#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k54 n ASN 2 N 0.00 4.50 0.07 6.12 4.13 -1.26 -4.76 115.26 124.06 2k54 n ASN 2 Ca 0.00 -2.94 -0.02 0.00 1.68 0.00 0.00 54.58 53.30 2k54 n ASN 2 Cb 0.00 -1.62 0.25 0.00 -1.54 0.00 0.00 39.78 36.87 2k54 n ASN 2 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 2k54 h SER 3 N 6.30 0.34 0.24 6.41 0.02 -2.00 -2.49 113.55 122.37 2k54 h SER 3 Ca 0.48 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.31 2k54 h SER 3 Cb 0.70 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.14 2k54 h SER 3 CO 1.69 0.63 0.00 -1.84 -1.14 0.00 0.00 176.83 176.17 2k54 n GLU 4 N -4.11 0.04 -0.09 3.45 0.28 -1.26 -1.65 120.64 117.30 2k54 n GLU 4 Ca -0.01 0.43 -0.12 0.00 -0.16 0.00 0.00 57.16 57.31 2k54 n GLU 4 Cb 0.41 -1.61 -0.15 0.00 1.43 0.00 0.00 31.44 31.52 2k54 n GLU 4 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 177.13 176.08 2k54 n ILE 5 N -1.70 1.46 0.05 3.84 2.08 -0.95 -4.39 119.36 119.76 2k54 n ILE 5 Ca 0.01 -0.78 -0.04 0.00 0.56 0.00 0.00 62.75 62.50 2k54 n ILE 5 Cb 0.09 -0.81 0.17 0.00 -0.75 0.00 0.00 39.64 38.34 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 0.37 0.02 0.38 4.39 -1.23 -3.31 114.58 115.20 2k54 h GLU 6 Ca -0.51 -0.18 -0.00 0.00 0.34 0.00 0.00 59.36 59.01 2k54 h GLU 6 Cb 2.13 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.78 2k54 h GLU 6 CO 0.02 0.72 -0.01 -0.07 -1.16 0.00 0.00 179.01 178.50 2k54 h LEU 7 N 0.31 -0.03 -0.09 1.33 3.38 -1.56 -0.91 115.31 117.74 2k54 h LEU 7 Ca 0.03 -0.33 0.04 0.00 0.09 0.00 0.00 57.88 57.71 2k54 h LEU 7 Cb 0.85 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.56 2k54 h LEU 7 CO 0.07 0.32 -0.17 1.55 0.09 0.00 0.00 178.44 180.30 2k54 h PRO 8 N -0.37 -0.22 -0.68 1.13 0.13 -1.78 -2.54 132.00 127.67 2k54 h PRO 8 Ca -0.00 0.01 0.04 0.00 -0.87 0.00 0.00 66.00 65.18 2k54 h PRO 8 Cb 0.35 0.05 -0.05 0.00 0.13 0.00 0.00 31.00 31.49 2k54 h PRO 8 CO 0.01 -0.15 0.41 0.28 -0.23 0.00 0.00 178.00 178.32 2k54 h VAL 9 N -0.23 1.05 0.42 1.56 2.07 -1.64 -1.35 116.25 118.13 2k54 h VAL 9 Ca 0.08 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 2k54 h VAL 9 Cb 0.34 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 2k54 h VAL 9 CO -0.22 0.14 -0.20 -0.61 0.02 0.00 0.00 177.57 176.70 2k54 h GLN 10 N 0.79 -0.54 -0.56 1.57 5.75 -1.07 -2.55 115.11 118.50 2k54 h GLN 10 Ca 0.28 0.04 -0.08 0.00 -0.15 0.00 0.00 58.65 58.74 2k54 h GLN 10 Cb 0.07 0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.72 2k54 h GLN 10 CO -0.13 -0.23 0.03 0.87 -2.65 0.00 0.00 178.83 176.72 2k54 h LYS 11 N -0.86 0.94 -0.78 1.69 1.79 -1.42 -2.87 116.57 115.05 2k54 h LYS 11 Ca -0.06 -0.26 -0.04 0.00 -2.18 0.00 0.00 60.65 58.12 2k54 h LYS 11 Cb 0.55 -0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 31.06 2k54 h LYS 11 CO 0.09 0.90 0.33 0.37 -1.08 0.00 0.00 179.45 180.07 2k54 h GLN 12 N 0.87 1.15 0.27 3.15 4.15 -1.30 -1.53 115.11 121.88 2k54 h GLN 12 Ca 0.17 -0.19 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 2k54 h GLN 12 Cb 0.46 -0.20 0.00 0.00 0.21 0.00 0.00 27.48 27.96 2k54 h GLN 12 CO 0.02 0.92 -0.14 1.25 -1.93 0.00 0.00 178.83 178.95 2k54 h LEU 13 N 1.13 -0.33 -1.65 -2.39 6.46 -1.24 -0.07 115.31 117.21 2k54 h LEU 13 Ca 0.26 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 58.02 2k54 h LEU 13 Cb 0.18 0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.19 2k54 h LEU 13 CO -0.03 -0.23 0.04 -0.33 -0.62 0.00 0.00 178.44 177.27 2k54 h GLU 14 N -0.38 0.26 0.00 1.25 4.39 -1.31 -0.89 114.58 117.90 2k54 h GLU 14 Ca -0.04 -0.03 -0.13 0.00 0.34 0.00 0.00 59.36 59.50 2k54 h GLU 14 Cb 0.30 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 2k54 h GLU 14 CO 0.05 0.25 -0.63 0.00 -1.16 0.00 0.00 179.01 177.52 2k54 h ALA 15 N 1.79 0.72 -0.21 3.43 0.00 -1.08 -2.41 119.26 121.51 2k54 h ALA 15 Ca 0.06 -0.58 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 2k54 h ALA 15 Cb 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2k54 h ALA 15 CO -0.00 0.79 0.07 -0.92 0.00 0.00 0.00 