#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 5.60 0.05 7.83 5.03 -1.26 -4.48 115.26 128.03 2k54 n ASN 2 Ca 0.00 -2.60 -0.09 0.00 0.87 0.00 0.00 54.58 52.76 2k54 n ASN 2 Cb 0.00 -1.19 0.04 0.00 -1.02 0.00 0.00 39.78 37.61 2k54 n ASN 2 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 2k54 h SER 3 N 1.70 0.49 0.31 6.41 4.64 -2.00 -2.80 113.55 122.30 2k54 h SER 3 Ca 0.12 -0.31 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 2k54 h SER 3 Cb 1.09 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 2k54 h SER 3 CO 0.25 1.03 0.00 -1.84 -0.87 0.00 0.00 176.83 175.40 2k54 n GLU 4 N -3.86 0.30 -0.05 4.77 0.00 -1.26 -1.91 120.64 118.61 2k54 n GLU 4 Ca -0.04 0.10 -0.10 0.00 0.00 0.00 0.00 57.16 57.12 2k54 n GLU 4 Cb 0.68 -1.50 -0.15 0.00 0.00 0.00 0.00 31.44 30.47 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 -1.25 1.53 0.06 3.84 2.08 -1.06 -4.23 119.36 120.31 2k54 n ILE 5 Ca 0.09 -0.81 -0.08 0.00 0.56 0.00 0.00 62.75 62.51 2k54 n ILE 5 Cb 0.14 -0.83 0.06 0.00 -0.75 0.00 0.00 39.64 38.26 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 0.35 0.05 0.38 4.39 -1.33 -3.37 114.58 115.05 2k54 h GLU 6 Ca -0.40 -0.26 -0.00 0.00 0.34 0.00 0.00 59.36 59.03 2k54 h GLU 6 Cb 2.11 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 30.81 2k54 h GLU 6 CO 0.06 0.89 -0.03 -0.07 -1.16 0.00 0.00 179.01 178.70 2k54 h LEU 7 N 0.25 -0.06 0.23 1.33 3.38 -1.58 -1.16 115.31 117.70 2k54 h LEU 7 Ca -0.02 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 57.88 2k54 h LEU 7 Cb 1.21 0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.95 2k54 h LEU 7 CO 0.11 0.04 -0.36 1.55 0.09 0.00 0.00 178.44 179.87 2k54 h PRO 8 N -0.16 -0.64 -0.70 1.13 0.13 -1.76 -2.48 132.00 127.53 2k54 h PRO 8 Ca -0.01 0.04 0.11 0.00 -0.87 0.00 0.00 66.00 65.27 2k54 h PRO 8 Cb 0.14 0.14 -0.08 0.00 0.13 0.00 0.00 31.00 31.33 2k54 h PRO 8 CO 0.01 -0.42 0.30 0.28 -0.23 0.00 0.00 178.00 177.94 2k54 h VAL 9 N -0.66 0.77 0.13 1.56 2.07 -1.70 0.22 116.25 118.64 2k54 h VAL 9 Ca 0.00 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 2k54 h VAL 9 Cb 0.64 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 2k54 h VAL 9 CO -0.14 0.09 -0.06 -0.61 0.02 0.00 0.00 177.57 176.87 2k54 h GLN 10 N 0.50 -0.17 -0.20 1.57 -0.00 -1.14 -2.36 115.11 113.32 2k54 h GLN 10 Ca 0.36 0.01 -0.12 0.00 -0.00 0.00 0.00 58.65 58.90 2k54 h GLN 10 Cb 0.45 0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.96 2k54 h GLN 10 CO -0.32 -0.00 -0.37 0.87 0.00 0.00 0.00 178.83 179.00 2k54 h LYS 11 N -0.31 0.43 -0.45 1.69 1.79 -0.94 -2.99 116.57 115.79 2k54 h LYS 11 Ca -0.02 -0.20 -0.05 0.00 -2.18 0.00 0.00 60.65 58.20 2k54 h LYS 11 Cb 0.25 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.87 2k54 h LYS 11 CO 0.03 0.75 0.08 1.96 -1.08 0.00 0.00 179.45 181.19 2k54 h GLN 12 N 0.36 0.75 0.20 3.15 4.20 -0.90 -1.08 115.11 121.79 2k54 h GLN 12 Ca 0.04 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.54 2k54 h GLN 12 Cb 0.83 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.52 2k54 h GLN 12 CO 0.07 0.76 -0.10 1.25 -0.67 0.00 0.00 178.83 180.13 2k54 h LEU 13 N 0.61 -0.25 -0.58 1.46 7.12 -1.36 0.24 115.31 122.55 2k54 h LEU 13 Ca 0.14 0.01 0.09 0.00 0.13 0.00 0.00 57.88 58.25 2k54 h LEU 13 Cb 0.37 0.07 -0.07 0.00 -0.53 0.00 0.00 40.66 40.50 2k54 h LEU 13 CO 0.01 -0.17 0.21 -0.33 -0.13 0.00 0.00 178.44 178.03 2k54 h GLU 14 N -0.28 0.38 0.00 1.25 4.39 -1.42 -0.72 114.58 118.19 2k54 h GLU 14 Ca -0.02 -0.02 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 2k54 h GLU 14 Cb 0.22 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2k54 h GLU 14 CO 0.04 0.25 -0.30 0.00 -1.16 0.00 0.00 179.01 177.84 2k54 h ALA 15 N 1.40 1.20 -0.22 3.43 0.00 -0.96 -1.28 119.26 122.83 2k54 h ALA 15 Ca 0.29 -0.28 -0.18 0.00 0.00 0.00 0.00 54.91 54.75 2k54 h ALA 15 Cb 0.35 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2k54 h ALA 15 CO -0.29 0.38 -0.56 -0.92 0.00 0.00 0.00 179.25 177.85 2k54 h TYR 16 N 0.00 1.00 0.00 0.00 3.20 0.10 -0.09 