#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xl4 s THR 24 N 0.00 3.81 0.08 1.39 2.01 -1.26 -5.06 115.64 116.62 1xl4 s THR 24 Ca 0.00 1.74 0.03 0.00 0.31 0.00 0.00 61.69 63.77 1xl4 s THR 24 Cb 0.00 -4.07 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 1xl4 s THR 24 CO 0.00 0.35 0.08 -0.13 -0.69 0.00 0.00 174.62 174.23 1xl4 s ARG 25 N -1.53 2.89 -0.52 4.92 0.52 -1.26 -5.09 118.95 118.87 1xl4 s ARG 25 Ca 0.45 -0.70 0.04 0.00 -0.52 0.00 0.00 55.73 55.00 1xl4 s ARG 25 Cb -0.27 -2.72 0.14 0.00 0.52 0.00 0.00 34.95 32.62 1xl4 s ARG 25 CO 0.34 0.56 0.30 -0.51 0.02 0.00 0.00 175.30 176.02 1xl4 s LEU 26 N -2.44 3.73 0.11 2.53 1.43 -1.26 -4.62 118.68 118.16 1xl4 s LEU 26 Ca 0.29 -3.06 0.00 0.00 -1.03 0.00 0.00 54.13 50.33 1xl4 s LEU 26 Cb -0.12 -1.37 0.00 0.00 0.03 0.00 0.00 46.19 44.72 1xl4 s LEU 26 CO 0.22 -0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.20 1xl4 n GLY 27 N 3.00 -1.68 2.74 -3.19 0.00 -1.26 -5.01 105.19 99.78 1xl4 n GLY 27 Ca 0.10 0.57 -0.08 0.00 0.00 0.00 0.00 46.02 46.61 1xl4 n GLY 27 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xl4 n LEU 28 N -2.80 -2.58 0.31 0.99 4.77 -1.26 -5.05 117.00 111.37 1xl4 n LEU 28 Ca 0.00 -3.33 0.19 0.00 -0.03 0.00 0.00 56.01 52.84 1xl4 n LEU 28 Cb 0.00 0.87 1.05 0.00 -2.33 0.00 0.00 43.42 43.00 1xl4 n LEU 28 CO 0.00 2.00 1.16 -0.08 -1.33 0.00 0.00 177.39 179.14 1xl4 h GLU 29 N 3.55 0.00 -4.15 3.23 4.81 -1.95 -3.45 114.58 116.61 1xl4 h GLU 29 Ca -0.14 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.79 1xl4 h GLU 29 Cb 1.07 0.00 -0.28 0.00 0.63 0.00 0.00 28.75 30.17 1xl4 h GLU 29 CO 0.22 0.00 -0.74 0.21 -0.73 0.00 0.00 179.01 177.97 1xl4 s LYS 30 N -4.35 0.31 0.22 1.92 2.47 -1.26 -5.02 119.74 114.03 1xl4 s LYS 30 Ca -0.05 -0.15 0.00 0.00 -1.56 0.00 0.00 55.97 54.22 1xl4 s LYS 30 Cb 0.13 -0.30 0.00 0.00 -1.46 0.00 0.00 37.83 36.21 1xl4 s LYS 30 CO 0.45 0.08 0.00 0.54 0.16 0.00 0.00 175.35 176.59 1xl4 n ARG 31 N 2.96 -1.49 0.00 4.03 1.74 -1.26 -5.10 116.66 117.54 1xl4 n ARG 31 Ca -0.13 1.09 0.00 0.00 -0.77 0.00 0.00 57.85 58.04 1xl4 n ARG 31 Cb 0.59 -1.99 0.00 0.00 -1.02 0.00 0.00 32.46 30.04 1xl4 n ARG 31 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xl4 n GLY 32 N -2.91 0.97 3.80 -0.13 0.00 -1.25 -5.05 105.19 100.62 1xl4 n GLY 32 Ca -0.01 0.20 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 1xl4 n GLY 32 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xl4 s TRP 33 N 1.44 3.46 -1.47 1.61 0.51 -1.26 -4.09 118.94 119.15 1xl4 s TRP 33 Ca 0.00 0.39 0.00 0.00 -2.12 0.00 0.00 56.10 54.37 1xl4 s TRP 33 Cb 0.00 -1.98 0.00 0.00 -0.81 0.00 0.00 33.47 30.68 1xl4 s TRP 33 CO 0.00 0.55 0.00 -0.11 -0.51 0.00 0.00 176.95 176.88 1xl4 n LEU 34 N 2.48 -1.16 -1.60 2.99 7.94 -1.26 -4.78 117.00 121.62 1xl4 n LEU 34 Ca -0.19 0.30 -0.01 0.00 -1.11 0.00 0.00 56.01 55.00 1xl4 n LEU 34 Cb 0.54 -2.23 0.08 0.00 0.53 0.00 0.00 43.42 42.34 1xl4 n LEU 34 CO 0.32 -0.59 0.15 0.47 -1.11 0.00 0.00 177.39 176.64 1xl4 n ASP 35 N -1.03 1.93 -3.37 1.96 8.00 -1.26 -4.91 116.55 117.88 1xl4 n ASP 35 Ca -0.16 -2.82 0.00 0.00 0.71 0.00 0.00 54.79 52.53 1xl4 n ASP 35 Cb 0.53 -0.41 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 1xl4 n ASP 35 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1xl4 n ASP 36 N -0.37 -0.19 -1.40 -2.24 -0.08 -1.26 -3.82 116.55 107.19 1xl4 n ASP 36 Ca 0.16 -0.08 0.00 0.00 -1.51 0.00 0.00 54.79 53.36 1xl4 n ASP 36 Cb 0.92 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.38 1xl4 n ASP 36 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1xl4 n HIS 37 N -0.89 0.00 0.18 -0.67 1.44 -1.26 -4.04 115.22 109.97 1xl4 n HIS 37 Ca 0.00 -0.84 0.07 0.00 -2.01 0.00 0.00 57.72 54.94 1xl4 n HIS 37 Cb 0.00 -0.43 0.57 0.00 0.12 0.00 0.00 29.99 30.25 1xl4 n HIS 37 CO 0.00 0.00 0.00 -0.92 -2.81 0.00 0.00 176.34 172.61 1xl4 h TYR 38 N 0.91 0.16 -0.10 -1.40 3.20 -1.91 0.11 116.97 117.93 1xl4 h TYR 38 Ca 0.00 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.80 1xl4 h TYR 38 Cb 0.95 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.16 1xl4 h TYR 38 CO 0.19 0.10 -0.28 0.45 -1.64 0.00 0.00 178.16 176.98 1xl4 h HIS 39 N 0.17 0.20 -0.33 -3.82 -0.00 -1.93 -1.94 115.15 107.51 1xl4 h HIS 39 Ca 0.05 -0.04 -0.09 0.00 -0.00 0.00 0.00 60.37 60.29 1xl4 h HIS 39 Cb -0.02 -0.05 -0.02 0.00 -0.00 0.00 0.00 27.41 27.32 1xl4 h HIS 39 CO 0.00 0.45 -0.19 0.22 -0.00 0.00 0.00 177.93 178.42 1xl4 h ASP 40 N 0.17 0.60 1.00 2.45 1.82 -1.11 -0.94 116.42 120.41 1xl4 h ASP 40 Ca 0.03 -0.19 0.00 0.00 -0.39 0.00 0.00 57.03 56.48 1xl4 h ASP 40 Cb 0.58 -0.16 0.00 0.00 0.68 0.00 0.00 39.33 40.43 1xl4 h ASP 40 CO 0.04 0.80 0.00 -0.07 -1.61 0.00 0.00 179.24 178.40 1xl4 h LEU 41 N 0.54 0.00 0.03 2.28 3.38 -1.13 -0.45 115.31 119.96 1xl4 h LEU 41 Ca 0.09 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.74 1xl4 h LEU 41 Cb 0.62 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.33 1xl4 h LEU 41 CO 0.04 0.00 -1.80 0.18 0.09 0.00 0.00 178.44 176.95 1xl4 n LEU 42 N -2.67 1.28 -0.11 1.67 4.77 -0.73 -4.61 117.00 116.60 1xl4 n LEU 42 Ca 0.02 0.35 -0.24 0.00 -0.03 0.00 0.00 56.01 56.11 1xl4 n LEU 42 Cb 0.30 -0.13 -0.11 0.00 -2.33 0.00 0.00 43.42 41.14 1xl4 n LEU 42 CO 0.25 0.50 -1.00 0.41 -1.33 0.00 0.00 177.39 176.22 1xl4 n THR 43 N -3.14 1.56 -1.01 -5.08 -1.04 -0.43 -4.80 114.28 100.33 1xl4 n THR 43 Ca -0.21 -0.30 -0.36 0.00 -2.04 0.00 0.00 64.05 61.14 1xl4 n THR 43 Cb 1.05 -1.88 0.04 0.00 -1.82 0.00 0.00 70.33 67.73 1xl4 n THR 43 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1xl4 n VAL 44 N -4.12 0.03 -2.18 12.58 3.14 -0.19 -4.90 118.33 122.68 1xl4 n VAL 44 Ca -0.42 -0.47 -0.35 0.00 -2.96 0.00 0.00 64.34 60.14 1xl4 n VAL 44 Cb 0.84 -0.06 0.01 0.00 -1.06 0.00 0.00 33.84 33.57 1xl4 n VAL 44 CO 0.00 0.00 0.00 -0.94 -6.46 0.00 0.00 176.83 169.43 1xl4 s SER 45 N -1.08 5.64 0.18 6.55 1.04 -1.26 -4.78 113.70 119.99 1xl4 s SER 45 Ca 0.43 2.13 -0.17 0.00 0.48 0.00 0.00 55.95 58.83 1xl4 s SER 45 Cb -0.22 -2.57 0.13 0.00 0.10 0.00 0.00 66.02 63.45 1xl4 s SER 45 CO 0.80 -1.27 1.65 -0.50 0.98 0.00 0.00 173.24 174.90 1xl4 h TRP 46 N 1.01 -0.32 -0.68 5.02 4.06 -1.98 0.47 115.95 123.53 1xl4 h TRP 46 Ca -0.49 0.04 0.10 0.00 2.06 0.00 0.00 58.89 60.60 1xl4 h TRP 46 Cb 1.26 0.21 -0.07 0.00 -1.00 0.00 0.00 29.16 29.56 1xl4 h TRP 46 CO 0.52 -0.23 0.32 -1.35 -3.56 0.00 0.00 178.44 174.14 1xl4 h PRO 47 N -0.04 0.52 -0.24 0.49 0.11 -1.99 0.55 132.00 131.42 1xl4 h PRO 47 Ca 0.22 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.17 1xl4 h PRO 47 Cb 0.37 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 1xl4 h PRO 47 CO -0.48 0.35 -0.37 0.28 -0.21 0.00 0.00 178.00 177.57 1xl4 h VAL 48 N 0.54 1.29 -0.27 3.15 2.07 -1.63 -1.05 116.25 120.36 1xl4 h VAL 48 Ca 0.34 -1.50 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 1xl4 h VAL 48 Cb 0.39 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 1xl4 h VAL 48 CO -0.29 0.47 0.08 0.15 0.02 0.00 0.00 177.57 178.01 1xl4 h PHE 49 N 0.44 0.44 -0.17 1.57 3.57 0.19 -0.52 116.94 122.46 1xl4 h PHE 49 Ca 0.04 -0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 1xl4 h PHE 49 Cb 0.84 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 1xl4 h PHE 49 CO 0.03 0.47 -0.22 0.82 -2.23 0.00 0.00 178.31 177.18 1xl4 h ILE 50 N 0.27 1.24 -0.19 1.41 2.04 0.17 -1.58 117.51 120.87 1xl4 h ILE 50 Ca 0.09 -1.09 -0.17 0.00 1.00 0.00 0.00 64.86 64.69 1xl4 h ILE 50 Cb 0.24 1.36 -0.00 0.00 -0.74 0.00 0.00 36.82 37.67 1xl4 h ILE 50 CO -0.00 0.34 -0.58 0.74 0.00 0.00 0.00 178.15 178.65 1xl4 h THR 51 N 0.27 1.32 -0.38 -0.27 2.02 -0.91 0.62 112.91 115.58 1xl4 h THR 51 Ca 0.05 -1.83 -0.07 0.00 0.77 0.00 0.00 66.41 65.33 1xl4 h THR 51 Cb 0.55 1.79 -0.01 0.00 -1.74 