#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k4o s ASP 13 N 0.00 6.56 0.33 4.37 1.01 0.34 -5.02 116.67 124.25 1k4o s ASP 13 Ca 0.00 1.38 -0.28 0.00 0.71 0.00 0.00 52.55 54.36 1k4o s ASP 13 Cb 0.00 -2.43 -0.09 0.00 1.01 0.00 0.00 42.92 41.41 1k4o s ASP 13 CO 0.00 -0.53 1.13 0.00 0.21 0.00 0.00 175.17 175.98 1k4o s ALA 14 N -2.55 3.32 0.29 5.23 0.00 -1.26 -4.73 121.76 122.06 1k4o s ALA 14 Ca 0.55 0.92 0.04 0.00 0.00 0.00 0.00 51.96 53.48 1k4o s ALA 14 Cb -0.10 -3.35 0.67 0.00 0.00 0.00 0.00 23.12 20.35 1k4o s ALA 14 CO 0.33 -0.29 1.78 0.82 0.00 0.00 0.00 175.76 178.39 1k4o h ILE 15 N 2.81 0.73 -0.72 0.00 1.08 -1.95 -0.28 117.51 119.18 1k4o h ILE 15 Ca -0.48 -0.26 0.07 0.00 -0.39 0.00 0.00 64.86 63.80 1k4o h ILE 15 Cb 1.22 -0.09 -0.04 0.00 -3.07 0.00 0.00 36.82 34.83 1k4o h ILE 15 CO 0.65 0.14 0.47 -0.65 -0.69 0.00 0.00 178.15 178.07 1k4o h PRO 16 N 0.75 0.71 -0.04 2.37 0.11 -1.99 0.67 132.00 134.59 1k4o h PRO 16 Ca 0.55 -0.04 -0.17 0.00 0.11 0.00 0.00 66.00 66.45 1k4o h PRO 16 Cb 0.81 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.74 1k4o h PRO 16 CO -0.37 0.47 -0.71 -0.44 -0.21 0.00 0.00 178.00 176.74 1k4o h ASP 17 N 0.74 0.26 -0.42 -2.05 3.32 -1.45 -1.84 116.42 114.98 1k4o h ASP 17 Ca 0.31 -0.18 -0.09 0.00 0.02 0.00 0.00 57.03 57.09 1k4o h ASP 17 Cb 0.27 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 1k4o h ASP 17 CO -0.10 0.89 -0.09 0.58 -1.72 0.00 0.00 179.24 178.80 1k4o h VAL 18 N 0.15 1.27 -0.48 -1.35 2.07 -0.67 -2.15 116.25 115.09 1k4o h VAL 18 Ca -0.02 -1.18 0.02 0.00 0.82 0.00 0.00 66.70 66.34 1k4o h VAL 18 Cb 1.27 1.17 -0.03 0.00 -1.52 0.00 0.00 31.29 32.18 1k4o h VAL 18 CO 0.11 0.40 0.29 0.40 0.02 0.00 0.00 177.57 178.79 1k4o h ILE 19 N 0.63 1.05 -0.61 4.57 2.04 -0.75 -0.49 117.51 123.95 1k4o h ILE 19 Ca 0.11 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 65.76 1k4o h ILE 19 Cb 0.61 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 1k4o h ILE 19 CO 0.04 0.10 0.35 -0.61 0.00 0.00 0.00 178.15 178.03 1k4o h GLN 20 N 0.57 0.84 -0.82 2.37 5.75 -1.24 0.17 115.11 122.77 1k4o h GLN 20 Ca 0.19 -0.09 -0.04 0.00 -0.15 0.00 0.00 58.65 58.57 1k4o h GLN 20 Cb 0.01 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 28.36 1k4o h GLN 20 CO -0.09 0.62 0.37 0.00 -2.65 0.00 0.00 178.83 177.09 1k4o h ALA 21 N 1.17 1.05 -0.60 3.38 0.00 -1.01 -1.16 119.26 122.10 1k4o h ALA 21 Ca 0.22 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 1k4o h ALA 21 Cb 0.02 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1k4o h ALA 21 CO -0.04 0.64 0.07 0.35 0.00 0.00 0.00 179.25 180.28 1k4o h PHE 22 N 1.17 1.05 -0.07 0.00 3.04 -0.65 -1.41 116.94 120.06 1k4o h PHE 22 Ca 0.28 -0.14 -0.04 0.00 3.98 0.00 0.00 57.97 62.05 1k4o h PHE 22 Cb 0.15 -0.29 -0.01 0.00 2.56 0.00 0.00 35.95 38.36 1k4o h PHE 22 CO 0.02 0.90 -0.12 -0.22 -2.02 0.00 0.00 178.31 176.86 1k4o h LYS 23 N 0.92 0.11 -0.05 1.11 3.64 -0.15 -1.34 116.57 120.82 1k4o h LYS 23 Ca 0.18 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1k4o h LYS 23 Cb 0.44 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1k4o h LYS 23 CO 0.01 0.24 0.00 0.09 -2.27 0.00 0.00 179.45 177.52 1k4o n ASN 24 N -4.34 0.22 -0.16 4.20 5.03 -0.48 -4.88 115.26 114.86 1k4o n ASN 24 Ca -0.02 -2.00 -0.02 0.00 0.87 0.00 0.00 54.58 53.41 1k4o n ASN 24 Cb 0.23 -0.03 -0.01 0.00 -1.02 0.00 0.00 39.78 38.95 1k4o n ASN 24 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1k4o n GLY 25 N 0.56 0.55 3.92 7.41 0.00 -0.51 -5.03 105.19 112.10 1k4o n GLY 25 Ca 0.01 -0.70 -0.26 0.00 0.00 0.00 0.00 46.02 45.08 1k4o n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1k4o s GLU 26 N -1.71 3.54 0.45 1.61 2.02 -0.88 -4.85 118.70 118.89 1k4o s GLU 26 Ca 0.00 -0.11 -0.22 0.00 0.02 0.00 0.00 54.97 54.66 1k4o s GLU 26 Cb 0.00 -2.59 -0.09 0.00 0.10 0.00 0.00 34.13 31.55 1k4o s GLU 26 CO 0.00 0.08 1.05 -0.06 0.02 0.00 0.00 175.26 176.35 1k4o s PHE 27 N -2.35 3.09 0.10 1.61 0.40 -1.26 -4.44 117.98 115.13 1k4o s PHE 27 Ca 0.43 1.60 0.07 0.00 -0.60 0.00 0.00 56.93 58.43 1k4o s PHE 27 Cb -0.10 -3.11 -0.03 0.00 0.51 0.00 0.00 43.02 40.29 1k4o s PHE 27 CO 0.36 -0.79 -0.19 0.14 0.70 0.00 0.00 175.22 175.44 1k4o s VAL 28 N -1.83 1.56 -0.25 -0.44 -7.23 0.04 -4.35 120.40 107.90 1k4o s VAL 28 Ca 0.63 -1.55 -0.10 0.00 -1.81 0.00 0.00 61.98 59.16 1k4o s VAL 28 Cb -0.19 -1.48 -0.04 0.00 0.56 0.00 0.00 36.38 35.22 1k4o s VAL 28 CO 0.24 -0.15 0.14 -0.69 -0.31 0.00 0.00 175.10 174.32 1k4o s VAL 29 N -1.37 5.02 -0.10 1.32 1.01 -0.27 -0.90 120.40 125.12 1k4o s VAL 29 Ca 0.06 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.11 1k4o s VAL 29 Cb -0.09 -3.35 0.02 0.00 0.00 0.00 0.00 36.38 32.95 1k4o s VAL 29 CO 0.04 0.32 -0.11 -0.69 0.00 0.00 0.00 175.10 174.66 1k4o s VAL 30 N 1.35 1.20 -0.17 2.92 1.01 -0.25 -0.77 120.40 125.69 1k4o s VAL 30 Ca 0.06 -0.44 -0.10 0.00 0.00 0.00 0.00 61.98 61.51 1k4o s VAL 30 Cb -0.15 -1.15 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 1k4o s VAL 30 CO 0.06 0.39 0.15 -0.76 0.00 0.00 0.00 175.10 174.94 1k4o s LEU 31 N 1.28 4.27 0.00 3.92 1.02 -0.34 -1.22 118.68 127.61 1k4o s LEU 31 Ca -0.02 0.33 -0.06 0.00 0.02 0.00 0.00 54.13 54.40 1k4o s LEU 31 Cb -0.14 -2.12 0.13 0.00 0.02 0.00 0.00 46.19 44.08 1k4o s LEU 31 CO -0.04 0.24 0.79 -0.90 0.02 0.00 0.00 176.35 176.46 1k4o n ASP 32 N 3.07 0.49 -4.77 2.29 5.75 -0.58 -1.07 116.55 121.73 1k4o n ASP 32 Ca -0.17 -1.54 -0.38 0.00 -0.01 0.00 0.00 54.79 52.69 1k4o n ASP 32 Cb 0.53 -0.57 -0.02 0.00 -1.03 0.00 0.00 41.12 40.03 1k4o n ASP 32 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1k4o s ASP 33 N -4.03 6.45 0.61 -1.12 2.15 -1.26 -4.56 116.67 114.90 1k4o s ASP 33 Ca 0.48 2.33 0.31 0.00 0.43 0.00 0.00 52.55 56.10 1k4o s ASP 33 Cb -0.02 -2.61 1.80 0.00 -0.30 0.00 0.00 42.92 41.79 1k4o s ASP 33 CO 0.33 -0.73 2.16 -0.65 -0.17 0.00 0.00 175.17 176.11 1k4o h PRO 34 N 2.50 0.00 -0.01 4.34 0.11 -1.95 0.12 132.00 137.11 1k4o h PRO 34 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1k4o h PRO 34 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1k4o h PRO 34 CO 0.62 0.00 -0.15 -1.13 -0.21 0.00 0.00 178.00 177.13 1k4o n SER 35 N -3.64 0.76 0.00 -2.05 3.41 -1.26 -4.31 113.62 106.53 1k4o n SER 35 Ca -0.00 -0.80 0.00 0.00 -0.26 0.00 0.00 58.87 57.81 1k4o n SER 35 Cb 0.24 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 1k4o n SER 35 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 1k4o n ARG 36 N -0.73 0.00 0.08 4.33 0.63 0.38 -4.94 116.66 116.41 1k4o n ARG 36 Ca 0.14 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.08 1k4o n ARG 36 Cb 0.30 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.17 1k4o n ARG 36 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1k4o h GLU 37 N 0.00 0.00 -5.11 -0.14 5.08 -1.85 -3.48 114.58 109.09 1k4o h GLU 37 Ca 0.00 0.00 -0.39 0.00 -1.00 0.00 0.00 59.36 57.97 1k4o h GLU 37 Cb 0.00 0.00 0.10 0.00 0.50 0.00 0.00 28.75 29.35 1k4o h GLU 37 CO 0.00 0.45 -0.63 -1.71 -1.00 0.00 0.00 179.01 176.12 1k4o n ASN 38 N -3.08 -6.20 -4.43 1.42 4.05 -1.00 -4.99 115.26 101.04 1k4o n ASN 38 Ca -0.04 -0.41 -0.28 0.00 0.45 0.00 0.00 54.58 54.30 1k4o n ASN 38 Cb 0.81 -4.91 -0.12 0.00 1.23 0.00 0.00 39.78 36.79 1k4o n ASN 38 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 