#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 5.18 -0.12 3.17 4.13 -1.26 -4.82 115.26 121.54 2k54 n ASN 2 Ca 0.00 -3.02 -0.13 0.00 1.68 0.00 0.00 54.58 53.11 2k54 n ASN 2 Cb 0.00 -1.54 -0.02 0.00 -1.54 0.00 0.00 39.78 36.67 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 6.69 0.92 0.43 6.41 0.02 -1.99 -2.99 113.55 123.03 2k54 h SER 3 Ca 0.34 -0.45 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2k54 h SER 3 Cb 0.79 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.08 2k54 h SER 3 CO 1.37 1.17 0.00 -1.84 -1.14 0.00 0.00 176.83 176.39 2k54 n GLU 4 N -4.15 0.07 -0.02 3.45 0.00 -1.26 -1.02 120.64 117.70 2k54 n GLU 4 Ca -0.02 0.38 -0.13 0.00 0.00 0.00 0.00 57.16 57.39 2k54 n GLU 4 Cb 0.50 -1.65 -0.14 0.00 0.00 0.00 0.00 31.44 30.15 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 -1.77 1.64 0.41 3.84 2.08 -1.16 -4.08 119.36 120.31 2k54 n ILE 5 Ca 0.02 -0.75 0.13 0.00 0.56 0.00 0.00 62.75 62.70 2k54 n ILE 5 Cb 0.14 -1.21 0.28 0.00 -0.75 0.00 0.00 39.64 38.10 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 0.02 0.00 0.18 0.38 5.08 -1.11 -3.29 114.58 115.84 2k54 h GLU 6 Ca -0.35 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.00 2k54 h GLU 6 Cb 2.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.28 2k54 h GLU 6 CO 0.07 0.00 -0.09 -0.07 -1.00 0.00 0.00 179.01 177.93 2k54 h LEU 7 N 0.00 -0.21 -0.25 1.33 3.38 -1.23 -0.69 115.31 117.64 2k54 h LEU 7 Ca 0.00 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 2k54 h LEU 7 Cb 0.88 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 2k54 h LEU 7 CO 0.00 -0.03 0.15 1.55 0.09 0.00 0.00 178.44 180.21 2k54 h PRO 8 N -0.39 0.34 -0.65 1.13 0.13 -1.76 -2.37 132.00 128.44 2k54 h PRO 8 Ca -0.03 -0.03 0.02 0.00 -0.87 0.00 0.00 66.00 65.10 2k54 h PRO 8 Cb 0.30 -0.07 -0.04 0.00 0.13 0.00 0.00 31.00 31.32 2k54 h PRO 8 CO 0.04 0.27 0.41 0.28 -0.23 0.00 0.00 178.00 178.77 2k54 h VAL 9 N 0.32 1.11 -0.03 1.56 2.07 -1.61 -0.12 116.25 119.54 2k54 h VAL 9 Ca 0.09 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 2k54 h VAL 9 Cb 0.01 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.00 2k54 h VAL 9 CO -0.02 0.15 -0.02 1.56 0.02 0.00 0.00 177.57 179.27 2k54 h GLN 10 N 0.82 0.06 0.00 1.57 1.08 -1.18 -3.02 115.11 114.45 2k54 h GLN 10 Ca 0.26 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.40 2k54 h GLN 10 Cb -0.01 -0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.41 2k54 h GLN 10 CO -0.09 0.47 -0.15 0.87 -0.95 0.00 0.00 178.83 178.98 2k54 h LYS 11 N -0.34 0.00 -0.12 1.46 1.79 -1.00 -1.47 116.57 116.89 2k54 h LYS 11 Ca 0.01 0.00 -0.04 0.00 -2.18 0.00 0.00 60.65 58.44 2k54 h LYS 11 Cb 0.45 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.10 2k54 h LYS 11 CO 0.00 0.15 -0.08 1.96 -1.08 0.00 0.00 179.45 180.40 2k54 h GLN 12 N 0.00 0.26 0.22 3.15 4.20 -1.09 -2.68 115.11 119.17 2k54 h GLN 12 Ca -0.00 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.59 2k54 h GLN 12 Cb 0.30 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 2k54 h GLN 12 CO 0.02 0.63 -0.23 1.25 -0.67 0.00 0.00 178.83 179.83 2k54 h LEU 13 N -0.11 -0.62 -1.14 1.46 6.46 -1.20 0.30 115.31 120.46 2k54 h LEU 13 Ca 0.02 0.06 -0.01 0.00 -0.12 0.00 0.00 57.88 57.83 2k54 h LEU 13 Cb 0.57 0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.68 2k54 h LEU 13 CO 0.02 -0.34 0.41 -0.33 -0.62 0.00 0.00 178.44 177.59 2k54 h GLU 14 N -0.49 1.00 0.00 1.25 4.39 -1.41 -0.92 114.58 118.40 2k54 h GLU 14 Ca 0.00 -0.10 -0.09 0.00 0.34 0.00 0.00 59.36 59.51 2k54 h GLU 14 Cb 0.46 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2k54 h GLU 14 CO -0.06 0.73 -0.41 0.00 -1.16 0.00 0.00 179.01 178.10 2k54 h ALA 15 N 1.44 1.06 -0.15 3.43 0.00 -1.10 -1.37 119.26 122.57 2k54 h ALA 15 Ca 0.26 -0.37 -0.21 0.00 0.00 0.00 0.00 54.91 54.59 2k54 h ALA 15 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2k54 h ALA 15 CO -0.04 0.51 -0.73 -0.92 0.00 0.00 0.00 179.25 178.07 2k54 h TYR 16 N 0.00 0.94 0.00 0.00 3.20 0.99 0.14 116.97 122.24 2k54 h TYR 16 Ca -0.00 -0.40 -0.23 0.00 3.14 0.00 0.00 58.73 61.24 2k54 h TYR 16 Cb 0.87 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.95 2k54 h TYR 16 CO 0.00 1.21 -1.46 -2.95 -1.64 0.00 0.00 178.16 173.32 2k54 h ASN 17 N 0.49 0.00 -0.05 -2.11 7.08 -1.47 -3.35 115.58 116.17 2k54 h ASN 17 Ca -0.04 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.18 2k54 h ASN 17 Cb 1.34 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.58 2k54 h ASN 17 CO 0.15 0.83 0.00 0.00 -2.08 0.00 0.00 177.43 176.33 2k54 n ALA 18 N -2.46 2.54 -1.07 4.14 0.00 -0.52 -4.96 120.51 118.19 2k54 n ALA 18 Ca -0.11 -0.51 -0.02 0.00 0.00 0.00 0.00 53.44 52.79 2k54 n ALA 18 Cb 0.95 -1.09 -0.01 0.00 0.00 0.00 0.00 19.45 19.30 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 0.43 -0.81 -2.27 0.00 5.12 0.13 -4.96 116.66 114.29 2k54 n ARG 19 Ca 0.18 0.37 -0.36 0.00 -1.93 0.00 0.00 57.85 56.11 2k54 n ARG 19 Cb 0.40 -4.09 -0.04 0.00 -1.16 0.00 0.00 32.46 27.58 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 5.71 0.47 0.55 1.01 0.24 -4.81 116.67 117.61 2k54 s ASP 20 Ca 0.00 -0.51 0.23 0.00 0.71 0.00 0.00 52.55 52.98 2k54 s ASP 20 Cb 0.00 -2.55 1.18 0.00 1.01 0.00 0.00 42.92 42.56 2k54 s ASP 20 CO 0.00 -2.16 1.98 0.40 0.21 0.00 0.00 175.17 175.60 2k54 h ILE 21 N 6.77 0.76 -0.12 0.77 1.08 -1.93 -2.18 117.51 122.66 2k54 h ILE 21 Ca -0.07 -0.78 0.00 0.00 -0.39 0.00 0.00 64.86 63.62 2k54 h ILE 21 Cb 1.06 1.47 -0.01 0.00 -3.07 0.00 0.00 36.82 36.28 2k54 h ILE 21 CO 1.28 0.19 0.08 0.44 -0.69 0.00 0.00 178.15 179.45 2k54 h ASP 22 N 0.00 0.14 0.95 1.72 3.32 -1.96 -0.77 116.42 119.81 2k54 h ASP 22 Ca -0.00 -0.01 -0.22 0.00 0.02 0.00 0.00 57.03 56.82 2k54 h ASP 22 Cb 0.46 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.94 2k54 h ASP 22 CO 0.03 0.11 -1.06 0.00 -1.72 0.00 0.00 179.24 176.60 2k54 h ALA 23 N 1.04 0.36 0.00 3.45 0.00 -1.90 -0.25 119.26 121.96 2k54 h ALA 23 Ca 0.04 -0.94 0.00 0.00 0.00 0.00 0.00 54.91 54.01 2k54 h ALA 23 Cb -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2k54 h ALA 23 CO -0.01 1.25 0.00 0.34 0.00 0.00 0.00 179.25 180.83 2k54 n PHE 24 N -3.34 0.00 -0.00 0.00 7.35 -0.82 -3.24 117.46 117.40 2k54 n PHE 24 Ca -0.02 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.67 2k54 n PHE 24 Cb 0.95 -0.34 -0.01 0.00 0.35 0.00 0.00 39.48 40.44 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 -1.34 2.82 0.25 -4.13 1.56 -0.31 -4.83 117.12 111.13 2k54 n MET 25 Ca 0.08 -0.00 0.07 0.00 -0.27 0.00 0.00 57.70 57.58 2k54 n MET 25 Cb 0.17 -1.02 0.60 0.00 2.15 0.00 0.00 33.22 35.12 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 0.05 1.92 -0.02 -5.12 0.00 -1.01 -2.05 119.26 113.02 2k54 h ALA 26 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2k54 h ALA 26 Cb 0.77 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2k54 h ALA 26 CO 0.00 0.06 -0.01 0.91 0.00 0.00 0.00 179.25 180.22 2k54 n TRP 27 N -4.48 0.00 -3.78 0.00 7.02 -1.25 -4.92 117.44 110.03 2k54 n TRP 27 Ca -0.03 0.00 -0.32 0.00 -1.02 0.00 0.00 57.50 56.13 2k54 n TRP 27 Cb 0.13 -0.00 -0.05 0.00 -2.42 0.00 0.00 31.31 28.97 2k54 n TRP 27 CO 0.00 0.00 0.00 -1.58 -2.02 0.00 0.00 177.69 174.09 2k54 s TRP 28 N -2.01 3.51 0.54 -5.99 0.52 -0.77 -1.29 118.94 113.44 2k54 s TRP 28 Ca 0.32 0.45 -0.16 0.00 0.02 0.00 0.00 56.10 56.74 2k54 s TRP 28 Cb 0.20 -1.92 -0.07 0.00 -1.15 0.00 0.00 33.47 30.54 2k54 s TRP 28 CO 0.32 0.53 1.00 0.00 0.02 0.00 0.00 176.95 178.83 2k54 s ALA 29 N -1.52 2.99 0.20 0.98 0.00 -0.29 -4.63 121.76 119.49 2k54 s ALA 29 Ca 0.36 0.22 0.26 0.00 0.00 0.00 0.00 51.96 52.79 2k54 s ALA 29 Cb -0.13 -3.14 1.09 0.00 0.00 0.00 0.00 23.12 20.94 2k54 s ALA 29 CO 0.24 -0.39 1.90 0.22 0.00 0.00 0.00 175.76 177.73 2k54 h ASP 30 N 0.76 0.00 -0.48 0.00 3.58 -1.96 -2.44 116.42 115.88 2k54 h ASP 30 Ca -0.47 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.98 2k54 h ASP 30 Cb 1.19 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.24 2k54 h ASP 30 CO 0.61 0.18 0.00 0.47 -2.88 0.00 0.00 179.24 177.62 2k54 n ASP 31 N -3.41 4.41 -4.68 2.28 9.92 -1.26 -1.75 116.55 122.06 2k54 n ASP 31 Ca -0.00 -2.59 -0.42 0.00 -0.53 0.00 0.00 54.79 51.25 2k54 n ASP 31 Cb 0.37 -0.60 -0.03 0.00 -0.64 0.00 0.00 41.12 40.23 2k54 n ASP 31 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2k54 s GLN 33 N 3.22 3.06 -0.39 0.00 -1.52 -0.42 -1.07 119.66 122.53 2k54 s GLN 33 Ca 0.77 -1.16 -0.17 0.00 -1.95 0.00 0.00 55.36 52.84 2k54 s GLN 33 Cb -0.39 -4.16 0.01 0.00 -0.22 0.00 0.00 33.01 28.25 2k54 s GLN 33 CO 0.33 -1.26 0.43 -0.47 -0.25 0.00 0.00 175.29 174.08 2k54 s TYR 34 N 2.33 3.18 0.20 0.91 5.04 0.02 -1.50 117.35 127.52 2k54 s TYR 34 Ca 0.11 -0.22 0.10 0.00 -2.44 0.00 0.00 57.07 54.61 2k54 s TYR 34 Cb -0.22 -2.86 -0.04 0.00 0.35 0.00 0.00 41.96 39.19 2k54 s TYR 34 CO 0.09 -0.62 -0.13 0.71 -1.34 0.00 0.00 175.55 174.25 2k54 s TYR 35 N 2.16 2.53 0.27 4.97 1.51 -0.85 -1.67 117.35 126.27 2k54 s TYR 35 Ca 0.13 -0.26 0.09 0.00 -1.01 0.00 0.00 57.07 56.02 2k54 s TYR 35 Cb -0.17 -1.22 -0.04 0.00 -0.11 0.00 0.00 41.96 40.42 2k54 s TYR 35 CO 0.13 0.53 0.04 0.00 -1.11 0.00 0.00 175.55 175.14 2k54 s ALA 36 N -1.80 3.26 0.18 3.71 0.00 -0.32 -2.56 121.76 124.23 2k54 s ALA 36 Ca 0.25 -1.65 -0.33 0.00 0.00 0.00 0.00 51.96 50.23 2k54 s ALA 36 Cb -0.08 -0.83 -0.15 0.00 0.00 0.00 0.00 23.12 22.06 2k54 s ALA 36 CO 0.14 0.23 1.35 1.97 0.00 0.00 0.00 175.76 179.46 2k54 n PHE 37 N -0.97 1.83 0.05 0.00 -1.74 -0.62 -1.09 117.46 114.92 2k54 n PHE 37 Ca -0.06 0.51 -0.20 0.00 -0.56 0.00 0.00 57.45 57.13 2k54 n PHE 37 Cb 0.59 -2.40 -0.11 0.00 1.52 0.00 0.00 39.48 39.08 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 4.30 0.62 0.00 3.97 0.13 -2.00 -3.41 132.00 135.61 2k54 h PRO 38 Ca -0.45 -0.71 -0.21 0.00 -0.87 0.00 0.00 66.00 63.76 2k54 h PRO 38 Cb 1.30 0.21 -0.14 0.00 0.13 0.00 0.00 31.00 32.50 2k54 h PRO 38 CO 0.76 1.30 -0.32 0.00 -0.23 0.00 0.00 178.00 179.51 2k54 n ALA 39 N -2.65 -0.61 -2.56 -0.56 0.00 -0.63 -5.06 120.51 108.45 2k54 n ALA 39 Ca -0.12 -1.24 -0.42 0.00 0.00 0.00 0.00 53.44 51.67 2k54 n ALA 39 Cb 0.87 -1.33 -0.07 0.00 0.00 0.00 0.00 19.45 18.91 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 0.21 4.97 -0.62 0.00 2.01 -0.25 -4.89 115.64 117.08 2k54 s THR 40 Ca 0.21 0.37 -0.28 0.00 0.31 0.00 0.00 61.69 62.30 2k54 s THR 40 Cb 0.31 -4.01 0.02 0.00 0.01 0.00 0.00 72.50 68.83 2k54 s THR 40 CO -0.08 -0.27 1.33 -0.22 -0.69 0.00 0.00 174.62 174.69 2k54 s LEU 41 N 2.49 3.35 0.05 4.42 2.96 -1.26 -1.18 118.68 129.51 2k54 s LEU 41 Ca 0.20 0.04 -0.11 0.00 -0.22 0.00 0.00 54.13 54.04 2k54 s LEU 41 Cb -0.15 -2.93 -0.33 0.00 0.50 0.00 0.00 46.19 43.28 2k54 s LEU 41 CO 0.14 -1.70 1.06 -0.07 -1.32 0.00 0.00 176.35 174.45 2k54 h LEU 42 N 12.86 0.68 -7.07 -0.68 -0.00 -1.68 -3.46 115.31 115.95 2k54 h LEU 42 Ca -0.26 -0.73 -0.24 0.00 -0.00 0.00 0.00 57.88 56.65 2k54 h LEU 42 Cb 1.07 -0.22 -0.33 0.00 -0.00 0.00 0.00 40.66 41.18 2k54 h LEU 42 CO 1.21 1.57 -0.56 0.00 -0.00 0.00 0.00 178.44 180.66 2k54 s ALA 43 N -2.62 -0.48 -0.72 1.53 0.00 -1.13 -4.93 121.76 113.41 2k54 s ALA 43 Ca -0.07 0.74 -0.01 0.00 0.00 0.00 0.00 51.96 52.62 2k54 s ALA 43 Cb 0.05 -1.10 0.40 0.00 0.00 0.00 0.00 23.12 22.47 2k54 s ALA 43 CO 0.92 -0.80 1.94 0.41 0.00 0.00 0.00 175.76 178.23 2k54 n GLY 44 N 5.34 5.75 0.00 0.00 0.00 -1.26 -0.80 105.19 114.22 2k54 n GLY 44 Ca -0.06 -2.44 0.00 0.00 0.00 0.00 0.00 46.02 43.53 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 -0.71 0.00 -0.05 1.61 0.23 -0.23 -4.78 115.26 111.34 2k54 n ASN 45 Ca 0.56 0.00 -0.02 0.00 -0.53 0.00 0.00 54.58 54.59 2k54 n ASN 45 Cb 0.48 0.00 0.23 0.00 -2.08 0.00 0.00 39.78 38.41 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 1.24 -0.32 -2.53 0.00 -1.48 -3.21 119.26 112.96 2k54 h ALA 46 Ca 0.00 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.68 2k54 h ALA 46 Cb 0.00 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2k54 h ALA 46 CO 0.00 0.51 0.20 0.00 0.00 0.00 0.00 179.25 179.96 2k54 h ALA 47 N 1.39 0.41 0.00 0.00 0.00 -1.92 -1.42 119.26 117.72 2k54 h ALA 47 Ca 0.12 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 