0.00 0.00 68.15 68.74 1xl4 h THR 51 CO 0.04 0.57 -0.04 -0.07 0.37 0.00 0.00 175.52 176.39 1xl4 h LEU 52 N 0.46 0.70 -0.07 2.58 3.38 -0.75 0.78 115.31 122.38 1xl4 h LEU 52 Ca 0.00 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 1xl4 h LEU 52 Cb 1.14 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.70 1xl4 h LEU 52 CO 0.11 0.86 -0.00 0.40 0.09 0.00 0.00 178.44 179.90 1xl4 h ILE 53 N 0.52 1.26 -0.57 1.22 2.04 -1.22 0.13 117.51 120.89 1xl4 h ILE 53 Ca 0.10 -0.81 0.05 0.00 1.00 0.00 0.00 64.86 65.20 1xl4 h ILE 53 Cb 0.53 1.67 -0.05 0.00 -0.74 0.00 0.00 36.82 38.23 1xl4 h ILE 53 CO 0.03 0.22 0.30 0.74 0.00 0.00 0.00 178.15 179.44 1xl4 h THR 54 N -0.18 0.96 0.23 -0.27 2.02 -0.84 0.22 112.91 115.06 1xl4 h THR 54 Ca 0.02 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 1xl4 h THR 54 Cb 0.36 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1xl4 h THR 54 CO 0.00 0.10 -0.11 1.23 0.37 0.00 0.00 175.52 177.12 1xl4 h GLY 55 N 0.57 -0.32 1.77 2.16 0.00 -0.69 -0.58 103.07 105.98 1xl4 h GLY 55 Ca 0.25 0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.72 1xl4 h GLY 55 CO -0.16 -0.12 0.09 -2.00 0.00 0.00 0.00 176.54 174.35 1xl4 h LEU 56 N -0.38 0.00 -0.09 3.11 5.85 -0.28 -0.85 115.31 122.67 1xl4 h LEU 56 Ca -0.03 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.46 1xl4 h LEU 56 Cb 0.29 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.34 1xl4 h LEU 56 CO 0.05 0.00 -0.83 0.22 -0.34 0.00 0.00 178.44 177.54 1xl4 h TYR 57 N 0.00 1.02 -0.05 1.25 3.20 0.35 -3.05 116.97 119.69 1xl4 h TYR 57 Ca 0.04 -0.49 -0.05 0.00 3.14 0.00 0.00 58.73 61.37 1xl4 h TYR 57 Cb 0.22 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.35 1xl4 h TYR 57 CO 0.00 1.32 -0.17 -0.07 -1.64 0.00 0.00 178.16 177.59 1xl4 h LEU 58 N 0.43 0.24 -1.34 2.82 3.38 0.23 -3.02 115.31 118.04 1xl4 h LEU 58 Ca -0.08 -0.63 -0.03 0.00 0.09 0.00 0.00 57.88 57.24 1xl4 h LEU 58 Cb 1.47 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 42.13 1xl4 h LEU 58 CO 0.17 0.83 0.11 -0.37 0.09 0.00 0.00 178.44 179.27 1xl4 h VAL 59 N -0.33 1.17 -0.31 1.22 -1.51 -1.45 0.15 116.25 115.18 1xl4 h VAL 59 Ca -0.01 -0.57 -0.09 0.00 -1.23 0.00 0.00 66.70 64.80 1xl4 h VAL 59 Cb 0.81 0.76 -0.02 0.00 -2.13 0.00 0.00 31.29 30.71 1xl4 h VAL 59 CO 0.04 0.21 -0.20 0.74 -1.23 0.00 0.00 177.57 177.13 1xl4 h THR 60 N 0.55 1.26 0.00 7.19 2.02 -1.60 0.22 112.91 122.55 1xl4 h THR 60 Ca 0.13 -1.21 0.00 0.00 0.77 0.00 0.00 66.41 66.10 1xl4 h THR 60 Cb 0.18 1.23 0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1xl4 h THR 60 CO -0.01 0.39 0.00 0.78 0.37 0.00 0.00 175.52 177.06 1xl4 h ASN 61 N 0.52 0.00 0.20 4.18 2.35 -1.16 -2.19 115.58 119.48 1xl4 h ASN 61 Ca 0.08 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.53 1xl4 h ASN 61 Cb 0.63 0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.03 1xl4 h ASN 61 CO 0.04 0.00 -1.28 0.00 -1.65 0.00 0.00 177.43 174.55 1xl4 h ALA 62 N 2.24 -0.01 -0.10 -0.83 0.00 0.41 -2.17 119.26 118.81 1xl4 h ALA 62 Ca 0.00 -0.79 -0.02 0.00 0.00 0.00 0.00 54.91 54.09 1xl4 h ALA 62 Cb 0.85 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1xl4 h ALA 62 CO 0.00 0.72 -0.03 -0.07 0.00 0.00 0.00 179.25 179.87 1xl4 h LEU 63 N 0.24 0.21 -1.18 0.00 3.38 -0.48 -2.25 115.31 115.22 1xl4 h LEU 63 Ca -0.19 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.37 1xl4 h LEU 63 Cb 1.95 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 42.62 1xl4 h LEU 63 CO 0.24 0.54 0.26 -0.26 0.09 0.00 0.00 178.44 179.31 1xl4 h PHE 64 N -0.13 0.82 -0.41 1.13 -1.00 -1.49 -0.82 116.94 115.04 1xl4 h PHE 64 Ca 0.03 -0.03 0.04 0.00 2.81 0.00 0.00 57.97 60.81 1xl4 h PHE 64 Cb 0.46 -0.26 -0.04 0.00 3.61 0.00 0.00 35.95 39.72 1xl4 h PHE 64 CO 0.06 0.62 0.19 0.00 -1.61 0.00 0.00 178.31 177.57 1xl4 h ALA 65 N 1.46 0.51 0.16 2.45 0.00 -1.24 -1.40 119.26 121.20 1xl4 h ALA 65 Ca 0.20 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1xl4 h ALA 65 Cb 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1xl4 h ALA 65 CO -0.02 -0.17 -0.08 -0.07 0.00 0.00 0.00 179.25 178.91 1xl4 h LEU 66 N 0.39 -0.18 -1.48 0.00 3.38 -0.80 -2.64 115.31 113.98 1xl4 h LEU 66 Ca 0.18 -0.09 0.29 0.00 0.09 0.00 0.00 57.88 58.35 1xl4 h LEU 66 Cb 0.11 0.05 -0.09 0.00 0.09 0.00 0.00 40.66 40.82 1xl4 h LEU 66 CO -0.14 -0.02 0.71 0.00 0.09 0.00 0.00 178.44 179.08 1xl4 h ALA 67 N 0.48 2.42 -0.18 1.53 0.00 -0.74 0.73 119.26 123.50 1xl4 h ALA 67 Ca -0.02 0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 1xl4 h ALA 67 Cb 0.27 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1xl4 h ALA 67 CO 0.04 -0.83 -0.59 1.88 0.00 0.00 0.00 179.25 179.75 1xl4 h TYR 68 N 0.30 0.73 -0.02 0.00 0.99 -0.96 -2.93 116.97 115.09 1xl4 h TYR 68 Ca 0.60 -0.27 -0.12 0.00 2.00 0.00 0.00 58.73 60.94 1xl4 h TYR 68 Cb 1.70 -0.13 -0.02 0.00 1.00 0.00 0.00 36.73 39.28 1xl4 h TYR 68 CO -0.00 1.02 -0.55 -0.07 -0.00 0.00 0.00 178.16 178.56 1xl4 h LEU 69 N 0.44 0.07 0.00 3.88 3.38 0.60 -2.17 115.31 121.51 1xl4 h LEU 69 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1xl4 h LEU 69 Cb 1.14 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1xl4 h LEU 69 CO 0.11 0.61 0.00 0.00 0.09 0.00 0.00 178.44 179.25 1xl4 n ALA 70 N -2.44 2.18 -0.04 1.53 0.00 0.90 -0.69 120.51 121.95 1xl4 n ALA 70 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.41 1xl4 n ALA 70 Cb 0.56 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.97 1xl4 n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xl4 n GLY 72 N 0.13 0.81 2.82 0.00 0.00 0.13 -4.44 105.19 104.64 1xl4 n GLY 72 Ca 0.00 -1.24 -0.38 0.00 0.00 0.00 0.00 46.02 44.40 1xl4 n GLY 72 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xl4 n ASP 73 N 1.88 5.82 -0.96 1.61 8.00 -1.26 -4.41 116.55 127.23 1xl4 n ASP 73 Ca 0.00 -3.46 0.10 0.00 0.71 0.00 0.00 54.79 52.13 1xl4 n ASP 73 Cb 0.00 -1.09 0.26 0.00 -0.02 0.00 0.00 41.12 40.27 1xl4 n ASP 73 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1xl4 n VAL 74 N 1.01 0.60 -3.94 2.53 0.24 -1.26 -4.79 118.33 112.71 1xl4 n VAL 74 Ca 0.29 -0.67 -0.34 0.00 -2.04 0.00 0.00 64.34 61.58 1xl4 n VAL 74 Cb 0.34 0.48 -0.14 0.00 -1.47 0.00 0.00 33.84 33.06 1xl4 n VAL 74 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1xl4 s ILE 75 N -1.40 2.83 0.69 1.34 1.01 -1.26 0.18 121.20 124.60 1xl4 s ILE 75 Ca 0.36 -1.38 -0.17 0.00 0.00 0.00 0.00 60.65 59.47 1xl4 s ILE 75 Cb 0.19 -2.61 0.01 0.00 0.01 0.00 0.00 42.46 40.07 1xl4 s ILE 75 CO 0.26 -0.05 1.23 -0.62 0.00 0.00 0.00 174.94 175.76 1xl4 n GLU 76 N 4.60 0.82 -1.95 2.79 1.02 -0.86 -3.03 120.64 124.02 1xl4 n GLU 76 Ca -0.14 0.34 -0.16 0.00 -0.02 0.00 0.00 57.16 57.18 1xl4 n GLU 76 Cb 0.44 -2.47 -0.04 0.00 -0.02 0.00 0.00 31.44 29.35 1xl4 n GLU 76 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1xl4 n ASN 77 N -2.17 -4.53 -4.31 1.62 3.02 -1.26 -4.35 115.26 103.28 1xl4 n ASN 77 Ca 0.15 0.25 -0.32 0.00 -0.03 0.00 0.00 54.58 54.63 1xl4 n ASN 77 Cb 0.49 -3.95 -0.16 0.00 -0.61 0.00 0.00 39.78 35.55 1xl4 n ASN 77 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xl4 s ALA 78 N -2.59 2.34 -0.06 5.41 0.00 -1.17 -4.91 121.76 120.79 1xl4 s ALA 78 Ca 0.00 -0.99 -0.37 0.00 0.00 0.00 0.00 51.96 50.61 1xl4 s ALA 78 Cb 0.00 -0.87 -0.14 0.00 0.00 0.00 0.00 23.12 22.11 1xl4 s ALA 78 CO 0.00 0.37 1.66 0.54 0.00 0.00 0.00 175.76 178.33 1xl4 n ARG 79 N 3.11 1.63 -1.59 0.00 1.74 -1.26 -4.85 116.66 115.43 1xl4 n ARG 79 Ca -0.18 0.59 -0.40 0.00 -0.77 0.00 0.00 57.85 57.09 1xl4 n ARG 79 Cb 0.52 -2.33 0.02 0.00 -1.02 0.00 0.00 32.46 29.66 1xl4 n ARG 79 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1xl4 n PRO 80 N 4.71 1.16 -1.09 5.56 -0.02 -1.26 -1.98 135.00 142.08 1xl4 n PRO 80 Ca 0.22 0.42 -0.08 0.00 -2.02 0.00 0.00 63.50 