#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 0.00 -0.19 3.17 3.02 -1.26 -4.78 115.26 115.21 2k54 n ASN 2 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.45 2k54 n ASN 2 Cb 0.00 -0.54 0.01 0.00 -0.61 0.00 0.00 39.78 38.65 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 0.00 0.99 0.60 6.41 0.02 -1.97 -0.38 113.55 119.22 2k54 h SER 3 Ca 0.00 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 2k54 h SER 3 Cb 0.00 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.27 2k54 h SER 3 CO 0.00 1.07 0.00 -1.84 -1.14 0.00 0.00 176.83 174.92 2k54 n GLU 4 N -4.22 0.17 -0.06 3.45 0.00 -1.26 -0.23 120.64 118.49 2k54 n GLU 4 Ca 0.02 0.44 -0.08 0.00 0.00 0.00 0.00 57.16 57.54 2k54 n GLU 4 Cb 0.35 -1.85 -0.15 0.00 0.00 0.00 0.00 31.44 29.80 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 -2.17 1.44 0.16 3.84 2.08 -0.85 -4.30 119.36 119.56 2k54 n ILE 5 Ca 0.02 -0.81 0.10 0.00 0.56 0.00 0.00 62.75 62.61 2k54 n ILE 5 Cb 0.19 -0.72 0.08 0.00 -0.75 0.00 0.00 39.64 38.44 2k54 n ILE 5 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 2k54 h GLU 6 N 0.00 0.00 -0.06 0.38 4.39 -0.28 -3.34 114.58 115.67 2k54 h GLU 6 Ca -0.40 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.29 2k54 h GLU 6 Cb 2.07 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.72 2k54 h GLU 6 CO 0.05 0.07 -0.01 -0.07 -1.16 0.00 0.00 179.01 177.89 2k54 h LEU 7 N 0.00 0.11 -0.06 1.33 3.38 -0.79 -0.23 115.31 119.04 2k54 h LEU 7 Ca -0.01 -0.36 0.04 0.00 0.09 0.00 0.00 57.88 57.63 2k54 h LEU 7 Cb 1.08 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.76 2k54 h LEU 7 CO 0.01 0.44 -0.20 1.55 0.09 0.00 0.00 178.44 180.33 2k54 h PRO 8 N -0.23 -0.28 -0.72 1.13 0.13 -1.78 -2.79 132.00 127.47 2k54 h PRO 8 Ca 0.01 0.02 0.04 0.00 -0.87 0.00 0.00 66.00 65.20 2k54 h PRO 8 Cb 0.39 0.06 -0.05 0.00 0.13 0.00 0.00 31.00 31.54 2k54 h PRO 8 CO 0.01 -0.18 0.44 0.28 -0.23 0.00 0.00 178.00 178.31 2k54 h VAL 9 N -0.29 1.06 0.38 1.56 2.07 -1.67 -0.53 116.25 118.83 2k54 h VAL 9 Ca 0.08 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.29 2k54 h VAL 9 Cb 0.40 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 2k54 h VAL 9 CO -0.23 0.15 -0.18 -0.61 0.02 0.00 0.00 177.57 176.72 2k54 h GLN 10 N 0.84 -0.49 -0.13 1.57 -0.00 -1.00 -2.18 115.11 113.73 2k54 h GLN 10 Ca 0.30 0.03 -0.16 0.00 -0.00 0.00 0.00 58.65 58.82 2k54 h GLN 10 Cb 0.08 0.11 -0.01 0.00 0.00 0.00 0.00 27.48 27.66 2k54 h GLN 10 CO -0.14 -0.20 -0.61 0.87 0.00 0.00 0.00 178.83 178.76 2k54 h LYS 11 N -0.76 0.45 -0.01 1.69 1.79 -1.40 -3.05 116.57 115.27 2k54 h LYS 11 Ca -0.05 -0.30 -0.14 0.00 -2.18 0.00 0.00 60.65 57.98 2k54 h LYS 11 Cb 0.52 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.19 2k54 h LYS 11 CO 0.09 0.92 -0.64 0.37 -1.08 0.00 0.00 179.45 179.10 2k54 h GLN 12 N 0.33 0.03 0.19 3.15 4.15 -1.14 -1.39 115.11 120.43 2k54 h GLN 12 Ca -0.01 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 2k54 h GLN 12 Cb 1.15 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.84 2k54 h GLN 12 CO 0.11 0.66 -0.09 1.25 -1.93 0.00 0.00 178.83 178.83 2k54 h LEU 13 N 0.02 -0.22 -0.62 -2.39 5.85 -1.30 -0.72 115.31 115.94 2k54 h LEU 13 Ca -0.01 -0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.73 2k54 h LEU 13 Cb 1.13 0.06 -0.08 0.00 0.37 0.00 0.00 40.66 42.15 2k54 h LEU 13 CO 0.09 -0.05 0.21 -0.33 -0.34 0.00 0.00 178.44 178.02 2k54 h GLU 14 N -0.38 0.37 -0.02 1.25 4.39 -1.43 -1.91 114.58 116.86 2k54 h GLU 14 Ca -0.03 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.60 2k54 h GLU 14 Cb 0.29 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2k54 h GLU 14 CO 0.04 0.25 -0.24 0.00 -1.16 0.00 0.00 179.01 177.90 2k54 h ALA 15 N 1.44 1.58 -0.16 3.43 0.00 -1.12 -0.89 119.26 123.53 2k54 h ALA 15 Ca 0.31 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2k54 h ALA 15 Cb 0.41 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 2k54 h ALA 15 CO -0.33 0.32 -0.11 -0.92 0.00 0.00 0.00 179.25 178.21 2k54 h TYR 16 N 0.03 0.42 0.00 