179.25 179.19 2k54 h TYR 16 N 0.00 0.32 0.00 0.00 3.20 0.46 0.53 116.97 121.48 2k54 h TYR 16 Ca -0.01 -0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.75 2k54 h TYR 16 Cb 1.32 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.48 2k54 h TYR 16 CO 0.00 0.38 -0.77 -2.95 -1.64 0.00 0.00 178.16 173.18 2k54 h ASN 17 N 0.17 0.00 0.45 -2.11 7.08 -1.61 -3.27 115.58 116.29 2k54 h ASN 17 Ca 0.07 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.29 2k54 h ASN 17 Cb 0.21 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.45 2k54 h ASN 17 CO -0.00 0.35 -0.23 0.00 -2.08 0.00 0.00 177.43 175.47 2k54 n ALA 18 N -2.25 2.97 -1.06 4.14 0.00 -0.91 -4.95 120.51 118.45 2k54 n ALA 18 Ca -0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 53.44 53.11 2k54 n ALA 18 Cb 0.70 -1.25 -0.01 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 -1.09 -0.76 -2.37 0.00 5.12 0.02 -4.97 116.66 112.61 2k54 n ARG 19 Ca 0.11 0.36 -0.38 0.00 -1.93 0.00 0.00 57.85 56.01 2k54 n ARG 19 Cb 0.32 -4.04 -0.03 0.00 -1.16 0.00 0.00 32.46 27.54 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 -2.24 5.93 0.41 0.55 1.01 -0.27 -4.82 116.67 117.25 2k54 s ASP 20 Ca 0.00 -0.72 0.16 0.00 0.71 0.00 0.00 52.55 52.70 2k54 s ASP 20 Cb 0.00 -2.56 0.90 0.00 1.01 0.00 0.00 42.92 42.27 2k54 s ASP 20 CO 0.00 -1.99 1.89 0.40 0.21 0.00 0.00 175.17 175.67 2k54 h ILE 21 N 6.69 1.07 -0.39 0.77 1.08 -1.93 -1.45 117.51 123.35 2k54 h ILE 21 Ca -0.03 -1.07 0.02 0.00 -0.39 0.00 0.00 64.86 63.39 2k54 h ILE 21 Cb 1.05 1.60 -0.03 0.00 -3.07 0.00 0.00 36.82 36.37 2k54 h ILE 21 CO 1.31 0.29 0.21 -0.78 -0.69 0.00 0.00 178.15 178.49 2k54 h ASP 22 N 0.00 0.33 0.91 1.72 3.58 -1.97 0.14 116.42 121.13 2k54 h ASP 22 Ca -0.00 0.01 -0.22 0.00 0.42 0.00 0.00 57.03 57.24 2k54 h ASP 22 Cb 0.58 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.55 2k54 h ASP 22 CO 0.04 0.24 -1.02 0.00 -2.88 0.00 0.00 179.24 175.62 2k54 h ALA 23 N 1.19 0.34 0.00 -0.78 0.00 -1.95 0.60 119.26 118.66 2k54 h ALA 23 Ca 0.16 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.18 2k54 h ALA 23 Cb 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2k54 h ALA 23 CO -0.09 1.18 0.00 0.34 0.00 0.00 0.00 179.25 180.68 2k54 n PHE 24 N -3.41 0.00 -0.01 0.00 7.35 -0.55 -3.06 117.46 117.79 2k54 n PHE 24 Ca -0.01 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.67 2k54 n PHE 24 Cb 0.94 -0.38 -0.03 0.00 0.35 0.00 0.00 39.48 40.35 2k54 n PHE 24 CO 0.00 0.00 0.00 -0.12 -0.76 0.00 0.00 176.76 175.88 2k54 n MET 25 N -1.38 1.86 -0.35 -4.13 1.56 0.46 -4.84 117.12 110.30 2k54 n MET 25 Ca 0.07 -0.02 0.01 0.00 -0.27 0.00 0.00 57.70 57.50 2k54 n MET 25 Cb 0.18 -1.09 0.16 0.00 2.15 0.00 0.00 33.22 34.62 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 0.27 1.32 -0.07 -5.12 0.00 -0.79 -2.14 119.26 112.72 2k54 h ALA 26 Ca -0.05 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2k54 h ALA 26 Cb 0.74 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2k54 h ALA 26 CO 0.00 0.42 0.00 0.91 0.00 0.00 0.00 179.25 180.59 2k54 n TRP 27 N -4.52 0.08 -3.81 0.00 7.02 -1.26 -4.87 117.44 110.09 2k54 n TRP 27 Ca 0.14 -0.04 -0.37 0.00 -1.02 0.00 0.00 57.50 56.21 2k54 n TRP 27 Cb 0.16 0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 28.99 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 -1.92 3.59 0.76 -5.99 0.52 -0.81 -0.85 118.94 114.25 2k54 s TRP 28 Ca 0.36 0.57 -0.11 0.00 0.02 0.00 0.00 56.10 56.94 2k54 s TRP 28 Cb 0.20 -2.02 0.05 0.00 -1.15 0.00 0.00 33.47 30.55 2k54 s TRP 28 CO 0.31 0.66 1.08 0.00 0.02 0.00 0.00 176.95 179.02 2k54 s ALA 29 N -0.84 2.31 0.24 0.98 0.00 -0.47 -4.79 121.76 119.19 2k54 s ALA 29 Ca 0.15 0.17 -0.06 0.00 0.00 0.00 0.00 51.96 52.22 2k54 s ALA 29 Cb -0.12 -3.23 0.24 0.00 0.00 0.00 0.00 23.12 20.00 2k54 s ALA 29 CO 0.05 -1.67 1.88 0.22 0.00 0.00 0.00 175.76 176.23 2k54 h ASP 30 N -1.05 1.12 -0.55 0.00 3.58 -1.97 -2.41 116.42 115.14 2k54 h ASP 30 Ca -0.44 -0.08 0.00 0.00 0.42 0.00 0.00 57.03 56.92 2k54 h ASP 30 Cb 1.23 