#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ek4 s LYS 2 N 0.00 3.28 0.14 2.12 3.01 -1.26 -5.02 119.74 122.01 1ek4 s LYS 2 Ca 0.00 1.90 -0.06 0.00 -1.01 0.00 0.00 55.97 56.80 1ek4 s LYS 2 Cb 0.00 -2.16 -0.06 0.00 -1.01 0.00 0.00 37.83 34.60 1ek4 s LYS 2 CO 0.00 -0.98 0.39 1.03 0.51 0.00 0.00 175.35 176.31 1ek4 s ARG 3 N -3.02 3.66 -0.05 1.68 0.52 -1.26 -4.69 118.95 115.79 1ek4 s ARG 3 Ca 0.71 -0.01 0.05 0.00 -0.52 0.00 0.00 55.73 55.97 1ek4 s ARG 3 Cb -0.32 -2.86 -0.00 0.00 0.52 0.00 0.00 34.95 32.28 1ek4 s ARG 3 CO 0.37 0.47 -0.20 0.08 0.02 0.00 0.00 175.30 176.05 1ek4 s VAL 4 N -1.62 1.64 0.24 3.52 1.01 -1.26 -0.98 120.40 122.95 1ek4 s VAL 4 Ca 0.40 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.59 1ek4 s VAL 4 Cb -0.12 -1.41 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 1ek4 s VAL 4 CO 0.23 0.47 -0.01 0.68 0.00 0.00 0.00 175.10 176.47 1ek4 s VAL 5 N 0.01 1.11 -0.24 2.92 -7.23 0.13 -0.96 120.40 116.14 1ek4 s VAL 5 Ca -0.05 -2.04 -0.06 0.00 -1.81 0.00 0.00 61.98 58.02 1ek4 s VAL 5 Cb -0.13 -2.38 -0.02 0.00 0.56 0.00 0.00 36.38 34.41 1ek4 s VAL 5 CO 0.03 -0.30 0.02 -0.63 -0.31 0.00 0.00 175.10 173.91 1ek4 s ILE 6 N -3.37 3.94 -0.69 -0.62 1.01 -0.36 -0.52 121.20 120.59 1ek4 s ILE 6 Ca 0.29 -0.30 0.08 0.00 0.00 0.00 0.00 60.65 60.72 1ek4 s ILE 6 Cb 0.06 -2.82 0.21 0.00 0.01 0.00 0.00 42.46 39.92 1ek4 s ILE 6 CO 0.09 0.38 1.16 0.35 0.00 0.00 0.00 174.94 176.92 1ek4 n THR 7 N 4.83 0.94 -3.62 2.92 -2.24 -0.60 -1.73 114.28 114.78 1ek4 n THR 7 Ca -0.17 -0.97 -0.04 0.00 -2.27 0.00 0.00 64.05 60.60 1ek4 n THR 7 Cb 0.51 0.54 -0.04 0.00 -2.10 0.00 0.00 70.33 69.25 1ek4 n THR 7 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1ek4 s GLY 8 N -0.98 -0.06 0.08 3.38 0.00 -1.26 -3.94 107.32 104.54 1ek4 s GLY 8 Ca 0.16 2.39 -0.11 0.00 0.00 0.00 0.00 44.72 47.16 1ek4 s GLY 8 CO 0.11 0.94 0.26 0.48 0.00 0.00 0.00 173.10 174.90 1ek4 s LEU 9 N -1.34 1.09 -0.05 0.66 0.05 -1.26 -0.79 118.68 117.04 1ek4 s LEU 9 Ca 0.08 -0.45 -0.14 0.00 0.05 0.00 0.00 54.13 53.67 1ek4 s LEU 9 Cb -0.01 1.26 0.03 0.00 -2.05 0.00 0.00 46.19 45.42 1ek4 s LEU 9 CO -0.05 -0.71 0.32 -0.83 -0.55 0.00 0.00 176.35 174.52 1ek4 s GLY 10 N -2.59 -0.18 -0.19 -3.48 0.00 0.04 -3.27 107.32 97.65 1ek4 s GLY 10 Ca 0.01 0.52 -0.27 0.00 0.00 0.00 0.00 44.72 44.98 1ek4 s GLY 10 CO -0.09 0.33 0.70 -1.50 0.00 0.00 0.00 173.10 172.54 1ek4 s ILE 11 N -0.86 0.00 -0.22 0.90 2.07 -1.26 -1.41 121.20 120.42 1ek4 s ILE 11 Ca -0.09 -0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.12 1ek4 s ILE 11 Cb -0.04 -0.99 0.07 0.00 0.13 0.00 0.00 42.46 41.63 1ek4 s ILE 11 CO 0.03 -0.00 0.05 -0.69 -1.91 0.00 0.00 174.94 172.42 1ek4 s VAL 12 N -0.16 0.56 0.36 4.00 1.01 -0.90 -2.92 120.40 122.36 1ek4 s VAL 12 Ca -0.04 -0.70 0.06 0.00 0.00 0.00 0.00 61.98 61.31 1ek4 s VAL 12 Cb -0.03 -1.13 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 1ek4 s VAL 12 CO 0.04 -0.30 0.23 -1.54 0.00 0.00 0.00 175.10 173.53 1ek4 n SER 13 N 5.02 -0.00 0.28 3.32 3.41 0.27 -0.84 113.62 125.09 1ek4 n SER 13 Ca -0.08 -3.17 0.17 0.00 -0.26 0.00 0.00 58.87 55.53 1ek4 n SER 13 Cb 0.46 1.43 0.80 0.00 -0.26 0.00 0.00 64.21 66.64 1ek4 n SER 13 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1ek4 h SER 14 N 1.88 0.00 -0.32 4.04 4.64 -1.76 -2.82 113.55 119.21 1ek4 h SER 14 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1ek4 h SER 14 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1ek4 h SER 14 CO 0.40 0.06 0.00 2.30 -0.87 0.00 0.00 176.83 178.72 1ek4 n ILE 15 N -3.28 2.14 0.00 0.95 -5.35 -1.26 -4.49 119.36 108.07 1ek4 n ILE 15 Ca -0.01 -1.69 0.00 0.00 -0.27 0.00 0.00 62.75 60.78 1ek4 n ILE 15 Cb 0.24 -0.14 0.00 0.00 -1.74 0.00 0.00 39.64 38.01 1ek4 n ILE 15 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1ek4 n GLY 16 N -0.19 3.43 1.29 3.28 0.00 -1.07 -3.94 105.19 107.99 1ek4 n GLY 16 Ca 0.21 -0.44 0.12 0.00 0.00 0.00 0.00 46.02 45.91 1ek4 n GLY 16 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ek4 n ASN 17 N 0.00 3.77 -3.59 1.61 3.02 -1.26 -0.56 115.26 118.25 1ek4 n ASN 17 Ca 0.00 -2.00 -0.03 0.00 -0.03 0.00 0.00 54.58 52.52 1ek4 n ASN 17 Cb 0.00 -0.43 -0.00 0.00 -0.61 0.00 0.00 39.78 38.74 1ek4 n ASN 17 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1ek4 s ASN 18 N -1.12 -0.10 0.41 6.41 6.03 -1.15 -4.63 114.94 120.78 1ek4 s ASN 18 Ca 0.46 -0.51 0.13 0.00 -1.03 0.00 0.00 52.86 51.91 1ek4 s ASN 18 Cb 0.25 0.49 0.85 0.00 -3.03 0.00 0.00 41.25 39.80 1ek4 s ASN 18 CO 0.33 -0.93 1.91 0.06 -2.03 0.00 0.00 177.10 176.44 1ek4 h GLN 19 N 2.00 0.05 -0.22 3.55 3.07 -1.93 -1.62 115.11 120.01 1ek4 h GLN 19 Ca -0.26 -0.01 -0.06 0.00 0.09 0.00 0.00 58.65 58.41 1ek4 h GLN 19 Cb 1.23 -0.01 -0.01 0.00 0.08 0.00 0.00 27.48 28.77 1ek4 h GLN 19 CO 0.29 0.30 -0.10 1.96 0.09 0.00 0.00 178.83 181.37 1ek4 h GLN 20 N 0.05 0.45 -0.56 0.06 7.50 -1.98 0.33 115.11 120.97 1ek4 h GLN 20 Ca 0.01 -0.20 -0.08 0.00 0.50 0.00 0.00 58.65 58.88 1ek4 h GLN 20 Cb 0.46 -0.01 -0.02 0.00 0.05 0.00 0.00 27.48 27.95 1ek4 h GLN 20 CO 0.03 0.73 0.03 0.93 -1.50 0.00 0.00 178.83 179.05 1ek4 h GLU 21 N 0.16 0.93 -0.60 1.46 5.08 -1.88 -2.28 114.58 117.46 1ek4 h GLU 21 Ca 0.05 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.10 1ek4 h GLU 21 Cb 0.59 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 1ek4 h GLU 21 CO 0.03 0.91 0.18 0.28 -1.00 0.00 0.00 179.01 179.41 1ek4 h VAL 22 N 0.87 1.24 -0.61 3.13 2.07 -1.18 -2.24 116.25 119.53 1ek4 h VAL 22 Ca 0.17 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.85 1ek4 h VAL 22 Cb 0.47 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1ek4 h VAL 22 CO 0.02 0.32 0.40 0.25 0.02 0.00 0.00 177.57 178.58 1ek4 h LEU 23 N 0.85 0.71 -0.27 2.57 5.85 -0.64 -0.97 115.31 123.41 1ek4 h LEU 23 Ca 0.19 -0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1ek4 h LEU 23 Cb 0.30 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1ek4 h LEU 23 CO -0.00 0.52 0.17 0.00 -0.34 0.00 0.00 178.44 178.79 1ek4 h ALA 24 N 1.22 0.34 -0.51 1.25 0.00 -1.23 -2.16 119.26 118.18 1ek4 h ALA 24 Ca 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1ek4 h ALA 24 Cb -0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1ek4 h ALA 24 CO -0.05 -0.18 0.32 0.77 0.00 0.00 0.00 179.25 180.12 1ek4 h SER 25 N 0.36 0.60 -0.91 0.00 0.02 -1.07 -1.60 113.55 110.95 1ek4 h SER 25 Ca 0.10 -0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1ek4 h SER 25 Cb -0.03 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.32 1ek4 h SER 25 CO -0.02 0.46 0.56 -0.07 -1.14 0.00 0.00 176.83 176.62 1ek4 h LEU 26 N 0.69 1.09 -0.48 5.07 3.38 -0.99 0.17 115.31 124.24 1ek4 h LEU 26 Ca 0.18 -0.06 -0.16 0.00 0.09 0.00 0.00 57.88 57.93 1ek4 h LEU 26 Cb -0.04 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.43 1ek4 h LEU 26 CO -0.04 0.83 -0.51 0.03 0.09 0.00 0.00 178.44 178.84 1ek4 h ARG 27 N 1.26 0.66 0.00 1.13 3.08 -1.19 -3.14 114.38 116.17 1ek4 h ARG 27 Ca 0.33 -0.40 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1ek4 h ARG 27 Cb -0.07 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1ek4 h ARG 27 CO -0.06 1.01 0.00 0.93 -1.07 0.00 0.00 179.97 180.78 1ek4 h GLU 28 N 0.51 0.00 -1.27 0.04 5.08 -0.95 -3.44 114.58 114.56 1ek4 h GLU 28 Ca 0.02 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.27 1ek4 h GLU 28 Cb 1.07 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.33 1ek4 h GLU 28 CO 0.10 0.00 -0.15 0.41 -1.00 0.00 0.00 179.01 178.37 1ek4 n GLY 29 N 1.08 0.28 3.73 -3.84 0.00 0.52 -5.00 105.19 101.97 1ek4 n GLY 29 Ca 0.04 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 1ek4 n GLY 29 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1ek4 s ARG 30 N -4.63 4.60 0.38 1.61 3.52 -0.67 -5.00 118.95 118.75 1ek4 s ARG 30 Ca 0.05 1.31 -0.23 0.00 -0.13 0.00 0.00 55.73 56.72 1ek4 s ARG 30 Cb -0.02 -3.40 -0.10 0.00 -1.56 0.00 0.00 34.95 29.86 1ek4 s ARG 30 CO 0.06 0.15 0.94 0.45 -0.81 0.00 0.00 175.30 176.10 1ek4 s SER 31 N 0.29 7.12 -0.02 -2.12 0.15 -1.26 -4.79 113.70 113.07 1ek4 s SER 31 Ca 0.45 1.75 0.10 0.00 0.70 0.00 0.00 55.95 58.95 1ek4 s SER 31 Cb -0.22 -2.55 0.28 0.00 -1.71 0.00 0.00 66.02 61.82 1ek4 s SER 31 CO 0.27 -0.21 1.23 0.61 1.20 0.00 0.00 173.24 176.33 1ek4 n GLY 32 N -0.06 2.98 3.73 9.45 0.00 0.10 -4.96 105.19 116.43 1ek4 n GLY 32 Ca 0.04 -0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.27 1ek4 n GLY 32 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ek4 s ILE 33 N -1.23 5.00 0.28 -0.61 -1.09 -1.26 -4.03 121.20 118.25 1ek4 s ILE 33 Ca 0.22 1.39 0.02 0.00 -2.23 0.00 0.00 60.65 60.05 1ek4 s ILE 33 Cb 0.13 -4.01 -0.06 0.00 -1.58 0.00 0.00 42.46 36.94 1ek4 s ILE 33 CO 0.12 0.30 0.07 0.42 -1.23 0.00 0.00 174.94 174.62 1ek4 s THR 34 N 0.51 0.81 0.23 2.92 -4.23 -0.61 -4.18 115.64 111.09 1ek4 s THR 34 Ca 0.36 -2.00 -0.30 0.00 -1.18 0.00 0.00 61.69 58.56 1ek4 s THR 34 Cb -0.18 -2.65 -0.09 0.00 1.34 0.00 0.00 72.50 70.92 1ek4 s THR 34 CO 0.18 -0.04 0.96 0.12 -0.54 0.00 0.00 174.62 175.29 1ek4 s PHE 35 N -3.57 3.94 -0.26 3.99 5.36 -1.26 -1.83 117.98 124.34 1ek4 s PHE 35 Ca 0.36 1.89 0.01 0.00 -0.96 0.00 0.00 56.93 58.23 1ek4 s PHE 35 Cb 0.08 -3.01 0.05 0.00 -0.34 0.00 0.00 43.02 39.80 1ek4 s PHE 35 CO 0.14 0.34 -0.09 0.45 -1.46 0.00 0.00 175.22 174.60 1ek4 s SER 36 N -1.03 4.44 0.31 6.13 0.15 0.34 -4.91 113.70 119.13 1ek4 s SER 36 Ca 0.42 -1.26 0.06 0.00 0.70 0.00 0.00 55.95 55.86 1ek4 s SER 36 Cb -0.26 -1.59 0.50 0.00 -1.71 0.00 0.00 66.02 62.95 1ek4 s SER 36 CO 0.33 -0.19 1.75 -0.61 1.20 0.00 0.00 173.24 175.71 1ek4 h GLN 37 N 7.86 0.33 -0.02 5.44 5.75 -1.97 -2.60 115.11 129.90 1ek4 h GLN 37 Ca -0.23 -0.13 0.02 0.00 -0.15 0.00 0.00 58.65 58.16 1ek4 h GLN 37 Cb 1.06 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.57 1ek4 h GLN 37 CO 0.50 0.60 -0.08 1.49 -2.65 0.00 0.00 178.83 178.70 1ek4 h GLU 38 N 0.29 -0.13 -0.51 1.69 4.81 -1.96 0.20 114.58 118.97 1ek4 h GLU 38 Ca 0.04 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.26 1ek4 h GLU 38 Cb 0.68 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.07 1ek4 h GLU 38 CO 0.05 -0.08 0.23 -0.07 -0.73 0.00 0.00 179.01 178.41 1ek4 h LEU 39 N -0.13 0.68 -0.32 1.64 3.38 -1.86 -2.04 115.31 116.66 1ek4 h LEU 39 Ca 0.04 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 1ek4 h LEU 39 Cb 0.18 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 1ek4 h LEU 39 CO -0.09 0.64 0.19 0.50 0.09 0.00 0.00 178.44 179.76 1ek4 h LYS 40 N 0.69 0.44 0.00 1.13 3.64 -1.17 -2.49 116.57 118.81 1ek4 h LYS 40 Ca 0.17 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1ek4 h LYS 40 Cb 0.14 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1ek4 h LYS 40 CO -0.02 0.35 -0.07 -0.44 -2.27 0.00 0.00 179.45 176.99 1ek4 h ASP 41 N 0.41 0.00 1.08 4.20 3.32 -0.39 -2.03 116.42 123.00 1ek4 h ASP 41 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1ek4 h ASP 41 Cb 0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.57 1ek4 h ASP 41 CO -0.02 0.07 0.00 -1.54 -1.72 0.00 0.00 179.24 176.03 1ek4 n SER 42 N -3.83 0.63 0.00 6.45 3.41 -0.79 -4.89 113.62 114.61 1ek4 n SER 42 Ca -0.02 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.18 1ek4 n SER 42 Cb 0.17 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.37 1ek4 n SER 42 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ek4 n GLY 43 N 0.73 0.88 3.80 5.00 0.00 -0.76 -5.10 105.19 109.74 1ek4 n GLY 43 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 1ek4 n GLY 43 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1ek4 s MET 44 N -0.84 2.21 -0.06 1.61 -1.94 -1.15 -4.99 119.30 114.15 1ek4 s MET 44 Ca 0.00 0.75 0.16 0.00 -1.71 0.00 0.00 55.69 54.89 1ek4 s MET 44 Cb 0.00 -1.92 -0.22 0.00 2.01 0.00 0.00 34.83 34.70 1ek4 s MET 44 CO 0.00 -1.56 0.53 0.54 -0.01 0.00 0.00 175.02 174.52 1ek4 n ARG 45 N -3.41 0.65 -3.18 2.03 1.74 -1.26 -4.74 116.66 108.49 1ek4 n ARG 45 Ca 0.07 0.16 -0.40 0.00 -0.77 0.00 0.00 57.85 56.92 1ek4 n ARG 45 Cb 0.55 -1.71 -0.06 0.00 -1.02 0.00 0.00 32.46 30.22 1ek4 n ARG 45 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1ek4 s SER 46 N -5.75 6.59 -0.15 0.55 0.15 -1.26 -4.75 113.70 109.07 1ek4 s SER 46 Ca -0.06 0.71 0.18 0.00 0.70 0.00 0.00 55.95 57.48 1ek4 s SER 46 Cb 0.08 -2.32 0.39 0.00 -1.71 0.00 0.00 66.02 62.46 1ek4 s SER 46 CO 0.83 -0.26 1.26 1.41 1.20 0.00 0.00 173.24 177.69 1ek4 n HIS 47 N 5.12 0.39 -4.34 3.44 8.25 -1.26 -4.58 115.22 122.23 1ek4 n HIS 47 Ca -0.03 -0.96 -0.24 0.00 -0.26 0.00 0.00 57.72 56.23 1ek4 n HIS 47 Cb 0.50 -0.22 -0.12 0.00 1.12 0.00 0.00 29.99 31.27 1ek4 n HIS 47 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1ek4 s VAL 48 N -2.87 1.95 0.18 1.59 -7.23 -1.26 -0.50 120.40 112.25 1ek4 s VAL 48 Ca 0.36 -1.82 -0.23 0.00 -1.81 0.00 0.00 61.98 58.49 1ek4 s VAL 48 Cb 0.31 -1.84 0.06 0.00 0.56 0.00 0.00 36.38 35.47 1ek4 s VAL 48 CO 0.05 -0.16 0.62 -1.66 -0.31 0.00 0.00 175.10 173.64 1ek4 s TRP 49 N -1.62 -0.48 -0.88 2.82 -2.14 -0.76 -4.46 118.94 111.42 1ek4 s TRP 49 Ca 0.14 0.23 -0.12 0.00 2.66 0.00 0.00 56.10 59.01 1ek4 s TRP 49 Cb -0.08 0.58 0.23 0.00 -3.10 0.00 0.00 33.47 31.10 1ek4 s TRP 49 CO 0.07 -0.91 0.82 0.20 -2.66 0.00 0.00 176.95 174.46 1ek4 s GLY 50 N -2.78 2.79 0.42 3.67 0.00 -0.16 -1.57 107.32 109.69 1ek4 s GLY 50 Ca 0.03 -3.45 -0.07 0.00 0.00 0.00 0.00 44.72 41.23 1ek4 s GLY 50 CO -0.10 1.26 0.74 0.54 0.00 0.00 0.00 173.10 175.54 1ek4 s ASN 51 N 1.80 6.39 -0.30 1.64 6.03 -1.26 -2.06 114.94 127.18 1ek4 s ASN 51 Ca 0.21 0.97 -0.24 0.00 -1.03 0.00 0.00 52.86 52.76 1ek4 s ASN 51 Cb -0.11 -2.26 0.00 0.00 -3.03 0.00 0.00 41.25 35.86 1ek4 s ASN 51 CO -0.08 -0.44 0.82 -0.69 -2.03 0.00 0.00 177.10 174.67 1ek4 s VAL 52 N -2.49 4.77 -1.23 3.54 1.01 -1.26 -4.16 120.40 120.58 1ek4 s VAL 52 Ca 0.48 1.29 -0.11 0.00 0.00 0.00 