116.97 121.18 2k54 h TYR 16 Ca -0.00 -0.38 -0.27 0.00 3.14 0.00 0.00 58.73 61.22 2k54 h TYR 16 Cb 0.67 -0.18 -0.05 0.00 1.54 0.00 0.00 36.73 38.71 2k54 h TYR 16 CO 0.00 1.19 -1.68 0.27 -1.64 0.00 0.00 178.16 176.30 2k54 n ASN 17 N -4.07 0.82 -0.17 -2.11 0.23 -1.10 -3.92 115.26 104.94 2k54 n ASN 17 Ca -0.06 0.38 0.15 0.00 -0.53 0.00 0.00 54.58 54.52 2k54 n ASN 17 Cb 0.63 0.05 0.69 0.00 -2.08 0.00 0.00 39.78 39.07 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 -2.53 2.69 -1.71 -2.53 0.00 -0.48 -4.94 120.51 111.01 2k54 n ALA 18 Ca -0.16 -0.29 -0.12 0.00 0.00 0.00 0.00 53.44 52.87 2k54 n ALA 18 Cb 1.01 -1.35 -0.03 0.00 0.00 0.00 0.00 19.45 19.08 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 -0.69 -0.91 -2.86 0.00 5.12 -0.42 -4.97 116.66 111.93 2k54 n ARG 19 Ca 0.18 0.80 -0.43 0.00 -1.93 0.00 0.00 57.85 56.47 2k54 n ARG 19 Cb 0.25 -4.89 -0.03 0.00 -1.16 0.00 0.00 32.46 26.63 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 -2.70 6.36 0.44 0.55 1.01 -0.18 -4.87 116.67 117.28 2k54 s ASP 20 Ca 0.00 -1.41 0.18 0.00 0.71 0.00 0.00 52.55 52.02 2k54 s ASP 20 Cb 0.00 -2.42 1.01 0.00 1.01 0.00 0.00 42.92 42.52 2k54 s ASP 20 CO 0.00 -1.31 1.94 0.40 0.21 0.00 0.00 175.17 176.41 2k54 h ILE 21 N 5.98 1.01 -0.27 0.77 1.08 -1.94 -2.68 117.51 121.46 2k54 h ILE 21 Ca -0.09 -0.87 0.02 0.00 -0.39 0.00 0.00 64.86 63.53 2k54 h ILE 21 Cb 1.05 1.49 -0.03 0.00 -3.07 0.00 0.00 36.82 36.27 2k54 h ILE 21 CO 1.17 0.24 0.10 -0.78 -0.69 0.00 0.00 178.15 178.19 2k54 h ASP 22 N 0.00 0.13 0.90 1.72 3.58 -1.96 0.17 116.42 120.97 2k54 h ASP 22 Ca -0.00 0.02 -0.23 0.00 0.42 0.00 0.00 57.03 57.24 2k54 h ASP 22 Cb 0.47 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.50 2k54 h ASP 22 CO 0.03 0.11 -1.09 0.00 -2.88 0.00 0.00 179.24 175.41 2k54 h ALA 23 N 1.16 0.33 0.00 -0.78 0.00 -1.93 0.11 119.26 118.15 2k54 h ALA 23 Ca 0.11 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 54.08 2k54 h ALA 23 Cb 0.07 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2k54 h ALA 23 CO -0.11 1.23 0.00 0.34 0.00 0.00 0.00 179.25 180.71 2k54 n PHE 24 N -3.36 0.00 -0.03 0.00 7.35 -1.01 -3.14 117.46 117.26 2k54 n PHE 24 Ca -0.03 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.63 2k54 n PHE 24 Cb 0.96 -0.38 -0.05 0.00 0.35 0.00 0.00 39.48 40.36 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 2.84 -0.10 -4.13 1.56 0.57 -4.82 117.12 111.66 2k54 n MET 25 Ca 0.07 -0.01 0.07 0.00 -0.27 0.00 0.00 57.70 57.56 2k54 n MET 25 Cb 0.18 -1.17 0.41 0.00 2.15 0.00 0.00 33.22 34.80 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 0.33 1.78 -0.43 -5.12 0.00 -0.92 -2.16 119.26 112.74 2k54 h ALA 26 Ca -0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2k54 h ALA 26 Cb 1.36 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.99 2k54 h ALA 26 CO 0.01 0.14 0.00 0.91 0.00 0.00 0.00 179.25 180.31 2k54 n TRP 27 N -4.47 0.57 -4.03 0.00 7.02 -1.26 -4.91 117.44 110.35 2k54 n TRP 27 Ca 0.08 -0.28 -0.23 0.00 -1.02 0.00 0.00 57.50 56.05 2k54 n TRP 27 Cb 0.20 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.06 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 -1.43 3.29 0.54 -5.99 0.52 -0.81 -1.19 118.94 113.87 2k54 s TRP 28 Ca 0.34 -0.04 -0.06 0.00 0.02 0.00 0.00 56.10 56.37 2k54 s TRP 28 Cb 0.18 -1.51 -0.02 0.00 -1.15 0.00 0.00 33.47 30.98 2k54 s TRP 28 CO 0.25 0.49 0.85 0.00 0.02 0.00 0.00 176.95 178.55 2k54 s ALA 29 N -1.98 3.35 0.27 0.98 0.00 -0.32 -4.58 121.76 119.48 2k54 s ALA 29 Ca 0.33 -0.59 0.03 0.00 0.00 0.00 0.00 51.96 51.73 2k54 s ALA 29 Cb -0.09 -2.61 0.37 0.00 0.00 0.00 0.00 23.12 20.79 2k54 s ALA 29 CO 0.27 -0.57 1.67 0.22 0.00 0.00 0.00 175.76 177.35 2k54 h ASP 30 N 0.03 0.44 -0.59 0.00 3.58 -1.97 -2.73 116.42 115.17 2k54 h ASP 30 Ca -0.46 -0.17 0.00 0.00 0.42 0.00 0.00 57.03 56.82 2k54 h ASP 30 Cb 1.23 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 42.16 2k54 h ASP 30 CO 0.61 0.76 0.00 -0.67 -2.88 0.00 0.00 179.24 177.06 2k54 n ASP 31 N -4.06 4.60 -4.64 2.28 2.03 -1.26 -2.11 116.55 113.38 2k54 n ASP 31 Ca -0.01 -2.49 -0.42 0.00 0.52 0.00 0.00 54.79 52.39 2k54 n ASP 31 Cb 0.47 -0.58 -0.03 0.00 -0.72 0.00 0.00 41.12 40.26 2k54 n ASP 31 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k54 s GLN 33 N 4.96 3.86 -0.18 0.00 -1.52 -1.02 -1.27 119.66 124.49 2k54 s GLN 33 Ca 0.92 0.67 -0.04 0.00 -1.95 0.00 0.00 55.36 54.96 2k54 s GLN 33 Cb -0.41 -2.30 0.09 0.00 -0.22 0.00 0.00 33.01 30.17 2k54 s GLN 33 CO 0.40 -0.11 0.21 -0.47 -0.25 0.00 0.00 175.29 175.07 2k54 s TYR 34 N -2.44 -0.25 0.07 0.91 5.04 0.83 -0.84 117.35 120.67 2k54 s TYR 34 Ca 0.54 0.28 0.09 0.00 -2.44 0.00 0.00 57.07 55.54 2k54 s TYR 34 Cb -0.10 -0.35 -0.03 0.00 0.35 0.00 0.00 41.96 41.82 2k54 s TYR 34 CO 0.30 -0.55 -0.22 0.71 -1.34 0.00 0.00 175.55 174.45 2k54 s TYR 35 N 2.32 2.43 0.28 4.97 1.51 -0.37 -1.51 117.35 126.97 2k54 s TYR 35 Ca 0.06 -0.33 -0.00 0.00 -1.01 0.00 0.00 57.07 55.79 2k54 s TYR 35 Cb -0.15 -1.38 -0.04 0.00 -0.11 0.00 0.00 41.96 40.28 2k54 s TYR 35 CO -0.11 0.25 0.47 0.00 -1.11 0.00 0.00 175.55 175.05 2k54 s ALA 36 N -0.95 3.76 0.17 3.71 0.00 -0.45 -2.54 121.76 125.46 2k54 s ALA 36 Ca 0.14 -0.88 -0.34 0.00 0.00 0.00 0.00 51.96 50.89 2k54 s ALA 36 Cb -0.10 -2.05 -0.14 0.00 0.00 0.00 0.00 23.12 20.83 2k54 s ALA 36 CO 0.05 0.20 1.58 1.97 0.00 0.00 0.00 175.76 179.56 2k54 n PHE 37 N -1.24 2.30 0.04 0.00 -1.74 -0.42 -1.15 117.46 115.25 2k54 n PHE 37 Ca -0.05 0.26 -0.20 0.00 -0.56 0.00 0.00 57.45 56.91 2k54 n PHE 37 Cb 0.55 -2.55 -0.12 0.00 1.52 0.00 0.00 39.48 38.89 2k54 n PHE 37 CO 0.00 0.00 0.00 -1.00 -0.56 0.00 0.00 176.76 175.20 2k54 h PRO 38 N 5.90 0.51 0.00 3.97 0.13 -1.98 -3.43 132.00 137.11 2k54 h PRO 38 Ca -0.45 -0.61 -0.19 0.00 -0.87 0.00 0.00 66.00 63.88 2k54 h PRO 38 Cb 1.25 0.19 -0.14 0.00 0.13 0.00 0.00 31.00 32.43 2k54 h PRO 38 CO 0.89 1.24 -0.35 0.00 -0.23 0.00 0.00 178.00 179.54 2k54 n ALA 39 N -2.63 -1.65 -3.02 -0.56 0.00 -0.36 -4.92 120.51 107.37 2k54 n ALA 39 Ca -0.12 -1.17 -0.37 0.00 0.00 0.00 0.00 53.44 51.78 2k54 n ALA 39 Cb 0.81 -1.71 -0.12 0.00 0.00 0.00 0.00 19.45 18.42 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 0.39 4.37 -0.38 0.00 2.01 -0.30 -4.90 115.64 116.83 2k54 s THR 40 Ca 0.26 -0.28 -0.29 0.00 0.31 0.00 0.00 61.69 61.69 2k54 s THR 40 Cb 0.26 -3.11 0.00 0.00 0.01 0.00 0.00 72.50 69.66 2k54 s THR 40 CO -0.15 0.24 1.46 -0.22 -0.69 0.00 0.00 174.62 175.27 2k54 s LEU 41 N 1.61 3.62 -0.19 4.42 0.20 -1.26 -1.34 118.68 125.73 2k54 s LEU 41 Ca 0.06 0.97 -0.20 0.00 0.69 0.00 0.00 54.13 55.65 2k54 s LEU 41 Cb -0.16 -3.54 -0.17 0.00 -0.43 0.00 0.00 46.19 41.89 2k54 s LEU 41 CO 0.04 -1.42 0.22 -0.07 -0.29 0.00 0.00 176.35 174.83 2k54 h LEU 42 N 12.23 0.00 -7.33 -0.68 -0.00 -1.65 -3.49 115.31 114.40 2k54 h LEU 42 Ca -0.29 -0.49 -0.44 0.00 -0.00 0.00 0.00 57.88 56.67 2k54 h LEU 42 Cb 1.12 0.00 -0.39 0.00 -0.00 0.00 0.00 40.66 41.38 2k54 h LEU 42 CO 1.07 1.30 -0.76 0.00 -0.00 0.00 0.00 178.44 180.05 2k54 s ALA 43 N -2.40 0.59 -0.30 1.53 0.00 -1.11 -5.00 121.76 115.07 2k54 s ALA 43 Ca -0.25 -0.17 0.12 0.00 0.00 0.00 0.00 51.96 51.65 2k54 s ALA 43 Cb 0.04 -0.84 0.78 0.00 0.00 0.00 0.00 23.12 23.11 2k54 s ALA 43 CO 0.54 -0.71 1.78 0.41 0.00 0.00 0.00 175.76 177.78 2k54 n GLY 44 N 5.19 3.33 3.61 0.00 0.00 -1.26 -0.12 105.19 115.94 2k54 n GLY 44 Ca -0.06 -0.95 -0.01 0.00 0.00 0.00 0.00 46.02 44.99 2k54 n GLY 44 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k54 s ASN 45 N -0.89 -0.05 0.34 1.61 2.20 -0.39 -4.53 114.94 113.24 2k54 s ASN 45 Ca 0.55 -0.02 0.02 0.00 -0.94 0.00 0.00 52.86 52.46 2k54 s ASN 45 Cb 0.43 0.07 0.61 0.00 -2.00 0.00 0.00 41.25 40.36 2k54 s ASN 45 CO 0.15 -0.12 2.00 0.00 -2.94 0.00 0.00 177.10 176.19 2k54 h ALA 46 N 2.00 1.54 -0.53 3.54 0.00 -1.52 -2.86 119.26 121.43 2k54 h ALA 46 Ca -0.15 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2k54 h ALA 46 Cb 1.16 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 2k54 h ALA 46 CO 0.23 0.41 0.31 0.00 0.00 0.00 0.00 179.25 180.21 2k54 h ALA 47 N 