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 42.00 2k54 h ASP 30 CO 0.53 0.88 0.00 0.47 -2.88 0.00 0.00 179.24 178.24 2k54 n ASP 31 N -4.34 5.58 -4.62 2.28 8.00 -1.26 -1.83 116.55 120.36 2k54 n ASP 31 Ca 0.10 -2.90 -0.45 0.00 0.71 0.00 0.00 54.79 52.26 2k54 n ASP 31 Cb 0.08 -0.68 -0.04 0.00 -0.02 0.00 0.00 41.12 40.46 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 5.32 3.60 -0.08 0.00 -1.52 -0.86 -0.63 119.66 125.48 2k54 s GLN 33 Ca 0.97 1.20 -0.03 0.00 -1.95 0.00 0.00 55.36 55.54 2k54 s GLN 33 Cb -0.49 -2.07 0.04 0.00 -0.22 0.00 0.00 33.01 30.27 2k54 s GLN 33 CO 0.42 -0.58 0.12 -0.47 -0.25 0.00 0.00 175.29 174.53 2k54 s TYR 34 N -2.35 -0.07 0.16 0.91 5.04 0.97 -0.70 117.35 121.31 2k54 s TYR 34 Ca 0.64 0.40 0.09 0.00 -2.44 0.00 0.00 57.07 55.76 2k54 s TYR 34 Cb -0.15 -0.37 -0.04 0.00 0.35 0.00 0.00 41.96 41.75 2k54 s TYR 34 CO 0.30 -0.28 -0.14 0.71 -1.34 0.00 0.00 175.55 174.80 2k54 s TYR 35 N 2.24 2.55 0.27 4.97 1.51 -0.37 -0.21 117.35 128.31 2k54 s TYR 35 Ca 0.04 -0.25 0.10 0.00 -1.01 0.00 0.00 57.07 55.94 2k54 s TYR 35 Cb -0.13 -1.28 -0.05 0.00 -0.11 0.00 0.00 41.96 40.39 2k54 s TYR 35 CO -0.05 0.48 -0.15 0.00 -1.11 0.00 0.00 175.55 174.71 2k54 s ALA 36 N -1.54 2.54 0.17 3.71 0.00 -0.41 -2.91 121.76 123.32 2k54 s ALA 36 Ca 0.22 -1.85 -0.33 0.00 0.00 0.00 0.00 51.96 50.00 2k54 s ALA 36 Cb -0.09 -0.13 -0.13 0.00 0.00 0.00 0.00 23.12 22.77 2k54 s ALA 36 CO 0.13 0.16 1.69 0.34 0.00 0.00 0.00 175.76 178.08 2k54 n PHE 37 N -0.58 2.54 -0.03 0.00 7.35 -0.80 -1.64 117.46 124.30 2k54 n PHE 37 Ca -0.06 0.10 -0.13 0.00 -0.76 0.00 0.00 57.45 56.60 2k54 n PHE 37 Cb 0.61 -2.63 -0.11 0.00 0.35 0.00 0.00 39.48 37.70 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 6.79 -0.03 -0.90 -7.13 0.13 -2.00 -3.45 132.00 125.41 2k54 h PRO 38 Ca -0.44 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.62 2k54 h PRO 38 Cb 1.23 0.01 -0.18 0.00 0.13 0.00 0.00 31.00 32.19 2k54 h PRO 38 CO 0.93 0.68 -0.42 0.00 -0.23 0.00 0.00 178.00 178.96 2k54 s ALA 39 N -3.06 -2.56 -0.09 -0.56 0.00 -0.65 -4.91 121.76 109.93 2k54 s ALA 39 Ca -0.16 0.12 -0.03 0.00 0.00 0.00 0.00 51.96 51.89 2k54 s ALA 39 Cb -0.01 -2.77 0.05 0.00 0.00 0.00 0.00 23.12 20.39 2k54 s ALA 39 CO 0.62 -2.26 0.12 0.99 0.00 0.00 0.00 175.76 175.23 2k54 s THR 40 N 1.51 -0.19 -0.42 0.00 2.01 -0.87 -4.94 115.64 112.74 2k54 s THR 40 Ca 0.21 0.27 -0.28 0.00 0.31 0.00 0.00 61.69 62.19 2k54 s THR 40 Cb -0.01 -0.32 -0.02 0.00 0.01 0.00 0.00 72.50 72.16 2k54 s THR 40 CO -0.07 0.07 1.80 -0.22 -0.69 0.00 0.00 174.62 175.51 2k54 s LEU 41 N 2.23 3.45 -0.04 4.42 0.20 -1.26 -1.29 118.68 126.39 2k54 s LEU 41 Ca 0.04 0.98 -0.17 0.00 0.69 0.00 0.00 54.13 55.67 2k54 s LEU 41 Cb -0.13 -3.20 -0.31 0.00 -0.43 0.00 0.00 46.19 42.11 2k54 s LEU 41 CO -0.06 -1.91 0.80 -0.07 -0.29 0.00 0.00 176.35 174.83 2k54 h LEU 42 N 14.51 0.57 -7.20 -0.68 3.38 -0.94 -3.47 115.31 121.47 2k54 h LEU 42 Ca -0.31 -0.92 -0.36 0.00 0.09 0.00 0.00 57.88 56.39 2k54 h LEU 42 Cb 1.16 -0.19 -0.38 0.00 0.09 0.00 0.00 40.66 41.35 2k54 h LEU 42 CO 1.09 1.59 -0.70 0.00 0.09 0.00 0.00 178.44 180.51 2k54 s ALA 43 N -2.51 0.11 -0.71 1.53 0.00 -1.11 -5.00 121.76 114.07 2k54 s ALA 43 Ca -0.14 0.21 -0.02 0.00 0.00 0.00 0.00 51.96 52.01 2k54 s ALA 43 Cb 0.03 -0.82 0.42 0.00 0.00 0.00 0.00 23.12 22.76 2k54 s ALA 43 CO 0.85 -0.71 2.03 0.41 0.00 0.00 0.00 175.76 178.34 2k54 n GLY 44 N 5.31 5.79 0.00 0.00 0.00 -1.26 -0.02 105.19 115.00 2k54 n GLY 44 Ca -0.04 -2.36 0.00 0.00 0.00 0.00 0.00 46.02 43.61 2k54 n GLY 44 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k54 n ASN 45 N -0.81 0.00 0.08 1.61 0.23 0.20 -4.66 115.26 111.91 2k54 n ASN 45 Ca 0.60 0.00 0.02 0.00 -0.53 0.00 0.00 54.58 54.67 2k54 n ASN 45 Cb 0.55 0.00 0.38 0.00 -2.08 0.00 0.00 39.78 38.62 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 1.51 -0.43 -2.53 0.00 -1.45 -3.21 119.26 113.14 2k54 h ALA 46 Ca 0.00 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.74 2k54 h ALA 46 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2k54 