00 0.00 61.98 58.74 2k54 s VAL 72 Cb -0.14 -0.90 0.00 0.00 -1.53 0.00 0.00 36.38 33.81 2k54 s VAL 72 CO 0.15 -0.46 0.00 0.61 -3.33 0.00 0.00 175.10 172.06 2k54 n GLY 73 N 5.04 2.72 1.67 6.54 0.00 -1.26 -2.33 105.19 117.57 2k54 n GLY 73 Ca 0.02 -0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.09 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 9.82 5.25 -4.01 1.61 6.94 -1.26 -4.88 115.26 128.73 2k54 n ASN 74 Ca 0.00 -2.83 -0.21 0.00 -0.02 0.00 0.00 54.58 51.52 2k54 n ASN 74 Cb 0.00 -0.64 -0.15 0.00 -2.36 0.00 0.00 39.78 36.63 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 -2.56 0.82 -0.03 3.53 1.01 -0.99 -0.84 120.40 121.34 2k54 s VAL 75 Ca 0.52 -0.38 0.05 0.00 0.00 0.00 0.00 61.98 62.17 2k54 s VAL 75 Cb 0.38 -0.72 -0.01 0.00 0.00 0.00 0.00 36.38 36.03 2k54 s VAL 75 CO 0.17 0.25 -0.18 -0.69 0.00 0.00 0.00 175.10 174.65 2k54 s VAL 76 N 0.16 1.51 -0.50 2.92 1.01 -0.70 -1.03 120.40 123.76 2k54 s VAL 76 Ca -0.03 -0.78 -0.17 0.00 0.00 0.00 0.00 61.98 61.01 2k54 s VAL 76 Cb -0.08 -1.28 0.08 0.00 0.00 0.00 0.00 36.38 35.10 2k54 s VAL 76 CO 0.00 0.43 0.49 -0.63 0.00 0.00 0.00 175.10 175.40 2k54 s ILE 77 N -0.16 5.11 -0.49 2.22 -1.09 -0.36 -1.49 121.20 124.95 2k54 s ILE 77 Ca 0.00 -0.99 -0.23 0.00 -2.23 0.00 0.00 60.65 57.20 2k54 s ILE 77 Cb -0.10 -4.23 0.03 0.00 -1.58 0.00 0.00 42.46 36.58 2k54 s ILE 77 CO 0.01 -0.73 0.80 -1.81 -1.23 0.00 0.00 174.94 171.98 2k54 s ASP 78 N 2.88 6.36 -0.45 3.58 1.11 -0.46 -1.56 116.67 128.13 2k54 s ASP 78 Ca 0.07 -0.31 -0.16 0.00 0.18 0.00 0.00 52.55 52.33 2k54 s ASP 78 Cb -0.24 -2.38 0.05 0.00 1.07 0.00 0.00 42.92 41.42 2k54 s ASP 78 CO 0.07 -0.99 0.42 -2.28 1.18 0.00 0.00 175.17 173.57 2k54 s HIS 79 N 3.35 3.19 -0.05 4.23 2.46 -0.02 -0.74 115.29 127.71 2k54 s HIS 79 Ca 0.27 -0.66 0.03 0.00 0.47 0.00 0.00 55.06 55.18 2k54 s HIS 79 Cb -0.13 -3.03 0.00 0.00 -0.13 0.00 0.00 32.58 29.29 2k54 s HIS 79 CO 0.20 -0.77 -0.14 -1.83 -2.47 0.00 0.00 174.74 169.73 2k54 s GLU 80 N 1.92 1.63 -0.64 2.88 4.04 -0.77 -2.54 118.70 125.23 2k54 s GLU 80 Ca 0.08 -0.50 -0.28 0.00 0.04 0.00 0.00 54.97 54.31 2k54 s GLU 80 Cb -0.21 -1.40 0.03 0.00 0.02 0.00 0.00 34.13 32.57 2k54 s GLU 80 CO 0.10 0.15 1.22 0.99 -1.84 0.00 0.00 175.26 175.88 2k54 s THR 81 N 0.25 3.92 -0.32 1.83 2.01 -0.23 -1.87 115.64 121.23 2k54 s THR 81 Ca -0.07 0.72 -0.28 0.00 0.31 0.00 0.00 61.69 62.37 2k54 s THR 81 Cb -0.12 -4.79 0.02 0.00 0.01 0.00 0.00 72.50 67.61 2k54 s THR 81 CO 0.02 -1.52 1.04 -0.69 -0.69 0.00 0.00 174.62 172.78 2k54 s VAL 82 N 5.22 4.54 -0.15 3.82 1.01 0.46 -1.70 120.40 133.59 2k54 s VAL 82 Ca 0.40 1.64 -0.29 0.00 0.00 0.00 