62.04 1xl4 n PRO 80 Cb 0.22 -2.01 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 1xl4 n PRO 80 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xl4 n GLY 81 N 1.28 0.76 3.68 -1.23 0.00 -1.26 -4.91 105.19 103.50 1xl4 n GLY 81 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 1xl4 n GLY 81 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xl4 s SER 82 N -1.72 6.70 0.07 1.61 0.15 -0.84 -4.96 113.70 114.71 1xl4 s SER 82 Ca 0.00 0.84 -0.18 0.00 0.70 0.00 0.00 55.95 57.31 1xl4 s SER 82 Cb 0.00 -2.33 -0.11 0.00 -1.71 0.00 0.00 66.02 61.86 1xl4 s SER 82 CO 0.00 -0.19 1.39 0.15 1.20 0.00 0.00 173.24 175.79 1xl4 h PHE 83 N 7.26 0.59 -0.01 3.44 3.57 -1.91 -2.99 116.94 126.90 1xl4 h PHE 83 Ca -0.35 -0.17 0.00 0.00 3.53 0.00 0.00 57.97 60.99 1xl4 h PHE 83 Cb 1.16 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.77 1xl4 h PHE 83 CO 0.69 0.83 -0.03 1.15 -2.23 0.00 0.00 178.31 178.72 1xl4 h THR 84 N 0.19 0.00 -0.79 4.41 2.02 -1.97 0.83 112.91 117.60 1xl4 h THR 84 Ca 0.04 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.45 1xl4 h THR 84 Cb 0.71 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 1xl4 h THR 84 CO 0.05 0.00 0.60 0.44 0.37 0.00 0.00 175.52 176.98 1xl4 h ASP 85 N -0.02 0.00 0.69 4.18 5.19 -1.91 0.22 116.42 124.76 1xl4 h ASP 85 Ca 0.00 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.15 1xl4 h ASP 85 Cb 0.03 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.53 1xl4 h ASP 85 CO -0.02 0.00 -1.25 0.00 -3.12 0.00 0.00 179.24 174.84 1xl4 h ALA 86 N 1.53 0.22 -0.04 3.45 0.00 -1.02 -2.34 119.26 121.07 1xl4 h ALA 86 Ca 0.37 -0.96 -0.02 0.00 0.00 0.00 0.00 54.91 54.31 1xl4 h ALA 86 Cb 1.58 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 1xl4 h ALA 86 CO -0.00 1.10 -0.04 0.35 0.00 0.00 0.00 179.25 180.66 1xl4 h PHE 87 N 0.05 0.11 0.00 0.00 3.57 0.36 -2.40 116.94 118.64 1xl4 h PHE 87 Ca -0.13 -0.03 -0.06 0.00 3.53 0.00 0.00 57.97 61.28 1xl4 h PHE 87 Cb 1.93 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 40.64 1xl4 h PHE 87 CO 0.04 0.56 -0.28 0.74 -2.23 0.00 0.00 178.31 177.15 1xl4 h PHE 88 N -0.37 0.00 -0.26 0.41 0.05 -1.00 -0.49 116.94 115.28 1xl4 h PHE 88 Ca 0.01 0.00 -0.06 0.00 3.82 0.00 0.00 57.97 61.74 1xl4 h PHE 88 Cb 0.55 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.49 1xl4 h PHE 88 CO 0.10 0.28 -0.07 0.35 -0.18 0.00 0.00 178.31 178.79 1xl4 h PHE 89 N 0.00 0.58 0.53 -0.55 3.57 -1.36 -1.18 116.94 118.53 1xl4 h PHE 89 Ca -0.00 -0.13 -0.02 0.00 3.53 0.00 0.00 57.97 61.35 1xl4 h PHE 89 Cb 0.54 -0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 1xl4 h PHE 89 CO 0.00 0.73 -0.42 1.03 -2.23 0.00 0.00 178.31 177.42 1xl4 h SER 90 N 0.26 -1.12 -1.03 0.41 0.87 -0.91 -1.28 113.55 110.75 1xl4 h SER 90 Ca 0.07 0.08 0.26 0.00 -1.23 0.00 0.00 61.79 60.97 1xl4 h SER 90 Cb 0.55 0.36 -0.11 0.00 -0.44 0.00 0.00 62.40 62.75 1xl4 h SER 90 CO 0.03 -0.61 0.64 0.58 -0.53 0.00 0.00 176.83 176.94 1xl4 h VAL 91 N -0.94 0.51 0.00 2.23 2.07 -1.05 0.61 116.25 119.68 1xl4 h VAL 91 Ca -0.06 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.30 1xl4 h VAL 91 Cb 0.80 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1xl4 h VAL 91 CO -0.00 0.08 0.00 0.00 0.02 0.00 0.00 177.57 177.67 1xl4 n GLN 92 N -4.76 0.21 -0.11 1.57 6.02 -0.45 -2.23 117.38 117.63 1xl4 n GLN 92 Ca 0.27 0.22 -0.19 0.00 -0.01 0.00 0.00 57.00 57.28 1xl4 n GLN 92 Cb 0.84 -1.76 -0.08 0.00 1.02 0.00 0.00 30.24 30.26 1xl4 n GLN 92 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 1xl4 n THR 93 N -2.12 1.51 -0.04 5.09 -1.04 0.18 -0.18 114.28 117.67 1xl4 n THR 93 Ca 0.05 -0.05 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 1xl4 n THR 93 Cb 0.38 -2.10 -0.03 0.00 -1.82 0.00 0.00 70.33 66.76 1xl4 n THR 93 CO 0.00 0.00 0.00 -0.03 -0.64 0.00 0.00 175.07 174.40 1xl4 h MET 94 N -1.00 0.16 0.00 -2.82 1.85 -0.65 0.56 114.93 113.03 1xl4 h MET 94 Ca -0.34 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 58.74 1xl4 h MET 94 Cb 1.20 -0.04 0.00 0.00 0.43 0.00 0.00 31.60 33.19 1xl4 h MET 94 CO -0.20 0.10 0.00 0.00 -0.40 0.00 0.00 176.91 176.41 1xl4 n ALA 95 N -2.23 2.00 -2.13 0.39 0.00 -0.95 -4.56 120.51 113.03 1xl4 n ALA 95 Ca -0.03 -0.09 -0.18 0.00 0.00 0.00 0.00 53.44 53.15 1xl4 n ALA 95 Cb 0.07 -1.32 -0.03 0.00 0.00 0.00 0.00 19.45 18.18 1xl4 n ALA 95 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1xl4 n THR 96 N -1.33 -0.63 -0.11 0.00 -2.24 0.19 -4.90 114.28 105.27 1xl4 n THR 96 Ca 0.08 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.72 1xl4 n THR 96 Cb 0.17 -2.39 -0.03 0.00 -2.10 0.00 0.00 70.33 65.98 1xl4 n THR 96 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 1xl4 h ILE 97 N 0.00 1.27 -6.75 2.28 2.04 -1.53 -3.48 117.51 111.34 1xl4 h ILE 97 Ca -0.41 -1.62 -0.55 0.00 1.00 0.00 0.00 64.86 63.28 1xl4 h ILE 97 Cb 1.27 1.46 0.01 0.00 -0.74 0.00 0.00 36.82 38.82 1xl4 h ILE 97 CO 0.50 0.54 -1.00 0.61 0.00 0.00 0.00 178.15 178.81 1xl4 n GLY 98 N 0.22 -0.91 0.46 5.37 0.00 0.74 -4.89 105.19 106.18 1xl4 n GLY 98 Ca -0.03 0.38 -0.15 0.00 0.00 0.00 0.00 46.02 46.22 1xl4 n GLY 98 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1xl4 h TYR 99 N -2.29 -1.55 0.00 1.61 0.99 -1.93 -3.47 116.97 110.33 1xl4 h TYR 99 Ca -0.69 0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.09 1xl4 h TYR 99 Cb 1.39 0.69 0.00 0.00 1.00 0.00 0.00 36.73 39.81 1xl4 h TYR 99 CO 0.35 -0.55 0.00 0.41 -0.00 0.00 0.00 178.16 178.37 1xl4 n GLY 100 N -1.44 1.12 0.11 3.88 0.00 -1.26 -4.98 105.19 102.61 1xl4 n GLY 100 Ca -0.06 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.80 1xl4 n GLY 100 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1xl4 h LYS 101 N 0.00 0.23 -0.67 1.61 3.64 -1.95 -3.34 116.57 116.10 1xl4 h LYS 101 Ca 0.00 -0.40 0.00 0.00 -1.27 0.00 0.00 60.65 58.98 1xl4 h LYS 101 Cb 0.00 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1xl4 h LYS 101 CO 0.00 1.12 0.00 1.28 -2.27 0.00 0.00 179.45 179.58 1xl4 n LEU 102 N -3.46 4.55 -2.55 5.20 4.77 -1.26 -4.38 117.00 119.87 1xl4 n LEU 102 Ca -0.13 -2.31 -0.23 0.00 -0.03 0.00 0.00 56.01 53.31 1xl4 n LEU 102 Cb 1.03 -0.62 0.03 0.00 -2.33 0.00 0.00 43.42 41.52 1xl4 n LEU 102 CO 0.51 0.56 -0.90 2.30 -1.33 0.00 0.00 177.39 178.54 1xl4 n ILE 103 N 0.54 0.00 -2.11 -0.08 -5.35 -1.26 -4.23 119.36 106.87 1xl4 n ILE 103 Ca 0.21 -0.29 -0.27 0.00 -0.27 0.00 0.00 62.75 62.13 1xl4 n ILE 103 Cb 0.95 0.00 0.07 0.00 -1.74 0.00 0.00 39.64 38.91 1xl4 n ILE 103 CO 0.00 0.00 0.00 -2.84 -1.76 0.00 0.00 176.55 171.95 1xl4 s PRO 104 N -1.28 2.31 -0.11 6.28 0.02 -1.26 -2.04 135.00 138.93 1xl4 s PRO 104 Ca 0.25 -0.04 -0.04 0.00 0.02 0.00 0.00 61.00 61.19 1xl4 s PRO 104 Cb -0.10 -2.11 0.06 0.00 0.02 0.00 0.00 34.50 32.37 1xl4 s PRO 104 CO 0.52 -1.24 0.23 0.42 -0.33 0.00 0.00 177.00 176.61 1xl4 s ILE 105 N -3.31 -0.32 0.20 2.83 -1.09 0.13 -4.70 121.20 114.94 1xl4 s ILE 105 Ca 0.59 0.28 0.00 0.00 -2.23 0.00 0.00 60.65 59.30 1xl4 s ILE 105 Cb -0.11 -0.39 0.00 0.00 -1.58 0.00 0.00 42.46 40.38 1xl4 s ILE 105 CO 0.47 0.12 0.00 0.61 -1.23 0.00 0.00 174.94 174.90 1xl4 n GLY 106 N 5.17 -3.44 0.20 6.18 0.00 -1.26 -3.91 105.19 108.12 1xl4 n GLY 106 Ca -0.09 -1.06 0.19 0.00 0.00 0.00 0.00 46.02 45.06 1xl4 n GLY 106 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1xl4 n PRO 107 N -1.33 -0.03 0.30 1.61 -0.02 -1.26 -0.81 135.00 133.46 1xl4 n PRO 107 Ca 0.00 0.69 -0.17 0.00 -2.02 0.00 0.00 63.50 62.01 1xl4 n PRO 107 Cb 0.07 -1.30 -0.08 0.00 -0.02 0.00 0.00 33.50 32.17 1xl4 n PRO 107 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1xl4 h LEU 108 N 0.00 -0.66 -0.41 2.45 3.38 -2.00 -1.62 115.31 116.46 1xl4 h LEU 108 Ca 0.45 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.38 1xl4 h LEU 108 Cb 1.31 