h ALA 46 CO 0.00 0.35 0.28 0.00 0.00 0.00 0.00 179.25 179.88 2k54 h ALA 47 N 1.63 0.55 -0.05 0.00 0.00 -1.91 -1.29 119.26 118.19 2k54 h ALA 47 Ca 0.07 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 2k54 h ALA 47 Cb 0.30 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 2k54 h ALA 47 CO 0.01 -0.02 -0.78 0.93 0.00 0.00 0.00 179.25 179.39 2k54 h GLU 48 N 0.57 0.38 -0.50 0.00 5.08 -1.96 -3.07 114.58 115.08 2k54 h GLU 48 Ca 0.16 -0.33 0.03 0.00 -1.00 0.00 0.00 59.36 58.21 2k54 h GLU 48 Cb -0.04 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2k54 h GLU 48 CO -0.05 0.99 0.29 0.82 -1.00 0.00 0.00 179.01 180.06 2k54 h ILE 49 N 0.25 1.04 0.21 3.13 2.04 -1.48 -2.09 117.51 120.60 2k54 h ILE 49 Ca -0.04 -0.20 0.01 0.00 1.00 0.00 0.00 64.86 65.63 2k54 h ILE 49 Cb 1.37 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 37.82 2k54 h ILE 49 CO 0.13 0.11 -0.37 -0.09 0.00 0.00 0.00 178.15 177.93 2k54 h ARG 50 N 0.58 -0.63 -0.30 2.37 2.43 -1.21 -2.37 114.38 115.25 2k54 h ARG 50 Ca 0.20 0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.47 2k54 h ARG 50 Cb 0.03 0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.68 2k54 h ARG 50 CO -0.10 -0.42 -0.03 0.28 -1.51 0.00 0.00 179.97 178.19 2k54 h VAL 51 N -0.66 0.75 -0.61 0.20 2.07 -1.44 -2.03 116.25 114.54 2k54 h VAL 51 Ca 0.01 -0.02 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 2k54 h VAL 51 Cb 0.65 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 2k54 h VAL 51 CO -0.16 0.01 0.27 -0.09 0.02 0.00 0.00 177.57 177.61 2k54 h ARG 52 N 0.05 0.87 0.05 1.57 9.65 -1.27 -2.64 114.38 122.66 2k54 h ARG 52 Ca 0.15 -0.12 -0.24 0.00 -1.10 0.00 0.00 59.98 58.67 2k54 h ARG 52 Cb 0.21 -0.16 -0.00 0.00 -1.39 0.00 0.00 29.97 28.62 2k54 h ARG 52 CO -0.27 0.69 -1.04 0.45 2.80 0.00 0.00 179.97 182.60 2k54 h HIS 53 N 0.86 0.47 -0.98 2.20 3.86 -1.05 -3.22 115.15 117.29 2k54 h HIS 53 Ca 0.21 -0.29 0.08 0.00 -1.16 0.00 0.00 60.37 59.21 2k54 h HIS 53 Cb 0.13 -0.04 -0.07 0.00 1.06 0.00 0.00 27.41 28.48 2k54 h HIS 53 CO 0.01 1.15 0.62 0.82 0.86 0.00 0.00 177.93 181.40 2k54 h ILE 54 N 0.14 1.03 -0.75 2.45 2.04 -1.01 -0.86 117.51 120.54 2k54 h ILE 54 Ca -0.09 -0.37 0.05 0.00 1.00 0.00 0.00 64.86 65.45 2k54 h ILE 54 Cb 1.71 -0.16 -0.06 0.00 -0.74 0.00 0.00 36.82 37.58 2k54 h ILE 54 CO 0.17 0.20 0.45 -0.33 0.00 0.00 0.00 178.15 178.63 2k54 h GLU 55 N 1.09 0.80 0.00 2.37 5.08 -1.53 -2.17 114.58 120.22 2k54 h GLU 55 Ca 0.44 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.72 2k54 h GLU 55 Cb 0.27 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 2k54 h GLU 55 CO -0.20 0.53 -0.19 -0.09 -1.00 0.00 0.00 179.01 178.06 2k54 h ARG 56 N 0.83 0.00 0.00 2.33 9.65 -1.29 -3.12 114.38 122.78 2k54 h ARG 56 Ca 0.32 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.20 2k54 h ARG 56 Cb 0.15 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.73 2k54 h ARG 56 CO -0.16 0.19 0.00 1.19 2.80 0.00 0.00 179.97 183.99 2k54 n PHE 57 N -3.21 0.00 0.12 2.20 3.01 -0.44 -3.16 117.46 115.98 2k54 n PHE 57 Ca 0.02 0.00 -0.03 0.00 1.01 0.00 0.00 57.45 58.45 2k54 n PHE 57 Cb 0.52 -0.02 0.11 0.00 -0.01 0.00 0.00 39.48 40.08 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 0.05 -6.35 -1.08 1.79 -1.48 -3.45 116.57 106.06 2k54 h LYS 58 Ca 0.00 -0.04 -0.54 0.00 -2.18 0.00 0.00 60.65 57.89 2k54 h LYS 58 Cb 0.02 0.01 0.01 0.00 -1.58 0.00 0.00 32.23 30.70 2k54 h LYS 58 CO 0.00 0.71 1.15 -1.21 -1.08 0.00 0.00 179.45 179.02 2k54 s GLU 59 N -3.49 4.16 0.46 3.15 8.01 -1.19 -4.89 118.70 124.91 2k54 s GLU 59 Ca -0.02 2.43 0.25 0.00 0.01 0.00 0.00 54.97 57.65 2k54 s GLU 59 Cb 0.12 -3.99 1.01 0.00 -4.31 0.00 0.00 34.13 26.96 2k54 s GLU 59 CO 0.78 -0.88 1.86 -1.00 0.01 0.00 0.00 175.26 176.03 2k54 h PRO 60 N 9.80 0.00 0.00 0.39 0.13 -1.92 -2.85 132.00 137.55 2k54 h PRO 60 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2k54 h PRO 60 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2k54 h PRO 60 CO 0.94 0.20 0.00 -0.25 -0.23 0.00 