2k54 h ALA 47 Cb 0.41 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2k54 h ALA 47 CO 0.02 -0.15 -0.59 0.93 0.00 0.00 0.00 179.25 179.47 2k54 h GLU 48 N 0.42 0.00 -0.06 0.00 5.08 -1.95 -2.96 114.58 115.10 2k54 h GLU 48 Ca 0.12 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2k54 h GLU 48 Cb -0.03 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 2k54 h GLU 48 CO -0.04 0.59 0.02 0.82 -1.00 0.00 0.00 179.01 179.39 2k54 h ILE 49 N 0.00 1.17 0.32 3.13 2.04 -1.46 -3.00 117.51 119.71 2k54 h ILE 49 Ca -0.01 -0.50 0.00 0.00 1.00 0.00 0.00 64.86 65.35 2k54 h ILE 49 Cb 1.07 1.39 -0.03 0.00 -0.74 0.00 0.00 36.82 38.52 2k54 h ILE 49 CO 0.08 0.14 -0.36 -0.09 0.00 0.00 0.00 178.15 177.92 2k54 h ARG 50 N -0.09 -0.69 -0.41 2.37 2.43 -1.17 -2.20 114.38 114.62 2k54 h ARG 50 Ca 0.02 0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.17 2k54 h ARG 50 Cb 0.21 0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 2k54 h ARG 50 CO -0.00 -0.46 -0.04 -0.39 -1.51 0.00 0.00 179.97 177.57 2k54 h VAL 51 N -0.72 1.23 -0.22 0.20 -1.51 -1.62 -0.04 116.25 113.59 2k54 h VAL 51 Ca -0.02 -0.99 -0.12 0.00 -1.23 0.00 0.00 66.70 64.34 2k54 h VAL 51 Cb 0.66 0.97 -0.01 0.00 -2.13 0.00 0.00 31.29 30.78 2k54 h VAL 51 CO -0.09 0.34 -0.38 -0.09 -1.23 0.00 0.00 177.57 176.12 2k54 h ARG 52 N 0.63 0.48 0.00 5.19 2.43 -1.45 -2.87 114.38 118.79 2k54 h ARG 52 Ca 0.12 -0.23 -0.16 0.00 -0.81 0.00 0.00 59.98 58.90 2k54 h ARG 52 Cb 0.45 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 2k54 h ARG 52 CO 0.02 0.79 -0.78 0.45 -1.51 0.00 0.00 179.97 178.94 2k54 h HIS 53 N 0.40 0.00 -0.90 2.20 3.86 -0.78 -3.12 115.15 116.81 2k54 h HIS 53 Ca 0.04 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.31 2k54 h HIS 53 Cb 0.85 0.00 -0.06 0.00 1.06 0.00 0.00 27.41 29.26 2k54 h HIS 53 CO 0.03 0.78 0.57 0.82 0.86 0.00 0.00 177.93 180.99 2k54 h ILE 54 N 0.00 1.07 -0.67 2.45 2.04 -0.81 0.11 117.51 121.69 2k54 h ILE 54 Ca -0.01 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.47 2k54 h ILE 54 Cb 1.52 -0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.50 2k54 h ILE 54 CO 0.10 0.19 0.31 -0.33 0.00 0.00 0.00 178.15 178.43 2k54 h GLU 55 N 1.05 0.96 0.00 2.37 5.08 -1.49 -2.00 114.58 120.54 2k54 h GLU 55 Ca 0.39 -0.13 -0.12 0.00 -1.00 0.00 0.00 59.36 58.49 2k54 h GLU 55 Cb 0.15 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2k54 h GLU 55 CO -0.17 0.75 -0.58 -0.09 -1.00 0.00 0.00 179.01 177.92 2k54 h ARG 56 N 0.96 0.00 0.00 2.33 9.65 -1.31 -3.18 114.38 122.83 2k54 h ARG 56 Ca 0.23 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.11 2k54 h ARG 56 Cb 0.11 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.69 2k54 h ARG 56 CO -0.03 0.58 0.00 0.74 2.80 0.00 0.00 179.97 184.06 2k54 h PHE 57 N 0.00 0.00 0.00 2.20 -1.00 -0.38 -2.68 116.94 115.09 2k54 h PHE 57 Ca -0.01 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.75 2k54 h PHE 57 Cb 1.42 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.98 2k54 h PHE 57 CO 0.00 0.00 -0.11 0.87 -1.61 0.00 0.00 178.31 177.46 2k54 h LYS 58 N 0.00 0.00 -6.26 1.51 1.79 -1.35 -3.43 116.57 108.82 2k54 h LYS 58 Ca 0.00 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.92 2k54 h LYS 58 Cb 0.79 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.43 2k54 h LYS 58 CO 0.00 0.11 1.13 -2.00 -1.08 0.00 0.00 179.45 177.61 2k54 s GLU 59 N -4.65 4.06 0.31 3.15 2.12 -1.01 -4.91 118.70 117.77 2k54 s GLU 59 Ca -0.04 2.14 0.13 0.00 0.36 0.00 0.00 54.97 57.56 2k54 s GLU 59 Cb 0.15 -4.04 0.50 0.00 0.26 0.00 0.00 34.13 31.01 2k54 s GLU 59 CO 0.65 -1.00 1.68 -1.00 -0.54 0.00 0.00 175.26 175.05 2k54 h PRO 60 N 10.15 0.00 0.00 4.30 0.13 -1.88 -3.12 132.00 141.58 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 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2k54 h PRO 60 CO 0.96 0.52 0.00 -0.44 -0.23 0.00 0.00 178.00 178.81 2k54 h ASP 61 N 0.00 0.00 -2.41 1.44 5.19 -1.90 -3.45 116.42 115.30 2k54 h ASP 61 Ca -0.01 0.00 -0.54 0.00 -0.62 0.00 0.00 57.03 55.87 2k54 h ASP 