1k4o s GLU 39 N -6.01 1.54 -0.08 1.20 2.02 -1.26 -4.77 118.70 111.34 1k4o s GLU 39 Ca 0.45 -1.43 0.00 0.00 0.02 0.00 0.00 54.97 54.01 1k4o s GLU 39 Cb -0.20 -1.90 -0.03 0.00 0.10 0.00 0.00 34.13 32.10 1k4o s GLU 39 CO 0.55 0.42 -0.07 0.00 0.02 0.00 0.00 175.26 176.19 1k4o s ALA 40 N -1.44 2.98 0.16 5.21 0.00 -1.26 -1.53 121.76 125.87 1k4o s ALA 40 Ca 0.19 -0.88 0.09 0.00 0.00 0.00 0.00 51.96 51.36 1k4o s ALA 40 Cb -0.09 -1.27 -0.04 0.00 0.00 0.00 0.00 23.12 21.72 1k4o s ALA 40 CO 0.09 0.52 -0.15 -0.51 0.00 0.00 0.00 175.76 175.71 1k4o s ASP 41 N -0.64 4.00 0.03 0.00 -0.00 -0.36 -0.82 116.67 118.88 1k4o s ASP 41 Ca 0.10 -0.62 -0.27 0.00 -0.00 0.00 0.00 52.55 51.75 1k4o s ASP 41 Cb -0.12 -0.58 -0.05 0.00 -0.00 0.00 0.00 42.92 42.17 1k4o s ASP 41 CO 0.02 0.13 0.84 -0.76 -0.00 0.00 0.00 175.17 175.40 1k4o s LEU 42 N -2.59 4.42 -0.05 1.23 1.43 -0.23 -1.09 118.68 121.81 1k4o s LEU 42 Ca 0.22 1.52 0.01 0.00 -1.03 0.00 0.00 54.13 54.86 1k4o s LEU 42 Cb -0.09 -3.35 0.02 0.00 0.03 0.00 0.00 46.19 42.80 1k4o s LEU 42 CO 0.13 -0.08 -0.06 -0.63 0.23 0.00 0.00 176.35 175.93 1k4o s ILE 43 N 0.32 0.66 0.05 -0.59 1.01 -0.07 -2.37 121.20 120.21 1k4o s ILE 43 Ca 0.43 -0.21 -0.04 0.00 0.00 0.00 0.00 60.65 60.83 1k4o s ILE 43 Cb -0.21 -0.65 -0.02 0.00 0.01 0.00 0.00 42.46 41.59 1k4o s ILE 43 CO 0.25 0.25 0.07 -0.51 0.00 0.00 0.00 174.94 174.99 1k4o s ILE 44 N 0.79 0.16 0.19 2.92 2.07 -0.51 -0.78 121.20 126.04 1k4o s ILE 44 Ca -0.12 -1.31 -0.30 0.00 -1.41 0.00 0.00 60.65 57.51 1k4o s ILE 44 Cb -0.14 -1.12 -0.09 0.00 0.13 0.00 0.00 42.46 41.25 1k4o s ILE 44 CO 0.01 -0.72 1.29 0.00 -1.91 0.00 0.00 174.94 173.60 1k4o s ALA 45 N -3.14 3.51 0.24 1.50 0.00 -1.26 -0.47 121.76 122.13 1k4o s ALA 45 Ca -0.00 1.07 0.14 0.00 0.00 0.00 0.00 51.96 53.17 1k4o s ALA 45 Cb 0.02 -3.47 0.51 0.00 0.00 0.00 0.00 23.12 20.18 1k4o s ALA 45 CO -0.07 -0.51 1.68 0.00 0.00 0.00 0.00 175.76 176.86 1k4o h ALA 46 N 5.39 1.01 -0.86 0.00 0.00 -1.49 -3.33 119.26 119.97 1k4o h ALA 46 Ca -0.45 -0.46 0.16 0.00 0.00 0.00 0.00 54.91 54.17 1k4o h ALA 46 Cb 1.21 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.86 1k4o h ALA 46 CO 0.77 0.63 0.56 1.05 0.00 0.00 0.00 179.25 182.26 1k4o h GLU 47 N 0.00 0.52 0.00 0.00 4.11 -1.81 -2.95 114.58 114.44 1k4o h GLU 47 Ca -0.01 -0.03 -0.05 0.00 0.07 0.00 0.00 59.36 59.35 1k4o h GLU 47 Cb 0.99 -0.12 -0.10 0.00 0.50 0.00 0.00 28.75 30.02 1k4o h GLU 47 CO 0.07 0.34 -0.54 0.45 0.07 0.00 0.00 179.01 179.40 1k4o n SER 48 N -4.53 1.45 -4.71 3.06 2.88 -1.26 -4.74 113.62 105.77 1k4o n SER 48 Ca 0.17 -3.03 -0.42 0.00 -1.33 0.00 0.00 58.87 54.26 1k4o n SER 48 Cb 0.56 -0.41 -0.03 0.00 -0.75 0.00 0.00 64.21 63.57 1k4o n SER 48 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1k4o s VAL 49 N -1.95 2.18 0.49 2.46 0.11 -1.12 -4.96 120.40 117.62 1k4o s VAL 49 Ca 0.31 0.05 -0.00 0.00 -2.93 0.00 0.00 61.98 59.41 1k4o s VAL 49 Cb 0.31 -3.03 0.01 0.00 -1.53 0.00 0.00 36.38 32.13 1k4o s VAL 49 CO -0.07 0.00 0.72 0.42 -3.33 0.00 0.00 175.10 172.85 1k4o s THR 50 N 1.54 3.68 0.20 5.04 -4.23 -1.26 -4.79 115.64 115.83 1k4o s THR 50 Ca 0.76 -0.46 -0.11 0.00 -1.18 0.00 0.00 61.69 60.70 1k4o s THR 50 Cb -0.48 -3.38 0.12 0.00 1.34 0.00 0.00 72.50 70.10 1k4o s THR 50 CO 0.33 -0.28 1.82 0.74 -0.54 0.00 0.00 174.62 176.68 1k4o h THR 51 N 0.25 1.02 -0.34 3.99 2.02 -1.91 -0.30 112.91 117.65 1k4o h THR 51 Ca -0.45 -0.24 -0.11 0.00 0.77 0.00 0.00 66.41 66.38 1k4o h THR 51 Cb 1.26 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.91 1k4o h THR 51 CO 0.57 0.13 -0.23 -0.33 0.37 0.00 0.00 175.52 176.02 1k4o h GLU 52 N 0.71 0.66 -0.46 6.66 3.07 -1.94 -0.96 114.58 122.31 1k4o h GLU 52 Ca 0.27 -0.26 -0.08 0.00 -0.50 0.00 0.00 59.36 58.79 1k4o h GLU 52 Cb 0.10 -0.03 -0.02 0.00 -0.84 0.00 0.00 28.75 27.96 1k4o h GLU 52 CO -0.14 0.83 -0.03 1.96 -1.40 0.00 0.00 179.01 180.23 1k4o h GLN 53 N 0.58 0.84 -0.73 2.33 4.20 -1.85 -2.25 115.11 118.22 1k4o h GLN 53 Ca 0.08 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.48 1k4o h GLN 53 Cb 0.71 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.38 1k4o h GLN 53 CO 0.05 0.91 0.36 1.98 -0.67 0.00 0.00 178.83 181.46 1k4o h MET 54 N 0.69 1.04 -0.92 1.46 4.05 -0.69 0.28 114.93 120.83 1k4o h MET 54 Ca 0.13 -0.14 -0.01 0.00 -0.28 0.00 0.00 59.70 59.40 1k4o h MET 54 Cb 0.55 -0.20 -0.04 0.00 -0.80 0.00 0.00 31.60 31.11 1k4o h MET 54 CO 0.03 0.79 0.53 0.00 0.23 0.00 0.00 176.91 178.49 1k4o h ALA 55 N 1.36 1.20 -0.39 0.39 0.00 -1.03 0.13 119.26 120.92 1k4o h ALA 55 Ca 0.26 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1k4o h ALA 55 Cb 0.09 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1k4o h ALA 55 CO -0.03 0.66 0.09 0.35 0.00 0.00 0.00 179.25 180.32 1k4o h PHE 56 N 1.28 0.67 -0.53 0.00 3.57 -0.75 -0.90 116.94 120.27 1k4o h PHE 56 Ca 0.33 -0.08 0.03 0.00 3.53 0.00 0.00 57.97 61.77 1k4o h PHE 56 Cb -0.01 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 38.51 1k4o h PHE 56 CO 0.01 0.65 0.31 1.98 -2.23 0.00 0.00 178.31 179.03 1k4o h MET 57 N 0.49 0.61 -0.49 1.11 4.05 -0.17 -1.51 114.93 119.02 1k4o h MET 57 Ca 0.12 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.47 1k4o h MET 57 Cb 0.33 -0.14 -0.02 0.00 -0.80 0.00 0.00 31.60 30.97 1k4o h MET 57 CO 0.00 0.40 0.18 0.28 0.23 0.00 0.00 176.91 178.01 1k4o h VAL 58 N 0.62 1.22 -0.87 -5.77 2.07 -0.63 -0.90 116.25 111.99 1k4o h VAL 58 Ca 0.22 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 67.04 1k4o h VAL 58 Cb 0.03 0.75 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 1k4o h VAL 58 CO -0.10 0.26 0.53 -0.09 0.02 0.00 0.00 177.57 178.19 1k4o h ARG 59 N 0.66 1.17 -0.01 1.57 9.65 -0.69 -3.22 114.38 123.51 1k4o h ARG 59 Ca 0.16 -0.10 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 1k4o h ARG 59 Cb 0.22 -0.25 0.00 0.00 -1.39 0.00 0.00 29.97 28.55 1k4o h ARG 59 CO -0.01 0.82 -0.46 0.72 2.80 0.00 0.00 179.97 183.84 1k4o n HIS 60 N -4.42 0.00 -3.61 2.20 8.25 -0.61 -4.99 115.22 112.04 1k4o n HIS 60 Ca 0.09 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.48 1k4o n HIS 60 Cb 0.05 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.15 1k4o n HIS 60 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1k4o n SER 61 N -0.12 1.49 0.30 0.41 3.41 -0.36 -3.37 113.62 115.39 1k4o n SER 61 Ca 0.10 -1.53 0.19 0.00 -0.26 0.00 0.00 58.87 57.36 1k4o n SER 61 Cb 0.45 -0.01 0.90 0.00 -0.26 0.00 0.00 64.21 65.30 1k4o n SER 61 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1k4o h SER 62 N 0.19 0.00 0.00 4.04 4.64 -1.26 -3.43 113.55 117.72 1k4o h SER 62 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 1k4o h SER 62 Cb 0.36 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.45 1k4o h SER 62 CO 0.15 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 176.74 1k4o n GLY 63 N -0.48 1.37 3.45 -0.77 0.00 -1.26 -4.97 105.19 102.52 1k4o n GLY 63 Ca -0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.57 1k4o n GLY 63 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k4o s LEU 64 N 0.00 4.89 -0.33 0.99 1.43 -1.26 -4.98 118.68 119.43 1k4o s LEU 64 Ca 0.00 -1.74 -0.22 0.00 -1.03 0.00 0.00 54.13 51.13 1k4o s LEU 64 Cb 0.00 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.82 1k4o s LEU 64 CO 0.00 -1.16 