#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 3.21 0.06 2.12 3.01 -1.26 -5.05 119.74 121.83 1ek4 s LYS 2 Ca 0.00 1.46 -0.07 0.00 -1.01 0.00 0.00 55.97 56.35 1ek4 s LYS 2 Cb 0.00 -2.00 -0.05 0.00 -1.01 0.00 0.00 37.83 34.77 1ek4 s LYS 2 CO 0.00 -0.94 0.33 1.03 0.51 0.00 0.00 175.35 176.28 1ek4 s ARG 3 N -3.65 3.64 -0.05 1.68 0.52 -1.26 -4.70 118.95 115.13 1ek4 s ARG 3 Ca 0.69 -0.02 0.06 0.00 -0.52 0.00 0.00 55.73 55.94 1ek4 s ARG 3 Cb -0.21 -3.00 -0.01 0.00 0.52 0.00 0.00 34.95 32.25 1ek4 s ARG 3 CO 0.32 0.58 -0.23 0.08 0.02 0.00 0.00 175.30 176.07 1ek4 s VAL 4 N -1.42 1.91 0.22 3.52 1.01 -1.26 -1.06 120.40 123.32 1ek4 s VAL 4 Ca 0.33 -1.00 0.03 0.00 0.00 0.00 0.00 61.98 61.34 1ek4 s VAL 4 Cb -0.13 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.58 1ek4 s VAL 4 CO 0.19 0.54 0.01 0.68 0.00 0.00 0.00 175.10 176.51 1ek4 s VAL 5 N -0.21 0.92 -0.23 2.92 -7.23 0.04 -1.14 120.40 115.48 1ek4 s VAL 5 Ca -0.01 -2.02 -0.06 0.00 -1.81 0.00 0.00 61.98 58.08 1ek4 s VAL 5 Cb -0.12 -2.32 -0.02 0.00 0.56 0.00 0.00 36.38 34.48 1ek4 s VAL 5 CO 0.02 -0.33 0.02 -0.63 -0.31 0.00 0.00 175.10 173.88 1ek4 s ILE 6 N -3.50 3.99 -0.51 -0.62 1.01 -0.50 -0.33 121.20 120.74 1ek4 s ILE 6 Ca 0.28 -0.29 0.05 0.00 0.00 0.00 0.00 60.65 60.70 1ek4 s ILE 6 Cb 0.06 -2.84 0.11 0.00 0.01 0.00 0.00 42.46 39.80 1ek4 s ILE 6 CO 0.08 0.38 0.97 0.35 0.00 0.00 0.00 174.94 176.73 1ek4 n THR 7 N 4.70 0.68 -3.59 2.92 -2.24 -0.55 -1.45 114.28 114.75 1ek4 n THR 7 Ca -0.17 -0.84 -0.07 0.00 -2.27 0.00 0.00 64.05 60.70 1ek4 n THR 7 Cb 0.51 0.70 -0.04 0.00 -2.10 0.00 0.00 70.33 69.40 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 -0.82 -0.21 0.08 3.38 0.00 -1.26 -3.90 107.32 104.60 1ek4 s GLY 8 Ca 0.09 2.02 -0.12 0.00 0.00 0.00 0.00 44.72 46.72 1ek4 s GLY 8 CO 0.07 0.88 0.26 0.48 0.00 0.00 0.00 173.10 174.79 1ek4 s LEU 9 N -1.44 1.06 -0.09 0.66 0.05 -1.26 -0.91 118.68 116.75 1ek4 s LEU 9 Ca 0.04 -0.44 -0.16 0.00 0.05 0.00 0.00 54.13 53.62 1ek4 s LEU 9 Cb -0.01 1.28 0.04 0.00 -2.05 0.00 0.00 46.19 45.45 1ek4 s LEU 9 CO -0.03 -0.71 0.39 -0.83 -0.55 0.00 0.00 176.35 174.62 1ek4 s GLY 10 N -2.58 -0.27 -0.14 -3.48 0.00 -0.16 -3.26 107.32 97.43 1ek4 s GLY 10 Ca 0.01 0.83 -0.24 0.00 0.00 0.00 0.00 44.72 45.32 1ek4 s GLY 10 CO -0.09 0.63 0.61 -1.50 0.00 0.00 0.00 173.10 172.75 1ek4 s ILE 11 N -0.54 0.01 -0.22 0.90 2.07 -1.26 -1.23 121.20 120.93 1ek4 s ILE 11 Ca -0.07 -0.06 -0.03 0.00 -1.41 0.00 0.00 60.65 59.09 1ek4 s ILE 11 Cb -0.04 -0.89 0.07 0.00 0.13 0.00 0.00 42.46 41.74 1ek4 s ILE 11 CO 0.03 -0.03 0.05 -0.69 -1.91 0.00 0.00 174.94 172.39 1ek4 s VAL 12 N -0.43 0.55 0.33 4.00 1.01 -0.62 -3.27 120.40 121.97 1ek4 s VAL 12 Ca -0.06 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.23 1ek4 s VAL 12 Cb -0.03 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.17 1ek4 s VAL 12 CO 0.05 -0.34 0.21 -0.94 0.00 0.00 0.00 175.10 174.07 1ek4 s SER 13 N 1.83 1.74 0.61 3.32 1.04 -0.01 -0.36 113.70 121.87 1ek4 s SER 13 Ca 0.02 -1.67 0.39 0.00 0.48 0.00 0.00 55.95 55.17 1ek4 s SER 13 Cb -0.17 0.50 1.97 0.00 0.10 0.00 0.00 66.02 68.41 1ek4 s SER 13 CO -0.13 -0.98 2.22 0.77 0.98 0.00 0.00 173.24 176.09 1ek4 h SER 14 N 2.12 0.00 -0.31 7.02 4.64 -1.76 -2.70 113.55 122.57 1ek4 h SER 14 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1ek4 h SER 14 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1ek4 h SER 14 CO 0.46 0.02 0.00 2.30 -0.87 0.00 0.00 176.83 178.73 1ek4 n ILE 15 N -3.19 1.88 0.00 0.95 -5.35 -1.26 -4.49 119.36 107.90 1ek4 n ILE 15 Ca -0.02 -1.56 0.00 0.00 -0.27 0.00 0.00 62.75 60.90 1ek4 n ILE 15 Cb 0.16 -0.00 0.00 0.00 -1.74 0.00 0.00 39.64 38.06 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 -0.09 3.53 1.12 3.28 0.00 -1.02 -3.96 105.19 108.04 1ek4 n GLY 16 Ca 0.19 -0.47 0.12 0.00 0.00 0.00 0.00 46.02 45.85 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 3.33 -3.78 1.61 3.02 -1.26 -0.83 115.26 117.35 1ek4 n ASN 17 Ca 0.00 -1.97 -0.05 0.00 -0.03 0.00 0.00 54.58 52.53 1ek4 n ASN 17 Cb 0.00 -0.25 -0.02 0.00 -0.61 0.00 0.00 39.78 38.91 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 -1.47 -0.21 0.50 6.41 6.03 -1.20 -4.63 114.94 120.35 1ek4 s ASN 18 Ca 0.39 -0.46 0.18 0.00 -1.03 0.00 0.00 52.86 51.94 1ek4 s ASN 18 Cb 0.22 0.57 1.24 0.00 -3.03 0.00 0.00 41.25 40.26 1ek4 s ASN 18 CO 0.31 -1.05 2.08 0.06 -2.03 0.00 0.00 177.10 176.48 1ek4 h GLN 19 N 2.00 0.00 -0.18 3.55 3.07 -1.93 -1.78 115.11 119.84 1ek4 h GLN 19 Ca -0.22 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.48 1ek4 h GLN 19 Cb 1.24 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.79 1ek4 h GLN 19 CO 0.25 0.10 -0.03 1.96 0.09 0.00 0.00 178.83 181.20 1ek4 h GLN 20 N 0.00 0.33 -0.64 0.06 7.50 -1.99 -0.13 115.11 120.24 1ek4 h GLN 20 Ca -0.00 -0.12 -0.08 0.00 0.50 0.00 0.00 58.65 58.95 1ek4 h GLN 20 Cb 0.18 -0.02 -0.03 0.00 0.05 0.00 0.00 27.48 27.66 1ek4 h GLN 20 CO 0.01 0.58 0.10 0.93 -1.50 0.00 0.00 178.83 178.95 1ek4 h GLU 21 N 0.05 1.05 -0.47 1.46 5.08 -1.85 -2.28 114.58 117.62 1ek4 h GLU 21 Ca 0.05 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.10 1ek4 h GLU 21 Cb 0.45 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1ek4 h GLU 21 CO 0.01 0.96 0.17 0.28 -1.00 0.00 0.00 179.01 179.44 1ek4 h VAL 22 N 0.98 1.21 -0.34 3.13 2.07 -1.25 -1.82 116.25 120.24 1ek4 h VAL 22 Ca 0.19 -0.68 0.05 0.00 0.82 0.00 0.00 66.70 67.09 1ek4 h VAL 22 Cb 0.43 0.79 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 1ek4 h VAL 22 CO 0.01 0.25 0.05 0.25 0.02 0.00 0.00 177.57 178.16 1ek4 h LEU 23 N 0.61 -0.02 -0.42 2.57 5.85 -0.72 0.25 115.31 123.43 1ek4 h LEU 23 Ca 0.15 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.94 1ek4 h LEU 23 Cb 0.22 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1ek4 h LEU 23 CO -0.01 0.03 0.27 0.00 -0.34 0.00 0.00 178.44 178.39 1ek4 h ALA 24 N 1.27 0.54 -0.71 1.25 0.00 -1.24 -1.78 119.26 118.58 1ek4 h ALA 24 Ca 0.16 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1ek4 h ALA 24 Cb 0.19 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1ek4 h ALA 24 CO -0.23 -0.03 0.44 0.77 0.00 0.00 0.00 179.25 180.21 1ek4 h SER 25 N 0.56 0.84 -0.51 0.00 0.02 -0.72 -1.70 113.55 112.04 1ek4 h SER 25 Ca 0.16 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 1ek4 h SER 25 Cb -0.05 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.26 1ek4 h SER 25 CO -0.04 0.64 0.22 -0.07 -1.14 0.00 0.00 176.83 176.43 1ek4 h LEU 26 N 0.97 0.69 -1.16 5.07 3.38 -0.67 -0.50 115.31 123.08 1ek4 h LEU 26 Ca 0.26 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 1ek4 h LEU 26 Cb -0.06 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 1ek4 h LEU 26 CO -0.05 0.65 -0.27 0.03 0.09 0.00 0.00 178.44 178.89 1ek4 h ARG 27 N 0.67 0.24 -0.01 1.13 3.08 -1.09 -2.94 114.38 115.46 1ek4 h ARG 27 Ca 0.17 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1ek4 h ARG 27 Cb 0.17 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.20 1ek4 h ARG 27 CO -0.02 0.50 -0.26 0.39 -1.07 0.00 0.00 179.97 179.52 1ek4 n GLU 28 N -4.15 1.00 -3.31 0.04 1.02 -0.66 -4.74 120.64 109.84 1ek4 n GLU 28 Ca -0.01 -0.63 -0.23 0.00 -0.02 0.00 0.00 57.16 56.27 1ek4 n GLU 28 Cb 0.38 -1.49 0.06 0.00 -0.02 0.00 0.00 31.44 30.37 1ek4 n GLU 28 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ek4 n GLY 29 N 1.33 -0.51 3.72 0.62 0.00 -0.29 -4.94 105.19 105.11 1ek4 n GLY 29 Ca 0.12 0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.91 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 -6.01 4.57 0.36 1.61 3.52 -0.62 -5.01 118.95 117.36 1ek4 s ARG 30 Ca 0.45 1.31 -0.25 0.00 -0.13 0.00 0.00 55.73 57.11 1ek4 s ARG 30 Cb -0.20 -3.43 -0.10 0.00 -1.56 0.00 0.00 34.95 29.66 1ek4 s ARG 30 CO 0.55 0.05 0.97 0.45 -0.81 0.00 0.00 175.30 176.51 1ek4 s SER 31 N 0.67 7.16 0.00 -2.12 0.15 -1.26 -4.80 113.70 113.50 1ek4 s SER 31 Ca 0.48 1.85 0.09 0.00 0.70 0.00 0.00 55.95 59.06 1ek4 s SER 31 Cb -0.21 -2.57 0.24 0.00 -1.71 0.00 0.00 66.02 61.76 1ek4 s SER 31 CO 0.26 -0.20 1.18 0.61 1.20 0.00 0.00 173.24 176.30 1ek4 n GLY 32 N 0.30 2.57 3.76 9.45 0.00 0.07 -4.97 105.19 116.38 1ek4 n GLY 32 Ca 0.03 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.98 4.79 0.19 -0.61 -1.09 -1.26 -4.02 121.20 118.23 1ek4 s ILE 33 Ca 0.18 1.39 0.01 0.00 -2.23 0.00 0.00 60.65 60.01 1ek4 s ILE 33 Cb 0.10 -4.00 -0.05 0.00 -1.58 0.00 0.00 42.46 36.93 1ek4 s ILE 33 CO 0.13 0.43 0.05 0.42 -1.23 0.00 0.00 174.94 174.74 1ek4 s THR 34 N -0.35 0.50 0.29 2.92 -4.23 -0.42 -4.25 115.64 110.10 1ek4 s THR 34 Ca 0.33 -1.98 -0.29 0.00 -1.18 0.00 0.00 61.69 58.58 1ek4 s THR 34 Cb -0.19 -2.29 -0.09 0.00 1.34 0.00 0.00 72.50 71.26 1ek4 s THR 34 CO 0.20 -0.29 1.06 0.12 -0.54 0.00 0.00 174.62 175.17 1ek4 s PHE 35 N -3.79 3.62 -0.25 3.99 5.36 -1.26 -1.75 117.98 123.91 1ek4 s PHE 35 Ca 0.29 1.74 0.00 0.00 -0.96 0.00 0.00 56.93 58.00 1ek4 s PHE 35 Cb 0.07 -3.20 0.04 0.00 -0.34 0.00 0.00 43.02 39.59 1ek4 s PHE 35 CO 0.07 -0.36 -0.09 0.45 -1.46 0.00 0.00 175.22 173.84 1ek4 s SER 36 N -1.03 4.27 0.32 6.13 0.15 0.65 -4.88 113.70 119.30 1ek4 s SER 36 Ca 0.46 -1.07 0.09 0.00 0.70 0.00 0.00 55.95 56.12 1ek4 s SER 36 Cb -0.29 -1.61 0.54 0.00 -1.71 0.00 0.00 66.02 62.94 1ek4 s SER 36 CO 0.37 -0.15 1.74 -0.61 1.20 0.00 0.00 173.24 175.80 1ek4 h GLN 37 N 7.92 0.16 0.03 5.44 5.75 -1.96 -2.73 115.11 129.72 1ek4 h GLN 37 Ca -0.29 -0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.14 1ek4 h GLN 37 Cb 1.08 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.63 1ek4 h GLN 37 CO 0.54 0.54 -0.01 1.49 -2.65 0.00 0.00 178.83 178.74 1ek4 h GLU 38 N 0.14 -0.03 -0.79 1.69 4.81 -1.96 0.29 114.58 118.73 1ek4 h GLU 38 Ca 0.01 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1ek4 h GLU 38 Cb 0.77 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.12 1ek4 h GLU 38 CO 0.06 -0.01 0.40 -0.07 -0.73 0.00 0.00 179.01 178.66 1ek4 h LEU 39 N -0.05 1.01 -0.20 1.64 3.38 -1.87 -2.25 115.31 116.97 1ek4 h LEU 39 Ca -0.00 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 1ek4 h LEU 39 Cb 0.04 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1ek4 h LEU 39 CO 0.01 0.85 0.05 0.50 0.09 0.00 0.00 178.44 179.94 1ek4 h LYS 40 N 1.10 0.31 0.00 1.13 3.64 -1.22 -2.82 116.57 118.71 1ek4 h LYS 40 Ca 0.27 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1ek4 h LYS 40 Cb 0.09 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1ek4 h LYS 40 CO -0.04 0.43 -0.02 -0.44 -2.27 0.00 0.00 179.45 177.12 1ek4 h ASP 41 N 0.14 0.00 0.89 4.20 3.32 -0.80 -1.66 116.42 122.51 1ek4 h ASP 41 Ca 0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1ek4 h ASP 41 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 1ek4 h ASP 41 CO -0.00 0.02 0.00 0.77 -1.72 0.00 0.00 179.24 178.31 1ek4 h SER 42 N 0.00 0.00 0.00 6.45 4.64 -1.15 -3.46 113.55 120.02 1ek4 h SER 42 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1ek4 h SER 42 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1ek4 h SER 42 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1ek4 n GLY 43 N -0.03 0.92 3.81 -0.77 0.00 -0.62 -5.10 105.19 103.40 1ek4 n GLY 43 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.85 1.98 0.01 1.61 -1.94 -1.17 -4.99 119.30 113.95 1ek4 s MET 44 Ca 0.00 0.57 0.20 0.00 -1.71 0.00 0.00 55.69 54.75 1ek4 s MET 44 Cb 0.00 -1.91 -0.20 0.00 2.01 0.00 0.00 34.83 34.72 1ek4 s MET 44 CO 0.00 -1.67 0.60 0.54 -0.01 0.00 0.00 175.02 174.48 1ek4 n ARG 45 N -3.46 0.64 -3.35 2.03 1.74 -1.26 -4.76 116.66 108.25 1ek4 n ARG 45 Ca 0.07 0.01 -0.39 0.00 -0.77 0.00 0.00 57.85 56.77 1ek4 n ARG 45 Cb 0.57 -1.66 -0.08 0.00 -1.02 0.00 0.00 32.46 30.27 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 -5.20 6.33 -0.20 0.55 0.15 -1.26 -4.71 113.70 109.37 1ek4 s SER 46 Ca -0.06 0.39 0.15 0.00 0.70 0.00 0.00 55.95 57.13 1ek4 s SER 46 Cb 0.10 -2.23 0.45 0.00 -1.71 0.00 0.00 66.02 62.63 1ek4 s SER 46 CO 0.85 -0.19 1.34 1.41 1.20 0.00 0.00 173.24 177.84 1ek4 n HIS 47 N 5.21 0.61 -4.33 3.44 8.25 -1.26 -4.60 115.22 122.54 1ek4 n HIS 47 Ca -0.07 -1.17 -0.21 0.00 -0.26 0.00 0.00 57.72 56.01 1ek4 n HIS 47 Cb 0.51 -0.31 -0.13 0.00 1.12 0.00 0.00 29.99 31.18 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 -3.00 1.29 0.16 1.59 -7.23 -1.26 -0.25 120.40 111.70 1ek4 s VAL 48 Ca 0.40 -1.21 -0.18 0.00 -1.81 0.00 0.00 61.98 59.17 1ek4 s VAL 48 Cb 0.34 -1.18 0.04 0.00 0.56 0.00 0.00 36.38 36.14 1ek4 s VAL 48 CO 0.03 -0.05 0.49 -1.66 -0.31 0.00 0.00 175.10 173.60 1ek4 s TRP 49 N -1.02 -0.22 -0.82 2.82 -2.14 -0.71 -4.42 118.94 112.42 1ek4 s TRP 49 Ca 0.02 -0.09 -0.12 0.00 2.66 0.00 0.00 56.10 58.57 1ek4 s TRP 49 Cb -0.09 0.37 0.22 0.00 -3.10 0.00 0.00 33.47 30.87 1ek4 s TRP 49 CO 0.02 -0.83 0.74 0.20 -2.66 0.00 0.00 176.95 174.43 1ek4 s GLY 50 N -2.83 2.68 0.31 3.67 0.00 -0.26 -1.29 107.32 109.60 1ek4 s GLY 50 Ca 0.05 -3.36 -0.09 0.00 0.00 0.00 0.00 44.72 41.33 1ek4 s GLY 50 CO -0.08 1.24 0.63 0.54 0.00 0.00 0.00 173.10 175.43 1ek4 s ASN 51 N 1.87 6.55 -0.32 1.64 6.03 -1.26 -2.25 114.94 127.20 1ek4 s ASN 51 Ca 0.19 0.93 -0.27 0.00 -1.03 0.00 0.00 52.86 52.68 1ek4 s ASN 51 Cb -0.11 -2.23 0.01 0.00 -3.03 0.00 0.00 41.25 35.88 1ek4 s ASN 51 CO -0.08 -0.21 0.95 -0.69 -2.03 0.00 0.00 177.10 175.03 1ek4 s VAL 52 N -2.07 4.63 -1.35 3.54 1.01 -1.26 -4.21 