61 Cb 0.96 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.51 2k54 h ASP 61 CO 0.07 0.00 1.13 -0.11 -3.12 0.00 0.00 179.24 177.21 2k54 n LEU 62 N -2.78 3.99 -3.68 1.55 7.94 -1.18 -3.94 117.00 118.91 2k54 n LEU 62 Ca 0.01 0.97 -0.09 0.00 -1.11 0.00 0.00 56.01 55.78 2k54 n LEU 62 Cb 0.28 -1.52 -0.10 0.00 0.53 0.00 0.00 43.42 42.61 2k54 n LEU 62 CO 0.24 0.15 0.05 -0.47 -1.11 0.00 0.00 177.39 176.26 2k54 s TYR 63 N 3.24 -0.71 -0.39 1.96 5.04 -1.14 -4.92 117.35 120.42 2k54 s TYR 63 Ca 0.85 1.43 -0.12 0.00 -2.44 0.00 0.00 57.07 56.79 2k54 s TYR 63 Cb -0.49 0.30 0.03 0.00 0.35 0.00 0.00 41.96 42.15 2k54 s TYR 63 CO 0.40 -0.41 0.24 0.20 -1.34 0.00 0.00 175.55 174.64 2k54 s GLY 64 N 1.96 1.96 -0.26 8.97 0.00 -1.26 -1.26 107.32 117.42 2k54 s GLY 64 Ca -0.06 -1.79 0.01 0.00 0.00 0.00 0.00 44.72 42.88 2k54 s GLY 64 CO -0.13 0.89 -0.09 1.85 0.00 0.00 0.00 173.10 175.62 2k54 s GLU 65 N 1.57 2.37 0.39 2.90 2.12 -1.19 -4.82 118.70 122.05 2k54 s GLU 65 Ca 0.03 -1.27 -0.24 0.00 0.36 0.00 0.00 54.97 53.85 2k54 s GLU 65 Cb -0.20 -2.95 -0.09 0.00 0.26 0.00 0.00 34.13 31.15 2k54 s GLU 65 CO 0.07 -0.55 1.01 -1.17 -0.54 0.00 0.00 175.26 174.08 2k54 s LEU 66 N 1.16 4.13 -0.09 2.70 2.96 -1.26 -1.30 118.68 126.99 2k54 s LEU 66 Ca -0.07 1.94 -0.05 0.00 -0.22 0.00 0.00 54.13 55.73 2k54 s LEU 66 Cb -0.19 -4.23 -0.04 0.00 0.50 0.00 0.00 46.19 42.23 2k54 s LEU 66 CO -0.04 -0.40 -0.13 0.18 -1.32 0.00 0.00 176.35 174.63 2k54 n LEU 67 N -0.09 0.82 -3.56 -0.68 4.77 -0.75 -4.91 117.00 112.60 2k54 n LEU 67 Ca 0.05 0.14 -0.15 0.00 -0.03 0.00 0.00 56.01 56.01 2k54 n LEU 67 Cb 0.51 -0.33 -0.06 0.00 -2.33 0.00 0.00 43.42 41.21 2k54 n LEU 67 CO 0.43 0.10 0.33 -0.89 -1.33 0.00 0.00 177.39 176.03 2k54 s THR 68 N -2.21 0.02 -0.03 -5.08 2.01 -1.02 -5.08 115.64 104.25 2k54 s THR 68 Ca -0.14 -0.15 -0.03 0.00 0.31 0.00 0.00 61.69 61.68 2k54 s THR 68 Cb 0.05 -0.96 0.01 0.00 0.01 0.00 0.00 72.50 71.61 2k54 s THR 68 CO 0.18 -0.08 0.08 0.00 -0.69 0.00 0.00 174.62 174.11 2k54 s ARG 69 N -2.02 0.09 -0.30 4.92 1.70 -1.26 -0.89 118.95 121.19 2k54 s ARG 69 Ca -0.07 0.13 -0.04 0.00 -0.47 0.00 0.00 55.73 55.28 2k54 s ARG 69 Cb -0.01 0.03 0.04 0.00 -0.57 0.00 0.00 34.95 34.44 2k54 s ARG 69 CO 0.02 -0.02 0.03 0.14 -1.08 0.00 0.00 175.30 174.39 2k54 s VAL 70 N 0.13 3.33 -0.13 4.99 -7.23 -0.51 -4.97 120.40 116.01 2k54 s VAL 70 Ca -0.01 -1.17 -0.07 0.00 -1.81 0.00 0.00 61.98 58.92 2k54 s VAL 70 Cb -0.01 -2.85 -0.04 0.00 0.56 0.00 0.00 36.38 34.03 2k54 s VAL 70 CO -0.00 -0.06 0.14 -0.51 -0.31 0.00 0.00 175.10 174.36 2k54 s ILE 71 N 1.34 5.50 -0.29 -0.62 2.07 -1.26 -1.22 121.20 126.71 2k54 s ILE 71 Ca -0.02 0.21 -0.01 0.00 -1.41 0.00 0.00 60.65 59.42 2k54 s ILE 71 Cb -0.19 -3.41 0.13 0.00 0.13 0.00 0.00 42.46 39.12 2k54 s ILE 71 CO 0.00 0.60 0.27 0.54 -1.91 0.00 0.00 174.94 174.44 2k54 s VAL 72 N -0.91 -0.34 0.00 4.00 0.11 -0.35 -5.02 120.40 117.90 2k54 s VAL 72 Ca 0.14 -0.57 0.00 0.00 -2.93 0.00 0.00 61.98 58.62 2k54 s VAL 72 Cb -0.12 -0.97 0.00 0.00 -1.53 0.00 0.00 36.38 33.76 2k54 s VAL 72 CO 0.04 -0.52 0.00 0.61 -3.33 0.00 0.00 175.10 171.89 2k54 n GLY 73 N 5.24 3.88 0.34 6.54 0.00 -1.26 -2.39 105.19 117.54 2k54 n GLY 73 Ca -0.02 0.01 0.12 0.00 0.00 0.00 0.00 46.02 46.13 2k54 n GLY 73 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k54 n ASN 74 N 8.70 1.04 -4.04 1.61 6.94 -1.26 -4.85 115.26 123.41 2k54 n ASN 74 Ca 0.00 -1.49 -0.24 0.00 -0.02 0.00 0.00 54.58 52.84 2k54 n ASN 74 Cb 0.00 -0.04 -0.16 0.00 -2.36 0.00 0.00 39.78 37.22 2k54 n ASN 74 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2k54 s VAL 75 N -1.92 1.09 -0.05 3.53 0.11 -1.01 -1.02 120.40 121.13 2k54 s VAL 75 Ca 0.35 -0.49 0.05 0.00 -2.93 0.00 0.00 61.98 58.96 2k54 s VAL 75 Cb 0.18 -0.98 -0.02 0.00 -1.53 0.00 0.00 36.38 34.03 2k54 s VAL 75 CO 0.29 0.34 -0.18 -0.69 -3.33 0.00 0.00 175.10 171.53 2k54 s VAL 76 N 0.43 2.74 -0.52 2.04 1.01 -1.04 -1.21 120.40 123.86 2k54 s VAL 76 Ca -0.10 -0.84 -0.17 0.00 0.00 0.00 0.00 61.98 60.87 2k54 s VAL 76 Cb -0.13 -2.05 0.09 0.00 