0.74 -0.63 0.23 0.00 0.00 176.35 175.52 1k4o s ILE 65 N 3.05 4.82 0.27 -0.59 -1.09 -1.26 -4.58 121.20 121.82 1k4o s ILE 65 Ca 0.29 0.96 0.08 0.00 -2.23 0.00 0.00 60.65 59.75 1k4o s ILE 65 Cb -0.09 -4.13 -0.04 0.00 -1.58 0.00 0.00 42.46 36.63 1k4o s ILE 65 CO -0.04 -0.29 0.11 0.00 -1.23 0.00 0.00 174.94 173.49 1k4o s ALA 67 N -2.27 1.82 0.29 0.00 0.00 -0.03 -0.68 121.76 120.89 1k4o s ALA 67 Ca 0.33 -2.44 -0.30 0.00 0.00 0.00 0.00 51.96 49.56 1k4o s ALA 67 Cb -0.06 -1.79 -0.12 0.00 0.00 0.00 0.00 23.12 21.14 1k4o s ALA 67 CO 0.22 -2.07 1.57 -2.30 0.00 0.00 0.00 175.76 173.19 1k4o n PRO 68 N 3.54 2.63 -3.90 0.00 -0.02 -1.14 -1.48 135.00 134.63 1k4o n PRO 68 Ca 0.12 0.94 -0.09 0.00 -2.02 0.00 0.00 63.50 62.44 1k4o n PRO 68 Cb 0.37 -2.70 -0.06 0.00 -0.02 0.00 0.00 33.50 31.08 1k4o n PRO 68 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1k4o s LEU 69 N -0.44 0.69 0.68 2.45 2.34 0.21 -0.79 118.68 123.81 1k4o s LEU 69 Ca 0.64 -0.76 -0.11 0.00 0.06 0.00 0.00 54.13 53.96 1k4o s LEU 69 Cb -0.51 1.48 0.00 0.00 -0.56 0.00 0.00 46.19 46.60 1k4o s LEU 69 CO 0.49 -0.95 1.06 0.42 -1.06 0.00 0.00 176.35 176.32 1k4o s THR 70 N -3.94 4.00 0.33 5.48 -4.23 -1.23 -0.94 115.64 115.11 1k4o s THR 70 Ca 0.15 0.65 0.03 0.00 -1.18 0.00 0.00 61.69 61.34 1k4o s THR 70 Cb 0.02 -3.56 0.29 0.00 1.34 0.00 0.00 72.50 70.59 1k4o s THR 70 CO -0.00 -0.85 1.93 -0.65 -0.54 0.00 0.00 174.62 174.51 1k4o h PRO 71 N -0.60 0.89 -0.75 3.99 0.11 -1.94 -0.21 132.00 133.49 1k4o h PRO 71 Ca -0.45 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 65.63 1k4o h PRO 71 Cb 1.22 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 32.09 1k4o h PRO 71 CO 0.61 0.59 0.50 1.49 -0.21 0.00 0.00 178.00 180.98 1k4o h GLU 72 N 0.92 0.94 -0.05 1.05 4.22 -1.95 -1.42 114.58 118.28 1k4o h GLU 72 Ca 0.36 -0.06 -0.21 0.00 0.08 0.00 0.00 59.36 59.53 1k4o h GLU 72 Cb 0.22 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1k4o h GLU 72 CO -0.13 0.62 -0.85 0.00 -2.18 0.00 0.00 179.01 176.47 1k4o h ARG 73 N 0.96 0.48 -0.15 1.92 2.47 -1.51 -0.27 114.38 118.29 1k4o h ARG 73 Ca 0.29 -0.45 -0.05 0.00 -1.26 0.00 0.00 59.98 58.51 1k4o h ARG 73 Cb -0.02 0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.40 1k4o h ARG 73 CO -0.08 1.09 -0.14 1.79 0.56 0.00 0.00 179.97 183.20 1k4o h THR 74 N 0.30 1.18 -0.03 2.04 1.35 -0.46 0.19 112.91 117.49 1k4o h THR 74 Ca -0.06 -0.81 -0.09 0.00 -0.55 0.00 0.00 66.41 64.90 1k4o h THR 74 Cb 1.46 1.22 0.01 0.00 -1.73 0.00 0.00 68.15 69.11 1k4o h THR 74 CO 0.15 0.25 -0.32 0.74 -0.25 0.00 0.00 175.52 176.10 1k4o h THR 75 N 0.23 1.48 -0.74 6.82 2.02 -1.20 -0.06 112.91 121.45 1k4o h THR 75 Ca 0.05 -1.85 0.02 0.00 0.77 0.00 0.00 66.41 65.39 1k4o h THR 75 Cb 0.39 2.55 -0.04 0.00 -1.74 0.00 0.00 68.15 69.31 1k4o h THR 75 CO 0.02 0.52 0.49 0.00 0.37 0.00 0.00 175.52 176.93 1k4o h ALA 76 N 0.34 1.50 -0.12 6.16 0.00 -0.70 -2.41 119.26 124.04 1k4o h ALA 76 Ca -0.03 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1k4o h ALA 76 Cb 1.02 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1k4o h ALA 76 CO 0.06 0.45 0.00 1.28 0.00 0.00 0.00 179.25 181.04 1k4o n LEU 77 N -4.43 2.64 -3.40 0.00 4.77 0.02 -4.29 117.00 112.30 1k4o n LEU 77 Ca 0.09 -0.96 -0.20 0.00 -0.03 0.00 0.00 56.01 54.90 1k4o n LEU 77 Cb 0.06 -0.06 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 1k4o n LEU 77 CO 0.36 0.48 0.02 -0.67 -1.33 0.00 0.00 177.39 176.25 1k4o n ASP 78 N 1.02 -6.26 -3.97 -1.43 2.03 -0.65 -4.20 116.55 103.09 1k4o n ASP 78 Ca 0.16 -0.75 -0.31 0.00 0.52 0.00 0.00 54.79 54.41 1k4o n ASP 78 Cb 0.52 -4.44 -0.12 0.00 -0.72 0.00 0.00 41.12 36.35 1k4o n ASP 78 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1k4o s LEU 79 N -5.60 4.67 0.72 -2.67 1.43 -0.13 -5.03 118.68 112.07 1k4o s LEU 79 Ca 0.40 -3.24 -0.11 0.00 -1.03 0.00 0.00 54.13 50.14 1k4o s LEU 79 Cb -0.09 -1.69 0.02 0.00 0.03 0.00 0.00 46.19 44.46 1k4o s LEU 79 CO 0.79 -0.21 1.07 -2.16 0.23 0.00 0.00 176.35 176.07 1k4o s PRO 80 N -0.62 2.68 0.39 1.29 0.04 -1.26 -4.71 135.00 132.82 1k4o s PRO 80 Ca 0.20 1.07 -0.27 0.00 0.04 0.00 0.00 61.00 62.04 1k4o s PRO 80 Cb -0.19 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.31 1k4o s PRO 80 CO -0.05 -1.30 1.36 -0.65 0.04 0.00 0.00 177.00 176.39 1k4o s GLN 81 N -4.90 4.02 0.25 4.56 -1.52 -1.26 -1.00 119.66 119.81 1k4o s GLN 81 Ca 0.60 2.29 -0.06 0.00 -1.95 0.00 0.00 55.36 56.24 1k4o s GLN 81 Cb -0.16 -2.84 0.27 0.00 -0.22 0.00 0.00 33.01 30.07 1k4o s GLN 81 CO 0.54 -0.50 1.92 1.98 -0.25 0.00 0.00 175.29 178.98 1k4o h MET 82 N 2.81 1.31 -4.98 2.91 4.05 -1.07 -3.41 114.93 116.54 1k4o h MET 82 Ca -0.50 -0.08 -0.54 0.00 -0.28 0.00 0.00 59.70 58.31 1k4o h MET 82 Cb 1.24 -0.29 -0.32 0.00 -0.80 0.00 0.00 31.60 31.43 1k4o h MET 82 CO 0.63 0.86 -0.83 0.14 0.23 0.00 0.00 176.91 177.95 1k4o s VAL 83 N -6.11 1.29 0.24 -5.77 -7.23 -1.26 -4.96 120.40 96.59 1k4o s VAL 83 Ca -0.13 -0.61 -0.04 0.00 -1.81 0.00 0.00 61.98 59.39 1k4o s VAL 83 Cb 0.18 -1.13 0.09 0.00 0.56 0.00 0.00 36.38 36.08 1k4o s VAL 83 CO 0.82 0.38 1.71 0.71 -0.31 0.00 0.00 175.10 178.41 1k4o h THR 84 N 5.51 1.25 -2.72 5.32 1.35 -1.99 -3.36 112.91 118.27 1k4o h THR 84 Ca -0.31 -1.10 -0.61 0.00 -0.55 0.00 0.00 66.41 63.84 1k4o h THR 84 Cb 1.18 0.93 -0.41 0.00 -1.73 0.00 0.00 68.15 68.12 1k4o h THR 84 CO 0.48 0.38 -0.64 1.41 -0.25 0.00 0.00 175.52 176.90 1k4o n HIS 85 N -4.19 2.76 -1.55 4.73 8.25 -1.26 -5.10 115.22 118.86 1k4o n HIS 85 Ca 0.02 -4.13 -0.56 0.00 -0.26 0.00 0.00 57.72 52.79 1k4o n HIS 85 Cb 0.34 -0.50 -0.07 0.00 1.12 0.00 0.00 29.99 30.87 1k4o n HIS 85 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1k4o n ASN 86 N 1.72 0.75 0.20 0.41 2.85 -1.26 -4.87 115.26 115.06 1k4o n ASN 86 Ca 0.24 1.14 0.11 0.00 -0.11 0.00 0.00 54.58 55.96 1k4o n ASN 86 Cb 0.39 -1.04 0.66 0.00 1.24 0.00 0.00 39.78 41.03 1k4o n ASN 86 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1k4o h ALA 87 N 3.77 2.11 -3.08 5.20 0.00 -1.98 -3.36 119.26 121.92 1k4o h ALA 87 Ca -0.49 -0.00 -0.67 0.00 0.00 0.00 0.00 54.91 53.75 1k4o h ALA 87 Cb 1.39 0.01 -0.29 0.00 0.00 0.00 0.00 17.79 18.90 1k4o h ALA 87 CO 0.72 -0.15 -0.72 0.34 0.00 0.00 0.00 179.25 179.44 1k4o s ASP 88 N -6.85 4.41 0.43 0.00 -1.08 -1.26 -5.01 116.67 107.30 1k4o s ASP 88 Ca -0.05 -0.58 0.20 0.00 -0.52 0.00 0.00 52.55 51.60 1k4o s ASP 88 Cb 0.18 -1.73 0.95 0.00 -1.46 0.00 0.00 42.92 40.85 1k4o s ASP 88 CO 0.68 -0.08 1.87 1.55 0.52 0.00 0.00 175.17 179.72 1k4o h PRO 89 N 8.10 0.00 -0.16 4.34 0.14 -1.99 0.11 132.00 142.54 1k4o h PRO 89 Ca -0.38 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.76 1k4o h PRO 89 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.28 1k4o h PRO 89 CO 0.60 0.28 0.00 0.54 0.14 0.00 0.00 178.00 179.56 1k4o n ARG 90 N -3.71 2.35 -1.63 0.86 1.74 -1.26 -5.02 116.66 109.99 1k4o n ARG 90 Ca -0.01 -2.57 -0.34 0.00 -0.77 0.00 0.00 57.85 54.16 1k4o n ARG 90 Cb 0.39 -1.60 0.07 0.00 -1.02 0.00 0.00 32.46 30.30 1k4o n ARG 90 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1k4o s GLY 91 N -2.10 2.31 0.08 -0.13 0.00 0.03 -4.90 107.32 102.61 1k4o s GLY 91 Ca 0.33 0.75 -0.35 0.00 0.00 0.00 0.00 44.72 45.45 1k4o s GLY 91 CO 0.07 1.14 1.52 2.41 0.00 0.00 0.00 173.10 178.23 1k4o n THR 92 N -2.47 0.07 -2.14 0.90 -1.04 -1.26 -4.84 114.28 103.50 1k4o n THR 92 Ca 0.12 -0.01 -0.41 0.00 -2.04 0.00 0.00 64.05 61.71 1k4o n THR 92 Cb 0.51 -1.25 -0.00 0.00 -1.82 0.00 0.00 70.33 67.76 1k4o n THR 92 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1k4o n ALA 93 N 3.44 6.18 -1.80 2.41 0.00 -1.26 -5.00 120.51 124.48 1k4o n ALA 93 Ca 0.19 -4.18 -0.41 0.00 0.00 0.00 0.00 53.44 49.03 1k4o n ALA 93 Cb 0.24 -2.87 -0.02 0.00 0.00 0.00 0.00 19.45 16.80 1k4o n ALA 93 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1k4o s TYR 94 N -0.42 2.83 0.47 0.00 1.51 -1.26 -1.52 117.35 118.96 1k4o s TYR 94 Ca 0.48 0.89 0.02 0.00 -1.01 0.00 0.00 57.07 57.45 1k4o s TYR 94 Cb 0.14 -3.98 0.09 0.00 -0.11 0.00 0.00 41.96 38.10 1k4o s TYR 94 CO -0.05 -3.24 0.64 0.25 -1.11 0.00 0.00 175.55 172.04 1k4o n THR 95 N 2.11 0.00 -1.84 -0.71 -2.24 -0.46 -0.68 114.28 110.46 1k4o n THR 95 Ca 0.07 -1.15 -0.38 0.00 -2.27 0.00 0.00 64.05 60.32 1k4o n THR 95 Cb 0.38 -0.93 0.04 0.00 -2.10 0.00 0.00 70.33 67.73 1k4o n THR 95 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1k4o s VAL 96 N -1.86 2.20 0.67 2.28 0.11 -0.17 -4.20 120.40 119.44 1k4o s VAL 96 Ca 0.44 0.14 -0.11 0.00 -2.93 0.00 0.00 61.98 59.52 1k4o s VAL 96 Cb -0.03 -3.07 -0.01 0.00 -1.53 0.00 0.00 36.38 31.75 1k4o s VAL 96 CO 0.29 -0.01 1.05 -0.94 -3.33 0.00 0.00 175.10 172.16 1k4o s SER 97 N -1.15 5.71 0.06 3.54 1.04 -1.26 -4.50 113.70 117.14 1k4o s SER 97 Ca 0.74 1.45 -0.03 0.00 0.48 0.00 0.00 55.95 58.59 1k4o s SER 97 Cb -0.38 -2.38 -0.03 0.00 0.10 0.00 0.00 66.02 63.33 1k4o s SER 97 CO 0.43 -1.21 0.03 0.68 0.98 0.00 0.00 173.24 174.15 1k4o s VAL 98 N -3.15 0.20 0.18 5.02 -7.23 -0.32 -2.80 120.40 112.29 1k4o s VAL 98 Ca 0.57 -1.67 0.07 0.00 -1.81 0.00 0.00 61.98 59.14 1k4o s VAL 98 Cb -0.12 -1.50 -0.04 0.00 0.56 0.00 0.00 36.38 35.27 1k4o s VAL 98 CO 0.54 -0.90 -0.14 -1.81 -0.31 0.00 0.00 175.10 172.49 1k4o s ASP 99 N -2.91 2.37 0.09 4.85 1.01 -0.37 -1.53 116.67 120.18 1k4o s ASP 99 Ca 0.07 -0.98 -0.30 0.00 0.71 0.00 0.00 52.55 52.05 1k4o s ASP 99 Cb 0.07 -0.11 -0.05 0.00 1.01 0.00 0.00 42.92 43.84 1k4o s ASP 99 CO -0.10 -0.18 1.00 0.00 0.21 0.00 0.00 175.17 176.10 1k4o s ALA 100 N -2.85 3.25 -0.75 5.23 0.00 -1.26 -0.65 121.76 124.73 1k4o s ALA 100 Ca 0.19 0.62 -0.21 0.00 0.00 0.00 0.00 51.96 52.56 1k4o s ALA 100 Cb -0.01 -3.32 0.09 0.00 0.00 0.00 0.00 23.12 19.88 1k4o s ALA 100 CO 0.05 -0.14 1.03 -2.00 0.00 0.00 0.00 175.76 174.70 1k4o s GLU 101 N 0.30 3.27 -0.04 0.00 2.56 0.21 -4.77 118.70 120.23 1k4o s GLU 101 Ca 0.50 -1.12 -0.21 0.00 0.00 0.00 0.00 54.97 54.13 1k4o s GLU 101 Cb -0.24 -4.48 0.04 0.00 2.00 0.00 0.00 34.13 31.46 1k4o s GLU 101 CO 0.30 -1.82 0.47 -1.58 -0.56 0.00 0.00 175.26 172.07 1k4o s HIS 102 N 3.69 -0.39 0.57 5.30 2.46 -1.26 -4.89 115.29 120.76 1k4o s HIS 102 Ca 0.26 0.69 0.32 0.00 0.47 0.00 0.00 55.06 56.80 1k4o s HIS 102 Cb -0.13 0.22 1.86 0.00 -0.13 0.00 0.00 32.58 34.40 1k4o s HIS 102 CO 0.04 -0.46 2.24 -1.35 -2.47 0.00 0.00 174.74 172.74 1k4o h PRO 103 N 3.68 0.00 -0.00 2.88 0.11 -2.04 -2.07 132.00 134.56 1k4o h PRO 103 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1k4o h PRO 103 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1k4o h PRO 103 CO 0.38 0.02 -0.18 -1.13 -0.21 0.00 0.00 178.00 176.88 1k4o n SER 104 N -3.67 0.24 -4.77 -2.05 3.41 -1.26 -4.86 113.62 100.66 1k4o n SER 104 Ca -0.03 0.07 -0.39 0.00 -0.26 0.00 0.00 58.87 58.26 1k4o n SER 104 Cb 0.11 -0.19 -0.04 0.00 -0.26 0.00 0.00 64.21 63.84 1k4o n SER 104 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1k4o s THR 105 N -2.90 3.39 0.00 6.66 2.01 -0.78 -4.95 115.64 119.07 1k4o s THR 105 Ca 0.16 1.29 0.00 0.00 0.31 0.00 0.00 61.69 63.45 1k4o s THR 105 Cb 0.19 -3.78 0.00 0.00 0.01 0.00 0.00 72.50 68.92 1k4o s THR 105 CO 0.57 0.23 0.00 0.35 -0.69 0.00 0.00 174.62 175.08 1k4o n THR 106 N 0.71 0.00 1.10 -0.82 -2.24 -1.26 -4.93 114.28 106.84 1k4o n THR 106 Ca 0.01 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.92 1k4o n THR 106 Cb 0.46 -0.06 0.32 0.00 -2.10 0.00 0.00 70.33 68.94 1k4o n THR 106 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1k4o n THR 107 N 0.00 0.00 0.00 4.28 -2.24 -1.26 -4.95 114.28 110.11 1k4o n THR 107 Ca 0.00 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1k4o n THR 107 Cb 0.00 0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.49 1k4o n THR 107 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1k4o n GLY 108 N 1.44 2.33 0.06 3.38 0.00 -1.26 -4.91 105.19 106.23 1k4o n GLY 108 Ca 0.08 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.17 1k4o n GLY 108 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1k4o n ILE 109 N -2.00 0.52 -0.76 -0.61 0.13 -1.26 -4.02 119.36 111.37 1k4o n ILE 109 Ca 0.00 -0.59 -0.31 0.00 -1.10 0.00 0.00 62.75 60.76 1k4o n ILE 109 Cb 0.00 -0.26 0.17 0.00 -0.84 0.00 0.00 39.64 38.71 1k4o n ILE 109 CO 0.00 0.00 0.00 -0.94 2.80 0.00 0.00 176.55 178.41 1k4o s SER 110 N -5.06 2.88 0.27 9.51 1.04 -1.26 -4.64 113.70 116.44 1k4o s SER 110 Ca -0.06 2.05 -0.01 0.00 0.48 0.00 0.00 55.95 58.41 1k4o s SER 110 Cb 0.11 -2.52 0.51 0.00 0.10 0.00 0.00 66.02 64.22 1k4o s SER 110 CO 0.85 -3.11 1.81 0.00 0.98 0.00 0.00 173.24 173.78 1k4o h ALA 111 N -1.87 1.36 -0.05 5.32 0.00 -1.92 0.69 119.26 122.79 1k4o h ALA 111 Ca -0.46 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.51 1k4o h ALA 111 Cb 1.27 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 1k4o h ALA 111 CO 0.44 0.10 -0.01 1.25 0.00 0.00 0.00 179.25 181.03 1k4o h HIS 112 N 0.84 -0.03 -0.50 0.00 -0.00 -1.90 -1.17 115.15 112.38 1k4o h HIS 112 Ca 0.46 0.00 -0.10 0.00 -0.00 0.00 0.00 60.37 60.74 1k4o h HIS 112 Cb 0.51 0.02 -0.02 0.00 -0.00 0.00 0.00 27.41 27.92 1k4o h HIS 112 CO -0.04 -0.03 -0.06 -0.44 -0.00 0.00 0.00 177.93 177.36 1k4o h ASP 113 N -0.00 0.93 -0.41 3.26 3.32 -1.57 -1.23 116.42 120.72 1k4o h ASP 113 Ca 0.03 -0.34 -0.11 0.00 0.02 0.00 0.00 57.03 56.63 1k4o h ASP 113 Cb 0.04 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 1k4o h ASP 113 CO -0.06 1.05 -0.17 0.03 -1.72 0.00 0.00 179.24 178.37 1k4o h ARG 114 N 0.80 0.84 -0.68 3.56 3.08 -0.89 -1.39 114.38 119.70 1k4o h ARG 114 Ca 0.13 -0.36 0.02 0.00 0.07 0.00 0.00 59.98 59.84 1k4o h ARG 114 Cb 0.61 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.59 1k4o h ARG 114 CO 0.04 0.99 0.44 0.00 -1.07 0.00 0.00 179.97 180.38 1k4o h ALA 115 N 0.83 0.88 -0.56 0.04 0.00 -1.14 -1.79 119.26 117.52 1k4o h ALA 115 Ca 0.10 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1k4o h ALA 115 Cb 0.72 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1k4o h ALA 115 CO 0.05 0.26 0.37 1.25 0.00 0.00 0.00 179.25 181.18 1k4o h LEU 116 N 0.89 0.63 -0.74 0.00 5.85 -1.01 -0.13 115.31 120.80 1k4o h LEU 116 Ca 0.26 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.97 1k4o h LEU 116 Cb -0.06 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.78 1k4o h LEU 116 CO -0.07 0.45 0.47 0.00 -0.34 0.00 0.00 178.44 178.95 1k4o h ALA 117 N 1.21 0.94 -0.42 1.25 0.00 -0.95 0.20 119.26 121.49 1k4o h ALA 117 Ca 0.21 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1k4o h ALA 117 Cb -0.07 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.41 1k4o h ALA 117 CO -0.06 0.38 0.18 0.00 0.00 0.00 0.00 