120.40 120.69 1ek4 s VAL 52 Ca 0.48 1.48 -0.14 0.00 0.00 0.00 0.00 61.98 63.79 1ek4 s VAL 52 Cb -0.11 -4.30 0.09 0.00 0.00 0.00 0.00 36.38 32.06 1ek4 s VAL 52 CO 0.27 -0.39 1.91 0.29 0.00 0.00 0.00 175.10 177.18 1ek4 n LYS 53 N 6.59 3.17 -3.64 2.72 4.76 -1.26 -4.86 118.16 125.64 1ek4 n LYS 53 Ca 0.08 -3.14 -0.10 0.00 -2.87 0.00 0.00 58.31 52.28 1ek4 n LYS 53 Cb 0.48 -3.25 -0.07 0.00 -1.84 0.00 0.00 35.03 30.35 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 2.25 -0.75 -0.47 -0.35 2.96 -1.26 -4.96 118.68 116.10 1ek4 s LEU 54 Ca 0.47 1.34 -0.20 0.00 -0.22 0.00 0.00 54.13 55.51 1ek4 s LEU 54 Cb 0.08 2.30 0.04 0.00 0.50 0.00 0.00 46.19 49.10 1ek4 s LEU 54 CO -0.01 -0.22 0.64 -0.62 -1.32 0.00 0.00 176.35 174.82 1ek4 s ASP 55 N 0.86 6.28 0.00 3.68 2.15 -1.26 -4.92 116.67 123.46 1ek4 s ASP 55 Ca -0.04 -0.55 0.29 0.00 0.43 0.00 0.00 52.55 52.68 1ek4 s ASP 55 Cb -0.05 -2.31 1.51 0.00 -0.30 0.00 0.00 42.92 41.77 1ek4 s ASP 55 CO -0.08 -0.83 2.01 0.35 -0.17 0.00 0.00 175.17 176.45 1ek4 n THR 56 N 5.77 0.06 -1.63 1.71 -2.24 -1.26 -4.88 114.28 111.80 1ek4 n THR 56 Ca -0.03 0.01 -0.48 0.00 -2.27 0.00 0.00 64.05 61.28 1ek4 n THR 56 Cb 0.47 -0.54 -0.04 0.00 -2.10 0.00 0.00 70.33 68.11 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 -1.23 0.40 -0.79 4.28 -1.04 -1.26 -1.93 114.28 112.71 1ek4 n THR 57 Ca 0.15 -0.10 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 1ek4 n THR 57 Cb 0.20 -1.20 0.00 0.00 -1.82 0.00 0.00 70.33 67.51 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 2.60 0.46 0.16 3.41 0.00 -1.26 -4.85 105.19 105.70 1ek4 n GLY 58 Ca 0.16 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.30 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 -8.49 0.99 3.38 -1.73 -3.45 115.31 106.02 1ek4 h LEU 59 Ca 0.00 -0.00 -0.58 0.00 0.09 0.00 0.00 57.88 57.39 1ek4 h LEU 59 Cb 0.09 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 40.56 1ek4 h LEU 59 CO 0.00 0.00 -0.84 -0.63 0.09 0.00 0.00 178.44 177.06 1ek4 s ILE 60 N -3.15 1.63 0.26 1.22 1.01 -1.26 -5.10 121.20 115.80 1ek4 s ILE 60 Ca 0.09 -1.06 -0.30 0.00 0.00 0.00 0.00 60.65 59.38 1ek4 s ILE 60 Cb 0.09 -1.39 -0.14 0.00 0.01 0.00 0.00 42.46 41.03 1ek4 s ILE 60 CO 0.63 0.30 1.18 -0.67 0.00 0.00 0.00 174.94 176.37 1ek4 n ASP 61 N 2.13 1.86 -0.15 3.58 2.03 -1.26 -4.69 116.55 120.05 1ek4 n ASP 61 Ca -0.16 1.17 -0.04 0.00 0.52 0.00 0.00 54.79 56.27 1ek4 n ASP 61 Cb 0.53 -1.33 0.02 0.00 -0.72 0.00 0.00 41.12 39.62 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 2.88 -0.10 0.00 -0.67 3.08 -1.98 0.37 114.38 117.96 1ek4 h ARG 62 Ca -0.43 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 59.61 1ek4 h ARG 62 Cb 1.32 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.39 1ek4 h ARG 62 CO 0.66 -0.07 -0.11 0.87 -1.07 0.00 0.00 179.97 180.26 1ek4 h LYS 63 N -0.10 0.00 0.09 0.04 1.57 -2.02 -2.56 116.57 113.59 1ek4 h LYS 63 Ca 0.23 0.00 -0.28 0.00 -1.87 0.00 0.00 60.65 58.73 1ek4 h LYS 63 Cb 0.46 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1ek4 h LYS 63 CO -0.55 0.11 -1.45 0.28 -0.57 0.00 0.00 179.45 177.27 1ek4 h VAL 64 N 0.00 0.95 0.00 0.50 2.07 -1.59 -3.38 116.25 114.81 1ek4 h VAL 64 Ca -0.00 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.18 1ek4 h VAL 64 Cb 0.28 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 1ek4 h VAL 64 CO 0.01 0.66 0.00 1.62 0.02 0.00 0.00 177.57 179.88 1ek4 h VAL 65 N -0.40 0.00 0.00 2.57 3.04 -0.91 -3.14 116.25 117.41 1ek4 h VAL 65 Ca -0.33 -0.41 -0.00 0.00 -1.01 0.00 0.00 66.70 64.95 1ek4 h VAL 65 Cb 1.69 1.28 -0.00 0.00 -2.01 0.00 0.00 31.29 32.26 1ek4 h VAL 65 CO 0.01 0.00 -0.02 0.08 -1.01 0.00 0.00 177.57 176.62 1ek4 h ARG 66 N 0.00 0.00 -0.01 4.17 0.11 -1.63 -1.71 114.38 115.32 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 0.49 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.57 1ek4 h ARG 66 CO 0.00 0.02 -0.46 1.19 0.10 0.00 0.00 179.97 180.83 1ek4 n PHE 67 N -3.30 0.00 -3.93 4.08 3.01 -1.19 -4.86 117.46 111.27 1ek4 n PHE 67 Ca -0.02 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 58.12 1ek4 n PHE 67 Cb 0.15 -0.10 -0.04 0.00 -0.01 0.00 0.00 39.48 39.47 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 -2.65 3.38 0.45 -1.08 -1.94 -0.64 -3.08 119.30 113.73 1ek4 s MET 68 Ca 0.18 -0.43 0.08 0.00 -1.71 0.00 0.00 55.69 53.81 1ek4 s MET 68 Cb 0.18 -3.02 0.00 0.00 2.01 0.00 0.00 34.83 34.00 1ek4 s MET 68 CO 0.61 0.63 0.48 -1.54 -0.01 0.00 0.00 175.02 175.18 1ek4 s SER 69 N -2.32 5.18 0.26 3.03 1.04 -1.26 -4.93 113.70 114.70 1ek4 s SER 69 Ca 0.32 -0.72 -0.01 0.00 0.48 0.00 0.00 55.95 56.02 1ek4 s SER 69 Cb -0.13 -0.41 0.48 0.00 0.10 0.00 0.00 66.02 66.06 1ek4 s SER 69 CO 0.25 -0.80 1.82 0.44 0.98 0.00 0.00 173.24 175.93 1ek4 h ASP 70 N 0.81 0.81 -0.57 7.02 3.32 -1.94 -1.40 116.42 124.46 1ek4 h ASP 70 Ca -0.39 0.05 0.08 0.00 0.02 0.00 0.00 57.03 56.78 1ek4 h ASP 70 Cb 1.28 -0.11 -0.06 0.00 0.22 0.00 0.00 39.33 40.65 1ek4 h ASP 70 CO 0.52 0.44 0.23 0.00 -1.72 0.00 0.00 179.24 178.72 1ek4 h ALA 71 N 1.50 0.73 -0.33 3.45 0.00 -1.87 0.97 119.26 123.72 1ek4 h ALA 71 Ca 0.45 0.07 -0.12 0.00 0.00 0.00 0.00 54.91 55.31 1ek4 h ALA 71 Cb 0.43 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1ek4 h ALA 71 CO -0.26 -0.17 -0.27 0.77 0.00 0.00 0.00 179.25 179.32 1ek4 h SER 72 N 0.43 0.70 -0.18 0.00 0.02 -1.70 -1.97 113.55 110.84 1ek4 h SER 72 Ca 0.28 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 60.96 1ek4 h SER 72 Cb 0.30 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1ek4 h SER 72 CO -0.26 0.94 0.07 0.40 -1.14 0.00 0.00 176.83 176.84 1ek4 h ILE 73 N 0.59 1.16 -0.68 3.27 2.04 -0.25 0.17 117.51 123.81 1ek4 h ILE 73 Ca 0.07 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 1ek4 h ILE 73 Cb 0.77 1.15 -0.03 0.00 -0.74 0.00 0.00 36.82 37.97 1ek4 h ILE 73 CO 0.06 0.16 0.36 1.88 0.00 0.00 0.00 178.15 180.61 1ek4 h TYR 74 N 0.14 0.95 -0.55 1.37 0.05 -0.77 -1.54 116.97 116.62 1ek4 h TYR 74 Ca 0.06 -0.03 -0.10 0.00 0.05 0.00 0.00 58.73 58.71 1ek4 h TYR 74 Cb 0.18 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 37.60 1ek4 h TYR 74 CO -0.01 0.69 -0.05 0.00 -1.05 0.00 0.00 178.16 177.74 1ek4 h ALA 75 N 1.18 0.87 0.24 3.88 0.00 -1.20 -2.09 119.26 122.15 1ek4 h ALA 75 Ca 0.24 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1ek4 h ALA 75 Cb 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1ek4 h ALA 75 CO -0.04 0.65 -0.12 0.35 0.00 0.00 0.00 179.25 180.10 1ek4 h PHE 76 N 0.90 -0.30 -0.99 0.00 3.57 -0.31 -0.26 116.94 119.55 1ek4 h PHE 76 Ca 0.15 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.69 1ek4 h PHE 76 Cb 0.59 0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.37 1ek4 h PHE 76 CO 0.04 -0.14 0.64 -0.07 -2.23 0.00 0.00 178.31 176.55 1ek4 h LEU 77 N -0.39 1.06 -0.91 0.59 3.38 -1.26 -1.04 115.31 116.75 1ek4 h LEU 77 Ca -0.03 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 1ek4 h LEU 77 Cb 0.30 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 1ek4 h LEU 77 CO 0.05 0.71 0.12 0.28 0.09 0.00 0.00 178.44 179.69 1ek4 h SER 78 N 1.22 0.87 -0.44 -0.43 0.02 -1.10 -2.40 113.55 111.29 1ek4 h SER 78 Ca 0.40 -0.18 -0.12 0.00 -0.84 0.00 0.00 61.79 61.05 1ek4 h SER 78 Cb 0.06 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.35 1ek4 h SER 78 CO -0.14 0.86 -0.19 -0.03 -1.14 0.00 0.00 176.83 176.19 1ek4 h MET 79 N 0.88 0.95 -0.63 3.45 1.85 0.04 -0.83 114.93 120.63 1ek4 h MET 79 Ca 0.19 -0.39 0.04 0.00 -0.61 0.00 0.00 59.70 58.93 1ek4 h MET 79 Cb 0.35 -0.04 -0.05 0.00 0.43 0.00 0.00 31.60 32.30 1ek4 h MET 79 CO 0.00 1.05 0.37 0.93 -0.40 0.00 0.00 176.91 178.86 1ek4 h GLU 80 N 0.82 0.69 -0.40 0.39 5.08 -0.91 0.10 114.58 120.35 1ek4 h GLU 80 Ca 0.11 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1ek4 h GLU 80 Cb 0.75 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1ek4 h GLU 80 CO 0.06 0.45 0.20 1.96 -1.00 0.00 0.00 179.01 180.68 1ek4 h GLN 81 N 0.71 0.58 -0.63 2.33 4.20 -1.15 -2.68 115.11 118.46 1ek4 h GLN 81 Ca 0.27 -0.08 -0.00 0.00 0.06 0.00 0.00 58.65 58.89 1ek4 h GLN 81 Cb 0.10 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 1ek4 h GLN 81 CO -0.14 0.50 0.38 0.00 -0.67 0.00 0.00 178.83 178.90 1ek4 h ALA 82 N 1.05 0.80 -0.33 3.87 0.00 -0.43 0.57 119.26 124.78 1ek4 h ALA 82 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1ek4 h ALA 82 Cb 0.11 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1ek4 h ALA 82 CO -0.02 0.29 0.21 0.82 0.00 0.00 0.00 179.25 180.55 1ek4 h ILE 83 N 0.85 1.10 -0.27 0.00 2.04 -0.92 0.83 117.51 121.14 1ek4 h ILE 83 Ca 0.23 -0.21 -0.03 0.00 1.00 0.00 0.00 64.86 65.84 1ek4 h ILE 83 Cb -0.02 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1ek4 h ILE 83 CO -0.04 0.10 0.03 0.00 0.00 0.00 0.00 178.15 178.24 1ek4 h ALA 84 N 1.10 0.36 -0.76 1.87 0.00 -1.25 -1.94 119.26 118.65 1ek4 h ALA 84 Ca 0.12 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1ek4 h ALA 84 Cb -0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 1ek4 h ALA 84 CO -0.02 0.06 0.50 0.22 0.00 0.00 0.00 179.25 180.00 1ek4 h ASP 85 N 0.26 0.83 1.10 0.00 3.58 -0.66 -1.30 116.42 120.23 1ek4 h ASP 85 Ca 0.08 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.52 1ek4 h ASP 85 Cb 0.35 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.20 1ek4 h ASP 85 CO 0.01 0.58 0.00 0.00 -2.88 0.00 0.00 179.24 176.95 1ek4 n ALA 86 N -2.42 2.19 -2.44 -0.78 0.00 0.27 -4.80 120.51 112.52 1ek4 n ALA 86 Ca 0.09 -0.05 -0.11 0.00 0.00 0.00 0.00 53.44 53.37 1ek4 n ALA 86 Cb 0.08 -1.44 0.01 0.00 0.00 0.00 0.00 19.45 18.10 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 1.15 0.02 3.74 0.00 0.00 -0.49 -4.79 105.19 104.81 1ek4 n GLY 87 Ca 0.06 -0.38 -0.37 0.00 0.00 0.00 0.00 46.02 45.33 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 -3.33 4.27 0.36 0.99 1.43 -0.97 -5.06 118.68 116.37 1ek4 s LEU 88 Ca 0.09 0.55 -0.01 0.00 -1.03 0.00 0.00 54.13 53.72 1ek4 s LEU 88 Cb -0.04 -2.39 -0.04 0.00 0.03 0.00 0.00 46.19 43.76 1ek4 s LEU 88 CO 0.11 0.12 0.59 -0.94 0.23 0.00 0.00 176.35 176.45 1ek4 s SER 89 N 0.31 6.31 0.29 2.29 1.04 -1.26 -4.76 113.70 117.92 1ek4 s SER 89 Ca 0.17 0.57 0.04 0.00 0.48 0.00 0.00 55.95 57.22 1ek4 s SER 89 Cb -0.13 -2.08 0.72 0.00 0.10 0.00 0.00 66.02 64.63 1ek4 s SER 89 CO 0.05 -0.32 1.72 -0.65 0.98 0.00 0.00 173.24 175.01 1ek4 h PRO 90 N 0.82 0.48 0.00 4.02 0.11 -1.99 0.11 132.00 135.55 1ek4 h PRO 90 Ca -0.49 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1ek4 h PRO 90 Cb 1.21 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1ek4 h PRO 90 CO 0.62 0.32 0.00 -0.85 -0.21 0.00 0.00 178.00 177.88 1ek4 n GLU 91 N -4.96 0.11 0.02 1.05 0.00 -1.26 -1.04 120.64 114.55 1ek4 n GLU 91 Ca 0.22 0.43 -0.02 0.00 0.00 0.00 0.00 57.16 57.79 1ek4 n GLU 91 Cb 0.63 -1.75 -0.10 0.00 0.00 0.00 0.00 31.44 30.22 1ek4 n GLU 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ek4 n ALA 92 N -1.67 1.85 0.00 -1.84 0.00 0.37 -4.59 120.51 114.62 1ek4 n ALA 92 Ca 0.02 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.85 1ek4 n ALA 92 Cb 0.15 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.69 1ek4 n ALA 92 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1ek4 n TYR 93 N -2.90 0.00 -2.99 0.00 0.18 -1.13 -4.95 117.16 105.37 1ek4 n TYR 93 Ca -0.12 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.31 1ek4 n TYR 93 Cb 0.88 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.78 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 -1.79 4.30 -1.62 -3.48 -0.21 -0.21 -3.91 119.66 112.74 1ek4 s GLN 94 Ca 0.00 0.99 -0.15 0.00 0.02 0.00 0.00 55.36 56.22 1ek4 s GLN 94 Cb 0.00 -2.72 0.12 0.00 1.00 0.00 0.00 33.01 31.41 1ek4 s GLN 94 CO 0.00 0.28 0.78 0.09 -2.12 0.00 0.00 175.29 174.33 1ek4 n ASN 95 N 0.37 -3.24 -4.03 5.90 3.02 0.43 -4.84 115.26 112.86 1ek4 n ASN 95 Ca 0.01 -0.96 -0.31 0.00 -0.03 0.00 0.00 54.58 53.29 1ek4 n ASN 95 Cb 0.51 -3.06 -0.16 0.00 -0.61 0.00 0.00 39.78 36.46 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 -3.45 3.81 0.62 6.41 3.84 -1.25 -4.95 114.94 119.96 1ek4 s ASN 96 Ca 0.62 -1.08 0.39 0.00 0.21 0.00 0.00 52.86 53.00 1ek4 s ASN 96 Cb -0.33 -1.38 2.11 0.00 -0.55 0.00 0.00 41.25 41.10 1ek4 s ASN 96 CO 0.90 -0.15 2.19 -0.65 -2.79 0.00 0.00 177.10 176.60 1ek4 h PRO 97 N 7.89 0.00 -0.29 0.43 0.11 -1.92 -1.86 132.00 136.35 1ek4 h PRO 97 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1ek4 h PRO 97 Cb 1.08 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1ek4 h PRO 97 CO 0.49 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.82 1ek4 n ARG 98 N -2.92 1.93 -4.62 1.05 5.12 -1.26 -4.04 116.66 111.92 1ek4 n ARG 98 Ca -0.03 -1.41 -0.31 0.00 -1.93 0.00 0.00 57.85 54.17 1ek4 n ARG 98 Cb 0.12 -1.38 -0.17 0.00 -1.16 0.00 0.00 32.46 29.87 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 -1.62 1.83 0.22 1.55 1.01 -0.70 -0.39 120.40 122.31 1ek4 s VAL 99 Ca 0.31 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.46 1ek4 s VAL 99 Cb 0.17 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 1ek4 s VAL 99 CO 0.24 0.51 0.05 0.61 0.00 0.00 0.00 175.10 176.51 1ek4 n GLY 100 N 4.08 3.73 3.11 4.51 0.00 -0.20 -0.74 105.19 119.68 1ek4 n GLY 100 Ca -0.20 -2.09 -0.12 0.00 0.00 0.00 0.00 46.02 43.61 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 -0.02 -0.25 0.99 0.20 -0.01 -0.92 118.68 118.67 1ek4 s LEU 101 Ca 0.08 0.67 -0.01 0.00 0.69 0.00 0.00 54.13 55.55 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 -0.20 0.05 -0.63 -0.29 0.00 0.00 176.35 175.33 1ek4 s ILE 102 N 1.78 0.84 -0.08 6.68 1.01 -0.29 -2.95 121.20 128.19 1ek4 s ILE 102 Ca -0.05 -1.05 -0.14 0.00 0.00 0.00 0.00 60.65 59.40 1ek4 s ILE 102 Cb -0.11 -1.44 0.03 0.00 0.01 0.00 0.00 42.46 40.95 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 1.68 -0.88 0.19 9.38 0.00 -1.17 -2.67 121.76 128.27 1ek4 s ALA 103 Ca 0.03 0.71 -0.02 0.00 0.00 0.00 0.00 51.96 52.69 1ek4 s ALA 103 Cb -0.17 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.69 1ek4 s ALA 103 CO -0.16 -0.22 0.27 0.41 0.00 0.00 0.00 175.76 176.06 1ek4 n GLY 104 N 2.05 2.45 3.29 0.00 0.00 -1.08 -3.42 105.19 108.48 1ek4 n GLY 104 Ca -0.17 -1.45 -0.16 0.00 0.00 0.00 0.00 46.02 44.24 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 -2.12 1.52 0.03 1.61 1.04 -1.26 -2.29 113.70 112.24 1ek4 s SER 105 Ca 0.14 -1.21 -0.09 0.00 0.48 0.00 0.00 55.95 55.27 1ek4 s SER 105 Cb -0.01 0.07 -0.31 0.00 0.10 0.00 0.00 66.02 65.87 1ek4 s SER 105 CO 0.10 -0.55 0.98 1.23 0.98 0.00 0.00 173.24 175.98 1ek4 h GLY 106 N 2.56 0.43 -0.00 7.32 0.00 -1.82 -3.41 103.07 108.15 1ek4 h GLY 106 Ca -0.38 -1.11 0.00 0.00 0.00 0.00 0.00 47.33 45.84 1ek4 h GLY 106 CO 0.63 0.97 -0.00 0.61 0.00 0.00 0.00 176.54 178.76 1ek4 n GLY 107 N 1.66 1.36 7.00 4.60 0.00 -1.26 -4.73 105.19 113.82 1ek4 n GLY 107 Ca -0.15 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.37 2.53 2.54 -0.02 0.00 -1.26 -4.07 105.19 104.54 1ek4 n GLY 108 Ca 0.00 0.02 -0.23 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 1.53 0.41 1.61 0.15 -1.25 -4.68 113.70 107.47 1ek4 s SER 109 Ca 0.00 -2.33 0.10 0.00 0.70 0.00 0.00 55.95 54.42 1ek4 s SER 109 Cb 0.00 0.04 0.90 0.00 -1.71 0.00 0.00 66.02 65.25 1ek4 s SER 109 CO 0.00 -0.22 2.01 -0.65 1.20 0.00 0.00 173.24 175.57 1ek4 h PRO 110 N 6.33 0.52 -0.09 5.44 0.11 -1.92 -1.86 132.00 140.52 1ek4 h PRO 110 Ca 0.14 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.21 1ek4 h PRO 110 Cb 0.98 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 1ek4 h PRO 110 CO 0.26 0.35 0.06 -0.09 -0.21 0.00 0.00 178.00 178.37 1ek4 h ARG 111 N 0.54 0.13 0.00 1.05 2.43 -1.93 -1.31 114.38 115.29 1ek4 h ARG 111 Ca 0.24 -0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.36 1ek4 h ARG 111 Cb 0.25 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1ek4 h ARG 111 CO -0.07 0.12 -0.19 0.74 -1.51 0.00 0.00 179.97 179.06 1ek4 h PHE 112 N 0.10 0.00 -0.21 2.20 -1.00 -1.84 -0.73 116.94 115.45 1ek4 h PHE 112 Ca 0.03 0.00 -0.13 0.00 2.81 0.00 0.00 57.97 60.69 1ek4 h PHE 112 Cb 0.02 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.58 1ek4 h PHE 112 CO -0.06 0.19 -0.37 0.37 -1.61 0.00 0.00 178.31 176.83 1ek4 h GLN 113 N 0.00 0.62 -0.46 1.51 5.75 -1.18 -1.53 115.11 119.81 1ek4 h GLN 113 Ca -0.00 -0.39 -0.11 0.00 -0.15 0.00 0.00 58.65 58.00 1ek4 h GLN 113 Cb 0.99 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 29.57 1ek4 h GLN 113 CO 0.02 1.00 -0.16 0.28 -2.65 0.00 0.00 178.83 177.32 1ek4 h VAL 114 N 0.31 1.27 -0.43 2.39 2.07 -1.15 -2.37 116.25 118.33 1ek4 h VAL 114 Ca 0.01 -1.29 0.03 0.00 0.82 0.00 0.00 66.70 66.27 1ek4 h VAL 114 Cb 0.96 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 1ek4 h VAL 114 CO 0.08 0.44 0.23 0.15 0.02 0.00 0.00 177.57 178.50 1ek4 h PHE 115 N 0.78 0.44 -0.46 1.57 3.57 -1.01 0.44 116.94 122.26 1ek4 h PHE 115 Ca 0.12 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1ek4 h PHE 115 Cb 0.69 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.28 1ek4 h PHE 115 CO 0.04 0.24 0.25 0.78 -2.23 0.00 0.00 178.31 177.39 1ek4 h GLY 116 N 0.47 0.69 1.00 2.40 0.00 -1.11 0.11 103.07 106.64 1ek4 h GLY 116 Ca 0.18 -0.31 -0.05 0.00 0.00 0.00 0.00 47.33 47.14 1ek4 h GLY 116 CO -0.10 0.30 0.15 0.00 0.00 0.00 0.00 176.54 176.89 1ek4 h ALA 117 N 1.10 0.75 -0.36 3.60 0.00 -1.13 -0.55 119.26 122.67 1ek4 h ALA 117 Ca 0.16 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1ek4 h ALA 117 Cb 0.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1ek4 h ALA 117 CO -0.03 0.44 0.10 -0.44 0.00 0.00 0.00 179.25 179.32 1ek4 h ASP 118 N 0.81 0.53 -0.47 0.00 3.45 -0.68 -2.49 116.42 117.56 1ek4 h ASP 118 Ca 0.18 -0.22 -0.02 0.00 0.43 0.00 0.00 57.03 57.40 1ek4 h ASP 118 Cb 0.32 -0.14 -0.02 0.00 -0.56 0.00 0.00 39.33 38.93 1ek4 h ASP 118 CO -0.00 0.61 0.22 0.00 -1.57 0.00 0.00 179.24 178.50 1ek4 h ALA 119 N 0.94 0.61 -0.69 3.45 0.00 -0.63 -2.81 119.26 120.13 1ek4 h ALA 119 Ca 0.11 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1ek4 h ALA 119 Cb 0.28 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.85 1ek4 h ALA 119 CO -0.00 0.19 0.46 1.98 0.00 0.00 0.00 179.25 181.87 1ek4 h MET 120 N 0.62 0.88 -0.00 0.00 1.85 -1.01 -2.05 114.93 115.23 1ek4 h MET 120 Ca 0.16 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.20 1ek4 h MET 120 Cb 0.14 -0.20 0.00 0.00 0.43 0.00 0.00 31.60 31.97 1ek4 h MET 120 CO -0.02 0.58 -0.01 0.54 -0.40 0.00 0.00 176.91 177.61 1ek4 n ARG 121 N -4.44 1.04 -1.57 0.39 1.74 -0.95 -4.20 116.66 108.67 1ek4 n ARG 121 Ca 0.08 -0.17 -0.12 0.00 -0.77 0.00 0.00 57.85 56.87 1ek4 n ARG 121 Cb 0.06 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.06 1ek4 n ARG 121 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ek4 n GLY 122 N 1.07 0.60 0.19 -0.13 0.00 -0.77 -4.98 105.19 101.17 1ek4 n GLY 122 Ca 0.22 -1.98 0.14 0.00 0.00 0.00 0.00 46.02 44.40 1ek4 n GLY 122 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ek4 h PRO 123 N 0.00 0.00 -0.05 1.61 0.13 -1.90 -3.00 132.00 128.80 1ek4 h PRO 123 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.96 1ek4 h PRO 123 Cb 0.62 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.75 1ek4 h PRO 123 CO 0.18 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.49 1ek4 n ARG 124 N -2.45 0.64 0.00 0.86 1.74 -1.26 -5.06 116.66 111.13 1ek4 n ARG 124 Ca -0.01 -1.18 0.00 0.00 -0.77 0.00 0.00 57.85 55.89 1ek4 n ARG 124 Cb 0.11 -1.19 0.00 0.00 -1.02 0.00 0.00 32.46 30.36 1ek4 n ARG 124 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ek4 n GLY 125 N 0.53 2.54 0.42 -0.13 0.00 -1.14 -1.53 105.19 105.88 1ek4 n GLY 125 Ca 0.06 0.03 0.23 0.00 0.00 0.00 0.00 46.02 46.34 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 0.40 -1.24 0.99 3.38 -1.86 -0.07 115.31 116.90 1ek4 h LEU 126 Ca 0.00 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 1ek4 h LEU 126 Cb 0.00 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1ek4 h LEU 126 CO 0.00 0.10 0.09 0.11 0.09 0.00 0.00 178.44 178.83 1ek4 h LYS 127 N 0.36 0.61 0.00 1.13 1.57 -1.67 -2.61 116.57 115.97 1ek4 h LYS 127 Ca 0.56 -0.11 -0.18 0.00 -1.87 0.00 0.00 60.65 59.04 1ek4 h LYS 127 Cb 1.47 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.66 1ek4 h LYS 127 CO -0.24 0.57 -0.85 0.00 -0.57 0.00 0.00 179.45 178.36 1ek4 h ALA 128 N 1.51 0.59 -0.49 3.86 0.00 -0.97 -3.26 119.26 120.49 1ek4 h ALA 128 Ca 0.14 -0.74 -0.05 0.00 0.00 0.00 0.00 54.91 54.26 1ek4 h ALA 128 Cb 0.24 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1ek4 h ALA 128 CO -0.00 0.98 0.12 0.28 0.00 0.00 0.00 179.25 180.63 1ek4 h VAL 129 N 0.04 1.24 0.00 0.00 2.07 -1.19 -3.48 116.25 114.93 1ek4 h VAL 129 Ca -0.02 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.65 1ek4 h VAL 129 Cb 1.48 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1ek4 h VAL 129 CO 0.12 0.31 0.00 0.61 0.02 0.00 0.00 177.57 178.62 1ek4 n GLY 130 N -0.60 -1.92 1.01 2.17 0.00 -1.08 -4.63 105.19 100.14 1ek4 n GLY 130 Ca 0.01 -1.51 0.08 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.31 2.39 -0.05 1.61 -0.04 -1.26 -4.40 135.00 130.93 1ek4 n PRO 131 Ca 0.00 -1.88 0.04 0.00 -0.04 0.00 0.00 63.50 61.62 1ek4 n PRO 131 Cb 0.00 -1.48 0.07 0.00 -0.04 0.00 0.00 33.50 32.05 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 0.92 0.14 -0.07 0.54 4.01 -1.26 -4.70 117.16 116.73 1ek4 n TYR 132 Ca 0.17 -0.19 -0.08 0.00 -0.16 0.00 0.00 57.90 57.64 1ek4 n TYR 132 Cb 0.49 -0.01 0.09 0.00 -0.31 0.00 0.00 39.34 39.61 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 1.65 1.27 -0.24 -0.72 2.07 -1.82 -3.18 116.25 115.28 1ek4 h VAL 133 Ca 0.00 -1.37 0.04 0.00 0.82 0.00 0.00 66.70 66.19 1ek4 h VAL 133 Cb 0.48 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 1ek4 h VAL 133 CO 0.00 0.45 0.02 0.58 0.02 0.00 0.00 177.57 178.65 1ek4 h VAL 134 N 0.64 0.86 0.00 2.57 2.07 -1.93 0.71 116.25 121.17 1ek4 h VAL 134 Ca 0.08 -0.04 -0.03 0.00 0.82 0.00 0.00 66.70 67.53 1ek4 h VAL 134 Cb 0.76 0.74 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1ek4 h VAL 134 CO 0.06 0.02 -0.17 0.71 0.02 0.00 0.00 177.57 178.21 1ek4 h THR 135 N 0.11 0.46 0.25 2.57 1.35 -1.82 0.94 112.91 116.76 1ek4 h THR 135 Ca 0.11 -0.90 -0.33 0.00 -0.55 0.00 0.00 66.41 64.74 1ek4 h THR 135 Cb 0.13 1.64 0.04 0.00 -1.73 0.00 0.00 68.15 68.23 1ek4 h THR 135 CO -0.17 0.16 -1.46 0.11 -0.25 0.00 0.00 175.52 173.91 1ek4 h LYS 136 N 0.00 0.53 0.00 4.72 1.57 -1.32 -3.39 116.57 118.68 1ek4 h LYS 136 Ca -0.00 -0.90 -0.09 0.00 -1.87 0.00 0.00 60.65 57.79 1ek4 h LYS 136 Cb 0.62 0.34 -0.02 0.00 0.08 0.00 0.00 32.23 33.25 1ek4 h LYS 136 CO 0.02 1.43 -1.56 0.00 -0.57 0.00 0.00 179.45 178.77 1ek4 n ALA 137 N -2.71 2.34 -1.75 3.86 0.00 0.18 -4.27 120.51 118.17 1ek4 n ALA 137 Ca -0.16 -0.52 -0.38 0.00 0.00 0.00 0.00 53.44 52.37 1ek4 n ALA 137 Cb 1.10 -0.86 0.05 0.00 0.00 0.00 0.00 19.45 19.74 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 -3.20 3.00 0.46 0.00 0.23 0.31 -3.85 119.30 116.27 1ek4 s MET 138 Ca -0.04 2.22 0.17 0.00 -1.03 0.00 0.00 55.69 57.01 1ek4 s MET 138 Cb 0.10 -2.17 1.15 0.00 -1.53 0.00 0.00 34.83 32.38 1ek4 s MET 138 CO 0.84 -1.29 1.99 0.00 -2.03 0.00 0.00 175.02 174.52 1ek4 h ALA 139 N 1.26 2.16 -0.34 3.16 0.00 -1.93 -1.27 119.26 122.30 1ek4 h ALA 139 Ca -0.51 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1ek4 h ALA 139 Cb 1.31 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1ek4 h ALA 139 CO 0.56 -0.30 0.00 -1.13 0.00 0.00 0.00 179.25 178.38 1ek4 n SER 140 N -4.45 2.82 -0.18 0.00 3.41 -1.26 -4.54 113.62 109.43 1ek4 n SER 140 Ca 0.10 -2.26 -0.02 0.00 -0.26 0.00 0.00 58.87 56.42 1ek4 n SER 140 Cb 0.44 -0.44 0.05 0.00 -0.26 0.00 0.00 64.21 64.00 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 4.80 0.42 0.57 5.00 0.00 -1.46 -1.01 103.07 111.41 1ek4 h GLY 141 Ca 0.00 0.17 0.09 0.00 0.00 0.00 0.00 47.33 47.59 1ek4 h GLY 141 CO 0.14 -0.21 0.54 -2.08 0.00 0.00 0.00 176.54 174.94 1ek4 h VAL 142 N 0.01 0.96 0.11 4.60 2.07 -1.85 0.22 116.25 122.37 1ek4 h VAL 142 Ca 0.27 -0.32 -0.17 0.00 0.82 0.00 0.00 66.70 67.30 1ek4 h VAL 142 Cb 0.41 -0.05 0.02 0.00 -1.52 0.00 0.00 31.29 30.16 1ek4 h VAL 142 CO -0.56 0.17 -0.75 0.77 0.02 0.00 0.00 177.57 177.22 1ek4 h SER 143 N 0.92 0.47 -0.42 0.57 4.64 -1.47 -3.26 113.55 115.01 1ek4 h SER 143 Ca 0.42 -0.91 0.02 0.00 -0.47 0.00 0.00 61.79 60.85 1ek4 h SER 143 Cb 0.33 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.25 1ek4 h SER 143 CO -0.23 1.34 0.25 0.00 -0.87 0.00 0.00 176.83 177.32 1ek4 h ALA 144 N 0.13 0.52 0.00 5.18 0.00 -1.02 -0.18 119.26 123.90 1ek4 h ALA 144 Ca -0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1ek4 h ALA 144 Cb 1.55 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1ek4 h ALA 144 CO 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.31 1ek4 n LEU 146 N -1.38 2.16 -0.25 0.00 4.32 -0.96 -4.44 117.00 116.46 1ek4 n LEU 146 Ca 0.07 0.05 0.04 0.00 -0.02 0.00 0.00 56.01 56.15 1ek4 n LEU 146 Cb 0.18 -0.52 0.27 0.00 -1.62 0.00 0.00 43.42 41.73 1ek4 n LEU 146 CO 0.16 0.57 1.24 0.00 -1.22 0.00 0.00 177.39 178.14 1ek4 h ALA 147 N -0.27 1.55 0.65 -1.18 0.00 -1.11 -2.23 119.26 116.67 1ek4 h ALA 147 Ca -0.38 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.46 1ek4 h ALA 147 Cb 1.46 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 19.00 1ek4 h ALA 147 CO -0.15 0.35 -0.31 1.15 0.00 0.00 0.00 179.25 180.29 1ek4 h THR 148 N 0.96 0.00 0.00 0.00 2.02 -1.77 -0.63 112.91 113.48 1ek4 h THR 148 Ca 0.34 -0.34 -0.05 0.00 0.77 0.00 0.00 66.41 67.12 1ek4 h THR 148 Cb 0.12 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.53 1ek4 h THR 148 CO -0.11 0.00 -0.23 1.55 0.37 0.00 0.00 175.52 177.11 1ek4 h PRO 149 N -1.22 0.00 -0.14 6.66 0.13 -1.77 -2.30 132.00 133.36 1ek4 h PRO 149 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 1ek4 h PRO 149 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 1ek4 h PRO 149 CO 0.15 0.23 0.00 1.19 -0.23 0.00 0.00 178.00 179.33 1ek4 n PHE 150 N -4.04 0.18 -3.68 1.56 3.01 -0.84 -4.93 117.46 108.72 1ek4 n PHE 150 Ca -0.02 -0.09 -0.23 0.00 1.01 0.00 0.00 57.45 58.12 1ek4 n PHE 150 Cb 0.30 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.82 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 -0.05 -5.85 -2.76 -1.08 4.76 -0.87 -4.59 118.16 107.72 1ek4 n LYS 151 Ca 0.12 0.69 -0.41 0.00 -2.87 0.00 0.00 58.31 55.84 1ek4 n LYS 151 Cb 0.20 -5.49 -0.04 0.00 -1.84 0.00 0.00 35.03 27.86 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 -3.47 4.67 -0.42 -0.18 -1.09 -0.27 -0.43 121.20 120.01 1ek4 s ILE 152 Ca 0.25 1.99 0.09 0.00 -2.23 0.00 0.00 60.65 60.75 1ek4 