0.00 3.20 -0.30 0.24 116.97 120.55 2k54 h TYR 16 Ca 0.00 -0.11 -0.10 0.00 3.14 0.00 0.00 58.73 61.66 2k54 h TYR 16 Cb 0.43 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 2k54 h TYR 16 CO 0.00 0.70 -0.79 -2.95 -1.64 0.00 0.00 178.16 173.49 2k54 h ASN 17 N 0.01 0.00 -0.13 -2.11 7.08 -1.44 -3.29 115.58 115.70 2k54 h ASN 17 Ca 0.03 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.25 2k54 h ASN 17 Cb 0.61 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.85 2k54 h ASN 17 CO 0.03 0.42 0.00 0.00 -2.08 0.00 0.00 177.43 175.80 2k54 n ALA 18 N -2.26 2.49 -1.18 4.14 0.00 -0.35 -4.96 120.51 118.40 2k54 n ALA 18 Ca -0.02 -0.66 -0.06 0.00 0.00 0.00 0.00 53.44 52.71 2k54 n ALA 18 Cb 0.73 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 19.17 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 0.85 -0.99 -2.41 0.00 5.12 -0.62 -4.95 116.66 113.65 2k54 n ARG 19 Ca 0.17 0.61 -0.39 0.00 -1.93 0.00 0.00 57.85 56.30 2k54 n ARG 19 Cb 0.48 -4.54 -0.03 0.00 -1.16 0.00 0.00 32.46 27.20 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 -2.44 5.98 0.35 0.55 1.01 -0.02 -4.84 116.67 117.26 2k54 s ASP 20 Ca 0.00 -0.58 0.06 0.00 0.71 0.00 0.00 52.55 52.74 2k54 s ASP 20 Cb 0.00 -2.56 0.66 0.00 1.01 0.00 0.00 42.92 42.03 2k54 s ASP 20 CO 0.00 -1.95 1.88 0.40 0.21 0.00 0.00 175.17 175.71 2k54 h ILE 21 N 6.50 1.19 -0.22 0.77 1.08 -1.93 -2.74 117.51 122.17 2k54 h ILE 21 Ca -0.12 -0.82 0.02 0.00 -0.39 0.00 0.00 64.86 63.55 2k54 h ILE 21 Cb 1.06 1.08 -0.02 0.00 -3.07 0.00 0.00 36.82 35.86 2k54 h ILE 21 CO 1.30 0.27 0.07 -0.78 -0.69 0.00 0.00 178.15 178.32 2k54 h ASP 22 N 0.39 0.07 1.01 1.72 1.82 -1.96 -0.33 116.42 119.15 2k54 h ASP 22 Ca 0.08 0.02 -0.20 0.00 -0.39 0.00 0.00 57.03 56.54 2k54 h ASP 22 Cb 0.37 0.02 -0.03 0.00 0.68 0.00 0.00 39.33 40.37 2k54 h ASP 22 CO 0.02 0.07 -0.97 0.00 -1.61 0.00 0.00 179.24 176.75 2k54 h ALA 23 N 1.14 0.38 0.00 -0.78 0.00 -1.95 0.65 119.26 118.71 2k54 h ALA 23 Ca 0.10 -0.88 0.00 0.00 0.00 0.00 0.00 54.91 54.13 2k54 h ALA 23 Cb 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2k54 h ALA 23 CO -0.10 1.21 0.00 0.34 0.00 0.00 0.00 179.25 180.70 2k54 n PHE 24 N -3.36 0.53 0.07 0.00 7.35 -0.99 -2.79 117.46 118.27 2k54 n PHE 24 Ca 0.00 0.21 0.02 0.00 -0.76 0.00 0.00 57.45 56.92 2k54 n PHE 24 Cb 0.92 -0.84 -0.03 0.00 0.35 0.00 0.00 39.48 39.88 2k54 n PHE 24 CO 0.00 0.00 0.00 -1.33 -0.76 0.00 0.00 176.76 174.67 2k54 n MET 25 N -1.98 2.61 -0.21 -4.13 2.81 -0.17 -4.77 117.12 111.28 2k54 n MET 25 Ca 0.02 -0.02 -0.07 0.00 -1.81 0.00 0.00 57.70 55.82 2k54 n MET 25 Cb 0.20 -0.91 0.03 0.00 -0.71 0.00 0.00 33.22 31.83 2k54 n MET 25 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2k54 h ALA 26 N 0.42 0.76 -0.06 3.04 0.00 -0.69 -3.02 119.26 119.70 2k54 h ALA 26 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2k54 h ALA 26 Cb 0.13 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2k54 h ALA 26 CO 0.00 0.34 0.00 0.91 0.00 0.00 0.00 179.25 180.50 2k54 n TRP 27 N -4.52 0.06 -3.73 0.00 7.02 -1.25 -4.91 117.44 110.11 2k54 n TRP 27 Ca 0.04 -0.03 -0.32 0.00 -1.02 0.00 0.00 57.50 56.16 2k54 n TRP 27 Cb 0.13 0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 28.98 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 -1.94 3.51 0.47 -5.99 0.52 -1.14 -0.88 118.94 113.49 2k54 s TRP 28 Ca 0.35 0.51 -0.21 0.00 0.02 0.00 0.00 56.10 56.77 2k54 s TRP 28 Cb 0.20 -1.96 -0.09 0.00 -1.15 0.00 0.00 33.47 30.48 2k54 s TRP 28 CO 0.31 0.50 1.04 0.00 0.02 0.00 0.00 176.95 178.83 2k54 s ALA 29 N -1.55 2.90 0.22 0.98 0.00 -0.51 -4.75 121.76 119.05 2k54 s ALA 29 Ca 0.37 0.63 0.34 0.00 0.00 0.00 0.00 51.96 53.30 2k54 s ALA 29 Cb -0.13 -3.26 1.51 0.00 0.00 0.00 0.00 23.12 21.24 2k54 s ALA 29 CO 0.23 -0.30 2.04 0.22 0.00 0.00 0.00 175.76 177.95 2k54 h ASP 30 N 1.69 0.00 -0.46 0.00 3.58 -1.95 -2.33 116.42 116.96 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 1.