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 1xl4 h LEU 108 CO -0.33 -0.45 0.00 0.00 0.09 0.00 0.00 178.44 177.75 1xl4 h ALA 109 N -0.28 0.55 0.00 1.53 0.00 -1.09 -2.59 119.26 117.39 1xl4 h ALA 109 Ca -0.07 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1xl4 h ALA 109 Cb 0.58 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1xl4 h ALA 109 CO 0.11 0.33 0.00 -0.91 0.00 0.00 0.00 179.25 178.78 1xl4 h ASN 110 N 0.56 0.00 0.32 0.00 2.35 -1.50 -0.78 115.58 116.53 1xl4 h ASN 110 Ca 0.12 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.54 1xl4 h ASN 110 Cb 0.47 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.81 1xl4 h ASN 110 CO 0.02 0.00 -1.86 0.41 -1.65 0.00 0.00 177.43 174.35 1xl4 n THR 111 N -2.67 1.67 0.13 2.81 -1.04 -0.61 -2.86 114.28 111.71 1xl4 n THR 111 Ca -0.00 -0.74 -0.02 0.00 -2.04 0.00 0.00 64.05 61.26 1xl4 n THR 111 Cb 0.18 -1.31 0.20 0.00 -1.82 0.00 0.00 70.33 67.58 1xl4 n THR 111 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 1xl4 h LEU 112 N 0.03 0.11 -0.33 -4.42 4.07 -1.06 -1.95 115.31 111.75 1xl4 h LEU 112 Ca -0.35 -0.06 -0.08 0.00 0.08 0.00 0.00 57.88 57.47 1xl4 h LEU 112 Cb 2.03 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 43.73 1xl4 h LEU 112 CO 0.08 0.62 -0.12 0.58 -1.08 0.00 0.00 178.44 178.52 1xl4 h VAL 113 N 0.08 1.28 -0.88 1.22 2.07 -1.25 0.28 116.25 119.05 1xl4 h VAL 113 Ca -0.00 -1.21 -0.01 0.00 0.82 0.00 0.00 66.70 66.30 1xl4 h VAL 113 Cb 0.97 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 32.06 1xl4 h VAL 113 CO 0.07 0.39 0.50 0.74 0.02 0.00 0.00 177.57 179.30 1xl4 h THR 114 N 0.45 1.25 0.11 2.57 2.02 -1.36 0.17 112.91 118.11 1xl4 h THR 114 Ca 0.08 -0.58 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 1xl4 h THR 114 Cb 0.64 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 1xl4 h THR 114 CO 0.04 0.27 -0.05 0.25 0.37 0.00 0.00 175.52 176.40 1xl4 h LEU 115 N 1.22 -0.13 -2.09 2.58 5.85 -1.12 -2.74 115.31 118.88 1xl4 h LEU 115 Ca 0.31 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 1xl4 h LEU 115 Cb -0.01 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 1xl4 h LEU 115 CO -0.05 0.18 -0.08 -0.08 -0.34 0.00 0.00 178.44 178.07 1xl4 h GLU 116 N -0.45 0.00 -0.13 1.25 4.81 -0.18 -1.63 114.58 118.25 1xl4 h GLU 116 Ca -0.02 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.15 1xl4 h GLU 116 Cb 0.37 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 1xl4 h GLU 116 CO 0.03 0.08 -0.16 0.00 -0.73 0.00 0.00 179.01 178.22 1xl4 h ALA 117 N 1.92 0.20 -0.34 2.92 0.00 -0.50 -2.43 119.26 121.03 1xl4 h ALA 117 Ca -0.00 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1xl4 h ALA 117 Cb 0.26 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1xl4 h ALA 117 CO 0.01 0.09 0.21 1.25 0.00 0.00 0.00 179.25 180.82 1xl4 h LEU 118 N -0.05 0.40 0.07 0.00 5.85 -1.08 -2.74 115.31 117.77 1xl4 h LEU 118 Ca 0.02 -0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.72 1xl4 h LEU 118 Cb 0.70 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 1xl4 h LEU 118 CO 0.04 0.33 -0.21 0.00 -0.34 0.00 0.00 178.44 178.25 1xl4 h GLY 120 N -0.38 0.89 0.73 0.00 0.00 -1.37 1.00 103.07 103.93 1xl4 h GLY 120 Ca 0.04 -0.23 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 1xl4 h GLY 120 CO -0.14 0.09 -0.10 1.98 0.00 0.00 0.00 176.54 178.36 1xl4 h MET 121 N 0.54 0.31 -0.50 4.80 -1.53 -1.03 -1.35 114.93 116.18 1xl4 h MET 121 Ca 0.38 -0.15 -0.07 0.00 -3.44 0.00 0.00 59.70 56.42 1xl4 h MET 121 Cb 0.72 -0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.75 1xl4 h MET 121 CO -0.14 0.68 0.04 -0.07 0.14 0.00 0.00 176.91 177.56 1xl4 h LEU 122 N -0.06 0.82 -0.48 3.39 3.38 0.37 -0.70 115.31 122.03 1xl4 h LEU 122 Ca 0.03 -0.28 0.05 0.00 0.09 0.00 0.00 57.88 57.77 1xl4 h LEU 122 Cb 0.60 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.09 1xl4 h LEU 122 CO 0.03 0.90 0.20 1.23 0.09 0.00 0.00 178.44 180.89 1xl4 h GLY 123 N 0.71 0.65 0.89 0.83 0.00 0.10 0.39 103.07 106.64 1xl4 h GLY 123 Ca 0.15 -0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 1xl4 h GLY 123 CO 0.02 0.05 0.08 -2.00 0.00 0.00 0.00 176.54 174.70 1xl4 h LEU 124 N 0.40 0.39 -0.42 3.11 5.85 -1.08 0.34 115.31 123.89 1xl4 h LEU 124 Ca 0.22 -0.20 0.06 0.00 0.84 0.00 0.00 57.88 58.80 1xl4 h LEU 124 Cb 0.19 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.06 1xl4 h LEU 124 CO -0.19 0.49 0.09 0.00 -0.34 0.00 0.00 178.44 178.49 1xl4 h ALA 125 N 0.92 0.46 0.39 1.25 0.00 -0.35 0.99 119.26 122.92 1xl4 h ALA 125 Ca 0.09 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 1xl4 h ALA 125 Cb 0.24 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1xl4 h ALA 125 CO -0.00 -0.31 -0.19 0.28 0.00 0.00 0.00 179.25 179.03 1xl4 h VAL 126 N 0.23 0.58 -0.63 0.00 2.07 0.04 -1.54 116.25 117.01 1xl4 h VAL 126 Ca 0.20 -0.41 0.18 0.00 0.82 0.00 0.00 66.70 67.49 1xl4 h VAL 126 Cb 0.24 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1xl4 h VAL 126 CO -0.26 0.07 0.45 0.00 0.02 0.00 0.00 177.57 177.86 1xl4 h ALA 127 N -0.29 2.57 0.08 1.67 0.00 -0.07 0.22 119.26 123.45 1xl4 h ALA 127 Ca -0.05 -0.02 -0.26 0.00 0.00 0.00 0.00 54.91 54.57 1xl4 h ALA 127 Cb 0.53 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.37 1xl4 h ALA 127 CO 0.09 -0.75 -1.13 0.00 0.00 0.00 0.00 179.25 177.45 1xl4 h ALA 128 N 1.69 0.18 0.51 0.00 0.00 -0.64 -2.53 119.26 118.46 1xl4 h ALA 128 Ca 0.30 -0.79 -0.02 0.00 0.00 0.00 0.00 54.91 54.39 1xl4 h ALA 128 Cb 1.18 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1xl4 h ALA 128 CO -0.01 0.85 -0.24 0.77 0.00 0.00 0.00 179.25 180.62 1xl4 h SER 129 N 0.17 -0.58 -0.89 0.00 0.02 0.40 -1.19 113.55 111.49 1xl4 h SER 129 Ca -0.13 0.02 0.06 0.00 -0.84 0.00 0.00 61.79 60.90 1xl4 h SER 129 Cb 1.81 0.15 -0.06 0.00 0.14 0.00 0.00 62.40 64.44 1xl4 h SER 129 CO 0.20 -0.41 0.56 -0.07 -1.14 0.00 0.00 176.83 175.96 1xl4 h LEU 130 N -0.69 0.87 -0.31 5.07 3.38 -1.12 -0.40 115.31 122.12 1xl4 h LEU 130 Ca -0.07 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1xl4 h LEU 130 Cb 0.52 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1xl4 h LEU 130 CO 0.11 0.56 0.04 0.40 0.09 0.00 0.00 178.44 179.64 1xl4 h ILE 131 N 1.01 1.24 -0.09 1.22 2.04 -1.26 -0.39 117.51 121.28 1xl4 h ILE 131 Ca 0.39 -0.85 -0.08 0.00 1.00 0.00 0.00 64.86 65.32 1xl4 h ILE 131 Cb 0.18 1.20 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 1xl4 h ILE 131 CO -0.18 0.28 -0.31 0.22 0.00 0.00 0.00 178.15 178.16 1xl4 h TYR 132 N 0.33 0.19 0.66 1.37 3.20 -0.92 -2.03 116.97 119.76 1xl4 h TYR 132 Ca 0.09 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.89 1xl4 h TYR 132 Cb 0.37 -0.05 0.01 0.00 1.54 0.00 0.00 36.73 38.60 1xl4 h TYR 132 CO 0.03 0.47 -0.32 0.00 -1.64 0.00 0.00 178.16 176.70 1xl4 h ALA 133 N 1.54 -0.88 -0.81 1.82 0.00 -0.78 -2.18 119.26 117.97 1xl4 h ALA 133 Ca 0.02 -0.21 0.23 0.00 0.00 0.00 0.00 54.91 54.95 1xl4 h ALA 133 Cb 0.63 0.34 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 1xl4 h ALA 133 CO 0.05 -0.87 0.61 0.00 0.00 0.00 0.00 179.25 179.04 1xl4 h ARG 134 N -1.14 0.00 0.00 0.00 3.08 -0.99 0.97 114.38 116.30 1xl4 h ARG 134 Ca -0.09 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 59.85 1xl4 h ARG 134 Cb 0.71 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 1xl4 h ARG 134 CO 0.15 0.00 -0.52 0.74 -1.07 0.00 0.00 179.97 179.26 1xl4 h PHE 135 N 0.00 0.00 -0.67 3.04 0.04 -1.04 -3.26 116.94 115.05 1xl4 h PHE 135 Ca 0.38 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 61.01 1xl4 h PHE 135 Cb 1.60 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 39.67 1xl4 h PHE 135 CO 0.00 0.52 0.17 0.25 -0.60 0.00 0.00 178.31 178.66 1xl4 n THR 136 N -3.69 2.87 -2.95 -1.55 -2.24 0.33 -4.43 114.28 102.62 