s ILE 152 Cb -0.12 -4.29 -0.10 0.00 -1.58 0.00 0.00 42.46 36.37 1ek4 s ILE 152 CO 0.79 0.27 0.38 1.41 -1.23 0.00 0.00 174.94 176.56 1ek4 n HIS 153 N 3.20 0.00 -0.13 3.97 8.25 -1.25 -4.87 115.22 124.39 1ek4 n HIS 153 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 1ek4 n HIS 153 Cb 0.50 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.60 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 1.23 1.27 3.74 -1.41 0.00 0.08 -4.66 105.19 105.45 1ek4 n GLY 154 Ca 0.02 -1.55 -0.37 0.00 0.00 0.00 0.00 46.02 44.12 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 1.61 2.20 -0.29 1.61 -7.23 -1.26 -4.84 120.40 112.20 1ek4 s VAL 155 Ca 0.00 0.14 0.04 0.00 -1.81 0.00 0.00 61.98 60.35 1ek4 s VAL 155 Cb 0.00 -3.06 0.18 0.00 0.56 0.00 0.00 36.38 34.06 1ek4 s VAL 155 CO 0.00 -0.02 0.49 0.21 -0.31 0.00 0.00 175.10 175.48 1ek4 s ASN 156 N -1.24 -0.55 0.15 4.85 2.47 -1.25 -0.83 114.94 118.54 1ek4 s ASN 156 Ca 0.76 -0.15 -0.25 0.00 0.42 0.00 0.00 52.86 53.65 1ek4 s ASN 156 Cb -0.37 1.53 0.07 0.00 -1.45 0.00 0.00 41.25 41.04 1ek4 s ASN 156 CO 0.42 -0.33 1.03 -0.72 -3.72 0.00 0.00 177.10 173.78 1ek4 s TYR 157 N 2.65 -0.05 0.04 0.43 1.13 -1.15 -5.00 117.35 115.39 1ek4 s TYR 157 Ca 0.10 -0.27 0.07 0.00 -1.41 0.00 0.00 57.07 55.57 1ek4 s TYR 157 Cb -0.11 0.65 -0.03 0.00 -1.10 0.00 0.00 41.96 41.37 1ek4 s TYR 157 CO -0.28 -0.80 -0.20 -1.12 -2.51 0.00 0.00 175.55 170.65 1ek4 s SER 158 N -3.11 3.65 -0.10 -0.18 0.01 -1.26 -3.06 113.70 109.65 1ek4 s SER 158 Ca 0.16 -0.45 0.01 0.00 1.31 0.00 0.00 55.95 56.98 1ek4 s SER 158 Cb -0.01 -0.55 -0.02 0.00 0.21 0.00 0.00 66.02 65.65 1ek4 s SER 158 CO 0.03 0.26 -0.12 -0.63 0.41 0.00 0.00 173.24 173.19 1ek4 s ILE 159 N -0.88 3.17 -0.02 1.44 1.01 -1.26 -4.96 121.20 119.69 1ek4 s ILE 159 Ca 0.14 -0.64 0.04 0.00 0.00 0.00 0.00 60.65 60.18 1ek4 s ILE 159 Cb -0.10 -2.31 -0.01 0.00 0.01 0.00 0.00 42.46 40.06 1ek4 s ILE 159 CO 0.04 0.55 -0.14 -0.55 0.00 0.00 0.00 174.94 174.84 1ek4 s SER 160 N -0.09 1.70 -0.39 3.58 0.15 -1.26 -4.26 113.70 113.13 1ek4 s SER 160 Ca -0.01 -0.27 0.08 0.00 0.70 0.00 0.00 55.95 56.45 1ek4 s SER 160 Cb -0.14 -0.33 0.34 0.00 -1.71 0.00 0.00 66.02 64.18 1ek4 s SER 160 CO 0.03 0.14 1.31 -1.54 1.20 0.00 0.00 173.24 174.39 1ek4 n SER 161 N 2.98 -1.80 0.00 5.45 3.41 -1.26 -4.92 113.62 117.48 1ek4 n SER 161 Ca -0.16 -2.36 0.00 0.00 -0.26 0.00 0.00 58.87 56.09 1ek4 n SER 161 Cb 0.54 1.03 0.00 0.00 -0.26 0.00 0.00 64.21 65.52 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 -0.57 0.00 1.46 7.33 0.00 -1.26 -1.60 120.51 125.87 1ek4 n ALA 162 Ca -0.06 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.48 1ek4 n ALA 162 Cb 0.82 0.00 0.64 0.00 0.00 0.00 0.00 19.45 20.91 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 5.63 0.00 -0.37 0.00 7.64 -1.26 -2.34 113.62 122.93 1ek4 n SER 163 Ca 0.00 -0.78 0.06 0.00 1.01 0.00 0.00 58.87 59.16 1ek4 n SER 163 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 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 -0.96 2.81 -0.05 -0.43 0.00 -0.62 -4.42 120.51 116.82 1ek4 n ALA 164 Ca 0.16 -0.52 -0.01 0.00 0.00 0.00 0.00 53.44 53.07 1ek4 n ALA 164 Cb 0.07 -0.44 -0.01 0.00 0.00 0.00 0.00 19.45 19.07 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 0.12 -0.09 0.37 0.00 -1.04 -0.99 -1.57 114.28 111.09 1ek4 n THR 165 Ca 0.06 1.38 0.12 0.00 -2.04 0.00 0.00 64.05 63.57 1ek4 n THR 165 Cb 0.29 -1.81 0.51 0.00 -1.82 0.00 0.00 70.33 67.49 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 -3.18 0.70 0.01 8.00 3.41 -0.98 -1.97 113.62 119.60 1ek4 n SER 166 Ca 0.00 0.68 -0.18 0.00 -0.26 0.00 0.00 58.87 59.12 1ek4 n SER 166 Cb 0.03 -0.83 -0.12 0.00 -0.26 0.00 0.00 64.21 63.04 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 2.23 0.05 -0.13 7.33 0.00 -1.56 -2.80 119.26 124.37 1ek4 h ALA 167 Ca 0.00 -0.59 -0.06 0.00 0.00 0.00 0.00 54.91 54.26 1ek4 h ALA 167 Cb 0.34 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1ek4 h ALA 167 CO 0.00 0.36 -0.19 0.45 0.00 0.00 0.00 179.25 179.87 1ek4 h HIS 168 N -0.14 0.23 -0.51 0.00 -0.00 -0.87 -1.08 115.15 112.79 1ek4 h HIS 168 Ca -0.09 -0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.23 1ek4 h HIS 168 Cb 1.37 -0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 28.69 1ek4 h HIS 168 CO 0.15 0.40 0.22 0.00 -0.00 0.00 0.00 177.93 178.70 1ek4 h ILE 170 N 0.67 1.26 -0.71 0.00 2.04 -1.16 -1.77 117.51 117.85 1ek4 h ILE 170 Ca 0.17 -1.08 -0.05 0.00 1.00 0.00 0.00 64.86 64.89 1ek4 h ILE 170 Cb 0.17 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 1ek4 h ILE 170 CO -0.02 0.38 0.23 1.23 0.00 0.00 0.00 178.15 179.98 1ek4 h GLY 171 N 0.76 1.17 1.46 5.37 0.00 -0.90 -1.40 103.07 109.52 1ek4 h GLY 171 Ca 0.14 -0.68 -0.10 0.00 0.00 0.00 0.00 47.33 46.69 1ek4 h GLY 171 CO 0.03 0.64 -0.22 -0.57 0.00 0.00 0.00 176.54 176.42 1ek4 h ASN 172 N 1.04 0.64 -0.55 0.19 -0.73 -0.75 -2.02 115.58 113.39 1ek4 h ASN 172 Ca 0.23 -0.21 -0.01 0.00 1.87 0.00 0.00 56.30 58.18 1ek4 h ASN 172 Cb 0.28 -0.17 -0.03 0.00 0.27 0.00 0.00 38.32 38.67 1ek4 h ASN 172 CO -0.01 0.85 0.32 0.00 -0.37 0.00 0.00 177.43 178.22 1ek4 h ALA 173 N 1.20 0.70 -0.37 1.57 0.00 -0.90 -1.10 119.26 120.37 1ek4 h ALA 173 Ca 0.08 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1ek4 h ALA 173 Cb 0.68 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.20 1ek4 h ALA 173 CO 0.05 0.20 0.11 0.28 0.00 0.00 0.00 179.25 179.88 1ek4 h VAL 174 N 0.74 0.86 -0.87 0.00 2.07 -0.85 -2.08 116.25 116.12 1ek4 h VAL 174 Ca 0.20 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.67 1ek4 h VAL 174 Cb 0.01 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.32 1ek4 h VAL 174 CO -0.03 0.05 0.57 -0.33 0.02 0.00 0.00 177.57 177.84 1ek4 h GLU 175 N 0.25 1.03 -0.53 1.57 5.08 -0.74 -0.36 114.58 120.88 1ek4 h GLU 175 Ca 0.17 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.44 1ek4 h GLU 175 Cb 0.17 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 1ek4 h GLU 175 CO -0.19 0.68 0.21 1.96 -1.00 0.00 0.00 179.01 180.67 1ek4 h GLN 176 N 1.06 0.76 0.00 2.33 1.08 -0.53 0.38 115.11 120.18 1ek4 h GLN 176 Ca 0.35 -0.11 -0.21 0.00 -1.45 0.00 0.00 58.65 57.24 1ek4 h GLN 176 Cb 0.07 -0.14 0.02 0.00 -0.05 0.00 0.00 27.48 27.38 1ek4 h GLN 176 CO -0.11 0.62 -0.80 0.82 -0.95 0.00 0.00 178.83 178.41 1ek4 h ILE 177 N 0.75 1.36 -0.09 2.54 2.04 -0.98 -1.73 117.51 121.40 1ek4 h ILE 177 Ca 0.18 -2.16 -0.03 0.00 1.00 0.00 0.00 64.86 63.85 1ek4 h ILE 177 Cb 0.14 2.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.72 1ek4 h ILE 177 CO -0.02 0.65 -0.09 1.56 0.00 0.00 0.00 178.15 180.25 1ek4 h GLN 178 N 0.12 0.14 0.00 2.37 4.20 -0.79 0.54 115.11 121.69 1ek4 h GLN 178 Ca -0.10 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.59 1ek4 h GLN 178 Cb 1.49 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 29.25 1ek4 h GLN 178 CO 0.16 0.24 0.00 1.28 -0.67 0.00 0.00 178.83 179.83 1ek4 n LEU 179 N -4.36 0.00 -0.12 1.46 4.77 0.10 -3.25 117.00 115.59 1ek4 n LEU 179 Ca -0.01 0.40 -0.02 0.00 -0.03 0.00 0.00 56.01 56.35 1ek4 n LEU 179 Cb 0.21 -0.40 -0.01 0.00 -2.33 0.00 0.00 43.42 40.89 1ek4 n LEU 179 CO 0.36 -0.05 -0.01 0.61 -1.33 0.00 0.00 177.39 176.97 1ek4 n GLY 180 N 1.05 0.52 0.10 -0.72 0.00 0.18 -4.93 105.19 101.39 1ek4 n GLY 180 Ca 0.09 -0.40 -0.00 0.00 0.00 0.00 0.00 46.02 45.70 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 0.47 0.00 -4.37 1.61 1.57 -1.52 -3.48 116.57 110.84 1ek4 h LYS 181 Ca -0.03 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.54 1ek4 h LYS 181 Cb 0.19 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 32.32 1ek4 h LYS 181 CO 0.05 0.43 -0.71 -0.65 -0.57 0.00 0.00 179.45 178.00 1ek4 s GLN 182 N -2.90 0.56 -0.18 3.15 -1.52 -1.16 -4.77 119.66 112.84 1ek4 s GLN 182 Ca -0.00 -0.94 0.17 0.00 -1.95 0.00 0.00 55.36 52.63 1ek4 s GLN 182 Cb 0.08 -0.07 -0.23 0.00 -0.22 0.00 0.00 33.01 32.57 1ek4 s GLN 182 CO 0.79 -0.02 0.07 -0.25 -0.25 0.00 0.00 175.29 175.63 1ek4 n ASP 183 N 0.89 0.35 -3.83 5.90 8.00 0.47 -4.35 116.55 123.99 1ek4 n ASP 183 Ca -0.19 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.18 1ek4 n ASP 183 Cb 0.57 0.98 -0.14 0.00 -0.02 0.00 0.00 41.12 42.52 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 -2.47 -0.01 -0.04 0.53 1.01 -1.11 -1.26 121.20 117.85 1ek4 s ILE 184 Ca -0.09 0.04 -0.01 0.00 0.00 0.00 0.00 60.65 60.58 1ek4 s ILE 184 Cb 0.06 -0.13 0.03 0.00 0.01 0.00 0.00 42.46 42.43 1ek4 s ILE 184 CO 0.77 0.02 0.05 -0.69 0.00 0.00 0.00 174.94 175.09 1ek4 s VAL 185 N 0.25 -0.09 -0.20 2.92 1.01 -0.12 -1.04 120.40 123.13 1ek4 s VAL 185 Ca -0.02 0.37 -0.27 0.00 0.00 0.00 0.00 61.98 62.06 1ek4 s VAL 185 Cb -0.03 -0.14 -0.00 0.00 0.00 0.00 0.00 36.38 36.21 1ek4 s VAL 185 CO -0.01 0.16 0.94 -0.36 0.00 0.00 0.00 175.10 175.83 1ek4 s PHE 186 N 1.89 3.38 -0.01 5.22 0.40 -0.09 -1.71 117.98 127.06 1ek4 s PHE 186 Ca 0.01 1.36 0.05 0.00 -0.60 0.00 0.00 56.93 57.76 1ek4 s PHE 186 Cb -0.12 -3.14 -0.01 0.00 0.51 0.00 0.00 43.02 40.25 1ek4 s PHE 186 CO -0.03 -0.36 -0.17 0.00 0.70 0.00 0.00 175.22 175.36 1ek4 s ALA 187 N 2.64 1.45 0.00 5.36 0.00 -0.62 -1.14 121.76 129.45 1ek4 s ALA 187 Ca 0.41 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.63 1ek4 s ALA 187 Cb -0.16 -0.37 0.00 0.00 0.00 0.00 0.00 23.12 22.59 1ek4 s ALA 187 CO 0.10 0.35 0.00 0.41 0.00 0.00 0.00 175.76 176.62 1ek4 n GLY 188 N 2.68 -0.73 0.00 0.00 0.00 -1.09 -0.66 105.19 105.39 1ek4 n GLY 188 Ca -0.15 -0.30 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 -1.40 3.71 -0.02 0.00 -0.79 -2.63 105.19 104.06 1ek4 n GLY 189 Ca 0.00 -0.99 -0.08 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.27 -0.20 -0.02 0.00 -0.97 -2.09 107.32 103.77 1ek4 s GLY 190 Ca 0.00 0.04 -0.14 0.00 0.00 0.00 0.00 44.72 44.62 1ek4 s GLY 190 CO 0.00 0.01 0.51 1.85 0.00 0.00 0.00 173.10 175.47 1ek4 s GLU 191 N -3.73 0.54 0.69 2.90 2.56 -0.42 -4.19 118.70 117.05 1ek4 s GLU 191 Ca 0.08 0.84 -0.10 0.00 0.00 0.00 0.00 54.97 55.79 1ek4 s GLU 191 Cb -0.04 0.14 0.02 0.00 2.00 0.00 0.00 34.13 36.26 1ek4 s GLU 191 CO 0.00 -0.12 1.06 -1.83 -0.56 0.00 0.00 175.26 173.82 1ek4 s GLU 192 N 0.96 2.77 -0.15 4.30 -1.05 -1.26 -1.75 118.70 122.52 1ek4 s GLU 192 Ca -0.06 0.32 0.00 0.00 -0.15 0.00 0.00 54.97 55.08 1ek4 s GLU 192 Cb -0.06 -2.07 0.03 0.00 -0.44 0.00 0.00 34.13 31.59 1ek4 s GLU 192 CO -0.08 -1.02 -0.13 -1.17 0.95 0.00 0.00 175.26 173.81 1ek4 s LEU 193 N -5.30 1.68 -0.03 1.83 2.96 -1.26 -4.70 118.68 113.86 1ek4 s LEU 193 Ca 0.58 -0.51 -0.29 0.00 -0.22 0.00 0.00 54.13 53.69 1ek4 s LEU 193 Cb -0.11 -1.13 0.10 0.00 0.50 0.00 0.00 46.19 45.55 1ek4 s LEU 193 CO 0.50 -0.08 0.83 0.00 -1.32 0.00 0.00 176.35 176.28 1ek4 h TRP 195 N 2.33 0.20 -0.97 0.00 5.08 -1.97 -1.27 115.95 119.35 1ek4 h TRP 195 Ca -0.24 -0.03 0.20 0.00 1.08 0.00 0.00 58.89 59.91 1ek4 h TRP 195 Cb 1.21 -0.05 -0.09 0.00 -3.00 0.00 0.00 29.16 27.23 1ek4 h TRP 195 CO 0.28 0.38 0.61 0.93 -1.28 0.00 0.00 178.44 179.37 1ek4 h GLU 196 N 0.18 0.56 0.05 0.12 3.07 -1.96 -0.38 114.58 116.22 1ek4 h GLU 196 Ca 0.03 -0.03 -0.34 0.00 -0.50 0.00 0.00 59.36 58.52 1ek4 h GLU 196 Cb 0.45 -0.13 -0.04 0.00 -0.84 0.00 0.00 28.75 28.20 1ek4 h GLU 196 CO 0.03 0.37 -1.90 -0.12 -1.40 0.00 0.00 179.01 175.99 1ek4 n MET 197 N -4.63 0.66 -0.19 2.33 1.56 -1.01 -4.44 117.12 111.40 1ek4 n MET 197 Ca 0.22 0.35 0.04 0.00 -0.27 0.00 0.00 57.70 58.04 1ek4 n MET 197 Cb 0.65 -1.67 0.32 0.00 2.15 0.00 0.00 33.22 34.67 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 -0.26 1.61 0.00 -5.12 0.00 -0.91 -2.72 119.26 111.86 1ek4 h ALA 198 Ca -0.46 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1ek4 h ALA 198 Cb 1.73 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 1ek4 h ALA 198 CO -0.10 0.30 -0.04 0.00 0.00 0.00 0.00 179.25 179.41 1ek4 h GLU 200 N 0.00 0.89 -0.33 0.00 3.07 -1.72 0.79 114.58 117.29 1ek4 h GLU 200 Ca -0.00 -0.29 -0.11 0.00 -0.50 0.00 0.00 59.36 58.46 1ek4 h GLU 200 Cb 0.08 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 1ek4 h GLU 200 CO 0.01 0.92 -0.23 0.74 -1.40 0.00 0.00 179.01 179.05 1ek4 h PHE 201 N 0.81 0.86 -0.58 4.33 0.04 -1.42 -2.80 116.94 118.19 1ek4 h PHE 201 Ca 0.14 -0.23 -0.06 0.00 2.80 0.00 0.00 57.97 60.62 1ek4 h PHE 201 Cb 0.56 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.50 1ek4 h PHE 201 CO 0.03 0.97 0.14 0.22 -0.60 0.00 0.00 178.31 179.07 1ek4 h ASP 202 N 0.50 0.84 0.35 2.17 1.82 -1.15 -1.65 116.42 119.31 1ek4 h ASP 202 Ca 0.06 -0.16 -0.02 0.00 -0.39 0.00 0.00 57.03 56.53 1ek4 h ASP 202 Cb 0.78 -0.22 -0.00 0.00 0.68 0.00 0.00 39.33 40.57 1ek4 h ASP 202 CO 0.06 0.82 -0.08 0.00 -1.61 0.00 0.00 179.24 178.43 1ek4 h ALA 203 N 1.29 1.24 -0.47 -0.78 0.00 -0.69 -1.01 119.26 118.83 1ek4 h ALA 203 Ca 0.19 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1ek4 h ALA 203 Cb 0.32 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1ek4 h ALA 203 CO -0.00 0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.35 1ek4 n MET 204 N -3.54 2.56 -1.45 0.00 0.00 -0.82 -4.96 117.12 108.91 1ek4 n MET 204 Ca -0.02 -2.37 -0.08 0.00 0.00 0.00 0.00 57.70 55.24 1ek4 n MET 204 Cb 0.21 -1.53 -0.03 0.00 0.00 0.00 0.00 33.22 31.87 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 1.55 0.75 0.07 3.17 0.00 -0.38 -4.95 105.19 105.40 1ek4 n GLY 205 Ca 