#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k49 s PHE 12 N 0.00 3.44 0.42 3.10 0.40 -1.26 -4.99 117.98 119.09 1k49 s PHE 12 Ca 0.00 1.00 -0.18 0.00 -0.60 0.00 0.00 56.93 57.15 1k49 s PHE 12 Cb 0.00 -2.38 -0.09 0.00 0.51 0.00 0.00 43.02 41.05 1k49 s PHE 12 CO 0.00 0.05 0.90 -0.51 0.70 0.00 0.00 175.22 176.36 1k49 s ASP 13 N -2.79 6.80 0.34 1.36 1.01 0.41 -5.01 116.67 118.79 1k49 s ASP 13 Ca 0.50 1.53 -0.27 0.00 0.71 0.00 0.00 52.55 55.02 1k49 s ASP 13 Cb -0.10 -2.48 -0.09 0.00 1.01 0.00 0.00 42.92 41.26 1k49 s ASP 13 CO 0.26 -0.38 1.10 0.00 0.21 0.00 0.00 175.17 176.35 1k49 s ALA 14 N -2.26 3.25 0.29 5.23 0.00 -1.26 -4.70 121.76 122.31 1k49 s ALA 14 Ca 0.59 0.85 0.02 0.00 0.00 0.00 0.00 51.96 53.42 1k49 s ALA 14 Cb -0.10 -3.32 0.71 0.00 0.00 0.00 0.00 23.12 20.41 1k49 s ALA 14 CO 0.20 -0.25 1.66 0.82 0.00 0.00 0.00 175.76 178.19 1k49 h ILE 15 N 2.65 0.37 -0.88 0.00 1.08 -1.95 0.33 117.51 119.11 1k49 h ILE 15 Ca -0.48 -0.09 0.06 0.00 -0.39 0.00 0.00 64.86 63.97 1k49 h ILE 15 Cb 1.22 0.08 -0.06 0.00 -3.07 0.00 0.00 36.82 34.99 1k49 h ILE 15 CO 0.64 0.05 0.57 -0.65 -0.69 0.00 0.00 178.15 178.07 1k49 h PRO 16 N 0.27 0.96 -0.17 2.37 0.11 -1.99 0.24 132.00 133.79 1k49 h PRO 16 Ca 0.55 -0.06 -0.15 0.00 0.11 0.00 0.00 66.00 66.45 1k49 h PRO 16 Cb 1.09 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.97 1k49 h PRO 16 CO -0.61 0.63 -0.53 -0.44 -0.21 0.00 0.00 178.00 176.84 1k49 h ASP 17 N 0.98 0.53 -0.45 -2.05 3.32 -1.33 -1.53 116.42 115.89 1k49 h ASP 17 Ca 0.38 -0.28 -0.07 0.00 0.02 0.00 0.00 57.03 57.08 1k49 h ASP 17 Cb 0.21 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 1k49 h ASP 17 CO -0.14 0.97 0.03 0.58 -1.72 0.00 0.00 179.24 178.96 1k49 h VAL 18 N 0.37 1.26 -0.45 -1.35 2.07 -0.53 -2.21 116.25 115.41 1k49 h VAL 18 Ca 0.01 -0.99 0.01 0.00 0.82 0.00 0.00 66.70 66.55 1k49 h VAL 18 Cb 1.06 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 1k49 h VAL 18 CO 0.10 0.34 0.29 0.40 0.02 0.00 0.00 177.57 178.72 1k49 h ILE 19 N 0.64 1.10 -0.58 4.57 2.04 -0.41 -0.83 117.51 124.04 1k49 h ILE 19 Ca 0.13 -0.20 0.06 0.00 1.00 0.00 0.00 64.86 65.85 1k49 h ILE 19 Cb 0.45 0.45 -0.05 0.00 -0.74 0.00 0.00 36.82 36.93 1k49 h ILE 19 CO 0.02 0.11 0.29 -0.61 0.00 0.00 0.00 178.15 177.96 1k49 h GLN 20 N 0.60 0.53 -0.54 2.37 5.75 -1.17 0.27 115.11 122.92 1k49 h GLN 20 Ca 0.17 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.63 1k49 h GLN 20 Cb -0.05 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 28.35 1k49 h GLN 20 CO -0.05 0.35 0.31 0.00 -2.65 0.00 0.00 178.83 176.80 1k49 h ALA 21 N 1.33 0.68 -0.84 3.38 0.00 -1.02 -1.22 119.26 121.56 1k49 h ALA 21 Ca 0.26 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1k49 h ALA 21 Cb 0.20 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1k49 h ALA 21 CO -0.19 0.18 0.42 0.35 0.00 0.00 0.00 179.25 180.00 1k49 h PHE 22 N 0.72 1.20 -0.20 0.00 3.04 -0.68 -0.47 116.94 120.55 1k49 h PHE 22 Ca 0.19 -0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.09 1k49 h PHE 22 Cb 0.01 -0.37 -0.01 0.00 2.56 0.00 0.00 35.95 38.14 1k49 h PHE 22 CO -0.02 0.86 0.13 -0.22 -2.02 0.00 0.00 178.31 177.04 1k49 h LYS 23 N 1.19 0.26 0.00 1.11 1.63 0.10 -0.37 116.57 120.48 1k49 h LYS 23 Ca 0.29 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.07 1k49 h LYS 23 Cb 0.10 -0.06 0.00 0.00 -0.60 0.00 0.00 32.23 31.67 1k49 h LYS 23 CO -0.04 0.18 0.00 0.09 -3.45 0.00 0.00 179.45 176.23 1k49 n ASN 24 N -4.51 0.00 -0.26 4.20 3.02 -0.25 -4.88 115.26 112.58 1k49 n ASN 24 Ca -0.00 -1.41 -0.03 0.00 -0.03 0.00 0.00 54.58 53.11 1k49 n ASN 24 Cb 0.08 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.24 1k49 n ASN 24 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1k49 n GLY 25 N 0.72 0.56 3.94 7.41 0.00 -0.15 -5.04 105.19 112.64 1k49 n GLY 25 Ca 0.13 -0.90 -0.24 0.00 0.00 0.00 0.00 46.02 45.00 1k49 n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k49 s GLU 26 N -2.57 3.44 0.51 1.61 2.02 -0.81 -4.86 118.70 118.05 1k49 s GLU 26 Ca 0.00 -0.31 -0.17 0.00 0.02 0.00 0.00 54.97 54.51 1k49 s GLU 26 Cb 0.00 -2.63 -0.08 0.00 0.10 0.00 0.00 34.13 31.52 1k49 s GLU 26 CO 0.00 0.08 0.99 -0.06 0.02 0.00 0.00 175.26 176.28 1k49 s PHE 27 N -2.38 3.40 0.07 1.61 0.40 -1.26 -4.47 117.98 115.35 1k49 s PHE 27 Ca 0.41 1.49 0.05 0.00 -0.60 0.00 0.00 56.93 58.28 1k49 s PHE 27 Cb -0.10 -2.82 -0.03 0.00 0.51 0.00 0.00 43.02 40.59 1k49 s PHE 27 CO 0.37 -0.40 -0.13 0.14 0.70 0.00 0.00 175.22 175.89 1k49 s VAL 28 N -2.56 1.05 -0.26 -0.44 -7.23 -0.02 -4.35 120.40 106.59 1k49 s VAL 28 Ca 0.60 -1.29 -0.10 0.00 -1.81 0.00 0.00 61.98 59.38 1k49 s VAL 28 Cb -0.10 -1.03 -0.05 0.00 0.56 0.00 0.00 36.38 35.76 1k49 s VAL 28 CO 0.30 -0.25 0.16 -0.69 -0.31 0.00 0.00 175.10 174.31 1k49 s VAL 29 N -1.30 5.17 -0.15 1.32 1.01 -0.16 -1.09 120.40 125.20 1k49 s VAL 29 Ca -0.03 0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.09 1k49 s VAL 29 Cb -0.10 -3.44 0.01 0.00 0.00 0.00 0.00 36.38 32.85 1k49 s VAL 29 CO 0.02 0.29 -0.21 -0.69 0.00 0.00 0.00 175.10 174.51 1k49 s VAL 30 N 1.51 2.04 -0.16 2.92 1.01 0.16 -1.46 120.40 126.42 1k49 s VAL 30 Ca 0.07 -0.95 -0.14 0.00 0.00 0.00 0.00 61.98 60.96 1k49 s VAL 30 Cb -0.15 -1.82 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 1k49 s VAL 30 CO 0.08 0.54 0.29 -0.76 0.00 0.00 0.00 175.10 175.25 1k49 s LEU 31 N 0.98 4.25 0.00 3.92 1.02 0.29 -1.58 118.68 127.56 1k49 s LEU 31 Ca -0.03 0.51 0.00 0.00 0.02 0.00 0.00 54.13 54.63 1k49 s LEU 31 Cb -0.15 -2.36 0.00 0.00 0.02 0.00 0.00 46.19 43.70 1k49 s LEU 31 CO -0.06 0.11 0.00 -0.90 0.02 0.00 0.00 176.35 175.53 1k49 n ASP 32 N 3.50 0.00 -4.76 2.29 5.75 -0.94 -0.48 116.55 121.90 1k49 n ASP 32 Ca -0.12 -0.92 -0.39 0.00 -0.01 0.00 0.00 54.79 53.34 1k49 n ASP 32 Cb 0.52 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.55 1k49 n ASP 32 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1k49 s ASP 33 N -1.00 7.56 0.53 -1.12 2.15 -1.26 -4.56 116.67 118.97 1k49 s ASP 33 Ca 0.00 1.89 0.21 0.00 0.43 0.00 0.00 52.55 55.08 1k49 s ASP 33 Cb 0.00 -2.59 1.38 0.00 -0.30 0.00 0.00 42.92 41.41 1k49 s ASP 33 CO 0.00 0.12 2.10 -0.65 -0.17 0.00 0.00 175.17 176.57 1k49 h PRO 34 N 3.98 0.00 0.00 4.34 0.11 -1.92 1.46 132.00 139.97 1k49 h PRO 34 Ca -0.46 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.64 1k49 h PRO 34 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1k49 h PRO 34 CO 0.67 0.00 -0.07 0.66 -0.21 0.00 0.00 178.00 179.05 1k49 h SER 35 N 0.00 0.00 0.00 -2.05 4.64 -2.00 -3.37 113.55 110.77 1k49 h SER 35 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1k49 h SER 35 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 1k49 h SER 35 CO -0.00 0.07 0.00 -1.14 -0.87 0.00 0.00 176.83 174.89 1k49 n ARG 36 N -3.20 2.36 0.26 4.77 0.63 0.49 -4.93 116.66 117.04 1k49 n ARG 36 Ca 0.00 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 57.04 1k49 n ARG 36 Cb 0.35 0.00 0.70 0.00 0.45 0.00 0.00 32.46 33.95 1k49 n ARG 36 