0.00 0.00 0.00 36.38 34.28 2k54 s VAL 76 CO 0.02 0.58 0.55 -0.63 0.00 0.00 0.00 175.10 175.63 2k54 s ILE 77 N -0.57 5.03 -0.52 2.22 -1.09 -0.35 -2.15 121.20 123.76 2k54 s ILE 77 Ca 0.08 -0.96 -0.18 0.00 -2.23 0.00 0.00 60.65 57.36 2k54 s ILE 77 Cb -0.11 -4.30 0.07 0.00 -1.58 0.00 0.00 42.46 36.54 2k54 s ILE 77 CO 0.01 -0.82 0.59 -0.62 -1.23 0.00 0.00 174.94 172.86 2k54 s ASP 78 N 3.04 6.20 -0.44 3.58 2.15 -0.58 -1.43 116.67 129.20 2k54 s ASP 78 Ca 0.09 -1.13 -0.15 0.00 0.43 0.00 0.00 52.55 51.79 2k54 s ASP 78 Cb -0.24 -2.27 0.04 0.00 -0.30 0.00 0.00 42.92 40.16 2k54 s ASP 78 CO 0.07 -0.88 0.34 -2.28 -0.17 0.00 0.00 175.17 172.25 2k54 s HIS 79 N 2.41 3.24 0.36 -5.34 5.65 -0.06 -1.31 115.29 120.23 2k54 s HIS 79 Ca 0.12 -0.73 0.06 0.00 0.25 0.00 0.00 55.06 54.76 2k54 s HIS 79 Cb -0.22 -2.84 -0.07 0.00 -1.18 0.00 0.00 32.58 28.27 2k54 s HIS 79 CO 0.09 -0.68 -0.00 -1.83 -0.65 0.00 0.00 174.74 171.67 2k54 s GLU 80 N 1.68 1.78 -0.33 2.88 4.04 -1.07 -1.81 118.70 125.87 2k54 s GLU 80 Ca 0.05 -1.98 0.01 0.00 0.04 0.00 0.00 54.97 53.09 2k54 s GLU 80 Cb -0.21 -1.34 0.08 0.00 0.02 0.00 0.00 34.13 32.68 2k54 s GLU 80 CO 0.09 -0.05 0.04 0.99 -1.84 0.00 0.00 175.26 174.48 2k54 s THR 81 N -2.92 2.61 -0.18 1.83 2.01 -0.42 -1.45 115.64 117.12 2k54 s THR 81 Ca 0.34 -1.93 -0.19 0.00 0.31 0.00 0.00 61.69 60.22 2k54 s THR 81 Cb 0.08 -2.72 -0.03 0.00 0.01 0.00 0.00 72.50 69.83 2k54 s THR 81 CO 0.16 -0.39 0.53 0.68 -0.69 0.00 0.00 174.62 174.91 2k54 s VAL 82 N 1.07 5.11 0.12 3.82 -7.23 -0.59 -3.17 120.40 119.52 2k54 s VAL 82 Ca 0.03 1.00 -0.30 0.00 -1.81 0.00 0.00 61.98 60.90 2k54 s VAL 82 Cb -0.20 -3.86 -0.06 0.00 0.56 0.00 0.00 36.38 32.82 2k54 s VAL 82 CO -0.05 0.19 1.07 -0.89 -0.31 0.00 0.00 175.10 175.11 2k54 s THR 83 N 1.49 4.17 0.00 5.32 2.01 -0.39 -1.31 115.64 126.94 2k54 s THR 83 Ca 0.25 1.75 0.00 0.00 0.31 0.00 0.00 61.69 64.00 2k54 s THR 83 Cb -0.15 -4.12 0.00 0.00 0.01 0.00 0.00 72.50 68.24 2k54 s THR 83 CO 0.10 0.24 0.00 0.54 -0.69 0.00 0.00 174.62 174.81 2k54 n ARG 84 N 2.96 1.33 -3.84 4.92 1.74 -0.75 -2.89 116.66 120.14 2k54 n ARG 84 Ca 0.04 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.83 2k54 n ARG 84 Cb 0.47 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.76 2k54 n ARG 84 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2k54 s ASN 85 N 0.86 3.83 -0.13 0.55 3.84 -1.25 -4.22 114.94 118.41 2k54 s ASN 85 Ca 0.00 -1.37 -0.04 0.00 0.21 0.00 0.00 52.86 51.66 2k54 s ASN 85 Cb 0.00 -1.01 -0.03 0.00 -0.55 0.00 0.00 41.25 39.66 2k54 s ASN 85 CO 0.00 -0.33 0.01 -0.36 -2.79 0.00 0.00 177.10 173.64 2k54 s PHE 86 N 1.50 3.17 0.56 0.43 0.08 -0.76 -4.95 117.98 118.01 2k54 s PHE 86 Ca 0.02 0.06 0.40 0.00 0.12 0.00 0.00 56.93 57.53 2k54 s PHE 86 Cb -0.18 -1.91 2.13 0.00 -0.57 0.00 0.00 43.02 42.49 2k54 s PHE 86 CO -0.13 0.28 2.28 -1.00 -0.10 0.00 0.00 175.22 176.55 2k54 h PRO 87 N 5.91 0.00 0.00 0.24 0.13 -2.00 -2.01 132.00 134.27 2k54 h PRO 87 Ca -0.43 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.61 2k54 h PRO 87 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2k54 h PRO 87 CO 0.61 0.01 -0.43 1.05 -0.23 0.00 0.00 178.00 179.01 2k54 h GLU 88 N 0.00 0.00 0.00 0.86 9.09 -2.03 -3.49 114.58 119.02 2k54 h GLU 88 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 2k54 h GLU 88 Cb 0.10 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.20 2k54 h GLU 88 CO 0.00 0.43 0.00 0.41 0.05 0.00 0.00 179.01 179.90 2k54 n GLY 89 N 0.55 0.18 0.00 1.06 0.00 -0.76 -5.08 105.19 101.14 2k54 n GLY 89 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.55 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 -4.36 118.16 117.15 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 -0.64 0.00 0.00 0.00 0.00 0.00 35.03 34.39 2k54 n LYS 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2k54 n GLY 91 N 1.43 1.98 3.75 3.14 0.00 -1.25 -1.83 105.19 112.41 2k54 n GLY 91 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 4.27 -0.04 1.61 1.03 -1.18 -1.80 118.70 122.60 2k54 s GLU 92 Ca 0.00 0.57 