0.21 -0.66 0.13 0.00 0.00 0.00 0.00 46.02 45.69 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 0.53 2.72 -2.92 4.61 0.00 -0.68 -4.91 120.51 119.85 1ek4 n ALA 206 Ca -0.08 -0.17 -0.31 0.00 0.00 0.00 0.00 53.44 52.88 1ek4 n ALA 206 Cb 0.33 -1.30 -0.04 0.00 0.00 0.00 0.00 19.45 18.45 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 -4.08 4.36 0.30 0.00 1.43 -1.26 -1.68 118.68 117.74 1ek4 s LEU 207 Ca 0.09 0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 53.16 1ek4 s LEU 207 Cb 0.14 -2.95 -0.10 0.00 0.03 0.00 0.00 46.19 43.31 1ek4 s LEU 207 CO 0.66 0.16 1.34 -0.55 0.23 0.00 0.00 176.35 178.19 1ek4 s SER 208 N -2.56 6.76 0.00 2.29 0.15 -0.63 -4.66 113.70 115.05 1ek4 s SER 208 Ca 0.35 2.65 0.00 0.00 0.70 0.00 0.00 55.95 59.65 1ek4 s SER 208 Cb -0.13 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.54 1ek4 s SER 208 CO 0.28 -0.58 0.00 0.35 1.20 0.00 0.00 173.24 174.49 1ek4 n THR 209 N 1.39 0.00 1.32 6.45 -2.24 -1.26 -4.38 114.28 115.55 1ek4 n THR 209 Ca 0.02 -0.12 0.14 0.00 -2.27 0.00 0.00 64.05 61.82 1ek4 n THR 209 Cb 0.41 0.88 0.49 0.00 -2.10 0.00 0.00 70.33 70.02 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 -0.30 0.74 -0.50 -0.78 5.02 -1.26 -4.17 118.16 116.91 1ek4 n LYS 210 Ca 0.00 -0.35 0.07 0.00 -2.02 0.00 0.00 58.31 56.01 1ek4 n LYS 210 Cb 0.00 -1.49 0.18 0.00 -0.02 0.00 0.00 35.03 33.70 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 -0.83 0.00 0.18 2.13 4.02 -1.26 -4.78 117.16 116.62 1ek4 n TYR 211 Ca 0.13 -1.30 0.12 0.00 -0.01 0.00 0.00 57.90 56.85 1ek4 n TYR 211 Cb 0.31 -0.22 0.67 0.00 -0.02 0.00 0.00 39.34 40.09 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 0.72 0.00 1.15 7.72 2.35 -1.93 -0.93 115.58 124.66 1ek4 h ASN 212 Ca -0.01 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.71 1ek4 h ASN 212 Cb 1.05 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.41 1ek4 h ASN 212 CO 0.00 0.00 -0.14 0.44 -1.65 0.00 0.00 177.43 176.08 1ek4 h ASP 213 N 0.00 0.00 -2.14 5.81 3.32 -1.93 -3.34 116.42 118.14 1ek4 h ASP 213 Ca 0.08 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.55 1ek4 h ASP 213 Cb 0.33 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.48 1ek4 h ASP 213 CO -0.00 0.14 -0.90 0.35 -1.72 0.00 0.00 179.24 177.11 1ek4 n THR 214 N -3.24 0.39 -0.36 0.35 -2.24 -0.36 -5.01 114.28 103.80 1ek4 n THR 214 Ca 0.01 -4.41 0.05 0.00 -2.27 0.00 0.00 64.05 57.43 1ek4 n THR 214 Cb 0.43 -1.99 0.12 0.00 -2.10 0.00 0.00 70.33 66.79 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 1.36 -0.11 0.06 -0.78 -0.02 -1.16 -0.74 135.00 133.61 1ek4 n PRO 215 Ca 0.25 1.55 0.06 0.00 -2.02 0.00 0.00 63.50 63.34 1ek4 n PRO 215 Cb 0.48 -2.32 0.29 0.00 -0.02 0.00 0.00 33.50 31.93 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 -5.60 0.06 -0.01 -0.52 1.02 -1.26 -2.15 120.64 112.18 1ek4 n GLU 216 Ca 0.15 0.47 0.08 0.00 -0.02 0.00 0.00 57.16 57.84 1ek4 n GLU 216 Cb 0.48 -1.67 0.07 0.00 -0.02 0.00 0.00 31.44 30.30 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 -1.81 1.20 0.00 3.49 5.02 0.09 -4.64 118.16 121.51 1ek4 n LYS 217 Ca 0.01 -1.45 -0.12 0.00 -2.02 0.00 0.00 58.31 54.73 1ek4 n LYS 217 Cb 0.08 -1.30 -0.07 0.00 -0.02 0.00 0.00 35.03 33.71 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 3.04 0.06 -1.88 7.82 0.00 -1.43 -3.40 119.26 123.48 1ek4 h ALA 218 Ca 0.00 -0.11 -0.57 0.00 0.00 0.00 0.00 54.91 54.23 1ek4 h ALA 218 Cb 0.65 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 1ek4 h ALA 218 CO 0.00 -0.34 0.82 0.45 0.00 0.00 0.00 179.25 180.18 1ek4 s SER 219 N -5.46 6.75 -0.39 0.00 0.15 -1.26 -4.76 113.70 108.73 1ek4 s SER 219 Ca -0.14 0.69 0.10 0.00 0.70 0.00 0.00 55.95 57.30 1ek4 s SER 219 Cb 0.05 -2.53 0.31 0.00 -1.71 0.00 0.00 66.02 62.15 1ek4 s SER 219 CO 0.68 -1.03 0.72 -2.11 1.20 0.00 0.00 173.24 172.69 1ek4 n ARG 220 N 7.24 0.89 -1.61 5.44 1.85 -1.26 -4.65 116.66 124.57 1ek4 n ARG 220 Ca 0.11 -3.13 -0.51 0.00 -1.00 0.00 0.00 57.85 53.32 1ek4 n ARG 220 Cb 0.48 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.34 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 0.66 0.01 -0.47 8.89 -1.04 -1.26 -1.27 114.28 119.80 1ek4 n THR 221 Ca 0.21 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.22 1ek4 n THR 221 Cb 0.63 -0.96 0.00 0.00 -1.82 0.00 0.00 70.33 68.18 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 2.77 0.00 -2.70 -1.42 4.01 -1.26 -4.79 117.16 113.77 1ek4 n TYR 222 Ca 0.18 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.52 1ek4 n TYR 222 Cb 0.21 -0.02 -0.05 0.00 -0.31 0.00 0.00 39.34 39.17 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 -3.50 7.54 0.62 7.72 2.15 -0.39 -1.22 116.67 129.58 1ek4 s ASP 223 Ca 0.00 1.93 0.31 0.00 0.43 0.00 0.00 52.55 55.22 1ek4 s ASP 223 Cb 0.00 -2.60 1.72 0.00 -0.30 0.00 0.00 42.92 41.74 1ek4 s ASP 223 CO 0.00 0.03 2.06 0.00 -0.17 0.00 0.00 175.17 177.10 1ek4 h ALA 224 N 4.68 1.65 -0.48 3.66 0.00 -0.84 -2.19 119.26 125.74 1ek4 h ALA 224 Ca -0.44 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.26 1ek4 h ALA 224 Cb 1.21 0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.89 1ek4 h ALA 224 CO 0.70 -0.33 0.09 0.72 0.00 0.00 0.00 179.25 180.43 1ek4 n HIS 225 N -3.49 1.52 -1.94 0.00 8.25 -1.26 -5.00 115.22 113.29 1ek4 n HIS 225 Ca 0.01 -1.44 -0.35 0.00 -0.26 0.00 0.00 57.72 55.68 1ek4 n HIS 225 Cb 0.36 -0.55 0.04 0.00 1.12 0.00 0.00 29.99 30.95 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 -3.14 2.92 -0.08 -0.41 1.70 -0.82 -4.97 118.95 114.14 1ek4 s ARG 226 Ca 0.47 1.66 0.22 0.00 -0.47 0.00 0.00 55.73 57.62 1ek4 s ARG 226 Cb 0.41 -1.94 0.40 0.00 -0.57 0.00 0.00 34.95 33.25 1ek4 s ARG 226 CO 0.05 -1.21 1.15 -0.40 -1.08 0.00 0.00 175.30 173.82 1ek4 n ASP 227 N -1.85 0.82 0.00 -2.89 5.75 -1.25 -4.65 116.55 112.48 1ek4 n ASP 227 Ca 0.12 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.89 1ek4 n ASP 227 Cb 0.51 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 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 0.08 3.29 3.92 6.12 0.00 -0.83 -3.84 105.19 113.92 1ek4 n GLY 228 Ca 0.02 -1.92 -0.27 0.00 0.00 0.00 0.00 46.02 43.85 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 -2.56 3.13 -0.26 1.61 -0.12 -0.68 -3.74 117.98 115.36 1ek4 s PHE 229 Ca 0.00 0.61 -0.06 0.00 -0.05 0.00 0.00 56.93 57.43 1ek4 s PHE 229 Cb 0.00 -2.94 -0.00 0.00 -0.63 0.00 0.00 43.02 39.45 1ek4 s PHE 229 CO 0.00 -1.08 0.03 0.08 -0.05 0.00 0.00 175.22 174.20 1ek4 s VAL 230 N -3.12 3.76 0.50 -2.49 1.01 -1.26 -1.60 120.40 117.20 1ek4 s VAL 230 Ca 0.57 -0.58 -0.22 0.00 0.00 0.00 0.00 61.98 61.74 1ek4 s VAL 230 Cb -0.11 -2.84 -0.06 0.00 0.00 0.00 0.00 36.38 33.37 1ek4 s VAL 230 CO 0.46 0.23 1.25 -0.51 0.00 0.00 0.00 175.10 176.52 1ek4 s ILE 231 N 1.50 2.64 0.21 2.22 2.07 -1.26 0.07 121.20 128.65 1ek4 s ILE 231 Ca 0.04 0.48 -0.11 0.00 -1.41 0.00 0.00 60.65 59.65 1ek4 s ILE 231 Cb -0.16 -3.24 -0.01 0.00 0.13 0.00 0.00 42.46 39.19 1ek4 s ILE 231 CO 0.00 -0.01 0.38 0.00 -1.91 0.00 0.00 174.94 173.40 1ek4 s ALA 232 N -1.45 -0.08 0.34 1.50 0.00 -0.16 -1.10 121.76 120.81 1ek4 s ALA 232 Ca 0.68 -0.91 0.05 0.00 0.00 0.00 0.00 51.96 51.78 1ek4 s ALA 232 Cb -0.34 1.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.77 1ek4 s ALA 232 CO 0.40 -0.75 0.19 0.20 0.00 0.00 0.00 175.76 175.80 1ek4 s GLY 233 N -3.00 2.30 0.00 0.00 0.00 -0.95 -4.12 107.32 101.54 1ek4 s GLY 233 Ca 0.21 -1.71 0.00 0.00 0.00 0.00 0.00 44.72 43.23 1ek4 s GLY 233 CO 0.05 -1.61 0.00 0.61 0.00 0.00 0.00 173.10 172.15 1ek4 n GLY 234 N -0.68 0.77 3.64 0.20 0.00 -0.72 -4.35 105.19 104.05 1ek4 n GLY 234 Ca 0.01 -1.81 -0.09 0.00 0.00 0.00 0.00 46.02 44.14 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 0.36 -0.06 -0.02 0.00 0.51 -1.30 107.32 106.81 1ek4 s GLY 235 Ca 0.00 -0.72 -0.29 0.00 0.00 0.00 0.00 44.72 43.71 1ek4 s GLY 235 CO 0.00 -0.49 0.86 -0.32 0.00 0.00 0.00 173.10 173.15 1ek4 s GLY 236 N -2.99 -0.43 -0.17 0.20 0.00 -0.89 -1.59 107.32 101.46 1ek4 s GLY 236 Ca 0.19 1.44 -0.21 0.00 0.00 0.00 0.00 44.72 46.15 1ek4 s GLY 236 CO 0.08 0.74 0.56 -0.29 0.00 0.00 0.00 173.10 174.19 1ek4 s MET 237 N -1.94 0.72 0.07 2.90 1.75 -0.36 -1.88 119.30 120.57 1ek4 s MET 237 Ca -0.02 0.61 0.05 0.00 -1.25 0.00 0.00 55.69 55.08 1ek4 s MET 237 Cb -0.01 0.35 -0.03 0.00 2.84 0.00 0.00 34.83 37.98 1ek4 s MET 237 CO -0.01 -0.13 -0.13 0.14 -0.65 0.00 0.00 175.02 174.25 1ek4 s VAL 238 N -0.08 1.02 -0.44 10.11 -7.23 0.16 -0.99 120.40 122.96 1ek4 s VAL 238 Ca -0.03 -1.33 -0.18 0.00 -1.81 0.00 0.00 61.98 58.63 1ek4 s VAL 238 Cb -0.03 -1.06 0.03 0.00 0.56 0.00 0.00 36.38 35.88 1ek4 s VAL 238 CO 0.02 -0.29 0.49 -0.69 -0.31 0.00 0.00 175.10 174.32 1ek4 s VAL 239 N -1.46 5.03 -0.17 1.32 1.01 -0.09 -1.59 120.40 124.46 1ek4 s VAL 239 Ca -0.02 -0.33 -0.16 0.00 0.00 0.00 0.00 61.98 61.47 1ek4 s VAL 239 Cb -0.09 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.15 1ek4 s VAL 239 CO 0.02 -0.50 0.42 -0.69 0.00 0.00 0.00 175.10 174.34 1ek4 s VAL 240 N 2.27 5.21 -0.01 2.92 1.01 -0.69 -1.49 120.40 129.62 1ek4 s VAL 240 Ca 0.14 0.78 -0.03 0.00 0.00 0.00 0.00 61.98 62.87 1ek4 s VAL 240 Cb -0.17 -3.75 -0.00 0.00 0.00 0.00 0.00 36.38 32.46 1ek4 s VAL 240 CO 0.14 0.29 0.06 -0.70 0.00 0.00 0.00 175.10 174.90 1ek4 s GLU 241 N 0.96 0.25 0.31 2.72 2.12 0.55 -0.95 118.70 124.67 1ek4 s GLU 241 Ca 0.21 -0.23 -0.29 0.00 0.36 0.00 0.00 54.97 55.03 1ek4 s GLU 241 Cb -0.15 0.10 -0.10 0.00 0.26 0.00 0.00 34.13 34.25 1ek4 s GLU 241 CO 0.08 -0.05 1.33 -2.00 -0.54 0.00 0.00 175.26 174.08 1ek4 s GLU 242 N -0.75 4.34 0.14 4.30 -6.30 -0.39 -0.78 118.70 119.26 1ek4 s GLU 242 Ca -0.08 2.23 -0.22 0.00 -2.50 0.00 0.00 54.97 54.40 1ek4 s GLU 242 Cb -0.05 -3.08 0.01 0.00 0.00 0.00 0.00 34.13 31.01 1ek4 s GLU 242 CO 0.00 -0.24 1.64 1.25 0.02 0.00 0.00 175.26 177.93 1ek4 h LEU 243 N 3.72 -0.68 -0.85 2.70 5.85 -1.45 -1.96 115.31 122.63 1ek4 h LEU 243 Ca -0.48 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.34 1ek4 h LEU 243 Cb 1.22 0.32 -0.04 0.00 0.37 0.00 0.00 40.66 42.53 1ek4 h LEU 243 CO 0.68 -0.26 0.44 -0.33 -0.34 0.00 0.00 178.44 178.64 1ek4 h GLU 244 N -0.24 1.20 -0.87 1.25 4.39 -1.92 -1.08 114.58 117.31 1ek4 h GLU 244 Ca 0.12 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1ek4 h GLU 244 Cb 0.42 -0.23 -0.04 0.00 -0.10 0.00 0.00 28.75 28.80 1ek4 h GLU 244 CO -0.34 0.90 0.56 1.25 -1.16 0.00 0.00 179.01 180.22 1ek4 h HIS 245 N 1.19 1.12 -0.38 4.33 2.76 -1.89 0.08 115.15 122.36 1ek4 h HIS 245 Ca 0.30 0.02 -0.16 0.00 -2.20 0.00 0.00 60.37 58.32 1ek4 h HIS 245 Cb 0.06 -0.37 -0.01 0.00 1.55 0.00 0.00 27.41 28.64 1ek4 h HIS 245 CO 0.01 0.72 -0.39 0.00 -1.30 0.00 0.00 177.93 176.97 1ek4 h ALA 246 N 1.31 0.58 -0.35 5.26 0.00 -0.89 -2.98 119.26 122.19 1ek4 h ALA 246 Ca 0.32 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 1ek4 h ALA 246 Cb -0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1ek4 h ALA 246 CO -0.07 0.68 -0.29 -0.07 0.00 0.00 0.00 179.25 179.50 1ek4 h LEU 247 N 0.76 0.76 -1.33 0.00 3.38 -0.88 -0.88 115.31 117.12 1ek4 h LEU 247 Ca 0.06 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 1ek4 h LEU 247 Cb 0.99 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 1ek4 h LEU 247 CO 0.10 1.01 -0.12 0.00 0.09 0.00 0.00 178.44 179.51 1ek4 h ALA 248 N 1.04 1.45 -0.41 1.53 0.00 -0.94 -2.58 119.26 119.36 1ek4 h ALA 248 Ca 0.07 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1ek4 h ALA 248 Cb 0.81 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1ek4 h ALA 248 CO 0.07 0.38 0.00 2.89 0.00 0.00 0.00 179.25 182.59 1ek4 n ARG 249 N -4.26 2.37 -3.08 0.00 1.85 -1.13 -4.96 116.66 107.46 1ek4 n ARG 249 Ca -0.00 -2.09 -0.16 0.00 -1.00 0.00 0.00 57.85 54.60 1ek4 n ARG 249 Cb 0.28 -1.49 0.04 0.00 -1.05 0.00 0.00 32.46 30.24 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 1.45 -0.09 3.79 2.89 0.00 -0.97 -5.00 105.19 107.25 1ek4 n GLY 250 Ca 0.19 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.13 2.59 -0.16 4.61 0.00 -0.36 -5.01 121.76 120.30 1ek4 s ALA 251 Ca 0.33 0.42 -0.23 0.00 0.00 0.00 0.00 51.96 52.48 1ek4 s ALA 251 Cb -0.15 -3.26 -0.02 0.00 0.00 0.00 0.00 23.12 19.69 1ek4 s ALA 251 CO 0.41 -1.10 0.70 -1.58 0.00 0.00 0.00 175.76 174.19 1ek4 s HIS 252 N -2.49 3.43 -0.28 0.00 5.65 -1.26 -4.88 115.29 115.46 1ek4 s HIS 252 Ca 0.64 1.09 -0.08 0.00 0.25 0.00 0.00 55.06 56.97 1ek4 s HIS 252 Cb -0.18 -2.86 -0.01 0.00 -1.18 0.00 0.00 32.58 28.35 1ek4 s HIS 252 CO 0.42 -0.13 0.10 0.42 -0.65 0.00 0.00 174.74 174.89 1ek4 s ILE 253 N 1.73 4.29 -0.03 0.89 1.01 -1.26 -4.37 121.20 123.46 1ek4 s ILE 253 Ca 0.33 -0.41 -0.24 0.00 0.00 0.00 0.00 60.65 60.33 1ek4 s ILE 253 Cb -0.16 -3.12 -0.21 0.00 0.01 0.00 0.00 42.46 38.98 1ek4 s ILE 253 CO 0.12 0.18 1.16 1.88 0.00 0.00 0.00 174.94 178.28 1ek4 h TYR 254 N 8.27 0.18 -1.93 3.97 0.05 -1.60 -3.47 116.97 122.45 1ek4 h TYR 254 Ca -0.34 -0.08 0.24 0.00 0.05 0.00 0.00 58.73 58.60 1ek4 h TYR 254 Cb 1.15 -0.03 -0.11 0.00 1.01 0.00 0.00 36.73 38.75 1ek4 h TYR 254 CO 0.64 0.74 0.64 0.00 -1.05 0.00 0.00 178.16 179.14 1ek4 s ALA 255 N -3.71 -1.92 -0.11 3.88 0.00 -1.25 -4.68 121.76 113.96 1ek4 s ALA 255 Ca -0.16 0.48 -0.04 0.00 0.00 0.00 0.00 51.96 52.24 1ek4 s ALA 255 Cb 0.02 0.48 -0.04 0.00 0.00 0.00 0.00 23.12 23.58 1ek4 s ALA 255 CO 0.72 -1.01 0.04 -2.00 