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1k49 h GLU 37 N 0.00 0.00 -3.31 -0.14 5.08 -1.79 -3.46 114.58 110.95 1k49 h GLU 37 Ca 0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.98 1k49 h GLU 37 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1k49 h GLU 37 CO 0.00 0.10 -0.52 -1.71 -1.00 0.00 0.00 179.01 175.88 1k49 n ASN 38 N -3.95 -5.64 -4.51 1.42 4.05 -0.44 -4.94 115.26 101.26 1k49 n ASN 38 Ca -0.02 -0.12 -0.25 0.00 0.45 0.00 0.00 54.58 54.63 1k49 n ASN 38 Cb 0.19 -4.59 -0.10 0.00 1.23 0.00 0.00 39.78 36.52 1k49 n ASN 38 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1k49 s GLU 39 N -5.23 1.82 -0.07 1.20 2.02 -1.26 -4.65 118.70 112.54 1k49 s GLU 39 Ca 0.12 -1.52 0.01 0.00 0.02 0.00 0.00 54.97 53.60 1k49 s GLU 39 Cb -0.05 -1.95 -0.03 0.00 0.10 0.00 0.00 34.13 32.20 1k49 s GLU 39 CO 0.14 0.38 -0.09 0.00 0.02 0.00 0.00 175.26 175.72 1k49 s ALA 40 N -2.03 2.90 0.18 5.21 0.00 -1.26 -2.22 121.76 124.55 1k49 s ALA 40 Ca 0.26 -0.91 0.11 0.00 0.00 0.00 0.00 51.96 51.42 1k49 s ALA 40 Cb -0.07 -1.17 -0.04 0.00 0.00 0.00 0.00 23.12 21.84 1k49 s ALA 40 CO 0.14 0.56 -0.21 -0.51 0.00 0.00 0.00 175.76 175.75 1k49 s ASP 41 N -0.76 3.64 -0.01 0.00 -0.00 -0.62 -0.55 116.67 118.38 1k49 s ASP 41 Ca 0.12 -0.77 -0.23 0.00 -0.00 0.00 0.00 52.55 51.67 1k49 s ASP 41 Cb -0.11 -0.38 -0.05 0.00 -0.00 0.00 0.00 42.92 42.39 1k49 s ASP 41 CO 0.01 0.13 0.70 -0.76 -0.00 0.00 0.00 175.17 175.25 1k49 s LEU 42 N -2.61 4.39 -0.06 1.23 1.43 -0.46 -0.66 118.68 121.94 1k49 s LEU 42 Ca 0.21 1.28 0.01 0.00 -1.03 0.00 0.00 54.13 54.60 1k49 s LEU 42 Cb -0.08 -3.10 0.02 0.00 0.03 0.00 0.00 46.19 43.05 1k49 s LEU 42 CO 0.11 -0.02 -0.08 -0.63 0.23 0.00 0.00 176.35 175.96 1k49 s ILE 43 N 0.24 0.80 0.05 -0.59 1.01 -0.25 -2.37 121.20 120.08 1k49 s ILE 43 Ca 0.36 -0.27 -0.04 0.00 0.00 0.00 0.00 60.65 60.71 1k49 s ILE 43 Cb -0.19 -0.77 -0.02 0.00 0.01 0.00 0.00 42.46 41.49 1k49 s ILE 43 CO 0.20 0.28 0.05 -0.51 0.00 0.00 0.00 174.94 174.96 1k49 s ILE 44 N 0.84 0.17 0.25 2.92 2.07 -0.70 -0.84 121.20 125.92 1k49 s ILE 44 Ca -0.12 -1.42 -0.30 0.00 -1.41 0.00 0.00 60.65 57.40 1k49 s ILE 44 Cb -0.15 -1.21 -0.09 0.00 0.13 0.00 0.00 42.46 41.14 1k49 s ILE 44 CO 0.01 -0.78 1.17 0.00 -1.91 0.00 0.00 174.94 173.43 1k49 s ALA 45 N -3.35 3.43 0.12 1.50 0.00 -1.26 -0.44 121.76 121.76 1k49 s ALA 45 Ca 0.02 0.98 0.11 0.00 0.00 0.00 0.00 51.96 53.06 1k49 s ALA 45 Cb 0.03 -3.38 0.12 0.00 0.00 0.00 0.00 23.12 19.89 1k49 s ALA 45 CO -0.08 -0.32 1.46 0.00 0.00 0.00 0.00 175.76 176.83 1k49 h ALA 46 N 4.31 0.67 -0.97 0.00 0.00 -1.61 -3.33 119.26 118.32 1k49 h ALA 46 Ca -0.46 -0.66 0.23 0.00 0.00 0.00 0.00 54.91 54.02 1k49 h ALA 46 Cb 1.21 -0.12 -0.08 0.00 0.00 0.00 0.00 17.79 18.81 1k49 h ALA 46 CO 0.70 0.91 0.63 1.05 0.00 0.00 0.00 179.25 182.54 1k49 h GLU 47 N 0.00 0.40 0.00 0.00 4.11 -1.81 -2.88 114.58 114.41 1k49 h GLU 47 Ca -0.01 -0.02 -0.05 0.00 0.07 0.00 0.00 59.36 59.34 1k49 h GLU 47 Cb 1.40 -0.09 -0.12 0.00 0.50 0.00 0.00 28.75 30.44 1k49 h GLU 47 CO 0.09 0.27 -0.57 0.45 0.07 0.00 0.00 179.01 179.33 1k49 n SER 48 N -4.56 1.29 -4.70 3.06 2.88 -1.26 -4.73 113.62 105.60 1k49 n SER 48 Ca 0.22 -2.80 -0.43 0.00 -1.33 0.00 0.00 58.87 54.53 1k49 n SER 48 Cb 0.77 -0.38 -0.03 0.00 -0.75 0.00 0.00 64.21 63.82 1k49 n SER 48 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1k49 n VAL 49 N -0.47 0.11 -2.77 2.46 3.14 -1.09 -4.95 118.33 114.75 1k49 n VAL 49 Ca 0.11 -0.02 -0.23 0.00 -2.96 0.00 0.00 64.34 61.24 1k49 n VAL 49 Cb 0.82 -1.94 0.02 0.00 -1.06 0.00 0.00 33.84 31.68 1k49 n VAL 49 CO 0.00 0.00 0.00 0.42 -6.46 0.00 0.00 176.83 170.79 1k49 s THR 50 N 1.60 3.47 0.14 1.55 -4.23 -1.26 -4.79 115.64 112.12 1k49 s THR 50 Ca 0.78 -0.48 -0.18 0.00 -1.18 0.00 0.00 61.69 60.63 1k49 s THR 50 Cb -0.53 -3.31 -0.01 0.00 1.34 0.00 0.00 72.50 69.99 1k49 s THR 50 CO 0.35 -0.23 1.75 0.74 -0.54 0.00 0.00 174.62 176.69 1k49 h THR 51 N 0.19 0.92 -0.51 3.99 2.02 -1.91 0.12 112.91 117.72 1k49 h THR 51 Ca -0.45 -0.07 -0.07 0.00 0.77 0.00 0.00 66.41 66.59 1k49 h THR 51 Cb 1.27 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 68.34 1k49 h THR 51 CO 0.56 0.04 0.03 -0.33 0.37 0.00 0.00 175.52 176.19 1k49 h GLU 52 N 0.22 0.83 -0.42 6.66 3.07 -1.94 -1.06 114.58 121.94 1k49 h GLU 52 Ca 0.13 -0.21 -0.15 0.00 -0.50 0.00 0.00 59.36 58.63 1k49 h GLU 52 Cb 0.10 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 1k49 h GLU 52 CO -0.13 0.81 -0.31 1.96 -1.40 0.00 0.00 179.01 179.94 1k49 h GLN 53 N 0.78 0.94 -0.55 2.33 4.20 -1.83 -2.28 115.11 118.69 1k49 h GLN 53 Ca 0.16 -0.45 0.02 0.00 0.06 0.00 0.00 58.65 58.43 1k49 h GLN 53 Cb 0.42 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 1k49 h GLN 53 CO 0.02 1.11 0.35 1.98 -0.67 0.00 0.00 178.83 181.61 1k49 h MET 54 N 0.79 0.68 -0.76 1.46 4.05 -0.41 0.56 114.93 121.29 1k49 h MET 54 Ca 0.08 -0.04 0.07 0.00 -0.28 0.00 0.00 59.70 59.53 1k49 h MET 54 Cb 0.89 -0.15 -0.06 0.00 -0.80 0.00 0.00 31.60 31.48 1k49 h MET 54 CO 0.08 0.45 0.44 0.00 0.23 0.00 0.00 176.91 178.12 1k49 h ALA 55 N 1.22 1.04 -0.61 0.39 0.00 -1.12 0.27 119.26 120.45 1k49 h ALA 55 Ca 0.21 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1k49 h ALA 55 Cb -0.03 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 1k49 h ALA 55 CO -0.07 0.14 0.31 0.35 0.00 0.00 0.00 179.25 179.97 1k49 h PHE 56 N 0.80 0.86 -0.60 0.00 3.57 -0.73 0.66 116.94 121.51 1k49 h PHE 56 Ca 0.34 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.79 1k49 h PHE 56 Cb 0.21 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 38.65 1k49 h PHE 56 CO -0.06 0.64 0.30 1.98 -2.23 0.00 0.00 178.31 178.95 1k49 h MET 57 N 0.83 0.86 -0.16 1.11 4.05 0.57 -0.73 114.93 121.47 1k49 h MET 57 Ca 0.21 -0.12 -0.01 0.00 -0.28 0.00 0.00 59.70 59.50 1k49 h MET 57 Cb 0.09 -0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 30.72 1k49 h MET 57 CO -0.03 0.68 0.06 0.28 0.23 0.00 0.00 176.91 178.13 1k49 h VAL 58 N 0.82 1.17 -0.58 -5.77 2.07 -0.34 -2.04 116.25 111.58 1k49 h VAL 58 Ca 0.21 -0.53 0.01 0.00 0.82 0.00 0.00 66.70 67.21 1k49 h VAL 58 Cb 0.09 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 1k49 h VAL 58 CO -0.03 0.16 0.39 -0.09 0.02 0.00 0.00 177.57 178.02 1k49 h ARG 59 N 0.09 0.76 -0.50 1.57 9.65 -0.52 -2.96 114.38 122.46 1k49 h ARG 59 Ca 0.05 -0.05 -0.08 0.00 -1.10 0.00 0.00 59.98 58.80 1k49 h ARG 59 Cb 0.20 -0.17 -0.05 0.00 -1.39 0.00 0.00 29.97 28.56 1k49 h ARG 59 CO -0.00 0.50 0.08 0.72 2.80 0.00 0.00 179.97 184.07 1k49 n HIS 60 N -4.45 1.75 -3.85 2.20 8.25 -0.31 -5.01 115.22 113.80 1k49 n HIS 60 Ca 0.06 -1.00 -0.05 0.00 -0.26 0.00 0.00 57.72 56.47 1k49 n HIS 60 Cb 0.06 -0.50 -0.01 0.00 1.12 0.00 0.00 29.99 30.65 1k49 n HIS 60 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1k49 n SER 61 N -0.14 -0.31 0.29 0.41 3.41 -0.78 -4.32 113.62 112.18 1k49 n SER 61 Ca 0.30 -1.56 0.20 0.00 -0.26 0.00 0.00 58.87 57.55 1k49 n SER 61 Cb 1.15 0.61 1.04 0.00 -0.26 0.00 0.00 64.21 66.75 1k49 n SER 61 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1k49 