179.25 179.76 1k4o h ARG 119 N 0.53 0.89 -0.30 0.00 3.08 -0.63 -2.48 114.38 115.48 1k4o h ARG 119 Ca 0.14 -0.19 -0.13 0.00 0.07 0.00 0.00 59.98 59.88 1k4o h ARG 119 Cb 0.17 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.08 1k4o h ARG 119 CO -0.01 0.80 -0.34 0.52 -1.07 0.00 0.00 179.97 179.87 1k4o h MET 120 N 0.86 0.66 -0.57 0.04 2.86 -0.70 -1.63 114.93 116.45 1k4o h MET 120 Ca 0.19 -0.31 0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1k4o h MET 120 Cb 0.31 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.93 1k4o h MET 120 CO -0.00 0.90 0.38 -0.07 1.06 0.00 0.00 176.91 179.17 1k4o h LEU 121 N 0.55 0.65 0.00 1.22 3.38 -0.79 -2.67 115.31 117.65 1k4o h LEU 121 Ca 0.06 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1k4o h LEU 121 Cb 0.84 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1k4o h LEU 121 CO 0.07 0.47 -0.29 0.00 0.09 0.00 0.00 178.44 178.77 1k4o n ALA 122 N -2.45 2.77 -1.77 1.53 0.00 -0.94 -4.90 120.51 114.74 1k4o n ALA 122 Ca 0.05 -0.18 -0.41 0.00 0.00 0.00 0.00 53.44 52.91 1k4o n ALA 122 Cb 0.05 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.20 1k4o n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1k4o s ALA 123 N -3.07 3.47 0.45 0.00 0.00 -0.66 -4.84 121.76 117.12 1k4o s ALA 123 Ca 0.10 1.52 0.11 0.00 0.00 0.00 0.00 51.96 53.69 1k4o s ALA 123 Cb 0.15 -3.60 1.02 0.00 0.00 0.00 0.00 23.12 20.70 1k4o s ALA 123 CO 0.64 -1.07 2.09 -1.35 0.00 0.00 0.00 175.76 176.07 1k4o h PRO 124 N 2.83 0.31 -0.64 0.00 0.11 -1.92 -1.23 132.00 131.47 1k4o h PRO 124 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1k4o h PRO 124 Cb 1.25 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1k4o h PRO 124 CO 0.63 0.21 0.00 -0.40 -0.21 0.00 0.00 178.00 178.24 1k4o n ASP 125 N -4.49 4.01 -4.68 -2.05 5.75 -1.26 -4.99 116.55 108.84 1k4o n ASP 125 Ca 0.00 -2.44 -0.40 0.00 -0.01 0.00 0.00 54.79 51.95 1k4o n ASP 125 Cb 0.08 -0.54 0.02 0.00 -1.03 0.00 0.00 41.12 39.65 1k4o n ASP 125 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1k4o n ALA 126 N 0.74 0.99 -2.19 2.12 0.00 -0.47 -5.01 120.51 116.70 1k4o n ALA 126 Ca 0.20 0.20 -0.09 0.00 0.00 0.00 0.00 53.44 53.75 1k4o n ALA 126 Cb 0.78 -2.23 -0.10 0.00 0.00 0.00 0.00 19.45 17.91 1k4o n ALA 126 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1k4o s GLN 127 N -2.35 0.71 0.31 0.00 -0.21 -1.26 -4.92 119.66 111.94 1k4o s GLN 127 Ca 0.65 -1.24 0.05 0.00 0.02 0.00 0.00 55.36 54.84 1k4o s GLN 127 Cb -0.49 -0.03 0.71 0.00 1.00 0.00 0.00 33.01 34.20 1k4o s GLN 127 CO 0.55 -0.05 1.80 -1.35 -2.12 0.00 0.00 175.29 174.12 1k4o h PRO 128 N 3.16 0.79 0.00 2.91 0.11 -1.75 -0.62 132.00 136.61 1k4o h PRO 128 Ca -0.35 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1k4o h PRO 128 Cb 1.16 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.09 1k4o h PRO 128 CO 0.63 0.52 0.00 -1.13 -0.21 0.00 0.00 178.00 177.82 1k4o n SER 129 N -4.69 0.10 0.00 -2.05 3.41 -1.26 -2.11 113.62 107.01 1k4o n SER 129 Ca 0.22 0.53 0.11 0.00 -0.26 0.00 0.00 58.87 59.47 1k4o n SER 129 Cb 0.51 -0.55 0.52 0.00 -0.26 0.00 0.00 64.21 64.43 1k4o n SER 129 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1k4o n HIS 130 N -1.61 0.00 -5.07 7.33 8.25 -0.24 -4.76 115.22 119.12 1k4o n HIS 130 Ca 0.02 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.18 1k4o n HIS 130 Cb 0.11 -0.41 -0.17 0.00 1.12 0.00 0.00 29.99 30.65 1k4o n HIS 130 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1k4o s PHE 131 N -2.81 2.28 0.16 4.41 0.40 -0.90 -0.62 117.98 120.90 1k4o s PHE 131 Ca 0.16 -0.90 -0.21 0.00 -0.60 0.00 0.00 56.93 55.37 1k4o s PHE 131 Cb 0.15 -1.54 -0.08 0.00 0.51 0.00 0.00 43.02 42.06 1k4o s PHE 131 CO 0.38 -0.37 0.69 1.03 0.70 0.00 0.00 175.22 177.65 1k4o s ARG 132 N 0.38 4.34 -0.02 0.44 0.52 0.18 -4.89 118.95 119.91 1k4o s ARG 132 Ca -0.17 0.92 0.04 0.00 -0.52 0.00 0.00 55.73 56.00 1k4o s ARG 132 Cb -0.17 -3.11 -0.01 0.00 0.52 0.00 0.00 34.95 32.18 1k4o s ARG 132 CO 0.07 0.53 -0.14 1.03 0.02 0.00 0.00 175.30 176.81 1k4o s ARG 133 N -1.45 1.24 0.84 3.54 3.00 -1.26 -1.23 118.95 123.63 1k4o s ARG 133 Ca 0.36 -0.50 -0.14 0.00 0.00 0.00 0.00 55.73 55.45 1k4o s ARG 133 Cb -0.20 -1.17 0.20 0.00 0.00 0.00 0.00 34.95 33.78 1k4o s ARG 133 CO 0.22 0.27 1.05 -0.35 0.00 0.00 0.00 175.30 176.49 1k4o n PRO 134 N 2.88 -1.40 0.00 3.54 -0.04 -1.26 -5.07 135.00 133.66 1k4o n PRO 134 Ca -0.15 -1.63 0.00 0.00 -0.04 0.00 0.00 63.50 61.68 1k4o n PRO 134 Cb 0.55 -1.16 0.00 0.00 -0.04 0.00 0.00 33.50 32.84 1k4o n PRO 134 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1k4o n GLY 135 N -2.36 2.83 0.20 0.55 0.00 -1.12 -4.47 105.19 100.82 1k4o n GLY 135 Ca 0.13 -0.48 0.02 0.00 0.00 0.00 0.00 46.02 45.70 1k4o n GLY 135 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1k4o n HIS 136 N 0.00 0.05 -5.05 1.61 8.25 -0.67 -4.42 115.22 114.99 1k4o n HIS 136 Ca 0.00 -0.13 -0.31 0.00 -0.26 0.00 0.00 57.72 57.01 1k4o n HIS 136 Cb 0.00 -0.01 -0.14 0.00 1.12 0.00 0.00 29.99 30.95 1k4o n HIS 136 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1k4o s VAL 137 N -0.54 2.50 -0.52 1.59 1.01 -0.58 -4.77 120.40 119.09 1k4o s VAL 137 Ca 0.06 -1.01 -0.00 0.00 0.00 0.00 0.00 61.98 61.03 1k4o s VAL 137 Cb 0.04 -1.94 0.13 0.00 0.00 0.00 0.00 36.38 34.61 1k4o s VAL 137 CO 0.06 0.53 0.30 -0.36 0.00 0.00 0.00 175.10 175.63 1k4o s PHE 138 N -0.71 3.43 0.46 5.22 0.40 -1.00 -1.18 117.98 124.59 1k4o s PHE 138 Ca 0.11 -2.82 -0.24 0.00 -0.60 0.00 0.00 56.93 53.38 1k4o s PHE 138 Cb -0.10 -3.07 -0.07 0.00 0.51 0.00 0.00 43.02 40.29 1k4o s PHE 138 CO 0.01 -0.85 1.29 -2.14 0.70 0.00 0.00 175.22 174.22 1k4o s PRO 139 N 0.23 3.69 -0.07 0.24 0.02 -1.26 -0.85 135.00 136.99 1k4o s PRO 139 Ca 0.14 2.09 0.02 0.00 0.02 0.00 0.00 61.00 63.28 1k4o s PRO 139 Cb -0.22 -2.54 0.01 0.00 0.02 0.00 0.00 34.50 31.78 1k4o s PRO 139 CO -0.03 -0.70 -0.12 -0.51 -0.33 0.00 0.00 177.00 175.30 1k4o s LEU 140 N -2.87 1.62 -0.47 -5.54 1.43 -0.55 -1.36 118.68 110.95 1k4o s LEU 140 Ca 0.62 -0.32 -0.25 0.00 -1.03 0.00 0.00 54.13 53.15 1k4o s LEU 140 Cb -0.37 -0.87 0.03 0.00 0.03 0.00 0.00 46.19 45.01 1k4o s LEU 140 CO 0.45 0.02 0.93 -0.60 0.23 0.00 0.00 176.35 177.39 1k4o s ARG 141 N 0.78 3.52 0.52 1.70 3.52 -0.57 -0.62 118.95 127.80 1k4o s ARG 141 Ca -0.12 0.15 -0.20 0.00 -0.13 0.00 0.00 55.73 55.42 1k4o s ARG 141 Cb -0.15 -3.93 -0.06 0.00 -1.56 0.00 0.00 34.95 29.24 1k4o s ARG 141 CO 0.02 -1.24 1.15 0.00 -0.81 0.00 0.00 175.30 174.42 1k4o s ALA 142 N 3.78 2.77 0.51 6.12 0.00 -0.11 -4.60 121.76 130.23 1k4o s ALA 142 Ca 0.37 0.87 -0.19 0.00 0.00 0.00 0.00 51.96 53.01 1k4o s ALA 142 Cb -0.10 -3.37 -0.07 0.00 0.00 0.00 0.00 23.12 19.57 1k4o s ALA 142 CO 0.26 -0.76 1.04 0.14 0.00 0.00 0.00 175.76 176.44 1k4o s VAL 143 N -1.69 3.83 0.46 0.00 -7.23 -1.26 -4.15 120.40 110.36 1k4o s VAL 143 Ca 0.70 1.06 0.17 0.00 -1.81 0.00 0.00 61.98 62.10 1k4o s VAL 143 Cb -0.26 -3.44 0.35 0.00 0.56 0.00 0.00 36.38 33.59 1k4o s VAL 143 CO 0.30 -0.32 1.97 0.00 -0.31 0.00 0.00 175.10 176.74 1k4o h ALA 144 N 1.27 2.16 0.00 1.32 0.00 -1.99 -1.90 119.26 120.11 1k4o h ALA 144 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1k4o h ALA 144 Cb 1.