0.00 0.00 0.00 175.76 173.51 1ek4 s GLU 256 N -2.88 3.30 -0.57 0.00 2.12 0.36 -1.41 118.70 119.63 1ek4 s GLU 256 Ca 0.12 -0.34 -0.25 0.00 0.36 0.00 0.00 54.97 54.87 1ek4 s GLU 256 Cb 0.01 -2.96 0.04 0.00 0.26 0.00 0.00 34.13 31.48 1ek4 s GLU 256 CO -0.01 0.62 0.98 0.42 -0.54 0.00 0.00 175.26 176.73 1ek4 s ILE 257 N -0.63 4.32 -2.20 -3.70 1.01 -0.29 -1.10 121.20 118.62 1ek4 s ILE 257 Ca 0.11 0.31 0.23 0.00 0.00 0.00 0.00 60.65 61.30 1ek4 s ILE 257 Cb -0.12 -4.58 0.03 0.00 0.01 0.00 0.00 42.46 37.80 1ek4 s ILE 257 CO 0.02 -1.19 1.13 1.33 0.00 0.00 0.00 174.94 176.24 1ek4 n VAL 258 N 6.24 0.00 -3.66 2.92 0.24 -0.65 -4.58 118.33 118.85 1ek4 n VAL 258 Ca 0.02 -0.30 -0.14 0.00 -2.04 0.00 0.00 64.34 61.88 1ek4 n VAL 258 Cb 0.48 1.27 -0.08 0.00 -1.47 0.00 0.00 33.84 34.04 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 -2.40 -0.44 -0.17 7.63 0.00 -1.10 -4.79 107.32 106.04 1ek4 s GLY 259 Ca 0.20 1.52 -0.05 0.00 0.00 0.00 0.00 44.72 46.39 1ek4 s GLY 259 CO 0.53 1.27 0.33 -0.47 0.00 0.00 0.00 173.10 174.76 1ek4 s TYR 260 N -0.04 -0.60 -0.00 1.90 5.04 -1.26 -1.23 117.35 121.16 1ek4 s TYR 260 Ca -0.03 1.14 0.06 0.00 -2.44 0.00 0.00 57.07 55.80 1ek4 s TYR 260 Cb -0.04 0.09 -0.03 0.00 0.35 0.00 0.00 41.96 42.33 1ek4 s TYR 260 CO 0.02 -0.45 -0.18 0.20 -1.34 0.00 0.00 175.55 173.81 1ek4 s GLY 261 N 2.50 1.51 -0.17 8.97 0.00 0.28 -4.44 107.32 115.97 1ek4 s GLY 261 Ca 0.01 -1.10 -0.04 0.00 0.00 0.00 0.00 44.72 43.59 1ek4 s GLY 261 CO -0.11 -0.94 0.25 0.00 0.00 0.00 0.00 173.10 172.30 1ek4 s ALA 262 N -0.81 -0.44 0.28 3.20 0.00 -1.26 -1.17 121.76 121.56 1ek4 s ALA 262 Ca 0.13 0.58 0.05 0.00 0.00 0.00 0.00 51.96 52.72 1ek4 s ALA 262 Cb -0.10 -1.21 -0.02 0.00 0.00 0.00 0.00 23.12 21.79 1ek4 s ALA 262 CO 0.03 -0.96 0.19 0.25 0.00 0.00 0.00 175.76 175.26 1ek4 n THR 263 N 5.34 0.00 -3.89 0.00 -2.24 -0.87 -4.99 114.28 107.63 1ek4 n THR 263 Ca -0.05 -1.93 -0.13 0.00 -2.27 0.00 0.00 64.05 59.67 1ek4 n THR 263 Cb 0.50 0.87 -0.14 0.00 -2.10 0.00 0.00 70.33 69.46 1ek4 n THR 263 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1ek4 s SER 264 N -2.90 0.06 0.02 3.42 0.15 -1.26 -1.35 113.70 111.85 1ek4 s SER 264 Ca 0.27 -0.01 -0.19 0.00 0.70 0.00 0.00 55.95 56.73 1ek4 s SER 264 Cb 0.01 -0.01 -0.21 0.00 -1.71 0.00 0.00 66.02 64.10 1ek4 s SER 264 CO 0.19 -0.01 1.16 0.44 1.20 0.00 0.00 173.24 176.22 1ek4 h ASP 265 N 6.24 0.59 -5.84 5.45 3.32 -0.97 -3.44 116.42 121.77 1ek4 h ASP 265 Ca -0.26 -0.71 -0.39 0.00 0.02 0.00 0.00 57.03 55.68 1ek4 h ASP 265 Cb 1.20 -0.18 0.14 0.00 0.22 0.00 0.00 39.33 40.71 1ek4 h ASP 265 CO 0.51 1.22 -0.69 0.61 -1.72 0.00 0.00 179.24 179.16 1ek4 n GLY 266 N 0.92 -0.53 0.00 2.75 0.00 -1.26 -4.87 105.19 102.20 1ek4 n GLY 266 Ca -0.09 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -4.93 1.16 -2.83 4.61 0.00 -1.26 -5.13 120.51 112.12 1ek4 n ALA 267 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.11 1ek4 n ALA 267 Cb 0.57 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.96 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 5.89 0.25 0.00 2.15 -1.26 -5.03 116.67 119.67 1ek4 s ASP 268 Ca 0.00 0.15 0.07 0.00 0.43 0.00 0.00 52.55 53.20 1ek4 s ASP 268 Cb 0.00 -1.71 0.30 0.00 -0.30 0.00 0.00 42.92 41.21 1ek4 s ASP 268 CO 0.00 0.21 1.59 0.24 -0.17 0.00 0.00 175.17 177.04 1ek4 h MET 269 N 3.53 0.16 0.00 4.34 2.86 -1.99 -3.34 114.93 120.49 1ek4 h MET 269 Ca -0.47 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.05 1ek4 h MET 269 Cb 1.17 0.02 -0.00 0.00 0.06 0.00 0.00 31.60 32.85 1ek4 h MET 269 CO 0.68 0.71 -1.07 0.28 1.06 0.00 0.00 176.91 178.57 1ek4 n VAL 270 N -3.86 0.02 -4.24 -2.22 0.31 -1.26 0.16 118.33 107.24 1ek4 n VAL 270 Ca -0.02 -0.04 -0.31 0.00 -0.01 0.00 0.00 64.34 63.96 1ek4 n VAL 270 Cb 0.61 0.08 -0.09 0.00 -0.91 0.00 0.00 33.84 33.53 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 -2.08 3.24 0.38 3.52 0.00 -1.26 -4.81 121.76 120.75 1ek4 s ALA 271 Ca -0.01 -1.05 -0.24 0.00 0.00 0.00 0.00 51.96 50.67 1ek4 s ALA 271 Cb 0.01 -1.23 -0.10 0.00 0.00 0.00 0.00 23.12 21.80 1ek4 s ALA 271 CO 0.06 0.67 1.00 -1.25 0.00 0.00 0.00 175.76 176.23 1ek4 s PRO 272 N -1.90 4.30 0.19 0.00 0.04 -1.26 -4.32 135.00 132.05 1ek4 s PRO 272 Ca 0.22 1.38 0.19 0.00 0.04 0.00 0.00 61.00 62.83 1ek4 s PRO 272 Cb -0.12 -2.54 -0.00 0.00 0.04 0.00 0.00 34.50 31.89 1ek4 s PRO 272 CO 0.14 0.00 1.09 0.66 0.04 0.00 0.00 177.00 178.92 1ek4 h SER 273 N 2.57 0.00 0.00 6.66 4.64 -1.95 -3.48 113.55 121.98 1ek4 h SER 273 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 1ek4 h SER 273 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1ek4 h SER 273 CO 0.63 0.27 0.00 0.61 -0.87 0.00 0.00 176.83 177.47 1ek4 n GLY 274 N 1.25 2.24 0.25 -0.77 0.00 -1.26 -4.76 105.19 102.14 1ek4 n GLY 274 Ca -0.03 -0.48 -0.06 0.00 0.00 0.00 0.00 46.02 45.46 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 0.83 -0.43 1.61 4.22 -1.93 -1.73 114.58 117.14 1ek4 h GLU 275 Ca 0.00 -0.05 -0.07 0.00 0.08 0.00 0.00 59.36 59.32 1ek4 h GLU 275 Cb 0.00 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 1ek4 h GLU 275 CO 0.00 0.55 -0.00 0.78 -2.18 0.00 0.00 179.01 178.16 1ek4 h GLY 276 N 0.86 0.76 1.51 1.92 0.00 -1.85 -2.58 103.07 103.67 1ek4 h GLY 276 Ca 0.23 -0.49 -0.09 0.00 0.00 0.00 0.00 47.33 46.98 1ek4 h GLY 276 CO -0.05 0.45 -0.18 0.00 0.00 0.00 0.00 176.54 176.76 1ek4 h ALA 277 N 1.34 1.09 -0.14 3.60 0.00 -1.81 -1.03 119.26 122.31 1ek4 h ALA 277 Ca 0.13 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1ek4 h ALA 277 Cb 0.42 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1ek4 h ALA 277 CO 0.02 0.56 0.06 0.28 0.00 0.00 0.00 179.25 180.17 1ek4 h VAL 278 N 0.52 1.13 -0.55 0.00 2.07 -0.95 -1.00 116.25 117.47 1ek4 h VAL 278 Ca 0.08 -0.37 -0.05 0.00 0.82 0.00 0.00 66.70 67.18 1ek4 h VAL 278 Cb 0.61 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 1ek4 h VAL 278 CO 0.04 0.12 0.14 0.03 0.02 0.00 0.00 177.57 177.92 1ek4 h ARG 279 N 0.09 0.84 -0.18 1.57 3.08 -1.31 -1.87 114.38 116.60 1ek4 h ARG 279 Ca 0.05 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 1ek4 h ARG 279 Cb 0.13 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1ek4 h ARG 279 CO -0.01 0.75 0.04 0.00 -1.07 0.00 0.00 179.97 179.68 1ek4 h MET 281 N 0.09 1.10 -0.69 0.00 2.86 -1.07 -2.18 114.93 115.05 1ek4 h MET 281 Ca 0.06 -0.30 -0.08 0.00 -2.06 0.00 0.00 59.70 57.31 1ek4 h MET 281 Cb 0.28 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 1ek4 h MET 281 CO 0.00 1.02 0.12 0.87 1.06 0.00 0.00 176.91 179.98 1ek4 h LYS 282 N 1.03 1.13 -0.77 1.72 1.57 -1.25 -2.08 116.57 117.92 1ek4 h LYS 282 Ca 0.20 -0.30 -0.03 0.00 -1.87 0.00 0.00 60.65 58.65 1ek4 h LYS 282 Cb 0.46 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 1ek4 h LYS 282 CO 0.02 1.02 0.36 1.98 -0.57 0.00 0.00 179.45 182.25 1ek4 h MET 283 N 1.05 1.11 0.00 3.15 4.05 -0.89 -2.05 114.93 121.36 1ek4 h MET 283 Ca 0.21 -0.16 -0.02 0.00 -0.28 0.00 0.00 59.70 59.45 1ek4 h MET 283 Cb 0.43 -0.20 -0.00 0.00 -0.80 0.00 0.00 31.60 31.03 1ek4 h MET 283 CO 0.01 0.86 -0.09 0.00 0.23 0.00 0.00 176.91 177.92 1ek4 h ALA 284 N 1.29 1.01 -0.02 0.39 0.00 -1.05 -3.01 119.26 117.87 1ek4 h ALA 284 Ca 0.27 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1ek4 h ALA 284 Cb 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1ek4 h ALA 284 CO -0.03 0.12 -0.08 -1.33 0.00 0.00 0.00 179.25 177.93 1ek4 n MET 285 N -3.22 1.83 -1.89 0.00 2.00 -0.81 -4.12 117.12 110.92 1ek4 n MET 285 Ca 0.01 -1.36 -0.42 0.00 0.00 0.00 0.00 57.70 55.93 1ek4 n MET 285 Cb 0.38 -1.47 -0.03 0.00 0.00 0.00 0.00 33.22 32.10 1ek4 n MET 285 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 175.97 174.39 1ek4 s HIS 286 N -2.10 2.27 0.00 2.03 2.46 -0.99 -1.44 115.29 117.52 1ek4 s HIS 286 Ca 0.30 0.21 0.00 0.00 0.47 0.00 0.00 55.06 56.04 1ek4 s HIS 286 Cb 0.20 -4.00 0.00 0.00 -0.13 0.00 0.00 32.58 28.65 1ek4 s HIS 286 CO 0.36 -4.10 0.00 0.41 -2.47 0.00 0.00 174.74 168.94 1ek4 n GLY 287 N 4.07 1.49 3.43 1.59 0.00 -1.26 -4.96 105.19 109.55 1ek4 n GLY 287 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.44 4.93 -1.11 1.61 1.01 -0.52 -4.93 120.40 117.96 1ek4 s VAL 288 Ca 0.00 -0.61 0.16 0.00 0.00 0.00 0.00 61.98 61.54 1ek4 s VAL 288 Cb 0.00 -4.28 0.68 0.00 0.00 0.00 0.00 36.38 32.78 1ek4 s VAL 288 CO 0.00 -0.78 1.57 0.47 0.00 0.00 0.00 175.10 176.36 1ek4 n ASP 289 N 6.02 4.51 -4.68 3.32 8.00 -1.26 -4.88 116.55 127.57 1ek4 n ASP 289 Ca -0.08 -2.45 -0.29 0.00 0.71 0.00 0.00 54.79 52.68 1ek4 n ASP 289 Cb 0.45 -0.57 -0.08 0.00 -0.02 0.00 0.00 41.12 40.90 1ek4 n ASP 289 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1ek4 s THR 290 N -1.89 3.95 0.67 -3.53 -4.23 -1.26 -5.10 115.64 104.25 1ek4 s THR 290 Ca 0.47 -1.08 -0.14 0.00 -1.18 0.00 0.00 61.69 59.77 1ek4 s THR 290 Cb 0.31 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 71.25 1ek4 s THR 290 CO 0.22 0.07 1.09 -2.16 -0.54 0.00 0.00 174.62 173.30 1ek4 s PRO 291 N -2.44 2.83 -0.32 3.99 0.04 -1.26 -4.98 135.00 132.86 1ek4 s PRO 291 Ca 0.26 1.23 -0.25 0.00 0.04 0.00 0.00 61.00 62.28 1ek4 s PRO 291 Cb -0.11 -1.96 0.01 0.00 0.04 0.00 0.00 34.50 32.47 1ek4 s PRO 291 CO 0.18 -1.21 0.89 0.42 0.04 0.00 0.00 177.00 177.32 1ek4 s ILE 292 N -2.59 4.69 0.07 0.56 -1.09 -1.26 -4.45 121.20 117.12 1ek4 s ILE 292 Ca 0.64 1.33 0.05 0.00 -2.23 0.00 0.00 60.65 60.43 1ek4 s ILE 292 Cb -0.18 -4.25 -0.23 0.00 -1.58 0.00 0.00 42.46 36.22 1ek4 s ILE 292 CO 0.45 -0.36 1.08 0.44 -1.23 0.00 0.00 174.94 175.33 1ek4 h ASP 293 N 8.16 0.12 -4.28 3.58 3.32 -1.07 -3.40 116.42 122.86 1ek4 h ASP 293 Ca -0.23 -0.15 -0.15 0.00 0.02 0.00 0.00 57.03 56.52 1ek4 h ASP 293 Cb 1.08 -0.04 -0.23 0.00 0.22 0.00 0.00 39.33 40.36 1ek4 h ASP 293 CO 0.94 1.12 -0.39 -0.47 -1.72 0.00 0.00 179.24 178.73 1ek4 s TYR 294 N -2.67 -0.21 -0.12 4.55 5.04 -1.19 -2.91 117.35 119.83 1ek4 s TYR 294 Ca -0.02 0.48 -0.00 0.00 -2.44 0.00 0.00 57.07 55.08 1ek4 s TYR 294 Cb 0.09 0.08 0.03 0.00 0.35 0.00 0.00 41.96 42.50 1ek4 s TYR 294 CO 0.84 -0.22 -0.09 -1.17 -1.34 0.00 0.00 175.55 173.56 1ek4 s LEU 295 N -0.44 1.32 -0.56 6.97 0.20 -0.08 -1.07 118.68 125.01 1ek4 s LEU 295 Ca -0.06 -0.36 -0.20 0.00 0.69 0.00 0.00 54.13 54.20 1ek4 s LEU 295 Cb -0.04 -0.92 0.07 0.00 -0.43 0.00 0.00 46.19 44.88 1ek4 s LEU 295 CO 0.01 -0.11 0.74 0.21 -0.29 0.00 0.00 176.35 176.92 1ek4 s ASN 296 N 1.66 6.22 0.76 3.68 3.84 0.89 -2.96 114.94 129.02 1ek4 s ASN 296 Ca 0.05 -1.02 -0.11 0.00 0.21 0.00 0.00 52.86 51.99 1ek4 s ASN 296 Cb -0.13 -2.33 0.05 0.00 -0.55 0.00 0.00 41.25 38.29 1ek4 s ASN 296 CO -0.09 -1.09 1.08 -0.94 -2.79 0.00 0.00 177.10 173.27 1ek4 s SER 297 N 3.16 4.68 0.11 -4.21 1.04 -1.15 -1.85 113.70 115.48 1ek4 s SER 297 Ca 0.17 1.64 -0.15 0.00 0.48 0.00 0.00 55.95 58.09 1ek4 s SER 297 Cb -0.20 -2.41 -0.04 0.00 0.10 0.00 0.00 66.02 63.48 1ek4 s SER 297 CO 0.11 -1.89 1.52 -0.74 0.98 0.00 0.00 173.24 173.22 1ek4 h HIS 298 N -1.03 0.75 -0.65 5.02 2.76 -1.93 -3.44 115.15 116.63 1ek4 h HIS 298 Ca -0.45 -0.15 0.00 0.00 -2.20 0.00 0.00 60.37 57.57 1ek4 h HIS 298 Cb 1.23 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 30.01 1ek4 h HIS 298 CO 0.56 0.82 0.00 0.41 -1.30 0.00 0.00 177.93 178.42 1ek4 n GLY 299 N -0.22 0.00 0.12 5.26 0.00 -1.26 -4.85 105.19 104.24 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 0.16 0.00 -1.84 2.61 -2.24 -1.26 -4.55 114.28 107.16 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 0.11 0.00 0.00 -2.10 0.00 0.00 70.33 68.34 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 -1.04 -1.34 -4.60 3.42 2.88 -1.26 -3.94 113.62 107.73 1ek4 n SER 301 Ca 0.11 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.33 1ek4 n SER 301 Cb 0.32 -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 -2.56 3.65 0.14 2.46 -4.23 -1.26 -1.97 115.64 111.86 1ek4 s THR 302 Ca 0.00 -0.86 -0.30 0.00 -1.18 0.00 0.00 61.69 59.35 1ek4 s THR 302 Cb 0.00 -2.62 -0.06 0.00 1.34 0.00 0.00 72.50 71.16 1ek4 s THR 302 CO 0.00 0.33 1.57 -0.65 -0.54 0.00 0.00 174.62 175.33 1ek4 h PRO 303 N 4.28 -0.44 0.08 3.99 0.11 -1.94 -2.73 132.00 135.35 1ek4 h PRO 303 Ca -0.48 0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 1ek4 h PRO 303 Cb 1.17 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1ek4 h PRO 303 CO 0.54 -0.29 -0.04 0.28 -0.21 0.00 0.00 178.00 178.28 1ek4 h VAL 304 N -0.45 1.11 -0.53 3.15 2.07 -1.99 -3.38 116.25 116.23 1ek4 h VAL 304 Ca 0.09 -1.47 0.09 0.00 0.82 0.00 0.00 66.70 66.22 1ek4 h VAL 304 Cb 0.63 1.95 -0.07 0.00 -1.52 0.00 0.00 31.29 32.27 1ek4 h VAL 304 CO -0.48 0.32 0.12 1.23 0.02 0.00 0.00 177.57 178.78 1ek4 h GLY 305 N -0.86 0.67 0.20 2.17 0.00 -1.95 -1.89 103.07 101.41 1ek4 h GLY 305 Ca -0.01 -0.04 0.09 0.00 0.00 0.00 0.00 47.33 47.37 1ek4 h GLY 305 CO 0.02 -0.07 -0.05 -0.55 0.00 0.00 0.00 176.54 175.88 1ek4 h ASP 306 N 0.26 -0.29 0.82 0.19 5.19 -1.67 -2.25 116.42 118.67 1ek4 h ASP 306 Ca 0.27 0.12 -0.18 0.00 -0.62 0.00 0.00 57.03 56.62 1ek4 h ASP 306 Cb 0.37 0.23 -0.02 0.00 0.18 0.00 0.00 39.33 40.08 1ek4 h ASP 306 CO -0.34 -0.10 -0.84 -0.37 -3.12 0.00 0.00 179.24 174.47 1ek4 h VAL 307 N 0.05 1.59 -0.60 -1.35 -1.51 -1.68 -2.74 116.25 110.02 1ek4 h VAL 307 Ca 0.22 -2.84 -0.01 0.00 -1.23 0.00 0.00 66.70 62.84 1ek4 h VAL 307 Cb 0.32 2.54 -0.03 0.00 -2.13 0.00 0.00 31.29 