h SER 62 N 0.56 0.00 0.00 4.04 4.64 -1.14 -3.43 113.55 118.22 1k49 h SER 62 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 1k49 h SER 62 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1k49 h SER 62 CO 0.10 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.67 1k49 n GLY 63 N -1.01 2.08 3.47 -0.77 0.00 -1.26 -4.96 105.19 102.73 1k49 n GLY 63 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1k49 n GLY 63 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1k49 s LEU 64 N 0.00 4.65 -0.36 0.99 2.96 -1.26 -4.97 118.68 120.69 1k49 s LEU 64 Ca 0.00 -1.70 -0.25 0.00 -0.22 0.00 0.00 54.13 51.96 1k49 s LEU 64 Cb 0.00 -2.43 0.01 0.00 0.50 0.00 0.00 46.19 44.27 1k49 s LEU 64 CO 0.00 -1.22 0.86 -0.63 -1.32 0.00 0.00 176.35 174.04 1k49 s ILE 65 N 3.37 4.66 0.31 6.68 -1.09 -1.26 -4.60 121.20 129.28 1k49 s ILE 65 Ca 0.32 1.11 0.08 0.00 -2.23 0.00 0.00 60.65 59.94 1k49 s ILE 65 Cb -0.07 -4.27 -0.04 0.00 -1.58 0.00 0.00 42.46 36.50 1k49 s ILE 65 CO -0.05 -0.46 0.12 0.00 -1.23 0.00 0.00 174.94 173.32 1k49 s ALA 67 N -2.37 1.44 0.27 0.00 0.00 0.18 -0.19 121.76 121.08 1k49 s ALA 67 Ca 0.36 -2.14 -0.31 0.00 0.00 0.00 0.00 51.96 49.87 1k49 s ALA 67 Cb -0.04 -1.72 -0.12 0.00 0.00 0.00 0.00 23.12 21.25 1k49 s ALA 67 CO 0.22 -2.07 1.64 -2.30 0.00 0.00 0.00 175.76 173.25 1k49 n PRO 68 N 3.89 2.75 -3.86 0.00 -0.02 -1.16 -1.18 135.00 135.42 1k49 n PRO 68 Ca 0.10 0.98 -0.09 0.00 -2.02 0.00 0.00 63.50 62.46 1k49 n PRO 68 Cb 0.36 -2.79 -0.05 0.00 -0.02 0.00 0.00 33.50 31.00 1k49 n PRO 68 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1k49 s LEU 69 N -0.01 0.50 0.66 2.45 2.34 0.54 -0.83 118.68 124.33 1k49 s LEU 69 Ca 0.67 -0.69 -0.09 0.00 0.06 0.00 0.00 54.13 54.08 1k49 s LEU 69 Cb -0.49 1.68 0.02 0.00 -0.56 0.00 0.00 46.19 46.84 1k49 s LEU 69 CO 0.44 -0.99 1.02 0.42 -1.06 0.00 0.00 176.35 176.18 1k49 s THR 70 N -3.92 3.46 0.36 5.48 -4.23 -1.22 -0.47 115.64 115.08 1k49 s THR 70 Ca 0.14 0.24 0.04 0.00 -1.18 0.00 0.00 61.69 60.92 1k49 s THR 70 Cb 0.01 -3.43 0.28 0.00 1.34 0.00 0.00 72.50 70.69 1k49 s THR 70 CO -0.01 -0.52 1.99 -0.65 -0.54 0.00 0.00 174.62 174.90 1k49 h PRO 71 N -0.47 0.79 -0.87 3.99 0.11 -1.94 -0.40 132.00 133.21 1k49 h PRO 71 Ca -0.45 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 1k49 h PRO 71 Cb 1.26 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 1k49 h PRO 71 CO 0.62 0.53 0.43 1.49 -0.21 0.00 0.00 178.00 180.86 1k49 h GLU 72 N 0.82 1.24 -0.31 1.05 4.22 -1.95 -1.01 114.58 118.63 1k49 h GLU 72 Ca 0.26 -0.18 -0.13 0.00 0.08 0.00 0.00 59.36 59.40 1k49 h GLU 72 Cb 0.04 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1k49 h GLU 72 CO -0.07 0.94 -0.33 0.00 -2.18 0.00 0.00 179.01 177.37 1k49 h ARG 73 N 1.23 0.67 -0.27 1.92 2.47 -1.49 -0.93 114.38 117.97 1k49 h ARG 73 Ca 0.30 -0.31 -0.04 0.00 -1.26 0.00 0.00 59.98 58.67 1k49 h ARG 73 Cb 0.10 -0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.40 1k49 h ARG 73 CO -0.04 0.91 0.01 1.79 0.56 0.00 0.00 179.97 183.20 1k49 h THR 74 N 0.56 1.16 0.00 2.04 1.35 -0.53 -0.09 112.91 117.41 1k49 h THR 74 Ca 0.06 -0.62 -0.05 0.00 -0.55 0.00 0.00 66.41 65.25 1k49 h THR 74 Cb 0.84 0.95 0.00 0.00 -1.73 0.00 0.00 68.15 68.21 1k49 h THR 74 CO 0.07 0.21 -0.20 0.74 -0.25 0.00 0.00 175.52 176.09 1k49 h THR 75 N 0.40 1.57 -1.00 6.82 2.02 -1.01 0.20 112.91 121.90 1k49 h THR 75 Ca 0.09 -1.96 0.11 0.00 0.77 0.00 0.00 66.41 65.43 1k49 h THR 75 Cb 0.25 2.82 -0.08 0.00 -1.74 0.00 0.00 68.15 69.40 1k49 h THR 75 CO 0.01 0.53 0.64 0.00 0.37 0.00 0.00 175.52 177.06 1k49 h ALA 76 N 0.24 1.51 -0.02 6.16 0.00 -0.99 -2.17 119.26 123.99 1k49 h ALA 76 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1k49 h ALA 76 Cb 0.98 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1k49 h ALA 76 CO 0.04 0.26 -0.06 1.28 0.00 0.00 0.00 179.25 180.77 1k49 n LEU 77 N -4.60 1.83 -3.41 0.00 4.77 -0.06 -4.28 117.00 111.26 1k49 n LEU 77 Ca 0.18 -0.60 -0.18 0.00 -0.03 0.00 0.00 56.01 55.38 1k49 n LEU 77 Cb 0.33 -0.02 0.07 0.00 -2.33 0.00 0.00 43.42 41.47 1k49 n LEU 77 CO 0.28 0.31 0.03 -0.67 -1.33 0.00 0.00 177.39 176.01 1k49 n ASP 78 N 0.34 -4.35 -4.05 -1.43 -0.08 -0.62 -4.20 116.55 102.16 1k49 n ASP 78 Ca 0.16 -0.73 -0.34 0.00 -1.51 0.00 0.00 54.79 52.38 1k49 n ASP 78 Cb 0.42 -4.86 -0.08 0.00 2.34 0.00 0.00 41.12 38.94 1k49 n ASP 78 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1k49 s LEU 79 N -5.97 5.33 0.70 -2.67 1.43 -0.04 -5.03 118.68 112.44 1k49 s LEU 79 Ca 0.26 -3.76 -0.12 0.00 -1.03 0.00 0.00 54.13 49.48 1k49 s LEU 79 Cb -0.04 -1.83 0.02 0.00 0.03 0.00 0.00 46.19 44.37 1k49 s LEU 79 CO 0.76 -0.15 1.08 -2.16 0.23 0.00 0.00 176.35 176.11 1k49 s PRO 80 N -1.37 2.69 0.37 1.29 0.04 -1.26 -4.66 135.00 132.09 1k49 s PRO 80 Ca 0.27 1.17 -0.27 0.00 0.04 0.00 0.00 61.00 62.20 1k49 s PRO 80 Cb -0.07 -1.95 -0.11 0.00 0.04 0.00 0.00 34.50 32.41 1k49 s PRO 80 CO -0.14 -1.31 1.30 1.04 0.04 0.00 0.00 177.00 177.94 1k49 n GLN 81 N -2.98 2.11 -0.32 4.56 1.13 -1.26 -0.78 117.38 119.85 1k49 n GLN 81 Ca 0.09 0.74 -0.02 0.00 -1.94 0.00 0.00 57.00 55.87 1k49 n GLN 81 Cb 0.53 -2.37 0.10 0.00 0.11 0.00 0.00 30.24 28.61 1k49 n GLN 81 CO 0.00 0.00 0.00 1.98 -1.44 0.00 0.00 177.06 177.60 1k49 h MET 82 N 2.44 1.07 0.00 -1.09 4.05 -0.97 -3.42 114.93 117.01 1k49 h MET 82 Ca -0.47 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 58.89 1k49 h MET 82 Cb 1.28 -0.24 0.00 0.00 -0.80 0.00 0.00 31.60 31.84 1k49 h MET 82 CO 0.62 0.71 0.00 0.28 0.23 0.00 0.00 176.91 178.75 1k49 n VAL 83 N -4.53 0.00 -0.06 -5.77 0.31 -1.26 -4.97 118.33 102.06 1k49 n VAL 83 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 1k49 n VAL 83 Cb 0.07 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 32.59 1k49 n VAL 83 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1k49 n GLY 91 N 4.11 -2.50 3.68 2.92 0.00 -1.26 -5.08 105.19 107.05 1k49 n GLY 91 Ca 0.00 -1.02 -0.51 0.00 0.00 0.00 0.00 46.02 44.50 1k49 n GLY 91 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1k49 n THR 92 N 0.15 0.39 -1.45 2.61 -1.04 -1.26 -4.85 114.28 108.84 1k49 n THR 92 Ca 0.00 -0.07 -0.37 0.00 -2.04 0.00 0.00 64.05 61.57 1k49 n THR 92 Cb 0.00 -1.59 -0.04 0.00 -1.82 0.00 0.00 70.33 66.88 1k49 n THR 92 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1k49 n ALA 93 N 5.61 7.28 -1.72 2.41 0.00 -1.26 -4.99 120.51 127.84 1k49 n ALA 93 Ca 0.23 -3.52 -0.43 0.00 0.00 0.00 0.00 53.44 49.72 1k49 n ALA 93 Cb 0.24 -3.12 -0.02 0.00 0.00 0.00 0.00 19.45 16.55 1k49 n ALA 93 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1k49 n TYR 94 N 2.98 2.70 -2.68 0.00 4.02 -1.26 -1.54 117.16 121.37 1k49 n TYR 94 Ca 0.71 0.20 -0.14 0.00 -0.01 0.00 0.00 57.90 58.67 1k49 n TYR 94 Cb 0.30 -2.61 0.06 0.00 -0.02 0.00 0.00 39.34 37.07 1k49 n TYR 94 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 1k49 n THR 95 N 2.85 0.00 -1.85 -0.72 -2.24 -0.65 -0.51 114.28 111.16 1k49 n THR 95 Ca 0.12 -1.09 -0.39 0.00 -2.27 0.00 0.00 64.05 60.42 