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.27 2k54 h ASP 30 CO 0.59 0.03 0.00 0.47 -2.88 0.00 0.00 179.24 177.46 2k54 n ASP 31 N -3.16 4.77 -4.70 2.28 8.00 -1.26 -1.51 116.55 120.96 2k54 n ASP 31 Ca -0.00 -2.85 -0.42 0.00 0.71 0.00 0.00 54.79 52.23 2k54 n ASP 31 Cb 0.27 -0.59 -0.03 0.00 -0.02 0.00 0.00 41.12 40.75 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 2.08 3.07 -0.34 0.00 -1.52 -1.19 -1.32 119.66 120.44 2k54 s GLN 33 Ca 0.75 -1.10 -0.14 0.00 -1.95 0.00 0.00 55.36 52.92 2k54 s GLN 33 Cb -0.44 -4.14 -0.01 0.00 -0.22 0.00 0.00 33.01 28.20 2k54 s GLN 33 CO 0.33 -1.21 0.32 -0.47 -0.25 0.00 0.00 175.29 174.01 2k54 s TYR 34 N 2.31 3.22 0.18 0.91 5.04 0.16 -1.85 117.35 127.32 2k54 s TYR 34 Ca 0.11 -0.09 0.09 0.00 -2.44 0.00 0.00 57.07 54.74 2k54 s TYR 34 Cb -0.22 -2.60 -0.04 0.00 0.35 0.00 0.00 41.96 39.45 2k54 s TYR 34 CO 0.09 -0.41 -0.10 0.71 -1.34 0.00 0.00 175.55 174.51 2k54 s TYR 35 N 1.91 2.62 0.19 4.97 1.51 -0.63 -1.66 117.35 126.25 2k54 s TYR 35 Ca 0.10 -0.23 0.06 0.00 -1.01 0.00 0.00 57.07 55.99 2k54 s TYR 35 Cb -0.17 -1.28 -0.04 0.00 -0.11 0.00 0.00 41.96 40.37 2k54 s TYR 35 CO 0.11 0.52 0.11 0.00 -1.11 0.00 0.00 175.55 175.18 2k54 s ALA 36 N -1.73 3.47 0.25 3.71 0.00 -0.36 -2.87 121.76 124.22 2k54 s ALA 36 Ca 0.25 -1.30 -0.31 0.00 0.00 0.00 0.00 51.96 50.60 2k54 s ALA 36 Cb -0.09 -1.24 -0.11 0.00 0.00 0.00 0.00 23.12 21.68 2k54 s ALA 36 CO 0.15 0.45 1.59 0.12 0.00 0.00 0.00 175.76 178.06 2k54 s PHE 37 N -1.84 2.88 -0.04 0.00 5.36 -0.52 -1.76 117.98 122.07 2k54 s PHE 37 Ca 0.30 0.71 -0.22 0.00 -0.96 0.00 0.00 56.93 56.77 2k54 s PHE 37 Cb -0.09 -4.01 -0.28 0.00 -0.34 0.00 0.00 43.02 38.29 2k54 s PHE 37 CO 0.22 -3.54 0.95 -1.00 -1.46 0.00 0.00 175.22 170.40 2k54 h PRO 38 N 5.60 0.29 -0.12 10.12 0.13 -1.99 -3.44 132.00 142.58 2k54 h PRO 38 Ca -0.45 -0.42 -0.24 0.00 -0.87 0.00 0.00 66.00 64.02 2k54 h PRO 38 Cb 1.21 0.14 -0.16 0.00 0.13 0.00 0.00 31.00 32.33 2k54 h PRO 38 CO 0.84 1.15 -0.52 0.00 -0.23 0.00 0.00 178.00 179.25 2k54 n ALA 39 N -2.63 -1.03 -3.00 -0.56 0.00 -0.88 -5.05 120.51 107.36 2k54 n ALA 39 Ca -0.12 -1.54 -0.38 0.00 0.00 0.00 0.00 53.44 51.40 2k54 n ALA 39 Cb 0.72 -1.26 -0.12 0.00 0.00 0.00 0.00 19.45 18.79 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 0.45 4.34 -0.58 0.00 2.01 -0.72 -4.95 115.64 116.19 2k54 s THR 40 Ca 0.30 -0.50 -0.28 0.00 0.31 0.00 0.00 61.69 61.53 2k54 s THR 40 Cb 0.24 -3.20 0.01 0.00 0.01 0.00 0.00 72.50 69.56 2k54 s THR 40 CO -0.19 0.10 1.49 -0.22 -0.69 0.00 0.00 174.62 175.11 2k54 s LEU 41 N 1.57 3.36 0.09 4.42 2.96 -1.26 -1.23 118.68 128.60 2k54 s LEU 41 Ca 0.04 0.26 -0.07 0.00 -0.22 0.00 0.00 54.13 54.14 2k54 s LEU 41 Cb -0.17 -2.93 -0.21 0.00 0.50 0.00 0.00 46.19 43.39 2k54 s LEU 41 CO 0.05 -1.84 1.20 -0.07 -1.32 0.00 0.00 176.35 174.37 2k54 h LEU 42 N 13.67 0.58 -7.04 -0.68 4.07 -1.67 -3.46 115.31 120.77 2k54 h LEU 42 Ca -0.27 -0.53 0.02 0.00 0.08 0.00 0.00 57.88 57.17 2k54 h LEU 42 Cb 1.10 -0.18 -0.22 0.00 1.08 0.00 0.00 40.66 42.44 2k54 h LEU 42 CO 1.19 1.36 -0.17 0.00 -1.08 0.00 0.00 178.44 179.75 2k54 s ALA 43 N -2.98 -1.76 -0.37 1.53 0.00 -1.08 -4.89 121.76 112.21 2k54 s ALA 43 Ca -0.06 2.12 0.07 0.00 0.00 0.00 0.00 51.96 54.09 2k54 s ALA 43 Cb 0.07 -1.57 0.61 0.00 0.00 0.00 0.00 23.12 22.24 2k54 s ALA 43 CO 0.89 -0.76 1.68 0.41 0.00 0.00 0.00 175.76 177.98 2k54 n GLY 44 N 5.18 3.56 0.00 0.00 0.00 -1.26 -0.67 105.19 112.00 2k54 n GLY 44 Ca -0.13 -0.86 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.32 0.00 -0.02 1.61 0.23 -0.43 -4.56 115.26 111.76 2k54 n ASN 45 Ca 0.40 0.00 0.06 0.00 -0.53 0.00 0.00 54.58 54.51 2k54 n ASN 45 Cb 1.31 0.00 0.44 0.00 -2.08 0.00 0.00 39.78 39.46 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 1.78 -0.52 -2.53 0.00 -1.41 -2.58 119.26 114.00 2k54 h ALA 46 Ca 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2k54 h ALA 46 Cb 0.00 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2k54 h ALA 46 CO 0.00 0.16 0.29 0.00 0.00 0.00 0.00 179.25 179.70 2k54 h ALA 47 N 1.73 0.67 -0.00 0.00 0.00 -1.92 -1.26 119.26 118.47 2k54 h