31.99 1ek4 h VAL 307 CO -0.41 0.81 0.35 0.11 -1.23 0.00 0.00 177.57 177.21 1ek4 h LYS 308 N 0.01 0.83 -0.53 5.19 1.79 -1.02 -0.03 116.57 122.80 1ek4 h LYS 308 Ca -0.01 -0.08 -0.07 0.00 -2.18 0.00 0.00 60.65 58.31 1ek4 h LYS 308 Cb 1.48 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 31.94 1ek4 h LYS 308 CO 0.11 0.61 0.06 1.49 -1.08 0.00 0.00 179.45 180.64 1ek4 h GLU 309 N 0.82 0.90 -0.74 3.15 4.81 -1.41 -1.77 114.58 120.33 1ek4 h GLU 309 Ca 0.21 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 1ek4 h GLU 309 Cb 0.00 -0.10 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 1ek4 h GLU 309 CO -0.04 0.89 0.39 -0.07 -0.73 0.00 0.00 179.01 179.46 1ek4 h LEU 310 N 0.78 0.93 -0.67 1.64 3.38 -1.13 0.12 115.31 120.36 1ek4 h LEU 310 Ca 0.16 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1ek4 h LEU 310 Cb 0.45 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1ek4 h LEU 310 CO 0.02 0.76 0.19 0.00 0.09 0.00 0.00 178.44 179.50 1ek4 h ALA 311 N 1.39 0.88 -0.64 1.53 0.00 -0.73 -1.44 119.26 120.25 1ek4 h ALA 311 Ca 0.26 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 1ek4 h ALA 311 Cb 0.04 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1ek4 h ALA 311 CO -0.04 0.57 0.12 0.00 0.00 0.00 0.00 179.25 179.89 1ek4 h ALA 312 N 1.08 0.99 -0.55 0.00 0.00 -0.50 -2.15 119.26 118.14 1ek4 h ALA 312 Ca 0.21 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1ek4 h ALA 312 Cb 0.32 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1ek4 h ALA 312 CO -0.00 0.64 0.20 0.82 0.00 0.00 0.00 179.25 180.91 1ek4 h ILE 313 N 0.98 1.23 -0.77 0.00 2.04 -0.64 -1.76 117.51 118.59 1ek4 h ILE 313 Ca 0.20 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.34 1ek4 h ILE 313 Cb 0.40 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 37.12 1ek4 h ILE 313 CO 0.01 0.27 0.49 0.03 0.00 0.00 0.00 178.15 178.95 1ek4 h ARG 314 N 0.75 1.03 -0.59 2.37 3.08 -1.00 -0.60 114.38 119.40 1ek4 h ARG 314 Ca 0.18 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 60.09 1ek4 h ARG 314 Cb 0.23 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 1ek4 h ARG 314 CO -0.01 0.70 0.14 0.93 -1.07 0.00 0.00 179.97 180.65 1ek4 h GLU 315 N 1.05 0.96 -0.13 0.04 4.39 -1.09 0.79 114.58 120.58 1ek4 h GLU 315 Ca 0.28 -0.24 -0.09 0.00 0.34 0.00 0.00 59.36 59.65 1ek4 h GLU 315 Cb -0.09 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 28.44 1ek4 h GLU 315 CO -0.06 0.88 -0.27 0.28 -1.16 0.00 0.00 179.01 178.69 1ek4 h VAL 316 N 0.86 1.37 0.00 3.13 2.07 -1.05 -3.36 116.25 119.27 1ek4 h VAL 316 Ca 0.19 -1.53 0.00 0.00 0.82 0.00 0.00 66.70 66.17 1ek4 h VAL 316 Cb 0.36 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 1ek4 h VAL 316 CO 0.00 0.45 -1.72 0.49 0.02 0.00 0.00 177.57 176.82 1ek4 n PHE 317 N -4.43 0.15 0.00 1.57 3.01 -0.26 -5.04 117.46 112.46 1ek4 n PHE 317 Ca -0.07 0.04 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1ek4 n PHE 317 Cb 0.45 -0.52 0.00 0.00 -0.01 0.00 0.00 39.48 39.40 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 1.28 3.97 0.28 1.37 0.00 0.27 -1.00 105.19 111.36 1ek4 n GLY 318 Ca -0.02 0.11 0.12 0.00 0.00 0.00 0.00 46.02 46.22 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 7.20 0.85 -2.48 1.61 10.43 -1.26 -3.97 116.55 128.94 1ek4 n ASP 319 Ca 0.00 -1.46 -0.29 0.00 2.57 0.00 0.00 54.79 55.61 1ek4 n ASP 319 Cb 0.00 -0.04 0.01 0.00 1.84 0.00 0.00 41.12 42.93 1ek4 n ASP 319 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1ek4 n LYS 320 N -0.26 3.35 -2.66 -1.24 4.76 -0.17 -5.06 118.16 116.86 1ek4 n LYS 320 Ca 0.17 -4.31 -0.38 0.00 -2.87 0.00 0.00 58.31 50.92 1ek4 n LYS 320 Cb 0.22 -2.26 -0.05 0.00 -1.84 0.00 0.00 35.03 31.10 1ek4 n LYS 320 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1ek4 s SER 321 N -3.18 7.23 0.92 4.39 1.04 -1.25 -4.86 113.70 117.99 1ek4 s SER 321 Ca 0.49 1.98 -0.15 0.00 0.48 0.00 0.00 55.95 58.75 1ek4 s SER 321 Cb 0.41 -2.59 0.17 0.00 0.10 0.00 0.00 66.02 64.10 1ek4 s SER 321 CO -0.19 -0.15 1.28 -2.16 0.98 0.00 0.00 173.24 173.01 1ek4 s PRO 322 N -1.91 0.99 0.34 4.02 0.04 -1.26 -4.87 135.00 132.35 1ek4 s PRO 322 Ca 0.50 -0.27 -0.28 0.00 0.04 0.00 0.00 61.00 60.98 1ek4 s PRO 322 Cb -0.23 -1.87 -0.10 0.00 0.04 0.00 0.00 34.50 32.34 1ek4 s PRO 322 CO 0.29 -2.20 1.22 0.00 0.04 0.00 0.00 177.00 176.35 1ek4 s ALA 323 N -3.81 3.38 0.02 8.56 0.00 -1.15 -4.48 121.76 124.29 1ek4 s ALA 323 Ca 0.71 1.09 0.04 0.00 0.00 0.00 0.00 51.96 53.80 1ek4 s ALA 323 Cb -0.06 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.63 1ek4 s ALA 323 CO 0.52 -0.49 -0.12 0.42 0.00 0.00 0.00 175.76 176.09 1ek4 s ILE 324 N -1.22 0.90 -0.16 0.00 1.01 0.21 -0.90 121.20 121.04 1ek4 s ILE 324 Ca 0.50 -0.75 -0.23 0.00 0.00 0.00 0.00 60.65 60.17 1ek4 s ILE 324 Cb -0.35 -0.81 0.06 0.00 0.01 0.00 0.00 42.46 41.37 1ek4 s ILE 324 CO 0.46 0.06 0.59 -0.94 0.00 0.00 0.00 174.94 175.11 1ek4 s SER 325 N -0.79 -0.59 -0.41 3.58 1.04 -1.16 -0.96 113.70 114.42 1ek4 s SER 325 Ca 0.01 0.97 -0.07 0.00 0.48 0.00 0.00 55.95 57.34 1ek4 s SER 325 Cb -0.06 0.97 0.08 0.00 0.10 0.00 0.00 66.02 67.11 1ek4 s SER 325 CO 0.00 -0.33 0.23 0.00 0.98 0.00 0.00 173.24 174.12 1ek4 s ALA 326 N -0.22 3.22 -0.64 5.32 0.00 -1.26 -2.96 121.76 125.22 1ek4 s ALA 326 Ca -0.04 -2.20 0.19 0.00 0.00 0.00 0.00 51.96 49.91 1ek4 s ALA 326 Cb -0.03 -2.54 0.83 0.00 0.00 0.00 0.00 23.12 21.38 1ek4 s ALA 326 CO 0.03 -1.65 1.59 0.25 0.00 0.00 0.00 175.76 175.98 1ek4 n THR 327 N 4.82 0.96 0.30 0.00 -2.24 -1.26 -2.38 114.28 114.49 1ek4 n THR 327 Ca -0.09 0.30 0.19 0.00 -2.27 0.00 0.00 64.05 62.18 1ek4 n THR 327 Cb 0.43 -1.18 0.96 0.00 -2.10 0.00 0.00 70.33 68.43 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 -1.83 0.02 116.57 115.55 1ek4 h LYS 328 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1ek4 h LYS 328 Cb 0.28 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 1ek4 h LYS 328 CO 0.00 0.03 -0.08 0.00 -0.57 0.00 0.00 179.45 178.83 1ek4 h ALA 329 N 1.97 1.61 0.03 3.86 0.00 -1.73 0.98 119.26 125.99 1ek4 h ALA 329 Ca -0.00 -0.07 -0.37 0.00 0.00 0.00 0.00 54.91 54.47 1ek4 h ALA 329 Cb 0.21 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.94 1ek4 h ALA 329 CO 0.00 0.10 -2.14 -1.33 0.00 0.00 0.00 179.25 175.88 1ek4 n MET 330 N -4.07 0.64 0.01 0.00 2.81 -0.11 -4.63 117.12 111.78 1ek4 n MET 330 Ca -0.03 0.29 -0.01 0.00 -1.81 0.00 0.00 57.70 56.15 1ek4 n MET 330 Cb 0.16 -1.60 -0.10 0.00 -0.71 0.00 0.00 33.22 30.97 1ek4 n MET 330 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1ek4 n THR 331 N -3.81 1.17 0.00 2.03 -2.24 -0.59 -0.75 114.28 110.08 1ek4 n THR 331 Ca -0.42 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 60.65 1ek4 n THR 331 Cb 0.92 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 1ek4 n THR 331 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ek4 n GLY 332 N 1.43 -0.28 3.38 3.38 0.00 0.33 -4.56 105.19 108.87 1ek4 n GLY 332 Ca -0.12 -1.84 -0.45 0.00 0.00 0.00 0.00 46.02 43.61 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 -1.24 3.19 -1.41 1.61 2.46 0.11 -4.66 115.29 115.35 1ek4 s HIS 333 Ca 0.00 -0.93 0.03 0.00 0.47 0.00 0.00 55.06 54.64 1ek4 s HIS 333 Cb 0.00 -3.43 0.14 0.00 -0.13 0.00 0.00 32.58 29.15 1ek4 s HIS 333 CO 0.00 -0.93 0.91 -1.13 -2.47 0.00 0.00 174.74 171.12 1ek4 n SER 334 N 5.49 1.32 0.00 9.88 3.41 -1.26 -0.99 113.62 131.47 1ek4 n SER 334 Ca -0.11 -2.09 0.00 0.00 -0.26 0.00 0.00 58.87 56.41 1ek4 n SER 334 Cb 0.43 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 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 0.01 0.00 0.27 1.04 4.77 -1.26 -1.62 117.00 120.21 1ek4 n LEU 335 Ca 0.05 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.19 1ek4 n LEU 335 Cb 0.28 0.00 0.89 0.00 -2.33 0.00 0.00 43.42 42.26 1ek4 n LEU 335 CO 0.05 0.00 1.13 1.23 -1.33 0.00 0.00 177.39 178.47 1ek4 h GLY 336 N 0.00 0.00 0.75 -0.72 0.00 -1.86 -1.77 103.07 99.47 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 -0.49 0.00 0.00 0.00 0.00 176.54 176.05 1ek4 n ALA 337 N -2.32 3.56 -0.14 3.60 0.00 -0.64 -2.32 120.51 122.25 1ek4 n ALA 337 Ca -0.02 -0.38 -0.05 0.00 0.00 0.00 0.00 53.44 52.99 1ek4 n ALA 337 Cb 0.15 -1.09 0.04 0.00 0.00 0.00 0.00 19.45 18.55 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 3.14 0.55 0.09 0.00 0.00 -1.40 -2.33 119.26 119.31 1ek4 h ALA 338 Ca 0.00 0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1ek4 h ALA 338 Cb 0.51 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.22 1ek4 h ALA 338 CO 0.00 -0.17 -0.39 0.78 0.00 0.00 0.00 179.25 179.47 1ek4 h GLY 339 N 0.40 -0.76 1.16 0.00 0.00 -1.76 -0.27 103.07 101.83 1ek4 h GLY 339 Ca 0.20 0.47 -0.14 0.00 0.00 0.00 0.00 47.33 47.86 1ek4 h GLY 339 CO -0.17 -0.26 -0.26 -0.24 0.00 0.00 0.00 176.54 175.61 1ek4 h VAL 340 N -0.60 1.27 -0.69 4.60 3.04 -1.72 -1.68 116.25 120.46 1ek4 h VAL 340 Ca 0.03 -1.43 -0.04 0.00 -1.01 0.00 0.00 66.70 64.26 1ek4 h VAL 340 Cb 0.65 1.20 -0.03 0.00 -2.01 0.00 0.00 31.29 31.10 1ek4 h VAL 340 CO -0.25 0.49 0.28 1.56 -1.01 0.00 0.00 177.57 178.63 1ek4 h GLN 341 N 0.81 1.03 0.00 4.17 4.20 -1.27 -0.59 115.11 123.45 1ek4 h GLN 341 Ca 0.10 -0.19 -0.13 0.00 0.06 0.00 0.00 58.65 58.49 1ek4 h GLN 341 Cb 0.84 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 1ek4 h GLN 341 CO 0.07 0.85 -0.62 0.93 -0.67 0.00 0.00 178.83 179.39 1ek4 h GLU 342 N 0.98 0.00 -0.52 1.46 5.08 -1.00 0.19 114.58 120.76 1ek4 h GLU 342 Ca 0.23 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.49 1ek4 h GLU 342 Cb 0.21 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1ek4 h GLU 342 CO -0.02 0.62 -0.07 0.00 -1.00 0.00 0.00 179.01 178.55 1ek4 h ALA 343 N 1.38 0.89 -0.40 3.43 0.00 -0.91 -1.00 119.26 122.66 1ek4 h ALA 343 Ca -0.01 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 1ek4 h ALA 343 Cb 1.11 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1ek4 h ALA 343 CO 0.08 0.64 -0.03 0.82 0.00 0.00 0.00 179.25 180.76 1ek4 h ILE 344 N 0.85 1.27 -0.76 0.00 2.04 -0.54 -0.34 117.51 120.03 1ek4 h ILE 344 Ca 0.15 -1.07 0.02 0.00 1.00 0.00 0.00 64.86 64.95 1ek4 h ILE 344 Cb 0.59 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.80 1ek4 h ILE 344 CO 0.04 0.36 0.50 1.88 0.00 0.00 0.00 178.15 180.92 1ek4 h TYR 345 N 0.54 0.94 -0.78 1.37 0.05 -0.70 -0.89 116.97 117.51 1ek4 h TYR 345 Ca 0.11 0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.87 1ek4 h TYR 345 Cb 0.52 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.91 1ek4 h TYR 345 CO 0.04 0.57 0.32 0.77 -1.05 0.00 0.00 178.16 178.82 1ek4 h SER 346 N 1.00 1.06 -0.14 3.88 0.02 -0.92 -1.55 113.55 116.90 1ek4 h SER 346 Ca 0.29 -0.15 -0.08 0.00 -0.84 0.00 0.00 61.79 61.00 1ek4 h SER 346 Cb -0.07 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.18 1ek4 h SER 346 CO -0.08 0.93 -0.16 -0.07 -1.14 0.00 0.00 176.83 176.31 1ek4 h LEU 347 N 1.13 0.52 -0.44 5.07 3.38 -0.35 -1.09 115.31 123.53 1ek4 h LEU 347 Ca 0.26 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 1ek4 h LEU 347 Cb 0.19 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1ek4 h LEU 347 CO -0.02 0.70 -0.25 -0.07 0.09 0.00 0.00 178.44 178.89 1ek4 h LEU 348 N 0.48 0.98 -0.76 1.67 3.38 -0.70 0.14 115.31 120.50 1ek4 h LEU 348 Ca 0.08 -0.42 -0.06 0.00 0.09 0.00 0.00 57.88 57.58 1ek4 h LEU 348 Cb 0.56 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1ek4 h LEU 348 CO 0.04 1.18 0.26 0.24 0.09 0.00 0.00 178.44 180.25 1ek4 h MET 349 N 0.78 1.16 -0.34 1.13 2.86 -1.03 0.39 114.93 119.89 1ek4 h MET 349 Ca 0.09 -0.24 -0.07 0.00 -2.06 0.00 0.00 59.70 57.43 1ek4 h MET 349 Cb 0.83 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.30 1ek4 h MET 349 CO 0.07 0.97 -0.06 1.25 1.06 0.00 0.00 176.91 180.21 1ek4 h LEU 350 N 1.12 0.64 -0.58 1.22 5.85 -0.96 0.11 115.31 122.70 1ek4 h LEU 350 Ca 0.25 -0.35 -0.12 0.00 0.84 0.00 0.00 57.88 58.49 1ek4 h LEU 350 Cb 0.28 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.12 1ek4 h LEU 350 CO -0.01 0.84 -0.20 -0.08 -0.34 0.00 0.00 178.44 178.64 1ek4 h GLU 351 N 0.43 0.92 -0.04 1.25 4.57 -0.50 -3.29 114.58 117.92 1ek4 h GLU 351 Ca 0.09 -0.38 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 1ek4 h GLU 351 Cb 0.54 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.09 1ek4 h GLU 351 CO 0.03 1.04 0.00 0.72 -1.18 0.00 0.00 179.01 179.61 1ek4 n HIS 352 N -4.12 0.02 -2.91 0.92 8.25 0.11 -5.03 115.22 112.47 1ek4 n HIS 352 Ca 0.00 -0.01 -0.12 0.00 -0.26 0.00 0.00 57.72 57.33 1ek4 n HIS 352 Cb 0.44 -0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.61 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 1.21 -0.54 3.39 -1.41 0.00 0.33 -4.96 105.19 103.22 1ek4 n GLY 353 Ca 0.13 0.27 -0.11 0.00 0.00 0.00 0.00 46.02 46.31 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 -3.29 -0.37 -0.19 1.61 -0.12 -0.96 -1.72 117.98 112.94 1ek4 s PHE 354 Ca 0.25 0.11 -0.01 0.00 -0.05 0.00 0.00 56.93 57.23 1ek4 s PHE 354 Cb -0.03 0.43 -0.00 0.00 -0.63 0.00 0.00 43.02 42.79 1ek4 s PHE 354 CO 0.57 -0.80 -0.11 0.42 -0.05 0.00 0.00 175.22 175.24 1ek4 s ILE 355 N -3.78 2.87 0.32 -4.49 1.01 0.56 -4.55 121.20 113.14 1ek4 s ILE 355 Ca 0.02 -0.68 -0.28 0.00 0.00 0.00 0.00 60.65 59.71 1ek4 s ILE 355 Cb 0.00 -2.26 -0.10 0.00 0.01 0.00 0.00 42.46 40.12 1ek4 s ILE 355 CO -0.12 0.48 1.19 0.00 0.00 0.00 0.00 174.94 176.50 