0.00 178.00 178.66 2k54 n ASP 61 N -3.39 0.09 -4.61 1.44 9.92 -1.26 -4.81 116.55 113.93 2k54 n ASP 61 Ca -0.00 0.51 -0.43 0.00 -0.53 0.00 0.00 54.79 54.33 2k54 n ASP 61 Cb 0.40 -0.53 -0.03 0.00 -0.64 0.00 0.00 41.12 40.32 2k54 n ASP 61 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 2k54 n LEU 62 N -1.58 3.41 -3.71 0.64 7.94 -1.08 -4.47 117.00 118.14 2k54 n LEU 62 Ca 0.07 0.39 -0.12 0.00 -1.11 0.00 0.00 56.01 55.24 2k54 n LEU 62 Cb 0.34 -1.53 -0.12 0.00 0.53 0.00 0.00 43.42 42.64 2k54 n LEU 62 CO 0.26 -0.47 -0.04 -0.47 -1.11 0.00 0.00 177.39 175.56 2k54 s TYR 63 N 7.28 -0.45 -0.17 1.96 5.04 -1.25 -4.95 117.35 124.82 2k54 s TYR 63 Ca 0.98 1.00 -0.03 0.00 -2.44 0.00 0.00 57.07 56.58 2k54 s TYR 63 Cb -0.40 0.14 -0.02 0.00 0.35 0.00 0.00 41.96 42.04 2k54 s TYR 63 CO 0.38 -0.28 -0.04 0.20 -1.34 0.00 0.00 175.55 174.47 2k54 s GLY 64 N 1.28 1.67 -0.31 8.97 0.00 -1.26 -1.24 107.32 116.43 2k54 s GLY 64 Ca -0.09 -0.92 0.03 0.00 0.00 0.00 0.00 44.72 43.73 2k54 s GLY 64 CO -0.10 0.06 0.02 1.85 0.00 0.00 0.00 173.10 174.93 2k54 s GLU 65 N 0.68 1.51 0.27 2.90 2.12 -1.18 -4.98 118.70 120.03 2k54 s GLU 65 Ca -0.02 -1.55 -0.29 0.00 0.36 0.00 0.00 54.97 53.46 2k54 s GLU 65 Cb -0.15 -2.89 -0.10 0.00 0.26 0.00 0.00 34.13 31.26 2k54 s GLU 65 CO 0.02 -0.84 1.25 -1.17 -0.54 0.00 0.00 175.26 173.99 2k54 s LEU 66 N 1.11 4.46 -0.19 2.70 2.96 -1.26 -1.79 118.68 126.66 2k54 s LEU 66 Ca 0.05 2.48 -0.10 0.00 -0.22 0.00 0.00 54.13 56.35 2k54 s LEU 66 Cb -0.19 -3.63 -0.08 0.00 0.50 0.00 0.00 46.19 42.79 2k54 s LEU 66 CO -0.10 -0.43 -0.25 0.18 -1.32 0.00 0.00 176.35 174.43 2k54 n LEU 67 N 1.51 1.41 -3.75 -0.68 4.77 -0.47 -4.95 117.00 114.85 2k54 n LEU 67 Ca 0.02 0.24 -0.13 0.00 -0.03 0.00 0.00 56.01 56.11 2k54 n LEU 67 Cb 0.43 -0.58 -0.10 0.00 -2.33 0.00 0.00 43.42 40.83 2k54 n LEU 67 CO 0.57 0.34 0.04 -0.89 -1.33 0.00 0.00 177.39 176.12 2k54 s THR 68 N -2.38 0.01 -0.05 -5.08 2.01 -1.08 -5.06 115.64 104.00 2k54 s THR 68 Ca -0.27 -0.06 0.02 0.00 0.31 0.00 0.00 61.69 61.68 2k54 s THR 68 Cb 0.10 -0.53 0.02 0.00 0.01 0.00 0.00 72.50 72.10 2k54 s THR 68 CO 0.34 -0.04 -0.09 0.00 -0.69 0.00 0.00 174.62 174.15 2k54 s ARG 69 N -0.03 1.28 -0.12 4.92 1.70 -1.26 -0.52 118.95 124.92 2k54 s ARG 69 Ca -0.02 -0.28 0.03 0.00 -0.47 0.00 0.00 55.73 55.00 2k54 s ARG 69 Cb -0.03 -1.12 0.01 0.00 -0.57 0.00 0.00 34.95 33.23 2k54 s ARG 69 CO 0.01 -0.01 -0.22 0.14 -1.08 0.00 0.00 175.30 174.14 2k54 s VAL 70 N 0.72 2.00 -0.26 4.99 -7.23 0.01 -5.00 120.40 115.62 2k54 s VAL 70 Ca -0.13 -0.96 -0.09 0.00 -1.81 0.00 0.00 61.98 58.99 2k54 s VAL 70 Cb -0.15 -1.75 -0.04 0.00 0.56 0.00 0.00 36.38 35.00 2k54 s VAL 70 CO 0.02 0.54 0.13 -0.51 -0.31 0.00 0.00 175.10 174.97 2k54 s ILE 71 N 0.59 4.85 -0.44 -0.62 2.07 -1.26 -1.05 121.20 125.34 2k54 s ILE 71 Ca -0.13 0.01 0.04 0.00 -1.41 0.00 0.00 60.65 59.16 2k54 s ILE 71 Cb -0.17 -3.28 0.12 0.00 0.13 0.00 0.00 42.46 39.26 2k54 s ILE 71 CO 0.04 0.30 0.16 -0.69 -1.91 0.00 0.00 174.94 172.84 2k54 s VAL 72 N 1.60 2.40 0.00 4.00 1.01 0.39 -5.01 120.40 124.80 2k54 s VAL 72 Ca 0.07 -2.85 0.00 0.00 0.00 0.00 0.00 61.98 59.20 2k54 s VAL 72 Cb -0.15 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.51 2k54 s VAL 72 CO 0.07 -0.71 0.00 0.61 0.00 0.00 0.00 175.10 175.07 2k54 n GLY 73 N 3.64 3.43 0.97 4.51 0.00 -1.26 -1.73 105.19 114.76 2k54 n GLY 73 Ca 0.05 0.07 0.10 0.00 0.00 0.00 0.00 46.02 46.23 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 9.51 2.86 -4.43 1.61 6.94 -1.26 -4.81 115.26 125.68 2k54 n ASN 74 Ca 0.00 -1.95 -0.32 0.00 -0.02 0.00 0.00 54.58 52.29 2k54 n ASN 74 Cb 0.00 -0.30 -0.14 0.00 -2.36 0.00 0.00 39.78 36.98 2k54 n ASN 74 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 2k54 s VAL 75 N -1.40 2.71 -0.05 3.53 1.01 -0.71 -1.44 120.40 124.05 2k54 s VAL 75 Ca 0.37 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 61.42 2k54 s VAL 75 Cb 0.20 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 34.52 2k54 s VAL 75 CO 0.27 0.51 -0.16 -0.69 0.00 0.00 0.00 