0.00 61.98 63.64 1ek4 s VAL 52 Cb -0.10 -4.17 0.19 0.00 0.00 0.00 0.00 36.38 32.29 1ek4 s VAL 52 CO 0.37 -0.25 1.60 0.29 0.00 0.00 0.00 175.10 177.11 1ek4 n LYS 53 N 6.25 3.56 -3.68 2.72 4.76 -1.26 -4.89 118.16 125.61 1ek4 n LYS 53 Ca 0.05 -3.80 -0.11 0.00 -2.87 0.00 0.00 58.31 51.57 1ek4 n LYS 53 Cb 0.48 -2.93 -0.09 0.00 -1.84 0.00 0.00 35.03 30.65 1ek4 n LYS 53 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 1ek4 s LEU 54 N 0.39 -0.22 -0.43 -0.35 2.96 -1.26 -4.94 118.68 114.82 1ek4 s LEU 54 Ca 0.40 1.11 -0.20 0.00 -0.22 0.00 0.00 54.13 55.22 1ek4 s LEU 54 Cb 0.02 1.80 0.02 0.00 0.50 0.00 0.00 46.19 48.54 1ek4 s LEU 54 CO 0.01 -0.20 0.59 -0.62 -1.32 0.00 0.00 176.35 174.81 1ek4 s ASP 55 N 0.83 6.29 0.00 3.68 2.15 -1.26 -4.91 116.67 123.46 1ek4 s ASP 55 Ca -0.04 -0.41 0.17 0.00 0.43 0.00 0.00 52.55 52.70 1ek4 s ASP 55 Cb -0.05 -2.30 0.79 0.00 -0.30 0.00 0.00 42.92 41.06 1ek4 s ASP 55 CO -0.07 -0.73 1.54 0.35 -0.17 0.00 0.00 175.17 176.09 1ek4 n THR 56 N 5.75 0.13 -1.69 1.71 -2.24 -1.26 -4.89 114.28 111.80 1ek4 n THR 56 Ca -0.03 -0.19 -0.44 0.00 -2.27 0.00 0.00 64.05 61.11 1ek4 n THR 56 Cb 0.48 0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 68.74 1ek4 n THR 56 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1ek4 n THR 57 N -0.16 0.05 -1.10 4.28 -1.04 -1.26 -2.16 114.28 112.89 1ek4 n THR 57 Ca 0.14 -0.01 -0.03 0.00 -2.04 0.00 0.00 64.05 62.10 1ek4 n THR 57 Cb 0.20 -1.77 -0.01 0.00 -1.82 0.00 0.00 70.33 66.92 1ek4 n THR 57 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1ek4 n GLY 58 N 3.73 0.47 0.08 3.41 0.00 -1.26 -4.84 105.19 106.78 1ek4 n GLY 58 Ca 0.17 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.23 1ek4 n GLY 58 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ek4 h LEU 59 N 0.00 0.00 -8.18 0.99 3.38 -1.78 -3.45 115.31 106.28 1ek4 h LEU 59 Ca -0.07 -0.15 -0.48 0.00 0.09 0.00 0.00 57.88 57.27 1ek4 h LEU 59 Cb 0.76 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.21 1ek4 h LEU 59 CO 0.10 0.08 -0.81 -0.63 0.09 0.00 0.00 178.44 177.27 1ek4 s ILE 60 N -3.16 1.06 0.23 1.22 1.01 -1.26 -5.09 121.20 115.22 1ek4 s ILE 60 Ca 0.07 -0.57 -0.31 0.00 0.00 0.00 0.00 60.65 59.84 1ek4 s ILE 60 Cb 0.13 -0.89 -0.14 0.00 0.01 0.00 0.00 42.46 41.57 1ek4 s ILE 60 CO 0.70 0.30 1.35 -0.67 0.00 0.00 0.00 174.94 176.62 1ek4 n ASP 61 N 2.80 2.46 -0.27 3.58 2.03 -1.26 -4.66 116.55 121.22 1ek4 n ASP 61 Ca -0.14 1.14 -0.03 0.00 0.52 0.00 0.00 54.79 56.28 1ek4 n ASP 61 Cb 0.55 -1.39 0.03 0.00 -0.72 0.00 0.00 41.12 39.60 1ek4 n ASP 61 CO 0.00 0.00 0.00 0.03 -1.92 0.00 0.00 177.20 175.31 1ek4 h ARG 62 N 3.96 -0.09 0.00 -0.67 3.08 -1.98 0.14 114.38 118.83 1ek4 h ARG 62 Ca -0.45 0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.61 1ek4 h ARG 62 Cb 1.29 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.36 1ek4 h ARG 62 CO 0.74 -0.06 0.00 0.87 -1.07 0.00 0.00 179.97 180.45 1ek4 h LYS 63 N -0.09 0.00 0.03 0.04 1.57 -2.02 -2.70 116.57 113.40 1ek4 h LYS 63 Ca 0.29 0.00 -0.35 0.00 -1.87 0.00 0.00 60.65 58.73 1ek4 h LYS 63 Cb 0.57 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.84 1ek4 h LYS 63 CO -0.79 0.00 -1.94 0.28 -0.57 0.00 0.00 179.45 176.44 1ek4 n VAL 64 N -2.76 1.58 0.29 0.50 0.31 0.14 -4.39 118.33 114.00 1ek4 n VAL 64 Ca 0.00 -0.34 0.18 0.00 -0.01 0.00 0.00 64.34 64.17 1ek4 n VAL 64 Cb 0.20 -1.85 0.79 0.00 -0.91 0.00 0.00 33.84 32.08 1ek4 n VAL 64 CO 0.00 0.00 0.00 1.62 -1.32 0.00 0.00 176.83 177.13 1ek4 h VAL 65 N -0.63 0.07 0.00 2.52 3.04 -0.80 -2.99 116.25 117.46 1ek4 h VAL 65 Ca -0.49 -0.44 -0.00 0.00 -1.01 0.00 0.00 66.70 64.76 1ek4 h VAL 65 Cb 1.63 1.41 -0.00 0.00 -2.01 0.00 0.00 31.29 32.32 1ek4 h VAL 65 CO -0.19 0.02 -0.01 0.08 -1.01 0.00 0.00 177.57 176.46 1ek4 h ARG 66 N 0.00 0.00 -0.01 4.17 0.11 -1.68 -0.97 114.38 115.99 1ek4 h ARG 66 Ca -0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1ek4 h ARG 66 Cb 0.41 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.49 1ek4 h ARG 66 CO 0.00 0.01 -0.29 1.19 0.10 0.00 0.00 179.97 180.98 1ek4 n PHE 67 N -3.42 0.00 -4.02 4.08 3.01 -1.13 -4.86 117.46 111.11 1ek4 n PHE 67 Ca -0.03 0.00 -0.29 0.00 1.01 0.00 0.00 57.45 58.14 1ek4 n PHE 67 Cb 0.09 -0.07 -0.05 0.00 -0.01 0.00 0.00 39.48 39.44 1ek4 n PHE 67 CO 0.00 0.00 0.00 -1.64 1.01 0.00 0.00 176.76 176.13 1ek4 s MET 68 N -2.42 3.05 0.47 -1.08 -1.94 -0.37 -3.35 119.30 113.66 1ek4 s MET 68 Ca 0.24 -0.66 0.08 0.00 -1.71 0.00 0.00 55.69 53.63 1ek4 s MET 68 Cb 0.19 -2.80 0.02 0.00 2.01 0.00 0.00 34.83 34.25 1ek4 s MET 68 CO 0.51 0.56 0.51 -1.54 -0.01 0.00 0.00 175.02 175.05 1ek4 s SER 69 N -2.63 5.14 0.29 3.03 1.04 -1.26 -4.91 113.70 114.39 1ek4 s SER 69 Ca 0.31 -0.77 0.00 0.00 0.48 0.00 0.00 55.95 55.98 1ek4 s SER 69 Cb -0.12 -0.26 0.51 0.00 0.10 0.00 0.00 66.02 66.25 1ek4 s SER 69 CO 0.24 -0.89 1.89 0.44 0.98 0.00 0.00 173.24 175.90 1ek4 h ASP 70 N 0.72 0.95 -0.70 7.02 3.32 -1.94 -1.60 116.42 124.18 1ek4 h ASP 70 Ca -0.38 0.02 0.06 0.00 0.02 0.00 0.00 57.03 56.75 1ek4 h ASP 70 Cb 1.28 -0.18 -0.06 0.00 0.22 0.00 0.00 39.33 40.59 1ek4 h ASP 70 CO 0.51 0.58 0.40 0.00 -1.72 0.00 0.00 179.24 179.01 1ek4 h ALA 71 N 1.50 0.94 -0.38 3.45 0.00 -1.87 0.19 119.26 123.09 1ek4 h ALA 71 Ca 0.43 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 55.22 1ek4 h ALA 71 Cb 0.27 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1ek4 h ALA 71 CO -0.18 0.09 -0.28 0.77 0.00 0.00 0.00 179.25 179.65 1ek4 h SER 72 N 0.74 0.82 -0.12 0.00 0.02 -1.75 -2.04 113.55 111.22 1ek4 h SER 72 Ca 0.31 -0.32 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1ek4 h SER 72 Cb 0.18 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1ek4 h SER 72 CO -0.18 1.05 0.07 0.40 -1.14 0.00 0.00 176.83 177.03 1ek4 h ILE 73 N 0.68 1.07 -0.80 3.27 2.04 -0.46 0.23 117.51 123.54 1ek4 h ILE 73 Ca 0.08 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.73 1ek4 h ILE 73 Cb 0.81 0.98 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 1ek4 h ILE 73 CO 0.07 0.07 0.40 1.88 0.00 0.00 0.00 178.15 180.56 1ek4 h TYR 74 N 0.12 1.13 -0.25 1.37 0.05 -0.91 -1.53 116.97 116.95 1ek4 h TYR 74 Ca 0.04 -0.04 -0.19 0.00 0.05 0.00 0.00 58.73 58.59 1ek4 h TYR 74 Cb 0.05 -0.36 0.00 0.00 1.01 0.00 0.00 36.73 37.43 1ek4 h TYR 74 CO -0.05 0.81 -0.59 0.00 -1.05 0.00 0.00 178.16 177.28 1ek4 h ALA 75 N 1.30 0.49 -0.19 3.88 0.00 -1.15 -2.28 119.26 121.31 1ek4 h ALA 75 Ca 0.28 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 1ek4 h ALA 75 Cb 0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1ek4 h ALA 75 CO -0.04 0.69 0.11 0.35 0.00 0.00 0.00 179.25 180.36 1ek4 h PHE 76 N 0.60 0.24 -0.71 0.00 3.57 -0.20 0.42 116.94 120.87 1ek4 h PHE 76 Ca 0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1ek4 h PHE 76 Cb 1.19 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.81 1ek4 h PHE 76 CO 0.07 0.19 0.31 -0.07 -2.23 0.00 0.00 178.31 176.58 1ek4 h LEU 77 N 0.23 0.94 -0.95 0.59 3.38 -1.31 -1.47 115.31 116.72 1ek4 h LEU 77 Ca 0.07 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1ek4 h LEU 77 Cb 0.01 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1ek4 h LEU 77 CO -0.01 0.82 -0.00 0.28 0.09 0.00 0.00 178.44 179.61 1ek4 h SER 78 N 1.02 0.73 -0.42 -0.43 0.02 -0.94 -2.40 113.55 111.13 1ek4 h SER 78 Ca 0.24 -0.17 -0.11 0.00 -0.84 0.00 0.00 61.79 60.91 1ek4 h SER 78 Cb 0.15 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 1ek4 h SER 78 CO -0.03 0.80 -0.15 -0.03 -1.14 0.00 0.00 176.83 176.29 1ek4 h MET 79 N 0.72 0.85 -0.60 3.45 1.85 -0.21 -0.70 114.93 120.28 1ek4 h MET 79 Ca 0.14 -0.35 0.07 0.00 -0.61 0.00 0.00 59.70 58.95 1ek4 h MET 79 Cb 0.44 -0.04 -0.06 0.00 0.43 0.00 0.00 31.60 32.38 1ek4 h MET 79 CO 0.02 0.98 0.29 0.93 -0.40 0.00 0.00 176.91 178.73 1ek4 h GLU 80 N 0.67 0.51 -0.37 0.39 5.08 -1.05 0.99 114.58 120.80 1ek4 h GLU 80 Ca 0.10 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1ek4 h GLU 80 Cb 0.70 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1ek4 h GLU 80 CO 0.05 0.34 0.21 1.96 -1.00 0.00 0.00 179.01 180.57 1ek4 h GLN 81 N 0.53 0.52 -0.77 2.33 4.20 -1.18 -2.49 115.11 118.24 1ek4 h GLN 81 Ca 0.28 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.88 1ek4 h GLN 81 Cb 0.25 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.89 1ek4 h GLN 81 CO -0.22 0.42 0.27 0.00 -0.67 0.00 0.00 178.83 178.63 1ek4 h ALA 82 N 1.07 1.01 -0.15 3.87 0.00 -0.32 -0.42 119.26 124.32 1ek4 h ALA 82 Ca 0.13 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ek4 h ALA 82 Cb 0.04 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1ek4 h ALA 82 CO -0.02 0.67 0.09 0.82 0.00 0.00 0.00 179.25 180.80 1ek4 h ILE 83 N 1.14 1.08 -0.39 0.00 2.04 -0.68 0.18 117.51 120.87 1ek4 h ILE 83 Ca 0.25 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.88 1ek4 h ILE 83 Cb 0.27 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 1ek4 h ILE 83 CO -0.01 0.07 0.12 0.00 0.00 0.00 0.00 178.15 178.33 1ek4 h ALA 84 N 1.00 0.51 0.00 1.87 0.00 -1.30 -2.26 119.26 119.08 1ek4 h ALA 84 Ca 0.05 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1ek4 h ALA 84 Cb 0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1ek4 h ALA 84 CO -0.01 0.15 -0.14 0.22 0.00 0.00 0.00 179.25 179.48 1ek4 h ASP 85 N 0.48 0.00 1.22 0.00 3.58 -0.88 -1.32 116.42 119.50 1ek4 h ASP 85 Ca 0.13 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.58 1ek4 h ASP 85 Cb 0.26 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.31 1ek4 h ASP 85 CO -0.00 0.14 -0.23 0.00 -2.88 0.00 0.00 179.24 176.27 1ek4 n ALA 86 N -2.43 2.54 -1.89 -0.78 0.00 0.03 -4.74 120.51 113.24 1ek4 n ALA 86 Ca -0.02 -0.11 -0.04 0.00 0.00 0.00 0.00 53.44 53.26 1ek4 n ALA 86 Cb 0.22 -1.36 -0.01 0.00 0.00 0.00 0.00 19.45 18.31 1ek4 n ALA 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ek4 n GLY 87 N 1.33 0.29 3.86 0.00 0.00 -0.50 -4.77 105.19 105.41 1ek4 n GLY 87 Ca 0.05 -0.74 -0.36 0.00 0.00 0.00 0.00 46.02 44.97 1ek4 n GLY 87 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ek4 s LEU 88 N -1.21 4.40 0.25 0.99 1.43 -0.90 -5.05 118.68 118.58 1ek4 s LEU 88 Ca 0.00 0.74 0.10 0.00 -1.03 0.00 0.00 54.13 53.94 1ek4 s LEU 88 Cb 0.00 -2.66 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 1ek4 s LEU 88 CO 0.00 0.27 -0.08 -0.44 0.23 0.00 0.00 176.35 176.33 1ek4 s SER 89 N -1.45 4.23 0.28 2.29 0.01 -1.26 -4.64 113.70 113.16 1ek4 s SER 89 Ca 0.26 -0.72 -0.03 0.00 1.31 0.00 0.00 55.95 56.77 1ek4 s SER 89 Cb -0.14 -0.68 0.59 0.00 0.21 0.00 0.00 66.02 66.01 1ek4 s SER 89 CO 0.14 0.04 1.59 -0.65 0.41 0.00 0.00 173.24 174.77 1ek4 h PRO 90 N 2.26 0.03 -0.05 12.44 0.11 -1.99 0.11 132.00 144.93 1ek4 h PRO 90 Ca -0.44 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.68 1ek4 h PRO 90 Cb 1.24 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1ek4 h PRO 90 CO 0.58 0.02 0.08 1.05 -0.21 0.00 0.00 178.00 179.53 1ek4 h GLU 91 N 0.03 0.00 0.05 1.05 9.09 -1.96 0.78 114.58 123.62 1ek4 h GLU 91 Ca 0.52 0.00 -0.30 0.00 0.05 0.00 0.00 59.36 59.63 1ek4 h GLU 91 Cb 0.97 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.04 1ek4 h GLU 91 CO -0.87 0.00 -1.64 0.00 0.05 0.00 0.00 179.01 176.55 1ek4 h ALA 92 N 1.88 0.57 0.00 1.06 0.00 -1.17 -3.41 119.26 118.18 1ek4 h ALA 92 Ca 0.02 -1.32 0.00 0.00 0.00 0.00 0.00 54.91 53.61 1ek4 h ALA 92 Cb 0.19 0.41 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1ek4 h ALA 92 CO -0.00 1.41 -0.82 2.48 0.00 0.00 0.00 179.25 182.33 1ek4 n TYR 93 N -3.24 0.00 -3.22 0.00 0.18 -1.00 -4.90 117.16 104.98 1ek4 n TYR 93 Ca -0.17 0.00 -0.37 0.00 1.88 0.00 0.00 57.90 59.24 1ek4 n TYR 93 Cb 1.04 -0.08 -0.06 0.00 -0.38 0.00 0.00 39.34 39.86 1ek4 n TYR 93 CO 0.00 0.00 0.00 -0.65 -2.08 0.00 0.00 176.86 174.13 1ek4 s GLN 94 N -2.06 4.17 -1.56 -3.48 -0.21 0.24 -4.08 119.66 112.68 1ek4 s GLN 94 Ca 0.00 0.73 -0.14 0.00 0.02 0.00 0.00 55.36 55.97 1ek4 s GLN 94 Cb 0.05 -3.01 0.10 0.00 1.00 0.00 0.00 33.01 31.14 1ek4 s GLN 94 CO 0.28 0.50 0.94 0.09 -2.12 0.00 0.00 175.29 174.98 1ek4 n ASN 95 N 1.05 -4.43 -4.09 5.90 3.02 0.77 -4.86 115.26 112.63 1ek4 n ASN 95 Ca -0.06 -0.82 -0.32 0.00 -0.03 0.00 0.00 54.58 53.35 1ek4 n ASN 95 Cb 0.51 -3.68 -0.15 0.00 -0.61 0.00 0.00 39.78 35.85 1ek4 n ASN 95 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1ek4 s ASN 96 N -3.34 4.01 0.67 6.41 3.84 -1.26 -4.94 114.94 120.33 1ek4 s ASN 96 Ca 0.66 -1.14 0.41 0.00 0.21 0.00 0.00 52.86 53.00 1ek4 s ASN 96 Cb -0.34 -1.53 2.25 0.00 -0.55 0.00 0.00 41.25 41.09 1ek4 s ASN 96 CO 0.85 -0.13 2.27 -0.65 -2.79 0.00 0.00 177.10 176.65 1ek4 h PRO 97 N 7.83 0.00 -0.15 0.43 0.11 -1.93 -1.70 132.00 136.60 1ek4 h PRO 97 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1ek4 h PRO 97 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1ek4 h PRO 97 CO 0.52 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.85 1ek4 n ARG 98 N -3.04 1.76 -4.86 1.05 5.12 -1.26 -4.02 116.66 111.40 1ek4 n ARG 98 Ca -0.03 -1.14 -0.31 0.00 -1.93 0.00 0.00 57.85 54.44 1ek4 n ARG 98 Cb 0.14 -1.41 -0.17 0.00 -1.16 0.00 0.00 32.46 29.86 1ek4 n ARG 98 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1ek4 s VAL 99 N -1.81 1.95 0.14 1.55 1.01 -0.64 -0.58 120.40 122.03 1ek4 s VAL 99 Ca 0.33 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1ek4 s VAL 99 Cb 0.18 -1.72 -0.00 0.00 0.00 0.00 0.00 36.38 34.84 1ek4 s VAL 99 CO 0.28 0.53 0.05 0.61 0.00 0.00 0.00 175.10 176.56 1ek4 n GLY 100 N 3.85 3.83 3.11 4.51 0.00 -0.29 -0.81 105.19 119.39 1ek4 n GLY 100 Ca -0.20 -2.00 -0.12 0.00 0.00 0.00 0.00 46.02 43.70 1ek4 n GLY 100 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ek4 s LEU 101 N 0.00 0.10 -0.25 0.99 0.20 0.12 -1.16 118.68 118.68 1ek4 s LEU 101 Ca 0.07 0.66 -0.02 0.00 0.69 0.00 0.00 54.13 55.52 1ek4 s LEU 101 Cb 0.00 0.92 0.08 0.00 -0.43 0.00 0.00 46.19 