1.58 0.68 -0.12 0.00 0.00 -1.91 -0.05 119.26 119.45 2k54 h ALA 47 Ca 0.26 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.91 2k54 h ALA 47 Cb -0.06 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.52 2k54 h ALA 47 CO -0.06 0.17 -0.69 0.93 0.00 0.00 0.00 179.25 179.61 2k54 h GLU 48 N 0.71 0.50 -0.68 0.00 5.08 -1.92 -2.46 114.58 115.81 2k54 h GLU 48 Ca 0.19 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 2k54 h GLU 48 Cb 0.01 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 2k54 h GLU 48 CO -0.03 1.01 0.38 0.82 -1.00 0.00 0.00 179.01 180.18 2k54 h ILE 49 N 0.35 1.21 0.73 3.13 2.04 -1.28 -2.60 117.51 121.10 2k54 h ILE 49 Ca -0.02 -0.51 -0.04 0.00 1.00 0.00 0.00 64.86 65.29 2k54 h ILE 49 Cb 1.26 0.31 0.01 0.00 -0.74 0.00 0.00 36.82 37.66 2k54 h ILE 49 CO 0.12 0.22 -0.35 -0.09 0.00 0.00 0.00 178.15 178.06 2k54 h ARG 50 N 0.93 -0.94 -0.19 2.37 2.43 -0.85 -2.63 114.38 115.50 2k54 h ARG 50 Ca 0.24 0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 59.34 2k54 h ARG 50 Cb 0.02 0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 2k54 h ARG 50 CO -0.04 -0.61 -0.44 -0.39 -1.51 0.00 0.00 179.97 176.98 2k54 h VAL 51 N -1.10 1.31 -0.34 0.20 -1.51 -1.50 0.03 116.25 113.34 2k54 h VAL 51 Ca -0.10 -1.63 -0.10 0.00 -1.23 0.00 0.00 66.70 63.63 2k54 h VAL 51 Cb 0.77 1.65 -0.01 0.00 -2.13 0.00 0.00 31.29 31.57 2k54 h VAL 51 CO 0.16 0.50 -0.22 -0.09 -1.23 0.00 0.00 177.57 176.70 2k54 h ARG 52 N 0.38 0.66 0.00 5.19 2.43 -1.54 -2.81 114.38 118.70 2k54 h ARG 52 Ca 0.03 -0.26 -0.18 0.00 -0.81 0.00 0.00 59.98 58.76 2k54 h ARG 52 Cb 0.93 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.42 2k54 h ARG 52 CO 0.08 0.83 -0.86 0.45 -1.51 0.00 0.00 179.97 178.96 2k54 h HIS 53 N 0.59 0.01 -0.78 2.20 3.86 -1.05 -2.93 115.15 117.05 2k54 h HIS 53 Ca 0.09 -0.01 0.05 0.00 -1.16 0.00 0.00 60.37 59.34 2k54 h HIS 53 Cb 0.69 -0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.11 2k54 h HIS 53 CO 0.03 0.86 0.48 0.82 0.86 0.00 0.00 177.93 180.98 2k54 h ILE 54 N 0.00 1.06 -0.14 2.45 2.04 -0.80 0.10 117.51 122.23 2k54 h ILE 54 Ca -0.01 -0.31 -0.10 0.00 1.00 0.00 0.00 64.86 65.44 2k54 h ILE 54 Cb 1.52 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 2k54 h ILE 54 CO 0.11 0.17 -0.34 -0.33 0.00 0.00 0.00 178.15 177.76 2k54 h GLU 55 N 0.91 0.28 0.00 2.37 5.08 -1.51 -2.56 114.58 119.15 2k54 h GLU 55 Ca 0.33 -0.12 -0.14 0.00 -1.00 0.00 0.00 59.36 58.43 2k54 h GLU 55 Cb 0.10 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 2k54 h GLU 55 CO -0.14 0.60 -0.65 -0.09 -1.00 0.00 0.00 179.01 177.72 2k54 h ARG 56 N 0.25 0.00 -0.00 2.33 9.65 -1.18 -3.07 114.38 122.35 2k54 h ARG 56 Ca 0.03 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 2k54 h ARG 56 Cb 0.73 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.31 2k54 h ARG 56 CO 0.06 0.65 -0.02 1.19 2.80 0.00 0.00 179.97 184.65 2k54 n PHE 57 N -3.59 0.00 0.10 2.20 3.01 0.30 -2.49 117.46 116.99 2k54 n PHE 57 Ca -0.00 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.42 2k54 n PHE 57 Cb 0.68 -0.17 0.02 0.00 -0.01 0.00 0.00 39.48 39.99 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 0.17 0.00 -6.31 -1.08 1.79 -1.40 -3.46 116.57 106.28 2k54 h LYS 58 Ca 0.00 0.00 -0.54 0.00 -2.18 0.00 0.00 60.65 57.93 2k54 h LYS 58 Cb 0.22 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.89 2k54 h LYS 58 CO 0.00 0.80 1.27 -1.91 -1.08 0.00 0.00 179.45 178.52 2k54 n GLU 59 N -3.50 2.77 -0.06 3.15 2.13 -1.04 -4.91 120.64 119.18 2k54 n GLU 59 Ca -0.00 0.99 -0.02 0.00 0.66 0.00 0.00 57.16 58.79 2k54 n GLU 59 Cb 0.79 -3.04 0.23 0.00 0.27 0.00 0.00 31.44 29.69 2k54 n GLU 59 CO 0.00 0.00 0.00 -1.00 -0.41 0.00 0.00 177.13 175.72 2k54 h PRO 60 N 11.17 0.66 -0.42 5.31 0.13 -1.89 -2.99 132.00 143.98 2k54 h PRO 60 Ca -0.49 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.49 2k54 h PRO 60 Cb 1.24 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.28 2k54 h PRO 60 CO 0.94 0.67 0.00 -0.25 -0.23 0.00 0.00 178.00 179.13 2k54 n ASP 61 N -4.25 2.52 -4.62 1.44 8.00 -1.26 -4.86 116.55 113.51 2k54 n ASP 61 Ca 0.02 -1.95 -0.43 0.00 0.71 0.00 0.00 54.79 53.15 2k54 n ASP 61 Cb 0.26 -0.28 -0.03 0.00 -0.02 0.00 0.00 41.12 41.06 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 -1.16 3.82 -0.18 0.64 2.96 -1.13 -4.30 118.68 119.33 2k54 s LEU 62 Ca 0.33 1.66 -0.05 0.00 -0.22 0.00 0.00 54.13 55.85 2k54 s LEU 62 Cb 0.18 -3.53 0.09 0.00 0.50 0.00 0.00 46.19 43.42 2k54 s LEU 62 CO 0.24 -1.39 0.30 -0.47 -1.32 0.00 0.00 176.35 173.71 2k54 s TYR 63 N 5.74 -0.54 -0.50 5.38 5.04 -1.26 -4.89 117.35 126.32 2k54 s TYR 63 Ca 0.77 0.91 -0.18 0.00 -2.44 0.00 0.00 57.07 56.13 2k54 s TYR 63 Cb -0.26 -0.03 0.07 0.00 0.35 0.00 0.00 41.96 42.09 2k54 s TYR 63 CO 0.32 -0.49 0.53 0.20 -1.34 0.00 0.00 175.55 174.77 2k54 s GLY 64 N 2.46 1.89 -0.49 8.97 0.00 -1.26 -1.28 107.32 117.61 2k54 s GLY 64 Ca 0.04 -1.94 -0.17 0.00 0.00 0.00 0.00 44.72 42.65 2k54 s GLY 64 CO -0.11 1.30 0.49 1.85 0.00 0.00 0.00 173.10 176.64 2k54 s GLU 65 N 2.21 3.04 -0.05 2.90 2.12 -0.89 -4.72 118.70 123.32 2k54 s GLU 65 Ca 0.10 -1.17 -0.30 0.00 0.36 0.00 0.00 54.97 53.96 2k54 s GLU 65 Cb -0.22 -4.12 -0.02 0.00 0.26 0.00 0.00 34.13 30.02 2k54 s GLU 65 CO 0.09 -1.12 1.04 -1.17 -0.54 0.00 0.00 175.26 173.56 2k54 s LEU 66 N 2.05 4.31 -0.24 2.70 0.20 -1.26 -1.10 118.68 125.33 2k54 s LEU 66 Ca 0.09 1.65 -0.14 0.00 0.69 0.00 0.00 54.13 56.42 2k54 s LEU 66 Cb -0.22 -3.56 -0.16 0.00 -0.43 0.00 0.00 46.19 41.82 2k54 s LEU 66 CO 0.09 -0.40 -0.12 0.18 -0.29 0.00 0.00 176.35 175.81 2k54 n LEU 67 N 4.54 2.10 -3.78 -0.68 7.99 -0.79 -4.98 117.00 121.40 2k54 n LEU 67 Ca 0.08 0.30 -0.13 0.00 -0.01 0.00 0.00 56.01 56.25 2k54 n LEU 67 Cb 0.49 -0.90 -0.14 0.00 -0.11 0.00 0.00 43.42 42.77 2k54 n LEU 67 CO 0.53 0.55 -0.21 -0.89 -1.51 0.00 0.00 177.39 175.86 2k54 s THR 68 N -2.47 -0.03 -0.06 -5.08 2.01 -1.14 -5.08 115.64 103.79 2k54 s THR 68 Ca -0.34 0.10 0.02 0.00 0.31 0.00 0.00 61.69 61.78 2k54 s THR 68 Cb 0.11 -0.24 0.02 0.00 0.01 0.00 0.00 72.50 72.40 2k54 s THR 68 CO 0.55 0.04 -0.08 0.00 -0.69 0.00 0.00 174.62 174.44 2k54 s ARG 69 N 0.72 1.28 0.19 4.92 1.70 -1.26 -1.00 118.95 125.50 2k54 s ARG 69 Ca -0.05 -0.26 0.06 0.00 -0.47 0.00 0.00 55.73 55.01 2k54 s ARG 69 Cb -0.07 -1.15 -0.04 0.00 -0.57 0.00 0.00 34.95 33.12 2k54 s ARG 69 CO -0.04 -0.04 0.11 0.14 -1.08 0.00 0.00 175.30 174.40 2k54 s VAL 70 N 0.84 4.26 -0.01 4.99 -7.23 -0.33 -4.97 120.40 117.94 2k54 s VAL 70 Ca -0.12 -1.27 0.02 0.00 -1.81 0.00 0.00 61.98 58.80 2k54 s VAL 70 Cb -0.15 -3.20 0.00 0.00 0.56 0.00 0.00 36.38 33.59 2k54 s VAL 70 CO 0.01 -0.18 -0.06 -0.51 -0.31 0.00 0.00 175.10 174.06 2k54 s ILE 71 N -1.86 0.53 -0.27 -0.62 2.07 -1.26 -1.46 121.20 118.33 2k54 s ILE 71 Ca 0.31 -0.25 -0.01 0.00 -1.41 0.00 0.00 60.65 59.28 2k54 s ILE 71 Cb -0.09 -0.47 0.13 0.00 0.13 0.00 0.00 42.46 42.15 2k54 s ILE 71 CO 0.22 0.17 0.29 0.54 -1.91 0.00 0.00 174.94 174.25 2k54 s VAL 72 N 0.08 -0.41 0.00 4.00 0.11 -0.30 -5.02 120.40 118.86 2k54 s VAL 72 Ca -0.01 -0.40 0.00 0.00 -2.93 0.00 0.00 61.98 58.65 2k54 s VAL 72 Cb -0.05 -0.93 0.00 0.00 -1.53 0.00 0.00 36.38 33.87 2k54 s VAL 72 CO -0.00 -0.40 0.00 0.61 -3.33 0.00 0.00 175.10 171.98 2k54 n GLY 73 N 5.32 2.82 1.47 6.54 0.00 -1.26 -2.05 105.19 118.03 2k54 n GLY 73 Ca -0.03 0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.17 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 9.98 4.33 -4.17 1.61 6.94 -1.26 -4.84 115.26 127.84 2k54 n ASN 74 Ca 0.00 -2.22 -0.25 0.00 -0.02 0.00 0.00 54.58 52.09 2k54 n ASN 74 Cb 0.00 -0.53 -0.15 0.00 -2.36 0.00 0.00 39.78 36.73 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 -1.43 1.44 -0.01 3.53 1.01 -0.87 -0.99 120.40 123.09 2k54 s VAL 75 Ca 0.50 -0.77 0.06 0.00 0.00 0.00 0.00 61.98 61.76 2k54 s VAL 75 Cb 0.29 -1.21 -0.01 0.00 0.00 0.00 0.00 36.38 35.45 2k54 s VAL 75 CO 0.29 0.41 -0.18 -0.69 0.00 0.00 0.00 175.10 174.93 2k54 s VAL 76 N -0.37 1.42 -0.53 2.92 1.01 -0.97 -1.15 120.40 122.73 2k54 s VAL 76 Ca 0.06 -0.78 -0.17 0.00 