ALA 47 Ca 0.19 -0.09 -0.17 0.00 0.00 0.00 0.00 54.91 54.84 2k54 h ALA 47 Cb 0.10 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2k54 h ALA 47 CO -0.05 0.19 -0.78 0.93 0.00 0.00 0.00 179.25 179.54 2k54 h GLU 48 N 0.70 0.00 -0.73 0.00 5.08 -1.88 -2.98 114.58 114.77 2k54 h GLU 48 Ca 0.18 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 2k54 h GLU 48 Cb 0.05 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 2k54 h GLU 48 CO -0.03 0.79 0.28 0.82 -1.00 0.00 0.00 179.01 179.87 2k54 h ILE 49 N 0.00 1.25 0.27 3.13 2.04 -1.09 -1.26 117.51 121.84 2k54 h ILE 49 Ca -0.01 -0.80 0.01 0.00 1.00 0.00 0.00 64.86 65.05 2k54 h ILE 49 Cb 1.39 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.85 2k54 h ILE 49 CO 0.10 0.32 -0.33 -0.09 0.00 0.00 0.00 178.15 178.15 2k54 h ARG 50 N 1.06 -0.63 -0.49 2.37 2.43 -1.18 -1.96 114.38 115.98 2k54 h ARG 50 Ca 0.24 0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.43 2k54 h ARG 50 Cb 0.22 0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 2k54 h ARG 50 CO -0.02 -0.42 0.21 0.28 -1.51 0.00 0.00 179.97 178.51 2k54 h VAL 51 N -0.65 1.21 -0.72 0.20 2.07 -1.38 0.93 116.25 117.91 2k54 h VAL 51 Ca -0.00 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 2k54 h VAL 51 Cb 0.62 0.71 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 2k54 h VAL 51 CO -0.11 0.24 0.44 -0.09 0.02 0.00 0.00 177.57 178.08 2k54 h ARG 52 N 0.65 0.97 0.00 1.57 9.65 -1.22 -2.61 114.38 123.39 2k54 h ARG 52 Ca 0.17 -0.08 -0.14 0.00 -1.10 0.00 0.00 59.98 58.83 2k54 h ARG 52 Cb 0.18 -0.21 -0.02 0.00 -1.39 0.00 0.00 29.97 28.53 2k54 h ARG 52 CO -0.02 0.67 -0.64 0.45 2.80 0.00 0.00 179.97 183.23 2k54 h HIS 53 N 0.98 0.00 -0.71 2.20 3.86 -1.01 -3.10 115.15 117.36 2k54 h HIS 53 Ca 0.26 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.52 2k54 h HIS 53 Cb -0.05 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.36 2k54 h HIS 53 CO -0.01 0.64 0.42 0.82 0.86 0.00 0.00 177.93 180.66 2k54 h ILE 54 N 0.00 1.02 -0.41 2.45 2.04 -0.45 0.30 117.51 122.46 2k54 h ILE 54 Ca -0.01 -0.27 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 2k54 h ILE 54 Cb 1.44 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 2k54 h ILE 54 CO 0.08 0.14 0.14 -0.33 0.00 0.00 0.00 178.15 178.18 2k54 h GLU 55 N 0.79 0.58 0.00 2.37 5.08 -1.49 -0.03 114.58 121.88 2k54 h GLU 55 Ca 0.31 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.49 2k54 h GLU 55 Cb 0.14 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2k54 h GLU 55 CO -0.16 0.51 -0.45 -0.09 -1.00 0.00 0.00 179.01 177.81 2k54 h ARG 56 N 0.58 0.00 0.00 2.33 9.65 -1.27 -3.17 114.38 122.50 2k54 h ARG 56 Ca 0.14 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.02 2k54 h ARG 56 Cb 0.16 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.74 2k54 h ARG 56 CO -0.01 0.45 -0.29 1.19 2.80 0.00 0.00 179.97 184.11 2k54 n PHE 57 N -3.30 0.66 0.27 2.20 3.01 0.99 -2.93 117.46 118.37 2k54 n PHE 57 Ca 0.01 0.19 0.16 0.00 1.01 0.00 0.00 57.45 58.83 2k54 n PHE 57 Cb 0.67 -0.75 0.69 0.00 -0.01 0.00 0.00 39.48 40.07 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 -6.20 -1.08 1.79 -1.02 -3.43 116.57 106.63 2k54 h LYS 58 Ca 0.00 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.90 2k54 h LYS 58 Cb 0.71 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.36 2k54 h LYS 58 CO 0.00 0.05 1.29 -2.00 -1.08 0.00 0.00 179.45 177.71 2k54 s GLU 59 N -3.75 3.63 0.48 3.15 2.56 -1.15 -4.90 118.70 118.72 2k54 s GLU 59 Ca 0.00 2.02 0.28 0.00 0.00 0.00 0.00 54.97 57.27 2k54 s GLU 59 Cb 0.10 -4.20 1.04 0.00 2.00 0.00 0.00 34.13 33.08 2k54 s GLU 59 CO 0.55 -1.52 1.87 -1.00 -0.56 0.00 0.00 175.26 174.60 2k54 h PRO 60 N 12.32 0.00 -0.38 4.30 0.13 -1.90 -3.01 132.00 143.45 2k54 h PRO 60 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2k54 h PRO 60 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2k54 h PRO 60 CO 0.97 0.12 0.00 -0.25 -0.23 0.00 0.00 178.00 178.62 2k54 n ASP 61 N -3.25 2.69 -4.61 1.44 9.92 -1.26 -4.90 116.55 116.57 