1k49 n THR 95 Cb 0.35 -0.93 0.02 0.00 -2.10 0.00 0.00 70.33 67.68 1k49 n THR 95 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1k49 s VAL 96 N -1.67 2.21 0.74 2.28 0.11 0.04 -4.22 120.40 119.90 1k49 s VAL 96 Ca 0.41 0.17 -0.11 0.00 -2.93 0.00 0.00 61.98 59.52 1k49 s VAL 96 Cb -0.03 -3.09 0.04 0.00 -1.53 0.00 0.00 36.38 31.77 1k49 s VAL 96 CO 0.27 0.01 1.09 -0.94 -3.33 0.00 0.00 175.10 172.20 1k49 s SER 97 N -0.80 5.04 0.16 3.54 1.04 -1.26 -4.55 113.70 116.87 1k49 s SER 97 Ca 0.66 1.24 -0.07 0.00 0.48 0.00 0.00 55.95 58.26 1k49 s SER 97 Cb -0.40 -2.02 -0.02 0.00 0.10 0.00 0.00 66.02 63.68 1k49 s SER 97 CO 0.50 -1.61 0.24 0.68 0.98 0.00 0.00 173.24 174.02 1k49 s VAL 98 N -3.25 0.07 0.16 5.02 -7.23 -0.19 -2.94 120.40 112.03 1k49 s VAL 98 Ca 0.59 -1.51 0.05 0.00 -1.81 0.00 0.00 61.98 59.30 1k49 s VAL 98 Cb -0.13 -1.92 -0.04 0.00 0.56 0.00 0.00 36.38 34.85 1k49 s VAL 98 CO 0.53 -0.31 -0.12 -1.81 -0.31 0.00 0.00 175.10 173.08 1k49 s ASP 99 N -2.99 1.98 0.05 4.85 1.01 -0.59 -1.26 116.67 119.72 1k49 s ASP 99 Ca 0.19 -0.98 -0.30 0.00 0.71 0.00 0.00 52.55 52.17 1k49 s ASP 99 Cb 0.04 -0.04 -0.05 0.00 1.01 0.00 0.00 42.92 43.88 1k49 s ASP 99 CO 0.01 -0.27 1.10 0.00 0.21 0.00 0.00 175.17 176.22 1k49 s ALA 100 N -3.08 3.30 -0.72 5.23 0.00 -1.26 -0.76 121.76 124.47 1k49 s ALA 100 Ca 0.17 0.72 -0.22 0.00 0.00 0.00 0.00 51.96 52.62 1k49 s ALA 100 Cb 0.01 -3.39 0.07 0.00 0.00 0.00 0.00 23.12 19.81 1k49 s ALA 100 CO 0.02 -0.33 1.03 -2.00 0.00 0.00 0.00 175.76 174.49 1k49 s GLU 101 N 0.92 3.20 -0.11 0.00 2.56 0.29 -4.76 118.70 120.79 1k49 s GLU 101 Ca 0.55 -0.92 -0.20 0.00 0.00 0.00 0.00 54.97 54.40 1k49 s GLU 101 Cb -0.26 -4.36 0.05 0.00 2.00 0.00 0.00 34.13 31.55 1k49 s GLU 101 CO 0.29 -1.86 0.50 -1.58 -0.56 0.00 0.00 175.26 172.05 1k49 s HIS 102 N 4.06 -0.48 0.52 5.30 2.46 -1.26 -4.87 115.29 121.02 1k49 s HIS 102 Ca 0.26 1.03 0.32 0.00 0.47 0.00 0.00 55.06 57.13 1k49 s HIS 102 Cb -0.14 0.22 1.79 0.00 -0.13 0.00 0.00 32.58 34.32 1k49 s HIS 102 CO 0.07 -0.38 2.20 -1.35 -2.47 0.00 0.00 174.74 172.81 1k49 h PRO 103 N 4.41 0.00 -0.00 2.88 0.11 -2.03 -1.96 132.00 135.41 1k49 h PRO 103 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1k49 h PRO 103 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1k49 h PRO 103 CO 0.29 0.04 -0.15 -1.13 -0.21 0.00 0.00 178.00 176.84 1k49 n SER 104 N -3.60 0.33 -4.77 -2.05 3.41 -1.26 -4.89 113.62 100.78 1k49 n SER 104 Ca -0.02 -0.21 -0.38 0.00 -0.26 0.00 0.00 58.87 58.00 1k49 n SER 104 Cb 0.14 -0.14 -0.04 0.00 -0.26 0.00 0.00 64.21 63.92 1k49 n SER 104 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1k49 s THR 105 N -2.71 3.67 0.00 6.66 2.01 -0.74 -4.94 115.64 119.59 1k49 s THR 105 Ca 0.22 1.43 0.00 0.00 0.31 0.00 0.00 61.69 63.65 1k49 s THR 105 Cb 0.19 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 68.88 1k49 s THR 105 CO 0.53 0.16 0.00 0.35 -0.69 0.00 0.00 174.62 174.97 1k49 n THR 106 N 0.47 0.00 0.56 -0.82 -2.24 -1.26 -4.90 114.28 106.08 1k49 n THR 106 Ca 0.02 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.92 1k49 n THR 106 Cb 0.48 -0.09 0.19 0.00 -2.10 0.00 0.00 70.33 68.80 1k49 n THR 106 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 1k49 h THR 107 N 0.00 0.00 0.00 4.28 1.35 -2.01 -3.48 112.91 113.06 1k49 h THR 107 Ca 0.00 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1k49 h THR 107 Cb 0.00 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 1k49 h THR 107 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1k49 n GLY 108 N 1.33 0.96 0.06 5.82 0.00 -1.26 -4.92 105.19 107.17 1k49 n GLY 108 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.05 1k49 n GLY 108 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1k49 n ILE 109 N -2.00 0.73 -0.70 -0.61 0.13 -1.26 -4.12 119.36 111.53 1k49 n ILE 109 Ca 0.00 -0.69 -0.32 0.00 -1.10 0.00 0.00 62.75 60.64 1k49 n ILE 109 Cb 0.00 -0.24 0.16 0.00 -0.84 0.00 0.00 39.64 38.71 1k49 n ILE 109 CO 0.00 0.00 0.00 -1.54 2.80 0.00 0.00 176.55 177.81 1k49 n SER 110 N -2.52 -1.29 -0.29 9.51 3.41 -1.26 -4.64 113.62 116.55 1k49 n SER 110 Ca -0.19 0.25 0.04 0.00 -0.26 0.00 0.00 58.87 58.71 1k49 n SER 110 Cb 0.88 -1.27 0.24 0.00 -0.26 0.00 0.00 64.21 63.80 1k49 n SER 110 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1k49 h ALA 111 N -1.86 1.51 0.20 7.33 0.00 -1.93 -0.31 119.26 124.20 1k49 h ALA 111 Ca -0.46 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.43 1k49 h ALA 111 Cb 1.29 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.78 1k49 h ALA 111 CO 0.39 0.36 -0.33 1.25 0.00 0.00 0.00 179.25 180.92 1k49 h HIS 112 N 1.02 -0.91 -0.54 0.00 -0.00 -1.90 -0.07 115.15 112.75 1k49 h HIS 112 Ca 0.38 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.71 1k49 h HIS 112 Cb 0.17 0.37 -0.02 0.00 -0.00 0.00 0.00 27.41 27.93 1k49 h HIS 112 CO -0.00 -0.45 0.12 -0.44 -0.00 0.00 0.00 177.93 177.16 1k49 h ASP 113 N -0.61 0.83 -0.39 3.26 3.32 -1.73 -0.96 116.42 120.14 1k49 h ASP 113 Ca 0.01 -0.24 -0.16 0.00 0.02 0.00 0.00 57.03 56.67 1k49 h ASP 113 Cb 0.60 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1k49 h ASP 113 CO -0.14 0.85 -0.37 0.03 -1.72 0.00 0.00 179.24 177.89 1k49 h ARG 114 N 0.77 0.94 -0.76 3.56 3.08 -1.02 -1.41 114.38 119.55 1k49 h ARG 114 Ca 0.17 -0.49 -0.04 0.00 0.07 0.00 0.00 59.98 59.69 1k49 h ARG 114 Cb 0.35 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.38 1k49 h ARG 114 CO 0.00 1.15 0.33 0.00 -1.07 0.00 0.00 179.97 180.38 1k49 h ALA 115 N 0.78 0.99 -0.31 0.04 0.00 -0.92 -2.17 119.26 117.67 1k49 h ALA 115 Ca 0.07 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.82 1k49 h ALA 115 Cb 0.96 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1k49 h ALA 115 CO 0.09 0.59 0.14 1.25 0.00 0.00 0.00 179.25 181.33 1k49 h LEU 116 N 1.09 0.20 -0.85 0.00 5.85 -0.91 -0.24 115.31 120.46 1k49 h LEU 116 Ca 0.26 0.02 0.07 0.00 0.84 0.00 0.00 57.88 59.07 1k49 h LEU 116 Cb 0.18 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.13 1k49 h LEU 116 CO -0.03 0.16 0.52 0.00 -0.34 0.00 0.00 178.44 178.75 1k49 h ALA 117 N 1.17 1.19 -0.41 1.25 0.00 -1.11 0.11 119.26 121.47 1k49 h ALA 117 Ca 0.13 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1k49 h ALA 117 Cb 0.06 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1k49 h ALA 117 CO -0.10 0.21 0.19 0.00 0.00 0.00 0.00 179.25 179.55 1k49 h ARG 119 N 0.51 0.97 -0.33 0.00 3.08 -0.40 -2.19 114.38 116.02 1k49 h ARG 119 Ca 0.14 -0.18 -0.11 0.00 0.07 0.00 0.00 59.98 59.90 1k49 h ARG 119 Cb 0.14 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1k49 h ARG 119 CO -0.02 0.82 -0.24 0.52 -1.07 0.00 0.00 179.97 179.98 1k49 h MET 120 N 0.91 0.65 -0.25 0.04 2.86 -0.55 -1.87 114.93 116.71 1k49 h MET 120 Ca 0.21 -0.26 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 1k49 h MET 120 Cb 0.22 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 1k49 h MET 120 CO -0.02 0.83 0.07 -0.07 1.06 0.00 0.00 176.91 178.78 1k49 h LEU 121 N 0.57 0.32 0.00 1.22 3.38 -0.65 -2.80 