175.10 175.03 2k54 s VAL 76 N -0.76 1.40 -0.34 2.92 1.01 -0.75 -0.46 120.40 123.42 2k54 s VAL 76 Ca 0.12 -0.68 -0.13 0.00 0.00 0.00 0.00 61.98 61.30 2k54 s VAL 76 Cb -0.10 -1.22 -0.01 0.00 0.00 0.00 0.00 36.38 35.05 2k54 s VAL 76 CO 0.01 0.41 0.23 -0.63 0.00 0.00 0.00 175.10 175.13 2k54 s ILE 77 N 0.23 5.18 0.14 2.22 1.01 -0.21 -1.25 121.20 128.51 2k54 s ILE 77 Ca -0.08 -0.29 -0.03 0.00 0.00 0.00 0.00 60.65 60.25 2k54 s ILE 77 Cb -0.13 -3.68 -0.05 0.00 0.01 0.00 0.00 42.46 38.61 2k54 s ILE 77 CO 0.03 -0.03 0.35 1.51 0.00 0.00 0.00 174.94 176.80 2k54 s ASP 78 N 1.70 6.44 -0.22 3.58 1.47 -0.58 -0.81 116.67 128.26 2k54 s ASP 78 Ca 0.06 0.49 -0.04 0.00 1.18 0.00 0.00 52.55 54.24 2k54 s ASP 78 Cb -0.18 -2.05 0.07 0.00 -0.34 0.00 0.00 42.92 40.43 2k54 s ASP 78 CO 0.10 0.06 0.09 -2.28 0.68 0.00 0.00 175.17 173.82 2k54 s HIS 79 N -1.67 0.55 0.26 2.11 2.46 0.32 -0.76 115.29 118.56 2k54 s HIS 79 Ca 0.39 -0.72 0.10 0.00 0.47 0.00 0.00 55.06 55.31 2k54 s HIS 79 Cb -0.12 -0.91 -0.05 0.00 -0.13 0.00 0.00 32.58 31.37 2k54 s HIS 79 CO 0.26 -0.65 -0.09 -1.21 -2.47 0.00 0.00 174.74 170.58 2k54 s GLU 80 N 2.02 2.03 -0.52 2.88 2.02 -1.18 -1.36 118.70 124.58 2k54 s GLU 80 Ca 0.04 -1.51 -0.17 0.00 0.02 0.00 0.00 54.97 53.34 2k54 s GLU 80 Cb -0.16 -2.02 0.09 0.00 0.10 0.00 0.00 34.13 32.13 2k54 s GLU 80 CO -0.18 0.36 0.55 0.99 0.02 0.00 0.00 175.26 177.01 2k54 s THR 81 N -2.27 5.03 -0.21 3.63 2.01 -0.74 -1.63 115.64 121.46 2k54 s THR 81 Ca 0.30 -0.96 -0.15 0.00 0.31 0.00 0.00 61.69 61.19 2k54 s THR 81 Cb -0.06 -4.30 -0.04 0.00 0.01 0.00 0.00 72.50 68.10 2k54 s THR 81 CO 0.17 -0.83 0.35 0.68 -0.69 0.00 0.00 174.62 174.30 2k54 s VAL 82 N 2.17 5.23 -0.12 3.82 -7.23 -0.11 -3.08 120.40 121.08 2k54 s VAL 82 Ca 0.09 0.60 -0.30 0.00 -1.81 0.00 0.00 61.98 60.56 2k54 s VAL 82 Cb -0.24 -3.68 -0.02 0.00 0.56 0.00 0.00 36.38 33.00 2k54 s VAL 82 CO 0.07 0.27 1.19 -0.89 -0.31 0.00 0.00 175.10 175.43 2k54 s THR 83 N 1.26 4.36 0.00 5.32 2.01 -0.38 -0.96 115.64 127.26 2k54 s THR 83 Ca 0.17 1.66 0.00 0.00 0.31 0.00 0.00 61.69 63.83 2k54 s THR 83 Cb -0.14 -4.07 0.00 0.00 0.01 0.00 0.00 72.50 68.30 2k54 s THR 83 CO 0.07 -0.07 0.00 0.54 -0.69 0.00 0.00 174.62 174.48 2k54 n ARG 84 N 5.78 2.34 -3.96 4.92 5.12 -0.43 -3.90 116.66 126.54 2k54 n ARG 84 Ca 0.12 0.00 -0.31 0.00 -1.93 0.00 0.00 57.85 55.73 2k54 n ARG 84 Cb 0.46 0.00 -0.15 0.00 -1.16 0.00 0.00 32.46 31.61 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 -0.66 4.29 0.09 0.55 0.02 -1.24 -4.04 114.94 113.96 2k54 s ASN 85 Ca 0.00 -1.62 0.07 0.00 -1.02 0.00 0.00 52.86 50.28 2k54 s ASN 85 Cb 0.00 -1.34 -0.04 0.00 0.02 0.00 0.00 41.25 39.89 2k54 s ASN 85 CO 0.00 -0.31 -0.09 -0.36 0.02 0.00 0.00 177.10 176.37 2k54 s PHE 86 N 1.21 2.77 0.25 2.20 0.40 -0.69 -4.95 117.98 119.18 2k54 s PHE 86 Ca 0.02 -0.14 0.36 0.00 -0.60 0.00 0.00 56.93 56.57 2k54 s PHE 86 Cb -0.19 -1.46 1.77 0.00 0.51 0.00 0.00 43.02 43.66 2k54 s PHE 86 CO -0.10 0.43 2.09 -1.00 0.70 0.00 0.00 175.22 177.34 2k54 h PRO 87 N 3.67 0.00 -0.01 0.24 0.13 -2.01 -2.65 132.00 131.38 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 0.53 0.00 -0.15 -0.85 -0.23 0.00 0.00 178.00 177.30 2k54 n GLU 88 N -2.90 0.82 0.00 0.86 0.00 -1.26 -5.03 120.64 113.13 2k54 n GLU 88 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 57.16 56.77 2k54 n GLU 88 Cb 0.16 -1.49 0.00 0.00 0.00 0.00 0.00 31.44 30.11 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 1.29 0.09 0.00 -1.84 0.00 -1.00 -5.00 105.19 98.73 2k54 n GLY 89 Ca 0.14 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2k54 n GLY 89 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k54 n LYS 90 N 0.00 0.00 0.00 1.61 3.00 -1.26 -3.71 118.16 117.80 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 -0.88 0.00 0.00 0.00 0.00 0.00 35.03 34.15 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 1.93 3.48 3.14 0.00 -1.23 -1.70 105.19 110.50 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 -0.16 3.23 -0.17 1.61 -1.05 -0.68 -1.32 118.70 