0.00 61.98 63.73 2k54 s VAL 82 Cb -0.08 -4.39 -0.03 0.00 0.00 0.00 0.00 36.38 31.88 2k54 s VAL 82 CO 0.22 -0.47 1.49 -0.89 0.00 0.00 0.00 175.10 175.44 2k54 s THR 83 N 3.59 3.89 0.06 3.92 2.01 -0.34 -1.00 115.64 127.77 2k54 s THR 83 Ca 0.44 1.05 0.00 0.00 0.31 0.00 0.00 61.69 63.49 2k54 s THR 83 Cb -0.12 -3.76 0.00 0.00 0.01 0.00 0.00 72.50 68.63 2k54 s THR 83 CO 0.16 -0.18 0.00 0.54 -0.69 0.00 0.00 174.62 174.45 2k54 n ARG 84 N 7.11 1.80 -4.03 4.92 5.12 -0.55 -3.97 116.66 127.07 2k54 n ARG 84 Ca 0.16 -0.46 -0.31 0.00 -1.93 0.00 0.00 57.85 55.31 2k54 n ARG 84 Cb 0.44 0.12 -0.16 0.00 -1.16 0.00 0.00 32.46 31.70 2k54 n ARG 84 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 2k54 s ASN 85 N -1.36 3.83 -0.07 0.55 -0.87 -1.25 -4.00 114.94 111.77 2k54 s ASN 85 Ca 0.00 -1.10 0.02 0.00 -1.57 0.00 0.00 52.86 50.22 2k54 s ASN 85 Cb -0.00 -1.36 -0.02 0.00 -0.02 0.00 0.00 41.25 39.84 2k54 s ASN 85 CO 0.00 -0.16 -0.13 -0.36 -2.57 0.00 0.00 177.10 173.88 2k54 s PHE 86 N 1.28 2.77 0.49 2.20 0.08 -0.64 -4.92 117.98 119.25 2k54 s PHE 86 Ca -0.04 -0.25 0.40 0.00 0.12 0.00 0.00 56.93 57.16 2k54 s PHE 86 Cb -0.18 -1.70 2.19 0.00 -0.57 0.00 0.00 43.02 42.76 2k54 s PHE 86 CO -0.07 0.11 2.23 -1.00 -0.10 0.00 0.00 175.22 176.39 2k54 h PRO 87 N 5.69 0.00 0.00 0.24 0.13 -2.00 -1.96 132.00 134.10 2k54 h PRO 87 Ca -0.41 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.60 2k54 h PRO 87 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 2k54 h PRO 87 CO 0.52 0.00 -0.57 1.05 -0.23 0.00 0.00 178.00 178.77 2k54 h GLU 88 N 0.00 0.00 0.00 0.86 9.09 -2.04 -3.49 114.58 119.00 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 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 2k54 h GLU 88 CO 0.00 0.57 0.00 0.41 0.05 0.00 0.00 179.01 180.04 2k54 n GLY 89 N 1.14 -0.30 0.00 1.06 0.00 -0.74 -4.76 105.19 101.60 2k54 n GLY 89 Ca 0.01 0.57 0.00 0.00 0.00 0.00 0.00 46.02 46.61 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 -4.12 118.16 117.39 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 -0.58 0.00 0.00 0.00 0.00 0.00 35.03 34.45 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 1.03 1.95 3.48 3.14 0.00 -1.23 -1.61 105.19 111.95 2k54 n GLY 91 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.10 3.22 -0.13 1.61 -1.05 -0.41 -1.48 118.70 120.36 2k54 s GLU 92 Ca 0.00 -0.56 -0.05 0.00 -0.15 0.00 0.00 54.97 54.20 2k54 s GLU 92 Cb 0.00 -4.11 -0.04 0.00 -0.44 0.00 0.00 34.13 29.54 2k54 s GLU 92 CO 0.00 -1.51 0.06 0.14 0.95 0.00 0.00 175.26 174.90 2k54 s VAL 93 N 3.66 4.84 0.12 1.83 -7.23 -0.17 -1.27 120.40 122.18 2k54 s VAL 93 Ca 0.25 -0.03 -0.30 0.00 -1.81 0.00 0.00 61.98 60.08 2k54 s VAL 93 Cb -0.15 -3.11 -0.06 0.00 0.56 0.00 0.00 36.38 33.61 2k54 s VAL 93 CO 0.15 0.56 1.12 -1.81 -0.31 0.00 0.00 175.10 174.81 2k54 s ASP 94 N -0.51 7.22 0.04 4.85 1.01 -0.31 -0.40 116.67 128.57 2k54 s ASP 94 Ca 0.10 2.01 0.04 0.00 0.71 0.00 0.00 52.55 55.41 2k54 s ASP 94 Cb -0.12 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.20 2k54 s ASP 94 CO 0.02 -0.31 -0.11 -0.69 0.21 0.00 0.00 175.17 174.29 2k54 s VAL 95 N 0.34 0.84 -0.33 -1.27 1.01 -0.78 0.43 120.40 120.63 2k54 s VAL 95 Ca 0.53 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.53 2k54 s VAL 95 Cb -0.28 -0.81 0.09 0.00 0.00 0.00 0.00 36.38 35.38 2k54 s VAL 95 CO 0.32 -0.15 0.04 0.00 0.00 0.00 0.00 175.10 175.31 2k54 s ALA 96 N -1.02 2.88 -0.46 5.51 0.00 -0.17 -1.84 121.76 126.67 2k54 s ALA 96 Ca -0.03 -2.30 -0.19 0.00 0.00 0.00 0.00 51.96 49.43 2k54 s ALA 96 Cb -0.08 -1.98 0.04 0.00 0.00 0.00 0.00 23.12 21.09 2k54 s ALA 96 CO 0.01 -1.57 0.59 0.00 0.00 0.00 0.00 175.76 174.79 2k54 s ILE 98 N 2.61 4.94 -0.18 0.00 2.07 0.35 -1.35 121.20 129.64 2k54 s ILE 98 Ca 0.18 -0.60 -0.08 0.00 -1.41 0.00 0.00 60.65 58.74 2k54 s ILE 98 Cb -0.16 -3.68 -0.04 0.00 0.13 0.00 0.00 42.46 38.71 2k54 s ILE 98 CO 0.15 -0.17 0.07 -0.31 -1.91 0.00 0.00 174.94 172.77 2k54 s TYR 99 N 1.64 3.26 -0.38 3.50 1.51 -0.55 -1.19 117.35 125.13 2k54 s TYR 99 Ca 0.04 0.09 -0.14 0.00 -1.01 0.00 0.00 57.07 56.05 2k54 s TYR 99 Cb -0.18 -2.08 0.01 0.00 -0.11 0.00 0.00 41.96 39.59 2k54 s TYR 99 CO 0.08 0.17 0.27 -2.00 -1.11 0.00 0.00 175.55 172.96 2k54 s GLU 100 N 0.36 3.15 -0.37 -0.62 2.12 0.26 -1.72 118.70 121.88 2k54 s GLU 100 Ca 0.03 -0.89 -0.18 0.00 0.36 0.00 0.00 54.97 54.30 2k54 s GLU 100 Cb -0.12 -3.91 0.00 0.00 0.26 0.00 0.00 34.13 30.36 2k54 s GLU 100 CO -0.00 -0.64 0.49 0.08 -0.54 0.00 0.00 175.26 174.65 2k54 s VAL 101 N 1.69 5.04 -0.07 3.70 1.01 -0.02 -1.55 120.40 130.20 2k54 s VAL 101 Ca 0.05 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.24 2k54 s VAL 101 Cb -0.18 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.22 2k54 s VAL 101 CO 0.10 -0.26 -0.23 -0.70 0.00 0.00 0.00 175.10 174.01 2k54 s GLU 102 N 2.33 2.59 -1.55 2.72 2.12 0.26 -4.70 118.70 122.47 2k54 s GLU 102 Ca 0.17 -0.84 -0.00 0.00 0.36 0.00 0.00 54.97 54.65 2k54 s GLU 102 Cb -0.16 -2.11 0.00 0.00 0.26 0.00 0.00 34.13 32.13 2k54 s GLU 102 CO 0.14 0.28 0.04 0.09 -0.54 0.00 0.00 175.26 175.27 2k54 n ASN 103 N 3.20 -5.33 0.00 -1.70 3.02 -1.26 -2.31 115.26 110.87 2k54 n ASN 103 Ca -0.18 -0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.33 2k54 n ASN 103 Cb 0.52 -4.38 0.00 