1xl4 n THR 136 Ca -0.01 -1.60 -0.21 0.00 -2.27 0.00 0.00 64.05 59.97 1xl4 n THR 136 Cb 0.58 -0.33 -0.02 0.00 -2.10 0.00 0.00 70.33 68.45 1xl4 n THR 136 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1xl4 n ARG 137 N 0.07 2.07 -1.43 -0.78 1.85 -1.12 -5.05 116.66 112.27 1xl4 n ARG 137 Ca 0.36 -4.02 -0.32 0.00 -1.00 0.00 0.00 57.85 52.88 1xl4 n ARG 137 Cb 1.31 -1.90 0.08 0.00 -1.05 0.00 0.00 32.46 30.91 1xl4 n ARG 137 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 1xl4 s PRO 138 N -3.02 2.39 0.29 2.89 0.02 -1.26 -5.04 135.00 131.28 1xl4 s PRO 138 Ca 0.42 1.31 -0.18 0.00 0.02 0.00 0.00 61.00 62.57 1xl4 s PRO 138 Cb 0.35 -1.91 -0.09 0.00 0.02 0.00 0.00 34.50 32.87 1xl4 s PRO 138 CO -0.10 -1.55 0.76 0.95 -0.33 0.00 0.00 177.00 176.73 1xl4 s THR 139 N -2.62 4.58 0.45 0.99 -4.23 -1.26 -4.83 115.64 108.71 1xl4 s THR 139 Ca 0.64 1.18 0.11 0.00 -1.18 0.00 0.00 61.69 62.44 1xl4 s THR 139 Cb -0.19 -3.73 0.29 0.00 1.34 0.00 0.00 72.50 70.21 1xl4 s THR 139 CO 0.50 -0.03 2.06 0.00 -0.54 0.00 0.00 174.62 176.61 1xl4 h ALA 140 N 2.72 1.88 -4.76 3.99 0.00 -1.95 -3.47 119.26 117.67 1xl4 h ALA 140 Ca -0.48 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.14 1xl4 h ALA 140 Cb 1.18 -0.10 0.12 0.00 0.00 0.00 0.00 17.79 18.99 1xl4 h ALA 140 CO 0.65 0.08 -0.57 0.41 0.00 0.00 0.00 179.25 179.82 1xl4 n GLY 141 N -1.51 -0.18 3.21 0.00 0.00 -1.26 -4.89 105.19 100.56 1xl4 n GLY 141 Ca 0.04 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 1xl4 n GLY 141 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xl4 s VAL 142 N -3.27 2.02 -0.17 1.61 1.01 -1.26 -1.63 120.40 118.71 1xl4 s VAL 142 Ca 0.14 -0.99 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 1xl4 s VAL 142 Cb -0.06 -1.75 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 1xl4 s VAL 142 CO 0.56 0.55 0.18 -0.22 0.00 0.00 0.00 175.10 176.17 1xl4 s LEU 143 N 0.37 4.25 -0.12 3.92 2.96 -0.15 -4.93 118.68 124.98 1xl4 s LEU 143 Ca -0.18 0.36 -0.04 0.00 -0.22 0.00 0.00 54.13 54.04 1xl4 s LEU 143 Cb -0.18 -2.17 -0.04 0.00 0.50 0.00 0.00 46.19 44.30 1xl4 s LEU 143 CO 0.08 0.19 0.04 -0.36 -1.32 0.00 0.00 176.35 174.99 1xl4 s PHE 144 N 0.16 3.26 0.53 5.38 0.40 -1.26 -1.39 117.98 125.06 1xl4 s PHE 144 Ca 0.12 0.20 -0.22 0.00 -0.60 0.00 0.00 56.93 56.43 1xl4 s PHE 144 Cb -0.12 -1.90 -0.06 0.00 0.51 0.00 0.00 43.02 41.45 1xl4 s PHE 144 CO 0.01 0.41 1.24 -1.13 0.70 0.00 0.00 175.22 176.46 1xl4 n SER 145 N 2.55 2.20 0.07 1.36 3.41 -0.60 -4.85 113.62 117.75 1xl4 n SER 145 Ca -0.18 0.97 0.10 0.00 -0.26 0.00 0.00 58.87 59.50 1xl4 n SER 145 Cb 0.53 -1.51 0.43 0.00 -0.26 0.00 0.00 64.21 63.40 1xl4 n SER 145 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1xl4 n SER 146 N -0.65 0.39 -3.97 4.04 3.41 -1.26 -4.83 113.62 110.75 1xl4 n SER 146 Ca 0.10 0.58 -0.12 0.00 -0.26 0.00 0.00 58.87 59.17 1xl4 n SER 146 Cb 0.44 -0.67 -0.08 0.00 -0.26 0.00 0.00 64.21 63.64 1xl4 n SER 146 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1xl4 s ARG 147 N -3.15 1.42 0.35 4.33 1.81 -1.26 -4.99 118.95 117.45 1xl4 s ARG 147 Ca 0.07 -1.58 0.09 0.00 -1.72 0.00 0.00 55.73 52.59 1xl4 s ARG 147 Cb 0.11 0.35 -0.06 0.00 -0.45 0.00 0.00 34.95 34.89 1xl4 s ARG 147 CO 0.38 -0.52 -0.03 -1.64 -0.68 0.00 0.00 175.30 172.81 1xl4 s MET 148 N -3.94 1.97 0.07 3.54 -1.94 -0.10 -4.72 119.30 114.17 1xl4 s MET 148 Ca 0.34 -1.84 0.00 0.00 -1.71 0.00 0.00 55.69 52.48 1xl4 s MET 148 Cb 0.04 -1.83 -0.04 0.00 2.01 0.00 0.00 34.83 35.01 1xl4 s MET 148 CO 0.13 0.13 -0.05 0.14 -0.01 0.00 0.00 175.02 175.37 1xl4 s VAL 149 N -2.56 0.41 -0.26 -6.03 -7.23 -0.33 -0.31 120.40 104.09 1xl4 s VAL 149 Ca 0.34 -1.76 -0.02 0.00 -1.81 0.00 0.00 61.98 58.73 1xl4 s VAL 149 Cb 0.01 -1.45 0.08 0.00 0.56 0.00 0.00 36.38 35.59 1xl4 s VAL 149 CO 0.18 -0.89 0.06 -0.63 -0.31 0.00 0.00 175.10 173.52 1xl4 s ILE 150 N -3.51 0.71 0.16 -0.62 1.01 -1.01 -0.57 121.20 117.37 1xl4 s ILE 150 Ca 0.06 -1.00 -0.09 0.00 0.00 0.00 0.00 60.65 59.62 1xl4 s ILE 150 Cb 0.05 -1.37 -0.01 0.00 0.01 0.00 0.00 42.46 41.14 1xl4 s ILE 150 CO -0.07 -0.45 0.27 -0.94 0.00 0.00 0.00 174.94 173.75 1xl4 s SER 151 N 1.73 0.05 0.20 3.58 1.04 -0.73 -0.80 113.70 118.77 1xl4 s SER 151 Ca 0.04 -0.86 -0.31 0.00 0.48 0.00 0.00 55.95 55.31 1xl4 s SER 151 Cb -0.17 0.43 -0.09 0.00 0.10 0.00 0.00 66.02 66.28 1xl4 s SER 151 CO -0.18 -0.88 1.42 -1.81 0.98 0.00 0.00 173.24 172.77 1xl4 s ASP 152 N -2.96 6.74 -0.03 7.02 -0.00 -1.26 -0.75 116.67 125.42 1xl4 s ASP 152 Ca 0.16 2.52 -0.01 0.00 -0.00 0.00 0.00 52.55 55.23 1xl4 s ASP 152 Cb 0.03 -2.61 0.03 0.00 -0.00 0.00 0.00 42.92 40.38 1xl4 s ASP 152 CO -0.01 -0.67 0.06 0.12 -0.00 0.00 0.00 175.17 174.68 1xl4 s PHE 153 N 0.43 -0.03 -1.36 4.23 5.36 0.13 -4.84 117.98 121.90 1xl4 s PHE 153 Ca 0.61 0.24 -0.11 0.00 -0.96 0.00 0.00 56.93 56.71 1xl4 s PHE 153 Cb -0.40 -0.20 0.08 0.00 -0.34 0.00 0.00 43.02 42.17 1xl4 s PHE 153 CO 0.37 -0.11 0.57 0.39 -1.46 0.00 0.00 175.22 174.98 1xl4 n GLU 154 N 4.22 -3.57 -0.74 10.12 -0.58 -1.26 -1.56 120.64 127.26 1xl4 n GLU 154 Ca -0.27 0.48 0.00 0.00 -0.42 0.00 0.00 57.16 56.95 1xl4 n GLU 154 Cb 0.50 -5.21 0.00 0.00 -0.57 0.00 0.00 31.44 26.16 1xl4 n GLU 154 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xl4 n GLY 155 N -1.25 0.92 3.24 0.62 0.00 -1.26 -5.04 105.19 102.42 1xl4 n GLY 155 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 1xl4 n GLY 155 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xl4 s LYS 156 N -0.23 1.02 0.24 1.61 1.02 -0.60 -5.07 119.74 117.73 1xl4 s LYS 156 Ca 0.00 -1.17 -0.30 0.00 0.02 0.00 0.00 55.97 54.53 1xl4 s LYS 156 Cb 0.00 -1.04 -0.09 0.00 -0.52 0.00 0.00 37.83 36.17 1xl4 s LYS 156 CO 0.00 0.22 1.32 -2.14 -0.92 0.00 0.00 175.35 173.84 1xl4 s PRO 157 N -2.26 4.37 -0.01 -1.68 0.02 -1.26 -0.70 135.00 133.48 1xl4 s PRO 157 Ca 0.06 2.13 0.01 0.00 0.02 0.00 0.00 61.00 63.22 1xl4 s PRO 157 Cb -0.08 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.30 1xl4 s PRO 157 CO 0.03 -0.25 -0.05 0.99 -0.33 0.00 0.00 177.00 177.40 1xl4 s THR 158 N -0.26 0.42 -0.07 0.99 2.01 0.07 -1.34 115.64 117.46 1xl4 s THR 158 Ca 0.55 -0.18 -0.22 0.00 0.31 0.00 0.00 61.69 62.15 1xl4 s THR 158 Cb -0.38 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 71.71 1xl4 s THR 158 CO 0.43 0.14 0.63 -0.22 -0.69 0.00 0.00 174.62 174.91 1xl4 s LEU 159 N 0.14 4.32 0.15 4.42 2.96 -0.41 -1.77 118.68 128.48 1xl4 s LEU 159 Ca -0.01 1.10 -0.03 0.00 -0.22 0.00 0.00 54.13 54.97 1xl4 s LEU 159 Cb -0.05 -2.97 -0.03 0.00 0.50 0.00 0.00 46.19 43.64 1xl4 s LEU 159 CO -0.00 -0.05 0.12 -0.04 -1.32 0.00 0.00 176.35 175.06 1xl4 s MET 160 N 0.59 1.01 0.14 1.98 -1.94 0.27 0.36 119.30 121.71 1xl4 s MET 160 Ca 0.34 -1.39 -0.25 0.00 -1.71 0.00 0.00 55.69 52.67 1xl4 s MET 160 Cb -0.17 0.28 0.07 0.00 2.01 0.00 0.00 34.83 37.02 1xl4 s MET 160 CO 0.16 -0.32 1.02 0.00 -0.01 0.00 0.00 175.02 175.88 1xl4 s MET 161 N -4.04 1.10 0.08 2.03 0.23 -1.02 -1.18 119.30 116.51 1xl4 s MET 161 Ca 0.24 -0.63 -0.08 0.00 -1.03 0.00 0.00 55.69 54.19 1xl4 s MET 161 Cb 0.06 0.36 -0.01 0.00 -1.53 0.00 0.00 34.83 33.72 1xl4 s MET 161 CO 0.02 -0.51 0.16 -0.98 -2.03 0.00 0.00 175.02 171.69 1xl4 s ARG 162 N -2.94 0.82 0.10 3.16 1.70 -1.26 -1.10 118.95 119.43 1xl4 s ARG 162 Ca 0.14 -0.99 0.08 0.00 -0.47 0.00 0.00 55.73 54.49 1xl4 s ARG 162 Cb -0.01 0.33 -0.03 0.00 -0.57 0.00 0.00 34.95 34.66 1xl4 s ARG 162 CO 0.02 -0.25 -0.20 -0.51 -1.08 0.00 0.00 175.30 173.28 1xl4 s LEU 163 N -2.87 2.31 -0.01 -1.89 1.43 -0.10 -1.56 118.68 116.00 1xl4 s LEU 163 Ca 0.05 -0.70 0.02 0.00 -1.03 0.00 0.00 54.13 52.48 1xl4 s LEU 163 Cb 0.05 -0.83 -0.00 0.00 0.03 0.00 0.00 46.19 45.43 1xl4 s LEU 163 CO -0.11 0.03 -0.07 0.00 0.23 0.00 0.00 176.35 176.43 1xl4 s ALA 164 N -1.27 