115.31 117.35 1k49 h LEU 121 Ca 0.08 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1k49 h LEU 121 Cb 0.72 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1k49 h LEU 121 CO 0.06 0.33 -0.33 0.00 0.09 0.00 0.00 178.44 178.58 1k49 n ALA 122 N -2.49 2.81 -1.73 1.53 0.00 -0.85 -4.90 120.51 114.88 1k49 n ALA 122 Ca 0.01 -0.19 -0.42 0.00 0.00 0.00 0.00 53.44 52.83 1k49 n ALA 122 Cb 0.15 -1.28 -0.01 0.00 0.00 0.00 0.00 19.45 18.30 1k49 n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k49 n ALA 123 N -1.67 1.97 0.26 0.00 0.00 -0.76 -4.83 120.51 115.48 1k49 n ALA 123 Ca 0.05 0.37 0.09 0.00 0.00 0.00 0.00 53.44 53.95 1k49 n ALA 123 Cb 0.39 -2.37 0.65 0.00 0.00 0.00 0.00 19.45 18.12 1k49 n ALA 123 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1k49 h PRO 124 N 3.78 0.00 -0.60 0.00 0.11 -1.92 -1.19 132.00 132.18 1k49 h PRO 124 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1k49 h PRO 124 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1k49 h PRO 124 CO 0.72 0.07 0.00 -0.40 -0.21 0.00 0.00 178.00 178.17 1k49 n ASP 125 N -4.28 3.32 -4.73 -2.05 5.75 -1.26 -4.97 116.55 108.33 1k49 n ASP 125 Ca -0.03 -2.29 -0.41 0.00 -0.01 0.00 0.00 54.79 52.05 1k49 n ASP 125 Cb 0.15 -0.47 0.00 0.00 -1.03 0.00 0.00 41.12 39.78 1k49 n ASP 125 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1k49 n ALA 126 N 0.69 1.76 -2.36 2.12 0.00 -0.45 -5.02 120.51 117.25 1k49 n ALA 126 Ca 0.17 0.32 -0.11 0.00 0.00 0.00 0.00 53.44 53.83 1k49 n ALA 126 Cb 0.63 -2.33 -0.10 0.00 0.00 0.00 0.00 19.45 17.64 1k49 n ALA 126 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1k49 s GLN 127 N -2.09 0.72 0.38 0.00 -1.52 -1.26 -4.92 119.66 110.97 1k49 s GLN 127 Ca 0.56 -1.16 0.11 0.00 -1.95 0.00 0.00 55.36 52.93 1k49 s GLN 127 Cb -0.51 -0.17 0.90 0.00 -0.22 0.00 0.00 33.01 33.01 1k49 s GLN 127 CO 0.61 -0.01 1.89 -1.35 -0.25 0.00 0.00 175.29 176.18 1k49 h PRO 128 N 3.42 0.57 0.00 2.91 0.11 -1.74 -0.04 132.00 137.22 1k49 h PRO 128 Ca -0.35 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1k49 h PRO 128 Cb 1.17 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1k49 h PRO 128 CO 0.58 0.38 0.00 -1.13 -0.21 0.00 0.00 178.00 177.62 1k49 n SER 129 N -4.53 0.00 0.00 -2.05 3.41 -1.26 -2.18 113.62 107.01 1k49 n SER 129 Ca 0.16 0.43 0.13 0.00 -0.26 0.00 0.00 58.87 59.33 1k49 n SER 129 Cb 0.49 -0.46 0.62 0.00 -0.26 0.00 0.00 64.21 64.59 1k49 n SER 129 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1k49 n HIS 130 N -1.46 0.00 -5.20 7.33 8.25 -0.03 -4.78 115.22 119.33 1k49 n HIS 130 Ca 0.04 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.18 1k49 n HIS 130 Cb 0.16 -0.37 -0.17 0.00 1.12 0.00 0.00 29.99 30.74 1k49 n HIS 130 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1k49 s PHE 131 N -2.74 2.56 0.18 4.41 0.40 -0.93 -0.55 117.98 121.32 1k49 s PHE 131 Ca 0.20 -0.99 -0.25 0.00 -0.60 0.00 0.00 56.93 55.29 1k49 s PHE 131 Cb 0.17 -1.71 -0.08 0.00 0.51 0.00 0.00 43.02 41.92 1k49 s PHE 131 CO 0.43 -0.39 0.77 1.03 0.70 0.00 0.00 175.22 177.76 1k49 s ARG 132 N 0.29 4.52 -0.02 0.44 0.52 0.06 -4.88 118.95 119.88 1k49 s ARG 132 Ca -0.17 1.12 0.04 0.00 -0.52 0.00 0.00 55.73 56.20 1k49 s ARG 132 Cb -0.17 -3.20 -0.00 0.00 0.52 0.00 0.00 34.95 32.09 1k49 s ARG 132 CO 0.08 0.54 -0.13 1.03 0.02 0.00 0.00 175.30 176.85 1k49 s ARG 133 N -1.28 1.17 0.90 3.54 3.00 -1.26 -1.54 118.95 123.47 1k49 s ARG 133 Ca 0.37 -0.45 -0.13 0.00 0.00 0.00 0.00 55.73 55.52 1k49 s ARG 133 Cb -0.22 -1.09 0.20 0.00 0.00 0.00 0.00 34.95 33.84 1k49 s ARG 133 CO 0.25 0.22 1.23 -0.35 0.00 0.00 0.00 175.30 176.65 1k49 n PRO 134 N 2.99 -1.05 0.00 3.54 -0.04 -1.26 -5.07 135.00 134.11 1k49 n PRO 134 Ca -0.16 -2.09 0.00 0.00 -0.04 0.00 0.00 63.50 61.21 1k49 n PRO 134 Cb 0.55 -1.20 0.00 0.00 -0.04 0.00 0.00 33.50 32.80 1k49 n PRO 134 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1k49 n GLY 135 N -3.20 3.15 0.38 0.55 0.00 -1.15 -4.49 105.19 100.43 1k49 n GLY 135 Ca 0.16 -0.47 0.06 0.00 0.00 0.00 0.00 46.02 45.76 1k49 n GLY 135 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1k49 n HIS 136 N 0.00 0.00 -4.83 1.61 8.25 -0.80 -4.40 115.22 115.04 1k49 n HIS 136 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 57.72 57.13 1k49 n HIS 136 Cb 0.00 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 30.98 1k49 n HIS 136 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1k49 s VAL 137 N -1.19 3.18 -0.51 1.59 1.01 -0.39 -4.81 120.40 119.27 1k49 s VAL 137 Ca 0.12 -0.69 -0.01 0.00 0.00 0.00 0.00 61.98 61.40 1k49 s VAL 137 Cb 0.10 -2.26 0.13 0.00 0.00 0.00 0.00 36.38 34.35 1k49 s VAL 137 CO 0.21 0.59 0.30 -0.36 0.00 0.00 0.00 175.10 175.83 1k49 s PHE 138 N -0.75 3.47 0.58 5.22 0.40 -1.04 -1.02 117.98 124.83 1k49 s PHE 138 Ca 0.12 -2.72 -0.19 0.00 -0.60 0.00 0.00 56.93 53.54 1k49 s PHE 138 Cb -0.11 -3.13 -0.04 0.00 0.51 0.00 0.00 43.02 40.26 1k49 s PHE 138 CO 0.01 -0.88 1.21 -2.14 0.70 0.00 0.00 175.22 174.12 1k49 s PRO 139 N 0.40 3.03 -0.05 0.24 0.02 -1.26 -0.65 135.00 136.73 1k49 s PRO 139 Ca 0.13 1.85 0.02 0.00 0.02 0.00 0.00 61.00 63.02 1k49 s PRO 139 Cb -0.22 -1.98 0.01 0.00 0.02 0.00 0.00 34.50 32.34 1k49 s PRO 139 CO -0.04 -1.16 -0.09 -0.51 -0.33 0.00 0.00 177.00 174.87 1k49 s LEU 140 N -3.97 1.59 -0.56 -5.54 1.43 -0.33 -1.64 118.68 109.66 1k49 s LEU 140 Ca 0.76 -0.21 -0.26 0.00 -1.03 0.00 0.00 54.13 53.39 1k49 s LEU 140 Cb -0.31 -0.63 0.04 0.00 0.03 0.00 0.00 46.19 45.31 1k49 s LEU 140 CO 0.34 0.02 1.06 -0.60 0.23 0.00 0.00 176.35 177.40 1k49 s ARG 141 N 0.59 3.43 0.51 1.70 3.52 -0.59 -0.34 118.95 127.78 1k49 s ARG 141 Ca -0.10 0.01 -0.21 0.00 -0.13 0.00 0.00 55.73 55.30 1k49 s ARG 141 Cb -0.13 -4.03 -0.06 0.00 -1.56 0.00 0.00 34.95 29.17 1k49 s ARG 141 CO 0.02 -1.56 1.14 0.00 -0.81 0.00 0.00 175.30 174.08 1k49 s ALA 142 N 4.41 2.80 0.39 6.12 0.00 0.38 -4.57 121.76 131.29 1k49 s ALA 142 Ca 0.37 0.85 -0.24 0.00 0.00 0.00 0.00 51.96 52.94 1k49 s ALA 142 Cb -0.10 -3.36 -0.09 0.00 0.00 0.00 0.00 23.12 19.57 1k49 s ALA 142 CO 0.23 -0.71 1.04 0.14 0.00 0.00 0.00 175.76 176.45 1k49 s VAL 143 N -1.70 3.79 0.32 0.00 -7.23 -1.26 -4.21 120.40 110.11 1k49 s VAL 143 Ca 0.69 1.38 0.11 0.00 -1.81 0.00 0.00 61.98 62.35 1k49 s VAL 143 Cb -0.25 -3.72 0.32 0.00 0.56 0.00 0.00 36.38 33.29 1k49 s VAL 143 CO 0.29 0.02 1.69 0.00 -0.31 0.00 0.00 175.10 176.80 1k49 h ALA 144 N 2.58 1.81 0.00 1.32 0.00 -1.99 -0.80 119.26 122.18 1k49 h ALA 144 Ca -0.48 0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1k49 h ALA 144 Cb 1.21 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1k49 h ALA 144 CO 0.63 -0.41 0.00 0.41 0.00 0.00 0.00 179.25 179.88 1k49 n GLY 145 N -1.31 -0.77 7.00 0.00 0.00 -1.26 -5.01 105.19 103.84 1k49 n GLY 145 Ca 0.28 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1k49 n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k49 n GLY 146 N 0.31 -1.15 0.29 -0.02 0.00 -0.31 -3.49 105.19 100.81 1k49 n GLY 146 Ca 0.12 -1.18 0.15 0.00 0.00 0.00 0.00 46.02 45.12 