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1k4o h ALA 144 CO 0.59 -0.31 0.00 0.41 0.00 0.00 0.00 179.25 179.94 1k4o n GLY 145 N -1.55 -1.03 7.00 0.00 0.00 -1.26 -5.01 105.19 103.33 1k4o n GLY 145 Ca 0.11 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1k4o n GLY 145 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k4o n GLY 146 N 0.80 -0.46 0.28 -0.02 0.00 -0.72 -3.49 105.19 101.58 1k4o n GLY 146 Ca 0.14 -1.07 0.12 0.00 0.00 0.00 0.00 46.02 45.21 1k4o n GLY 146 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1k4o h VAL 147 N 0.00 0.75 -0.06 1.61 -1.51 -1.79 -1.24 116.25 114.01 1k4o h VAL 147 Ca 0.00 -0.02 -0.09 0.00 -1.23 0.00 0.00 66.70 65.36 1k4o h VAL 147 Cb 0.00 1.01 -0.01 0.00 -2.13 0.00 0.00 31.29 30.16 1k4o h VAL 147 CO 0.00 0.00 -0.39 0.03 -1.23 0.00 0.00 177.57 175.99 1k4o h ARG 148 N 0.00 0.12 0.10 5.19 3.08 -1.95 -3.26 114.38 117.67 1k4o h ARG 148 Ca -0.00 -0.05 -0.30 0.00 0.07 0.00 0.00 59.98 59.70 1k4o h ARG 148 Cb 0.01 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1k4o h ARG 148 CO 0.00 0.50 -1.53 0.00 -1.07 0.00 0.00 179.97 177.87 1k4o h ALA 149 N 1.50 0.33 -2.83 0.04 0.00 -1.28 -3.45 119.26 113.56 1k4o h ALA 149 Ca 0.01 -1.14 -0.33 0.00 0.00 0.00 0.00 54.91 53.45 1k4o h ALA 149 Cb 0.73 0.29 -0.37 0.00 0.00 0.00 0.00 17.79 18.45 1k4o h ALA 149 CO 0.05 1.20 -0.65 0.50 0.00 0.00 0.00 179.25 180.35 1k4o s ARG 150 N -2.62 0.11 -0.23 0.00 3.52 -0.83 -5.02 118.95 113.88 1k4o s ARG 150 Ca -0.08 0.31 -0.04 0.00 -0.13 0.00 0.00 55.73 55.78 1k4o s ARG 150 Cb 0.07 -0.91 -0.08 0.00 -1.56 0.00 0.00 34.95 32.47 1k4o s ARG 150 CO 0.84 -0.51 3.07 0.54 -0.81 0.00 0.00 175.30 178.43 1k4o n ARG 151 N 5.32 2.13 -3.89 5.12 1.74 -1.24 -4.23 116.66 121.60 1k4o n ARG 151 Ca -0.05 -1.60 -0.22 0.00 -0.77 0.00 0.00 57.85 55.20 1k4o n ARG 151 Cb 0.50 -2.00 -0.05 0.00 -1.02 0.00 0.00 32.46 29.89 1k4o n ARG 151 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1k4o s GLY 152 N 1.14 1.99 0.45 -0.13 0.00 -1.26 -4.72 107.32 104.79 1k4o s GLY 152 Ca 0.58 -1.82 0.18 0.00 0.00 0.00 0.00 44.72 43.66 1k4o s GLY 152 CO -0.10 -1.71 1.98 0.45 0.00 0.00 0.00 173.10 173.72 1k4o h HIS 153 N 1.32 0.00 0.35 1.90 3.86 -1.96 -0.66 115.15 119.97 1k4o h HIS 153 Ca -0.43 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 58.76 1k4o h HIS 153 Cb 1.26 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.72 1k4o h HIS 153 CO 0.57 0.20 -0.20 1.15 0.86 0.00 0.00 177.93 180.52 1k4o h THR 154 N 0.00 0.59 -0.87 2.45 2.02 -1.95 -0.14 112.91 115.01 1k4o h THR 154 Ca -0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 1k4o h THR 154 Cb 0.39 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 67.36 1k4o h THR 154 CO 0.03 0.00 0.45 -0.33 0.37 0.00 0.00 175.52 176.04 1k4o h GLU 155 N -0.51 1.23 -0.99 6.66 3.07 -1.75 -2.49 114.58 119.80 1k4o h GLU 155 Ca -0.04 -0.16 0.01 0.00 -0.50 0.00 0.00 59.36 58.67 1k4o h GLU 155 Cb 0.41 -0.23 -0.05 0.00 -0.84 0.00 0.00 28.75 28.04 1k4o h GLU 155 CO 0.06 0.92 0.65 0.00 -1.40 0.00 0.00 179.01 179.24 1k4o h ALA 156 N 1.25 1.25 -0.19 3.43 0.00 -0.79 0.16 119.26 124.37 1k4o h ALA 156 Ca 0.30 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1k4o h ALA 156 Cb 0.07 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1k4o h ALA 156 CO -0.04 0.65 0.01 0.78 0.00 0.00 0.00 179.25 180.65 1k4o h GLY 157 N 1.34 0.36 1.36 0.00 0.00 -0.66 -1.05 103.07 104.41 1k4o h GLY 157 Ca 0.36 -0.25 -0.04 0.00 0.00 0.00 0.00 47.33 47.40 1k4o h GLY 157 CO -0.08 0.23 0.19 -2.08 0.00 0.00 0.00 176.54 174.81 1k4o h VAL 158 N 0.10 1.21 -0.44 4.60 2.07 -1.14 -1.71 116.25 120.94 1k4o h VAL 158 Ca 0.06 -0.69 -0.02 0.00 0.82 0.00 0.00 66.70 66.87 1k4o h VAL 158 Cb 0.35 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1k4o h VAL 158 CO 0.01 0.27 0.20 -0.08 0.02 0.00 0.00 177.57 177.99 1k4o h GLU 159 N 0.80 0.64 -0.87 1.57 4.57 -0.51 -1.60 114.58 119.17 1k4o h GLU 159 Ca 0.19 -0.10 -0.01 0.00 -1.18 0.00 0.00 59.36 58.26 1k4o h GLU 159 Cb 0.20 -0.11 -0.04 0.00 -0.16 0.00 0.00 28.75 28.64 1k4o h GLU 159 CO -0.01 0.56 0.49 -0.07 -1.18 0.00 0.00 179.01 178.79 1k4o h LEU 160 N 0.57 1.07 -0.48 1.64 3.38 -0.91 0.58 115.31 121.15 1k4o h LEU 160 Ca 0.15 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1k4o h LEU 160 Cb 0.13 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 1k4o h LEU 160 CO -0.02 0.84 0.29 0.00 0.09 0.00 0.00 178.44 179.65 1k4o h ARG 162 N 0.59 0.01 -0.26 0.00 2.43 -0.70 0.71 114.38 117.16 1k4o h ARG 162 Ca 0.19 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 1k4o h ARG 162 Cb -0.01 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 1k4o h ARG 162 CO -0.07 0.12 0.11 -0.07 -1.51 0.00 0.00 179.97 178.54 1k4o h LEU 163 N -0.09 0.32 -1.61 3.80 3.38 -0.64 -2.23 115.31 118.23 1k4o h LEU 163 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1k4o h LEU 163 Cb 0.11 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1k4o h LEU 163 CO -0.00 0.29 0.00 0.00 0.09 0.00 0.00 178.44 178.82 1k4o n ALA 164 N -2.49 2.48 -2.08 1.53 0.00 0.11 -4.95 120.51 115.10 1k4o n ALA 164 Ca 0.01 -0.70 -0.10 0.00 0.00 0.00 0.00 53.44 52.65 1k4o n ALA 164 Cb 0.12 -0.99 -0.01 0.00 0.00 0.00 0.00 19.45 18.58 1k4o n ALA 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k4o n GLY 165 N 1.29 0.10 4.02 0.00 0.00 -0.78 -4.76 105.19 105.05 1k4o n GLY 165 Ca 0.17 -0.49 -0.18 0.00 0.00 0.00 0.00 46.02 45.52 1k4o n GLY 165 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k4o s LYS 166 N -4.30 2.69 0.67 1.61 -0.14 0.17 -5.04 119.74 115.41 1k4o s LYS 166 Ca 0.00 -1.34 -0.17 0.00 -1.36 0.00 0.00 55.97 53.09 1k4o s LYS 166 Cb 0.00 -2.73 0.00 0.00 -1.68 0.00 0.00 37.83 33.42 1k4o s LYS 166 CO 0.00 -0.42 1.27 1.03 -0.76 0.00 0.00 175.35 176.47 1k4o s ARG 167 N -4.43 2.42 0.00 1.68 1.81 -1.26 -4.58 118.95 114.58 1k4o s ARG 167 Ca 0.57 1.98 -0.03 0.00 -1.72 0.00 0.00 55.73 56.52 1k4o s ARG 167 Cb -0.09 -1.84 -0.16 0.00 -0.45 0.00 0.00 34.95 32.42 1k4o s ARG 167 CO 0.35 -1.68 2.94 -0.35 -0.68 0.00 0.00 175.30 175.88 1k4o n PRO 168 N -2.15 1.58 -3.73 3.54 -0.04 -1.26 -4.73 135.00 128.21 1k4o n PRO 168 Ca 0.15 -0.58 -0.15 0.00 -0.04 0.00 0.00 63.50 62.88 1k4o n PRO 168 Cb 0.49 -1.58 -0.16 0.00 -0.04 0.00 0.00 33.50 32.21 1k4o n PRO 168 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1k4o s VAL 169 N 0.58 -0.11 0.54 0.52 1.01 -1.26 -3.51 120.40 118.17 1k4o s VAL 169 Ca 0.39 0.26 0.03 0.00 0.00 0.00 0.00 61.98 62.65 1k4o s VAL 169 Cb 0.18 -0.20 0.02 0.00 0.00 0.00 0.00 36.38 36.38 1k4o s VAL 169 CO 0.00 0.11 0.20 0.00 0.00 0.00 0.00 175.10 175.40 1k4o s ALA 170 N 1.52 4.36 -0.05 5.51 0.00 0.03 -1.47 121.76 131.66 1k4o s ALA 170 Ca -0.05 -0.62 0.02 0.00 0.00 0.00 0.00 51.96 51.30 1k4o s ALA 170 Cb -0.12 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.68 1k4o s ALA 170 CO -0.05 -0.23 -0.07 0.08 0.00 0.00 0.00 175.76 175.49 1k4o s VAL 171 N -2.85 0.73 0.04 0.00 1.01 0.38 -2.88 120.40 116.84 1k4o s VAL 171 Ca 0.16 -0.25 0.01 0.00 0.00 0.00 0.00 61.98 61.91 1k4o s VAL 171 Cb -0.01 -0.71 -0.03 0.00 0.00 0.00 0.00 36.38 35.63 1k4o s VAL 171 CO 0.10 0.26 -0.05 0.27 0.00 0.00 0.00 175.10 175.69 1k4o s ILE 172 N 0.78 0.35 -0.11 2.22 -4.36 0.14 -1.43 121.20 118.79 1k4o s ILE 172 Ca -0.12 -1.30 -0.30 0.00 -0.26 0.00 0.00 60.65 58.67 1k4o s ILE 172 Cb -0.15 -0.83 0.08 0.00 1.25 0.00 