0.61 -0.38 4.21 0.00 -0.48 -0.56 121.76 123.89 1xl4 s ALA 164 Ca 0.06 -0.30 -0.24 0.00 0.00 0.00 0.00 51.96 51.49 1xl4 s ALA 164 Cb -0.10 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 22.87 1xl4 s ALA 164 CO 0.04 0.14 0.82 1.21 0.00 0.00 0.00 175.76 177.97 1xl4 s ASN 165 N -0.11 6.55 0.00 0.00 3.84 0.73 -0.98 114.94 124.97 1xl4 s ASN 165 Ca 0.02 0.31 0.25 0.00 0.21 0.00 0.00 52.86 53.65 1xl4 s ASN 165 Cb -0.03 -2.41 1.43 0.00 -0.55 0.00 0.00 41.25 39.69 1xl4 s ASN 165 CO -0.00 -0.81 1.93 0.18 -2.79 0.00 0.00 177.10 175.61 1xl4 n LEU 166 N 6.58 0.11 -4.50 3.21 4.77 -0.65 -4.81 117.00 121.72 1xl4 n LEU 166 Ca 0.04 -0.04 -0.24 0.00 -0.03 0.00 0.00 56.01 55.74 1xl4 n LEU 166 Cb 0.48 -0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.46 1xl4 n LEU 166 CO 0.56 0.02 -0.36 -0.13 -1.33 0.00 0.00 177.39 176.15 1xl4 s ARG 167 N -1.99 1.72 0.13 3.23 0.52 -1.26 -5.03 118.95 116.26 1xl4 s ARG 167 Ca 0.37 -1.90 0.12 0.00 -0.52 0.00 0.00 55.73 53.80 1xl4 s ARG 167 Cb 0.17 -1.41 -0.12 0.00 0.52 0.00 0.00 34.95 34.11 1xl4 s ARG 167 CO 0.29 0.05 1.16 0.82 0.02 0.00 0.00 175.30 177.63 1xl4 h ILE 168 N 2.10 1.13 -4.02 1.52 2.04 -1.92 -3.45 117.51 114.91 1xl4 h ILE 168 Ca -0.41 -2.72 -0.54 0.00 1.00 0.00 0.00 64.86 62.19 1xl4 h ILE 168 Cb 1.24 2.52 0.11 0.00 -0.74 0.00 0.00 36.82 39.96 1xl4 h ILE 168 CO 0.70 0.64 0.60 -1.61 0.00 0.00 0.00 178.15 178.48 1xl4 s GLU 169 N -2.80 3.46 0.37 2.37 8.01 -1.26 -4.99 118.70 123.86 1xl4 s GLU 169 Ca 0.00 2.16 0.01 0.00 0.01 0.00 0.00 54.97 57.15 1xl4 s GLU 169 Cb 0.09 -2.42 -0.03 0.00 -4.31 0.00 0.00 34.13 27.46 1xl4 s GLU 169 CO 0.80 -0.91 0.57 -0.65 0.01 0.00 0.00 175.26 175.08 1xl4 s GLN 170 N -2.70 3.39 -0.18 1.61 -0.21 -1.26 -4.86 119.66 115.45 1xl4 s GLN 170 Ca 0.66 -0.39 -0.03 0.00 0.02 0.00 0.00 55.36 55.63 1xl4 s GLN 170 Cb -0.38 -2.65 -0.02 0.00 1.00 0.00 0.00 33.01 30.96 1xl4 s GLN 170 CO 0.46 0.07 -0.06 0.42 -2.12 0.00 0.00 175.29 174.06 1xl4 s ILE 171 N -2.36 3.50 0.02 1.08 1.01 -0.67 -1.21 121.20 122.57 1xl4 s ILE 171 Ca 0.42 -0.48 -0.11 0.00 0.00 0.00 0.00 60.65 60.48 1xl4 s ILE 171 Cb -0.10 -2.54 -0.05 0.00 0.01 0.00 0.00 42.46 39.78 1xl4 s ILE 171 CO 0.36 0.47 0.36 -0.63 0.00 0.00 0.00 174.94 175.50 1xl4 s ILE 172 N 0.81 5.14 -1.17 2.92 -1.09 0.36 -0.69 121.20 127.50 1xl4 s ILE 172 Ca -0.02 0.54 -0.15 0.00 -2.23 0.00 0.00 60.65 58.79 1xl4 s ILE 172 Cb -0.15 -3.63 -0.02 0.00 -1.58 0.00 0.00 42.46 37.08 1xl4 s ILE 172 CO 0.01 0.45 0.77 -0.62 -1.23 0.00 0.00 174.94 174.32 1xl4 n GLU 173 N 1.40 -2.00 -2.76 2.79 1.02 -0.45 -0.33 120.64 120.31 1xl4 n GLU 173 Ca -0.12 0.53 -0.41 0.00 -0.02 0.00 0.00 57.16 57.14 1xl4 n GLU 173 Cb 0.53 -4.53 -0.04 0.00 -0.02 0.00 0.00 31.44 27.38 1xl4 n GLU 173 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1xl4 s ALA 174 N -3.52 3.21 0.01 0.62 0.00 0.34 -4.28 121.76 118.14 1xl4 s ALA 174 Ca 0.38 0.50 0.07 0.00 0.00 0.00 0.00 51.96 52.91 1xl4 s ALA 174 Cb -0.12 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.71 1xl4 s ALA 174 CO 0.84 -0.15 -0.22 -0.51 0.00 0.00 0.00 175.76 175.72 1xl4 s ASP 175 N 0.67 2.63 0.00 0.00 1.01 0.12 -0.70 116.67 120.40 1xl4 s ASP 175 Ca 0.49 -0.46 0.02 0.00 0.71 0.00 0.00 52.55 53.30 1xl4 s ASP 175 Cb -0.21 -0.26 -0.01 0.00 1.01 0.00 0.00 42.92 43.45 1xl4 s ASP 175 CO 0.27 0.24 -0.06 0.54 0.21 0.00 0.00 175.17 176.37 1xl4 s VAL 176 N -0.64 0.45 -0.02 -1.27 0.11 -0.68 -1.44 120.40 116.92 1xl4 s VAL 176 Ca 0.09 -0.38 0.05 0.00 -2.93 0.00 0.00 61.98 58.80 1xl4 s VAL 176 Cb -0.09 -0.41 -0.01 0.00 -1.53 0.00 0.00 36.38 34.34 1xl4 s VAL 176 CO 0.00 0.03 -0.17 -1.00 -3.33 0.00 0.00 175.10 170.64 1xl4 s HIS 177 N -0.35 1.53 -0.28 1.54 3.76 -0.30 -4.78 115.29 116.41 1xl4 s HIS 177 Ca 0.00 -0.32 -0.00 0.00 -0.15 0.00 0.00 55.06 54.59 1xl4 s HIS 177 Cb -0.03 -1.00 0.05 0.00 1.11 0.00 0.00 32.58 32.71 1xl4 s HIS 177 CO -0.00 -0.05 -0.05 -1.17 -0.85 0.00 0.00 174.74 172.62 1xl4 s LEU 178 N -0.31 3.61 -0.16 0.89 2.96 -1.26 -1.38 118.68 123.04 1xl4 s LEU 178 Ca 0.05 -1.24 -0.00 0.00 -0.22 0.00 0.00 54.13 52.71 1xl4 s LEU 178 Cb -0.07 -1.65 -0.01 0.00 0.50 0.00 0.00 46.19 44.96 1xl4 s LEU 178 CO -0.00 -0.21 -0.13 -0.69 -1.32 0.00 0.00 176.35 173.99 1xl4 s VAL 179 N 1.21 2.86 -0.16 1.68 1.01 0.13 -0.48 120.40 126.66 1xl4 s VAL 179 Ca -0.06 -0.70 -0.19 0.00 0.00 0.00 0.00 61.98 61.04 1xl4 s VAL 179 Cb -0.19 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 1xl4 s VAL 179 CO -0.03 0.50 0.51 -0.22 0.00 0.00 0.00 175.10 175.87 1xl4 s LEU 180 N 0.81 4.20 -0.18 3.92 2.96 0.23 0.31 118.68 130.93 1xl4 s LEU 180 Ca -0.05 0.76 0.01 0.00 -0.22 0.00 0.00 54.13 54.63 1xl4 s LEU 180 Cb -0.15 -2.73 0.02 0.00 0.50 0.00 0.00 46.19 43.83 1xl4 s LEU 180 CO 0.00 -0.11 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.04 1xl4 s VAL 181 N 1.22 2.09 0.20 1.68 1.01 0.19 -0.70 120.40 126.09 1xl4 s VAL 181 Ca 0.26 -0.94 -0.10 0.00 0.00 0.00 0.00 61.98 61.19 1xl4 s VAL 181 Cb -0.15 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 1xl4 s VAL 181 CO 0.10 0.53 0.35 0.00 0.00 0.00 0.00 175.10 176.08 1xl4 s ARG 182 N 1.29 1.30 -0.14 2.72 1.70 -0.93 -0.09 118.95 124.81 1xl4 s ARG 182 Ca 0.05 -1.22 -0.19 0.00 -0.47 0.00 0.00 55.73 53.90 1xl4 s ARG 182 Cb -0.13 0.41 -0.04 0.00 -0.57 0.00 0.00 34.95 34.62 1xl4 s ARG 182 CO -0.13 -0.50 0.52 -1.12 -1.08 0.00 0.00 175.30 172.99 1xl4 s SER 183 N -3.00 6.67 0.19 -2.89 0.01 0.89 -0.28 113.70 115.29 1xl4 s SER 183 Ca 0.21 0.80 0.04 0.00 1.31 0.00 0.00 55.95 58.31 1xl4 s SER 183 Cb 0.02 -2.30 -0.05 0.00 0.21 0.00 0.00 66.02 63.90 1xl4 s SER 183 CO 0.04 -0.08 -0.07 -1.61 0.41 0.00 0.00 173.24 171.93 1xl4 s GLU 184 N 1.02 1.19 -0.17 12.44 2.02 -0.06 -4.78 118.70 130.36 1xl4 s GLU 184 Ca 0.26 -1.55 -0.04 0.00 0.02 0.00 0.00 54.97 53.66 1xl4 s GLU 184 Cb -0.15 -0.67 -0.03 0.00 0.10 0.00 0.00 34.13 33.38 1xl4 s GLU 184 CO 0.11 0.02 -0.02 0.42 0.02 0.00 0.00 175.26 175.80 1xl4 s ILE 185 N -3.33 3.96 1.01 -1.63 1.01 -1.26 -1.05 121.20 119.90 1xl4 s ILE 185 Ca 0.22 -0.33 -0.17 0.00 0.00 0.00 0.00 60.65 60.37 1xl4 s ILE 185 Cb 0.03 -2.75 0.22 0.00 0.01 0.00 0.00 42.46 39.98 1xl4 s ILE 185 CO 0.04 0.48 1.29 -0.94 0.00 0.00 0.00 174.94 175.81 1xl4 s SER 186 N 0.51 2.66 0.16 3.58 1.04 0.22 -4.92 113.70 116.95 1xl4 s SER 186 Ca -0.02 0.31 -0.07 0.00 0.48 0.00 0.00 55.95 56.65 1xl4 s SER 186 Cb -0.14 -0.37 0.02 0.00 0.10 0.00 0.00 66.02 65.63 1xl4 s SER 186 CO 0.02 -3.02 1.46 1.56 0.98 0.00 0.00 173.24 174.24 1xl4 h GLN 187 N -1.84 0.69 0.00 4.02 4.20 -2.00 -2.30 115.11 117.89 1xl4 h GLN 187 Ca -0.44 -0.44 0.00 0.00 0.06 0.00 0.00 58.65 57.82 1xl4 h GLN 187 Cb 1.24 0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.07 1xl4 h GLN 187 CO 0.36 1.06 0.00 0.39 -0.67 0.00 0.00 178.83 179.98 1xl4 n GLU 188 N -3.98 0.33 -0.76 1.46 4.71 -1.26 -4.78 120.64 116.37 1xl4 n GLU 188 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.11 1xl4 n GLU 188 Cb 0.62 -1.28 0.00 0.00 -1.01 0.00 0.00 31.44 29.77 1xl4 n GLU 188 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xl4 n GLY 189 N -0.26 1.07 3.73 0.62 0.00 -0.86 -5.03 105.19 104.46 1xl4 n GLY 189 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1xl4 n GLY 189 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1xl4 s MET 190 N -0.16 4.64 -0.29 1.61 0.00 -1.26 -4.69 119.30 119.15 1xl4 s MET 190 Ca 0.00 1.58 -0.10 0.00 0.00 0.00 0.00 55.69 57.17 1xl4 s MET 190 Cb 0.00 -3.33 -0.03 0.00 0.00 0.00 0.00 34.83 31.47 1xl4 s MET 190 CO 0.00 0.13 0.17 0.08 0.00 0.00 0.00 175.02 175.41 1xl4 s VAL 191 N -0.07 4.99 0.21 10.11 1.01 -1.26 0.70 120.40 136.10 1xl4 s VAL 191 Ca 0.48 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 62.38 1xl4 s VAL 191 Cb -0.26 -3.45 