2k54 n ASP 61 Ca 0.01 -1.92 -0.43 0.00 -0.53 0.00 0.00 54.79 51.92 2k54 n ASP 61 Cb 0.39 -0.25 -0.03 0.00 -0.64 0.00 0.00 41.12 40.59 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 -1.31 3.69 -0.14 0.64 2.96 -1.14 -4.51 118.68 118.87 2k54 s LEU 62 Ca 0.36 1.58 -0.04 0.00 -0.22 0.00 0.00 54.13 55.81 2k54 s LEU 62 Cb 0.19 -3.53 0.07 0.00 0.50 0.00 0.00 46.19 43.42 2k54 s LEU 62 CO 0.27 -1.54 0.19 -0.47 -1.32 0.00 0.00 176.35 173.47 2k54 s TYR 63 N 6.34 -0.22 -0.52 5.38 5.04 -1.26 -4.92 117.35 127.20 2k54 s TYR 63 Ca 0.80 0.46 -0.15 0.00 -2.44 0.00 0.00 57.07 55.75 2k54 s TYR 63 Cb -0.26 -0.30 0.12 0.00 0.35 0.00 0.00 41.96 41.87 2k54 s TYR 63 CO 0.33 -0.41 0.46 0.20 -1.34 0.00 0.00 175.55 174.78 2k54 s GLY 64 N 2.31 2.07 -0.63 8.97 0.00 -1.26 -1.53 107.32 117.26 2k54 s GLY 64 Ca 0.04 -2.48 -0.23 0.00 0.00 0.00 0.00 44.72 42.05 2k54 s GLY 64 CO -0.08 1.16 0.94 1.85 0.00 0.00 0.00 173.10 176.97 2k54 s GLU 65 N 1.56 3.16 -0.27 2.90 2.12 -0.84 -4.85 118.70 122.49 2k54 s GLU 65 Ca 0.04 -0.71 -0.29 0.00 0.36 0.00 0.00 54.97 54.36 2k54 s GLU 65 Cb -0.29 -4.18 -0.00 0.00 0.26 0.00 0.00 34.13 29.92 2k54 s GLU 65 CO 0.03 -1.72 1.31 -1.17 -0.54 0.00 0.00 175.26 173.17 2k54 s LEU 66 N 3.97 3.94 -0.16 2.70 0.20 -1.26 -1.27 118.68 126.80 2k54 s LEU 66 Ca 0.23 1.33 0.09 0.00 0.69 0.00 0.00 54.13 56.47 2k54 s LEU 66 Cb -0.16 -3.54 -0.16 0.00 -0.43 0.00 0.00 46.19 41.90 2k54 s LEU 66 CO 0.12 -1.03 -0.02 0.00 -0.29 0.00 0.00 176.35 175.13 2k54 n LEU 67 N 7.49 1.03 -3.86 -0.68 -0.00 -0.85 -4.98 117.00 115.14 2k54 n LEU 67 Ca 0.15 -0.04 -0.13 0.00 -0.00 0.00 0.00 56.01 56.00 2k54 n LEU 67 Cb 0.46 0.01 -0.14 0.00 -0.00 0.00 0.00 43.42 43.75 2k54 n LEU 67 CO 0.62 0.52 -0.36 -0.89 -0.00 0.00 0.00 177.39 177.28 2k54 s THR 68 N -2.37 0.01 -0.05 1.47 2.01 -1.11 -5.08 115.64 110.53 2k54 s THR 68 Ca -0.14 0.02 -0.03 0.00 0.31 0.00 0.00 61.69 61.86 2k54 s THR 68 Cb 0.05 -0.04 0.03 0.00 0.01 0.00 0.00 72.50 72.55 2k54 s THR 68 CO 0.55 0.02 0.12 0.00 -0.69 0.00 0.00 174.62 174.62 2k54 s ARG 69 N 0.15 0.09 0.16 4.92 1.70 -1.26 -0.80 118.95 123.91 2k54 s ARG 69 Ca -0.01 0.27 0.08 0.00 -0.47 0.00 0.00 55.73 55.59 2k54 s ARG 69 Cb -0.02 -0.10 -0.04 0.00 -0.57 0.00 0.00 34.95 34.22 2k54 s ARG 69 CO -0.00 -0.11 -0.16 0.14 -1.08 0.00 0.00 175.30 174.08 2k54 s VAL 70 N 0.74 1.65 -0.00 4.99 -7.23 -0.58 -5.02 120.40 114.95 2k54 s VAL 70 Ca -0.06 -1.90 0.01 0.00 -1.81 0.00 0.00 61.98 58.23 2k54 s VAL 70 Cb -0.08 -1.78 -0.00 0.00 0.56 0.00 0.00 36.38 35.09 2k54 s VAL 70 CO -0.03 -0.39 -0.03 -0.51 -0.31 0.00 0.00 175.10 173.83 2k54 s ILE 71 N -2.21 0.23 -0.22 -0.62 2.07 -1.26 -1.03 121.20 118.15 2k54 s ILE 71 Ca 0.15 -0.15 -0.03 0.00 -1.41 0.00 0.00 60.65 59.20 2k54 s ILE 71 Cb -0.05 -0.21 0.10 0.00 0.13 0.00 0.00 42.46 42.43 2k54 s ILE 71 CO 0.05 0.05 0.21 0.54 -1.91 0.00 0.00 174.94 173.89 2k54 s VAL 72 N -0.11 -0.29 0.00 4.00 0.11 -0.49 -5.03 120.40 118.58 2k54 s VAL 72 Ca 0.01 -0.25 0.00 0.00 -2.93 0.00 0.00 61.98 58.80 2k54 s VAL 72 Cb -0.01 -0.75 0.00 0.00 -1.53 0.00 0.00 36.38 34.08 2k54 s VAL 72 CO -0.00 -0.31 0.00 0.61 -3.33 0.00 0.00 175.10 172.07 2k54 n GLY 73 N 5.31 3.73 1.83 6.54 0.00 -1.26 -2.02 105.19 119.32 2k54 n GLY 73 Ca -0.05 0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.08 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 9.19 5.50 -4.13 1.61 6.94 -1.26 -4.84 115.26 128.28 2k54 n ASN 74 Ca 0.00 -2.81 -0.25 0.00 -0.02 0.00 0.00 54.58 51.50 2k54 n ASN 74 Cb 0.00 -0.66 -0.16 0.00 -2.36 0.00 0.00 39.78 36.60 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 -2.54 1.36 -0.03 3.53 1.01 -0.85 -0.74 120.40 122.13 2k54 s VAL 75 Ca 0.54 -0.69 0.06 0.00 0.00 0.00 0.00 61.98 61.88 2k54 s VAL 75 Cb 0.39 -1.16 -0.01 0.00 0.00 0.00 0.00 36.38 35.61 2k54 s VAL 75 CO 0.18 0.39 -0.21 -0.69 0.00 0.00 0.00 175.10 174.77 2k54 s VAL 76 N -0.08 1.67 -0.51 2.92 1.01 -0.93 -1.40 120.40 123.07 2k54 s VAL 76 Ca -0.01 -0.87 -0.17 0.00 0.00 0.00 0.00 61.98 60.93 2k54 s VAL 76 Cb -0.10 -1.41 0.08 0.00 0.00 0.00 0.00 36.38 34.96 2k54 s VAL 76 CO 0.01 0.47 0.50 -0.63 0.00 0.00 0.00 175.10 175.46 2k54 s ILE 77 N -0.23 5.10 -0.46 2.22 -1.09 -0.20 -2.04 121.20 124.49 2k54 s ILE 77 Ca 0.01 -1.00 -0.14 0.00 -2.23 0.00 0.00 60.65 57.29 2k54 s ILE 77 Cb -0.11 -4.25 0.07 0.00 -1.58 0.00 0.00 42.46 36.60 2k54 s ILE 77 CO 0.01 -0.75 0.37 1.51 -1.23 0.00 0.00 174.94 174.85 2k54 s ASP 78 N 2.92 6.06 -0.36 3.58 -4.77 0.11 -1.52 116.67 122.68 2k54 s ASP 78 Ca 0.07 -1.34 -0.14 0.00 -3.30 0.00 0.00 52.55 47.85 2k54 s ASP 78 Cb -0.24 -2.15 -0.01 0.00 -1.09 0.00 0.00 42.92 39.44 2k54 s ASP 78 CO 0.07 -0.62 0.27 -2.28 0.70 0.00 0.00 175.17 173.31 2k54 s HIS 79 N 1.61 3.23 0.13 2.11 2.46 0.02 -1.44 115.29 123.41 2k54 s HIS 79 Ca 0.04 -0.31 0.07 0.00 0.47 0.00 0.00 55.06 55.32 2k54 s HIS 79 Cb -0.24 -2.53 -0.04 0.00 -0.13 0.00 0.00 32.58 29.65 2k54 s HIS 79 CO 0.06 -0.44 -0.16 -1.83 -2.47 0.00 0.00 174.74 169.91 2k54 s GLU 80 N 1.73 1.09 -0.38 2.88 4.04 -0.68 -2.02 118.70 125.36 2k54 s GLU 80 Ca 0.06 -1.26 -0.14 0.00 0.04 0.00 0.00 54.97 53.67 2k54 s GLU 80 Cb -0.18 -1.05 0.01 0.00 0.02 0.00 0.00 34.13 32.93 2k54 s GLU 80 CO 0.10 0.21 0.27 0.99 -1.84 0.00 0.00 175.26 175.00 2k54 s THR 81 N -1.99 5.20 -0.34 1.83 2.01 -0.39 -0.95 115.64 121.01 2k54 s THR 81 Ca 0.10 -0.54 -0.28 0.00 0.31 0.00 0.00 61.69 61.27 2k54 s THR 81 Cb -0.06 -3.82 0.02 0.00 0.01 0.00 0.00 72.50 68.65 2k54 s THR 81 CO 0.04 -0.21 1.04 -0.69 -0.69 0.00 0.00 174.62 174.11 2k54 s VAL 82 N 1.68 4.51 -0.17 3.82 1.01 0.27 -1.98 120.40 129.55 2k54 s VAL 82 Ca 0.05 1.58 -0.29 0.00 0.00 0.00 0.00 61.98 63.31 2k54 s VAL 82 Cb -0.19 -4.41 -0.01 0.00 0.00 0.00 0.00 36.38 31.78 2k54 s VAL 82 CO 0.10 -0.53 1.13 -0.89 0.00 0.00 0.00 175.10 174.91 2k54 s THR 83 N 3.67 4.51 0.35 3.92 2.01 -0.58 -0.80 115.64 128.72 2k54 s THR 83 Ca 0.44 1.81 0.01 0.00 0.31 0.00 0.00 61.69 64.26 2k54 s THR 83 Cb -0.12 -4.17 -0.00 0.00 0.01 0.00 0.00 72.50 68.22 2k54 s THR 83 CO 0.17 -0.11 0.03 0.54 -0.69 0.00 0.00 174.62 174.56 2k54 n ARG 84 N 6.07 0.98 -3.89 4.92 1.74 -0.72 -4.30 116.66 121.46 2k54 n ARG 84 Ca 0.12 -2.68 -0.34 0.00 -0.77 0.00 0.00 57.85 54.18 2k54 n ARG 84 Cb 0.46 0.91 -0.13 0.00 -1.02 0.00 0.00 32.46 32.68 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 -3.00 4.97 -0.08 0.55 -0.87 -1.26 -3.86 114.94 111.39 2k54 s ASN 85 Ca 0.04 -1.79 -0.00 0.00 -1.57 0.00 0.00 52.86 49.54 2k54 s ASN 85 Cb 0.00 -1.73 -0.03 0.00 -0.02 0.00 0.00 41.25 39.48 2k54 s ASN 85 CO 0.03 -0.40 -0.05 -0.36 -2.57 0.00 0.00 177.10 173.76 2k54 s PHE 86 N 1.11 3.00 0.12 2.20 0.08 -0.82 -4.96 117.98 118.72 2k54 s PHE 86 Ca 0.04 0.02 0.33 0.00 0.12 0.00 0.00 56.93 57.43 2k54 s PHE 86 Cb -0.21 -1.76 1.63 0.00 -0.57 0.00 0.00 43.02 42.12 2k54 s PHE 86 CO -0.04 0.31 1.99 -1.00 -0.10 0.00 0.00 175.22 176.38 2k54 h PRO 87 N 5.42 0.00 0.00 0.24 0.13 -1.99 -2.42 132.00 133.38 2k54 h PRO 87 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2k54 h PRO 87 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2k54 h PRO 87 CO 0.54 0.00 -0.16 -0.85 -0.23 0.00 0.00 178.00 177.30 2k54 n GLU 88 N -2.71 0.05 0.00 0.86 0.00 -1.26 -5.00 120.64 112.57 2k54 n GLU 88 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 57.16 57.18 2k54 n GLU 88 Cb 0.13 -1.55 0.00 0.00 0.00 0.00 0.00 31.44 30.02 2k54 n GLU 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2k54 n GLY 89 N 1.47 -0.38 0.00 -1.84 0.00 -0.91 -4.93 105.19 98.60 2k54 n GLY 89 Ca 0.06 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.39 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 -4.33 118.16 117.18 2k54 n LYS 90 Ca 0.00 0.17 0.00 0.00 -0.00 0.00 0.00 58.31 58.48 2k54 n LYS 90 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 35.03 34.03 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 0.33 1.89 3.58 3.14 0.00 -1.25 -1.95 105.19 110.93 2k54 n GLY 91 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.27 3.77 -0.14 1.61 -1.05 -0.91 -1.76 118.70 119.94 2k54 s GLU 