120.17 2k54 s GLU 92 Ca 0.00 -0.57 -0.06 0.00 -0.15 0.00 0.00 54.97 54.19 2k54 s GLU 92 Cb 0.00 -4.10 -0.04 0.00 -0.44 0.00 0.00 34.13 29.56 2k54 s GLU 92 CO 0.00 -1.45 0.03 0.14 0.95 0.00 0.00 175.26 174.93 2k54 s VAL 93 N 3.53 4.55 -0.03 1.83 -7.23 -0.13 -2.06 120.40 120.86 2k54 s VAL 93 Ca 0.24 -0.12 -0.30 0.00 -1.81 0.00 0.00 61.98 59.99 2k54 s VAL 93 Cb -0.16 -3.03 -0.03 0.00 0.56 0.00 0.00 36.38 33.73 2k54 s VAL 93 CO 0.15 0.49 1.06 1.51 -0.31 0.00 0.00 175.10 178.00 2k54 s ASP 94 N 0.21 7.24 -0.07 4.85 -4.77 -1.23 -0.94 116.67 121.96 2k54 s ASP 94 Ca 0.02 1.71 0.01 0.00 -3.30 0.00 0.00 52.55 50.99 2k54 s ASP 94 Cb -0.13 -2.57 0.02 0.00 -1.09 0.00 0.00 42.92 39.16 2k54 s ASP 94 CO 0.01 -0.40 -0.07 -0.69 0.70 0.00 0.00 175.17 174.72 2k54 s VAL 95 N 1.50 0.82 -0.66 2.11 1.01 -0.65 -0.51 120.40 124.03 2k54 s VAL 95 Ca 0.53 -0.24 -0.21 0.00 0.00 0.00 0.00 61.98 62.05 2k54 s VAL 95 Cb -0.22 -0.82 0.08 0.00 0.00 0.00 0.00 36.38 35.42 2k54 s VAL 95 CO 0.24 0.30 0.90 0.00 0.00 0.00 0.00 175.10 176.55 2k54 s ALA 96 N 1.15 3.22 -0.45 5.51 0.00 -0.15 -3.12 121.76 127.92 2k54 s ALA 96 Ca -0.06 -2.01 -0.19 0.00 0.00 0.00 0.00 51.96 49.70 2k54 s ALA 96 Cb -0.14 -3.78 0.03 0.00 0.00 0.00 0.00 23.12 19.24 2k54 s ALA 96 CO -0.01 -2.67 0.55 0.00 0.00 0.00 0.00 175.76 173.62 2k54 s ILE 98 N 2.44 4.35 -0.17 0.00 2.07 0.57 -1.52 121.20 128.94 2k54 s ILE 98 Ca 0.15 -1.17 -0.07 0.00 -1.41 0.00 0.00 60.65 58.16 2k54 s ILE 98 Cb -0.17 -3.56 -0.04 0.00 0.13 0.00 0.00 42.46 38.82 2k54 s ILE 98 CO 0.14 -0.38 0.05 -0.31 -1.91 0.00 0.00 174.94 172.53 2k54 s TYR 99 N 1.48 3.25 -0.39 3.50 1.51 -0.38 -1.07 117.35 125.25 2k54 s TYR 99 Ca 0.02 0.08 -0.16 0.00 -1.01 0.00 0.00 57.07 56.00 2k54 s TYR 99 Cb -0.21 -2.04 0.01 0.00 -0.11 0.00 0.00 41.96 39.60 2k54 s TYR 99 CO 0.04 0.19 0.37 -2.00 -1.11 0.00 0.00 175.55 173.04 2k54 s GLU 100 N 0.20 3.24 -0.24 -0.62 2.12 0.31 -1.81 118.70 121.91 2k54 s GLU 100 Ca 0.04 -0.70 -0.11 0.00 0.36 0.00 0.00 54.97 54.56 2k54 s GLU 100 Cb -0.12 -3.91 -0.05 0.00 0.26 0.00 0.00 34.13 30.31 2k54 s GLU 100 CO 0.01 -0.70 0.18 0.08 -0.54 0.00 0.00 175.26 174.28 2k54 s VAL 101 N 1.97 5.35 -0.09 3.70 1.01 -0.52 -1.05 120.40 130.76 2k54 s VAL 101 Ca 0.10 0.22 0.02 0.00 0.00 0.00 0.00 61.98 62.32 2k54 s VAL 101 Cb -0.17 -3.52 0.01 0.00 0.00 0.00 0.00 36.38 32.70 2k54 s VAL 101 CO 0.12 0.34 -0.15 -0.70 0.00 0.00 0.00 175.10 174.71 2k54 s GLU 102 N 1.07 2.14 -1.65 2.72 2.56 0.14 -4.70 118.70 120.97 2k54 s GLU 102 Ca 0.08 -0.55 -0.00 0.00 0.00 0.00 0.00 54.97 54.50 2k54 s GLU 102 Cb -0.14 -1.76 0.00 0.00 2.00 0.00 0.00 34.13 34.24 2k54 s GLU 102 CO 0.05 0.01 0.05 0.09 -0.56 0.00 0.00 175.26 174.89 2k54 n ASN 103 N 3.94 -5.61 0.00 -1.70 3.02 -1.26 -2.45 115.26 111.20 2k54 n ASN 103 Ca -0.20 -0.04 0.00 0.00 -0.03 0.00 0.00 54.58 54.31 2k54 n ASN 103 Cb 0.52 -4.63 0.00 0.00 -0.61 0.00 0.00 39.78 35.05 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 -1.06 0.86 3.17 7.41 0.00 -1.26 -5.03 105.19 109.29 2k54 n GLY 104 Ca -0.22 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.13 1.89 -0.44 1.61 1.81 -1.02 -4.73 118.95 117.94 2k54 s ARG 105 Ca 0.00 -0.67 -0.27 0.00 -1.72 0.00 0.00 55.73 53.07 2k54 s ARG 105 Cb 0.00 -1.65 -0.05 0.00 -0.45 0.00 0.00 34.95 32.79 2k54 s ARG 105 CO 0.00 0.29 2.23 0.42 -0.68 0.00 0.00 175.30 177.56 2k54 s ILE 106 N -0.07 3.10 0.15 1.52 1.01 -0.03 -0.69 121.20 126.19 2k54 s ILE 106 Ca -0.02 0.08 0.08 0.00 0.00 0.00 0.00 60.65 60.79 2k54 s ILE 106 Cb -0.11 -3.22 -0.17 0.00 0.01 0.00 0.00 42.46 38.97 2k54 s ILE 106 CO 0.02 -0.20 1.35 0.00 0.00 0.00 0.00 174.94 176.11 2k54 h ALA 107 N 17.36 0.48 -2.85 9.38 0.00 -1.36 -1.25 119.26 141.03 2k54 h ALA 107 Ca -0.29 -0.83 -0.14 0.00 0.00 0.00 0.00 54.91 53.65 2k54 h ALA 107 Cb 1.24 -0.15 -0.23 0.00 0.00 0.00 0.00 17.79 18.65 2k54 h ALA 107 CO 1.12 1.14 -0.34 0.15 0.00 0.00 0.00 179.25 181.32 2k54 s LYS 108 N -2.90 0.45 -0.03 0.00 1.02 -0.77 -2.03 119.74 115.48 2k54 s LYS 108 Ca 0.01 0.21 0.01 