46.76 1ek4 s LEU 101 CO 0.05 -0.19 0.06 -0.63 -0.29 0.00 0.00 176.35 175.34 1ek4 s ILE 102 N 1.57 0.74 -0.05 6.68 1.01 -0.20 -2.88 121.20 128.07 1ek4 s ILE 102 Ca -0.07 -0.98 -0.15 0.00 0.00 0.00 0.00 60.65 59.45 1ek4 s ILE 102 Cb -0.10 -1.37 0.03 0.00 0.01 0.00 0.00 42.46 41.03 1ek4 s ILE 102 CO -0.10 -0.41 0.35 0.00 0.00 0.00 0.00 174.94 174.78 1ek4 s ALA 103 N 1.72 -0.87 0.25 9.38 0.00 -1.15 -2.53 121.76 128.57 1ek4 s ALA 103 Ca 0.03 0.58 -0.04 0.00 0.00 0.00 0.00 51.96 52.53 1ek4 s ALA 103 Cb -0.17 -0.12 0.02 0.00 0.00 0.00 0.00 23.12 22.85 1ek4 s ALA 103 CO -0.16 -0.24 0.40 0.41 0.00 0.00 0.00 175.76 176.17 1ek4 n GLY 104 N 1.70 2.05 3.21 0.00 0.00 -1.07 -3.61 105.19 107.47 1ek4 n GLY 104 Ca -0.19 -1.42 -0.12 0.00 0.00 0.00 0.00 46.02 44.29 1ek4 n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ek4 s SER 105 N -2.47 1.39 0.10 1.61 1.04 -1.26 -2.26 113.70 111.85 1ek4 s SER 105 Ca 0.17 -1.03 0.02 0.00 0.48 0.00 0.00 55.95 55.59 1ek4 s SER 105 Cb -0.02 0.06 -0.23 0.00 0.10 0.00 0.00 66.02 65.93 1ek4 s SER 105 CO 0.12 -0.43 1.23 1.23 0.98 0.00 0.00 173.24 176.37 1ek4 h GLY 106 N 2.86 0.14 -0.01 7.32 0.00 -1.82 -3.40 103.07 108.16 1ek4 h GLY 106 Ca -0.36 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.62 1ek4 h GLY 106 CO 0.64 0.30 -0.01 0.61 0.00 0.00 0.00 176.54 178.09 1ek4 n GLY 107 N 1.41 0.83 7.00 4.60 0.00 -1.26 -4.74 105.19 113.03 1ek4 n GLY 107 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1ek4 n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ek4 n GLY 108 N -0.33 2.85 2.58 -0.02 0.00 -1.26 -4.02 105.19 104.98 1ek4 n GLY 108 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1ek4 n GLY 108 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ek4 s SER 109 N -4.00 1.20 0.39 1.61 0.15 -1.26 -4.70 113.70 107.09 1ek4 s SER 109 Ca 0.00 -2.25 0.11 0.00 0.70 0.00 0.00 55.95 54.51 1ek4 s SER 109 Cb 0.00 0.22 0.90 0.00 -1.71 0.00 0.00 66.02 65.43 1ek4 s SER 109 CO 0.00 -0.21 1.93 -0.65 1.20 0.00 0.00 173.24 175.51 1ek4 h PRO 110 N 6.25 0.56 -0.43 5.44 0.11 -1.93 -1.45 132.00 140.56 1ek4 h PRO 110 Ca 0.13 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 1ek4 h PRO 110 Cb 1.00 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.96 1ek4 h PRO 110 CO 0.24 0.37 0.23 -0.09 -0.21 0.00 0.00 178.00 178.55 1ek4 h ARG 111 N 0.58 0.60 0.00 1.05 2.43 -1.93 -1.47 114.38 115.64 1ek4 h ARG 111 Ca 0.35 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.40 1ek4 h ARG 111 Cb 0.59 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 1ek4 h ARG 111 CO -0.13 0.49 -0.28 0.74 -1.51 0.00 0.00 179.97 179.28 1ek4 h PHE 112 N 0.56 0.00 -0.45 2.20 -1.00 -1.78 -0.70 116.94 115.76 1ek4 h PHE 112 Ca 0.15 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.80 1ek4 h PHE 112 Cb 0.06 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.61 1ek4 h PHE 112 CO -0.02 0.26 -0.24 1.96 -1.61 0.00 0.00 178.31 178.66 1ek4 h GLN 113 N 0.00 0.95 -0.08 1.51 4.20 -1.10 -1.31 115.11 119.29 1ek4 h GLN 113 Ca -0.00 -0.42 -0.20 0.00 0.06 0.00 0.00 58.65 58.09 1ek4 h GLN 113 Cb 1.20 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.96 1ek4 h GLN 113 CO 0.03 1.08 -0.79 0.28 -0.67 0.00 0.00 178.83 178.76 1ek4 h VAL 114 N 0.81 1.36 -0.28 -0.54 2.07 -1.20 -2.77 116.25 115.71 1ek4 h VAL 114 Ca 0.10 -2.17 0.01 0.00 0.82 0.00 0.00 66.70 65.46 1ek4 h VAL 114 Cb 0.82 2.15 -0.02 0.00 -1.52 0.00 0.00 31.29 32.72 1ek4 h VAL 114 CO 0.07 0.66 0.15 0.15 0.02 0.00 0.00 177.57 178.62 1ek4 h PHE 115 N 0.32 0.29 -0.51 1.57 3.57 -0.95 0.52 116.94 121.75 1ek4 h PHE 115 Ca -0.05 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.47 1ek4 h PHE 115 Cb 1.39 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 40.01 1ek4 h PHE 115 CO 0.06 0.17 0.32 0.78 -2.23 0.00 0.00 178.31 177.41 1ek4 h GLY 116 N 0.32 0.71 1.07 2.40 0.00 -1.22 0.45 103.07 106.81 1ek4 h GLY 116 Ca 0.11 -0.25 -0.10 0.00 0.00 0.00 0.00 47.33 47.09 1ek4 h GLY 116 CO -0.06 0.23 -0.01 0.00 0.00 0.00 0.00 176.54 176.71 1ek4 h ALA 117 N 1.20 0.79 -0.20 3.60 0.00 -1.22 -0.85 119.26 122.58 1ek4 h ALA 117 Ca 0.19 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1ek4 h ALA 117 Cb -0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 1ek4 h ALA 117 CO -0.06 0.64 0.05 -0.44 0.00 0.00 0.00 179.25 179.44 1ek4 h ASP 118 N 0.94 0.29 -0.57 0.00 3.45 -0.59 -2.42 116.42 117.51 1ek4 h ASP 118 Ca 0.17 -0.22 -0.03 0.00 0.43 0.00 0.00 57.03 57.38 1ek4 h ASP 118 Cb 0.56 -0.08 -0.03 0.00 -0.56 0.00 0.00 39.33 39.23 1ek4 h ASP 118 CO 0.03 0.43 0.25 0.00 -1.57 0.00 0.00 179.24 178.39 1ek4 h ALA 119 N 0.87 0.74 -0.38 3.45 0.00 -0.84 -2.69 119.26 120.40 1ek4 h ALA 119 Ca 0.06 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ek4 h ALA 119 Cb 0.25 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1ek4 h ALA 119 CO -0.00 0.32 0.24 1.98 0.00 0.00 0.00 179.25 181.79 1ek4 h MET 120 N 0.78 0.51 -0.01 0.00 1.85 -1.07 -1.65 114.93 115.34 1ek4 h MET 120 Ca 0.19 -0.04 0.00 0.00 -0.61 0.00 0.00 59.70 59.25 1ek4 h MET 120 Cb 0.16 -0.11 0.00 0.00 0.43 0.00 0.00 31.60 32.08 1ek4 h MET 120 CO -0.02 0.35 -0.00 0.54 -0.40 0.00 0.00 176.91 177.38 1ek4 n ARG 121 N -4.46 1.31 -2.35 0.39 1.74 -0.92 -4.26 116.66 108.10 1ek4 n ARG 121 Ca 0.03 -0.45 -0.26 0.00 -0.77 0.00 0.00 57.85 56.40 1ek4 n ARG 121 Cb 0.07 -1.49 0.13 0.00 -1.02 0.00 0.00 32.46 30.16 1ek4 n ARG 121 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1ek4 s GLY 122 N -2.00 1.76 0.56 -0.13 0.00 -0.62 -4.98 107.32 101.91 1ek4 s GLY 122 Ca 0.43 -1.52 0.35 0.00 0.00 0.00 0.00 44.72 43.98 1ek4 s GLY 122 CO 0.35 -0.89 2.03 -0.56 0.00 0.00 0.00 173.10 174.04 1ek4 h PRO 123 N -0.91 0.00 0.00 2.90 0.13 -1.89 -3.04 132.00 129.20 1ek4 h PRO 123 Ca -0.39 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 1ek4 h PRO 123 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 1ek4 h PRO 123 CO 0.40 0.01 -0.10 0.00 -0.23 0.00 0.00 178.00 178.09 1ek4 h ARG 124 N 0.00 0.00 0.00 0.86 3.08 -1.91 -3.49 114.38 112.92 1ek4 h ARG 124 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1ek4 h ARG 124 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 1ek4 h ARG 124 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1ek4 n GLY 125 N 1.24 3.36 0.37 0.04 0.00 -1.15 -2.47 105.19 106.58 1ek4 n GLY 125 Ca 0.05 -0.07 0.15 0.00 0.00 0.00 0.00 46.02 46.15 1ek4 n GLY 125 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ek4 h LEU 126 N 0.00 0.24 -1.27 0.99 3.38 -1.87 -1.53 115.31 115.25 1ek4 h LEU 126 Ca 0.00 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1ek4 h LEU 126 Cb 0.00 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1ek4 h LEU 126 CO 0.00 0.13 -0.35 0.11 0.09 0.00 0.00 178.44 178.43 1ek4 h LYS 127 N 0.26 0.03 0.00 1.13 1.57 -1.88 -2.59 116.57 115.10 1ek4 h LYS 127 Ca 0.28 -0.01 -0.20 0.00 -1.87 0.00 0.00 60.65 58.85 1ek4 h LYS 127 Cb 0.76 -0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.04 1ek4 h LYS 127 CO -0.06 0.38 -0.95 0.00 -0.57 0.00 0.00 179.45 178.24 1ek4 h ALA 128 N 1.63 0.43 0.02 3.86 0.00 -1.39 -3.29 119.26 120.52 1ek4 h ALA 128 Ca 0.00 -0.86 -0.00 0.00 0.00 0.00 0.00 54.91 54.05 1ek4 h ALA 128 Cb 0.63 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1ek4 h ALA 128 CO 0.05 1.17 -0.01 0.28 0.00 0.00 0.00 179.25 180.73 1ek4 h VAL 129 N 0.00 1.16 0.00 0.00 2.07 -1.21 -3.48 116.25 114.80 1ek4 h VAL 129 Ca -0.01 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.95 1ek4 h VAL 129 Cb 1.68 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.99 1ek4 h VAL 129 CO 0.13 0.14 0.00 0.61 0.02 0.00 0.00 177.57 178.47 1ek4 n GLY 130 N -0.45 -0.82 0.67 2.17 0.00 -1.01 -4.67 105.19 101.09 1ek4 n GLY 130 Ca -0.08 -1.66 0.09 0.00 0.00 0.00 0.00 46.02 44.37 1ek4 n GLY 130 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1ek4 n PRO 131 N -0.86 1.87 -0.12 1.61 -0.04 -1.26 -4.35 135.00 131.85 1ek4 n PRO 131 Ca 0.00 -1.33 0.06 0.00 -0.04 0.00 0.00 63.50 62.20 1ek4 n PRO 131 Cb 0.00 -1.38 0.12 0.00 -0.04 0.00 0.00 33.50 32.20 1ek4 n PRO 131 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ek4 n TYR 132 N 0.55 0.30 -0.07 0.54 4.01 -1.26 -4.69 117.16 116.55 1ek4 n TYR 132 Ca 0.16 -0.29 -0.11 0.00 -0.16 0.00 0.00 57.90 57.49 1ek4 n TYR 132 Cb 0.36 -0.01 0.02 0.00 -0.31 0.00 0.00 39.34 39.40 1ek4 n TYR 132 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 1ek4 h VAL 133 N 2.35 1.29 -0.19 -0.72 2.07 -1.83 -3.19 116.25 116.03 1ek4 h VAL 133 Ca 0.00 -1.61 0.04 0.00 0.82 0.00 0.00 66.70 65.95 1ek4 h VAL 133 Cb 0.66 1.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.89 1ek4 h VAL 133 CO 0.00 0.53 -0.10 0.58 0.02 0.00 0.00 177.57 178.60 1ek4 h VAL 134 N 0.63 0.69 0.00 2.57 2.07 -1.92 0.17 116.25 120.46 1ek4 h VAL 134 Ca 0.04 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.54 1ek4 h VAL 134 Cb 1.00 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1ek4 h VAL 134 CO 0.10 0.00 -0.13 0.71 0.02 0.00 0.00 177.57 178.27 1ek4 h THR 135 N -0.08 0.43 0.24 2.57 1.35 -1.83 0.96 112.91 116.55 1ek4 h THR 135 Ca 0.10 -0.68 -0.33 0.00 -0.55 0.00 0.00 66.41 64.96 1ek4 h THR 135 Cb 0.24 1.48 0.03 0.00 -1.73 0.00 0.00 68.15 68.17 1ek4 h THR 135 CO -0.24 0.12 -1.46 0.11 -0.25 0.00 0.00 175.52 173.80 1ek4 h LYS 136 N 0.00 0.50 0.00 4.72 1.57 -1.29 -3.39 116.57 118.69 1ek4 h LYS 136 Ca -0.00 -0.86 0.00 0.00 -1.87 0.00 0.00 60.65 57.92 1ek4 h LYS 136 Cb 0.47 0.32 0.00 0.00 0.08 0.00 0.00 32.23 33.10 1ek4 h LYS 136 CO 0.02 1.41 -1.17 0.00 -0.57 0.00 0.00 179.45 179.13 1ek4 n ALA 137 N -2.74 2.79 -1.76 3.86 0.00 0.52 -4.27 120.51 118.92 1ek4 n ALA 137 Ca -0.18 -0.33 -0.37 0.00 0.00 0.00 0.00 53.44 52.56 1ek4 n ALA 137 Cb 1.08 -1.01 0.02 0.00 0.00 0.00 0.00 19.45 19.53 1ek4 n ALA 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ek4 s MET 138 N -3.35 3.35 0.51 0.00 0.23 0.31 -3.98 119.30 116.38 1ek4 s MET 138 Ca -0.01 1.98 0.22 0.00 -1.03 0.00 0.00 55.69 56.86 1ek4 s MET 138 Cb 0.12 -2.26 1.31 0.00 -1.53 0.00 0.00 34.83 32.47 1ek4 s MET 138 CO 0.81 -0.94 2.00 0.00 -2.03 0.00 0.00 175.02 174.86 1ek4 h ALA 139 N 1.59 2.36 -0.41 3.16 0.00 -1.92 -1.16 119.26 122.87 1ek4 h ALA 139 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1ek4 h ALA 139 Cb 1.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1ek4 h ALA 139 CO 0.58 -0.50 0.00 -1.13 0.00 0.00 0.00 179.25 178.20 1ek4 n SER 140 N -4.41 2.92 -0.21 0.00 3.41 -1.26 -4.53 113.62 109.54 1ek4 n SER 140 Ca 0.09 -2.20 0.01 0.00 -0.26 0.00 0.00 58.87 56.51 1ek4 n SER 140 Cb 0.52 -0.41 0.10 0.00 -0.26 0.00 0.00 64.21 64.16 1ek4 n SER 140 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1ek4 h GLY 141 N 4.81 0.64 0.75 5.00 0.00 -1.43 -0.92 103.07 111.90 1ek4 h GLY 141 Ca 0.00 0.11 0.07 0.00 0.00 0.00 0.00 47.33 47.52 1ek4 h GLY 141 CO 0.11 -0.22 0.62 -2.08 0.00 0.00 0.00 176.54 174.97 1ek4 h VAL 142 N 0.09 1.05 0.10 4.60 2.07 -1.84 0.69 116.25 123.00 1ek4 h VAL 142 Ca 0.33 -0.37 -0.13 0.00 0.82 0.00 0.00 66.70 67.35 1ek4 h VAL 142 Cb 0.54 -0.13 0.01 0.00 -1.52 0.00 0.00 31.29 30.19 1ek4 h VAL 142 CO -0.57 0.20 -0.57 0.77 0.02 0.00 0.00 177.57 177.42 1ek4 h SER 143 N 1.09 0.32 -0.46 0.57 4.64 -1.47 -3.26 113.55 114.99 1ek4 h SER 143 Ca 0.42 -0.97 0.04 0.00 -0.47 0.00 0.00 61.79 60.82 1ek4 h SER 143 Cb 0.23 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 62.17 1ek4 h SER 143 CO -0.17 1.27 0.22 0.00 -0.87 0.00 0.00 176.83 177.28 1ek4 h ALA 144 N 0.06 0.58 0.00 5.18 0.00 -1.00 -0.12 119.26 123.94 1ek4 h ALA 144 Ca -0.10 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ek4 h ALA 144 Cb 1.45 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1ek4 h ALA 144 CO 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 179.25 179.21 1ek4 n LEU 146 N -2.25 2.29 -0.20 0.00 4.32 -1.01 -4.35 117.00 115.80 1ek4 n LEU 146 Ca 0.03 0.11 0.07 0.00 -0.02 0.00 0.00 56.01 56.20 1ek4 n LEU 146 Cb 0.27 -0.76 0.34 0.00 -1.62 0.00 0.00 43.42 41.65 1ek4 n LEU 146 CO 0.22 0.68 1.22 0.00 -1.22 0.00 0.00 177.39 178.29 1ek4 h ALA 147 N -0.49 1.70 0.34 -1.18 0.00 -1.10 -2.06 119.26 116.46 1ek4 h ALA 147 Ca -0.58 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.30 1ek4 h ALA 147 Cb 1.66 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1ek4 h ALA 147 CO -0.25 0.18 -0.16 1.15 0.00 0.00 0.00 179.25 180.17 1ek4 h THR 148 N 0.78 0.51 -0.17 0.00 2.02 -1.76 -0.90 112.91 113.40 1ek4 h THR 148 Ca 0.33 -0.72 -0.08 0.00 0.77 0.00 0.00 66.41 66.72 1ek4 h THR 148 Cb 0.29 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 1ek4 h THR 148 CO -0.12 0.11 -0.23 1.55 0.37 0.00 0.00 175.52 177.20 1ek4 h PRO 149 N -0.93 0.30 -0.07 6.66 0.13 -1.74 -2.62 132.00 133.73 1ek4 h PRO 149 Ca -0.05 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.99 1ek4 h PRO 149 Cb 0.52 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.63 1ek4 h PRO 149 CO 0.08 0.52 0.00 1.19 -0.23 0.00 0.00 178.00 179.55 1ek4 n PHE 150 N -4.17 0.10 -3.79 1.56 3.01 -0.78 -4.91 117.46 108.48 1ek4 n PHE 150 Ca -0.01 -0.05 -0.24 0.00 1.01 0.00 0.00 57.45 58.16 1ek4 n PHE 150 Cb 0.36 0.00 0.03 0.00 -0.01 0.00 0.00 39.48 39.85 1ek4 n PHE 150 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1ek4 n LYS 151 N -0.33 -4.95 -2.76 -1.08 4.76 -0.99 -4.57 118.16 108.24 1ek4 n LYS 151 Ca 0.07 0.59 -0.42 0.00 -2.87 0.00 0.00 58.31 55.68 1ek4 n LYS 151 Cb 0.09 -5.21 -0.03 0.00 -1.84 0.00 0.00 35.03 28.04 1ek4 n LYS 151 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1ek4 s ILE 152 N -3.59 4.89 -0.40 -0.18 -1.09 -0.36 -0.16 121.20 120.31 1ek4 s ILE 152 Ca 0.20 1.96 0.11 0.00 -2.23 0.00 0.00 60.65 60.69 1ek4 s ILE 152 Cb -0.10 -4.28 -0.14 0.00 -1.58 0.00 0.00 42.46 36.37 1ek4 s ILE 152 CO 0.82 0.18 0.43 1.41 -1.23 0.00 0.00 174.94 176.55 1ek4 n HIS 153 N 3.85 0.00 -0.07 3.97 8.25 -1.25 -4.87 115.22 125.10 1ek4 n HIS 153 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1ek4 n HIS 153 Cb 0.51 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.55 1ek4 n HIS 153 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ek4 n GLY 154 N 1.42 1.05 3.75 -1.41 0.00 0.01 -4.69 105.19 105.32 1ek4 n GLY 154 Ca 0.01 -1.47 -0.37 0.00 0.00 0.00 0.00 46.02 44.19 1ek4 n GLY 154 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ek4 s VAL 155 N 0.64 2.42 -0.28 1.61 -7.23 -1.26 -4.84 120.40 111.46 1ek4 s VAL 155 Ca 0.00 0.30 0.01 0.00 -1.81 0.00 0.00 61.98 60.48 1ek4 s VAL 155 Cb 0.00 -3.14 0.16 0.00 0.56 0.00 0.00 36.38 33.97 1ek4 s VAL 155 CO 0.00 -0.03 0.46 0.21 -0.31 0.00 0.00 175.10 175.43 1ek4 s ASN 156 N -1.27 -0.25 0.09 4.85 2.47 -1.25 -0.70 114.94 118.88 1ek4 s ASN 156 Ca 0.73 0.04 -0.27 0.00 0.42 0.00 0.00 52.86 53.79 1ek4 s ASN 156 Cb -0.35 1.42 0.08 0.00 -1.45 0.00 0.00 41.25 40.95 1ek4 s ASN 156 CO 0.40 -0.32 1.06 -0.72 -3.72 0.00 0.00 177.10 173.80 1ek4 s TYR 157 N 2.64 -0.11 0.01 0.43 1.13 -1.14 -5.01 117.35 115.30 1ek4 s TYR 157 Ca 0.12 -0.13 0.04 0.00 -1.41 0.00 0.00 57.07 55.70 1ek4 s TYR 157 Cb -0.13 0.61 -0.03 0.00 -1.10 0.00 0.00 41.96 41.30 1ek4 s TYR 157 CO -0.25 -0.65 -0.11 -1.12 -2.51 0.00 0.00 175.55 170.92 1ek4 s SER 158 N -2.93 4.31 -0.09 -0.18 0.01 -1.26 -2.93 113.70 110.65 1ek4 s SER 158 Ca 0.13 -0.24 0.02 0.00 1.31 0.00 0.00 55.95 57.16 1ek4 s SER 158 Cb 0.00 -0.91 -0.02 0.00 0.21 0.00 0.00 66.02 65.30 1ek4 s SER 158 CO 0.00 0.28 -0.13 -0.63 0.41 0.00 0.00 173.24 173.17 1ek4 s ILE 159 N -0.95 3.14 -0.03 1.44 1.01 -1.26 -4.96 121.20 119.58 1ek4 s ILE 159 Ca 0.16 -0.66 0.03 0.00 0.00 0.00 0.00 60.65 60.18 1ek4 s ILE 159 Cb -0.11 -2.28 -0.00 0.00 0.01 0.00 0.00 42.46 40.08 1ek4 s ILE 159 CO 0.06 0.56 -0.13 -0.55 0.00 0.00 0.00 174.94 174.88 1ek4 s SER 160 N -0.24 1.67 -0.41 3.58 0.15 -1.26 -4.28 113.70 112.91 1ek4 s SER 160 Ca 0.01 -0.27 0.09 0.00 0.70 0.00 0.00 55.95 56.49 1ek4 s SER 160 Cb -0.13 -0.42 0.38 0.00 -1.71 0.00 0.00 66.02 64.14 1ek4 s SER 160 CO 0.03 0.12 1.29 -1.54 1.20 0.00 0.00 173.24 174.33 1ek4 n SER 161 N 3.16 -1.82 0.00 5.45 3.41 -1.26 -4.91 113.62 117.65 1ek4 n SER 161 Ca -0.18 -2.71 0.00 0.00 -0.26 0.00 0.00 58.87 55.72 1ek4 n SER 161 Cb 0.54 1.11 0.00 0.00 -0.26 0.00 0.00 64.21 65.60 1ek4 n SER 161 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ek4 n ALA 162 N -0.39 0.00 1.17 7.33 0.00 -1.26 -1.18 120.51 126.18 1ek4 n ALA 162 Ca -0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.53 1ek4 n ALA 162 Cb 0.82 0.00 0.56 0.00 0.00 0.00 0.00 19.45 20.83 1ek4 n ALA 162 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ek4 n SER 163 N 4.49 0.00 -0.34 0.00 7.64 -1.26 -2.24 113.62 121.92 1ek4 n SER 163 Ca 0.00 -0.52 0.06 0.00 1.01 0.00 0.00 58.87 59.42 1ek4 n SER 163 Cb 0.00 -0.04 0.01 0.00 -1.01 0.00 0.00 64.21 63.17 1ek4 n SER 163 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ek4 n ALA 164 N -1.04 2.84 -0.02 -0.43 0.00 -0.33 -4.44 120.51 117.10 1ek4 n ALA 164 Ca 0.14 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.07 1ek4 n ALA 164 Cb 0.08 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.10 1ek4 n ALA 164 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1ek4 n THR 165 N 0.03 0.00 0.39 0.00 -1.04 -0.95 -1.05 114.28 111.65 1ek4 n THR 165 Ca 0.06 0.98 0.10 0.00 -2.04 0.00 0.00 64.05 63.14 1ek4 n THR 165 Cb 0.27 -1.31 0.42 0.00 -1.82 0.00 0.00 70.33 67.89 1ek4 n THR 165 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1ek4 n SER 166 N -2.61 0.41 0.02 8.00 3.41 -0.98 -1.94 113.62 119.94 1ek4 n SER 166 Ca 0.00 0.61 -0.18 0.00 -0.26 0.00 0.00 58.87 59.04 1ek4 n SER 166 Cb 0.00 -0.70 -0.13 0.00 -0.26 0.00 0.00 64.21 63.12 1ek4 n SER 166 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ek4 h ALA 167 N 2.30 -0.02 -0.11 7.33 0.00 -1.36 -2.98 119.26 124.42 1ek4 h ALA 167 Ca 0.00 -0.63 -0.05 0.00 0.00 0.00 0.00 54.91 54.23 1ek4 h ALA 167 Cb 0.28 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1ek4 h ALA 167 CO 0.00 0.33 -0.17 0.45 0.00 0.00 0.00 179.25 179.86 1ek4 h HIS 168 N -0.30 0.18 -0.41 0.00 -0.00 -0.86 -1.32 115.15 112.44 1ek4 h HIS 168 Ca -0.10 -0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.24 1ek4 h HIS 168 Cb 1.45 -0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 28.79 1ek4 h HIS 168 CO 0.18 0.35 0.22 0.00 -0.00 0.00 0.00 177.93 178.68 1ek4 h ILE 170 N 0.53 1.25 -0.86 0.00 2.04 -1.29 -1.58 117.51 117.61 1ek4 h ILE 170 Ca 0.14 -0.97 -0.03 0.00 1.00 0.00 0.00 64.86 65.01 1ek4 h ILE 170 Cb 0.05 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 1ek4 h ILE 170 CO -0.02 0.34 0.43 1.23 0.00 0.00 0.00 178.15 180.13 1ek4 h GLY 171 N 0.66 1.30 1.35 5.37 0.00 -0.99 -1.32 103.07 109.44 1ek4 h GLY 171 Ca 0.14 -0.63 -0.11 0.00 0.00 0.00 0.00 47.33 46.73 1ek4 h GLY 171 CO 0.01 0.60 -0.23 -0.57 0.00 0.00 0.00 176.54 176.36 1ek4 h ASN 172 N 1.21 0.76 -0.88 0.19 -0.73 -0.88 -2.04 115.58 113.20 1ek4 h ASN 172 Ca 0.30 -0.27 -0.01 0.00 1.87 0.00 0.00 56.30 58.19 1ek4 h ASN 172 Cb 0.09 -0.21 -0.04 0.00 0.27 0.00 0.00 38.32 38.43 1ek4 h ASN 172 CO -0.04 0.96 0.51 0.00 -0.37 0.00 0.00 177.43 178.49 1ek4 h ALA 173 N 1.10 1.23 -0.31 1.57 0.00 -0.67 -0.51 119.26 121.66 1ek4 h ALA 173 Ca 0.09 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ek4 h ALA 173 Cb 0.73 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1ek4 h ALA 173 CO 0.06 0.64 0.19 0.28 0.00 0.00 0.00 179.25 180.41 1ek4 h VAL 174 N 1.23 1.11 -0.65 0.00 2.07 -0.82 -2.73 116.25 116.47 1ek4 h VAL 174 Ca 0.32 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 1ek4 h VAL 174 Cb -0.02 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 1ek4 h VAL 174 CO -0.06 0.11 0.34 -0.33 0.02 0.00 0.00 177.57 177.66 1ek4 h GLU 175 N 0.40 0.91 -0.46 1.57 5.08 -0.65 -0.15 114.58 121.28 1ek4 h GLU 175 Ca 0.11 -0.11 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1ek4 h GLU 175 Cb 0.02 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1ek4 h GLU 175 CO -0.02 0.68 0.14 1.96 -1.00 0.00 0.00 179.01 180.77 1ek4 h GLN 176 N 0.91 0.68 0.16 2.33 1.08 -0.84 -0.34 115.11 119.09 1ek4 h GLN 176 Ca 0.23 -0.11 -0.30 0.00 -1.45 0.00 0.00 58.65 57.02 1ek4 h GLN 176 Cb 0.05 -0.11 0.03 0.00 -0.05 0.00 0.00 27.48 27.40 1ek4 h GLN 176 CO -0.03 0.60 -1.28 0.82 -0.95 0.00 0.00 178.83 177.98 1ek4 h ILE 177 N 0.66 1.30 -0.26 2.54 2.04 -1.13 -1.84 117.51 120.82 1ek4 h ILE 177 Ca 0.15 -2.52 -0.02 0.00 1.00 0.00 0.00 64.86 63.47 1ek4 h ILE 177 Cb 0.21 2.83 -0.01 0.00 -0.74 0.00 0.00 36.82 39.11 1ek4 h ILE 177 CO -0.01 0.76 0.09 1.56 0.00 0.00 0.00 178.15 180.55 1ek4 h GLN 178 N 0.19 0.36 0.00 2.37 4.20 -0.75 0.31 115.11 121.79 1ek4 h GLN 178 Ca -0.21 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.46 1ek4 h GLN 178 Cb 1.97 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.68 1ek4 h GLN 178 CO 0.24 0.32 0.00 1.28 -0.67 0.00 0.00 178.83 180.00 1ek4 n LEU 179 N -4.41 0.00 -0.20 1.46 4.77 -0.16 -3.61 117.00 114.84 1ek4 n LEU 179 Ca 0.01 0.30 -0.03 0.00 -0.03 0.00 0.00 56.01 56.26 1ek4 n LEU 179 Cb 0.14 -0.30 -0.01 0.00 -2.33 0.00 0.00 43.42 40.92 1ek4 n LEU 179 CO 0.36 -0.05 -0.02 0.61 -1.33 0.00 0.00 177.39 176.96 1ek4 n GLY 180 N 0.89 0.58 0.10 -0.72 0.00 0.10 -4.92 105.19 101.22 1ek4 n GLY 180 Ca 0.12 -0.45 -0.02 0.00 0.00 0.00 0.00 46.02 45.66 1ek4 n GLY 180 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ek4 h LYS 181 N 0.36 0.00 -4.11 1.61 1.57 -1.54 -3.48 116.57 110.99 1ek4 h LYS 181 Ca -0.05 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.56 1ek4 h LYS 181 Cb 0.28 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 32.40 1ek4 h LYS 181 CO 0.08 0.56 -0.70 -0.65 -0.57 0.00 0.00 179.45 178.17 1ek4 s GLN 182 N -2.83 0.43 -0.20 3.15 -1.52 -1.16 -4.80 119.66 112.73 1ek4 s GLN 182 Ca -0.00 -0.82 0.14 0.00 -1.95 0.00 0.00 55.36 52.74 1ek4 s GLN 182 Cb 0.09 0.11 -0.23 0.00 -0.22 0.00 0.00 33.01 32.75 1ek4 s GLN 182 CO 0.80 -0.06 0.06 -0.25 -0.25 0.00 0.00 175.29 175.58 1ek4 n ASP 183 N 1.11 0.43 -3.84 5.90 8.00 0.26 -4.35 116.55 124.06 1ek4 n ASP 183 Ca -0.21 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.17 1ek4 n ASP 183 Cb 0.57 0.66 -0.14 0.00 -0.02 0.00 0.00 41.12 42.18 1ek4 n ASP 183 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ek4 s ILE 184 N -2.50 -0.01 -0.04 0.53 1.01 -1.14 -1.11 121.20 117.94 1ek4 s ILE 184 Ca -0.14 0.05 -0.01 0.00 0.00 0.00 0.00 60.65 60.55 1ek4 s ILE 184 Cb 0.07 -0.05 0.03 0.00 0.01 0.00 0.00 42.46 42.52 1ek4 s ILE 184 CO 0.79 0.02 0.02 -0.69 0.00 0.00 0.00 174.94 175.08 1ek4 s VAL 185 N 0.28 0.10 -0.19 2.92 1.01 0.18 -1.13 120.40 123.57 1ek4 s VAL 185 Ca -0.02 0.22 -0.25 0.00 0.00 0.00 0.00 61.98 61.93 1ek4 s VAL 185 Cb -0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 36.38 36.06 1ek4 s VAL 185 CO -0.01 0.18 0.84 -0.36 0.00 0.00 0.00 175.10 175.75 1ek4 s PHE 186 N 1.63 3.39 0.01 5.22 0.40 -0.31 -1.39 117.98 126.93 1ek4 s PHE 186 Ca -0.01 1.24 0.05 0.00 -0.60 0.00 0.00 56.93 57.60 1ek4 s PHE 186 Cb -0.13 -3.03 -0.02 0.00 0.51 0.00 0.00 43.02 40.36 1ek4 s PHE 186 CO -0.03 -0.28 -0.17 0.00 0.70 0.00 0.00 175.22 175.44 1ek4 s ALA 187 N 2.33 1.39 0.00 5.36 0.00 -0.64 -1.03 121.76 129.17 1ek4 s ALA 187 Ca 0.38 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 51.55 1ek4 s ALA 187 Cb -0.16 -0.32 0.00 0.00 0.00 0.00 0.00 23.12 22.64 1ek4 s ALA 187 CO 0.11 0.32 0.00 0.41 0.00 0.00 0.00 175.76 176.60 1ek4 n GLY 188 N 2.41 -0.69 0.00 0.00 0.00 -1.05 -0.83 105.19 105.03 1ek4 n GLY 188 Ca -0.16 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.58 1ek4 n GLY 188 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ek4 n GLY 189 N 0.00 -1.82 3.77 -0.02 0.00 -0.51 -2.58 105.19 104.03 1ek4 n GLY 189 Ca 0.00 -1.13 -0.08 0.00 0.00 0.00 0.00 46.02 44.81 1ek4 n GLY 189 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ek4 s GLY 190 N 0.00 0.11 -0.23 -0.02 0.00 -0.96 -1.44 107.32 104.78 1ek4 s GLY 190 Ca 0.00 -0.49 -0.15 0.00 0.00 0.00 0.00 44.72 44.08 1ek4 s GLY 190 CO 0.00 -0.26 0.58 1.85 0.00 0.00 0.00 173.10 175.27 1ek4 s GLU 191 N -3.95 0.61 0.81 2.90 2.56 -0.29 -4.17 118.70 117.17 1ek4 s GLU 191 Ca 0.15 1.01 -0.12 0.00 0.00 0.00 0.00 54.97 56.01 1ek4 s GLU 191 Cb -0.04 0.14 0.08 0.00 2.00 0.00 0.00 34.13 36.30 1ek4 s GLU 191 CO 0.08 -0.14 1.15 -1.83 -0.56 0.00 0.00 175.26 173.96 1ek4 s GLU 192 N 1.27 1.99 -0.14 4.30 -1.05 -1.26 -1.91 118.70 121.90 1ek4 s GLU 192 Ca -0.08 0.26 -0.01 0.00 -0.15 0.00 0.00 54.97 55.00 1ek4 s GLU 192 Cb -0.06 -1.94 0.04 0.00 -0.44 0.00 0.00 34.13 31.73 1ek4 s GLU 192 CO -0.13 -1.61 -0.05 -1.17 0.95 0.00 0.00 175.26 173.26 1ek4 s LEU 193 N -5.64 1.31 0.05 1.83 2.96 -1.26 -4.69 118.68 113.24 1ek4 s LEU 193 Ca 0.61 -0.48 -0.27 0.00 -0.22 0.00 0.00 54.13 53.78 1ek4 s LEU 193 Cb -0.12 -0.81 0.08 0.00 0.50 0.00 0.00 46.19 45.84 1ek4 s LEU 193 CO 0.51 -0.17 0.70 0.00 -1.32 0.00 0.00 176.35 176.07 1ek4 h TRP 195 N 2.30 0.21 -0.94 0.00 5.08 -1.98 -1.13 115.95 119.50 1ek4 h TRP 195 Ca -0.29 -0.03 0.18 0.00 1.08 0.00 0.00 58.89 59.83 1ek4 h TRP 195 Cb 1.24 -0.06 -0.08 0.00 -3.00 0.00 0.00 29.16 27.26 1ek4 h TRP 195 CO 0.28 0.36 0.60 0.93 -1.28 0.00 0.00 178.44 179.33 1ek4 h GLU 196 N 0.19 0.62 0.06 0.12 3.07 -1.96 -1.02 114.58 115.66 1ek4 h GLU 196 Ca 0.04 -0.04 -0.37 0.00 -0.50 0.00 0.00 59.36 58.50 1ek4 h GLU 196 Cb 0.39 -0.14 -0.04 0.00 -0.84 0.00 0.00 28.75 28.13 1ek4 h GLU 196 CO 0.02 0.41 -2.10 -0.12 -1.40 0.00 0.00 179.01 175.82 1ek4 n MET 197 N -4.61 0.69 -0.27 2.33 1.56 -1.00 -4.45 117.12 111.38 1ek4 n MET 197 Ca 0.20 0.27 0.00 0.00 -0.27 0.00 0.00 57.70 57.90 1ek4 n MET 197 Cb 0.57 -1.64 0.21 0.00 2.15 0.00 0.00 33.22 34.51 1ek4 n MET 197 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 1ek4 h ALA 198 N -0.10 1.42 -0.34 -5.12 0.00 -0.98 -2.79 119.26 111.34 1ek4 h ALA 198 Ca -0.48 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.43 1ek4 h ALA 198 Cb 1.88 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 19.32 1ek4 h ALA 198 CO -0.04 0.53 0.23 0.00 0.00 0.00 0.00 179.25 179.98 1ek4 h GLU 200 N 0.22 0.01 0.17 0.00 3.07 -1.73 0.30 114.58 116.62 1ek4 h GLU 200 Ca 0.15 -0.00 -0.30 0.00 -0.50 0.00 0.00 59.36 58.71 1ek4 h GLU 200 Cb 0.32 -0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.25 1ek4 h GLU 200 CO -0.03 0.29 -1.32 0.74 -1.40 0.00 0.00 179.01 177.29 1ek4 h PHE 201 N 0.01 0.76 -0.55 4.33 0.04 -1.31 -3.12 116.94 117.10 1ek4 h PHE 201 Ca -0.00 -0.53 -0.08 0.00 2.80 0.00 0.00 57.97 60.15 1ek4 h PHE 201 Cb 0.50 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.59 1ek4 h PHE 201 CO 0.00 1.41 0.00 0.22 -0.60 0.00 0.00 178.31 179.34 1ek4 h ASP 202 N 0.14 0.91 0.27 2.17 1.82 -1.12 -1.24 116.42 119.36 1ek4 h ASP 202 Ca -0.18 -0.24 -0.01 0.00 -0.39 0.00 0.00 57.03 56.21 1ek4 h ASP 202 Cb 2.02 -0.24 -0.00 0.00 0.68 0.00 0.00 39.33 41.79 1ek4 h ASP 202 CO 0.23 0.96 -0.05 0.00 -1.61 0.00 0.00 179.24 178.78 1ek4 h ALA 203 N 1.13 1.22 -0.62 -0.78 0.00 -0.96 0.07 119.26 119.33 1ek4 h ALA 203 Ca 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ek4 h ALA 203 Cb 0.50 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1ek4 h ALA 203 CO 0.02 0.06 0.00 0.00 0.00 0.00 0.00 179.25 179.33 1ek4 n MET 204 N -3.47 3.05 -2.58 0.00 0.00 -0.93 -4.96 117.12 108.24 1ek4 n MET 204 Ca -0.02 -2.62 -0.18 0.00 0.00 0.00 0.00 57.70 54.88 1ek4 n MET 204 Cb 0.17 -1.61 0.01 0.00 0.00 0.00 0.00 33.22 31.78 1ek4 n MET 204 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1ek4 n GLY 205 N 1.21 -0.36 0.04 3.17 0.00 0.01 -4.93 105.19 104.34 1ek4 n GLY 205 Ca 0.22 -0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1ek4 n GLY 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ek4 