92 Ca 0.00 0.13 -0.06 0.00 -0.15 0.00 0.00 54.97 54.89 2k54 s GLU 92 Cb 0.00 -3.77 -0.04 0.00 -0.44 0.00 0.00 34.13 29.88 2k54 s GLU 92 CO 0.00 -0.64 0.06 0.14 0.95 0.00 0.00 175.26 175.76 2k54 s VAL 93 N 2.61 4.76 0.28 1.83 -7.23 0.02 -1.72 120.40 120.96 2k54 s VAL 93 Ca 0.24 -0.06 -0.25 0.00 -1.81 0.00 0.00 61.98 60.10 2k54 s VAL 93 Cb -0.15 -3.09 -0.09 0.00 0.56 0.00 0.00 36.38 33.61 2k54 s VAL 93 CO 0.13 0.53 0.88 1.51 -0.31 0.00 0.00 175.10 177.84 2k54 s ASP 94 N -0.23 7.29 -0.01 4.85 -4.77 -1.15 -0.56 116.67 122.10 2k54 s ASP 94 Ca 0.08 1.72 -0.02 0.00 -3.30 0.00 0.00 52.55 51.03 2k54 s ASP 94 Cb -0.12 -2.53 -0.00 0.00 -1.09 0.00 0.00 42.92 39.17 2k54 s ASP 94 CO 0.01 -0.01 0.04 -0.69 0.70 0.00 0.00 175.17 175.23 2k54 s VAL 95 N -1.53 0.04 -0.39 2.11 1.01 -0.12 -0.45 120.40 121.06 2k54 s VAL 95 Ca 0.47 -0.31 -0.10 0.00 0.00 0.00 0.00 61.98 62.04 2k54 s VAL 95 Cb -0.19 -0.17 0.05 0.00 0.00 0.00 0.00 36.38 36.08 2k54 s VAL 95 CO 0.24 -0.17 0.23 0.00 0.00 0.00 0.00 175.10 175.39 2k54 s ALA 96 N -0.50 3.26 -0.04 5.51 0.00 -0.20 -1.68 121.76 128.11 2k54 s ALA 96 Ca -0.06 -1.94 -0.14 0.00 0.00 0.00 0.00 51.96 49.83 2k54 s ALA 96 Cb -0.04 -2.60 -0.05 0.00 0.00 0.00 0.00 23.12 20.43 2k54 s ALA 96 CO -0.00 -1.52 0.37 0.00 0.00 0.00 0.00 175.76 174.62 2k54 s ILE 98 N -0.76 0.85 -0.08 0.00 -1.16 -0.28 -0.71 121.20 119.06 2k54 s ILE 98 Ca 0.22 -0.19 -0.01 0.00 -0.51 0.00 0.00 60.65 60.16 2k54 s ILE 98 Cb -0.16 -0.90 -0.03 0.00 0.61 0.00 0.00 42.46 41.99 2k54 s ILE 98 CO 0.11 0.33 -0.04 -0.31 -2.81 0.00 0.00 174.94 172.23 2k54 s TYR 99 N 1.65 3.03 -0.36 3.50 2.02 -0.86 -1.53 117.35 124.79 2k54 s TYR 99 Ca 0.03 0.06 -0.11 0.00 -0.37 0.00 0.00 57.07 56.68 2k54 s TYR 99 Cb -0.13 -1.76 0.02 0.00 -0.40 0.00 0.00 41.96 39.69 2k54 s TYR 99 CO -0.06 0.35 0.19 -2.00 -1.57 0.00 0.00 175.55 172.47 2k54 s GLU 100 N -0.73 2.92 -0.41 -0.62 2.12 -0.63 -2.20 118.70 119.14 2k54 s GLU 100 Ca 0.11 -1.01 -0.17 0.00 0.36 0.00 0.00 54.97 54.25 2k54 s GLU 100 Cb -0.11 -3.70 0.02 0.00 0.26 0.00 0.00 34.13 30.60 2k54 s GLU 100 CO 0.02 -0.65 0.46 0.08 -0.54 0.00 0.00 175.26 174.63 2k54 s VAL 101 N 1.56 5.06 -0.16 3.70 1.01 0.08 -0.89 120.40 130.77 2k54 s VAL 101 Ca 0.02 -0.24 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 2k54 s VAL 101 Cb -0.19 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.14 2k54 s VAL 101 CO 0.06 -0.41 -0.07 -0.70 0.00 0.00 0.00 175.10 173.99 2k54 s GLU 102 N 2.21 3.54 -1.53 2.72 2.12 0.84 -4.64 118.70 123.96 2k54 s GLU 102 Ca 0.13 -0.59 -0.00 0.00 0.36 0.00 0.00 54.97 54.87 2k54 s GLU 102 Cb -0.17 -2.84 0.00 0.00 0.26 0.00 0.00 34.13 31.38 2k54 s GLU 102 CO 0.14 0.17 0.04 0.09 -0.54 0.00 0.00 175.26 175.16 2k54 n ASN 103 N 3.72 -5.28 0.00 -1.70 3.02 -1.26 -1.73 115.26 112.03 2k54 n ASN 103 Ca -0.18 -0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 2k54 n ASN 103 Cb 0.52 -4.33 0.00 0.00 -0.61 0.00 0.00 39.78 35.36 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 0.46 3.07 7.41 0.00 -1.26 -5.03 105.19 108.78 2k54 n GLY 104 Ca -0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.16 1.40 -0.52 1.61 1.81 -0.71 -4.90 118.95 117.48 2k54 s ARG 105 Ca 0.00 -0.45 -0.26 0.00 -1.72 0.00 0.00 55.73 53.29 2k54 s ARG 105 Cb 0.00 -1.24 -0.05 0.00 -0.45 0.00 0.00 34.95 33.21 2k54 s ARG 105 CO 0.00 0.17 2.21 0.42 -0.68 0.00 0.00 175.30 177.41 2k54 s ILE 106 N 0.16 3.13 0.16 1.52 1.01 -0.06 -0.11 121.20 127.02 2k54 s ILE 106 Ca -0.04 0.08 0.04 0.00 0.00 0.00 0.00 60.65 60.73 2k54 s ILE 106 Cb -0.10 -3.34 -0.15 0.00 0.01 0.00 0.00 42.46 38.88 2k54 s ILE 106 CO 0.01 -0.32 1.37 0.00 0.00 0.00 0.00 174.94 176.01 2k54 h ALA 107 N 17.72 0.52 -2.48 9.38 0.00 -1.28 -1.36 119.26 141.77 2k54 h ALA 107 Ca -0.26 -0.75 -0.08 0.00 0.00 0.00 0.00 54.91 53.83 2k54 h ALA 107 Cb 1.23 -0.09 -0.17 0.00 0.00 0.00 0.00 17.79 18.76 2k54 h ALA 107 CO 1.17 0.97 -0.08 0.15 0.00 0.00 0.00 179.25 181.46 2k54 s LYS 108 N -3.13 0.92 -0.11 0.00 1.02 -1.17 -3.18 119.74 114.10 2k54 s LYS 