#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 -5.55 -0.17 6.12 3.02 -1.26 -4.87 115.26 112.55 2k54 n ASN 2 Ca 0.00 0.29 -0.10 0.00 -0.03 0.00 0.00 54.58 54.74 2k54 n ASN 2 Cb 0.00 -4.07 0.00 0.00 -0.61 0.00 0.00 39.78 35.11 2k54 n ASN 2 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2k54 h SER 3 N 0.00 0.80 0.36 6.41 0.02 -1.98 -0.25 113.55 118.91 2k54 h SER 3 Ca -0.24 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.43 2k54 h SER 3 Cb 1.14 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.47 2k54 h SER 3 CO 0.35 0.88 0.00 1.05 -1.14 0.00 0.00 176.83 177.97 2k54 h GLU 4 N 0.69 0.00 0.00 3.45 4.11 -1.98 -0.39 114.58 120.45 2k54 h GLU 4 Ca 0.14 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.24 2k54 h GLU 4 Cb 0.45 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.64 2k54 h GLU 4 CO 0.02 0.00 -2.10 -0.89 0.07 0.00 0.00 179.01 176.10 2k54 n ILE 5 N -2.95 1.44 -0.01 -1.06 2.08 -0.64 -4.28 119.36 113.93 2k54 n ILE 5 Ca -0.01 -0.82 -0.11 0.00 0.56 0.00 0.00 62.75 62.36 2k54 n ILE 5 Cb 0.15 -0.67 0.03 0.00 -0.75 0.00 0.00 39.64 38.40 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 0.61 0.16 0.38 4.39 -0.43 -3.32 114.58 116.37 2k54 h GLU 6 Ca -0.43 -0.40 0.00 0.00 0.34 0.00 0.00 59.36 58.87 2k54 h GLU 6 Cb 2.12 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 30.81 2k54 h GLU 6 CO 0.05 1.01 -0.15 -0.07 -1.16 0.00 0.00 179.01 178.69 2k54 h LEU 7 N 0.46 -0.41 0.72 1.33 3.38 -1.28 -1.33 115.31 118.18 2k54 h LEU 7 Ca 0.00 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2k54 h LEU 7 Cb 1.14 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 42.02 2k54 h LEU 7 CO 0.11 -0.24 -0.49 1.55 0.09 0.00 0.00 178.44 179.46 2k54 h PRO 8 N -0.34 -1.11 0.00 1.13 0.13 -1.78 -2.80 132.00 127.23 2k54 h PRO 8 Ca 0.00 0.08 -0.02 0.00 -0.87 0.00 0.00 66.00 65.18 2k54 h PRO 8 Cb 0.32 0.25 -0.00 0.00 0.13 0.00 0.00 31.00 31.70 2k54 h PRO 8 CO -0.04 -0.74 -0.12 -0.39 -0.23 0.00 0.00 178.00 176.49 2k54 h VAL 9 N -1.15 1.07 0.19 1.56 -1.51 -1.65 -1.43 116.25 113.32 2k54 h VAL 9 Ca -0.09 -0.41 -0.01 0.00 -1.23 0.00 0.00 66.70 64.96 2k54 h VAL 9 Cb 0.94 1.22 0.00 0.00 -2.13 0.00 0.00 31.29 31.32 2k54 h VAL 9 CO 0.06 0.12 -0.09 -0.61 -1.23 0.00 0.00 177.57 175.82 2k54 h GLN 10 N 0.00 -0.24 -0.49 5.19 5.75 -1.27 -2.89 115.11 121.16 2k54 h GLN 10 Ca -0.00 0.02 -0.05 0.00 -0.15 0.00 0.00 58.65 58.47 2k54 h GLN 10 Cb 0.21 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.79 2k54 h GLN 10 CO 0.02 0.13 0.10 0.87 -2.65 0.00 0.00 178.83 177.30 2k54 h LYS 11 N -0.92 0.75 -0.34 1.69 1.79 -1.20 -1.69 116.57 116.64 2k54 h LYS 11 Ca -0.03 -0.15 -0.01 0.00 -2.18 0.00 0.00 60.65 58.28 2k54 h LYS 11 Cb 0.49 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.01 2k54 h LYS 11 CO 0.04 0.69 0.16 1.96 -1.08 0.00 0.00 179.45 181.23 2k54 h GLN 12 N 0.72 0.49 -0.15 3.15 4.20 -1.40 -1.37 115.11 120.76 2k54 h GLN 12 Ca 0.16 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.80 2k54 h GLN 12 Cb 0.29 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 2k54 h GLN 12 CO 0.00 0.45 0.08 1.25 -0.67 0.00 0.00 178.83 179.94 2k54 h LEU 13 N 0.42 0.12 -1.63 1.46 7.12 -1.19 0.28 115.31 121.88 2k54 h LEU 13 Ca 0.12 0.00 0.04 0.00 0.13 0.00 0.00 57.88 58.18 2k54 h LEU 13 Cb 0.12 -0.02 -0.03 0.00 -0.53 0.00 0.00 40.66 40.20 2k54 h LEU 13 CO -0.01 0.09 0.32 -0.33 -0.13 0.00 0.00 178.44 178.37 2k54 h GLU 14 N 0.16 0.46 0.00 1.25 4.39 -1.18 -0.09 114.58 119.57 2k54 h GLU 14 Ca 0.06 -0.03 -0.14 0.00 0.34 0.00 0.00 59.36 59.59 2k54 h GLU 14 Cb 0.01 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.53 2k54 h GLU 14 CO -0.04 0.30 -0.83 0.00 -1.16 0.00 0.00 179.01 177.29 2k54 h ALA 15 N 1.74 0.62 -0.22 3.43 0.00 -0.84 -3.14 119.26 120.85 2k54 h ALA 15 Ca 0.20 -0.64 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 2k54 h ALA 15 Cb 0.20 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2k54 h ALA 15 CO -0.05 0.81 -0.21 -0.92 0.00 0.00 0.00 179.25 178.88 