n ALA 206 N -2.48 3.27 -2.83 4.61 0.00 -0.51 -4.93 120.51 117.64 1ek4 n ALA 206 Ca -0.16 -0.35 -0.31 0.00 0.00 0.00 0.00 53.44 52.61 1ek4 n ALA 206 Cb 0.64 -1.04 -0.04 0.00 0.00 0.00 0.00 19.45 19.00 1ek4 n ALA 206 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ek4 s LEU 207 N -3.94 4.33 0.29 0.00 1.43 -1.26 -1.59 118.68 117.95 1ek4 s LEU 207 Ca 0.05 0.39 -0.29 0.00 -1.03 0.00 0.00 54.13 53.24 1ek4 s LEU 207 Cb 0.14 -3.04 -0.10 0.00 0.03 0.00 0.00 46.19 43.22 1ek4 s LEU 207 CO 0.77 0.14 1.44 -0.55 0.23 0.00 0.00 176.35 178.38 1ek4 s SER 208 N -2.42 6.60 0.00 2.29 0.15 -0.62 -4.65 113.70 115.05 1ek4 s SER 208 Ca 0.36 2.76 0.00 0.00 0.70 0.00 0.00 55.95 59.78 1ek4 s SER 208 Cb -0.13 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 1ek4 s SER 208 CO 0.26 -0.72 0.00 0.35 1.20 0.00 0.00 173.24 174.33 1ek4 n THR 209 N 1.69 0.00 1.45 6.45 -2.24 -1.26 -4.38 114.28 115.99 1ek4 n THR 209 Ca 0.05 -0.13 0.14 0.00 -2.27 0.00 0.00 64.05 61.84 1ek4 n THR 209 Cb 0.40 0.88 0.55 0.00 -2.10 0.00 0.00 70.33 70.06 1ek4 n THR 209 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1ek4 n LYS 210 N -0.31 1.05 -0.79 -0.78 5.02 -1.26 -4.25 118.16 116.84 1ek4 n LYS 210 Ca 0.00 -0.50 0.06 0.00 -2.02 0.00 0.00 58.31 55.85 1ek4 n LYS 210 Cb 0.00 -1.49 0.15 0.00 -0.02 0.00 0.00 35.03 33.67 1ek4 n LYS 210 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1ek4 n TYR 211 N -0.54 0.00 0.29 2.13 4.02 -1.26 -4.79 117.16 117.02 1ek4 n TYR 211 Ca 0.16 -1.15 0.14 0.00 -0.01 0.00 0.00 57.90 57.04 1ek4 n TYR 211 Cb 0.30 -0.21 0.88 0.00 -0.02 0.00 0.00 39.34 40.29 1ek4 n TYR 211 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 1ek4 h ASN 212 N 0.89 0.00 1.19 7.72 2.35 -1.93 -0.98 115.58 124.82 1ek4 h ASN 212 Ca -0.06 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.63 1ek4 h ASN 212 Cb 1.25 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.61 1ek4 h ASN 212 CO 0.03 0.01 -0.31 0.44 -1.65 0.00 0.00 177.43 175.94 1ek4 h ASP 213 N 0.00 0.00 -2.14 5.81 3.32 -1.94 -3.35 116.42 118.12 1ek4 h ASP 213 Ca -0.00 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.47 1ek4 h ASP 213 Cb 0.02 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.17 1ek4 h ASP 213 CO 0.00 0.31 -0.90 0.35 -1.72 0.00 0.00 179.24 177.28 1ek4 n THR 214 N -3.33 0.43 -0.34 0.35 -2.24 -0.38 -5.01 114.28 103.75 1ek4 n THR 214 Ca 0.01 -4.43 0.01 0.00 -2.27 0.00 0.00 64.05 57.37 1ek4 n THR 214 Cb 0.54 -2.00 0.06 0.00 -2.10 0.00 0.00 70.33 66.84 1ek4 n THR 214 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 1ek4 n PRO 215 N 1.33 -0.18 0.02 -0.78 -0.02 -1.16 -0.79 135.00 133.42 1ek4 n PRO 215 Ca 0.25 1.40 0.03 0.00 -2.02 0.00 0.00 63.50 63.16 1ek4 n PRO 215 Cb 0.48 -2.09 0.13 0.00 -0.02 0.00 0.00 33.50 32.00 1ek4 n PRO 215 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1ek4 n GLU 216 N -5.37 0.02 0.00 -0.52 1.02 -1.26 -1.81 120.64 112.72 1ek4 n GLU 216 Ca 0.11 0.46 0.07 0.00 -0.02 0.00 0.00 57.16 57.78 1ek4 n GLU 216 Cb 0.39 -1.55 0.02 0.00 -0.02 0.00 0.00 31.44 30.28 1ek4 n GLU 216 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1ek4 n LYS 217 N -1.59 1.50 -0.07 3.49 5.02 0.03 -4.61 118.16 121.93 1ek4 n LYS 217 Ca 0.01 -0.98 -0.10 0.00 -2.02 0.00 0.00 58.31 55.22 1ek4 n LYS 217 Cb 0.04 -1.23 -0.03 0.00 -0.02 0.00 0.00 35.03 33.79 1ek4 n LYS 217 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ek4 h ALA 218 N 2.53 0.31 -2.13 7.82 0.00 -1.33 -3.39 119.26 123.06 1ek4 h ALA 218 Ca 0.00 -0.09 -0.60 0.00 0.00 0.00 0.00 54.91 54.23 1ek4 h ALA 218 Cb 0.51 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.11 1ek4 h ALA 218 CO 0.00 -0.14 0.52 0.45 0.00 0.00 0.00 179.25 180.08 1ek4 s SER 219 N -5.58 6.69 -0.40 0.00 0.15 -1.26 -4.76 113.70 108.54 1ek4 s SER 219 Ca -0.13 0.66 0.10 0.00 0.70 0.00 0.00 55.95 57.27 1ek4 s SER 219 Cb 0.08 -2.44 0.34 0.00 -1.71 0.00 0.00 66.02 62.29 1ek4 s SER 219 CO 0.71 -0.74 0.86 -2.11 1.20 0.00 0.00 173.24 173.16 1ek4 n ARG 220 N 6.48 0.98 -1.54 5.44 1.85 -1.26 -4.68 116.66 123.93 1ek4 n ARG 220 Ca 0.06 -2.88 -0.55 0.00 -1.00 0.00 0.00 57.85 53.48 1ek4 n ARG 220 Cb 0.48 -1.47 -0.07 0.00 -1.05 0.00 0.00 32.46 30.35 1ek4 n ARG 220 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 1ek4 n THR 221 N 0.34 0.15 -0.19 8.89 -1.04 -1.26 -1.13 114.28 120.04 1ek4 n THR 221 Ca 0.18 -0.04 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 1ek4 n THR 221 Cb 0.67 -0.42 0.00 0.00 -1.82 0.00 0.00 70.33 68.76 1ek4 n THR 221 CO 0.00 0.00 0.00 -1.22 -0.64 0.00 0.00 175.07 173.21 1ek4 n TYR 222 N 1.88 0.00 -2.50 -1.42 4.01 -1.26 -4.76 117.16 113.11 1ek4 n TYR 222 Ca 0.19 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.52 1ek4 n TYR 222 Cb 0.15 -0.11 -0.04 0.00 -0.31 0.00 0.00 39.34 39.03 1ek4 n TYR 222 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1ek4 s ASP 223 N -3.62 7.27 0.60 7.72 2.15 -0.28 -1.51 116.67 128.99 1ek4 s ASP 223 Ca 0.00 2.16 0.29 0.00 0.43 0.00 0.00 52.55 55.43 1ek4 s ASP 223 Cb 0.00 -2.61 1.59 0.00 -0.30 0.00 0.00 42.92 41.60 1ek4 s ASP 223 CO 0.00 -0.19 1.99 0.00 -0.17 0.00 0.00 175.17 176.80 1ek4 h ALA 224 N 4.61 1.87 -0.49 3.66 0.00 -0.72 -2.31 119.26 125.88 1ek4 h ALA 224 Ca -0.45 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.25 1ek4 h ALA 224 Cb 1.21 0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.90 1ek4 h ALA 224 CO 0.70 -0.48 0.10 0.72 0.00 0.00 0.00 179.25 180.30 1ek4 n HIS 225 N -3.60 1.56 -1.94 0.00 8.25 -1.26 -5.01 115.22 113.22 1ek4 n HIS 225 Ca 0.04 -1.42 -0.35 0.00 -0.26 0.00 0.00 57.72 55.73 1ek4 n HIS 225 Cb 0.48 -0.55 0.04 0.00 1.12 0.00 0.00 29.99 31.07 1ek4 n HIS 225 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1ek4 s ARG 226 N -3.13 2.91 -0.15 -0.41 1.70 -0.87 -4.98 118.95 114.01 1ek4 s ARG 226 Ca 0.48 1.68 0.22 0.00 -0.47 0.00 0.00 55.73 57.64 1ek4 s ARG 226 Cb 0.41 -1.94 0.44 0.00 -0.57 0.00 0.00 34.95 33.30 1ek4 s ARG 226 CO 0.05 -1.22 1.16 -0.40 -1.08 0.00 0.00 175.30 173.81 1ek4 n ASP 227 N -1.84 0.98 0.00 -2.89 5.75 -1.25 -4.67 116.55 112.62 1ek4 n ASP 227 Ca 0.13 -2.03 0.00 0.00 -0.01 0.00 0.00 54.79 52.88 1ek4 n ASP 227 Cb 0.50 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.31 1ek4 n ASP 227 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ek4 n GLY 228 N -0.23 3.11 3.93 6.12 0.00 -0.78 -3.67 105.19 113.67 1ek4 n GLY 228 Ca 0.03 -1.99 -0.26 0.00 0.00 0.00 0.00 46.02 43.80 1ek4 n GLY 228 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ek4 s PHE 229 N -2.59 3.16 -0.24 1.61 -0.12 -0.62 -3.75 117.98 115.43 1ek4 s PHE 229 Ca 0.00 0.52 -0.07 0.00 -0.05 0.00 0.00 56.93 57.34 1ek4 s PHE 229 Cb 0.00 -2.79 -0.03 0.00 -0.63 0.00 0.00 43.02 39.57 1ek4 s PHE 229 CO 0.00 -0.90 0.05 0.08 -0.05 0.00 0.00 175.22 174.39 1ek4 s VAL 230 N -2.99 4.14 0.39 -2.49 1.01 -1.26 -1.59 120.40 117.61 1ek4 s VAL 230 Ca 0.55 -0.23 -0.25 0.00 0.00 0.00 0.00 61.98 62.04 1ek4 s VAL 230 Cb -0.11 -2.92 -0.09 0.00 0.00 0.00 0.00 36.38 33.27 1ek4 s VAL 230 CO 0.44 0.36 1.15 -0.51 0.00 0.00 0.00 175.10 176.54 1ek4 s ILE 231 N 1.53 3.26 0.25 2.22 2.07 -1.26 0.78 121.20 130.04 1ek4 s ILE 231 Ca 0.06 1.06 -0.04 0.00 -1.41 0.00 0.00 60.65 60.31 1ek4 s ILE 231 Cb -0.15 -3.59 -0.02 0.00 0.13 0.00 0.00 42.46 38.83 1ek4 s ILE 231 CO 0.02 0.10 0.31 0.00 -1.91 0.00 0.00 174.94 173.46 1ek4 s ALA 232 N -1.43 0.70 0.35 1.50 0.00 0.29 -0.99 121.76 122.19 1ek4 s ALA 232 Ca 0.56 -1.43 0.05 0.00 0.00 0.00 0.00 51.96 51.14 1ek4 s ALA 232 Cb -0.30 1.26 -0.02 0.00 0.00 0.00 0.00 23.12 24.06 1ek4 s ALA 232 CO 0.37 -0.71 0.19 0.41 0.00 0.00 0.00 175.76 176.02 1ek4 n GLY 233 N -0.38 3.15 0.00 0.00 0.00 -0.88 -4.19 105.19 102.90 1ek4 n GLY 233 Ca 0.01 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 44.03 1ek4 n GLY 233 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ek4 n GLY 234 N -0.61 0.87 3.64 -0.02 0.00 -0.80 -4.36 105.19 103.91 1ek4 n GLY 234 Ca 0.00 -1.97 -0.10 0.00 0.00 0.00 0.00 46.02 43.95 1ek4 n GLY 234 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ek4 s GLY 235 N 0.00 0.64 -0.13 -0.02 0.00 -0.02 -1.14 107.32 106.65 1ek4 s GLY 235 Ca 0.00 -0.92 -0.30 0.00 0.00 0.00 0.00 44.72 43.49 1ek4 s GLY 235 CO 0.00 -0.59 0.92 -0.32 0.00 0.00 0.00 173.10 173.11 1ek4 s GLY 236 N -3.06 -0.35 -0.09 0.20 0.00 -0.52 -2.11 107.32 101.38 1ek4 s GLY 236 Ca 0.22 1.83 -0.15 0.00 0.00 0.00 0.00 44.72 46.62 1ek4 s GLY 236 CO 0.12 1.00 0.37 1.06 0.00 0.00 0.00 173.10 175.64 1ek4 s MET 237 N -1.18 0.55 0.05 2.90 -1.94 -0.50 -1.42 119.30 117.76 1ek4 s MET 237 Ca -0.04 0.27 0.04 0.00 -1.71 0.00 0.00 55.69 54.25 1ek4 s MET 237 Cb -0.00 0.26 -0.03 0.00 2.01 0.00 0.00 34.83 37.07 1ek4 s MET 237 CO 0.03 -0.11 -0.11 0.14 -0.01 0.00 0.00 175.02 174.96 1ek4 s VAL 238 N -0.39 0.82 -0.45 -6.03 -7.23 -0.01 -0.78 120.40 106.32 1ek4 s VAL 238 Ca -0.05 -1.14 -0.18 0.00 -1.81 0.00 0.00 61.98 58.80 1ek4 s VAL 238 Cb -0.03 -0.82 0.04 0.00 0.56 0.00 0.00 36.38 36.12 1ek4 s VAL 238 CO 0.02 -0.27 0.49 -0.69 -0.31 0.00 0.00 175.10 174.35 1ek4 s VAL 239 N -1.25 5.03 -0.17 1.32 1.01 0.03 -1.63 120.40 124.75 1ek4 s VAL 239 Ca -0.05 -0.43 -0.18 0.00 0.00 0.00 0.00 61.98 61.32 1ek4 s VAL 239 Cb -0.10 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1ek4 s VAL 239 CO 0.01 -0.55 0.49 -0.69 0.00 0.00 0.00 175.10 174.36 1ek4 s VAL 240 N 2.26 5.15 0.03 2.92 1.01 -0.48 -1.55 120.40 129.73 1ek4 s VAL 240 Ca 0.13 0.93 0.01 0.00 0.00 0.00 0.00 61.98 63.04 1ek4 s VAL 240 Cb -0.18 -3.82 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 1ek4 s VAL 240 CO 0.13 0.25 -0.05 -0.70 0.00 0.00 0.00 175.10 174.73 1ek4 s GLU 241 N 1.18 0.39 0.28 2.72 2.12 0.32 -0.64 118.70 125.07 1ek4 s GLU 241 Ca 0.24 -0.67 -0.29 0.00 0.36 0.00 0.00 54.97 54.61 1ek4 s GLU 241 Cb -0.15 -0.02 -0.10 0.00 0.26 0.00 0.00 34.13 34.12 1ek4 s GLU 241 CO 0.10 -0.02 1.28 -2.00 -0.54 0.00 0.00 175.26 174.08 1ek4 s GLU 242 N -1.53 4.41 0.12 4.30 -6.30 -0.26 -0.70 118.70 118.73 1ek4 s GLU 242 Ca -0.14 2.11 -0.28 0.00 -2.50 0.00 0.00 54.97 54.16 1ek4 s GLU 242 Cb -0.10 -3.13 -0.07 0.00 0.00 0.00 0.00 34.13 30.84 1ek4 s GLU 242 CO -0.01 -0.15 1.61 1.25 0.02 0.00 0.00 175.26 177.98 1ek4 h LEU 243 N 4.08 -1.01 -1.21 2.70 5.85 -1.41 -1.94 115.31 122.36 1ek4 h LEU 243 Ca -0.47 0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.40 1ek4 h LEU 243 Cb 1.22 0.39 -0.05 0.00 0.37 0.00 0.00 40.66 42.60 1ek4 h LEU 243 CO 0.69 -0.41 0.54 -0.33 -0.34 0.00 0.00 178.44 178.59 1ek4 h GLU 244 N -0.53 1.00 -0.56 1.25 4.39 -1.93 -0.61 114.58 117.59 1ek4 h GLU 244 Ca 0.05 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 1ek4 h GLU 244 Cb 0.59 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 1ek4 h GLU 244 CO -0.24 0.66 0.11 1.25 -1.16 0.00 0.00 179.01 179.63 1ek4 h HIS 245 N 1.03 0.92 -0.13 4.33 2.76 -1.88 -1.19 115.15 120.99 1ek4 h HIS 245 Ca 0.32 -0.10 -0.11 0.00 -2.20 0.00 0.00 60.37 58.29 1ek4 h HIS 245 Cb 0.02 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 28.72 1ek4 h HIS 245 CO -0.00 0.78 -0.33 0.00 -1.30 0.00 0.00 177.93 177.08 1ek4 h ALA 246 N 1.27 0.21 -0.62 5.26 0.00 -0.54 -3.15 119.26 121.70 1ek4 h ALA 246 Ca 0.18 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1ek4 h ALA 246 Cb 0.34 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1ek4 h ALA 246 CO 0.00 0.26 0.39 -0.07 0.00 0.00 0.00 179.25 179.84 1ek4 h LEU 247 N 0.04 0.72 -2.14 0.00 3.38 -0.99 -2.03 115.31 114.30 1ek4 h LEU 247 Ca -0.01 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1ek4 h LEU 247 Cb 0.94 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.51 1ek4 h LEU 247 CO 0.07 0.54 -0.05 0.00 0.09 0.00 0.00 178.44 179.09 1ek4 h ALA 248 N 1.21 1.58 -0.63 1.53 0.00 -1.26 -2.13 119.26 119.56 1ek4 h ALA 248 Ca 0.22 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1ek4 h ALA 248 Cb -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1ek4 h ALA 248 CO -0.05 0.07 0.00 2.89 0.00 0.00 0.00 179.25 182.16 1ek4 n ARG 249 N -4.00 2.99 -2.87 0.00 1.85 -1.02 -4.95 116.66 108.67 1ek4 n ARG 249 Ca -0.03 -2.61 -0.21 0.00 -1.00 0.00 0.00 57.85 54.00 1ek4 n ARG 249 Cb 0.14 -1.60 0.03 0.00 -1.05 0.00 0.00 32.46 29.98 1ek4 n ARG 249 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1ek4 n GLY 250 N 1.27 -0.44 3.77 2.89 0.00 -0.80 -4.97 105.19 106.91 1ek4 n GLY 250 Ca 0.22 0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.97 1ek4 n GLY 250 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ek4 s ALA 251 N -3.11 2.44 -0.17 4.61 0.00 -0.79 -5.00 121.76 119.74 1ek4 s ALA 251 Ca 0.24 0.45 -0.22 0.00 0.00 0.00 0.00 51.96 52.43 1ek4 s ALA 251 Cb -0.10 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 1ek4 s ALA 251 CO 0.29 -1.36 0.67 -1.58 0.00 0.00 0.00 175.76 173.78 1ek4 s HIS 252 N -2.51 3.42 -0.27 0.00 5.65 -1.26 -4.87 115.29 115.45 1ek4 s HIS 252 Ca 0.65 1.04 -0.07 0.00 0.25 0.00 0.00 55.06 56.93 1ek4 s HIS 252 Cb -0.19 -2.83 -0.02 0.00 -1.18 0.00 0.00 32.58 28.36 1ek4 s HIS 252 CO 0.45 -0.13 0.07 0.42 -0.65 0.00 0.00 174.74 174.91 1ek4 s ILE 253 N 1.72 4.20 0.02 0.89 1.01 -1.26 -4.41 121.20 123.36 1ek4 s ILE 253 Ca 0.32 -0.34 -0.20 0.00 0.00 0.00 0.00 60.65 60.42 1ek4 s ILE 253 Cb -0.16 -3.03 -0.19 0.00 0.01 0.00 0.00 42.46 39.09 1ek4 s ILE 253 CO 0.12 0.25 1.21 1.88 0.00 0.00 0.00 174.94 178.40 1ek4 h TYR 254 N 8.24 0.52 -1.46 3.97 0.05 -1.69 -3.47 116.97 123.14 1ek4 h TYR 254 Ca -0.36 -0.22 0.31 0.00 0.05 0.00 0.00 58.73 58.50 1ek4 h TYR 254 Cb 1.16 -0.08 -0.14 0.00 1.01 0.00 0.00 36.73 38.68 1ek4 h TYR 254 CO 0.65 0.96 0.82 0.00 -1.05 0.00 0.00 178.16 179.54 1ek4 s ALA 255 N -3.70 -2.19 -0.05 3.88 0.00 -1.25 -4.74 121.76 113.72 1ek4 s ALA 255 Ca -0.14 0.95 -0.03 0.00 0.00 0.00 0.00 51.96 52.74 1ek4 s ALA 255 Cb 0.04 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.35 