0.00 0.02 0.00 0.00 55.97 56.21 2k54 s LYS 108 Cb 0.10 0.21 0.02 0.00 -0.52 0.00 0.00 37.83 37.65 2k54 s LYS 108 CO 0.81 -0.08 -0.01 0.00 -0.92 0.00 0.00 175.35 175.14 2k54 s ALA 109 N -0.33 0.38 0.06 5.17 0.00 0.12 -0.53 121.76 126.64 2k54 s ALA 109 Ca -0.05 0.09 0.02 0.00 0.00 0.00 0.00 51.96 52.03 2k54 s ALA 109 Cb -0.03 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.75 2k54 s ALA 109 CO 0.01 -0.04 -0.08 -1.58 0.00 0.00 0.00 175.76 174.08 2k54 s TRP 110 N 0.86 0.79 -0.02 0.00 0.51 -0.23 -1.24 118.94 119.62 2k54 s TRP 110 Ca -0.09 -0.61 -0.04 0.00 -2.12 0.00 0.00 56.10 53.24 2k54 s TRP 110 Cb -0.12 -0.46 0.00 0.00 -0.81 0.00 0.00 33.47 32.08 2k54 s TRP 110 CO -0.01 -0.08 0.09 -0.59 -0.51 0.00 0.00 176.95 175.85 2k54 s PHE 111 N -2.00 -0.00 -0.09 -1.98 -0.71 -1.15 -0.31 117.98 111.74 2k54 s PHE 111 Ca -0.03 0.01 0.00 0.00 -1.04 0.00 0.00 56.93 55.88 2k54 s PHE 111 Cb -0.06 -0.03 0.02 0.00 -1.21 0.00 0.00 43.02 41.75 2k54 s PHE 111 CO -0.01 -0.15 -0.07 0.15 -1.34 0.00 0.00 175.22 173.80 2k54 s LYS 112 N -0.66 1.35 -0.12 1.99 1.02 -0.57 -1.91 119.74 120.83 2k54 s LYS 112 Ca -0.07 -0.22 -0.22 0.00 0.02 0.00 0.00 55.97 55.48 2k54 s LYS 112 Cb -0.05 -1.36 -0.03 0.00 -0.52 0.00 0.00 37.83 35.87 2k54 s LYS 112 CO 0.00 -0.18 0.65 0.42 -0.92 0.00 0.00 175.35 175.32 2k54 s ILE 113 N 1.39 5.05 0.00 2.17 1.01 -1.26 -0.98 121.20 128.58 2k54 s ILE 113 Ca -0.02 1.29 0.00 0.00 0.00 0.00 0.00 60.65 61.92 2k54 s ILE 113 Cb -0.14 -3.98 0.00 0.00 0.01 0.00 0.00 42.46 38.36 2k54 s ILE 113 CO -0.04 0.20 0.48 0.61 0.00 0.00 0.00 174.94 176.19 2k54 n GLY 114 N 3.38 -2.25 3.59 6.18 0.00 0.33 -4.97 105.19 111.45 2k54 n GLY 114 Ca -0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.07 1.48 -0.18 1.61 -1.05 -1.26 -5.04 118.70 113.18 2k54 s GLU 115 Ca 0.00 -0.75 -0.29 0.00 -0.15 0.00 0.00 54.97 53.78 2k54 s GLU 115 Cb 0.00 0.58 -0.02 0.00 -0.44 0.00 0.00 34.13 34.25 2k54 s GLU 115 CO 0.00 -0.65 1.44 -1.25 0.95 0.00 0.00 175.26 175.75 2k54 s PRO 116 N -3.84 4.04 -0.04 -4.83 0.04 -1.26 -3.51 135.00 125.60 2k54 s PRO 116 Ca 0.07 1.69 -0.03 0.00 0.04 0.00 0.00 61.00 62.77 2k54 s PRO 116 Cb -0.03 -3.90 -0.04 0.00 0.04 0.00 0.00 34.50 30.57 2k54 s PRO 116 CO -0.04 -0.97 0.12 1.03 0.04 0.00 0.00 177.00 177.19 2k54 s ARG 117 N 4.05 3.27 0.15 4.56 1.81 -0.87 -5.01 118.95 126.91 2k54 s ARG 117 Ca 0.63 -0.35 0.10 0.00 -1.72 0.00 0.00 55.73 54.39 2k54 s ARG 117 Cb -0.24 -3.01 -0.04 0.00 -0.45 0.00 0.00 34.95 31.21 2k54 s ARG 117 CO 0.23 0.69 -0.22 0.42 -0.68 0.00 0.00 175.30 175.74 2k54 s ILE 118 N -1.18 2.00 0.57 1.52 -1.09 -1.26 -1.68 121.20 120.08 2k54 s ILE 118 Ca 0.22 -1.80 0.26 0.00 -2.23 0.00 0.00 60.65 57.09 2k54 s ILE 118 Cb -0.12 -1.86 0.33 0.00 -1.58 0.00 0.00 42.46 39.23 2k54 s ILE 118 CO 0.13 -0.11 2.20 0.58 -1.23 0.00 0.00 174.94 176.51 2k54 h VAL 119 N 3.61 0.66 -0.66 2.92 2.07 -1.96 0.23 116.25 123.12 2k54 h VAL 119 Ca -0.46 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.00 2k54 h VAL 119 Cb 1.19 0.97 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 2k54 h VAL 119 CO 0.44 0.00 0.20 0.77 0.02 0.00 0.00 177.57 179.00 2k54 h SER 120 N 0.00 0.97 -0.21 0.57 4.64 -1.96 -3.12 113.55 114.44 2k54 h SER 120 Ca 0.02 -0.21 0.00 0.00 -0.47 0.00 0.00 61.79 61.12 2k54 h SER 120 Cb 0.09 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 61.93 2k54 h SER 120 CO -0.00 0.93 0.00 0.00 -0.87 0.00 0.00 176.83 176.89 2k54 n GLN 121 N -4.33 2.23 -1.36 4.77 6.02 0.05 -4.93 117.38 119.82 2k54 n GLN 121 Ca 0.04 -1.83 0.00 0.00 -0.01 0.00 0.00 57.00 55.21 2k54 n GLN 121 Cb 0.23 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.01 2k54 n GLN 121 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2k54 n LYS 122 N 1.10 1.05 0.00 -1.09 4.81 0.60 -4.81 118.16 119.82 2k54 n LYS 122 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.61 2k54 n LYS 122 Cb 0.53 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.58 2k54 n LYS 122 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02