0.00 -0.61 0.00 0.00 39.78 35.32 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 -1.05 1.72 3.15 7.41 0.00 -1.26 -5.03 105.19 110.13 2k54 n GLY 104 Ca -0.21 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.31 0.85 -0.53 1.61 1.81 -0.98 -4.87 118.95 116.54 2k54 s ARG 105 Ca 0.00 -0.82 -0.27 0.00 -1.72 0.00 0.00 55.73 52.92 2k54 s ARG 105 Cb 0.00 -0.85 -0.03 0.00 -0.45 0.00 0.00 34.95 33.62 2k54 s ARG 105 CO 0.00 0.20 1.92 0.42 -0.68 0.00 0.00 175.30 177.16 2k54 s ILE 106 N -1.03 3.34 -0.29 1.52 1.01 -0.53 -0.58 121.20 124.64 2k54 s ILE 106 Ca -0.00 0.24 0.19 0.00 0.00 0.00 0.00 60.65 61.08 2k54 s ILE 106 Cb -0.09 -3.75 0.17 0.00 0.01 0.00 0.00 42.46 38.81 2k54 s ILE 106 CO 0.02 -0.67 1.46 0.00 0.00 0.00 0.00 174.94 175.75 2k54 h ALA 107 N 15.09 0.81 -2.81 9.38 0.00 -1.52 -0.44 119.26 139.78 2k54 h ALA 107 Ca -0.28 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.26 2k54 h ALA 107 Cb 1.18 -0.02 -0.23 0.00 0.00 0.00 0.00 17.79 18.71 2k54 h ALA 107 CO 1.17 0.32 -0.31 0.15 0.00 0.00 0.00 179.25 180.57 2k54 s LYS 108 N -3.10 0.47 -0.10 0.00 1.02 -1.04 -1.43 119.74 115.56 2k54 s LYS 108 Ca 0.05 0.26 -0.07 0.00 0.02 0.00 0.00 55.97 56.23 2k54 s LYS 108 Cb 0.07 0.22 0.04 0.00 -0.52 0.00 0.00 37.83 37.63 2k54 s LYS 108 CO 0.72 -0.09 0.25 0.00 -0.92 0.00 0.00 175.35 175.31 2k54 s ALA 109 N -0.28 -0.58 0.06 5.17 0.00 0.03 -0.58 121.76 125.58 2k54 s ALA 109 Ca -0.04 0.87 0.04 0.00 0.00 0.00 0.00 51.96 52.83 2k54 s ALA 109 Cb -0.03 -0.54 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 2k54 s ALA 109 CO 0.02 -0.16 -0.12 -1.58 0.00 0.00 0.00 175.76 173.92 2k54 s TRP 110 N 0.79 0.99 0.03 0.00 0.51 -0.33 -2.38 118.94 118.55 2k54 s TRP 110 Ca -0.05 -0.46 0.03 0.00 -2.12 0.00 0.00 56.10 53.50 2k54 s TRP 110 Cb -0.07 -0.57 -0.02 0.00 -0.81 0.00 0.00 33.47 32.00 2k54 s TRP 110 CO -0.05 0.00 -0.10 -0.59 -0.51 0.00 0.00 176.95 175.70 2k54 s PHE 111 N -1.26 0.86 -0.08 -1.98 -0.71 -1.08 -0.50 117.98 113.23 2k54 s PHE 111 Ca -0.05 -0.36 -0.04 0.00 -1.04 0.00 0.00 56.93 55.44 2k54 s PHE 111 Cb -0.10 -0.51 0.04 0.00 -1.21 0.00 0.00 43.02 41.24 2k54 s PHE 111 CO 0.01 -0.02 0.19 -1.59 -1.34 0.00 0.00 175.22 172.48 2k54 s LYS 112 N -1.14 0.14 -0.25 1.99 -2.85 -1.02 -1.93 119.74 114.69 2k54 s LYS 112 Ca -0.03 0.45 -0.20 0.00 -1.00 0.00 0.00 55.97 55.19 2k54 s LYS 112 Cb -0.08 -0.16 -0.02 0.00 -2.06 0.00 0.00 37.83 35.52 2k54 s LYS 112 CO 0.01 -0.17 0.62 0.42 0.10 0.00 0.00 175.35 176.32 2k54 s ILE 113 N 1.26 5.00 0.01 3.79 1.01 -1.26 -1.00 121.20 130.01 2k54 s ILE 113 Ca -0.09 1.12 -0.05 0.00 0.00 0.00 0.00 60.65 61.63 2k54 s ILE 113 Cb -0.11 -3.93 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 2k54 s ILE 113 CO -0.07 0.05 1.08 1.23 0.00 0.00 0.00 174.94 177.22 2k54 h GLY 114 N 8.80 -0.30 -2.66 6.18 0.00 -0.36 -3.48 103.07 111.25 2k54 h GLY 114 Ca -0.28 0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.18 2k54 h GLY 114 CO 0.77 -0.11 0.17 -1.83 0.00 0.00 0.00 176.54 175.54 2k54 s GLU 115 N -3.39 1.43 0.33 4.80 -1.05 -1.22 -4.99 118.70 114.62 2k54 s GLU 115 Ca -0.03 -0.69 -0.25 0.00 -0.15 0.00 0.00 54.97 53.85 2k54 s GLU 115 Cb 0.00 0.58 -0.10 0.00 -0.44 0.00 0.00 34.13 34.17 2k54 s GLU 115 CO 0.08 -0.63 0.94 -1.25 0.95 0.00 0.00 175.26 175.35 2k54 s PRO 116 N -3.82 4.54 0.01 -4.83 0.04 -1.26 -1.16 135.00 128.52 2k54 s PRO 116 Ca 0.05 1.29 0.03 0.00 0.04 0.00 0.00 61.00 62.42 2k54 s PRO 116 Cb -0.02 -2.73 -0.01 0.00 0.04 0.00 0.00 34.50 31.77 2k54 s PRO 116 CO -0.06 0.25 -0.10 1.03 0.04 0.00 0.00 177.00 178.16 2k54 s ARG 117 N -2.18 0.74 -0.10 4.56 0.52 -0.40 -4.93 118.95 117.18 2k54 s ARG 117 Ca 0.51 -0.49 0.01 0.00 -0.52 0.00 0.00 55.73 55.25 2k54 s ARG 117 Cb -0.17 -0.70 0.02 0.00 0.52 0.00 0.00 34.95 34.61 2k54 s ARG 117 CO 0.22 0.18 -0.11 0.42 0.02 0.00 0.00 175.30 176.04 2k54 s ILE 118 N -0.53 1.17 0.27 1.52 -1.09 -1.26 -1.28 121.20 120.00 2k54 s ILE 118 Ca 0.01 -0.44 0.03 0.00 -2.23 0.00 0.00 60.65 58.03 2k54 s ILE 118 Cb -0.05 -1.12 0.03 0.00 -1.58 0.00 0.00 42.46 39.74 2k54 s ILE 118 CO 0.00 0.38 1.67 0.58 -1.23 0.00 0.00 174.94 176.34 2k54 h VAL 119 N 6.05 1.30 0.00 2.92 2.07 -1.96 -2.94 116.25 123.70 2k54 h VAL 119 Ca -0.31 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 65.70 2k54 h VAL 119 Cb 1.16 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.53 2k54 h VAL 119 CO 0.46 0.46 0.00 0.28 0.02 0.00 0.00 177.57 178.79 2k54 h SER 120 N 0.32 0.00 1.04 0.57 0.02 -1.95 -3.05 113.55 110.49 2k54 h SER 120 Ca 0.03 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 2k54 h SER 120 Cb 0.83 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.36 2k54 h SER 120 CO 0.07 0.00 -0.19 -0.61 -1.14 0.00 0.00 176.83 174.95 2k54 h GLN 121 N 0.00 0.00 -5.69 3.45 5.75 -1.81 -3.41 115.11 113.40 2k54 h GLN 121 Ca 0.00 0.00 -0.66 0.00 -0.15 0.00 0.00 58.65 57.84 2k54 h GLN 121 Cb 0.67 0.00 -0.20 0.00 1.07 0.00 0.00 27.48 29.02 2k54 h GLN 121 CO 0.00 0.19 -0.67 0.21 -2.65 0.00 0.00 178.83 175.91 2k54 s LYS 122 N -3.58 3.25 0.00 1.69 2.20 -1.15 -5.11 119.74 117.04 2k54 s LYS 122 Ca 0.01 -0.51 0.00 0.00 -0.36 0.00 0.00 55.97 55.11 2k54 s LYS 122 Cb 0.10 -2.78 0.00 0.00 -1.51 0.00 0.00 37.83 33.63 2k54 s LYS 122 CO 0.63 0.46 0.00 0.45 -0.36 0.00 0.00 175.35 176.53