1ek4 s ALA 255 CO 0.79 -0.92 0.11 -2.00 0.00 0.00 0.00 175.76 173.73 1ek4 s GLU 256 N -2.43 3.25 -0.54 0.00 2.12 0.89 -1.22 118.70 120.77 1ek4 s GLU 256 Ca 0.13 -0.33 -0.21 0.00 0.36 0.00 0.00 54.97 54.91 1ek4 s GLU 256 Cb 0.03 -3.00 0.05 0.00 0.26 0.00 0.00 34.13 31.48 1ek4 s GLU 256 CO -0.04 0.70 0.79 0.42 -0.54 0.00 0.00 175.26 176.59 1ek4 s ILE 257 N -1.13 4.63 -2.07 -3.70 1.01 -0.14 -0.88 121.20 118.92 1ek4 s ILE 257 Ca 0.20 -0.20 0.23 0.00 0.00 0.00 0.00 60.65 60.88 1ek4 s ILE 257 Cb -0.12 -4.44 0.05 0.00 0.01 0.00 0.00 42.46 37.96 1ek4 s ILE 257 CO 0.10 -1.01 1.17 1.33 0.00 0.00 0.00 174.94 176.54 1ek4 n VAL 258 N 5.87 0.00 -3.63 2.92 0.24 -0.62 -4.60 118.33 118.50 1ek4 n VAL 258 Ca -0.03 -0.26 -0.14 0.00 -2.04 0.00 0.00 64.34 61.87 1ek4 n VAL 258 Cb 0.46 1.15 -0.07 0.00 -1.47 0.00 0.00 33.84 33.90 1ek4 n VAL 258 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ek4 s GLY 259 N -2.44 -0.49 -0.15 7.63 0.00 -1.10 -4.80 107.32 105.97 1ek4 s GLY 259 Ca 0.20 1.69 -0.05 0.00 0.00 0.00 0.00 44.72 46.56 1ek4 s GLY 259 CO 0.55 1.42 0.28 -0.47 0.00 0.00 0.00 173.10 174.88 1ek4 s TYR 260 N 0.02 -0.47 -0.05 1.90 5.04 -1.26 -1.17 117.35 121.37 1ek4 s TYR 260 Ca -0.02 0.97 0.05 0.00 -2.44 0.00 0.00 57.07 55.62 1ek4 s TYR 260 Cb -0.04 -0.02 -0.02 0.00 0.35 0.00 0.00 41.96 42.23 1ek4 s TYR 260 CO 0.03 -0.40 -0.18 0.20 -1.34 0.00 0.00 175.55 173.85 1ek4 s GLY 261 N 2.44 1.44 -0.15 8.97 0.00 0.39 -4.45 107.32 115.97 1ek4 s GLY 261 Ca 0.02 -1.02 -0.04 0.00 0.00 0.00 0.00 44.72 43.68 1ek4 s GLY 261 CO -0.09 -0.78 0.17 0.00 0.00 0.00 0.00 173.10 172.40 1ek4 s ALA 262 N -0.61 -0.08 0.35 3.20 0.00 -1.26 -1.04 121.76 122.32 1ek4 s ALA 262 Ca 0.09 0.24 0.06 0.00 0.00 0.00 0.00 51.96 52.35 1ek4 s ALA 262 Cb -0.11 -1.08 -0.03 0.00 0.00 0.00 0.00 23.12 21.91 1ek4 s ALA 262 CO 0.00 -0.97 0.24 0.95 0.00 0.00 0.00 175.76 175.98 1ek4 s THR 263 N 2.27 0.15 0.02 0.00 -4.23 -0.89 -5.00 115.64 107.96 1ek4 s THR 263 Ca 0.04 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.58 1ek4 s THR 263 Cb -0.14 -2.45 -0.01 0.00 1.34 0.00 0.00 72.50 71.23 1ek4 s THR 263 CO -0.09 0.00 -0.08 -0.55 -0.54 0.00 0.00 174.62 173.35 1ek4 s SER 264 N -3.43 0.97 -0.03 3.99 0.15 -1.26 -1.13 113.70 112.95 1ek4 s SER 264 Ca 0.36 -0.32 -0.21 0.00 0.70 0.00 0.00 55.95 56.48 1ek4 s SER 264 Cb 0.02 -0.05 -0.31 0.00 -1.71 0.00 0.00 66.02 63.97 1ek4 s SER 264 CO 0.24 -0.02 0.94 0.44 1.20 0.00 0.00 173.24 176.04 1ek4 h ASP 265 N 5.32 0.52 -5.44 5.45 3.32 -1.09 -3.44 116.42 121.07 1ek4 h ASP 265 Ca -0.33 -0.93 -0.36 0.00 0.02 0.00 0.00 57.03 55.43 1ek4 h ASP 265 Cb 1.19 -0.17 0.13 0.00 0.22 0.00 0.00 39.33 40.70 1ek4 h ASP 265 CO 0.46 1.41 -0.62 0.61 -1.72 0.00 0.00 179.24 179.37 1ek4 n GLY 266 N 1.59 -0.42 0.00 2.75 0.00 -1.26 -4.88 105.19 102.97 1ek4 n GLY 266 Ca -0.14 0.18 0.00 0.00 0.00 0.00 0.00 46.02 46.06 1ek4 n GLY 266 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ek4 n ALA 267 N -4.78 1.14 -2.83 4.61 0.00 -1.26 -5.13 120.51 112.26 1ek4 n ALA 267 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1ek4 n ALA 267 Cb 0.56 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.95 1ek4 n ALA 267 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ek4 s ASP 268 N 1.00 5.94 0.20 0.00 2.15 -1.26 -5.03 116.67 119.67 1ek4 s ASP 268 Ca 0.00 0.21 -0.04 0.00 0.43 0.00 0.00 52.55 53.14 1ek4 s ASP 268 Cb 0.00 -1.76 0.13 0.00 -0.30 0.00 0.00 42.92 40.99 1ek4 s ASP 268 CO 0.00 0.26 1.56 -0.03 -0.17 0.00 0.00 175.17 176.78 1ek4 h MET 269 N 3.89 0.69 0.00 4.34 -1.53 -1.99 -3.33 114.93 117.00 1ek4 h MET 269 Ca -0.49 -0.35 -0.12 0.00 -3.44 0.00 0.00 59.70 55.30 1ek4 h MET 269 Cb 1.18 0.01 -0.02 0.00 -0.55 0.00 0.00 31.60 32.22 1ek4 h MET 269 CO 0.65 0.96 -1.47 0.28 0.14 0.00 0.00 176.91 177.48 1ek4 n VAL 270 N -4.04 0.47 -3.84 -5.77 0.31 -1.26 0.22 118.33 104.43 1ek4 n VAL 270 Ca -0.02 -0.25 -0.34 0.00 -0.01 0.00 0.00 64.34 63.73 1ek4 n VAL 270 Cb 0.52 -0.82 -0.05 0.00 -0.91 0.00 0.00 33.84 32.59 1ek4 n VAL 270 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ek4 s ALA 271 N -2.17 3.91 0.46 3.52 0.00 -1.26 -4.74 121.76 121.48 1ek4 s ALA 271 Ca -0.06 -0.68 -0.21 0.00 0.00 0.00 0.00 51.96 51.00 1ek4 s ALA 271 Cb 0.02 -1.96 -0.09 0.00 0.00 0.00 0.00 23.12 21.09 1ek4 s ALA 271 CO 0.25 0.71 1.03 -1.25 0.00 0.00 0.00 175.76 176.50 1ek4 s PRO 272 N -1.95 3.93 0.23 0.00 0.04 -1.26 -4.27 135.00 131.72 1ek4 s PRO 272 Ca 0.29 1.37 0.22 0.00 0.04 0.00 0.00 61.00 62.92 1ek4 s PRO 272 Cb -0.13 -2.21 0.05 0.00 0.04 0.00 0.00 34.50 32.25 1ek4 s PRO 272 CO 0.19 -0.32 1.13 0.66 0.04 0.00 0.00 177.00 178.69 1ek4 h SER 273 N 1.82 0.00 0.00 6.66 4.64 -1.95 -3.48 113.55 121.23 1ek4 h SER 273 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1ek4 h SER 273 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1ek4 h SER 273 CO 0.60 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 177.22 1ek4 n GLY 274 N 1.18 1.89 0.31 -0.77 0.00 -1.26 -4.73 105.19 101.81 1ek4 n GLY 274 Ca -0.00 -0.33 -0.05 0.00 0.00 0.00 0.00 46.02 45.64 1ek4 n GLY 274 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1ek4 h GLU 275 N 0.00 1.06 -0.42 1.61 4.22 -1.93 -1.58 114.58 117.53 1ek4 h GLU 275 Ca 0.00 -0.10 -0.08 0.00 0.08 0.00 0.00 59.36 59.25 1ek4 h GLU 275 Cb 0.00 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 1ek4 h GLU 275 CO 0.00 0.75 -0.08 0.78 -2.18 0.00 0.00 179.01 178.28 1ek4 h GLY 276 N 1.06 0.79 1.31 1.92 0.00 -1.85 -2.45 103.07 103.86 1ek4 h GLY 276 Ca 0.28 -0.57 -0.09 0.00 0.00 0.00 0.00 47.33 46.95 1ek4 h GLY 276 CO -0.05 0.53 -0.07 0.00 0.00 0.00 0.00 176.54 176.95 1ek4 h ALA 277 N 1.24 1.00 0.06 3.60 0.00 -1.82 -0.54 119.26 122.79 1ek4 h ALA 277 Ca 0.12 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ek4 h ALA 277 Cb 0.54 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1ek4 h ALA 277 CO 0.03 0.60 -0.03 0.28 0.00 0.00 0.00 179.25 180.14 1ek4 h VAL 278 N 0.75 0.97 -0.67 0.00 2.07 -1.00 -0.79 116.25 117.58 1ek4 h VAL 278 Ca 0.13 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 1ek4 h VAL 278 Cb 0.55 1.05 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 1ek4 h VAL 278 CO 0.03 0.03 0.34 0.03 0.02 0.00 0.00 177.57 178.02 1ek4 h ARG 279 N -0.14 0.95 -0.19 1.57 3.08 -1.24 -1.74 114.38 116.68 1ek4 h ARG 279 Ca -0.01 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 1ek4 h ARG 279 Cb 0.11 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1ek4 h ARG 279 CO 0.01 0.72 0.03 0.00 -1.07 0.00 0.00 179.97 179.67 1ek4 h MET 281 N 0.11 0.99 -0.70 0.00 2.86 -0.98 -1.89 114.93 115.31 1ek4 h MET 281 Ca 0.06 -0.25 -0.04 0.00 -2.06 0.00 0.00 59.70 57.42 1ek4 h MET 281 Cb 0.31 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 1ek4 h MET 281 CO 0.00 0.91 0.29 0.87 1.06 0.00 0.00 176.91 180.05 1ek4 h LYS 282 N 0.90 1.03 -0.39 1.72 1.57 -1.24 -1.66 116.57 118.50 1ek4 h LYS 282 Ca 0.19 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.79 1ek4 h LYS 282 Cb 0.37 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1ek4 h LYS 282 CO 0.00 0.83 0.18 1.98 -0.57 0.00 0.00 179.45 181.88 1ek4 h MET 283 N 1.01 0.57 0.00 3.15 4.05 -0.88 -2.23 114.93 120.60 1ek4 h MET 283 Ca 0.24 -0.09 -0.04 0.00 -0.28 0.00 0.00 59.70 59.53 1ek4 h MET 283 Cb 0.17 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 30.87 1ek4 h MET 283 CO -0.02 0.52 -0.18 0.00 0.23 0.00 0.00 176.91 177.45 1ek4 h ALA 284 N 1.03 1.19 0.00 0.39 0.00 -0.96 -2.88 119.26 118.03 1ek4 h ALA 284 Ca 0.13 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ek4 h ALA 284 Cb 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ek4 h ALA 284 CO -0.02 0.23 -0.55 -1.33 0.00 0.00 0.00 179.25 177.59 1ek4 n MET 285 N -3.58 0.09 -1.68 0.00 2.00 -0.66 -4.15 117.12 109.13 1ek4 n MET 285 Ca -0.01 0.02 -0.47 0.00 0.00 0.00 0.00 57.70 57.24 1ek4 n MET 285 Cb 0.32 -1.55 -0.04 0.00 0.00 0.00 0.00 33.22 31.95 1ek4 n MET 285 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 175.97 177.55 1ek4 n HIS 286 N -1.67 2.35 -0.20 2.03 -0.00 -0.87 -1.11 115.22 115.75 1ek4 n HIS 286 Ca 0.05 0.03 0.00 0.00 0.46 0.00 0.00 57.72 58.25 1ek4 n HIS 286 Cb 0.37 -2.65 0.00 0.00 -0.12 0.00 0.00 29.99 27.59 1ek4 n HIS 286 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1ek4 n GLY 287 N 4.14 1.96 3.57 1.57 0.00 -1.26 -4.97 105.19 110.19 1ek4 n GLY 287 Ca 0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.80 1ek4 n GLY 287 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ek4 s VAL 288 N -2.98 4.48 -1.56 1.61 1.01 -0.26 -4.91 120.40 117.78 1ek4 s VAL 288 Ca 0.00 0.77 0.06 0.00 0.00 0.00 0.00 61.98 62.81 1ek4 s VAL 288 Cb 0.00 -4.43 0.21 0.00 0.00 0.00 0.00 36.38 32.16 1ek4 s VAL 288 CO 0.00 -0.82 1.05 -0.90 0.00 0.00 0.00 175.10 174.43 1ek4 n ASP 289 N 7.15 1.58 -4.34 3.32 3.85 -1.26 -4.84 116.55 122.01 1ek4 n ASP 289 Ca 0.06 -2.10 -0.24 0.00 -0.71 0.00 0.00 54.79 51.80 1ek4 n ASP 289 Cb 0.48 -0.29 -0.12 0.00 -1.35 0.00 0.00 41.12 39.85 1ek4 n ASP 289 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 1ek4 s THR 290 N -1.64 1.93 0.63 2.12 -4.23 -1.26 -5.13 115.64 108.06 1ek4 s THR 290 Ca 0.15 -1.81 -0.14 0.00 -1.18 0.00 0.00 61.69 58.71 1ek4 s THR 290 Cb 0.09 -1.82 -0.02 0.00 1.34 0.00 0.00 72.50 72.08 1ek4 s THR 290 CO 0.08 -0.16 1.05 -2.16 -0.54 0.00 0.00 174.62 172.89 1ek4 s PRO 291 N -2.43 3.24 -0.32 3.99 0.04 -1.26 -4.99 135.00 133.27 1ek4 s PRO 291 Ca 0.14 1.06 -0.27 0.00 0.04 0.00 0.00 61.00 61.96 1ek4 s PRO 291 Cb -0.08 -2.03 0.01 0.00 0.04 0.00 0.00 34.50 32.45 1ek4 s PRO 291 CO 0.06 -0.86 1.00 0.42 0.04 0.00 0.00 177.00 177.66 1ek4 s ILE 292 N -2.74 4.58 0.06 0.56 -1.09 -1.26 -4.48 121.20 116.82 1ek4 s ILE 292 Ca 0.60 1.56 -0.06 0.00 -2.23 0.00 0.00 60.65 60.53 1ek4 s ILE 292 Cb -0.14 -4.35 -0.29 0.00 -1.58 0.00 0.00 42.46 36.09 1ek4 s ILE 292 CO 0.44 -0.44 1.07 0.44 -1.23 0.00 0.00 174.94 175.22 1ek4 h ASP 293 N 8.14 0.48 -3.95 3.58 3.32 -1.25 -3.40 116.42 123.34 1ek4 h ASP 293 Ca -0.22 -0.53 -0.18 0.00 0.02 0.00 0.00 57.03 56.12 1ek4 h ASP 293 Cb 1.07 -0.16 -0.26 0.00 0.22 0.00 0.00 39.33 40.21 1ek4 h ASP 293 CO 1.00 1.42 -0.53 -0.47 -1.72 0.00 0.00 179.24 178.94 1ek4 s TYR 294 N -2.64 -0.14 -0.17 4.55 5.04 -1.19 -2.56 117.35 120.25 1ek4 s TYR 294 Ca -0.06 0.34 0.00 0.00 -2.44 0.00 0.00 57.07 54.92 1ek4 s TYR 294 Cb 0.07 0.04 0.03 0.00 0.35 0.00 0.00 41.96 42.45 1ek4 s TYR 294 CO 0.89 -0.11 -0.12 -1.17 -1.34 0.00 0.00 175.55 173.70 1ek4 s LEU 295 N -0.12 1.87 -0.53 6.97 0.20 -0.04 -1.25 118.68 125.78 1ek4 s LEU 295 Ca -0.02 -0.64 -0.21 0.00 0.69 0.00 0.00 54.13 53.94 1ek4 s LEU 295 Cb -0.02 -1.16 0.05 0.00 -0.43 0.00 0.00 46.19 44.64 1ek4 s LEU 295 CO 0.00 -0.10 0.78 0.21 -0.29 0.00 0.00 176.35 176.95 1ek4 s ASN 296 N 1.48 6.27 0.72 3.68 3.84 0.90 -3.02 114.94 128.81 1ek4 s ASN 296 Ca 0.02 -0.68 -0.11 0.00 0.21 0.00 0.00 52.86 52.31 1ek4 s ASN 296 Cb -0.14 -2.36 0.02 0.00 -0.55 0.00 0.00 41.25 38.22 1ek4 s ASN 296 CO -0.09 -1.07 1.07 -0.94 -2.79 0.00 0.00 177.10 173.27 1ek4 s SER 297 N 2.82 5.16 0.11 -4.21 1.04 -1.17 -1.85 113.70 115.59 1ek4 s SER 297 Ca 0.22 1.59 -0.15 0.00 0.48 0.00 0.00 55.95 58.09 1ek4 s SER 297 Cb -0.16 -2.43 -0.06 0.00 0.10 0.00 0.00 66.02 63.47 1ek4 s SER 297 CO 0.15 -1.58 1.49 -0.74 0.98 0.00 0.00 173.24 173.54 1ek4 h HIS 298 N -0.81 0.75 -0.43 5.02 2.76 -1.93 -3.44 115.15 117.07 1ek4 h HIS 298 Ca -0.44 -0.17 0.00 0.00 -2.20 0.00 0.00 60.37 57.56 1ek4 h HIS 298 Cb 1.22 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 30.00 1ek4 h HIS 298 CO 0.59 0.84 0.00 0.41 -1.30 0.00 0.00 177.93 178.48 1ek4 n GLY 299 N -0.13 0.00 0.11 5.26 0.00 -1.26 -4.86 105.19 104.31 1ek4 n GLY 299 Ca -0.02 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.13 1ek4 n GLY 299 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ek4 n THR 300 N 0.18 0.00 -1.86 2.61 -2.24 -1.26 -4.54 114.28 107.17 1ek4 n THR 300 Ca 0.00 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1ek4 n THR 300 Cb 0.00 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 1ek4 n THR 300 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1ek4 n SER 301 N -1.08 -1.38 -4.56 3.42 2.88 -1.26 -3.93 113.62 107.71 1ek4 n SER 301 Ca 0.10 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.33 1ek4 n SER 301 Cb 0.33 -0.39 -0.10 0.00 -0.75 0.00 0.00 64.21 63.29 1ek4 n SER 301 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1ek4 s THR 302 N -2.60 3.38 0.12 2.46 -4.23 -1.26 -1.86 115.64 111.65 1ek4 s THR 302 Ca 0.00 -1.06 -0.33 0.00 -1.18 0.00 0.00 61.69 59.12 1ek4 s THR 302 Cb 0.00 -2.52 -0.11 0.00 1.34 0.00 0.00 72.50 71.22 1ek4 s THR 302 CO 0.00 0.26 1.56 -0.65 -0.54 0.00 0.00 174.62 175.25 1ek4 h PRO 303 N 4.11 -0.52 0.04 3.99 0.11 -1.94 -2.64 132.00 135.15 1ek4 h PRO 303 Ca -0.48 0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 1ek4 h PRO 303 Cb 1.16 0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1ek4 h PRO 303 CO 0.52 -0.35 -0.02 0.28 -0.21 0.00 0.00 178.00 178.22 1ek4 h VAL 304 N -0.54 1.34 -0.43 3.15 2.07 -1.99 -3.36 116.25 116.49 1ek4 h VAL 304 Ca 0.05 -1.47 0.07 0.00 0.82 0.00 0.00 66.70 66.18 1ek4 h VAL 304 Cb 0.66 2.28 -0.06 0.00 -1.52 0.00 0.00 31.29 32.65 1ek4 h VAL 304 CO -0.45 0.36 0.06 1.23 0.02 0.00 0.00 177.57 178.78 1ek4 h GLY 305 N -0.73 0.48 0.35 2.17 0.00 -1.96 -2.38 103.07 101.01 1ek4 h GLY 305 Ca -0.01 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.39 1ek4 h GLY 305 CO 0.01 -0.07 -0.03 -0.55 0.00 0.00 0.00 176.54 175.90 1ek4 h ASP 306 N 0.18 -0.22 0.65 0.19 5.19 -1.64 -2.53 116.42 118.25 1ek4 h ASP 306 Ca 0.21 0.09 -0.15 0.00 -0.62 0.00 0.00 57.03 56.57 1ek4 h ASP 306 Cb 0.28 0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.95 1ek4 h ASP 306 CO -0.30 -0.07 -0.70 -0.37 -3.12 0.00 