108 Ca -0.02 -0.27 -0.08 0.00 0.02 0.00 0.00 55.97 55.62 2k54 s LYS 108 Cb 0.10 0.42 0.04 0.00 -0.52 0.00 0.00 37.83 37.87 2k54 s LYS 108 CO 0.82 -0.31 0.28 0.00 -0.92 0.00 0.00 175.35 175.22 2k54 s ALA 109 N -2.23 -0.69 0.08 5.17 0.00 -0.77 -1.61 121.76 121.70 2k54 s ALA 109 Ca -0.07 0.95 0.03 0.00 0.00 0.00 0.00 51.96 52.88 2k54 s ALA 109 Cb -0.01 -0.58 -0.03 0.00 0.00 0.00 0.00 23.12 22.50 2k54 s ALA 109 CO -0.00 -0.17 -0.09 -1.58 0.00 0.00 0.00 175.76 173.91 2k54 s TRP 110 N 0.69 0.92 -0.00 0.00 0.51 -0.58 -1.60 118.94 118.87 2k54 s TRP 110 Ca -0.04 -0.63 -0.04 0.00 -2.12 0.00 0.00 56.10 53.27 2k54 s TRP 110 Cb -0.06 -0.52 -0.00 0.00 -0.81 0.00 0.00 33.47 32.08 2k54 s TRP 110 CO -0.04 -0.05 0.07 -0.59 -0.51 0.00 0.00 176.95 175.83 2k54 s PHE 111 N -2.20 0.07 -0.08 -1.98 -0.71 -1.14 -1.12 117.98 110.83 2k54 s PHE 111 Ca 0.01 -0.16 0.00 0.00 -1.04 0.00 0.00 56.93 55.74 2k54 s PHE 111 Cb -0.04 -0.07 0.02 0.00 -1.21 0.00 0.00 43.02 41.72 2k54 s PHE 111 CO -0.00 -0.19 -0.06 -1.59 -1.34 0.00 0.00 175.22 172.03 2k54 s LYS 112 N -1.03 1.21 -0.13 1.99 -2.85 -0.65 -1.44 119.74 116.84 2k54 s LYS 112 Ca -0.11 -0.17 -0.21 0.00 -1.00 0.00 0.00 55.97 54.48 2k54 s LYS 112 Cb -0.07 -1.26 -0.03 0.00 -2.06 0.00 0.00 37.83 34.41 2k54 s LYS 112 CO 0.00 -0.18 0.61 0.42 0.10 0.00 0.00 175.35 176.30 2k54 s ILE 113 N 1.41 5.08 0.00 3.79 1.01 -1.26 -1.03 121.20 130.19 2k54 s ILE 113 Ca -0.02 1.20 0.00 0.00 0.00 0.00 0.00 60.65 61.83 2k54 s ILE 113 Cb -0.13 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.40 2k54 s ILE 113 CO -0.04 0.22 0.41 0.61 0.00 0.00 0.00 174.94 176.14 2k54 n GLY 114 N 3.43 -2.59 3.85 6.18 0.00 0.41 -4.97 105.19 111.50 2k54 n GLY 114 Ca -0.03 0.00 -0.07 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 -0.83 1.85 0.20 1.61 1.03 -1.25 -5.03 118.70 116.28 2k54 s GLU 115 Ca 0.00 -1.06 -0.31 0.00 0.03 0.00 0.00 54.97 53.63 2k54 s GLU 115 Cb 0.00 0.61 -0.10 0.00 -0.80 0.00 0.00 34.13 33.83 2k54 s GLU 115 CO 0.00 -0.85 1.57 -1.25 -1.33 0.00 0.00 175.26 173.40 2k54 s PRO 116 N -3.62 4.20 -0.03 -4.83 0.04 -1.26 -2.93 135.00 126.58 2k54 s PRO 116 Ca 0.12 2.41 0.07 0.00 0.04 0.00 0.00 61.00 63.64 2k54 s PRO 116 Cb -0.06 -3.12 -0.02 0.00 0.04 0.00 0.00 34.50 31.34 2k54 s PRO 116 CO 0.08 -0.60 -0.23 1.03 0.04 0.00 0.00 177.00 177.32 2k54 s ARG 117 N 0.71 2.25 -0.05 4.56 0.52 -0.70 -4.97 118.95 121.26 2k54 s ARG 117 Ca 0.68 -0.87 0.05 0.00 -0.52 0.00 0.00 55.73 55.07 2k54 s ARG 117 Cb -0.45 -2.13 -0.01 0.00 0.52 0.00 0.00 34.95 32.88 2k54 s ARG 117 CO 0.35 0.56 -0.22 0.42 0.02 0.00 0.00 175.30 176.43 2k54 s ILE 118 N -0.60 1.84 0.09 1.52 -1.09 -1.26 -2.15 121.20 119.55 2k54 s ILE 118 Ca 0.09 -0.95 -0.17 0.00 -2.23 0.00 0.00 60.65 57.40 2k54 s ILE 118 Cb -0.10 -1.57 -0.08 0.00 -1.58 0.00 0.00 42.46 39.13 2k54 s ILE 118 CO -0.00 0.52 1.47 0.58 -1.23 0.00 0.00 174.94 176.27 2k54 h VAL 119 N 5.16 1.29 0.00 2.92 2.07 -1.95 -3.06 116.25 122.68 2k54 h VAL 119 Ca -0.32 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.05 2k54 h VAL 119 Cb 1.18 1.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 2k54 h VAL 119 CO 0.47 0.37 0.00 -1.54 0.02 0.00 0.00 177.57 176.89 2k54 n SER 120 N -4.48 0.00 0.08 0.57 3.41 -1.26 -3.18 113.62 108.77 2k54 n SER 120 Ca -0.03 -1.30 0.12 0.00 -0.26 0.00 0.00 58.87 57.39 2k54 n SER 120 Cb 0.34 0.00 0.45 0.00 -0.26 0.00 0.00 64.21 64.74 2k54 n SER 120 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2k54 n GLN 121 N -0.76 0.16 -1.97 4.33 7.27 -1.16 -4.87 117.38 120.38 2k54 n GLN 121 Ca 0.11 0.26 -0.33 0.00 0.07 0.00 0.00 57.00 57.11 2k54 n GLN 121 Cb 0.05 -1.74 0.02 0.00 2.41 0.00 0.00 30.24 30.98 2k54 n GLN 121 CO 0.00 0.00 0.00 0.15 0.07 0.00 0.00 177.06 177.28 2k54 s LYS 122 N -3.15 3.13 0.00 3.69 1.02 -1.19 -5.12 119.74 118.13 2k54 s LYS 122 Ca 0.08 1.33 0.00 0.00 0.02 0.00 0.00 55.97 57.40 2k54 s LYS 122 Cb 0.12 -2.00 0.00 0.00 -0.52 0.00 0.00 37.83 35.43 2k54 s LYS 122 CO 0.46 -0.98 0.00 0.45 -0.92 0.00 0.00 175.35 174.37