2k54 h TYR 16 N 0.00 0.64 0.00 0.00 3.20 0.15 0.53 116.97 121.49 2k54 h TYR 16 Ca -0.05 -0.19 -0.05 0.00 3.14 0.00 0.00 58.73 61.58 2k54 h TYR 16 Cb 1.51 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.63 2k54 h TYR 16 CO 0.00 0.87 -0.24 -2.95 -1.64 0.00 0.00 178.16 174.21 2k54 h ASN 17 N 0.23 0.00 0.02 -2.11 -1.07 -1.63 -3.20 115.58 107.82 2k54 h ASN 17 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.41 2k54 h ASN 17 Cb 0.76 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.01 2k54 h ASN 17 CO 0.05 0.24 -0.04 0.00 0.07 0.00 0.00 177.43 177.75 2k54 n ALA 18 N -2.18 2.65 -0.94 4.14 0.00 -1.07 -4.92 120.51 118.20 2k54 n ALA 18 Ca 0.02 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.00 2k54 n ALA 18 Cb 0.56 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 0.13 -0.85 -2.50 0.00 5.12 -0.00 -4.96 116.66 113.59 2k54 n ARG 19 Ca 0.18 0.21 -0.41 0.00 -1.93 0.00 0.00 57.85 55.90 2k54 n ARG 19 Cb 0.37 -3.99 -0.03 0.00 -1.16 0.00 0.00 32.46 27.65 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 -2.10 6.11 0.31 0.55 1.11 -0.16 -4.86 116.67 117.64 2k54 s ASP 20 Ca 0.00 -0.50 0.01 0.00 0.18 0.00 0.00 52.55 52.24 2k54 s ASP 20 Cb 0.00 -2.56 0.51 0.00 1.07 0.00 0.00 42.92 41.95 2k54 s ASP 20 CO 0.00 -1.86 1.88 0.40 1.18 0.00 0.00 175.17 176.77 2k54 h ILE 21 N 6.21 1.20 -0.20 0.77 1.08 -1.93 -2.12 117.51 122.53 2k54 h ILE 21 Ca -0.22 -0.70 0.03 0.00 -0.39 0.00 0.00 64.86 63.58 2k54 h ILE 21 Cb 1.05 0.67 -0.03 0.00 -3.07 0.00 0.00 36.82 35.45 2k54 h ILE 21 CO 1.29 0.26 0.03 -0.78 -0.69 0.00 0.00 178.15 178.26 2k54 h ASP 22 N 0.71 -0.02 0.80 1.72 1.82 -1.95 0.17 116.42 119.67 2k54 h ASP 22 Ca 0.16 0.03 -0.24 0.00 -0.39 0.00 0.00 57.03 56.60 2k54 h ASP 22 Cb 0.23 0.05 -0.03 0.00 0.68 0.00 0.00 39.33 40.26 2k54 h ASP 22 CO -0.01 0.02 -1.24 0.00 -1.61 0.00 0.00 179.24 176.40 2k54 h ALA 23 N 1.15 0.44 0.00 -0.78 0.00 -1.95 -0.66 119.26 117.46 2k54 h ALA 23 Ca 0.09 -1.07 -0.00 0.00 0.00 0.00 0.00 54.91 53.93 2k54 h ALA 23 Cb 0.09 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 2k54 h ALA 23 CO -0.13 1.31 -0.02 0.35 0.00 0.00 0.00 179.25 180.76 2k54 h PHE 24 N 0.01 0.00 0.00 0.00 3.57 -1.08 -2.98 116.94 116.47 2k54 h PHE 24 Ca -0.11 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.39 2k54 h PHE 24 Cb 1.87 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.61 2k54 h PHE 24 CO 0.01 0.02 0.00 -1.33 -2.23 0.00 0.00 178.31 174.78 2k54 n MET 25 N -3.16 1.47 -0.04 1.11 2.81 0.57 -4.70 117.12 115.18 2k54 n MET 25 Ca -0.01 -1.11 -0.13 0.00 -1.81 0.00 0.00 57.70 54.63 2k54 n MET 25 Cb 0.22 -1.00 -0.09 0.00 -0.71 0.00 0.00 33.22 31.64 2k54 n MET 25 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2k54 h ALA 26 N 0.00 0.12 -0.24 3.04 0.00 -0.94 -3.32 119.26 117.91 2k54 h ALA 26 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2k54 h ALA 26 Cb 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2k54 h ALA 26 CO 0.00 -0.01 0.00 0.91 0.00 0.00 0.00 179.25 180.15 2k54 n TRP 27 N -4.63 0.32 -3.00 0.00 7.02 -1.26 -4.82 117.44 111.07 2k54 n TRP 27 Ca -0.07 -0.16 -0.28 0.00 -1.02 0.00 0.00 57.50 55.96 2k54 n TRP 27 Cb 0.35 0.00 -0.02 0.00 -2.42 0.00 0.00 31.31 29.22 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 -1.68 3.50 0.47 -5.99 0.52 -1.25 -2.09 118.94 112.42 2k54 s TRP 28 Ca 0.19 0.78 -0.21 0.00 0.02 0.00 0.00 56.10 56.88 2k54 s TRP 28 Cb 0.10 -2.24 -0.09 0.00 -1.15 0.00 0.00 33.47 30.09 2k54 s TRP 28 CO 0.13 -0.04 1.01 0.00 0.02 0.00 0.00 176.95 178.07 2k54 s ALA 29 N -2.38 2.93 0.39 0.98 0.00 -0.38 -4.61 121.76 118.70 2k54 s ALA 29 Ca 0.47 0.54 0.20 0.00 0.00 0.00 0.00 51.96 53.16 2k54 s ALA 29 Cb -0.10 -3.22 1.11 0.00 0.00 0.00 0.00 23.12 20.91 2k54 s ALA 29 CO 0.35 -0.16 1.97 0.22 0.00 0.00 0.00 175.76 178.14 2k54 h ASP 30 N 1.69 0.00 -0.50 0.00 3.58 -1.96 -2.28 116.42 116.94 2k54 h ASP 30 Ca -0.49 0.00 0.00 0.00 0.42 0.00 0.00 57.03 56.96 2k54 h ASP 30 Cb 1.21 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.26 