0.00 42.46 42.81 1k4o s ILE 172 CO 0.01 -0.62 0.75 -0.55 0.24 0.00 0.00 174.94 174.77 1k4o s SER 173 N -2.03 -0.62 0.28 4.36 0.15 -1.00 -1.15 113.70 113.70 1k4o s SER 173 Ca -0.05 0.79 -0.29 0.00 0.70 0.00 0.00 55.95 57.09 1k4o s SER 173 Cb -0.04 0.66 -0.09 0.00 -1.71 0.00 0.00 66.02 64.83 1k4o s SER 173 CO -0.03 -0.49 1.06 -1.61 1.20 0.00 0.00 173.24 173.37 1k4o s GLU 174 N -0.87 4.65 -0.43 5.44 8.01 -1.26 -1.07 118.70 133.16 1k4o s GLU 174 Ca -0.07 1.72 -0.25 0.00 0.01 0.00 0.00 54.97 56.38 1k4o s GLU 174 Cb -0.01 -3.16 0.02 0.00 -4.31 0.00 0.00 34.13 26.67 1k4o s GLU 174 CO 0.07 0.25 0.90 0.42 0.01 0.00 0.00 175.26 176.90 1k4o s ILE 175 N -1.21 4.54 0.53 -1.63 1.01 -0.00 -0.82 121.20 123.63 1k4o s ILE 175 Ca 0.45 0.84 -0.01 0.00 0.00 0.00 0.00 60.65 61.92 1k4o s ILE 175 Cb -0.30 -4.38 0.02 0.00 0.01 0.00 0.00 42.46 37.81 1k4o s ILE 175 CO 0.38 -0.72 0.78 0.68 0.00 0.00 0.00 174.94 176.06 1k4o s VAL 176 N 3.59 3.30 -0.41 2.92 -7.23 -1.22 -2.25 120.40 119.09 1k4o s VAL 176 Ca 0.36 -0.45 -0.11 0.00 -1.81 0.00 0.00 61.98 59.97 1k4o s VAL 176 Cb -0.11 -3.26 0.06 0.00 0.56 0.00 0.00 36.38 33.63 1k4o s VAL 176 CO 0.23 -0.20 0.27 -0.62 -0.31 0.00 0.00 175.10 174.47 1k4o s ASP 177 N -4.33 5.78 0.00 4.85 -1.08 0.19 -4.30 116.67 117.78 1k4o s ASP 177 Ca 0.54 -1.29 0.12 0.00 -0.52 0.00 0.00 52.55 51.40 1k4o s ASP 177 Cb -0.10 -2.04 0.74 0.00 -1.46 0.00 0.00 42.92 40.05 1k4o s ASP 177 CO 0.40 -0.51 1.32 -0.90 0.52 0.00 0.00 175.17 176.00 1k4o n ASP 178 N 5.00 0.00 0.00 -0.34 5.68 -1.26 -0.91 116.55 124.72 1k4o n ASP 178 Ca -0.11 -1.20 0.00 0.00 -0.50 0.00 0.00 54.79 52.98 1k4o n ASP 178 Cb 0.44 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.42 1k4o n ASP 178 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1k4o n GLY 179 N 0.43 0.07 3.59 6.12 0.00 -1.26 -4.69 105.19 109.46 1k4o n GLY 179 Ca 0.09 -0.99 -0.33 0.00 0.00 0.00 0.00 46.02 44.79 1k4o n GLY 179 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1k4o s GLN 180 N 0.00 2.62 0.62 1.61 1.11 0.35 -4.87 119.66 121.10 1k4o s GLN 180 Ca 0.00 -0.66 -0.18 0.00 0.01 0.00 0.00 55.36 54.53 1k4o s GLN 180 Cb 0.00 -2.53 -0.02 0.00 -1.01 0.00 0.00 33.01 29.44 1k4o s GLN 180 CO 0.00 0.62 1.23 -2.00 0.01 0.00 0.00 175.29 175.16 1k4o s GLU 181 N -1.21 2.79 -0.21 2.91 2.12 -1.26 -0.90 118.70 122.95 1k4o s GLU 181 Ca 0.15 1.89 -0.01 0.00 0.36 0.00 0.00 54.97 57.37 1k4o s GLU 181 Cb -0.11 -1.90 0.06 0.00 0.26 0.00 0.00 34.13 32.44 1k4o s GLU 181 CO 0.05 -1.36 -0.03 0.08 -0.54 0.00 0.00 175.26 173.47 1k4o s VAL 182 N -1.57 1.16 0.06 3.70 1.01 -1.25 -4.80 120.40 118.70 1k4o s VAL 182 Ca 0.79 -0.92 -0.35 0.00 0.00 0.00 0.00 61.98 61.49 1k4o s VAL 182 Cb -0.32 -1.48 -0.15 0.00 0.00 0.00 0.00 36.38 34.43 1k4o s VAL 182 CO 0.36 -0.09 1.55 1.21 0.00 0.00 0.00 175.10 178.13 1k4o n GLU 183 N 4.82 1.73 -0.92 2.72 4.07 -1.26 -1.76 120.64 130.04 1k4o n GLU 183 Ca -0.11 0.63 0.00 0.00 -0.06 0.00 0.00 57.16 57.62 1k4o n GLU 183 Cb 0.46 -2.36 0.00 0.00 -0.06 0.00 0.00 31.44 29.48 1k4o n GLU 183 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1k4o n GLY 184 N 3.31 0.32 3.16 8.31 0.00 -1.26 -4.99 105.19 114.04 1k4o n GLY 184 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 1k4o n GLY 184 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1k4o s ARG 185 N -0.85 1.36 -1.43 1.61 1.81 -0.72 -5.04 118.95 115.67 1k4o s ARG 185 Ca 0.00 -0.61 -0.08 0.00 -1.72 0.00 0.00 55.73 53.32 1k4o s ARG 185 Cb 0.00 -1.31 0.05 0.00 -0.45 0.00 0.00 34.95 33.23 1k4o s ARG 185 CO 0.00 0.36 2.55 0.00 -0.68 0.00 0.00 175.30 177.53 1k4o n ALA 186 N 2.63 6.93 -2.70 2.13 0.00 -1.26 -4.56 120.51 123.68 1k4o n ALA 186 Ca -0.15 -3.90 -0.09 0.00 0.00 0.00 0.00 53.44 49.30 1k4o n ALA 186 Cb 0.54 -3.03 -0.07 0.00 0.00 0.00 0.00 19.45 16.89 1k4o n ALA 186 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1k4o s VAL 187 N 0.31 0.12 -0.06 0.00 -7.23 -1.26 -5.16 120.40 107.12 1k4o s VAL 187 Ca 0.58 -0.99 0.03 0.00 -1.81 0.00 0.00 61.98 59.79 1k4o s VAL 187 Cb 0.17 -1.23 0.01 0.00 0.56 0.00 0.00 36.38 35.89 1k4o s VAL 187 CO -0.08 -0.55 -0.14 -0.13 -0.31 0.00 0.00 175.10 173.90 1k4o s ARG 188 N -3.62 1.76 0.27 4.82 1.81 -1.26 -3.96 118.95 118.76 1k4o s ARG 188 Ca 0.03 -0.47 -0.20 0.00 -1.72 0.00 0.00 55.73 53.37 1k4o s ARG 188 Cb 0.03 -1.46 -0.09 0.00 -0.45 0.00 0.00 34.95 32.99 1k4o s ARG 188 CO -0.10 0.08 0.77 0.00 -0.68 0.00 0.00 175.30 175.37 1k4o s ALA 189 N 0.52 3.35 -1.35 2.13 0.00 -0.07 -4.33 121.76 122.00 1k4o s ALA 189 Ca -0.13 0.22 -0.03 0.00 0.00 0.00 0.00 51.96 52.02 1k4o s ALA 189 Cb -0.15 -2.89 -0.00 0.00 0.00 0.00 0.00 23.12 20.08 1k4o s ALA 189 CO 0.04 0.29 0.52 0.00 0.00 0.00 0.00 175.76 176.61 1k4o n ALA 190 N 0.45 -2.08 -1.71 0.00 0.00 -1.26 -0.50 120.51 115.42 1k4o n ALA 190 Ca -0.00 -0.25 -0.29 0.00 0.00 0.00 0.00 53.44 52.90 1k4o n ALA 190 Cb 0.51 -1.87 0.13 0.00 0.00 0.00 0.00 19.45 18.23 1k4o n ALA 190 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1k4o s PRO 191 N -6.37 1.23 0.00 0.00 0.04 -1.26 -4.22 135.00 124.43 1k4o s PRO 191 Ca 0.06 0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.19 1k4o s PRO 191 Cb -0.02 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1k4o s PRO 191 CO 0.87 -2.09 0.00 0.41 0.04 0.00 0.00 177.00 176.23 1k4o n GLY 192 N -2.80 1.00 3.45 0.56 0.00 -0.09 -4.88 105.19 102.42 1k4o n GLY 192 Ca 0.09 -0.21 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 1k4o n GLY 192 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1k4o s MET 193 N 2.41 2.03 0.18 1.61 -1.94 -1.26 -0.64 119.30 121.69 1k4o s MET 193 Ca 0.00 -1.01 -0.30 0.00 -1.71 0.00 0.00 55.69 52.67 1k4o s MET 193 Cb 0.00 -2.17 -0.08 0.00 2.01 0.00 0.00 34.83 34.59 1k4o s MET 193 CO 0.00 0.53 1.08 -1.17 -0.01 0.00 0.00 175.02 175.45 1k4o s LEU 194 N -1.49 4.50 0.14 -0.03 2.96 -0.96 -4.49 118.68 119.31 1k4o s LEU 194 Ca 0.15 2.06 0.06 0.00 -0.22 0.00 0.00 54.13 56.18 1k4o s LEU 194 Cb -0.10 -3.60 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 1k4o s LEU 194 CO 0.05 -0.19 -0.14 -0.13 -1.32 0.00 0.00 176.35 174.63 1k4o s ARG 195 N -0.40 1.10 0.00 1.98 1.81 -1.26 -4.25 118.95 117.93 1k4o s ARG 195 Ca 0.49 -1.34 0.00 0.00 -1.72 0.00 0.00 55.73 53.16 1k4o s ARG 195 Cb -0.29 -0.95 0.00 0.00 -0.45 0.00 0.00 34.95 33.26 1k4o s ARG 195 CO 0.34 0.17 0.00 0.41 -0.68 0.00 0.00 175.30 175.55 1k4o n GLY 196 N 0.28 1.25 0.34 -3.53 0.00 -1.26 -0.48 105.19 101.78 1k4o n GLY 196 Ca -0.13 0.34 0.16 0.00 0.00 0.00 0.00 46.02 46.38 1k4o n GLY 196 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1k4o h ASP 197 N 0.00 0.01 0.40 1.61 3.32 -1.99 0.93 116.42 120.69 1k4o h ASP 197 Ca 0.00 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 1k4o h ASP 197 Cb 0.00 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 1k4o h ASP 197 CO 0.00 0.01 -0.41 1.05 -1.72 0.00 0.00 179.24 178.16 1k4o h GLU 198 N 0.01 0.01 -0.38 3.56 4.11 -1.18 -0.64 114.58 120.08 1k4o h GLU 198 Ca 0.16 -0.01 -0.16 0.00 0.07 0.00 0.00 59.36 59.43 1k4o h GLU 198 Cb 0.64 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1k4o h GLU 198 CO -0.00 0.42 -0.38 0.00 0.07 0.00 0.00 179.01 179.13 1k4o h VAL 200 N 0.73 1.23 -0.83 0.00 2.07 -1.11 -1.26 116.25 117.08 1k4o h VAL 200 Ca 0.06 -0.71 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 1k4o h VAL 200 Cb 0.97 0.