1k49 n GLY 146 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1k49 h VAL 147 N 0.00 0.42 0.00 1.61 -1.51 -1.80 0.11 116.25 115.08 1k49 h VAL 147 Ca 0.00 -0.30 0.00 0.00 -1.23 0.00 0.00 66.70 65.17 1k49 h VAL 147 Cb 0.00 1.20 0.00 0.00 -2.13 0.00 0.00 31.29 30.36 1k49 h VAL 147 CO 0.00 0.06 0.00 0.03 -1.23 0.00 0.00 177.57 176.43 1k49 h ARG 148 N 0.00 0.00 0.09 5.19 3.08 -1.96 -3.29 114.38 117.50 1k49 h ARG 148 Ca -0.00 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.72 1k49 h ARG 148 Cb 0.20 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 1k49 h ARG 148 CO 0.01 0.00 -1.82 0.00 -1.07 0.00 0.00 179.97 177.09 1k49 n ALA 149 N -2.04 0.86 -3.70 0.04 0.00 -0.08 -4.86 120.51 110.73 1k49 n ALA 149 Ca 0.02 -0.57 -0.25 0.00 0.00 0.00 0.00 53.44 52.65 1k49 n ALA 149 Cb 0.37 -0.64 -0.17 0.00 0.00 0.00 0.00 19.45 19.01 1k49 n ALA 149 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1k49 s ARG 150 N -2.51 0.37 0.00 0.00 3.52 -0.57 -5.02 118.95 114.75 1k49 s ARG 150 Ca -0.24 -0.07 -0.04 0.00 -0.13 0.00 0.00 55.73 55.25 1k49 s ARG 150 Cb 0.06 -1.49 -0.19 0.00 -1.56 0.00 0.00 34.95 31.77 1k49 s ARG 150 CO 0.72 -0.51 2.98 0.54 -0.81 0.00 0.00 175.30 178.22 1k49 n ARG 151 N 5.18 1.60 -3.90 5.12 1.74 -1.24 -4.19 116.66 120.96 1k49 n ARG 151 Ca -0.07 -0.70 -0.21 0.00 -0.77 0.00 0.00 57.85 56.10 1k49 n ARG 151 Cb 0.49 -1.75 -0.02 0.00 -1.02 0.00 0.00 32.46 30.15 1k49 n ARG 151 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1k49 s GLY 152 N 2.08 1.40 0.46 -0.13 0.00 -1.26 -4.76 107.32 105.10 1k49 s GLY 152 Ca 0.47 -1.37 0.19 0.00 0.00 0.00 0.00 44.72 44.01 1k49 s GLY 152 CO 0.00 -1.36 1.97 0.45 0.00 0.00 0.00 173.10 174.16 1k49 h HIS 153 N 1.21 0.00 0.28 1.90 3.86 -1.97 -1.40 115.15 119.02 1k49 h HIS 153 Ca -0.49 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.71 1k49 h HIS 153 Cb 1.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.71 1k49 h HIS 153 CO 0.48 0.21 -0.13 1.15 0.86 0.00 0.00 177.93 180.50 1k49 h THR 154 N 0.00 0.76 -0.90 2.45 2.02 -1.94 -0.94 112.91 114.36 1k49 h THR 154 Ca -0.00 -0.22 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 1k49 h THR 154 Cb 0.43 0.88 -0.04 0.00 -1.74 0.00 0.00 68.15 67.68 1k49 h THR 154 CO 0.03 0.05 0.52 -0.33 0.37 0.00 0.00 175.52 176.16 1k49 h GLU 155 N -0.48 1.23 -0.79 6.66 3.07 -1.75 -2.34 114.58 120.17 1k49 h GLU 155 Ca -0.04 -0.12 0.05 0.00 -0.50 0.00 0.00 59.36 58.75 1k49 h GLU 155 Cb 0.36 -0.25 -0.06 0.00 -0.84 0.00 0.00 28.75 27.96 1k49 h GLU 155 CO 0.06 0.87 0.49 0.00 -1.40 0.00 0.00 179.01 179.03 1k49 h ALA 156 N 1.33 1.07 0.17 3.43 0.00 -1.05 0.63 119.26 124.85 1k49 h ALA 156 Ca 0.32 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1k49 h ALA 156 Cb -0.03 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.55 1k49 h ALA 156 CO -0.06 0.23 -0.08 0.78 0.00 0.00 0.00 179.25 180.12 1k49 h GLY 157 N 0.91 -0.24 1.25 0.00 0.00 -0.65 0.26 103.07 104.59 1k49 h GLY 157 Ca 0.34 0.09 -0.04 0.00 0.00 0.00 0.00 47.33 47.72 1k49 h GLY 157 CO -0.16 -0.09 0.24 -2.08 0.00 0.00 0.00 176.54 174.45 1k49 h VAL 158 N -0.29 1.23 -0.49 4.60 2.07 -1.12 -1.46 116.25 120.79 1k49 h VAL 158 Ca -0.02 -0.75 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 1k49 h VAL 158 Cb 0.23 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1k49 h VAL 158 CO 0.04 0.30 0.22 -0.08 0.02 0.00 0.00 177.57 178.07 1k49 h GLU 159 N 0.94 0.71 -0.84 1.57 4.57 0.61 -1.56 114.58 120.58 1k49 h GLU 159 Ca 0.22 -0.11 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 1k49 h GLU 159 Cb 0.21 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.64 1k49 h GLU 159 CO -0.02 0.60 0.47 -0.07 -1.18 0.00 0.00 179.01 178.82 1k49 h LEU 160 N 0.64 1.04 -0.24 1.64 3.38 -0.11 -0.77 115.31 120.91 1k49 h LEU 160 Ca 0.17 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.09 1k49 h LEU 160 Cb 0.14 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 1k49 h LEU 160 CO -0.02 0.83 0.01 0.00 0.09 0.00 0.00 178.44 179.36 1k49 h ARG 162 N 0.09 0.06 -0.64 0.00 2.43 -1.02 0.24 114.38 115.54 1k49 h ARG 162 Ca 0.11 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1k49 h ARG 162 Cb 0.13 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.64 1k49 h ARG 162 CO -0.18 0.04 0.41 -0.07 -1.51 0.00 0.00 179.97 178.66 1k49 h LEU 163 N 0.07 0.75 -1.44 3.80 3.38 -0.87 -2.02 115.31 118.98 1k49 h LEU 163 Ca 0.02 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1k49 h LEU 163 Cb -0.01 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1k49 h LEU 163 CO -0.00 0.56 0.00 0.00 0.09 0.00 0.00 178.44 179.09 1k49 n ALA 164 N -2.44 2.49 -1.83 1.53 0.00 0.36 -4.94 120.51 115.68 1k49 n ALA 164 Ca 0.06 -0.64 -0.10 0.00 0.00 0.00 0.00 53.44 52.76 1k49 n ALA 164 Cb 0.05 -1.03 -0.02 0.00 0.00 0.00 0.00 19.45 18.46 1k49 n ALA 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k49 n GLY 165 N 1.23 0.42 4.01 0.00 0.00 -0.64 -4.77 105.19 105.45 1k49 n GLY 165 Ca 0.17 -0.52 -0.19 0.00 0.00 0.00 0.00 46.02 45.48 1k49 n GLY 165 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k49 s LYS 166 N -3.83 2.53 0.54 1.61 -0.14 0.75 -5.03 119.74 116.16 1k49 s LYS 166 Ca 0.00 -1.32 -0.22 0.00 -1.36 0.00 0.00 55.97 53.07 1k49 s LYS 166 Cb 0.00 -2.66 -0.05 0.00 -1.68 0.00 0.00 37.83 33.44 1k49 s LYS 166 CO 0.00 -0.62 1.33 1.03 -0.76 0.00 0.00 175.35 176.34 1k49 s ARG 167 N -4.57 3.18 0.00 1.68 1.81 -1.26 -4.52 118.95 115.27 1k49 s ARG 167 Ca 0.59 2.17 -0.03 0.00 -1.72 0.00 0.00 55.73 56.73 1k49 s ARG 167 Cb -0.08 -2.25 -0.15 0.00 -0.45 0.00 0.00 34.95 32.01 1k49 s ARG 167 CO 0.37 -1.14 2.63 -0.35 -0.68 0.00 0.00 175.30 176.13 1k49 n PRO 168 N -1.02 1.39 -3.71 3.54 -0.04 -1.26 -4.73 135.00 129.17 1k49 n PRO 168 Ca 0.10 -0.57 -0.16 0.00 -0.04 0.00 0.00 63.50 62.83 1k49 n PRO 168 Cb 0.45 -1.66 -0.16 0.00 -0.04 0.00 0.00 33.50 32.09 1k49 n PRO 168 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1k49 s VAL 169 N 1.06 -0.12 0.53 0.52 1.01 -1.26 -3.44 120.40 118.69 1k49 s VAL 169 Ca 0.38 0.30 0.04 0.00 0.00 0.00 0.00 61.98 62.70 1k49 s VAL 169 Cb 0.18 -0.20 0.02 0.00 0.00 0.00 0.00 36.38 36.38 1k49 s VAL 169 CO 0.00 0.12 0.24 0.00 0.00 0.00 0.00 175.10 175.46 1k49 s ALA 170 N 1.69 4.28 -0.05 5.51 0.00 -0.01 -1.81 121.76 131.37 1k49 s ALA 170 Ca -0.02 -0.94 0.03 0.00 0.00 0.00 0.00 51.96 51.02 1k49 s ALA 170 Cb -0.12 -0.43 0.01 0.00 0.00 0.00 0.00 23.12 22.58 1k49 s ALA 170 CO -0.05 -0.27 -0.13 0.08 0.00 0.00 0.00 175.76 175.39 1k49 s VAL 171 N -2.81 1.19 0.09 0.00 1.01 0.42 -2.96 120.40 117.34 1k49 s VAL 171 Ca 0.23 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.69 1k49 s VAL 171 Cb -0.01 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.27 1k49 s VAL 171 CO 0.14 0.36 -0.06 0.27 0.00 0.00 0.00 175.10 175.81 1k49 s ILE 172 N 0.41 0.62 -0.19 2.22 -4.36 0.73 -1.71 121.20 118.92 1k49 s ILE 172 Ca -0.10 -1.80 -0.28 0.00 -0.26 0.00 0.00 60.65 58.21 1k49 s ILE 172 Cb -0.14 -1.52 0.09 0.00 1.25 0.00 0.00 42.46 42.15 1k49 s ILE 172 