2k54 h ASP 30 CO 0.60 0.21 0.00 0.47 -2.88 0.00 0.00 179.24 177.64 2k54 n ASP 31 N -3.91 5.18 -4.68 2.28 9.92 -1.26 -1.81 116.55 122.27 2k54 n ASP 31 Ca -0.02 -2.90 -0.42 0.00 -0.53 0.00 0.00 54.79 50.92 2k54 n ASP 31 Cb 0.30 -0.64 -0.03 0.00 -0.64 0.00 0.00 41.12 40.11 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 3.15 4.43 -0.20 0.00 -1.52 -0.65 -0.21 119.66 124.66 2k54 s GLN 33 Ca 0.78 1.01 -0.02 0.00 -1.95 0.00 0.00 55.36 55.17 2k54 s GLN 33 Cb -0.41 -3.22 0.06 0.00 -0.22 0.00 0.00 33.01 29.23 2k54 s GLN 33 CO 0.34 0.57 0.02 -0.47 -0.25 0.00 0.00 175.29 175.50 2k54 s TYR 34 N -1.17 1.29 0.20 0.91 5.04 0.91 -0.85 117.35 123.67 2k54 s TYR 34 Ca 0.34 -1.03 0.08 0.00 -2.44 0.00 0.00 57.07 54.03 2k54 s TYR 34 Cb -0.21 -1.13 -0.04 0.00 0.35 0.00 0.00 41.96 40.92 2k54 s TYR 34 CO 0.24 -0.64 0.01 0.71 -1.34 0.00 0.00 175.55 174.52 2k54 s TYR 35 N 1.77 2.83 0.22 4.97 1.51 -0.16 -0.92 117.35 127.57 2k54 s TYR 35 Ca -0.02 -0.15 0.08 0.00 -1.01 0.00 0.00 57.07 55.97 2k54 s TYR 35 Cb -0.17 -1.34 -0.05 0.00 -0.11 0.00 0.00 41.96 40.28 2k54 s TYR 35 CO -0.08 0.54 -0.15 0.00 -1.11 0.00 0.00 175.55 174.75 2k54 s ALA 36 N -1.86 2.18 0.16 3.71 0.00 -0.42 -2.47 121.76 123.06 2k54 s ALA 36 Ca 0.28 -1.72 -0.34 0.00 0.00 0.00 0.00 51.96 50.19 2k54 s ALA 36 Cb -0.09 -0.10 -0.15 0.00 0.00 0.00 0.00 23.12 22.78 2k54 s ALA 36 CO 0.19 0.10 1.34 1.97 0.00 0.00 0.00 175.76 179.36 2k54 n PHE 37 N -0.44 1.71 0.07 0.00 -1.74 -0.10 -1.34 117.46 115.63 2k54 n PHE 37 Ca -0.07 0.54 -0.21 0.00 -0.56 0.00 0.00 57.45 57.15 2k54 n PHE 37 Cb 0.60 -2.38 -0.13 0.00 1.52 0.00 0.00 39.48 39.10 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 4.32 0.54 0.00 3.97 0.13 -2.00 -3.43 132.00 135.53 2k54 h PRO 38 Ca -0.45 -0.72 -0.19 0.00 -0.87 0.00 0.00 66.00 63.76 2k54 h PRO 38 Cb 1.31 0.24 -0.14 0.00 0.13 0.00 0.00 31.00 32.54 2k54 h PRO 38 CO 0.77 1.31 -0.26 0.00 -0.23 0.00 0.00 178.00 179.60 2k54 n ALA 39 N -2.66 -0.97 -3.25 -0.56 0.00 -0.84 -5.04 120.51 107.19 2k54 n ALA 39 Ca -0.13 -1.11 -0.37 0.00 0.00 0.00 0.00 53.44 51.82 2k54 n ALA 39 Cb 0.91 -1.51 -0.13 0.00 0.00 0.00 0.00 19.45 18.72 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 0.19 3.81 -0.45 0.00 2.01 -0.45 -4.92 115.64 115.82 2k54 s THR 40 Ca 0.20 -0.79 -0.29 0.00 0.31 0.00 0.00 61.69 61.12 2k54 s THR 40 Cb 0.29 -2.99 0.02 0.00 0.01 0.00 0.00 72.50 69.83 2k54 s THR 40 CO -0.09 0.06 1.34 -0.22 -0.69 0.00 0.00 174.62 175.02 2k54 s LEU 41 N 1.46 3.57 -0.08 4.42 0.20 -1.26 -1.30 118.68 125.70 2k54 s LEU 41 Ca 0.02 0.66 -0.19 0.00 0.69 0.00 0.00 54.13 55.31 2k54 s LEU 41 Cb -0.17 -3.49 -0.29 0.00 -0.43 0.00 0.00 46.19 41.81 2k54 s LEU 41 CO 0.02 -1.42 0.71 -0.07 -0.29 0.00 0.00 176.35 175.29 2k54 h LEU 42 N 12.05 0.39 -7.66 -0.68 -0.00 -1.39 -3.47 115.31 114.54 2k54 h LEU 42 Ca -0.26 -0.89 -0.48 0.00 -0.00 0.00 0.00 57.88 56.25 2k54 h LEU 42 Cb 1.09 -0.13 -0.37 0.00 -0.00 0.00 0.00 40.66 41.26 2k54 h LEU 42 CO 1.11 1.49 -0.79 0.00 -0.00 0.00 0.00 178.44 180.25 2k54 s ALA 43 N -2.44 1.02 -0.55 1.53 0.00 -1.17 -5.02 121.76 115.14 2k54 s ALA 43 Ca -0.17 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 51.49 2k54 s ALA 43 Cb 0.03 -0.75 0.41 0.00 0.00 0.00 0.00 23.12 22.81 2k54 s ALA 43 CO 0.79 -0.32 1.49 0.41 0.00 0.00 0.00 175.76 178.12 2k54 n GLY 44 N 4.77 5.94 0.00 0.00 0.00 -1.26 -0.06 105.19 114.59 2k54 n GLY 44 Ca -0.13 -2.62 0.00 0.00 0.00 0.00 0.00 46.02 43.27 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 -0.60 0.00 0.27 1.61 0.23 0.70 -4.70 115.26 112.78 2k54 n ASN 45 Ca 0.47 0.00 0.13 0.00 -0.53 0.00 0.00 54.58 54.65 2k54 n ASN 45 Cb 0.61 0.00 0.76 0.00 -2.08 0.00 0.00 39.78 39.07 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 1.39 -0.43 -2.53 0.00 -1.45 -2.97 119.26 113.25 2k54 h ALA 46 Ca 0.00 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 2k54 h ALA 46 Cb 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2k54 h ALA 46 CO 0.00 0.12 0.13 0.00 0.00 0.00 0.00 179.25 