0.00 0.00 0.00 61.98 61.09 2k54 s VAL 76 Cb -0.08 -1.19 0.10 0.00 0.00 0.00 0.00 36.38 35.22 2k54 s VAL 76 CO -0.00 0.40 0.54 -0.63 0.00 0.00 0.00 175.10 175.40 2k54 s ILE 77 N -0.43 5.09 -0.52 2.22 -1.09 -0.53 -2.04 121.20 123.91 2k54 s ILE 77 Ca 0.07 -1.19 -0.18 0.00 -2.23 0.00 0.00 60.65 57.12 2k54 s ILE 77 Cb -0.07 -4.32 0.07 0.00 -1.58 0.00 0.00 42.46 36.56 2k54 s ILE 77 CO -0.01 -0.86 0.60 1.51 -1.23 0.00 0.00 174.94 174.95 2k54 s ASP 78 N 3.30 6.20 -0.42 3.58 -4.77 0.35 -1.19 116.67 123.72 2k54 s ASP 78 Ca 0.06 -1.08 -0.15 0.00 -3.30 0.00 0.00 52.55 48.09 2k54 s ASP 78 Cb -0.26 -2.27 0.03 0.00 -1.09 0.00 0.00 42.92 39.32 2k54 s ASP 78 CO 0.05 -0.89 0.31 -2.28 0.70 0.00 0.00 175.17 173.07 2k54 s HIS 79 N 2.46 3.24 0.35 2.11 2.46 -0.17 -1.50 115.29 124.24 2k54 s HIS 79 Ca 0.13 -0.70 0.09 0.00 0.47 0.00 0.00 55.06 55.04 2k54 s HIS 79 Cb -0.21 -2.69 -0.07 0.00 -0.13 0.00 0.00 32.58 29.48 2k54 s HIS 79 CO 0.10 -0.64 -0.08 -1.83 -2.47 0.00 0.00 174.74 169.82 2k54 s GLU 80 N 1.66 1.82 -0.33 2.88 4.04 -0.76 -1.89 118.70 126.13 2k54 s GLU 80 Ca 0.05 -1.95 -0.00 0.00 0.04 0.00 0.00 54.97 53.10 2k54 s GLU 80 Cb -0.20 -1.66 0.08 0.00 0.02 0.00 0.00 34.13 32.36 2k54 s GLU 80 CO 0.09 0.11 0.04 0.99 -1.84 0.00 0.00 175.26 174.65 2k54 s THR 81 N -2.65 2.79 -0.13 1.83 2.01 -0.26 -0.95 115.64 118.29 2k54 s THR 81 Ca 0.33 -1.78 -0.26 0.00 0.31 0.00 0.00 61.69 60.29 2k54 s THR 81 Cb 0.04 -2.77 -0.02 0.00 0.01 0.00 0.00 72.50 69.75 2k54 s THR 81 CO 0.16 -0.34 0.83 0.68 -0.69 0.00 0.00 174.62 175.27 2k54 s VAL 82 N 1.13 4.91 0.10 3.82 -7.23 -0.50 -2.08 120.40 120.55 2k54 s VAL 82 Ca 0.01 1.66 -0.30 0.00 -1.81 0.00 0.00 61.98 61.53 2k54 s VAL 82 Cb -0.20 -4.14 -0.06 0.00 0.56 0.00 0.00 36.38 32.53 2k54 s VAL 82 CO -0.04 0.09 1.16 -0.89 -0.31 0.00 0.00 175.10 175.11 2k54 s THR 83 N 1.75 3.98 0.00 5.32 2.01 -0.41 -1.35 115.64 126.94 2k54 s THR 83 Ca 0.40 1.51 0.00 0.00 0.31 0.00 0.00 61.69 63.91 2k54 s THR 83 Cb -0.17 -3.97 0.00 0.00 0.01 0.00 0.00 72.50 68.37 2k54 s THR 83 CO 0.15 0.17 0.00 0.54 -0.69 0.00 0.00 174.62 174.79 2k54 n ARG 84 N 3.36 1.14 -3.82 4.92 1.74 -0.94 -4.10 116.66 118.97 2k54 n ARG 84 Ca 0.07 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.85 2k54 n ARG 84 Cb 0.46 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.75 2k54 n ARG 84 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2k54 s ASN 85 N -0.65 4.23 0.09 0.55 -0.87 -1.23 -4.19 114.94 112.88 2k54 s ASN 85 Ca 0.00 -1.77 0.05 0.00 -1.57 0.00 0.00 52.86 49.56 2k54 s ASN 85 Cb 0.00 -1.09 -0.04 0.00 -0.02 0.00 0.00 41.25 40.10 2k54 s ASN 85 CO 0.00 -0.40 -0.00 -0.36 -2.57 0.00 0.00 177.10 173.77 2k54 s PHE 86 N 1.41 2.99 0.39 2.20 0.08 -0.42 -4.99 117.98 119.64 2k54 s PHE 86 Ca 0.10 -0.02 0.21 0.00 0.12 0.00 0.00 56.93 57.33 2k54 s PHE 86 Cb -0.18 -1.54 1.13 0.00 -0.57 0.00 0.00 43.02 41.86 2k54 s PHE 86 CO -0.20 0.48 1.97 -1.00 -0.10 0.00 0.00 175.22 176.37 2k54 h PRO 87 N 3.50 0.00 -0.00 0.24 0.13 -2.01 -3.13 132.00 130.73 2k54 h PRO 87 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 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 0.59 0.21 -0.32 -0.85 -0.23 0.00 0.00 178.00 177.40 2k54 n GLU 88 N -3.87 0.08 0.00 0.86 0.00 -1.26 -5.02 120.64 111.43 2k54 n GLU 88 Ca -0.02 -0.04 0.00 0.00 0.00 0.00 0.00 57.16 57.10 2k54 n GLU 88 Cb 0.30 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.24 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 1.48 -0.64 0.00 -1.84 0.00 -1.18 -4.93 105.19 98.08 2k54 n GLY 89 Ca 0.07 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.36 118.16 118.15 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 -0.79 0.00 0.00 0.00 0.00 0.00 35.03 34.24 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 0.47 1.85 3.45 3.14 0.00 -1.22 -1.30 105.19 111.57 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 0.00 3.11 -0.04 1.61 1.03 -0.98 -2.20 118.70 121.23 2k54 s GLU 92 Ca 0.00 -0.87 -0.01 0.00 0.03 0.00 0.00 54.97 54.12 2k54 s GLU 92 Cb 0.00 -4.23 -0.04 0.00 -0.80 0.00 0.00 34.13 29.07 2k54 s GLU 92 CO 0.00 -1.78 0.05 0.14 -1.33 0.00 0.00 175.26 172.35 2k54 s VAL 93 N 3.90 4.60 0.24 1.83 -7.23 -0.46 -4.11 120.40 119.18 2k54 s VAL 93 Ca 0.21 -0.34 -0.27 0.00 -1.81 0.00 0.00 61.98 59.77 2k54 s VAL 93 Cb -0.18 -3.04 -0.09 0.00 0.56 0.00 0.00 36.38 33.63 2k54 s VAL 93 CO 0.10 0.44 0.89 1.51 -0.31 0.00 0.00 175.10 177.73 2k54 s ASP 94 N -1.42 7.48 0.00 4.85 -4.77 -1.25 -1.41 116.67 120.16 2k54 s ASP 94 Ca 0.19 1.81 0.01 0.00 -3.30 0.00 0.00 52.55 51.26 2k54 s ASP 94 Cb -0.12 -2.56 -0.01 0.00 -1.09 0.00 0.00 42.92 39.14 2k54 s ASP 94 CO 0.09 0.11 -0.03 -0.69 0.70 0.00 0.00 175.17 175.36 2k54 s VAL 95 N -1.29 0.22 -0.39 2.11 1.01 -0.12 -0.62 120.40 121.32 2k54 s VAL 95 Ca 0.42 -0.29 -0.06 0.00 0.00 0.00 0.00 61.98 62.05 2k54 s VAL 95 Cb -0.23 -0.23 0.08 0.00 0.00 0.00 0.00 36.38 36.00 2k54 s VAL 95 CO 0.28 -0.05 0.18 0.00 0.00 0.00 0.00 175.10 175.52 2k54 s ALA 96 N -0.34 3.15 -0.03 5.51 0.00 -0.06 -1.82 121.76 128.16 2k54 s ALA 96 Ca -0.02 -2.12 -0.16 0.00 0.00 0.00 0.00 51.96 49.66 2k54 s ALA 96 Cb -0.03 -2.43 -0.05 0.00 0.00 0.00 0.00 23.12 20.61 2k54 s ALA 96 CO -0.00 -1.58 0.43 0.00 0.00 0.00 0.00 175.76 174.61 2k54 s ILE 98 N -0.53 1.91 -0.07 0.00 2.07 -0.03 -0.50 121.20 124.06 2k54 s ILE 98 Ca 0.24 -1.37 -0.05 0.00 -1.41 0.00 0.00 60.65 58.07 2k54 s ILE 98 Cb -0.16 -2.03 -0.04 0.00 0.13 0.00 0.00 42.46 40.36 2k54 s ILE 98 CO 0.12 0.04 0.17 -0.31 -1.91 0.00 0.00 174.94 173.05 2k54 s TYR 99 N 1.24 3.58 -0.28 3.50 2.02 -0.86 -1.41 117.35 125.13 2k54 s TYR 99 Ca -0.06 0.46 -0.04 0.00 -0.37 0.00 0.00 57.07 57.06 2k54 s TYR 99 Cb -0.18 -1.90 0.02 0.00 -0.40 0.00 0.00 41.96 39.50 2k54 s TYR 99 CO -0.07 0.69 0.02 -2.00 -1.57 0.00 0.00 175.55 172.63 2k54 s GLU 100 N -1.45 2.88 -0.05 -0.62 2.12 -0.22 -2.29 118.70 119.06 2k54 s GLU 100 Ca 0.21 -0.98 -0.08 0.00 0.36 0.00 0.00 54.97 54.48 2k54 s GLU 100 Cb -0.12 -3.22 -0.05 0.00 0.26 0.00 0.00 34.13 31.00 2k54 s GLU 100 CO 0.11 -0.47 0.24 0.08 -0.54 0.00 0.00 175.26 174.68 2k54 s VAL 101 N 1.40 5.33 -0.23 3.70 1.01 -0.16 -0.71 120.40 130.75 2k54 s VAL 101 Ca 0.00 0.32 -0.04 0.00 0.00 0.00 0.00 61.98 62.26 2k54 s VAL 101 Cb -0.17 -3.53 0.09 0.00 0.00 0.00 0.00 36.38 32.77 2k54 s VAL 101 CO -0.00 0.51 0.15 -0.70 0.00 0.00 0.00 175.10 175.06 2k54 s GLU 102 N -1.32 0.15 -1.63 2.72 2.56 0.97 -4.82 118.70 117.34 2k54 s GLU 102 Ca 0.22 -0.19 -0.01 0.00 0.00 0.00 0.00 54.97 54.99 2k54 s GLU 102 Cb -0.13 -1.38 0.00 0.00 2.00 0.00 0.00 34.13 34.62 2k54 s GLU 102 CO 0.11 -0.82 0.11 0.09 -0.56 0.00 0.00 175.26 174.18 2k54 n ASN 103 N 5.28 -5.64 0.00 -1.70 3.02 -1.26 -1.81 115.26 113.15 2k54 n ASN 103 Ca -0.06 -0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.43 2k54 n ASN 103 Cb 0.46 -4.64 0.00 0.00 -0.61 0.00 0.00 39.78 35.00 2k54 n ASN 103 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2k54 n GLY 104 N -1.10 0.75 3.10 7.41 0.00 -1.26 -5.05 105.19 109.03 2k54 n GLY 104 Ca -0.21 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.55 2k54 n GLY 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k54 s ARG 105 N -0.40 1.89 -0.26 1.61 1.81 -0.75 -4.79 118.95 118.06 2k54 s ARG 105 Ca 0.00 -0.56 -0.29 0.00 -1.72 0.00 0.00 55.73 53.17 2k54 s ARG 105 Cb 0.00 -1.57 -0.02 0.00 -0.45 0.00 0.00 34.95 32.91 2k54 s ARG 105 CO 0.00 0.15 1.72 0.42 -0.68 0.00 0.00 175.30 176.91 2k54 s ILE 106 N 0.33 3.56 0.09 1.52 1.01 -0.33 -0.02 121.20 127.36 2k54 s ILE 106 Ca -0.10 0.60 -0.09 0.00 0.00 0.00 0.00 60.65 61.06 2k54 s ILE 106 Cb -0.14 -3.65 -0.24 0.00 0.01 0.00 0.00 42.46 38.45 2k54 s ILE 106 CO 0.04 -0.34 1.20 0.00 0.00 0.00 0.00 174.94 175.84 2k54 h ALA 107 N 11.79 0.18 -2.42 9.38 0.00 -1.23 -0.84 119.26 136.13 2k54 h ALA 107 Ca -0.34 -0.74 -0.11 0.00 0.00 0.00 0.00 54.91 53.72 2k54 h ALA 107 Cb 1.16 0.04 -0.20 0.00 0.00 0.00 0.00 17.79 18.80 2k54 h ALA 107 CO 1.01 0.77 -0.18 0.15 0.00 0.00 0.00 179.25 181.00 2k54 s LYS 108 N -3.13 0.75 -0.01 0.00 1.02 -1.17 -2.43 119.74 