0.00 179.24 174.68 1ek4 h VAL 307 N 0.06 1.49 -0.76 -1.35 -1.51 -1.68 -2.74 116.25 109.75 1ek4 h VAL 307 Ca 0.18 -2.35 -0.04 0.00 -1.23 0.00 0.00 66.70 63.26 1ek4 h VAL 307 Cb 0.26 2.26 -0.03 0.00 -2.13 0.00 0.00 31.29 31.65 1ek4 h VAL 307 CO -0.33 0.67 0.30 0.11 -1.23 0.00 0.00 177.57 177.10 1ek4 h LYS 308 N 0.02 1.13 -0.38 5.19 1.79 -1.14 -0.16 116.57 123.03 1ek4 h LYS 308 Ca -0.01 -0.20 -0.12 0.00 -2.18 0.00 0.00 60.65 58.14 1ek4 h LYS 308 Cb 1.23 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 31.69 1ek4 h LYS 308 CO 0.09 0.92 -0.23 1.49 -1.08 0.00 0.00 179.45 180.64 1ek4 h GLU 309 N 1.09 0.83 -0.70 3.15 4.81 -1.43 -2.17 114.58 120.17 1ek4 h GLU 309 Ca 0.25 -0.38 0.02 0.00 -0.13 0.00 0.00 59.36 59.12 1ek4 h GLU 309 Cb 0.21 -0.01 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 1ek4 h GLU 309 CO -0.02 1.02 0.45 -0.07 -0.73 0.00 0.00 179.01 179.65 1ek4 h LEU 310 N 0.63 0.75 -0.87 1.64 3.38 -1.15 0.85 115.31 120.54 1ek4 h LEU 310 Ca 0.08 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1ek4 h LEU 310 Cb 0.80 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 1ek4 h LEU 310 CO 0.07 0.53 0.50 0.00 0.09 0.00 0.00 178.44 179.63 1ek4 h ALA 311 N 1.28 1.12 -0.52 1.53 0.00 -0.91 -0.23 119.26 121.52 1ek4 h ALA 311 Ca 0.27 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1ek4 h ALA 311 Cb -0.04 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.38 1ek4 h ALA 311 CO -0.09 0.60 0.09 0.00 0.00 0.00 0.00 179.25 179.86 1ek4 h ALA 312 N 1.27 0.69 -0.69 0.00 0.00 -0.67 -1.41 119.26 118.47 1ek4 h ALA 312 Ca 0.31 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1ek4 h ALA 312 Cb -0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1ek4 h ALA 312 CO -0.05 0.42 0.45 0.82 0.00 0.00 0.00 179.25 180.89 1ek4 h ILE 313 N 0.75 1.17 -0.57 0.00 2.04 -0.34 -1.53 117.51 119.03 1ek4 h ILE 313 Ca 0.16 -0.32 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 1ek4 h ILE 313 Cb 0.39 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 1ek4 h ILE 313 CO 0.01 0.17 0.35 -0.09 0.00 0.00 0.00 178.15 178.59 1ek4 h ARG 314 N 0.92 0.76 -0.74 2.37 2.43 -0.67 -0.99 114.38 118.46 1ek4 h ARG 314 Ca 0.25 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.35 1ek4 h ARG 314 Cb -0.10 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.25 1ek4 h ARG 314 CO -0.06 0.53 0.40 0.93 -1.51 0.00 0.00 179.97 180.26 1ek4 h GLU 315 N 0.76 1.04 -0.13 0.20 5.08 -0.75 -0.77 114.58 120.01 1ek4 h GLU 315 Ca 0.20 -0.13 -0.18 0.00 -1.00 0.00 0.00 59.36 58.26 1ek4 h GLU 315 Cb -0.04 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 29.02 1ek4 h GLU 315 CO -0.04 0.78 -0.62 0.28 -1.00 0.00 0.00 179.01 178.41 1ek4 h VAL 316 N 1.02 1.32 0.00 3.13 2.07 -0.95 -3.38 116.25 119.47 1ek4 h VAL 316 Ca 0.26 -1.88 -0.19 0.00 0.82 0.00 0.00 66.70 65.72 1ek4 h VAL 316 Cb 0.05 2.08 -0.03 0.00 -1.52 0.00 0.00 31.29 31.86 1ek4 h VAL 316 CO -0.04 0.58 -2.07 0.49 0.02 0.00 0.00 177.57 176.55 1ek4 n PHE 317 N -4.10 0.16 -4.28 1.57 3.01 -0.41 -5.08 117.46 108.32 1ek4 n PHE 317 Ca -0.08 0.05 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1ek4 n PHE 317 Cb 0.66 -0.81 0.00 0.00 -0.01 0.00 0.00 39.48 39.32 1ek4 n PHE 317 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ek4 n GLY 318 N 1.49 0.54 0.00 1.37 0.00 -0.30 -3.20 105.19 105.10 1ek4 n GLY 318 Ca -0.17 -0.87 0.06 0.00 0.00 0.00 0.00 46.02 45.03 1ek4 n GLY 318 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ek4 n ASP 319 N 1.51 0.00 -3.48 1.61 10.43 -1.26 -3.88 116.55 121.48 1ek4 n ASP 319 Ca 0.00 0.28 -0.30 0.00 2.57 0.00 0.00 54.79 57.34 1ek4 n ASP 319 Cb 0.00 -0.38 -0.06 0.00 1.84 0.00 0.00 41.12 42.52 1ek4 n ASP 319 CO 0.00 0.00 0.00 1.17 -1.07 0.00 0.00 177.20 177.30 1ek4 n LYS 320 N -1.38 3.06 -2.80 -1.24 0.00 -1.19 -5.06 118.16 109.54 1ek4 n LYS 320 Ca 0.05 -4.68 -0.31 0.00 0.00 0.00 0.00 58.31 53.37 1ek4 n LYS 320 Cb 0.12 -2.31 -0.03 0.00 0.00 0.00 0.00 35.03 32.81 1ek4 n LYS 320 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1ek4 s SER 321 N -2.45 6.55 0.83 3.14 1.04 -1.25 -4.86 113.70 116.71 1ek4 s SER 321 Ca 0.39 1.21 -0.11 0.00 0.48 0.00 0.00 55.95 57.92 1ek4 s SER 321 Cb 0.15 -2.35 0.13 0.00 0.10 0.00 0.00 66.02 64.05 1ek4 s SER 321 CO -0.01 -0.42 1.17 -2.16 0.98 0.00 0.00 173.24 172.81 1ek4 s PRO 322 N -3.83 1.44 0.30 4.02 0.04 -1.26 -4.83 135.00 130.88 1ek4 s PRO 322 Ca 0.53 -0.38 -0.29 0.00 0.04 0.00 0.00 61.00 60.90 1ek4 s PRO 322 Cb -0.10 -2.02 -0.10 0.00 0.04 0.00 0.00 34.50 32.32 1ek4 s PRO 322 CO 0.30 -1.82 1.32 0.00 0.04 0.00 0.00 177.00 176.84 1ek4 s ALA 323 N -3.56 3.52 0.02 8.56 0.00 -1.06 -4.39 121.76 124.86 1ek4 s ALA 323 Ca 0.67 1.23 0.05 0.00 0.00 0.00 0.00 51.96 53.92 1ek4 s ALA 323 Cb -0.07 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.55 1ek4 s ALA 323 CO 0.49 -0.62 -0.16 0.42 0.00 0.00 0.00 175.76 175.89 1ek4 s ILE 324 N -0.81 1.25 -0.24 0.00 1.01 0.68 -0.86 121.20 122.23 1ek4 s ILE 324 Ca 0.51 -0.92 -0.22 0.00 0.00 0.00 0.00 60.65 60.02 1ek4 s ILE 324 Cb -0.39 -1.09 0.06 0.00 0.01 0.00 0.00 42.46 41.05 1ek4 s ILE 324 CO 0.49 0.16 0.65 -0.94 0.00 0.00 0.00 174.94 175.29 1ek4 s SER 325 N -0.88 -0.69 -0.45 3.58 1.04 -1.17 -0.89 113.70 114.24 1ek4 s SER 325 Ca 0.04 1.31 -0.11 0.00 0.48 0.00 0.00 55.95 57.67 1ek4 s SER 325 Cb -0.07 1.32 0.09 0.00 0.10 0.00 0.00 66.02 67.46 1ek4 s SER 325 CO 0.01 -0.23 0.33 0.00 0.98 0.00 0.00 173.24 174.34 1ek4 s ALA 326 N 0.41 3.41 -0.78 5.32 0.00 -1.26 -3.06 121.76 125.80 1ek4 s ALA 326 Ca -0.01 -2.25 0.18 0.00 0.00 0.00 0.00 51.96 49.88 1ek4 s ALA 326 Cb -0.05 -2.85 0.75 0.00 0.00 0.00 0.00 23.12 20.97 1ek4 s ALA 326 CO -0.00 -1.75 1.55 0.25 0.00 0.00 0.00 175.76 175.80 1ek4 n THR 327 N 5.02 0.97 0.30 0.00 -2.24 -1.26 -2.35 114.28 114.73 1ek4 n THR 327 Ca -0.11 0.26 0.15 0.00 -2.27 0.00 0.00 64.05 62.09 1ek4 n THR 327 Cb 0.42 -1.10 0.70 0.00 -2.10 0.00 0.00 70.33 68.25 1ek4 n THR 327 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1ek4 h LYS 328 N 0.00 0.00 -0.00 -0.78 1.57 -1.82 -0.53 116.57 115.01 1ek4 h LYS 328 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1ek4 h LYS 328 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1ek4 h LYS 328 CO 0.00 0.00 -0.26 0.00 -0.57 0.00 0.00 179.45 178.62 1ek4 h ALA 329 N 2.09 1.56 0.02 3.86 0.00 -1.74 0.10 119.26 125.15 1ek4 h ALA 329 Ca 0.00 -0.24 -0.29 0.00 0.00 0.00 0.00 54.91 54.38 1ek4 h ALA 329 Cb 0.26 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 1ek4 h ALA 329 CO 0.00 0.33 -1.58 -1.33 0.00 0.00 0.00 179.25 176.67 1ek4 n MET 330 N -4.22 0.60 0.09 0.00 2.81 -0.33 -4.61 117.12 111.44 1ek4 n MET 330 Ca -0.02 0.48 0.06 0.00 -1.81 0.00 0.00 57.70 56.41 1ek4 n MET 330 Cb 0.32 -1.70 -0.02 0.00 -0.71 0.00 0.00 33.22 31.11 1ek4 n MET 330 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 1ek4 h THR 331 N -0.84 0.27 0.00 2.03 1.35 -1.21 0.31 112.91 114.82 1ek4 h THR 331 Ca -0.42 -1.50 0.00 0.00 -0.55 0.00 0.00 66.41 63.94 1ek4 h THR 331 Cb 1.46 1.82 0.00 0.00 -1.73 0.00 0.00 68.15 69.71 1ek4 h THR 331 CO -0.20 0.15 0.00 0.61 -0.25 0.00 0.00 175.52 175.83 1ek4 n GLY 332 N 1.27 -0.61 3.38 5.82 0.00 0.35 -4.59 105.19 110.81 1ek4 n GLY 332 Ca -0.03 -1.76 -0.44 0.00 0.00 0.00 0.00 46.02 43.79 1ek4 n GLY 332 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ek4 s HIS 333 N -1.09 3.26 -1.12 1.61 2.46 0.23 -4.64 115.29 116.00 1ek4 s HIS 333 Ca 0.00 -0.96 0.05 0.00 0.47 0.00 0.00 55.06 54.62 1ek4 s HIS 333 Cb 0.00 -3.04 0.22 0.00 -0.13 0.00 0.00 32.58 29.63 1ek4 s HIS 333 CO 0.00 -0.77 0.94 -1.13 -2.47 0.00 0.00 174.74 171.31 1ek4 n SER 334 N 5.15 2.04 0.00 9.88 3.41 -1.26 -0.55 113.62 132.29 1ek4 n SER 334 Ca -0.12 -2.20 0.00 0.00 -0.26 0.00 0.00 58.87 56.30 1ek4 n SER 334 Cb 0.44 -0.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1ek4 n SER 334 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1ek4 n LEU 335 N 0.17 0.00 0.28 1.04 4.77 -1.26 -1.38 117.00 120.61 1ek4 n LEU 335 Ca 0.08 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.17 1ek4 n LEU 335 Cb 0.43 0.00 0.78 0.00 -2.33 0.00 0.00 43.42 42.30 1ek4 n LEU 335 CO 0.08 0.00 1.09 1.23 -1.33 0.00 0.00 177.39 178.47 1ek4 h GLY 336 N 0.00 0.00 0.44 -0.72 0.00 -1.86 -1.87 103.07 99.05 1ek4 h GLY 336 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1ek4 h GLY 336 CO 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 176.54 176.24 1ek4 n ALA 337 N -2.42 3.16 -0.11 3.60 0.00 -0.48 -2.31 120.51 121.94 1ek4 n ALA 337 Ca -0.03 -0.38 -0.07 0.00 0.00 0.00 0.00 53.44 52.95 1ek4 n ALA 337 Cb 0.09 -1.14 0.01 0.00 0.00 0.00 0.00 19.45 18.40 1ek4 n ALA 337 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ek4 h ALA 338 N 3.53 0.47 -0.17 0.00 0.00 -1.40 -2.33 119.26 119.36 1ek4 h ALA 338 Ca 0.00 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.95 1ek4 h ALA 338 Cb 0.50 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1ek4 h ALA 338 CO 0.00 -0.12 -0.13 0.78 0.00 0.00 0.00 179.25 179.78 1ek4 h GLY 339 N 0.45 -0.00 1.30 0.00 0.00 -1.76 -0.22 103.07 102.83 1ek4 h GLY 339 Ca 0.15 0.16 -0.21 0.00 0.00 0.00 0.00 47.33 47.43 1ek4 h GLY 339 CO -0.07 -0.14 -0.73 -0.24 0.00 0.00 0.00 176.54 175.36 1ek4 h VAL 340 N -0.14 1.30 -0.62 4.60 3.04 -1.71 -2.02 116.25 120.70 1ek4 h VAL 340 Ca 0.11 -1.97 -0.04 0.00 -1.01 0.00 0.00 66.70 63.78 1ek4 h VAL 340 Cb 0.29 1.96 -0.03 0.00 -2.01 0.00 0.00 31.29 31.50 1ek4 h VAL 340 CO -0.25 0.62 0.24 1.56 -1.01 0.00 0.00 177.57 178.72 1ek4 h GLN 341 N 0.49 0.93 0.00 4.17 4.20 -1.28 -0.74 115.11 122.87 1ek4 h GLN 341 Ca -0.04 -0.17 -0.08 0.00 0.06 0.00 0.00 58.65 58.42 1ek4 h GLN 341 Cb 1.34 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 28.96 1ek4 h GLN 341 CO 0.14 0.79 -0.38 0.93 -0.67 0.00 0.00 178.83 179.65 1ek4 h GLU 342 N 0.86 0.00 -0.25 1.46 5.08 -1.05 0.16 114.58 120.84 1ek4 h GLU 342 Ca 0.20 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.41 1ek4 h GLU 342 Cb 0.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1ek4 h GLU 342 CO -0.02 0.38 -0.46 0.00 -1.00 0.00 0.00 179.01 177.91 1ek4 h ALA 343 N 1.62 0.72 -0.35 3.43 0.00 -0.86 -2.06 119.26 121.77 1ek4 h ALA 343 Ca -0.00 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.34 1ek4 h ALA 343 Cb 0.91 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1ek4 h ALA 343 CO 0.05 0.67 -0.15 0.82 0.00 0.00 0.00 179.25 180.64 1ek4 h ILE 344 N 0.51 1.28 -0.95 0.00 2.04 -0.43 -1.06 117.51 118.91 1ek4 h ILE 344 Ca 0.03 -1.26 0.01 0.00 1.00 0.00 0.00 64.86 64.65 1ek4 h ILE 344 Cb 1.00 1.36 -0.05 0.00 -0.74 0.00 0.00 36.82 38.39 1ek4 h ILE 344 CO 0.09 0.41 0.63 1.88 0.00 0.00 0.00 178.15 181.17 1ek4 h TYR 345 N 0.50 1.19 -0.35 1.37 0.05 -0.90 -1.03 116.97 117.81 1ek4 h TYR 345 Ca 0.08 0.03 -0.09 0.00 0.05 0.00 0.00 58.73 58.80 1ek4 h TYR 345 Cb 0.68 -0.40 -0.02 0.00 1.01 0.00 0.00 36.73 38.00 1ek4 h TYR 345 CO 0.06 0.74 -0.14 0.77 -1.05 0.00 0.00 178.16 178.54 1ek4 h SER 346 N 1.28 0.61 0.01 3.88 0.02 -1.14 -1.75 113.55 116.45 1ek4 h SER 346 Ca 0.35 -0.18 -0.15 0.00 -0.84 0.00 0.00 61.79 60.98 1ek4 h SER 346 Cb -0.12 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.25 1ek4 h SER 346 CO -0.08 0.77 -0.50 -0.07 -1.14 0.00 0.00 176.83 175.81 1ek4 h LEU 347 N 0.56 0.61 -0.85 5.07 3.38 -0.48 -1.50 115.31 122.10 1ek4 h LEU 347 Ca 0.10 -0.30 -0.11 0.00 0.09 0.00 0.00 57.88 57.66 1ek4 h LEU 347 Cb 0.57 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1ek4 h LEU 347 CO 0.04 1.00 -0.28 -0.07 0.09 0.00 0.00 178.44 179.22 1ek4 h LEU 348 N 0.44 0.55 -0.67 1.67 3.38 -0.94 0.30 115.31 120.03 1ek4 h LEU 348 Ca 0.02 -0.20 -0.14 0.00 0.09 0.00 0.00 57.88 57.65 1ek4 h LEU 348 Cb 1.03 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1ek4 h LEU 348 CO 0.09 0.81 -0.44 0.24 0.09 0.00 0.00 178.44 179.24 1ek4 h MET 349 N 0.47 0.52 -0.13 1.13 2.86 -1.12 -0.32 114.93 118.35 1ek4 h MET 349 Ca 0.06 -0.28 -0.12 0.00 -2.06 0.00 0.00 59.70 57.31 1ek4 h MET 349 Cb 0.73 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.40 1ek4 h MET 349 CO 0.06 0.86 -0.38 1.25 1.06 0.00 0.00 176.91 179.76 1ek4 h LEU 350 N 0.43 0.55 -0.64 1.22 5.85 -0.91 -1.48 115.31 120.32 1ek4 h LEU 350 Ca 0.03 -0.60 -0.09 0.00 0.84 0.00 0.00 57.88 58.06 1ek4 h LEU 350 Cb 0.94 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.78 1ek4 h LEU 350 CO 0.08 1.05 0.06 -0.08 -0.34 0.00 0.00 178.44 179.22 1ek4 h GLU 351 N 0.07 1.10 -0.41 1.25 4.57 -0.35 -3.25 114.58 117.56 1ek4 h GLU 351 Ca -0.01 -0.32 0.00 0.00 -1.18 0.00 0.00 59.36 57.85 1ek4 h GLU 351 Cb 1.00 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.47 1ek4 h GLU 351 CO 0.08 1.03 0.00 0.72 -1.18 0.00 0.00 179.01 179.66 1ek4 n HIS 352 N -4.20 0.53 -3.33 0.92 8.25 -0.14 -5.02 115.22 112.23 1ek4 n HIS 352 Ca 0.04 -0.30 -0.17 0.00 -0.26 0.00 0.00 57.72 57.02 1ek4 n HIS 352 Cb 0.32 -0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.49 1ek4 n HIS 352 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ek4 n GLY 353 N 1.32 -1.02 3.41 -1.41 0.00 -0.60 -4.96 105.19 101.93 1ek4 n GLY 353 Ca 0.18 0.50 -0.13 0.00 0.00 0.00 0.00 46.02 46.57 1ek4 n GLY 353 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ek4 s PHE 354 N -3.40 -0.49 -0.23 1.61 -0.12 -0.94 -1.70 117.98 112.72 1ek4 s PHE 354 Ca 0.38 0.37 -0.03 0.00 -0.05 0.00 0.00 56.93 57.60 1ek4 s PHE 354 Cb -0.06 0.47 0.00 0.00 -0.63 0.00 0.00 43.02 42.80 1ek4 s PHE 354 CO 0.75 -0.77 -0.04 0.42 -0.05 0.00 0.00 175.22 175.53 1ek4 s ILE 355 N -3.29 3.27 0.41 -4.49 1.01 0.32 -4.57 121.20 113.85 1ek4 s ILE 355 Ca -0.01 -0.63 -0.26 0.00 0.00 0.00 0.00 60.65 59.75 1ek4 s ILE 355 Cb -0.00 -2.54 -0.09 0.00 0.01 0.00 0.00 42.46 39.84 1ek4 s ILE 355 CO -0.09 0.35 1.28 0.00 0.00 0.00 0.00 174.94 176.49 1ek4 s ALA 356 N 1.44 3.24 0.45 9.38 0.00 -1.26 -2.22 121.76 132.79 1ek4 s ALA 356 Ca 0.04 1.19 -0.22 0.00 0.00 0.00 0.00 51.96 52.97 1ek4 s ALA 356 Cb -0.15 -3.47 -0.09 0.00 0.00 0.00 0.00 23.12 19.41 1ek4 s ALA 356 CO -0.03 -0.78 1.03 -1.25 0.00 0.00 0.00 175.76 174.73 1ek4 s PRO 357 N -2.25 4.00 -0.55 0.00 0.04 -1.26 -4.79 135.00 130.18 1ek4 s PRO 357 Ca 0.57 1.38 -0.19 0.00 0.04 0.00 0.00 61.00 62.80 1ek4 s PRO 357 Cb -0.37 -2.27 0.08 0.00 0.04 0.00 0.00 34.50 31.98 1ek4 s PRO 357 CO 0.47 -0.27 0.67 0.45 0.04 0.00 0.00 177.00 178.36 1ek4 s SER 358 N -1.86 6.20 0.70 6.66 0.15 0.35 -4.76 113.70 121.15 1ek4 s SER 358 Ca 0.63 -1.22 -0.05 0.00 0.70 0.00 0.00 55.95 56.02 1ek4 s SER 358 Cb -0.17 -2.29 0.08 0.00 -1.71 0.00 0.00 66.02 61.92 1ek4 s SER 358 CO 0.22 -1.01 0.99 0.27 1.20 0.00 0.00 173.24 174.90 1ek4 s ILE 359 N 2.64 2.30 -1.49 6.45 -4.36 -1.26 -4.49 121.20 121.00 1ek4 s ILE 359 Ca 0.13 -0.40 0.00 0.00 -0.26 0.00 0.00 60.65 60.12 1ek4 s ILE 359 Cb -0.22 -2.91 0.00 0.00 1.25 0.00 0.00 42.46 40.58 1ek4 s ILE 359 CO 0.09 0.00 0.00 0.59 0.24 0.00 0.00 174.94 175.86 1ek4 n ASN 360 N -2.86 -4.88 -4.47 4.36 3.02 -1.26 -4.53 115.26 104.65 1ek4 n ASN 360 Ca 0.10 0.35 -0.43 0.00 -0.03 0.00 0.00 54.58 54.57 1ek4 n ASN 360 Cb 0.60 -3.61 -0.05 0.00 -0.61 0.00 0.00 39.78 36.11 1ek4 n ASN 360 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1ek4 s ILE 361 N -2.46 4.56 -0.14 2.41 1.01 -1.26 -4.77 121.20 120.54 1ek4 s ILE 361 Ca 0.00 -0.23 0.17 0.00 0.00 0.00 0.00 60.65 60.59 1ek4 s ILE 361 Cb 0.00 -4.50 -0.24 0.00 0.01 0.00 0.00 42.46 37.73 1ek4 s ILE 361 CO 0.00 -1.11 0.31 -0.62 0.00 0.00 0.00 174.94 173.52 1ek4 n GLU 362 N 7.03 0.67 -3.43 2.79 1.02 -1.26 -4.79 120.64 122.68 1ek4 n GLU 362 Ca -0.03 0.06 -0.21 0.00 -0.02 0.00 0.00 57.16 56.96 1ek4 n GLU 362 Cb 0.46 -1.60 -0.11 0.00 -0.02 0.00 0.00 31.44 30.17 1ek4 n GLU 362 CO 0.00 0.00 0.00 -2.00 1.18 0.00 0.00 177.13 176.31 1ek4 s GLU 363 N -2.66 0.38 0.22 3.49 2.12 -1.26 -5.05 118.70 115.94 1ek4 s GLU 363 Ca -0.08 -0.50 -0.32 0.00 0.36 0.00 0.00 54.97 54.43 1ek4 s GLU 363 Cb 0.07 -0.84 -0.13 0.00 0.26 0.00 0.00 34.13 33.49 1ek4 s GLU 363 CO 0.84 -1.08 1.46 -0.11 -0.54 0.00 0.00 175.26 175.83 1ek4 n LEU 364 N 4.94 3.20 -4.75 2.70 7.94 -1.26 -0.02 117.00 129.75 1ek4 n LEU 364 Ca 0.01 1.13 -0.41 0.00 -1.11 0.00 0.00 56.01 55.63 1ek4 n LEU 364 Cb 0.44 -1.44 -0.02 0.00 0.53 0.00 0.00 43.42 42.93 1ek4 n LEU 364 CO 0.04 -0.39 1.16 -0.62 -1.11 0.00 0.00 177.39 176.47 1ek4 s ASP 365 N 0.46 6.53 0.43 1.96 -1.08 -0.57 -4.70 116.67 119.70 1ek4 s ASP 365 Ca 0.71 2.81 0.15 0.00 -0.52 0.00 0.00 52.55 55.69 1ek4 s ASP 365 Cb -0.65 -2.63 1.04 0.00 -1.46 0.00 0.00 42.92 39.23 1ek4 s ASP 365 CO 0.47 -0.79 1.94 -0.33 0.52 0.00 0.00 175.17 176.97 1ek4 h GLU 366 N 4.75 0.40 0.00 4.34 5.08 -1.91 0.18 114.58 127.42 1ek4 h GLU 366 Ca -0.47 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1ek4 h GLU 366 Cb 1.22 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1ek4 h GLU 366 CO 0.77 0.27 0.00 1.04 -1.00 0.00 0.00 179.01 180.09 1ek4 n GLN 367 N -4.47 0.33 -0.07 2.33 6.02 -1.26 -2.12 117.38 118.12 1ek4 n GLN 367 Ca 0.13 0.09 0.12 0.00 -0.01 0.00 0.00 57.00 57.33 1ek4 n GLN 367 Cb 0.48 -1.50 0.14 0.00 1.02 0.00 0.00 30.24 30.39 1ek4 n GLN 367 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ek4 n ALA 368 N -1.23 2.44 -1.81 -1.58 0.00 0.05 -4.87 120.51 113.52 1ek4 n ALA 368 Ca 0.10 -0.81 -0.41 0.00 0.00 0.00 0.00 53.44 52.32 1ek4 n ALA 368 Cb 0.13 -0.83 -0.02 0.00 0.00 0.00 0.00 19.45 18.73 1ek4 n ALA 368 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ek4 s ALA 369 N -1.80 3.52 0.00 0.00 0.00 -0.90 -2.82 121.76 119.76 1ek4 s ALA 369 Ca 0.32 1.26 0.00 0.00 0.00 0.00 0.00 51.96 53.55 1ek4 s ALA 369 Cb 0.21 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.84 1ek4 s ALA 369 CO 0.31 -0.65 0.00 0.41 0.00 0.00 0.00 175.76 175.82 1ek4 n GLY 370 N 1.16 0.83 3.71 0.00 0.00 -1.26 -5.05 105.19 104.58 1ek4 n GLY 370 Ca 0.02 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1ek4 n GLY 370 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ek4 s LEU 371 N 0.00 3.54 -1.10 0.99 1.43 -1.13 -4.94 118.68 117.47 1ek4 s LEU 371 Ca 0.00 -0.17 -0.15 0.00 -1.03 0.00 0.00 54.13 52.79 1ek4 s LEU 371 Cb 0.00 -2.24 0.17 0.00 0.03 0.00 0.00 46.19 44.15 1ek4 s LEU 371 CO 0.00 0.16 1.27 0.21 0.23 0.00 0.00 176.35 178.22 1ek4 s ASN 372 N -2.47 6.96 -0.47 2.29 2.47 -1.26 -4.96 114.94 117.49 1ek4 s ASN 372 Ca 0.27 -2.78 -0.19 0.00 0.42 0.00 0.00 52.86 50.58 1ek4 s ASN 372 Cb -0.11 -2.37 0.04 0.00 -1.45 0.00 0.00 41.25 37.36 1ek4 s ASN 372 CO 0.19 -0.77 0.60 -0.63 -3.72 0.00 0.00 177.10 172.78 1ek4 s ILE 373 N 1.48 4.89 -0.05 -5.21 1.01 -1.26 -0.23 121.20 121.82 1ek4 s ILE 373 Ca 0.37 -0.28 -0.30 0.00 0.00 0.00 0.00 60.65 60.44 1ek4 s ILE 373 Cb -0.05 -4.23 -0.05 0.00 0.01 0.00 0.00 42.46 38.15 1ek4 s ILE 373 CO -0.04 -0.69 1.45 -0.69 0.00 0.00 0.00 174.94 174.98 1ek4 s VAL 374 N 2.62 3.79 -1.09 2.92 1.01 -0.07 -4.91 120.40 124.67 1ek4 s VAL 374 Ca 0.17 1.07 0.13 0.00 0.00 0.00 0.00 61.98 63.34 1ek4 s VAL 374 Cb -0.17 -3.69 0.36 0.00 0.00 0.00 0.00 36.38 32.88 1ek4 s VAL 374 CO 0.14 -0.05 1.30 0.35 0.00 0.00 0.00 175.10 176.85 1ek4 n THR 375 N 5.08 1.01 -3.71 3.92 -2.24 -1.26 -0.49 114.28 116.58 1ek4 n THR 375 Ca 0.15 -1.01 -0.14 0.00 -2.27 0.00 0.00 64.05 60.78 1ek4 n THR 375 Cb 0.44 0.49 -0.09 0.00 -2.10 0.00 0.00 70.33 69.07 1ek4 n THR 375 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1ek4 s GLU 376 N -1.01 0.63 -0.19 -0.78 -1.05 -1.26 -4.57 118.70 110.46 1ek4 s GLU 376 Ca 0.28 0.34 -0.38 0.00 -0.15 0.00 0.00 54.97 55.05 1ek4 s GLU 376 Cb 0.14 0.30 -0.15 0.00 -0.44 0.00 0.00 34.13 33.98 1ek4 s GLU 376 CO 0.19 -0.13 1.72 2.41 0.95 0.00 0.00 175.26 180.40 1ek4 n THR 377 N 2.14 0.32 -3.95 1.83 -1.04 -1.26 -4.54 114.28 107.77 1ek4 n THR 377 Ca -0.16 -0.06 -0.29 0.00 -2.04 0.00 0.00 64.05 61.49 1ek4 n THR 377 Cb 0.57 -1.31 -0.16 0.00 -1.82 0.00 0.00 70.33 67.60 1ek4 n THR 377 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1ek4 s THR 378 N 3.24 1.41 0.15 12.58 2.01 -0.94 -4.97 115.64 129.12 1ek4 s THR 378 Ca 0.95 -0.81 -0.30 0.00 0.31 0.00 0.00 61.69 61.84 1ek4 s THR 378 Cb -0.97 -1.51 -0.08 0.00 0.01 0.00 0.00 72.50 69.95 1ek4 s THR 378 CO 0.60 0.18 1.25 -1.81 -0.69 0.00 0.00 174.62 174.16 1ek4 s ASP 379 N 1.50 7.00 -0.19 3.53 1.01 -1.26 -0.52 116.67 127.74 1ek4 s ASP 379 Ca 0.00 2.24 -0.29 0.00 0.71 0.00 0.00 52.55 55.21 1ek4 s ASP 379 Cb -0.15 -2.60 0.12 0.00 1.01 0.00 0.00 42.92 41.30 1ek4 s ASP 379 CO -0.08 -0.47 1.00 -0.60 0.21 0.00 0.00 175.17 175.22 1ek4 s ARG 380 N 0.29 0.59 -0.44 8.23 3.52 -0.69 -4.93 118.95 125.52 1ek4 s ARG 380 Ca 0.57 0.26 -0.23 0.00 -0.13 0.00 0.00 55.73 56.20 1ek4 s ARG 380 Cb -0.33 0.28 0.02 0.00 -1.56 0.00 0.00 34.95 33.36 1ek4 s ARG 380 CO 0.34 -0.16 0.77 -1.21 -0.81 0.00 0.00 175.30 174.23 1ek4 s GLU 381 N -0.77 3.42 0.19 5.12 2.02 -1.26 -3.11 118.70 124.31 1ek4 s GLU 381 Ca -0.01 -0.10 -0.02 0.00 0.02 0.00 0.00 54.97 54.86 1ek4 s GLU 381 Cb -0.02 -3.93 -0.05 0.00 0.10 0.00 0.00 34.13 30.24 1ek4 s GLU 381 CO -0.00 -1.08 0.39 -0.51 0.02 0.00 0.00 175.26 174.08 1ek4 s LEU 382 N 3.22 4.23 0.00 1.80 1.43 -1.26 -5.01 118.68 123.08 1ek4 s LEU 382 Ca 0.29 0.48 0.00 0.00 -1.03 0.00 0.00 54.13 53.87 1ek4 s LEU 382 Cb -0.12 -3.24 0.00 0.00 0.03 0.00 0.00 46.19 42.86 1ek4 s LEU 382 CO 0.22 -0.02 0.00 0.41 0.23 0.00 0.00 176.35 177.19 1ek4 n THR 383 N -0.43 0.00 -4.32 5.49 -1.04 -1.26 -4.93 114.28 107.79 1ek4 n THR 383 Ca -0.04 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.73 1ek4 n THR 383 Cb 0.53 -0.37 -0.17 0.00 -1.82 0.00 0.00 70.33 68.50 1ek4 n THR 383 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1ek4 s THR 384 N -1.69 0.96 0.11 12.58 2.01 -1.26 -1.55 115.64 126.80 1ek4 s THR 384 Ca 0.00 -0.34 0.07 0.00 0.31 0.00 0.00 61.69 61.73 1ek4 s THR 384 Cb 0.00 -0.92 -0.03 0.00 0.01 0.00 0.00 72.50 71.55 1ek4 s THR 384 CO 0.00 0.33 -0.18 0.68 -0.69 0.00 0.00 174.62 174.76 1ek4 s VAL 385 N 0.98 1.53 0.03 3.82 -7.23 0.55 -0.62 120.40 119.47 1ek4 s VAL 385 Ca -0.09 -1.57 0.06 0.00 -1.81 0.00 0.00 61.98 58.57 1ek4 s VAL 385 Cb -0.15 -1.48 -0.02 0.00 0.56 0.00 0.00 36.38 35.29 1ek4 s VAL 385 CO 0.00 -0.19 -0.16 -0.32 -0.31 0.00 0.00 175.10 174.12 1ek4 s MET 386 N -2.12 1.14 -0.05 4.82 -2.45 -0.38 -0.46 119.30 119.81 1ek4 s MET 386 Ca 0.06 -0.77 -0.00 0.00 -1.25 0.00 0.00 55.69 53.73 1ek4 s MET 386 Cb -0.09 -1.17 0.03 0.00 1.25 0.00 0.00 34.83 34.84 1ek4 s MET 386 CO 0.04 0.30 -0.01 0.45 1.05 0.00 0.00 175.02 176.85 1ek4 s SER 387 N -0.99 1.03 -0.05 1.11 0.15 -0.35 -0.07 113.70 114.53 1ek4 s SER 387 Ca 0.04 -0.07 -0.04 0.00 0.70 0.00 0.00 55.95 56.59 1ek4 s SER 387 Cb -0.08 -0.36 -0.04 0.00 -1.71 0.00 0.00 66.02 63.83 1ek4 s SER 387 CO 0.01 -0.13 0.13 0.20 1.20 0.00 0.00 173.24 174.65 1ek4 s ASN 388 N 1.38 6.13 -0.07 5.45 0.01 -0.77 -1.87 114.94 125.21 1ek4 s ASN 388 Ca -0.04 0.33 -0.03 0.00 -0.71 0.00 0.00 52.86 52.41 1ek4 s ASN 388 Cb -0.13 -1.90 0.04 0.00 0.41 0.00 0.00 41.25 39.67 1ek4 s ASN 388 CO -0.02 0.33 0.11 -0.44 -1.51 0.00 0.00 177.10 175.56 1ek4 s SER 389 N -1.49 1.01 0.11 -1.22 0.01 -0.10 -3.45 113.70 108.57 1ek4 s SER 389 Ca 0.21 0.17 0.09 0.00 1.31 0.00 0.00 55.95 57.73 1ek4 s SER 389 Cb -0.12 0.06 -0.04 0.00 0.21 0.00 0.00 66.02 66.13 1ek4 s SER 389 CO 0.11 -0.25 -0.24 -0.36 0.41 0.00 0.00 173.24 172.91 1ek4 s PHE 390 N 2.23 2.04 0.12 2.43 0.08 -1.26 -0.69 117.98 122.93 1ek4 s PHE 390 Ca 0.04 -0.40 -0.00 0.00 0.12 0.00 0.00 56.93 56.69 1ek4 s PHE 390 Cb -0.12 -1.12 -0.04 0.00 -0.57 0.00 0.00 43.02 41.17 1ek4 s PHE 390 CO -0.05 0.25 0.02 0.20 -0.10 0.00 0.00 175.22 175.55 1ek4 s GLY 391 N -1.90 0.94 0.63 4.36 0.00 0.27 -4.12 107.32 107.49 1ek4 s GLY 391 Ca 0.10 -1.45 -0.18 0.00 0.00 0.00 0.00 44.72 43.20 1ek4 s GLY 391 CO 0.05 -1.39 0.87 0.69 0.00 0.00 0.00 173.10 173.31 1ek4 n PHE 392 N -0.09 0.46 -0.55 1.90 0.99 -1.26 -2.14 117.46 116.78 1ek4 n PHE 392 Ca -0.07 0.42 0.00 0.00 -0.00 0.00 0.00 57.45 57.80 1ek4 n PHE 392 Cb 0.63 -2.09 0.00 0.00 -1.00 0.00 0.00 39.48 37.02 1ek4 n PHE 392 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1ek4 n GLY 393 N 1.37 0.75 3.23 1.37 0.00 0.13 -4.17 105.19 107.87 1ek4 n GLY 393 Ca 0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 1ek4 n GLY 393 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ek4 n GLY 394 N -2.30 -0.30 3.71 -0.02 0.00 -0.91 -4.72 105.19 100.64 1ek4 n GLY 394 Ca 0.00 0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1ek4 n GLY 394 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ek4 s THR 395 N -3.28 5.10 0.06 2.61 -1.32 -0.97 -0.51 115.64 117.34 1ek4 s THR 395 Ca 0.40 0.08 0.08 0.00 -1.21 0.00 0.00 61.69 61.04 1ek4 s THR 395 Cb -0.17 -3.30 -0.03 0.00 -1.51 0.00 0.00 72.50 67.49 1ek4 s THR 395 CO 0.62 0.48 -0.23 0.20 -2.21 0.00 0.00 174.62 173.48 1ek4 s ASN 396 N 0.13 2.78 -0.06 8.08 0.01 -0.29 -0.57 114.94 125.02 1ek4 s ASN 396 Ca 0.07 -0.58 -0.05 0.00 -0.71 0.00 0.00 52.86 51.59 1ek4 s ASN 396 Cb -0.12 -0.23 0.02 0.00 0.41 0.00 0.00 41.25 41.34 1ek4 s ASN 396 CO -0.00 0.18 0.16 0.00 -1.51 0.00 0.00 177.10 175.93 1ek4 s ALA 397 N -0.87 -0.37 -0.02 0.60 0.00 0.13 -2.09 121.76 119.14 1ek4 s ALA 397 Ca 0.09 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.61 1ek4 s ALA 397 Cb -0.09 -0.34 0.02 0.00 0.00 0.00 0.00 23.12 22.71 1ek4 s ALA 397 CO 0.03 -0.11 0.00 0.99 0.00 0.00 0.00 175.76 176.67 1ek4 s THR 398 N 0.48 0.12 -0.06 0.00 2.01 -0.20 -0.93 115.64 117.05 1ek4 s THR 398 Ca -0.03 0.10 0.05 0.00 0.31 0.00 0.00 61.69 62.11 1ek4 s THR 398 Cb -0.05 -0.21 -0.01 0.00 0.01 0.00 0.00 72.50 72.24 1ek4 s THR 398 CO -0.02 0.12 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.05 1ek4 s LEU 399 N 0.91 2.23 -0.16 4.42 1.43 -0.78 -0.46 118.68 126.27 1ek4 s LEU 399 Ca -0.09 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.58 1ek4 s LEU 399 Cb -0.12 -1.42 0.01 0.00 0.03 0.00 0.00 46.19 44.69 1ek4 s LEU 399 CO -0.02 0.25 -0.20 -0.69 0.23 0.00 0.00 176.35 175.92 1ek4 s VAL 400 N -0.19 2.13 -0.01 -1.59 1.01 -0.32 -1.21 120.40 120.23 1ek4 s VAL 400 Ca -0.02 -0.93 0.08 0.00 0.00 0.00 0.00 61.98 61.10 1ek4 s VAL 400 Cb -0.14 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 1ek4 s VAL 400 CO 0.03 0.54 -0.26 -0.04 0.00 0.00 0.00 175.10 175.37 1ek4 s MET 401 N 1.07 2.07 0.02 2.72 -1.94 0.40 -1.59 119.30 122.04 1ek4 s MET 401 Ca -0.01 -0.95 0.01 0.00 -1.71 0.00 0.00 55.69 53.03 1ek4 s MET 401 Cb -0.14 -2.03 -0.02 0.00 2.01 0.00 0.00 34.83 34.66 1ek4 s MET 401 CO -0.07 0.55 -0.03 0.50 -0.01 0.00 0.00 175.02 175.96 1ek4 s ARG 402 N -0.68 0.29 0.61 2.03 3.52 -0.06 -0.33 118.95 124.34 1ek4 s ARG 402 Ca 0.10 -0.48 -0.19 0.00 -0.13 0.00 0.00 55.73 55.03 1ek4 s ARG 402 Cb -0.10 -0.02 -0.02 0.00 -1.56 0.00 0.00 34.95 33.24 1ek4 s ARG 402 CO -0.01 -0.01 1.31 0.15 -0.81 0.00 0.00 175.30 175.93 1ek4 s LYS 403 N -1.09 2.77 -0.25 5.12 1.02 -0.59 -0.08 119.74 126.64 1ek4 s LYS 403 Ca -0.10 2.11 -0.20 0.00 0.02 0.00 0.00 55.97 57.80 1ek4 s LYS 403 Cb -0.07 -1.99 -0.02 0.00 -0.52 0.00 0.00 37.83 35.23 1ek4 s LYS 403 CO -0.00 -1.44 0.61 -1.17 -0.92 0.00 0.00 175.35 172.43 1ek4 s LEU 404 N -4.07 4.07 0.08 3.17 2.96 -1.26 -4.74 118.68 118.89 1ek4 s LEU 404 Ca 0.79 0.70 -0.35 0.00 -0.22 0.00 0.00 54.13 55.04 1ek4 s LEU 404 Cb -0.38 -2.83 -0.19 0.00 0.50 0.00 0.00 46.19 43.29 1ek4 s LEU 404 CO 0.42 -0.35 0.87 0.29 -1.32 0.00 0.00 176.35 176.26 1ek4 n LYS 405 N 5.62 0.04 -0.38 1.98 4.01 -1.26 -5.09 118.16 123.08 1ek4 n LYS 405 Ca -0.01 0.01 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1ek4 n LYS 405 Cb 0.49 -1.33 0.00 0.00 -0.51 0.00 0.00 35.03 33.68 1ek4 n LYS 405 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82