179.50 2k54 h ALA 47 N 1.91 0.56 -0.01 0.00 0.00 -1.92 -1.26 119.26 118.55 2k54 h ALA 47 Ca -0.00 -0.18 -0.20 0.00 0.00 0.00 0.00 54.91 54.53 2k54 h ALA 47 Cb 0.24 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2k54 h ALA 47 CO 0.01 0.22 -0.87 0.93 0.00 0.00 0.00 179.25 179.54 2k54 h GLU 48 N 0.56 0.25 -0.46 0.00 5.08 -1.93 -3.15 114.58 114.93 2k54 h GLU 48 Ca 0.14 -0.27 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 2k54 h GLU 48 Cb 0.27 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2k54 h GLU 48 CO -0.00 0.98 0.03 0.82 -1.00 0.00 0.00 179.01 179.84 2k54 h ILE 49 N 0.15 1.26 -0.43 3.13 2.04 -1.42 -2.34 117.51 119.89 2k54 h ILE 49 Ca -0.05 -0.99 -0.07 0.00 1.00 0.00 0.00 64.86 64.75 2k54 h ILE 49 Cb 1.49 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 38.54 2k54 h ILE 49 CO 0.14 0.35 -0.02 0.08 0.00 0.00 0.00 178.15 178.69 2k54 h ARG 50 N 0.65 0.78 -0.51 2.37 0.11 -1.30 -1.98 114.38 114.50 2k54 h ARG 50 Ca 0.14 -0.26 -0.00 0.00 0.10 0.00 0.00 59.98 59.95 2k54 h ARG 50 Cb 0.45 -0.07 -0.02 0.00 1.11 0.00 0.00 29.97 31.44 2k54 h ARG 50 CO 0.02 0.86 0.30 0.28 0.10 0.00 0.00 179.97 181.53 2k54 h VAL 51 N 0.61 1.16 -0.37 0.08 2.07 -1.53 0.17 116.25 118.45 2k54 h VAL 51 Ca 0.12 -0.37 -0.04 0.00 0.82 0.00 0.00 66.70 67.22 2k54 h VAL 51 Cb 0.52 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.75 2k54 h VAL 51 CO 0.03 0.17 0.04 -0.09 0.02 0.00 0.00 177.57 177.73 2k54 h ARG 52 N 0.69 0.56 0.05 1.57 2.43 -1.28 -2.09 114.38 116.30 2k54 h ARG 52 Ca 0.18 -0.11 -0.24 0.00 -0.81 0.00 0.00 59.98 59.00 2k54 h ARG 52 Cb 0.00 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 2k54 h ARG 52 CO -0.03 0.56 -1.04 0.45 -1.51 0.00 0.00 179.97 178.39 2k54 h HIS 53 N 0.54 0.58 -0.68 2.20 3.86 -1.04 -3.28 115.15 117.33 2k54 h HIS 53 Ca 0.12 -0.35 0.08 0.00 -1.16 0.00 0.00 60.37 59.06 2k54 h HIS 53 Cb 0.29 -0.05 -0.06 0.00 1.06 0.00 0.00 27.41 28.64 2k54 h HIS 53 CO 0.01 1.19 0.35 0.82 0.86 0.00 0.00 177.93 181.16 2k54 h ILE 54 N 0.18 0.89 -0.77 2.45 2.04 -0.29 -0.42 117.51 121.58 2k54 h ILE 54 Ca -0.10 -0.21 0.09 0.00 1.00 0.00 0.00 64.86 65.64 2k54 h ILE 54 Cb 1.71 0.22 -0.07 0.00 -0.74 0.00 0.00 36.82 37.94 2k54 h ILE 54 CO 0.18 0.11 0.42 -0.33 0.00 0.00 0.00 178.15 178.53 2k54 h GLU 55 N 0.61 0.68 -0.01 2.37 5.08 -1.52 -1.23 114.58 120.56 2k54 h GLU 55 Ca 0.32 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.50 2k54 h GLU 55 Cb 0.29 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2k54 h GLU 55 CO -0.23 0.45 -0.64 -0.09 -1.00 0.00 0.00 179.01 177.50 2k54 h ARG 56 N 0.70 0.06 0.00 2.33 9.65 -1.37 -3.05 114.38 122.69 2k54 h ARG 56 Ca 0.37 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.21 2k54 h ARG 56 Cb 0.36 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.95 2k54 h ARG 56 CO -0.25 0.68 0.00 1.19 2.80 0.00 0.00 179.97 184.38 2k54 n PHE 57 N -3.80 0.00 0.77 2.20 3.01 -0.26 -2.13 117.46 117.26 2k54 n PHE 57 Ca -0.01 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.57 2k54 n PHE 57 Cb 0.63 -0.33 0.28 0.00 -0.01 0.00 0.00 39.48 40.05 2k54 n PHE 57 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2k54 n LYS 58 N -1.33 0.16 -1.96 -1.08 4.76 -0.82 -4.84 118.16 113.04 2k54 n LYS 58 Ca 0.12 0.06 -0.43 0.00 -2.87 0.00 0.00 58.31 55.19 2k54 n LYS 58 Cb 0.24 -1.61 -0.03 0.00 -1.84 0.00 0.00 35.03 31.79 2k54 n LYS 58 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2k54 s GLU 59 N -3.08 3.72 0.43 1.97 2.12 -0.90 -4.91 118.70 118.04 2k54 s GLU 59 Ca 0.09 1.85 0.19 0.00 0.36 0.00 0.00 54.97 57.47 2k54 s GLU 59 Cb 0.15 -4.11 0.97 0.00 0.26 0.00 0.00 34.13 31.40 2k54 s GLU 59 CO 0.68 -1.39 1.89 -1.00 -0.54 0.00 0.00 175.26 174.90 2k54 h PRO 60 N 11.47 0.00 -0.00 4.30 0.13 -1.88 -2.61 132.00 143.40 2k54 h PRO 60 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 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 0.99 0.27 -0.30 -0.25 -0.23 0.00 0.00 178.00 178.48 2k54 n ASP 61 N -3.81 0.77 -4.68 1.44 9.92 -1.26 -4.92 116.55 114.01 2k54 n ASP 61 Ca -0.01 -0.63 -0.46 0.00 -0.53 0.00 0.00 54.79 53.16 2k54 n ASP 61 Cb 0.37 0.12 -0.04 0.00 -0.64 0.00 0.00 41.12 40.93 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 -0.96 3.68 -3.65 0.64 7.94 -0.99 -4.08 117.00 119.59 2k54 n LEU 62 Ca 0.10 0.97 -0.11 0.00 -1.11 0.00 0.00 56.01 55.86 2k54 n LEU 62 Cb 0.34 -1.44 -0.11 0.00 0.53 0.00 0.00 43.42 42.73 2k54 n LEU 62 CO 0.28 0.02 -0.06 -0.47 -1.11 0.00 0.00 177.39 176.05 2k54 s TYR 63 N 3.62 -0.60 -0.55 1.96 5.04 -1.08 -4.95 117.35 120.78 2k54 s TYR 63 Ca 0.89 1.20 -0.22 0.00 -2.44 0.00 0.00 57.07 56.49 2k54 s TYR 63 Cb -0.60 0.11 0.05 0.00 0.35 0.00 0.00 41.96 41.87 2k54 s TYR 63 CO 0.46 -0.43 0.85 0.20 -1.34 0.00 0.00 175.55 175.29 2k54 s GLY 64 N 2.51 1.51 -0.49 8.97 0.00 -1.26 -1.19 107.32 117.37 2k54 s GLY 64 Ca 0.00 -1.46 -0.13 0.00 0.00 0.00 0.00 44.72 43.13 2k54 s GLY 64 CO -0.11 1.89 0.41 1.85 0.00 0.00 0.00 173.10 177.14 2k54 s GLU 65 N 3.58 2.82 -0.01 2.90 2.12 -1.20 -4.71 118.70 124.21 2k54 s GLU 65 Ca 0.25 -1.60 -0.26 0.00 0.36 0.00 0.00 54.97 53.72 2k54 s GLU 65 Cb -0.15 -4.11 -0.04 0.00 0.26 0.00 0.00 34.13 30.09 2k54 s GLU 65 CO 0.16 -1.18 0.82 -1.17 -0.54 0.00 0.00 175.26 173.35 2k54 s LEU 66 N 1.53 4.37 -0.04 2.70 0.20 -1.26 -1.18 118.68 125.00 2k54 s LEU 66 Ca 0.04 1.43 0.04 0.00 0.69 0.00 0.00 54.13 56.32 2k54 s LEU 66 Cb -0.27 -3.30 -0.05 0.00 -0.43 0.00 0.00 46.19 42.14 2k54 s LEU 66 CO 0.03 -0.13 0.01 0.00 -0.29 0.00 0.00 176.35 175.97 2k54 n LEU 67 N 3.55 0.22 -3.71 -0.68 -0.00 -1.00 -4.99 117.00 110.39 2k54 n LEU 67 Ca 0.01 -0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.90 2k54 n LEU 67 Cb 0.51 0.09 -0.12 0.00 -0.00 0.00 0.00 43.42 43.90 2k54 n LEU 67 CO 0.49 0.14 -0.02 -0.89 -0.00 0.00 0.00 177.39 177.11 2k54 s THR 68 N -2.11 -0.03 -0.09 1.47 2.01 -1.03 -5.08 115.64 110.79 2k54 s THR 68 Ca -0.03 0.11 -0.02 0.00 0.31 0.00 0.00 61.69 62.06 2k54 s THR 68 Cb 0.01 -0.51 0.04 0.00 0.01 0.00 0.00 72.50 72.05 2k54 s THR 68 CO 0.18 0.04 0.04 0.00 -0.69 0.00 0.00 174.62 174.19 2k54 s ARG 69 N 1.26 0.26 -0.30 4.92 1.70 -1.26 -0.49 118.95 125.05 2k54 s ARG 69 Ca -0.09 0.14 -0.09 0.00 -0.47 0.00 0.00 55.73 55.22 2k54 s ARG 69 Cb -0.09 -1.03 -0.00 0.00 -0.57 0.00 0.00 34.95 33.26 2k54 s ARG 69 CO -0.10 -0.40 0.13 0.14 -1.08 0.00 0.00 175.30 173.99 2k54 s VAL 70 N 2.06 4.42 -0.22 4.99 -7.23 -0.06 -4.96 120.40 119.42 2k54 s VAL 70 Ca 0.04 -0.47 -0.06 0.00 -1.81 0.00 0.00 61.98 59.67 2k54 s VAL 70 Cb -0.13 -3.25 -0.03 0.00 0.56 0.00 0.00 36.38 33.53 2k54 s VAL 70 CO -0.05 0.09 0.04 -0.51 -0.31 0.00 0.00 175.10 174.36 2k54 s ILE 71 N 1.58 4.28 -0.43 -0.62 2.07 -1.26 -1.06 121.20 125.76 2k54 s ILE 71 Ca 0.04 -0.20 0.03 0.00 -1.41 0.00 0.00 60.65 59.11 2k54 s ILE 71 Cb -0.17 -2.96 0.12 0.00 0.13 0.00 0.00 42.46 39.58 2k54 s ILE 71 CO 0.05 0.40 0.17 -0.69 -1.91 0.00 0.00 174.94 172.96 2k54 s VAL 72 N 1.12 2.60 0.00 4.00 1.01 -0.03 -5.01 120.40 124.09 2k54 s VAL 72 Ca 0.04 -2.72 0.00 0.00 0.00 0.00 0.00 61.98 59.30 2k54 s VAL 72 Cb -0.14 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.40 2k54 s VAL 72 CO 0.03 -0.70 0.00 0.61 0.00 0.00 0.00 175.10 175.03 2k54 n GLY 73 N 3.82 0.73 0.66 4.51 0.00 -1.26 -2.08 105.19 111.56 2k54 n GLY 73 Ca 0.04 0.49 0.07 0.00 0.00 0.00 0.00 46.02 46.62 2k54 n GLY 73 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2k54 n ASN 74 N 5.89 2.58 -4.12 1.61 5.15 -1.26 -4.81 115.26 120.30 2k54 n ASN 74 Ca 0.00 -1.76 -0.24 0.00 -0.60 0.00 0.00 54.58 51.98 2k54 n ASN 74 Cb 0.00 -0.12 -0.15 0.00 -0.53 0.00 0.00 39.78 38.97 2k54 n ASN 74 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2k54 s VAL 75 N -1.09 1.23 -0.09 3.44 1.01 -0.89 -2.49 120.40 121.53 2k54 s VAL 75 Ca 0.22 -0.65 0.02 0.00 0.00 0.00 0.00 61.98 61.57 2k54 s VAL 75 Cb 0.13 -1.04 0.01 0.00 0.00 0.00 0.00 36.38 35.48 2k54 s VAL 75 CO 0.18 0.35 -0.15 -0.69 0.00 0.00 0.00 175.10 174.80 2k54 s VAL 76 N -0.22 1.42 -0.46 2.92 1.01 -1.06 -0.85 120.40 