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 1xl4 s VAL 191 CO 0.32 0.17 0.06 0.72 0.00 0.00 0.00 175.10 176.37 1xl4 s PHE 192 N 1.70 1.34 -0.27 5.22 -0.12 -0.22 -4.94 117.98 120.69 1xl4 s PHE 192 Ca 0.06 -1.14 -0.24 0.00 -0.05 0.00 0.00 56.93 55.56 1xl4 s PHE 192 Cb -0.16 -0.77 -0.00 0.00 -0.63 0.00 0.00 43.02 41.46 1xl4 s PHE 192 CO 0.09 -0.33 0.81 1.03 -0.05 0.00 0.00 175.22 176.77 1xl4 s ARG 193 N -4.00 4.08 -0.03 1.99 1.81 -1.26 -0.88 118.95 120.65 1xl4 s ARG 193 Ca 0.32 0.78 -0.02 0.00 -1.72 0.00 0.00 55.73 55.08 1xl4 s ARG 193 Cb 0.07 -3.68 -0.04 0.00 -0.45 0.00 0.00 34.95 30.85 1xl4 s ARG 193 CO 0.09 -0.60 0.11 0.50 -0.68 0.00 0.00 175.30 174.73 1xl4 s ARG 194 N 2.91 3.22 -0.01 3.54 3.52 0.62 -4.93 118.95 127.82 1xl4 s ARG 194 Ca 0.34 -0.37 0.01 0.00 -0.13 0.00 0.00 55.73 55.57 1xl4 s ARG 194 Cb -0.15 -2.98 -0.04 0.00 -1.56 0.00 0.00 34.95 30.23 1xl4 s ARG 194 CO 0.10 0.68 0.02 -0.06 -0.81 0.00 0.00 175.30 175.23 1xl4 s PHE 195 N -1.17 3.13 -0.15 5.12 0.40 -1.26 -2.18 117.98 121.87 1xl4 s PHE 195 Ca 0.22 0.12 -0.04 0.00 -0.60 0.00 0.00 56.93 56.63 1xl4 s PHE 195 Cb -0.12 -1.70 0.05 0.00 0.51 0.00 0.00 43.02 41.77 1xl4 s PHE 195 CO 0.12 0.48 0.06 -1.01 0.70 0.00 0.00 175.22 175.58 1xl4 s HIS 196 N -1.09 0.48 -0.53 0.36 3.76 0.13 -4.97 115.29 113.43 1xl4 s HIS 196 Ca 0.20 -0.40 -0.29 0.00 -0.15 0.00 0.00 55.06 54.42 1xl4 s HIS 196 Cb -0.12 -0.78 0.03 0.00 1.11 0.00 0.00 32.58 32.82 1xl4 s HIS 196 CO 0.10 -0.49 1.18 0.34 -0.85 0.00 0.00 174.74 175.02 1xl4 s ASP 197 N 2.04 6.52 0.17 1.40 2.15 -1.26 -0.60 116.67 127.08 1xl4 s ASP 197 Ca 0.02 0.28 -0.30 0.00 0.43 0.00 0.00 52.55 52.97 1xl4 s ASP 197 Cb -0.16 -2.55 -0.07 0.00 -0.30 0.00 0.00 42.92 39.84 1xl4 s ASP 197 CO -0.08 -1.39 1.10 -0.76 -0.17 0.00 0.00 175.17 173.87 1xl4 s LEU 198 N 4.78 4.48 0.01 -1.34 1.43 0.37 -4.99 118.68 123.42 1xl4 s LEU 198 Ca 0.46 2.07 -0.30 0.00 -1.03 0.00 0.00 54.13 55.32 1xl4 s LEU 198 Cb -0.07 -3.60 -0.07 0.00 0.03 0.00 0.00 46.19 42.47 1xl4 s LEU 198 CO 0.28 -0.22 1.70 -0.89 0.23 0.00 0.00 176.35 177.45 1xl4 s THR 199 N -0.16 3.27 0.12 5.49 2.01 -1.26 -4.57 115.64 120.54 1xl4 s THR 199 Ca 0.50 0.51 0.03 0.00 0.31 0.00 0.00 61.69 63.03 1xl4 s THR 199 Cb -0.29 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 68.85 1xl4 s THR 199 CO 0.34 -0.03 0.19 -0.76 -0.69 0.00 0.00 174.62 173.68 1xl4 s LEU 200 N 3.52 4.10 0.35 4.42 1.43 -1.26 -4.13 118.68 127.12 1xl4 s LEU 200 Ca 0.76 0.08 0.10 0.00 -1.03 0.00 0.00 54.13 54.04 1xl4 s LEU 200 Cb -0.37 -2.71 0.67 0.00 0.03 0.00 0.00 46.19 43.80 1xl4 s LEU 200 CO 0.33 0.11 1.82 0.71 0.23 0.00 0.00 176.35 179.54 1xl4 h THR 201 N 2.02 1.24 -2.65 5.49 1.35 -1.82 -3.41 112.91 115.13 1xl4 h THR 201 Ca -0.47 -1.15 -0.13 0.00 -0.55 0.00 0.00 66.41 64.10 1xl4 h THR 201 Cb 1.18 1.50 -0.28 0.00 -1.73 0.00 0.00 68.15 68.82 1xl4 h THR 201 CO 0.68 0.34 -0.40 -0.60 -0.25 0.00 0.00 175.52 175.30 1xl4 s ARG 202 N -4.39 0.29 -0.00 4.72 3.52 -1.26 -5.03 118.95 116.80 1xl4 s ARG 202 Ca -0.04 0.89 0.03 0.00 -0.13 0.00 0.00 55.73 56.48 1xl4 s ARG 202 Cb 0.14 0.15 -0.04 0.00 -1.56 0.00 0.00 34.95 33.64 1xl4 s ARG 202 CO 0.74 -0.23 0.10 -1.13 -0.81 0.00 0.00 175.30 173.97 1xl4 n SER 203 N 5.08 2.29 -4.31 -2.12 3.41 -1.26 -4.78 113.62 111.93 1xl4 n SER 203 Ca -0.12 -0.28 -0.32 0.00 -0.26 0.00 0.00 58.87 57.89 1xl4 n SER 203 Cb 0.51 1.08 -0.16 0.00 -0.26 0.00 0.00 64.21 65.38 1xl4 n SER 203 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 1xl4 s ARG 204 N -1.77 2.82 -0.19 4.33 6.06 -1.26 -1.68 118.95 127.25 1xl4 s ARG 204 Ca -0.00 -0.83 -0.00 0.00 -2.50 0.00 0.00 55.73 52.40 1xl4 s ARG 204 Cb 0.02 -2.32 0.05 0.00 0.06 0.00 0.00 34.95 32.76 1xl4 s ARG 204 CO 0.13 0.34 -0.05 0.45 -2.50 0.00 0.00 175.30 173.67 1xl4 s SER 205 N -0.03 3.09 0.33 -2.12 0.15 0.12 -5.01 113.70 110.23 1xl4 s SER 205 Ca -0.06 -0.80 0.01 0.00 0.70 0.00 0.00 55.95 55.79 1xl4 s SER 205 Cb -0.15 -0.96 0.57 0.00 -1.71 0.00 0.00 66.02 63.77 1xl4 s SER 205 CO 0.05 -0.21 1.97 -0.65 1.20 0.00 0.00 173.24 175.60 1xl4 h PRO 206 N 8.09 0.94 -3.09 5.44 0.11 -1.92 0.98 132.00 142.54 1xl4 h PRO 206 Ca -0.22 -0.06 -0.45 0.00 0.11 0.00 0.00 66.00 65.38 1xl4 h PRO 206 Cb 1.10 -0.21 -0.41 0.00 0.11 0.00 0.00 31.00 31.59 1xl4 h PRO 206 CO 0.40 0.62 -0.75 0.42 -0.21 0.00 0.00 178.00 178.48 1xl4 s ILE 207 N -5.82 -0.07 -0.34 4.15 1.01 -1.26 -1.35 121.20 117.52 1xl4 s ILE 207 Ca -0.11 -0.12 -0.15 0.00 0.00 0.00 0.00 60.65 60.27 1xl4 s ILE 207 Cb 0.18 -0.55 -0.01 0.00 0.01 0.00 0.00 42.46 42.09 1xl4 s ILE 207 CO 0.78 -0.24 0.35 0.12 0.00 0.00 0.00 174.94 175.95 1xl4 s PHE 208 N 2.13 3.21 -0.01 3.97 5.36 0.14 -4.93 117.98 127.85 1xl4 s PHE 208 Ca 0.02 -0.04 -0.00 0.00 -0.96 0.00 0.00 56.93 55.95 1xl4 s PHE 208 Cb -0.16 -2.65 -0.01 0.00 -0.34 0.00 0.00 43.02 39.86 1xl4 s PHE 208 CO -0.08 -0.43 -0.01 0.43 -1.46 0.00 0.00 175.22 173.67 1xl4 n SER 209 N 5.36 2.22 0.00 6.13 7.64 -1.26 -1.66 113.62 132.04 1xl4 n SER 209 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.79 1xl4 n SER 209 Cb 0.49 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1xl4 n SER 209 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1xl4 n LEU 210 N -2.76 0.00 -4.47 -3.43 4.77 -1.26 -4.53 117.00 105.31 1xl4 n LEU 210 Ca -0.02 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.73 1xl4 n LEU 210 Cb 0.52 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.51 1xl4 n LEU 210 CO 0.01 0.00 -0.38 -0.55 -1.33 0.00 0.00 177.39 175.13 1xl4 s SER 211 N 0.56 3.17 -0.24 -1.43 0.15 -1.26 -0.19 113.70 114.45 1xl4 s SER 211 Ca 0.00 -1.18 -0.07 0.00 0.70 0.00 0.00 55.95 55.40 1xl4 s SER 211 Cb 0.00 -0.24 0.12 0.00 -1.71 0.00 0.00 66.02 64.18 1xl4 s SER 211 CO 0.00 -0.26 0.51 0.86 1.20 0.00 0.00 173.24 175.55 1xl4 s TRP 212 N -2.83 -1.04 -0.35 3.44 -0.00 0.28 -4.97 118.94 113.47 1xl4 s TRP 212 Ca 0.30 1.75 -0.16 0.00 -0.00 0.00 0.00 56.10 57.99 1xl4 s TRP 212 Cb 0.02 0.47 -0.01 0.00 -0.00 0.00 0.00 33.47 33.96 1xl4 s TRP 212 CO 0.14 -0.60 0.40 0.99 -0.00 0.00 0.00 176.95 177.88 1xl4 s THR 213 N 2.72 5.13 -0.24 5.86 2.01 -1.26 -0.92 115.64 128.95 1xl4 s THR 213 Ca -0.00 0.03 -0.20 0.00 0.31 0.00 0.00 61.69 61.83 1xl4 s THR 213 Cb -0.13 -3.88 -0.02 0.00 0.01 0.00 0.00 72.50 68.49 1xl4 s THR 213 CO -0.16 -0.16 0.61 -0.69 -0.69 0.00 0.00 174.62 173.53 1xl4 s VAL 214 N 2.09 5.01 0.02 3.82 1.01 -0.26 -4.97 120.40 127.12 1xl4 s VAL 214 Ca 0.13 1.10 0.07 0.00 0.00 0.00 0.00 61.98 63.28 1xl4 s VAL 214 Cb -0.16 -3.92 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 1xl4 s VAL 214 CO 0.12 0.07 -0.21 -0.04 0.00 0.00 0.00 175.10 175.03 1xl4 s MET 215 N 2.27 1.57 -0.30 2.72 -1.94 -1.26 -2.42 119.30 119.93 1xl4 s MET 215 Ca 0.26 -0.88 0.04 0.00 -1.71 0.00 0.00 55.69 53.39 1xl4 s MET 215 Cb -0.16 -1.62 0.08 0.00 2.01 0.00 0.00 34.83 35.15 1xl4 s MET 215 CO 0.09 0.43 -0.02 -1.58 -0.01 0.00 0.00 175.02 173.93 1xl4 s HIS 216 N -0.67 3.54 0.05 -0.03 2.46 0.16 -2.16 115.29 118.63 1xl4 s HIS 216 Ca 0.08 -2.70 -0.31 0.00 0.47 0.00 0.00 55.06 52.60 1xl4 s HIS 216 Cb -0.09 -2.49 -0.07 0.00 -0.13 0.00 0.00 32.58 29.81 1xl4 s HIS 216 CO 0.01 -0.92 1.50 -2.14 -2.47 0.00 0.00 174.74 170.72 1xl4 s PRO 217 N 0.99 4.25 -1.21 2.88 0.02 -1.26 -1.29 135.00 139.39 1xl4 s PRO 217 Ca 0.02 2.13 -0.15 0.00 0.02 0.00 0.00 61.00 63.02 1xl4 s PRO 217 Cb -0.19 -3.52 0.14 0.00 0.02 0.00 0.00 34.50 30.95 1xl4 s PRO 217 CO -0.07 -0.62 1.48 0.42 -0.33 0.00 0.00 177.00 177.88 1xl4 s ILE 218 N 2.27 4.79 0.50 2.83 1.01 -0.45 -4.80 121.20 127.35 1xl4 s ILE 218 Ca 0.68 -2.38 0.02 0.00 0.00 0.00 0.00 60.65 58.97 1xl4 s ILE 218 Cb -0.36 -4.97 0.10 0.00 0.01 0.00 0.00 42.46 37.24 1xl4 s ILE 218 CO 0.29 -1.71 0.69 -0.90 0.00 0.00 