1ek4 s ALA 356 N 1.19 3.40 0.54 9.38 0.00 -1.26 -2.35 121.76 132.66 1ek4 s ALA 356 Ca 0.02 1.05 -0.18 0.00 0.00 0.00 0.00 51.96 52.85 1ek4 s ALA 356 Cb -0.14 -3.39 -0.06 0.00 0.00 0.00 0.00 23.12 19.52 1ek4 s ALA 356 CO -0.04 -0.41 1.06 -1.25 0.00 0.00 0.00 175.76 175.12 1ek4 s PRO 357 N -1.72 3.53 -0.62 0.00 0.04 -1.26 -4.78 135.00 130.20 1ek4 s PRO 357 Ca 0.48 1.32 -0.18 0.00 0.04 0.00 0.00 61.00 62.67 1ek4 s PRO 357 Cb -0.35 -2.06 0.12 0.00 0.04 0.00 0.00 34.50 32.26 1ek4 s PRO 357 CO 0.45 -0.65 0.67 0.45 0.04 0.00 0.00 177.00 177.96 1ek4 s SER 358 N -2.30 6.26 0.80 6.66 0.15 0.14 -4.75 113.70 120.66 1ek4 s SER 358 Ca 0.66 -1.70 -0.10 0.00 0.70 0.00 0.00 55.95 55.51 1ek4 s SER 358 Cb -0.17 -2.27 0.11 0.00 -1.71 0.00 0.00 66.02 61.98 1ek4 s SER 358 CO 0.28 -0.98 1.14 0.27 1.20 0.00 0.00 173.24 175.15 1ek4 s ILE 359 N 2.11 2.10 -1.56 6.45 -4.36 -1.26 -4.46 121.20 120.23 1ek4 s ILE 359 Ca 0.10 -0.14 0.00 0.00 -0.26 0.00 0.00 60.65 60.35 1ek4 s ILE 359 Cb -0.24 -2.96 0.00 0.00 1.25 0.00 0.00 42.46 40.51 1ek4 s ILE 359 CO 0.03 0.00 0.00 0.59 0.24 0.00 0.00 174.94 175.80 1ek4 n ASN 360 N -3.26 -4.78 -4.41 4.36 3.02 -1.26 -4.53 115.26 104.40 1ek4 n ASN 360 Ca 0.10 0.31 -0.44 0.00 -0.03 0.00 0.00 54.58 54.52 1ek4 n ASN 360 Cb 0.60 -3.67 -0.05 0.00 -0.61 0.00 0.00 39.78 36.05 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 -2.60 4.76 -0.11 2.41 1.01 -1.26 -4.76 121.20 120.65 1ek4 s ILE 361 Ca 0.00 -0.74 0.06 0.00 0.00 0.00 0.00 60.65 59.97 1ek4 s ILE 361 Cb 0.00 -4.46 -0.24 0.00 0.01 0.00 0.00 42.46 37.77 1ek4 s ILE 361 CO 0.00 -1.08 0.42 -0.62 0.00 0.00 0.00 174.94 173.65 1ek4 n GLU 362 N 6.50 0.68 -3.57 2.79 1.02 -1.26 -4.77 120.64 122.04 1ek4 n GLU 362 Ca -0.08 0.24 -0.28 0.00 -0.02 0.00 0.00 57.16 57.02 1ek4 n GLU 362 Cb 0.44 -1.71 -0.16 0.00 -0.02 0.00 0.00 31.44 29.99 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 -2.57 0.13 0.20 3.49 2.12 -1.26 -5.06 118.70 115.76 1ek4 s GLU 363 Ca -0.14 -0.33 -0.31 0.00 0.36 0.00 0.00 54.97 54.55 1ek4 s GLU 363 Cb 0.07 -1.45 -0.11 0.00 0.26 0.00 0.00 34.13 32.91 1ek4 s GLU 363 CO 0.79 -0.87 1.59 -1.17 -0.54 0.00 0.00 175.26 175.06 1ek4 s LEU 364 N 2.12 4.37 0.38 2.70 2.96 -1.26 -0.16 118.68 129.79 1ek4 s LEU 364 Ca 0.06 2.73 -0.27 0.00 -0.22 0.00 0.00 54.13 56.44 1ek4 s LEU 364 Cb -0.16 -3.60 -0.11 0.00 0.50 0.00 0.00 46.19 42.82 1ek4 s LEU 364 CO -0.25 -0.86 1.32 -0.67 -1.32 0.00 0.00 176.35 174.58 1ek4 n ASP 365 N 3.50 2.88 -0.32 3.68 -0.08 -0.36 -4.71 116.55 121.15 1ek4 n ASP 365 Ca 0.13 1.17 0.08 0.00 -1.51 0.00 0.00 54.79 54.66 1ek4 n ASP 365 Cb 0.38 -1.52 0.25 0.00 2.34 0.00 0.00 41.12 42.56 1ek4 n ASP 365 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 1ek4 h GLU 366 N 2.42 0.70 0.00 -0.67 5.08 -1.91 -1.00 114.58 119.20 1ek4 h GLU 366 Ca -0.48 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 1ek4 h GLU 366 Cb 1.28 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1ek4 h GLU 366 CO 0.62 0.46 0.00 1.04 -1.00 0.00 0.00 179.01 180.13 1ek4 n GLN 367 N -4.80 0.17 0.00 2.33 6.02 -1.26 -2.03 117.38 117.80 1ek4 n GLN 367 Ca 0.19 0.17 0.12 0.00 -0.01 0.00 0.00 57.00 57.46 1ek4 n GLN 367 Cb 0.45 -1.50 0.15 0.00 1.02 0.00 0.00 30.24 30.35 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 -1.34 2.76 -1.77 -1.58 0.00 -0.38 -4.92 120.51 113.28 1ek4 n ALA 368 Ca 0.06 -0.63 -0.41 0.00 0.00 0.00 0.00 53.44 52.46 1ek4 n ALA 368 Cb 0.13 -0.87 -0.01 0.00 0.00 0.00 0.00 19.45 18.71 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 -2.14 3.64 0.00 0.00 0.00 -0.86 -2.69 121.76 119.72 1ek4 s ALA 369 Ca 0.27 1.59 0.00 0.00 0.00 0.00 0.00 51.96 53.82 1ek4 s ALA 369 Cb 0.20 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1ek4 s ALA 369 CO 0.38 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.49 1ek4 n GLY 370 N 1.04 3.14 3.86 0.00 0.00 -1.26 -5.03 105.19 106.94 1ek4 n GLY 370 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 3.51 -1.21 0.99 1.43 -1.09 -4.99 118.68 117.33 1ek4 s LEU 371 Ca 0.00 1.40 -0.11 0.00 -1.03 0.00 0.00 54.13 54.39 1ek4 s LEU 371 Cb 0.00 -4.37 0.20 0.00 0.03 0.00 0.00 46.19 42.05 1ek4 s LEU 371 CO 0.00 -0.66 1.54 -3.20 0.23 0.00 0.00 176.35 174.26 1ek4 n ASN 372 N -2.01 5.36 -4.53 2.29 5.15 -1.26 -4.96 115.26 115.29 1ek4 n ASN 372 Ca 0.05 -3.08 -0.43 0.00 -0.60 0.00 0.00 54.58 50.53 1ek4 n ASN 372 Cb 0.54 -1.48 -0.07 0.00 -0.53 0.00 0.00 39.78 38.24 1ek4 n ASN 372 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1ek4 s ILE 373 N 0.29 4.85 -0.09 -1.44 1.01 -1.26 -0.62 121.20 123.94 1ek4 s ILE 373 Ca 0.39 0.25 -0.30 0.00 0.00 0.00 0.00 60.65 60.99 1ek4 s ILE 373 Cb 0.01 -4.16 -0.03 0.00 0.01 0.00 0.00 42.46 38.30 1ek4 s ILE 373 CO 0.00 -0.50 1.26 -0.69 0.00 0.00 0.00 174.94 175.02 1ek4 s VAL 374 N 2.77 4.18 -1.31 2.92 1.01 -0.13 -4.92 120.40 124.92 1ek4 s VAL 374 Ca 0.23 1.48 0.13 0.00 0.00 0.00 0.00 61.98 63.82 1ek4 s VAL 374 Cb -0.14 -3.95 0.03 0.00 0.00 0.00 0.00 36.38 32.32 1ek4 s VAL 374 CO 0.18 -0.06 0.79 0.35 0.00 0.00 0.00 175.10 176.35 1ek4 n THR 375 N 4.96 0.00 -4.03 3.92 -2.24 -1.26 -0.69 114.28 114.94 1ek4 n THR 375 Ca 0.13 -0.41 -0.13 0.00 -2.27 0.00 0.00 64.05 61.36 1ek4 n THR 375 Cb 0.45 1.19 -0.13 0.00 -2.10 0.00 0.00 70.33 69.74 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 -1.42 0.32 0.14 -0.78 -1.05 -1.26 -4.54 118.70 110.11 1ek4 s GLU 376 Ca 0.12 -0.35 -0.35 0.00 -0.15 0.00 0.00 54.97 54.24 1ek4 s GLU 376 Cb 0.10 -0.18 -0.15 0.00 -0.44 0.00 0.00 34.13 33.47 1ek4 s GLU 376 CO 0.26 0.04 1.46 2.41 0.95 0.00 0.00 175.26 180.38 1ek4 n THR 377 N 2.38 0.13 -4.06 1.83 -1.04 -1.26 -4.58 114.28 107.68 1ek4 n THR 377 Ca -0.17 -0.03 -0.23 0.00 -2.04 0.00 0.00 64.05 61.57 1ek4 n THR 377 Cb 0.57 -1.25 -0.17 0.00 -1.82 0.00 0.00 70.33 67.67 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 0.62 0.72 0.12 12.58 2.01 -0.99 -4.98 115.64 125.72 1ek4 s THR 378 Ca 0.79 -0.16 -0.30 0.00 0.31 0.00 0.00 61.69 62.33 1ek4 s THR 378 Cb -0.78 -0.76 -0.06 0.00 0.01 0.00 0.00 72.50 70.91 1ek4 s THR 378 CO 0.43 0.29 1.04 -1.81 -0.69 0.00 0.00 174.62 173.88 1ek4 s ASP 379 N 1.36 7.36 -0.28 3.53 1.01 -1.26 -0.32 116.67 128.06 1ek4 s ASP 379 Ca -0.03 1.91 -0.24 0.00 0.71 0.00 0.00 52.55 54.90 1ek4 s ASP 379 Cb -0.14 -2.59 0.12 0.00 1.01 0.00 0.00 42.92 41.33 1ek4 s ASP 379 CO -0.03 -0.18 1.02 -0.60 0.21 0.00 0.00 175.17 175.58 1ek4 s ARG 380 N 0.08 0.50 -0.30 8.23 3.52 -0.70 -4.94 118.95 125.34 1ek4 s ARG 380 Ca 0.50 0.62 -0.29 0.00 -0.13 0.00 0.00 55.73 56.43 1ek4 s ARG 380 Cb -0.26 0.23 0.00 0.00 -1.56 0.00 0.00 34.95 33.37 1ek4 s ARG 380 CO 0.31 -0.06 1.29 -1.21 -0.81 0.00 0.00 175.30 174.82 1ek4 s GLU 381 N 0.34 3.92 0.06 5.12 2.02 -1.26 -3.47 118.70 125.43 1ek4 s GLU 381 Ca 0.02 1.24 0.01 0.00 0.02 0.00 0.00 54.97 56.26 1ek4 s GLU 381 Cb -0.05 -3.87 -0.04 0.00 0.10 0.00 0.00 34.13 30.27 1ek4 s GLU 381 CO -0.07 -1.11 0.14 -0.51 0.02 0.00 0.00 175.26 173.73 1ek4 s LEU 382 N 4.34 4.07 0.00 1.80 1.43 -1.26 -5.01 118.68 124.05 1ek4 s LEU 382 Ca 0.56 0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.79 1ek4 s LEU 382 Cb -0.16 -2.69 0.00 0.00 0.03 0.00 0.00 46.19 43.37 1ek4 s LEU 382 CO 0.23 0.18 0.00 0.41 0.23 0.00 0.00 176.35 177.40 1ek4 n THR 383 N 0.44 0.00 -4.34 5.49 -1.04 -1.26 -4.89 114.28 108.68 1ek4 n THR 383 Ca -0.07 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.67 1ek4 n THR 383 Cb 0.51 -0.72 -0.17 0.00 -1.82 0.00 0.00 70.33 68.14 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 -1.85 1.26 0.12 12.58 2.01 -1.26 -1.15 115.64 127.35 1ek4 s THR 384 Ca 0.00 -0.50 0.07 0.00 0.31 0.00 0.00 61.69 61.57 1ek4 s THR 384 Cb 0.00 -1.18 -0.04 0.00 0.01 0.00 0.00 72.50 71.29 1ek4 s THR 384 CO 0.00 0.40 -0.17 0.68 -0.69 0.00 0.00 174.62 174.83 1ek4 s VAL 385 N 1.09 1.53 0.07 3.82 -7.23 -0.13 -0.34 120.40 119.20 1ek4 s VAL 385 Ca -0.06 -1.64 0.07 0.00 -1.81 0.00 0.00 61.98 58.54 1ek4 s VAL 385 Cb -0.14 -1.54 -0.03 0.00 0.56 0.00 0.00 36.38 35.23 1ek4 s VAL 385 CO -0.02 -0.24 -0.19 -0.32 -0.31 0.00 0.00 175.10 174.01 1ek4 s MET 386 N -2.30 1.16 -0.05 4.82 -2.45 -0.23 -1.00 119.30 119.25 1ek4 s MET 386 Ca 0.08 -1.00 -0.01 0.00 -1.25 0.00 0.00 55.69 53.51 1ek4 s MET 386 Cb -0.08 -1.31 0.03 0.00 1.25 0.00 0.00 34.83 34.72 1ek4 s MET 386 CO 0.04 0.32 0.01 0.45 1.05 0.00 0.00 175.02 176.89 1ek4 s SER 387 N -1.51 1.00 0.01 1.11 0.15 -0.27 -0.08 113.70 114.11 1ek4 s SER 387 Ca 0.05 -0.02 -0.02 0.00 0.70 0.00 0.00 55.95 56.66 1ek4 s SER 387 Cb -0.09 -0.28 -0.04 0.00 -1.71 0.00 0.00 66.02 63.90 1ek4 s SER 387 CO 0.03 -0.17 0.18 0.20 1.20 0.00 0.00 173.24 174.68 1ek4 s ASN 388 N 1.62 6.33 -0.15 5.45 0.01 -0.77 -1.70 114.94 125.72 1ek4 s ASN 388 Ca -0.01 0.31 -0.04 0.00 -0.71 0.00 0.00 52.86 52.41 1ek4 s ASN 388 Cb -0.13 -1.97 0.07 0.00 0.41 0.00 0.00 41.25 39.64 1ek4 s ASN 388 CO -0.03 0.24 0.23 -0.44 -1.51 0.00 0.00 177.10 175.59 1ek4 s SER 389 N -2.08 0.79 0.07 -1.22 0.01 -0.31 -3.63 113.70 107.33 1ek4 s SER 389 Ca 0.29 0.24 0.09 0.00 1.31 0.00 0.00 55.95 57.88 1ek4 s SER 389 Cb -0.13 0.53 -0.03 0.00 0.21 0.00 0.00 66.02 66.60 1ek4 s SER 389 CO 0.21 -0.27 -0.25 -0.36 0.41 0.00 0.00 173.24 172.97 1ek4 s PHE 390 N 2.37 2.20 0.24 2.43 0.08 -1.26 -1.11 117.98 122.93 1ek4 s PHE 390 Ca 0.04 -0.40 0.02 0.00 0.12 0.00 0.00 56.93 56.71 1ek4 s PHE 390 Cb -0.14 -1.27 -0.05 0.00 -0.57 0.00 0.00 43.02 40.99 1ek4 s PHE 390 CO -0.10 0.18 0.06 0.20 -0.10 0.00 0.00 175.22 175.46 1ek4 s GLY 391 N -1.49 1.64 0.64 4.36 0.00 0.20 -4.23 107.32 108.46 1ek4 s GLY 391 Ca 0.11 -1.82 -0.18 0.00 0.00 0.00 0.00 44.72 42.83 1ek4 s GLY 391 CO 0.03 -1.61 1.22 0.69 0.00 0.00 0.00 173.10 173.43 1ek4 n PHE 392 N -0.44 1.68 -0.54 1.90 0.99 -1.26 -2.38 117.46 117.41 1ek4 n PHE 392 Ca -0.02 0.42 0.00 0.00 -0.00 0.00 0.00 57.45 57.85 1ek4 n PHE 392 Cb 0.65 -2.24 0.00 0.00 -1.00 0.00 0.00 39.48 36.90 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 1.01 0.74 3.20 1.37 0.00 0.12 -4.17 105.19 107.46 1ek4 n GLY 393 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.40 -0.32 3.75 -0.02 0.00 -1.00 -4.71 105.19 100.48 1ek4 n GLY 394 Ca 0.00 0.09 -0.36 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 -3.24 5.38 0.07 2.61 -1.32 -1.07 -0.34 115.64 117.73 1ek4 s THR 395 Ca 0.46 0.32 0.08 0.00 -1.21 0.00 0.00 61.69 61.33 1ek4 s THR 395 Cb -0.20 -3.52 -0.03 0.00 -1.51 0.00 0.00 72.50 67.24 1ek4 s THR 395 CO 0.57 0.45 -0.22 0.20 -2.21 0.00 0.00 174.62 173.40 1ek4 s ASN 396 N 0.21 2.70 -0.10 8.08 0.01 -0.45 -0.62 114.94 124.75 1ek4 s ASN 396 Ca 0.12 -0.60 -0.08 0.00 -0.71 0.00 0.00 52.86 51.59 1ek4 s ASN 396 Cb -0.12 -0.20 0.03 0.00 0.41 0.00 0.00 41.25 41.37 1ek4 s ASN 396 CO 0.01 0.15 0.26 0.00 -1.51 0.00 0.00 177.10 176.01 1ek4 s ALA 397 N -0.92 -0.64 -0.02 0.60 0.00 -0.27 -2.05 121.76 118.47 1ek4 s ALA 397 Ca 0.09 0.82 0.01 0.00 0.00 0.00 0.00 51.96 52.88 1ek4 s ALA 397 Cb -0.09 -0.49 0.01 0.00 0.00 0.00 0.00 23.12 22.55 1ek4 s ALA 397 CO 0.03 -0.14 -0.02 0.99 0.00 0.00 0.00 175.76 176.61 1ek4 s THR 398 N 0.43 0.29 -0.04 0.00 2.01 -0.32 -1.16 115.64 116.84 1ek4 s THR 398 Ca -0.02 -0.06 0.06 0.00 0.31 0.00 0.00 61.69 61.98 1ek4 s THR 398 Cb -0.04 -0.31 -0.01 0.00 0.01 0.00 0.00 72.50 72.15 1ek4 s THR 398 CO -0.02 0.13 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.04 1ek4 s LEU 399 N 0.48 2.04 -0.12 4.42 1.43 -0.69 -0.56 118.68 125.68 1ek4 s LEU 399 Ca -0.05 -0.46 0.02 0.00 -1.03 0.00 0.00 54.13 52.61 1ek4 s LEU 399 Cb -0.08 -1.27 0.01 0.00 0.03 0.00 0.00 46.19 44.88 1ek4 s LEU 399 CO -0.01 0.25 -0.20 -0.69 0.23 0.00 0.00 176.35 175.94 1ek4 s VAL 400 N -0.27 1.84 0.01 -1.59 1.01 -0.37 -1.11 120.40 119.93 1ek4 s VAL 400 Ca 0.01 -0.85 0.07 0.00 0.00 0.00 0.00 61.98 61.20 1ek4 s VAL 400 Cb -0.12 -1.64 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 1ek4 s VAL 400 CO 0.02 0.51 -0.21 -0.04 0.00 0.00 0.00 175.10 175.38 1ek4 s MET 401 N 0.82 1.56 0.01 2.72 -1.94 -0.17 -1.63 119.30 120.66 1ek4 s MET 401 Ca -0.08 -0.84 0.01 0.00 -1.71 0.00 0.00 55.69 53.07 1ek4 s MET 401 Cb -0.16 -1.59 -0.01 0.00 2.01 0.00 0.00 34.83 35.09 1ek4 s MET 401 CO -0.01 0.42 -0.05 0.50 -0.01 0.00 0.00 175.02 175.88 1ek4 s ARG 402 N -0.81 0.38 0.59 2.03 3.52 -0.26 -0.96 118.95 123.45 1ek4 s ARG 402 Ca 0.08 -0.32 -0.20 0.00 -0.13 0.00 0.00 55.73 55.16 1ek4 s ARG 402 Cb -0.08 -0.29 -0.03 0.00 -1.56 0.00 0.00 34.95 32.99 1ek4 s ARG 402 CO 0.00 0.07 1.32 0.15 -0.81 0.00 0.00 175.30 176.04 1ek4 s LYS 403 N -0.54 2.87 0.40 5.12 1.02 -0.30 -0.48 119.74 127.83 1ek4 s LYS 403 Ca -0.02 2.15 0.05 0.00 0.02 0.00 0.00 55.97 58.16 1ek4 s LYS 403 Cb -0.04 -2.06 0.00 0.00 -0.52 0.00 0.00 37.83 35.21 1ek4 s LYS 403 CO -0.00 -1.37 0.57 -1.17 -0.92 0.00 0.00 175.35 172.46 1ek4 s LEU 404 N -3.92 3.76 0.17 3.17 2.96 -1.26 -4.79 118.68 118.78 1ek4 s LEU 404 Ca 0.77 -0.08 -0.31 0.00 -0.22 0.00 0.00 54.13 54.29 1ek4 s LEU 404 Cb -0.39 -2.86 -0.10 0.00 0.50 0.00 0.00 46.19 43.34 1ek4 s LEU 404 CO 0.44 -0.63 1.56 -0.54 -1.32 0.00 0.00 176.35 175.85 1ek4 s LYS 405 N -4.37 4.22 0.00 1.98 3.01 -1.26 -5.10 119.74 118.22 1ek4 s LYS 405 Ca 0.49 2.36 0.00 0.00 -1.01 0.00 0.00 55.97 57.81 1ek4 s LYS 405 Cb -0.10 -3.15 0.00 0.00 -1.01 0.00 0.00 37.83 33.57 1ek4 s LYS 405 CO 0.34 -0.59 0.00 -3.47 0.51 0.00 0.00 175.35 172.14