123.16 2k54 s VAL 76 Ca 0.03 -0.62 -0.16 0.00 0.00 0.00 0.00 61.98 61.23 2k54 s VAL 76 Cb -0.08 -1.29 0.06 0.00 0.00 0.00 0.00 36.38 35.07 2k54 s VAL 76 CO 0.00 0.42 0.41 -0.63 0.00 0.00 0.00 175.10 175.30 2k54 s ILE 77 N 0.80 5.18 -0.06 2.22 1.01 -0.23 -1.09 121.20 129.04 2k54 s ILE 77 Ca -0.11 -0.86 -0.20 0.00 0.00 0.00 0.00 60.65 59.48 2k54 s ILE 77 Cb -0.16 -4.10 -0.05 0.00 0.01 0.00 0.00 42.46 38.16 2k54 s ILE 77 CO 0.02 -0.54 0.55 1.51 0.00 0.00 0.00 174.94 176.48 2k54 s ASP 78 N 2.37 6.85 -0.22 3.58 -4.77 -0.46 -0.88 116.67 123.14 2k54 s ASP 78 Ca 0.06 1.01 -0.00 0.00 -3.30 0.00 0.00 52.55 50.32 2k54 s ASP 78 Cb -0.22 -2.33 0.06 0.00 -1.09 0.00 0.00 42.92 39.33 2k54 s ASP 78 CO 0.08 0.04 -0.03 -2.28 0.70 0.00 0.00 175.17 173.69 2k54 s HIS 79 N 0.24 1.93 0.42 2.11 2.46 0.36 -1.50 115.29 121.31 2k54 s HIS 79 Ca 0.30 -1.43 0.06 0.00 0.47 0.00 0.00 55.06 54.46 2k54 s HIS 79 Cb -0.17 -1.39 -0.07 0.00 -0.13 0.00 0.00 32.58 30.82 2k54 s HIS 79 CO 0.14 -0.71 0.03 -1.83 -2.47 0.00 0.00 174.74 169.90 2k54 s GLU 80 N 1.55 2.02 -0.30 2.88 4.04 -1.21 -2.38 118.70 125.30 2k54 s GLU 80 Ca -0.04 -2.11 0.01 0.00 0.04 0.00 0.00 54.97 52.87 2k54 s GLU 80 Cb -0.18 -1.67 0.09 0.00 0.02 0.00 0.00 34.13 32.39 2k54 s GLU 80 CO -0.07 -0.10 0.04 0.99 -1.84 0.00 0.00 175.26 174.28 2k54 s THR 81 N -2.72 1.56 -0.15 1.83 2.01 -0.32 -2.81 115.64 115.04 2k54 s THR 81 Ca 0.32 -1.70 -0.25 0.00 0.31 0.00 0.00 61.69 60.36 2k54 s THR 81 Cb 0.08 -2.08 -0.02 0.00 0.01 0.00 0.00 72.50 70.50 2k54 s THR 81 CO 0.17 -0.50 0.83 0.68 -0.69 0.00 0.00 174.62 175.11 2k54 s VAL 82 N 1.29 4.89 0.03 3.82 -7.23 -0.28 -3.21 120.40 119.71 2k54 s VAL 82 Ca 0.06 1.65 -0.30 0.00 -1.81 0.00 0.00 61.98 61.58 2k54 s VAL 82 Cb -0.18 -4.14 -0.07 0.00 0.56 0.00 0.00 36.38 32.54 2k54 s VAL 82 CO -0.14 0.05 1.61 -0.89 -0.31 0.00 0.00 175.10 175.41 2k54 s THR 83 N 2.01 3.30 0.03 5.32 2.01 -0.33 -1.85 115.64 126.13 2k54 s THR 83 Ca 0.39 0.65 0.00 0.00 0.31 0.00 0.00 61.69 63.05 2k54 s THR 83 Cb -0.17 -3.42 -0.00 0.00 0.01 0.00 0.00 72.50 68.92 2k54 s THR 83 CO 0.13 -0.02 0.01 0.54 -0.69 0.00 0.00 174.62 174.60 2k54 n ARG 84 N 5.91 0.99 -3.85 4.92 1.74 -0.89 -2.65 116.66 122.83 2k54 n ARG 84 Ca 0.16 -0.22 -0.30 0.00 -0.77 0.00 0.00 57.85 56.71 2k54 n ARG 84 Cb 0.42 0.12 -0.15 0.00 -1.02 0.00 0.00 32.46 31.83 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 -1.16 4.26 -0.11 0.55 3.84 -1.24 -3.85 114.94 117.23 2k54 s ASN 85 Ca 0.01 -2.13 -0.06 0.00 0.21 0.00 0.00 52.86 50.89 2k54 s ASN 85 Cb 0.00 -1.25 -0.04 0.00 -0.55 0.00 0.00 41.25 39.41 2k54 s ASN 85 CO 0.01 -0.36 0.12 -0.36 -2.79 0.00 0.00 177.10 173.72 2k54 s PHE 86 N 0.95 3.54 0.09 0.43 0.40 -0.51 -4.95 117.98 117.94 2k54 s PHE 86 Ca 0.12 0.48 0.32 0.00 -0.60 0.00 0.00 56.93 57.25 2k54 s PHE 86 Cb -0.20 -1.91 1.58 0.00 0.51 0.00 0.00 43.02 43.00 2k54 s PHE 86 CO -0.12 0.70 1.98 -1.00 0.70 0.00 0.00 175.22 177.48 2k54 h PRO 87 N 4.94 0.00 -0.00 0.24 0.13 -1.99 -2.23 132.00 133.09 2k54 h PRO 87 Ca -0.54 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 2k54 h PRO 87 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2k54 h PRO 87 CO 0.58 0.00 -0.17 -0.85 -0.23 0.00 0.00 178.00 177.33 2k54 n GLU 88 N -2.73 0.09 0.00 0.86 0.00 -1.26 -5.01 120.64 112.60 2k54 n GLU 88 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 57.16 57.13 2k54 n GLU 88 Cb 0.16 -1.50 0.00 0.00 0.00 0.00 0.00 31.44 30.10 2k54 n GLU 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2k54 n GLY 89 N 1.47 -0.46 0.00 -1.84 0.00 -0.84 -4.99 105.19 98.52 2k54 n GLY 89 Ca 0.08 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 -4.15 118.16 117.36 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 -0.67 0.00 0.00 0.00 0.00 0.00 35.03 34.36 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 0.68 1.99 3.52 3.14 0.00 -1.22 -1.42 105.19 111.88 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 -0.02 3.33 -0.02 1.61 -1.05 -0.51 -2.10 118.70 119.94 2k54 s GLU 92 Ca 0.00 -0.29 0.04 0.00 -0.15 0.00 0.00 54.97 54.57 2k54 s GLU 92 Cb 0.00 -3.98 -0.03 0.00 -0.44 0.00 0.00 34.13 29.68 2k54 s GLU 92 CO 0.00 -1.18 -0.11 0.14 0.95 0.00 0.00 175.26 175.06 2k54 s VAL 93 N 3.24 3.34 0.02 1.83 -7.23 -0.77 -1.04 120.40 119.79 2k54 s VAL 93 Ca 0.27 -0.77 -0.08 0.00 -1.81 0.00 0.00 61.98 59.59 2k54 s VAL 93 Cb -0.13 -2.39 -0.05 0.00 0.56 0.00 0.00 36.38 34.37 2k54 s VAL 93 CO 0.20 0.48 0.30 1.51 -0.31 0.00 0.00 175.10 177.28 2k54 s ASP 94 N -1.10 6.53 -0.01 4.85 -4.77 -1.09 -1.12 116.67 119.95 2k54 s ASP 94 Ca 0.14 0.62 0.01 0.00 -3.30 0.00 0.00 52.55 50.02 2k54 s ASP 94 Cb -0.11 -2.11 0.01 0.00 -1.09 0.00 0.00 42.92 39.62 2k54 s ASP 94 CO 0.04 0.25 -0.03 -0.69 0.70 0.00 0.00 175.17 175.43 2k54 s VAL 95 N -1.30 0.31 -0.57 2.11 1.01 -1.12 -0.34 120.40 120.50 2k54 s VAL 95 Ca 0.28 -0.11 -0.15 0.00 0.00 0.00 0.00 61.98 62.00 2k54 s VAL 95 Cb -0.13 -0.30 0.14 0.00 0.00 0.00 0.00 36.38 36.08 2k54 s VAL 95 CO 0.16 0.12 0.52 0.00 0.00 0.00 0.00 175.10 175.90 2k54 s ALA 96 N 0.26 3.69 -0.38 5.51 0.00 -0.01 -3.33 121.76 127.50 2k54 s ALA 96 Ca -0.03 -2.63 -0.15 0.00 0.00 0.00 0.00 51.96 49.15 2k54 s ALA 96 Cb -0.06 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.79 2k54 s ALA 96 CO -0.00 -2.05 0.35 0.00 0.00 0.00 0.00 175.76 174.06 2k54 s ILE 98 N 1.92 5.14 0.18 0.00 2.07 0.32 -1.36 121.20 129.47 2k54 s ILE 98 Ca 0.09 -0.36 0.01 0.00 -1.41 0.00 0.00 60.65 58.98 2k54 s ILE 98 Cb -0.17 -3.98 -0.04 0.00 0.13 0.00 0.00 42.46 38.40 2k54 s ILE 98 CO 0.12 -0.35 0.34 -0.31 -1.91 0.00 0.00 174.94 172.83 2k54 s TYR 99 N 2.01 3.48 -0.10 3.50 2.02 -0.25 -1.15 117.35 126.87 2k54 s TYR 99 Ca 0.10 0.23 -0.01 0.00 -0.37 0.00 0.00 57.07 57.03 2k54 s TYR 99 Cb -0.17 -1.76 0.03 0.00 -0.40 0.00 0.00 41.96 39.65 2k54 s TYR 99 CO 0.12 0.44 -0.03 -2.00 -1.57 0.00 0.00 175.55 172.52 2k54 s GLU 100 N -3.30 1.00 -0.02 -0.62 2.12 -0.08 -2.57 118.70 115.23 2k54 s GLU 100 Ca 0.37 -0.08 -0.13 0.00 0.36 0.00 0.00 54.97 55.48 2k54 s GLU 100 Cb -0.11 -1.30 -0.05 0.00 0.26 0.00 0.00 34.13 32.93 2k54 s GLU 100 CO 0.29 -0.31 0.36 0.08 -0.54 0.00 0.00 175.26 175.14 2k54 s VAL 101 N 1.85 5.12 -0.04 3.70 1.01 -1.04 -1.82 120.40 129.18 2k54 s VAL 101 Ca 0.05 0.72 -0.01 0.00 0.00 0.00 0.00 61.98 62.73 2k54 s VAL 101 Cb -0.13 -3.65 0.03 0.00 0.00 0.00 0.00 36.38 32.63 2k54 s VAL 101 CO -0.07 0.59 0.04 -0.70 0.00 0.00 0.00 175.10 174.96 2k54 s GLU 102 N -1.08 0.09 -1.50 2.72 2.12 -0.01 -4.82 118.70 116.22 2k54 s GLU 102 Ca 0.22 0.26 -0.01 0.00 0.36 0.00 0.00 54.97 55.81 2k54 s GLU 102 Cb -0.16 -0.54 0.00 0.00 0.26 0.00 0.00 34.13 33.70 2k54 s GLU 102 CO 0.12 -0.27 0.11 0.09 -0.54 0.00 0.00 175.26 174.77 2k54 n ASN 103 N 4.93 -5.32 0.00 -1.70 3.02 -1.26 -1.87 115.26 113.06 2k54 n ASN 103 Ca -0.11 -0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.37 2k54 n ASN 103 Cb 0.50 -4.34 0.00 0.00 -0.61 0.00 0.00 39.78 35.33 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 1.52 3.14 7.41 0.00 -1.26 -5.03 105.19 109.86 2k54 n GLY 104 Ca -0.19 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.32 1.91 -0.44 1.61 1.81 -0.78 -4.69 118.95 118.04 2k54 s ARG 105 Ca 0.00 -0.63 -0.27 0.00 -1.72 0.00 0.00 55.73 53.11 2k54 s ARG 105 Cb 0.00 -1.63 -0.05 0.00 -0.45 0.00 0.00 34.95 32.83 2k54 s ARG 105 CO 0.00 0.23 2.15 0.42 -0.68 0.00 0.00 175.30 177.42 2k54 s ILE 106 N 0.09 3.16 -0.17 1.52 1.01 -0.89 -0.83 121.20 125.09 2k54 s ILE 106 Ca -0.05 0.13 0.16 0.00 0.00 0.00 0.00 60.65 60.88 2k54 s ILE 106 Cb -0.12 -3.33 0.05 0.00 0.01 0.00 0.00 42.46 39.07 2k54 s ILE 106 CO 0.03 -0.28 1.38 0.00 0.00 0.00 0.00 174.94 176.06 2k54 h ALA 107 N 16.55 0.68 -2.93 9.38 0.00 -1.63 -0.99 119.26 140.32 2k54 h ALA 107 Ca -0.29 -0.47 -0.14 0.00 0.00 0.00 0.00 54.91 54.00 2k54 h ALA 107 Cb 1.22 -0.04 -0.25 0.00 0.00 0.00 0.00 17.79 18.73 2k54 h ALA 107 CO 1.11 0.63 -0.33 0.15 0.00 0.00 0.00 179.25 180.81 2k54 s LYS 108 N -2.97 0.39 -0.02 0.00 1.02 -1.13 -1.64 119.74 115.40 2k54 s LYS 108 Ca 