CO 0.03 -0.82 0.82 -0.55 0.24 0.00 0.00 174.94 174.65 1k49 s SER 173 N -2.83 -0.60 0.11 4.36 0.15 -1.00 -1.29 113.70 112.60 1k49 s SER 173 Ca 0.08 0.93 -0.26 0.00 0.70 0.00 0.00 55.95 57.41 1k49 s SER 173 Cb 0.03 0.87 -0.07 0.00 -1.71 0.00 0.00 66.02 65.15 1k49 s SER 173 CO -0.05 -0.36 0.81 -1.61 1.20 0.00 0.00 173.24 173.24 1k49 s GLU 174 N -0.38 4.57 -0.58 5.44 8.01 -1.26 -1.36 118.70 133.14 1k49 s GLU 174 Ca -0.03 1.18 -0.27 0.00 0.01 0.00 0.00 54.97 55.85 1k49 s GLU 174 Cb -0.03 -3.33 0.03 0.00 -4.31 0.00 0.00 34.13 26.50 1k49 s GLU 174 CO 0.02 0.38 1.14 0.42 0.01 0.00 0.00 175.26 177.24 1k49 s ILE 175 N -0.48 4.09 0.63 -1.63 1.01 0.29 -0.62 121.20 124.50 1k49 s ILE 175 Ca 0.39 0.77 -0.06 0.00 0.00 0.00 0.00 60.65 61.75 1k49 s ILE 175 Cb -0.22 -4.69 0.03 0.00 0.01 0.00 0.00 42.46 37.59 1k49 s ILE 175 CO 0.26 -1.31 0.94 0.68 0.00 0.00 0.00 174.94 175.51 1k49 s VAL 176 N 4.76 3.07 -0.42 2.92 -7.23 -1.26 -2.24 120.40 120.00 1k49 s VAL 176 Ca 0.40 -0.14 -0.10 0.00 -1.81 0.00 0.00 61.98 60.33 1k49 s VAL 176 Cb -0.08 -3.26 0.07 0.00 0.56 0.00 0.00 36.38 33.67 1k49 s VAL 176 CO 0.24 -0.26 0.28 -0.62 -0.31 0.00 0.00 175.10 174.42 1k49 s ASP 177 N -4.39 5.74 0.00 4.85 -1.08 0.46 -4.41 116.67 117.83 1k49 s ASP 177 Ca 0.56 -1.41 0.10 0.00 -0.52 0.00 0.00 52.55 51.28 1k49 s ASP 177 Cb -0.11 -2.03 0.56 0.00 -1.46 0.00 0.00 42.92 39.89 1k49 s ASP 177 CO 0.45 -0.54 1.11 0.47 0.52 0.00 0.00 175.17 177.18 1k49 n ASP 178 N 4.98 0.00 0.00 -0.34 8.00 -1.26 -1.36 116.55 126.56 1k49 n ASP 178 Ca -0.11 -0.13 0.00 0.00 0.71 0.00 0.00 54.79 55.26 1k49 n ASP 178 Cb 0.43 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.42 1k49 n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1k49 n GLY 179 N -0.40 -0.27 3.62 0.44 0.00 -1.26 -4.67 105.19 102.64 1k49 n GLY 179 Ca 0.06 -1.05 -0.32 0.00 0.00 0.00 0.00 46.02 44.71 1k49 n GLY 179 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k49 s GLN 180 N 0.00 2.52 0.66 1.61 1.11 0.69 -4.85 119.66 121.40 1k49 s GLN 180 Ca 0.00 -0.77 -0.17 0.00 0.01 0.00 0.00 55.36 54.43 1k49 s GLN 180 Cb 0.00 -2.50 -0.00 0.00 -1.01 0.00 0.00 33.01 29.50 1k49 s GLN 180 CO 0.00 0.58 1.26 -2.00 0.01 0.00 0.00 175.29 175.14 1k49 s GLU 181 N -1.69 2.49 -0.23 2.91 2.12 -1.26 -1.32 118.70 121.72 1k49 s GLU 181 Ca 0.19 1.96 -0.01 0.00 0.36 0.00 0.00 54.97 57.48 1k49 s GLU 181 Cb -0.11 -1.85 0.07 0.00 0.26 0.00 0.00 34.13 32.49 1k49 s GLU 181 CO 0.10 -1.62 0.01 0.08 -0.54 0.00 0.00 175.26 173.29 1k49 s VAL 182 N -1.56 1.01 0.15 3.70 1.01 -1.26 -4.77 120.40 118.67 1k49 s VAL 182 Ca 0.80 -0.96 -0.34 0.00 0.00 0.00 0.00 61.98 61.47 1k49 s VAL 182 Cb -0.35 -1.45 -0.15 0.00 0.00 0.00 0.00 36.38 34.44 1k49 s VAL 182 CO 0.40 -0.23 1.46 1.21 0.00 0.00 0.00 175.10 177.94 1k49 n GLU 183 N 4.86 1.76 -1.18 2.72 4.07 -1.26 -2.38 120.64 129.22 1k49 n GLU 183 Ca -0.09 0.63 -0.06 0.00 -0.06 0.00 0.00 57.16 57.58 1k49 n GLU 183 Cb 0.45 -2.33 -0.03 0.00 -0.06 0.00 0.00 31.44 29.47 1k49 n GLU 183 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1k49 n GLY 184 N 2.89 0.67 3.09 8.31 0.00 -1.26 -4.98 105.19 113.91 1k49 n GLY 184 Ca 0.17 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 1k49 n GLY 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k49 s ARG 185 N -2.33 1.34 -1.12 1.61 1.81 -1.00 -5.05 118.95 114.20 1k49 s ARG 185 Ca 0.00 -0.49 -0.08 0.00 -1.72 0.00 0.00 55.73 53.44 1k49 s ARG 185 Cb 0.00 -1.22 -0.13 0.00 -0.45 0.00 0.00 34.95 33.15 1k49 s ARG 185 CO 0.00 0.23 3.01 0.00 -0.68 0.00 0.00 175.30 177.86 1k49 n ALA 186 N 3.04 6.87 -2.86 2.13 0.00 -1.26 -4.61 120.51 123.83 1k49 n ALA 186 Ca -0.17 -2.88 -0.10 0.00 0.00 0.00 0.00 53.44 50.30 1k49 n ALA 186 Cb 0.54 -3.05 -0.06 0.00 0.00 0.00 0.00 19.45 16.87 1k49 n ALA 186 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1k49 s VAL 187 N 2.02 0.04 -0.04 0.00 -7.23 -1.26 -5.16 120.40 108.76 1k49 s VAL 187 Ca 0.65 -1.39 0.02 0.00 -1.81 0.00 0.00 61.98 59.45 1k49 s VAL 187 Cb 0.20 -1.98 0.01 0.00 0.56 0.00 0.00 36.38 35.17 1k49 s VAL 187 CO -0.04 -0.17 -0.09 -0.13 -0.31 0.00 0.00 175.10 174.36 1k49 s ARG 188 N -3.99 1.21 0.21 4.82 1.81 -1.26 -4.06 118.95 117.68 1k49 s ARG 188 Ca 0.20 -0.30 -0.21 0.00 -1.72 0.00 0.00 55.73 53.70 1k49 s ARG 188 Cb 0.02 -1.08 -0.08 0.00 -0.45 0.00 0.00 34.95 33.36 1k49 s ARG 188 CO 0.03 0.04 0.73 0.00 -0.68 0.00 0.00 175.30 175.42 1k49 s ALA 189 N 0.54 3.42 -1.31 2.13 0.00 -0.44 -4.41 121.76 121.69 1k49 s ALA 189 Ca -0.09 0.20 -0.06 0.00 0.00 0.00 0.00 51.96 52.00 1k49 s ALA 189 Cb -0.13 -2.84 -0.00 0.00 0.00 0.00 0.00 23.12 20.15 1k49 s ALA 189 CO 0.02 0.32 0.57 0.00 0.00 0.00 0.00 175.76 176.67 1k49 n ALA 190 N 0.90 -2.18 -1.62 0.00 0.00 -1.26 -0.22 120.51 116.14 1k49 n ALA 190 Ca -0.03 -0.25 -0.30 0.00 0.00 0.00 0.00 53.44 52.87 1k49 n ALA 190 Cb 0.51 -2.33 0.18 0.00 0.00 0.00 0.00 19.45 17.81 1k49 n ALA 190 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1k49 s PRO 191 N -6.30 0.35 0.00 0.00 0.04 -1.26 -4.25 135.00 123.58 1k49 s PRO 191 Ca 0.14 -0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.05 1k49 s PRO 191 Cb -0.05 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.70 1k49 s PRO 191 CO 0.87 -2.66 0.00 0.41 0.04 0.00 0.00 177.00 175.66 1k49 n GLY 192 N -2.65 -0.77 3.24 0.56 0.00 -0.46 -4.88 105.19 100.23 1k49 n GLY 192 Ca 0.12 -0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.58 1k49 n GLY 192 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1k49 s MET 193 N -0.65 1.34 0.11 1.61 -1.94 -1.26 -0.40 119.30 118.11 1k49 s MET 193 Ca 0.00 -0.94 -0.31 0.00 -1.71 0.00 0.00 55.69 52.73 1k49 s MET 193 Cb 0.00 -1.45 -0.08 0.00 2.01 0.00 0.00 34.83 35.31 1k49 s MET 193 CO 0.00 0.37 1.42 -1.17 -0.01 0.00 0.00 175.02 175.63 1k49 s LEU 194 N -1.21 4.37 0.28 -0.03 1.98 -0.95 -4.62 118.68 118.50 1k49 s LEU 194 Ca 0.07 2.36 0.10 0.00 -2.89 0.00 0.00 54.13 53.76 1k49 s LEU 194 Cb -0.09 -3.59 -0.05 0.00 0.66 0.00 0.00 46.19 43.12 1k49 s LEU 194 CO 0.02 -0.68 -0.15 -0.13 -1.89 0.00 0.00 176.35 173.52 1k49 s ARG 195 N 1.22 1.61 0.00 1.98 0.52 -1.26 -4.06 118.95 118.96 1k49 s ARG 195 Ca 0.65 -1.76 0.00 0.00 -0.52 0.00 0.00 55.73 54.10 1k49 s ARG 195 Cb -0.38 -1.53 0.00 0.00 0.52 0.00 0.00 34.95 33.56 1k49 s ARG 195 CO 0.30 0.22 0.00 0.41 0.02 0.00 0.00 175.30 176.25 1k49 n GLY 196 N -0.60 0.00 0.32 -3.53 0.00 -1.26 -0.31 105.19 99.81 1k49 n GLY 196 Ca -0.06 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.03 1k49 n GLY 196 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1k49 h ASP 197 N 0.00 0.62 -0.70 1.61 3.45 -2.00 0.17 116.42 119.56 1k49 h ASP 197 Ca 0.00 0.08 0.03 0.00 0.43 0.00 0.00 57.03 57.57 1k49 h ASP 197 Cb 0.00 -0.03 -0.04 0.00 -0.56 0.00 0.00 39.33 38.70 1k49 h ASP 197 CO 0.00 0.28 0.46 -0.33 -1.57 0.00 0.00 179.24 178.08 1k49 h GLU 198 N 0.70 0.84 -0.34 3.56 5.08 -1.06 -1.66 114.58 121.71 1k49 h GLU 198 Ca 0.46 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.76 1k49 h GLU 198 Cb 0.60 