114.77 2k54 s LYS 108 Ca -0.07 -0.12 0.00 0.00 0.02 0.00 0.00 55.97 55.80 2k54 s LYS 108 Cb 0.07 0.34 0.01 0.00 -0.52 0.00 0.00 37.83 37.73 2k54 s LYS 108 CO 0.90 -0.21 0.01 0.00 -0.92 0.00 0.00 175.35 175.13 2k54 s ALA 109 N -1.34 0.04 0.11 5.17 0.00 -0.02 -1.06 121.76 124.64 2k54 s ALA 109 Ca -0.13 0.14 0.04 0.00 0.00 0.00 0.00 51.96 52.01 2k54 s ALA 109 Cb -0.04 -0.12 -0.04 0.00 0.00 0.00 0.00 23.12 22.93 2k54 s ALA 109 CO 0.05 -0.05 -0.10 -1.58 0.00 0.00 0.00 175.76 174.08 2k54 s TRP 110 N 0.50 1.11 -0.01 0.00 0.51 -0.50 -1.24 118.94 119.31 2k54 s TRP 110 Ca -0.04 -0.67 -0.08 0.00 -2.12 0.00 0.00 56.10 53.19 2k54 s TRP 110 Cb -0.06 -0.60 0.01 0.00 -0.81 0.00 0.00 33.47 32.01 2k54 s TRP 110 CO -0.01 0.02 0.17 -0.59 -0.51 0.00 0.00 176.95 176.02 2k54 s PHE 111 N -2.57 -0.02 -0.07 -1.98 -0.71 -1.05 -0.85 117.98 110.72 2k54 s PHE 111 Ca 0.07 0.00 0.03 0.00 -1.04 0.00 0.00 56.93 55.99 2k54 s PHE 111 Cb -0.02 -0.01 0.01 0.00 -1.21 0.00 0.00 43.02 41.79 2k54 s PHE 111 CO 0.00 -0.28 -0.15 -1.59 -1.34 0.00 0.00 175.22 171.86 2k54 s LYS 112 N -1.18 2.05 -0.11 1.99 -2.85 -0.58 -1.30 119.74 117.75 2k54 s LYS 112 Ca -0.13 -0.53 -0.19 0.00 -1.00 0.00 0.00 55.97 54.12 2k54 s LYS 112 Cb -0.06 -1.63 -0.04 0.00 -2.06 0.00 0.00 37.83 34.03 2k54 s LYS 112 CO 0.02 0.07 0.52 0.42 0.10 0.00 0.00 175.35 176.47 2k54 s ILE 113 N 0.58 5.16 0.00 3.79 1.01 -1.26 -0.88 121.20 129.60 2k54 s ILE 113 Ca -0.16 1.05 0.00 0.00 0.00 0.00 0.00 60.65 61.54 2k54 s ILE 113 Cb -0.16 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.45 2k54 s ILE 113 CO 0.05 0.30 0.43 0.61 0.00 0.00 0.00 174.94 176.33 2k54 n GLY 114 N 3.27 -2.35 3.40 6.18 0.00 0.21 -4.97 105.19 110.93 2k54 n GLY 114 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.86 1.21 -0.11 1.61 -1.05 -1.25 -5.04 118.70 113.21 2k54 s GLU 115 Ca 0.00 -0.67 -0.30 0.00 -0.15 0.00 0.00 54.97 53.86 2k54 s GLU 115 Cb 0.00 0.52 -0.03 0.00 -0.44 0.00 0.00 34.13 34.18 2k54 s GLU 115 CO 0.00 -0.51 1.38 -1.25 0.95 0.00 0.00 175.26 175.83 2k54 s PRO 116 N -3.80 4.23 0.16 -4.83 0.04 -1.26 -3.79 135.00 125.75 2k54 s PRO 116 Ca 0.04 1.84 0.10 0.00 0.04 0.00 0.00 61.00 63.01 2k54 s PRO 116 Cb 0.00 -3.79 -0.04 0.00 0.04 0.00 0.00 34.50 30.71 2k54 s PRO 116 CO -0.10 -0.71 -0.22 1.03 0.04 0.00 0.00 177.00 177.04 2k54 s ARG 117 N 3.42 1.36 -0.00 4.56 0.52 -1.26 -5.03 118.95 122.51 2k54 s ARG 117 Ca 0.61 -1.41 0.01 0.00 -0.52 0.00 0.00 55.73 54.42 2k54 s ARG 117 Cb -0.26 -1.60 -0.00 0.00 0.52 0.00 0.00 34.95 33.61 2k54 s ARG 117 CO 0.20 0.35 -0.04 0.42 0.02 0.00 0.00 175.30 176.25 2k54 s ILE 118 N -1.66 0.36 0.16 1.52 -1.09 -1.26 -2.32 121.20 116.91 2k54 s ILE 118 Ca 0.16 -0.19 -0.12 0.00 -2.23 0.00 0.00 60.65 58.28 2k54 s ILE 118 Cb -0.08 -0.31 0.05 0.00 -1.58 0.00 0.00 42.46 40.54 2k54 s ILE 118 CO 0.07 0.10 1.65 0.58 -1.23 0.00 0.00 174.94 176.12 2k54 h VAL 119 N 5.08 1.25 0.00 2.92 2.07 -1.93 -3.01 116.25 122.64 2k54 h VAL 119 Ca -0.28 -0.96 -0.02 0.00 0.82 0.00 0.00 66.70 66.26 2k54 h VAL 119 Cb 1.19 0.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.77 2k54 h VAL 119 CO 0.50 0.35 -0.08 -1.28 0.02 0.00 0.00 177.57 177.08 2k54 h SER 120 N 0.81 0.00 -0.46 0.57 0.87 -1.97 -2.13 113.55 111.23 2k54 h SER 120 Ca 0.17 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.73 2k54 h SER 120 Cb 0.41 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2k54 h SER 120 CO 0.01 0.08 0.00 0.00 -0.53 0.00 0.00 176.83 176.39 2k54 n GLN 121 N -3.68 4.20 -3.94 2.24 1.13 -1.15 -4.96 117.38 111.23 2k54 n GLN 121 Ca -0.02 -3.06 -0.10 0.00 -1.94 0.00 0.00 57.00 51.88 2k54 n GLN 121 Cb 0.19 -2.12 -0.10 0.00 0.11 0.00 0.00 30.24 28.32 2k54 n GLN 121 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2k54 s LYS 122 N -2.80 0.49 0.00 -1.09 2.20 -0.80 -4.91 119.74 112.82 2k54 s LYS 122 Ca 0.50 -0.66 0.22 0.00 -0.36 0.00 0.00 55.97 55.68 2k54 s LYS 122 Cb 0.39 0.19 1.31 0.00 -1.51 0.00 0.00 37.83 38.21 2k54 s LYS 122 CO 0.13 -0.11 1.69 -1.13 -0.36 0.00 0.00 175.35 175.57