0.03 0.47 -0.01 0.00 0.02 0.00 0.00 55.97 56.48 2k54 s LYS 108 Cb 0.08 0.18 0.01 0.00 -0.52 0.00 0.00 37.83 37.58 2k54 s LYS 108 CO 0.75 -0.05 0.04 0.00 -0.92 0.00 0.00 175.35 175.17 2k54 s ALA 109 N 0.20 -0.07 0.01 5.17 0.00 -0.03 -0.91 121.76 126.13 2k54 s ALA 109 Ca -0.00 0.14 0.01 0.00 0.00 0.00 0.00 51.96 52.12 2k54 s ALA 109 Cb -0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 23.12 22.99 2k54 s ALA 109 CO 0.00 -0.03 -0.05 -1.58 0.00 0.00 0.00 175.76 174.10 2k54 s TRP 110 N 0.21 0.43 -0.00 0.00 0.51 -0.30 -0.99 118.94 118.79 2k54 s TRP 110 Ca -0.02 -0.19 -0.04 0.00 -2.12 0.00 0.00 56.10 53.73 2k54 s TRP 110 Cb -0.02 -0.27 -0.00 0.00 -0.81 0.00 0.00 33.47 32.36 2k54 s TRP 110 CO -0.01 -0.03 0.07 -0.59 -0.51 0.00 0.00 176.95 175.88 2k54 s PHE 111 N -0.46 0.07 -0.05 -1.98 -0.71 -1.03 -0.52 117.98 113.30 2k54 s PHE 111 Ca -0.02 -0.15 0.02 0.00 -1.04 0.00 0.00 56.93 55.74 2k54 s PHE 111 Cb -0.04 -0.07 0.02 0.00 -1.21 0.00 0.00 43.02 41.72 2k54 s PHE 111 CO -0.00 -0.19 -0.08 0.21 -1.34 0.00 0.00 175.22 173.82 2k54 s LYS 112 N -1.00 1.20 -0.13 1.99 2.20 -0.82 -0.92 119.74 122.26 2k54 s LYS 112 Ca -0.11 -0.25 -0.22 0.00 -0.36 0.00 0.00 55.97 55.03 2k54 s LYS 112 Cb -0.06 -1.07 -0.03 0.00 -1.51 0.00 0.00 37.83 35.16 2k54 s LYS 112 CO 0.00 -0.02 0.66 0.42 -0.36 0.00 0.00 175.35 176.06 2k54 s ILE 113 N 0.74 5.04 0.00 5.43 1.01 -1.26 -0.83 121.20 131.33 2k54 s ILE 113 Ca -0.12 1.32 0.00 0.00 0.00 0.00 0.00 60.65 61.84 2k54 s ILE 113 Cb -0.15 -3.99 0.00 0.00 0.01 0.00 0.00 42.46 38.33 2k54 s ILE 113 CO 0.02 0.19 0.42 0.61 0.00 0.00 0.00 174.94 176.18 2k54 n GLY 114 N 3.39 -2.27 3.55 6.18 0.00 0.54 -4.95 105.19 111.63 2k54 n GLY 114 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.84 1.42 0.24 1.61 -1.05 -1.25 -5.01 118.70 113.83 2k54 s GLU 115 Ca 0.00 -0.71 -0.27 0.00 -0.15 0.00 0.00 54.97 53.84 2k54 s GLU 115 Cb 0.00 0.57 -0.09 0.00 -0.44 0.00 0.00 34.13 34.17 2k54 s GLU 115 CO 0.00 -0.62 0.89 -1.25 0.95 0.00 0.00 175.26 175.22 2k54 s PRO 116 N -3.83 4.68 0.12 -4.83 0.04 -1.26 -2.68 135.00 127.24 2k54 s PRO 116 Ca 0.06 1.33 0.04 0.00 0.04 0.00 0.00 61.00 62.46 2k54 s PRO 116 Cb -0.02 -3.12 -0.04 0.00 0.04 0.00 0.00 34.50 31.36 2k54 s PRO 116 CO -0.05 0.46 -0.10 1.03 0.04 0.00 0.00 177.00 178.38 2k54 s ARG 117 N -1.47 0.93 0.02 4.56 1.81 -0.21 -4.98 118.95 119.62 2k54 s ARG 117 Ca 0.42 -1.29 0.03 0.00 -1.72 0.00 0.00 55.73 53.17 2k54 s ARG 117 Cb -0.23 -0.54 -0.02 0.00 -0.45 0.00 0.00 34.95 33.72 2k54 s ARG 117 CO 0.28 0.07 -0.10 0.42 -0.68 0.00 0.00 175.30 175.29 2k54 s ILE 118 N -2.91 0.74 0.15 1.52 -1.09 -1.26 -1.43 121.20 116.92 2k54 s ILE 118 Ca 0.11 -0.73 -0.13 0.00 -2.23 0.00 0.00 60.65 57.66 2k54 s ILE 118 Cb 0.00 -0.68 0.02 0.00 -1.58 0.00 0.00 42.46 40.22 2k54 s ILE 118 CO -0.00 -0.03 1.64 0.58 -1.23 0.00 0.00 174.94 175.89 2k54 h VAL 119 N 4.69 1.24 -0.01 2.92 2.07 -1.96 -2.71 116.25 122.49 2k54 h VAL 119 Ca -0.34 -0.89 -0.04 0.00 0.82 0.00 0.00 66.70 66.25 2k54 h VAL 119 Cb 1.19 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 2k54 h VAL 119 CO 0.46 0.32 -0.20 -1.28 0.02 0.00 0.00 177.57 176.88 2k54 h SER 120 N 0.67 0.02 -0.60 0.57 0.87 -1.97 -3.37 113.55 109.74 2k54 h SER 120 Ca 0.15 -0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.34 2k54 h SER 120 Cb 0.37 -0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.28 2k54 h SER 120 CO 0.01 0.22 1.10 -1.58 -0.53 0.00 0.00 176.83 176.05 2k54 s GLN 121 N -4.59 2.69 -0.28 2.24 0.74 -1.02 -4.81 119.66 114.62 2k54 s GLN 121 Ca -0.04 -1.01 -0.25 0.00 0.05 0.00 0.00 55.36 54.12 2k54 s GLN 121 Cb 0.16 -5.23 0.12 0.00 1.10 0.00 0.00 33.01 29.15 2k54 s GLN 121 CO 0.70 -3.59 0.99 0.21 -0.55 0.00 0.00 175.29 173.05 2k54 s LYS 122 N 6.35 0.55 0.00 1.67 2.47 -1.26 -4.73 119.74 124.78 2k54 s LYS 122 Ca 0.67 0.66 0.00 0.00 -1.56 0.00 0.00 55.97 55.74 2k54 s LYS 122 Cb -0.02 0.26 0.00 0.00 -1.46 0.00 0.00 37.83 36.61 2k54 s LYS 122 CO 0.08 -0.07 0.00 0.43 0.16 0.00 0.00 175.35 175.95