0.03 0.00 0.03 0.00 0.00 54.97 55.60 2k54 s GLU 92 Cb 0.00 -3.37 0.00 0.00 -0.80 0.00 0.00 34.13 29.97 2k54 s GLU 92 CO 0.00 0.31 -0.11 0.14 -1.33 0.00 0.00 175.26 174.28 2k54 s VAL 93 N 0.06 0.94 -0.25 1.83 -7.23 -0.42 -2.57 120.40 112.76 2k54 s VAL 93 Ca 0.28 -0.43 -0.29 0.00 -1.81 0.00 0.00 61.98 59.73 2k54 s VAL 93 Cb -0.17 -0.84 -0.00 0.00 0.56 0.00 0.00 36.38 35.93 2k54 s VAL 93 CO 0.14 0.29 1.26 -1.81 -0.31 0.00 0.00 175.10 174.66 2k54 s ASP 94 N 0.26 6.80 0.22 4.85 1.11 -1.25 -1.54 116.67 127.14 2k54 s ASP 94 Ca -0.05 1.36 0.09 0.00 0.18 0.00 0.00 52.55 54.13 2k54 s ASP 94 Cb -0.10 -2.54 -0.05 0.00 1.07 0.00 0.00 42.92 41.30 2k54 s ASP 94 CO 0.01 -0.94 -0.17 -0.69 1.18 0.00 0.00 175.17 174.56 2k54 s VAL 95 N 3.97 2.03 -0.36 -1.27 1.01 -0.53 -0.11 120.40 125.14 2k54 s VAL 95 Ca 0.54 -2.22 0.02 0.00 0.00 0.00 0.00 61.98 60.32 2k54 s VAL 95 Cb -0.18 -2.10 0.10 0.00 0.00 0.00 0.00 36.38 34.21 2k54 s VAL 95 CO 0.19 -0.46 0.09 0.00 0.00 0.00 0.00 175.10 174.92 2k54 s ALA 96 N -2.59 2.97 -0.47 5.51 0.00 -0.32 -2.60 121.76 124.27 2k54 s ALA 96 Ca 0.24 -2.55 -0.19 0.00 0.00 0.00 0.00 51.96 49.47 2k54 s ALA 96 Cb -0.03 -2.09 0.04 0.00 0.00 0.00 0.00 23.12 21.04 2k54 s ALA 96 CO 0.10 -1.72 0.55 0.00 0.00 0.00 0.00 175.76 174.69 2k54 s ILE 98 N 2.43 5.25 -0.13 0.00 -1.16 -0.07 -1.53 121.20 126.00 2k54 s ILE 98 Ca 0.14 0.57 -0.00 0.00 -0.51 0.00 0.00 60.65 60.85 2k54 s ILE 98 Cb -0.18 -3.59 0.02 0.00 0.61 0.00 0.00 42.46 39.32 2k54 s ILE 98 CO 0.13 0.56 -0.10 -0.31 -2.81 0.00 0.00 174.94 172.40 2k54 s TYR 99 N -0.77 1.77 -0.38 3.50 2.02 -0.91 -1.25 117.35 121.33 2k54 s TYR 99 Ca 0.19 -0.94 -0.16 0.00 -0.37 0.00 0.00 57.07 55.79 2k54 s TYR 99 Cb -0.14 -1.39 0.01 0.00 -0.40 0.00 0.00 41.96 40.04 2k54 s TYR 99 CO 0.08 -0.58 0.39 -2.00 -1.57 0.00 0.00 175.55 171.88 2k54 s GLU 100 N 1.62 3.31 -0.04 -0.62 2.12 0.26 -2.49 118.70 122.85 2k54 s GLU 100 Ca 0.05 -0.62 -0.12 0.00 0.36 0.00 0.00 54.97 54.64 2k54 s GLU 100 Cb -0.13 -3.89 -0.05 0.00 0.26 0.00 0.00 34.13 30.32 2k54 s GLU 100 CO -0.09 -0.69 0.32 0.08 -0.54 0.00 0.00 175.26 174.33 2k54 s VAL 101 N 2.05 5.19 -0.31 3.70 1.01 -0.19 -1.48 120.40 130.37 2k54 s VAL 101 Ca 0.11 0.63 0.00 0.00 0.00 0.00 0.00 61.98 62.73 2k54 s VAL 101 Cb -0.17 -3.61 0.10 0.00 0.00 0.00 0.00 36.38 32.70 2k54 s VAL 101 CO 0.12 0.58 0.08 -0.70 0.00 0.00 0.00 175.10 175.19 2k54 s GLU 102 N -0.99 0.86 -1.67 2.72 2.56 0.28 -4.81 118.70 117.65 2k54 s GLU 102 Ca 0.21 -1.20 -0.02 0.00 0.00 0.00 0.00 54.97 53.95 2k54 s GLU 102 Cb -0.15 -2.21 0.00 0.00 2.00 0.00 0.00 34.13 33.77 2k54 s GLU 102 CO 0.10 -0.96 0.32 0.09 -0.56 0.00 0.00 175.26 174.25 2k54 n ASN 103 N 4.74 -6.03 0.00 -1.70 3.02 -1.26 -2.23 115.26 111.80 2k54 n ASN 103 Ca -0.01 -0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.38 2k54 n ASN 103 Cb 0.42 -4.94 0.00 0.00 -0.61 0.00 0.00 39.78 34.65 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 -1.28 0.26 3.08 7.41 0.00 -1.26 -5.07 105.19 108.32 2k54 n GLY 104 Ca -0.18 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.89 1.70 -0.45 1.61 1.81 -0.95 -4.87 118.95 116.92 2k54 s ARG 105 Ca 0.00 -0.51 -0.28 0.00 -1.72 0.00 0.00 55.73 53.22 2k54 s ARG 105 Cb 0.00 -1.45 -0.01 0.00 -0.45 0.00 0.00 34.95 33.04 2k54 s ARG 105 CO 0.00 0.15 1.75 0.42 -0.68 0.00 0.00 175.30 176.93 2k54 s ILE 106 N 0.29 3.51 -0.45 1.52 1.01 -0.41 -0.55 121.20 126.12 2k54 s ILE 106 Ca -0.08 0.46 0.23 0.00 0.00 0.00 0.00 60.65 61.26 2k54 s ILE 106 Cb -0.13 -3.86 0.24 0.00 0.01 0.00 0.00 42.46 38.72 2k54 s ILE 106 CO 0.03 -0.67 1.50 0.00 0.00 0.00 0.00 174.94 175.80 2k54 h ALA 107 N 13.19 0.87 -2.64 9.38 0.00 -1.58 -0.75 119.26 137.72 2k54 h ALA 107 Ca -0.30 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.50 2k54 h ALA 107 Cb 1.15 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.69 2k54 h ALA 107 CO 1.11 0.00 -0.25 0.15 0.00 0.00 0.00 179.25 180.26 2k54 s LYS 108 N -3.22 0.45 -0.02 0.00 1.02 -1.05 -1.30 119.74 115.60 2k54 s LYS 108 Ca 0.06 0.72 -0.00 0.00 0.02 0.00 