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 1k49 h GLU 198 CO -0.33 0.56 0.18 0.00 -1.00 0.00 0.00 179.01 178.41 1k49 h VAL 200 N 0.42 1.21 -0.99 0.00 2.07 -1.33 -0.34 116.25 117.29 1k49 h VAL 200 Ca 0.12 -0.66 0.02 0.00 0.82 0.00 0.00 66.70 67.01 1k49 h VAL 200 Cb 0.08 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 1k49 h VAL 200 CO -0.02 0.24 0.65 0.00 0.02 0.00 0.00 177.57 178.46 1k49 h ALA 201 N 1.00 1.29 -0.33 1.67 0.00 -0.87 -0.46 119.26 121.55 1k49 h ALA 201 Ca 0.14 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1k49 h ALA 201 Cb 0.22 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1k49 h ALA 201 CO -0.01 0.59 0.20 0.35 0.00 0.00 0.00 179.25 180.37 1k49 h PHE 202 N 1.29 0.44 -0.02 0.00 3.57 -0.49 -1.35 116.94 120.38 1k49 h PHE 202 Ca 0.38 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.89 1k49 h PHE 202 Cb -0.07 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 1k49 h PHE 202 CO -0.00 0.33 -0.05 0.00 -2.23 0.00 0.00 178.31 176.36 1k49 h ALA 203 N 1.07 -0.03 -0.54 2.41 0.00 -0.37 -2.55 119.26 119.25 1k49 h ALA 203 Ca 0.12 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1k49 h ALA 203 Cb 0.02 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1k49 h ALA 203 CO -0.02 -0.54 0.26 0.00 0.00 0.00 0.00 179.25 178.95 1k49 h ARG 204 N -0.08 0.48 -0.95 0.00 2.47 -0.90 -0.80 114.38 114.60 1k49 h ARG 204 Ca 0.03 -0.03 0.16 0.00 -1.26 0.00 0.00 59.98 58.88 1k49 h ARG 204 Cb 0.12 -0.11 -0.08 0.00 -1.65 0.00 0.00 29.97 28.25 1k49 h ARG 204 CO -0.07 0.32 0.60 -0.09 0.56 0.00 0.00 179.97 181.29 1k49 h ARG 205 N 0.49 0.73 -0.66 0.04 2.43 -0.99 -2.11 114.38 114.31 1k49 h ARG 205 Ca 0.25 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1k49 h ARG 205 Cb 0.19 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.58 1k49 h ARG 205 CO -0.19 0.48 0.00 0.91 -1.51 0.00 0.00 179.97 179.66 1k49 n TRP 206 N -4.62 0.87 -3.09 2.20 7.02 -0.85 -4.97 117.44 114.01 1k49 n TRP 206 Ca 0.20 -0.49 -0.18 0.00 -1.02 0.00 0.00 57.50 56.01 1k49 n TRP 206 Cb 0.50 -0.01 0.04 0.00 -2.42 0.00 0.00 31.31 29.43 1k49 n TRP 206 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1k49 n GLY 207 N 1.46 -0.24 3.63 6.99 0.00 -0.43 -5.02 105.19 111.58 1k49 n GLY 207 Ca 0.22 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.96 1k49 n GLY 207 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k49 s LEU 208 N -5.62 3.22 0.55 0.99 1.43 -0.50 -5.03 118.68 113.71 1k49 s LEU 208 Ca 0.34 -0.42 -0.13 0.00 -1.03 0.00 0.00 54.13 52.89 1k49 s LEU 208 Cb -0.15 -1.90 -0.06 0.00 0.03 0.00 0.00 46.19 44.12 1k49 s LEU 208 CO 0.42 0.11 0.97 -0.54 0.23 0.00 0.00 176.35 177.54 1k49 s LYS 209 N -2.80 3.76 -0.03 1.70 -0.14 -1.26 -4.34 119.74 116.62 1k49 s LYS 209 Ca 0.26 0.77 -0.03 0.00 -1.36 0.00 0.00 55.97 55.62 1k49 s LYS 209 Cb -0.09 -2.15 0.01 0.00 -1.68 0.00 0.00 37.83 33.91 1k49 s LYS 209 CO 0.17 -0.37 0.08 0.54 -0.76 0.00 0.00 175.35 175.01 1k49 s VAL 210 N -2.85 0.01 0.35 3.17 0.11 -1.26 -0.98 120.40 118.95 1k49 s VAL 210 Ca 0.56 -0.10 -0.14 0.00 -2.93 0.00 0.00 61.98 59.36 1k49 s VAL 210 Cb -0.10 -0.15 0.04 0.00 -1.53 0.00 0.00 36.38 34.63 1k49 s VAL 210 CO 0.42 -0.05 0.71 0.00 -3.33 0.00 0.00 175.10 172.84 1k49 s THR 212 N -2.83 3.26 0.30 0.00 -4.23 -1.26 -0.55 115.64 110.32 1k49 s THR 212 Ca 0.17 -1.44 -0.01 0.00 -1.18 0.00 0.00 61.69 59.24 1k49 s THR 212 Cb -0.04 -2.56 0.18 0.00 1.34 0.00 0.00 72.50 71.42 1k49 s THR 212 CO 0.12 0.02 1.87 0.40 -0.54 0.00 0.00 174.62 176.49 1k49 h ILE 213 N 3.08 1.21 -0.40 2.99 2.04 -1.09 -0.62 117.51 124.72 1k49 h ILE 213 Ca -0.48 -0.69 0.07 0.00 1.00 0.00 0.00 64.86 64.76 1k49 h ILE 213 Cb 1.18 0.55 -0.06 0.00 -0.74 0.00 0.00 36.82 37.75 1k49 h ILE 213 CO 0.52 0.27 0.06 -0.08 0.00 0.00 0.00 178.15 178.92 1k49 h GLU 214 N 0.83 0.18 -0.16 2.37 4.81 -1.93 0.36 114.58 121.04 1k49 h GLU 214 Ca 0.19 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.34 1k49 h GLU 214 Cb 0.19 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1k49 h GLU 214 CO -0.01 0.12 -0.24 -0.44 -0.73 0.00 0.00 179.01 177.71 1k49 h ASP 215 N 0.19 0.28 -0.68 1.04 5.19 -1.70 -1.30 116.42 119.43 1k49 h ASP 215 Ca 0.20 -0.08 -0.04 0.00 -0.62 0.00 0.00 57.03 56.48 1k49 h ASP 215 Cb 0.25 -0.07 -0.03 0.00 0.18 0.00 0.00 39.33 39.65 1k49 h ASP 215 CO -0.27 0.52 0.25 -0.03 -3.12 0.00 0.00 179.24 176.60 1k49 h MET 216 N 0.26 1.03 -0.45 3.56 4.05 0.47 -0.95 114.93 122.90 1k49 h MET 216 Ca 0.04 -0.20 -0.03 0.00 -0.28 0.00 0.00 59.70 59.24 1k49 h MET 216 Cb 0.56 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.18 1k49 h MET 216 CO 0.04 0.87 0.16 0.82 0.23 0.00 0.00 176.91 179.03 1k49 h ILE 217 N 0.97 1.21 -0.86 1.77 2.04 0.18 -1.60 117.51 121.23 1k49 h ILE 217 Ca 0.22 -0.67 0.09 0.00 1.00 0.00 0.00 64.86 65.50 1k49 h ILE 217 Cb 0.24 0.81 -0.07 0.00 -0.74 0.00 0.00 36.82 37.06 1k49 h ILE 217 CO -0.02 0.25 0.51 0.00 0.00 0.00 0.00 178.15 178.89 1k49 h ALA 218 N 1.01 1.23 0.49 1.87 0.00 -0.78 0.85 119.26 123.94 1k49 h ALA 218 Ca 0.15 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1k49 h ALA 218 Cb 0.22 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1k49 h ALA 218 CO -0.01 0.17 -0.27 1.25 0.00 0.00 0.00 179.25 180.39 1k49 h HIS 219 N 0.87 -0.71 -0.68 0.00 -0.00 -0.89 -2.88 115.15 110.87 1k49 h HIS 219 Ca 0.41 -0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.77 1k49 h HIS 219 Cb 0.33 0.25 -0.03 0.00 -0.00 0.00 0.00 27.41 27.95 1k49 h HIS 219 CO -0.04 -0.43 0.44 0.28 -0.00 0.00 0.00 177.93 178.18 1k49 h VAL 220 N -0.72 1.18 0.00 5.26 2.07 -0.70 -1.50 116.25 121.84 1k49 h VAL 220 Ca -0.06 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.13 1k49 h VAL 220 Cb 0.57 0.18 -0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1k49 h VAL 220 CO 0.08 0.17 -0.04 -0.33 0.02 0.00 0.00 177.57 177.47 1k49 h GLU 221 N 0.92 0.00 -0.38 1.57 5.08 -0.65 -0.03 114.58 121.10 1k49 h GLU 221 Ca 0.25 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.66 1k49 h GLU 221 Cb -0.10 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1k49 h GLU 221 CO -0.05 0.04 0.26 0.87 -1.00 0.00 0.00 179.01 179.13 1k49 h LYS 222 N 0.00 0.26 0.01 2.33 1.57 -1.07 0.30 116.57 119.97 1k49 h LYS 222 Ca -0.00 -0.02 -0.39 0.00 -1.87 0.00 0.00 60.65 58.37 1k49 h LYS 222 Cb 0.24 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.42 1k49 h LYS 222 CO 0.01 0.17 -2.45 2.41 -0.57 0.00 0.00 179.45 179.02 1k49 n THR 223 N -4.48 1.51 1.04 -0.16 -1.04 -0.81 -4.66 114.28 105.68 1k49 n THR 223 Ca 0.05 -0.56 0.11 0.00 -2.04 0.00 0.00 64.05 61.61 1k49 n THR 223 Cb 0.25 -1.48 0.06 0.00 -1.82 0.00 0.00 70.33 67.35 1k49 n THR 223 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1k49 n GLU 224 N -3.35 0.59 -0.82 -2.82 1.02 -0.09 -5.16 120.64 110.01 1k49 n GLU 224 Ca -0.46 -0.45 0.00 0.00 -0.02 0.00 0.00 57.16 56.23 1k49 n GLU 224 Cb 0.99 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.91 1k49 n GLU 224 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72