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.33 1k4o h VAL 200 CO 0.09 0.27 0.44 0.00 0.02 0.00 0.00 177.57 178.39 1k4o h ALA 201 N 1.07 1.20 -0.18 1.67 0.00 -0.87 -0.82 119.26 121.32 1k4o h ALA 201 Ca 0.19 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1k4o h ALA 201 Cb 0.21 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1k4o h ALA 201 CO -0.01 0.63 0.12 0.35 0.00 0.00 0.00 179.25 180.33 1k4o h PHE 202 N 1.17 0.23 -0.36 0.00 3.57 -0.74 -1.01 116.94 119.81 1k4o h PHE 202 Ca 0.29 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.83 1k4o h PHE 202 Cb 0.06 -0.08 -0.04 0.00 2.79 0.00 0.00 35.95 38.68 1k4o h PHE 202 CO 0.01 0.16 0.14 0.00 -2.23 0.00 0.00 178.31 176.39 1k4o h ALA 203 N 1.06 0.43 -0.80 2.41 0.00 -0.58 -2.46 119.26 119.30 1k4o h ALA 203 Ca 0.07 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1k4o h ALA 203 Cb -0.01 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1k4o h ALA 203 CO -0.01 -0.25 0.47 0.00 0.00 0.00 0.00 179.25 179.46 1k4o h ARG 204 N 0.30 1.10 -0.55 0.00 2.47 -0.93 -0.37 114.38 116.42 1k4o h ARG 204 Ca 0.16 -0.11 0.05 0.00 -1.26 0.00 0.00 59.98 58.82 1k4o h ARG 204 Cb 0.12 -0.23 -0.03 0.00 -1.65 0.00 0.00 29.97 28.18 1k4o h ARG 204 CO -0.15 0.79 0.36 -0.09 0.56 0.00 0.00 179.97 181.44 1k4o h ARG 205 N 1.11 0.54 -0.62 0.04 2.43 -0.82 -2.79 114.38 114.27 1k4o h ARG 205 Ca 0.29 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1k4o h ARG 205 Cb -0.01 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.41 1k4o h ARG 205 CO -0.05 0.36 0.00 0.91 -1.51 0.00 0.00 179.97 179.67 1k4o n TRP 206 N -4.47 0.83 -2.17 2.20 7.02 -0.87 -4.97 117.44 115.01 1k4o n TRP 206 Ca 0.07 -0.47 -0.11 0.00 -1.02 0.00 0.00 57.50 55.97 1k4o n TRP 206 Cb 0.20 -0.01 -0.01 0.00 -2.42 0.00 0.00 31.31 29.08 1k4o n TRP 206 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1k4o n GLY 207 N 1.43 -0.03 3.74 6.99 0.00 -0.61 -5.02 105.19 111.69 1k4o n GLY 207 Ca 0.22 -0.43 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 1k4o n GLY 207 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1k4o s LEU 208 N -3.12 3.57 0.42 0.99 1.43 -0.25 -5.03 118.68 116.69 1k4o s LEU 208 Ca 0.00 -0.29 -0.13 0.00 -1.03 0.00 0.00 54.13 52.68 1k4o s LEU 208 Cb 0.00 -2.17 -0.07 0.00 0.03 0.00 0.00 46.19 43.97 1k4o s LEU 208 CO 0.00 0.05 0.82 -0.54 0.23 0.00 0.00 176.35 176.91 1k4o s LYS 209 N -3.21 3.85 -0.00 1.70 -0.14 -1.26 -4.35 119.74 116.33 1k4o s LYS 209 Ca 0.30 0.62 0.00 0.00 -1.36 0.00 0.00 55.97 55.53 1k4o s LYS 209 Cb -0.09 -2.33 0.00 0.00 -1.68 0.00 0.00 37.83 33.73 1k4o s LYS 209 CO 0.22 -0.07 -0.01 0.54 -0.76 0.00 0.00 175.35 175.27 1k4o s VAL 210 N -2.38 0.06 0.38 3.17 0.11 -1.26 -1.11 120.40 119.36 1k4o s VAL 210 Ca 0.54 -0.02 -0.08 0.00 -2.93 0.00 0.00 61.98 59.49 1k4o s VAL 210 Cb -0.10 -0.07 0.03 0.00 -1.53 0.00 0.00 36.38 34.72 1k4o s VAL 210 CO 0.29 0.02 0.65 0.00 -3.33 0.00 0.00 175.10 172.74 1k4o s THR 212 N -2.49 3.33 0.38 0.00 -4.23 -1.26 -1.20 115.64 110.17 1k4o s THR 212 Ca 0.23 -1.30 0.07 0.00 -1.18 0.00 0.00 61.69 59.51 1k4o s THR 212 Cb -0.03 -2.56 0.21 0.00 1.34 0.00 0.00 72.50 71.46 1k4o s THR 212 CO 0.17 0.10 1.97 0.40 -0.54 0.00 0.00 174.62 176.72 1k4o h ILE 213 N 3.24 1.15 -0.56 2.99 2.04 -1.42 -1.17 117.51 123.77 1k4o h ILE 213 Ca -0.49 -0.49 0.04 0.00 1.00 0.00 0.00 64.86 64.91 1k4o h ILE 213 Cb 1.17 0.80 -0.04 0.00 -0.74 0.00 0.00 36.82 38.01 1k4o h ILE 213 CO 0.52 0.18 0.32 -0.08 0.00 0.00 0.00 178.15 179.09 1k4o h GLU 214 N 0.46 0.60 -0.18 2.37 4.81 -1.94 0.12 114.58 120.82 1k4o h GLU 214 Ca 0.11 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.21 1k4o h GLU 214 Cb 0.15 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 1k4o h GLU 214 CO -0.01 0.40 -0.31 -0.44 -0.73 0.00 0.00 179.01 177.92 1k4o h ASP 215 N 0.62 0.37 -0.74 1.04 3.32 -1.77 -1.55 116.42 117.72 1k4o h ASP 215 Ca 0.23 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 1k4o h ASP 215 Cb 0.08 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 1k4o h ASP 215 CO -0.13 0.67 0.31 -0.03 -1.72 0.00 0.00 179.24 178.34 1k4o h MET 216 N 0.32 1.10 -0.48 3.56 4.05 -0.20 -0.86 114.93 122.42 1k4o h MET 216 Ca 0.04 -0.19 -0.02 0.00 -0.28 0.00 0.00 59.70 59.25 1k4o h MET 216 Cb 0.71 -0.18 -0.02 0.00 -0.80 0.00 0.00 31.60 31.31 1k4o h MET 216 CO 0.05 0.89 0.21 0.82 0.23 0.00 0.00 176.91 179.11 1k4o h ILE 217 N 1.06 1.20 -0.95 1.77 2.04 -0.54 -1.59 117.51 120.50 1k4o h ILE 217 Ca 0.25 -0.60 0.06 0.00 1.00 0.00 0.00 64.86 65.57 1k4o h ILE 217 Cb 0.19 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 36.92 1k4o h ILE 217 CO -0.02 0.23 0.61 0.00 0.00 0.00 0.00 178.15 178.97 1k4o h ALA 218 N 1.05 1.46 0.21 1.87 0.00 -0.91 0.40 119.26 123.34 1k4o h ALA 218 Ca 0.16 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1k4o h ALA 218 Cb 0.16 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1k4o h ALA 218 CO -0.02 0.40 -0.10 1.25 0.00 0.00 0.00 179.25 180.78 1k4o h HIS 219 N 1.10 -0.26 -0.93 0.00 -0.00 -0.70 -2.91 115.15 111.45 1k4o h HIS 219 Ca 0.41 -0.01 0.02 0.00 -0.00 0.00 0.00 60.37 60.79 1k4o h HIS 219 Cb 0.18 0.09 -0.05 0.00 -0.00 0.00 0.00 27.41 27.62 1k4o h HIS 219 CO -0.00 -0.09 0.61 0.28 -0.00 0.00 0.00 177.93 178.74 1k4o h VAL 220 N -0.38 1.21 -0.04 5.26 2.07 -0.85 -1.65 116.25 121.87 1k4o h VAL 220 Ca -0.03 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.08 1k4o h VAL 220 Cb 0.29 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 29.94 1k4o h VAL 220 CO 0.05 0.22 0.04 -0.33 0.02 0.00 0.00 177.57 177.57 1k4o h GLU 221 N 1.22 0.00 -0.12 1.57 5.08 -0.76 0.58 114.58 122.15 1k4o h GLU 221 Ca 0.35 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.70 1k4o h GLU 221 Cb -0.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 1k4o h GLU 221 CO -0.09 0.00 0.04 0.87 -1.00 0.00 0.00 179.01 178.83 1k4o h LYS 222 N 0.00 0.16 0.03 2.33 1.57 -1.11 0.23 116.57 119.78 1k4o h LYS 222 Ca 0.02 -0.01 -0.39 0.00 -1.87 0.00 0.00 60.65 58.40 1k4o h LYS 222 Cb 0.11 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.32 1k4o h LYS 222 CO -0.00 0.15 -2.37 2.41 -0.57 0.00 0.00 179.45 179.06 1k4o n THR 223 N -4.48 1.55 1.01 -0.16 -1.04 -0.59 -4.68 114.28 105.89 1k4o n THR 223 Ca -0.01 -0.57 0.11 0.00 -2.04 0.00 0.00 64.05 61.53 1k4o n THR 223 Cb 0.11 -1.51 -0.03 0.00 -1.82 0.00 0.00 70.33 67.08 1k4o n THR 223 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1k4o n GLU 224 N -3.36 0.27 -0.43 -2.82 -0.58 0.09 -5.10 120.64 108.72 1k4o n GLU 224 Ca -0.43 -0.22 0.06 0.00 -0.42 0.00 0.00 57.16 56.15 1k4o n GLU 224 Cb 0.99 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 30.35 1k4o n GLU 224 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1k4o n GLY 225 N 1.48 -1.95 3.77 0.62 0.00 0.80 -4.82 105.19 105.09 1k4o n GLY 225 Ca 0.06 -1.40 -0.39 0.00 0.00 0.00 0.00 46.02 44.29 1k4o n GLY 225 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k4o s LYS 226 N -2.07 4.39 0.00 1.61 1.02 -1.26 -4.51 119.74 118.92 1k4o s LYS 226 Ca 0.00 1.78 0.15 0.00 0.02 0.00 0.00 55.97 57.92 1k4o s LYS 226 Cb 0.00 -2.93 0.92 0.00 -0.52 0.00 0.00 37.83 35.29 1k4o s LYS 226 CO 0.00 -0.00 1.33 -0.11 -0.92 0.00 0.00 175.35 175.65