0.00 55.97 56.77 2k54 s LYS 108 Cb 0.08 0.09 0.03 0.00 -0.52 0.00 0.00 37.83 37.51 2k54 s LYS 108 CO 0.69 -0.12 0.03 0.00 -0.92 0.00 0.00 175.35 175.03 2k54 s ALA 109 N 0.92 0.14 0.15 5.17 0.00 -0.56 -0.58 121.76 127.01 2k54 s ALA 109 Ca -0.06 0.27 0.05 0.00 0.00 0.00 0.00 51.96 52.22 2k54 s ALA 109 Cb -0.06 -0.30 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 2k54 s ALA 109 CO -0.07 -0.14 -0.11 -1.58 0.00 0.00 0.00 175.76 173.85 2k54 s TRP 110 N 1.17 1.35 -0.01 0.00 0.51 -0.38 -2.01 118.94 119.57 2k54 s TRP 110 Ca -0.08 -0.69 -0.04 0.00 -2.12 0.00 0.00 56.10 53.17 2k54 s TRP 110 Cb -0.13 -0.68 -0.00 0.00 -0.81 0.00 0.00 33.47 31.85 2k54 s TRP 110 CO -0.03 0.13 0.08 -0.59 -0.51 0.00 0.00 176.95 176.04 2k54 s PHE 111 N -3.07 0.04 -0.04 -1.98 -0.71 -1.06 -0.89 117.98 110.28 2k54 s PHE 111 Ca 0.16 -0.09 -0.00 0.00 -1.04 0.00 0.00 56.93 55.96 2k54 s PHE 111 Cb 0.01 -0.05 0.03 0.00 -1.21 0.00 0.00 43.02 41.79 2k54 s PHE 111 CO 0.02 -0.18 0.00 -1.59 -1.34 0.00 0.00 175.22 172.13 2k54 s LYS 112 N -0.89 0.37 -0.16 1.99 -2.85 -0.93 -1.59 119.74 115.69 2k54 s LYS 112 Ca -0.10 0.09 -0.21 0.00 -1.00 0.00 0.00 55.97 54.75 2k54 s LYS 112 Cb -0.06 -0.60 -0.03 0.00 -2.06 0.00 0.00 37.83 35.09 2k54 s LYS 112 CO 0.00 -0.17 0.63 0.42 0.10 0.00 0.00 175.35 176.34 2k54 s ILE 113 N 1.26 5.04 0.06 3.79 1.01 -1.26 -1.17 121.20 129.92 2k54 s ILE 113 Ca -0.06 1.23 -0.36 0.00 0.00 0.00 0.00 60.65 61.46 2k54 s ILE 113 Cb -0.13 -3.96 -0.20 0.00 0.01 0.00 0.00 42.46 38.18 2k54 s ILE 113 CO -0.02 0.17 1.54 1.23 0.00 0.00 0.00 174.94 177.85 2k54 h GLY 114 N 7.69 -1.35 -2.20 6.18 0.00 -0.85 -3.49 103.07 109.06 2k54 h GLY 114 Ca -0.35 0.51 0.06 0.00 0.00 0.00 0.00 47.33 47.56 2k54 h GLY 114 CO 0.77 -0.48 0.25 -1.83 0.00 0.00 0.00 176.54 175.25 2k54 s GLU 115 N -5.82 1.66 -0.04 4.80 -1.05 -1.22 -5.06 118.70 111.97 2k54 s GLU 115 Ca -0.19 -0.88 -0.24 0.00 -0.15 0.00 0.00 54.97 53.51 2k54 s GLU 115 Cb 0.02 0.59 -0.04 0.00 -0.44 0.00 0.00 34.13 34.26 2k54 s GLU 115 CO 0.57 -0.75 0.73 -1.25 0.95 0.00 0.00 175.26 175.51 2k54 s PRO 116 N -3.84 4.45 0.17 -4.83 0.04 -1.26 -3.76 135.00 125.98 2k54 s PRO 116 Ca 0.09 0.95 0.07 0.00 0.04 0.00 0.00 61.00 62.16 2k54 s PRO 116 Cb -0.05 -3.43 -0.04 0.00 0.04 0.00 0.00 34.50 31.02 2k54 s PRO 116 CO 0.03 0.10 -0.14 1.03 0.04 0.00 0.00 177.00 178.06 2k54 s ARG 117 N 0.63 1.22 -0.06 4.56 0.52 -1.06 -5.04 118.95 119.72 2k54 s ARG 117 Ca 0.39 -1.46 0.01 0.00 -0.52 0.00 0.00 55.73 54.14 2k54 s ARG 117 Cb -0.18 -1.05 0.02 0.00 0.52 0.00 0.00 34.95 34.26 2k54 s ARG 117 CO 0.20 0.18 -0.05 0.42 0.02 0.00 0.00 175.30 176.08 2k54 s ILE 118 N -2.67 0.60 0.25 1.52 -1.09 -1.26 -3.07 121.20 115.48 2k54 s ILE 118 Ca 0.18 -0.13 -0.03 0.00 -2.23 0.00 0.00 60.65 58.44 2k54 s ILE 118 Cb -0.02 -0.64 0.23 0.00 -1.58 0.00 0.00 42.46 40.46 2k54 s ILE 118 CO 0.05 0.25 1.83 0.58 -1.23 0.00 0.00 174.94 176.43 2k54 h VAL 119 N 6.16 0.95 0.00 2.92 2.07 -1.98 -2.18 116.25 124.20 2k54 h VAL 119 Ca -0.34 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 2k54 h VAL 119 Cb 1.15 -0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2k54 h VAL 119 CO 0.43 0.17 -0.02 -1.28 0.02 0.00 0.00 177.57 176.88 2k54 h SER 120 N 0.91 0.00 -2.96 0.57 0.87 -1.99 -3.34 113.55 107.60 2k54 h SER 120 Ca 0.42 0.00 -0.75 0.00 -1.23 0.00 0.00 61.79 60.23 2k54 h SER 120 Cb 0.33 0.00 -0.22 0.00 -0.44 0.00 0.00 62.40 62.08 2k54 h SER 120 CO -0.23 0.02 0.66 -1.10 -0.53 0.00 0.00 176.83 175.66 2k54 s GLN 121 N -4.02 3.81 -0.99 2.24 -1.52 -0.82 -4.98 119.66 113.38 2k54 s GLN 121 Ca -0.03 -2.38 -0.22 0.00 -1.95 0.00 0.00 55.36 50.78 2k54 s GLN 121 Cb 0.12 -4.75 0.07 0.00 -0.22 0.00 0.00 33.01 28.23 2k54 s GLN 121 CO 0.49 -1.54 1.38 0.15 -0.25 0.00 0.00 175.29 175.52 2k54 s LYS 122 N 1.05 3.58 0.00 2.91 1.02 -1.26 -4.81 119.74 122.23 2k54 s LYS 122 Ca 0.30 -1.22 0.29 0.00 0.02 0.00 0.00 55.97 55.36 2k54 s LYS 122 Cb -0.07 -5.23 1.25 0.00 -0.52 0.00 0.00 37.83 33.26 2k54 s LYS 122 CO -0.07 -2.12 1.86 -1.13 -0.92 0.00 0.00 175.35 172.97