0.00 174.94 173.31 1xl4 n ASP 219 N 6.37 1.15 0.14 3.58 3.85 -1.26 -4.64 116.55 125.74 1xl4 n ASP 219 Ca 0.38 -1.92 0.19 0.00 -0.71 0.00 0.00 54.79 52.74 1xl4 n ASP 219 Cb 0.44 -0.42 0.77 0.00 -1.35 0.00 0.00 41.12 40.56 1xl4 n ASP 219 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.20 176.64 1xl4 h HIS 220 N -0.36 0.00 -0.01 2.11 3.86 -2.00 0.25 115.15 119.00 1xl4 h HIS 220 Ca -0.23 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.98 1xl4 h HIS 220 Cb 0.90 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.37 1xl4 h HIS 220 CO 0.00 0.00 -0.12 0.72 0.86 0.00 0.00 177.93 179.39 1xl4 n HIS 221 N -3.65 0.00 -2.61 2.45 8.25 -1.26 -4.93 115.22 113.46 1xl4 n HIS 221 Ca 0.05 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.13 1xl4 n HIS 221 Cb 0.53 -0.11 -0.05 0.00 1.12 0.00 0.00 29.99 31.49 1xl4 n HIS 221 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1xl4 s SER 222 N -2.34 7.21 0.46 0.41 0.15 0.07 -4.94 113.70 114.72 1xl4 s SER 222 Ca 0.31 2.05 0.22 0.00 0.70 0.00 0.00 55.95 59.23 1xl4 s SER 222 Cb 0.20 -2.60 1.11 0.00 -1.71 0.00 0.00 66.02 63.02 1xl4 s SER 222 CO 0.45 -0.17 1.95 -0.65 1.20 0.00 0.00 173.24 176.01 1xl4 h PRO 223 N 3.35 0.00 -0.62 5.44 0.11 -1.91 -2.47 132.00 135.90 1xl4 h PRO 223 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1xl4 h PRO 223 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1xl4 h PRO 223 CO 0.65 0.22 0.00 0.44 -0.21 0.00 0.00 178.00 179.10 1xl4 n ILE 224 N -3.76 2.35 -2.11 4.15 -5.35 -1.26 -4.89 119.36 108.49 1xl4 n ILE 224 Ca -0.01 -1.31 -0.42 0.00 -0.27 0.00 0.00 62.75 60.74 1xl4 n ILE 224 Cb 0.33 -0.09 -0.03 0.00 -1.74 0.00 0.00 39.64 38.10 1xl4 n ILE 224 CO 0.00 0.00 0.00 -0.47 -1.76 0.00 0.00 176.55 174.32 1xl4 s TYR 225 N -2.35 2.57 0.00 4.28 5.04 -0.93 -1.92 117.35 124.05 1xl4 s TYR 225 Ca 0.54 0.58 0.00 0.00 -2.44 0.00 0.00 57.07 55.74 1xl4 s TYR 225 Cb 0.38 -3.78 0.00 0.00 0.35 0.00 0.00 41.96 38.91 1xl4 s TYR 225 CO 0.20 -3.05 0.00 0.41 -1.34 0.00 0.00 175.55 171.77 1xl4 n GLY 226 N 3.83 1.20 3.86 8.97 0.00 -1.26 -5.02 105.19 116.76 1xl4 n GLY 226 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 1xl4 n GLY 226 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xl4 s GLU 227 N -0.23 3.37 0.36 1.61 0.41 -0.81 -5.06 118.70 118.35 1xl4 s GLU 227 Ca 0.00 0.78 0.04 0.00 -0.41 0.00 0.00 54.97 55.38 1xl4 s GLU 227 Cb 0.00 -2.05 -0.03 0.00 -1.78 0.00 0.00 34.13 30.27 1xl4 s GLU 227 CO 0.00 -0.74 0.14 0.95 -0.49 0.00 0.00 175.26 175.12 1xl4 s THR 228 N -3.16 0.52 0.42 3.63 -4.23 -1.26 -5.01 115.64 106.56 1xl4 s THR 228 Ca 0.56 -2.00 0.09 0.00 -1.18 0.00 0.00 61.69 59.16 1xl4 s THR 228 Cb -0.12 -2.46 0.22 0.00 1.34 0.00 0.00 72.50 71.48 1xl4 s THR 228 CO 0.54 0.00 2.01 -0.78 -0.54 0.00 0.00 174.62 175.85 1xl4 h ASP 229 N 2.00 0.31 0.00 3.99 1.82 -1.99 -2.09 116.42 120.47 1xl4 h ASP 229 Ca -0.35 -0.03 -0.00 0.00 -0.39 0.00 0.00 57.03 56.27 1xl4 h ASP 229 Cb 1.26 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 41.19 1xl4 h ASP 229 CO 0.55 0.31 -0.00 -0.08 -1.61 0.00 0.00 179.24 178.41 1xl4 h GLU 230 N 0.35 -0.01 -0.55 0.28 4.81 -2.00 -2.60 114.58 114.87 1xl4 h GLU 230 Ca 0.09 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1xl4 h GLU 230 Cb 0.12 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.48 1xl4 h GLU 230 CO -0.01 0.46 0.25 1.79 -0.73 0.00 0.00 179.01 180.78 1xl4 h THR 231 N -0.47 1.19 -0.09 0.32 1.35 -1.91 -1.59 112.91 111.70 1xl4 h THR 231 Ca -0.00 -0.54 -0.09 0.00 -0.55 0.00 0.00 66.41 65.23 1xl4 h THR 231 Cb 0.47 0.50 -0.01 0.00 -1.73 0.00 0.00 68.15 67.38 1xl4 h THR 231 CO 0.00 0.22 -0.36 -0.07 -0.25 0.00 0.00 175.52 175.06 1xl4 h LEU 232 N 0.77 0.19 -0.39 3.87 3.38 -1.39 -2.41 115.31 119.34 1xl4 h LEU 232 Ca 0.19 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.99 1xl4 h LEU 232 Cb 0.10 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 1xl4 h LEU 232 CO -0.02 0.54 -0.13 0.03 0.09 0.00 0.00 178.44 178.95 1xl4 h ARG 233 N 0.16 0.77 -0.47 1.13 3.08 -0.91 -0.14 114.38 118.01 1xl4 h ARG 233 Ca 0.02 -0.31 -0.00 0.00 0.07 0.00 0.00 59.98 59.76 1xl4 h ARG 233 Cb 0.71 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 1xl4 h ARG 233 CO 0.05 0.93 0.29 -0.91 -1.07 0.00 0.00 179.97 179.26 1xl4 h ASN 234 N 0.57 0.56 0.00 7.04 2.35 -1.12 -1.64 115.58 123.35 1xl4 h ASN 234 Ca 0.09 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1xl4 h ASN 234 Cb 0.67 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.90 1xl4 h ASN 234 CO 0.05 0.43 0.00 -1.54 -1.65 0.00 0.00 177.43 174.72 1xl4 n SER 235 N -4.73 0.00 -3.35 5.81 3.41 -0.93 -4.86 113.62 108.98 1xl4 n SER 235 Ca 0.02 -1.01 -0.24 0.00 -0.26 0.00 0.00 58.87 57.37 1xl4 n SER 235 Cb 0.04 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.03 1xl4 n SER 235 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1xl4 n HIS 236 N -0.89 -2.24 -1.73 7.33 8.25 -0.62 -0.08 115.22 125.25 1xl4 n HIS 236 Ca 0.16 0.70 -0.40 0.00 -0.26 0.00 0.00 57.72 57.92 1xl4 n HIS 236 Cb 0.07 -4.35 0.03 0.00 1.12 0.00 0.00 29.99 26.85 1xl4 n HIS 236 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1xl4 n SER 237 N -2.67 2.72 -3.91 0.41 7.64 -0.09 -4.60 113.62 113.13 1xl4 n SER 237 Ca -0.05 1.05 -0.09 0.00 1.01 0.00 0.00 58.87 60.80 1xl4 n SER 237 Cb 0.58 -1.55 -0.08 0.00 -1.01 0.00 0.00 64.21 62.15 1xl4 n SER 237 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1xl4 s GLU 238 N -2.52 0.70 -0.11 1.43 2.12 0.88 -4.06 118.70 117.13 1xl4 s GLU 238 Ca 0.65 -0.87 0.01 0.00 0.36 0.00 0.00 54.97 55.12 1xl4 s GLU 238 Cb -0.46 0.28 0.02 0.00 0.26 0.00 0.00 34.13 34.23 1xl4 s GLU 238 CO 0.54 -0.20 -0.11 -0.06 -0.54 0.00 0.00 175.26 174.90 1xl4 s PHE 239 N -3.23 1.69 -0.13 5.30 0.40 0.04 -0.64 117.98 121.41 1xl4 s PHE 239 Ca 0.00 -0.83 -0.05 0.00 -0.60 0.00 0.00 56.93 55.46 1xl4 s PHE 239 Cb 0.02 -1.30 -0.04 0.00 0.51 0.00 0.00 43.02 42.21 1xl4 s PHE 239 CO -0.08 -0.49 0.05 -0.51 0.70 0.00 0.00 175.22 174.89 1xl4 s LEU 240 N 1.35 3.82 -0.16 -0.37 1.43 0.15 -0.03 118.68 124.87 1xl4 s LEU 240 Ca -0.01 0.17 0.01 0.00 -1.03 0.00 0.00 54.13 53.28 1xl4 s LEU 240 Cb -0.14 -1.92 0.01 0.00 0.03 0.00 0.00 46.19 44.17 1xl4 s LEU 240 CO -0.05 0.30 -0.18 -0.69 0.23 0.00 0.00 176.35 175.95 1xl4 s VAL 241 N -0.38 2.37 -0.11 -1.59 1.01 0.05 0.23 120.40 121.98 1xl4 s VAL 241 Ca 0.09 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.23 1xl4 s VAL 241 Cb -0.12 -1.98 0.01 0.00 0.00 0.00 0.00 36.38 34.28 1xl4 s VAL 241 CO 0.02 0.53 -0.20 -0.76 0.00 0.00 0.00 175.10 174.69 1xl4 s LEU 242 N 0.91 1.95 -0.03 3.92 1.43 -0.48 -1.22 118.68 125.16 1xl4 s LEU 242 Ca -0.04 -0.51 0.06 0.00 -1.03 0.00 0.00 54.13 52.61 1xl4 s LEU 242 Cb -0.15 -1.28 -0.01 0.00 0.03 0.00 0.00 46.19 44.78 1xl4 s LEU 242 CO -0.03 0.08 -0.22 0.12 0.23 0.00 0.00 176.35 176.54 1xl4 s PHE 243 N 0.69 2.08 0.01 0.29 5.36 0.15 -1.15 117.98 125.41 1xl4 s PHE 243 Ca -0.12 -0.51 -0.11 0.00 -0.96 0.00 0.00 56.93 55.24 1xl4 s PHE 243 Cb -0.16 -1.36 0.01 0.00 -0.34 0.00 0.00 43.02 41.17 1xl4 s PHE 243 CO 0.02 -0.12 0.22 -0.08 -1.46 0.00 0.00 175.22 173.81 1xl4 s THR 244 N -0.30 0.09 -0.09 0.12 -1.32 -0.52 -1.13 115.64 112.48 1xl4 s THR 244 Ca 0.02 -0.70 -0.32 0.00 -1.21 0.00 0.00 61.69 59.48 1xl4 s THR 244 Cb -0.11 -0.69 0.13 0.00 -1.51 0.00 0.00 72.50 70.32 1xl4 s THR 244 CO 0.01 -0.39 1.41 -0.83 -2.21 0.00 0.00 174.62 172.61 1xl4 s GLY 245 N -1.67 -0.39 -0.39 6.08 0.00 -1.07 0.14 107.32 110.03 1xl4 s GLY 245 Ca -0.10 0.64 -0.14 0.00 0.00 0.00 0.00 44.72 45.11 1xl4 s GLY 245 CO 0.00 2.82 0.28 -1.58 0.00 0.00 0.00 173.10 174.62 1xl4 s HIS 246 N -2.03 3.24 -0.00 1.90 5.65 0.55 -0.66 115.29 123.95 1xl4 s HIS 246 Ca 0.22 -0.54 -0.27 0.00 0.25 0.00 0.00 55.06 54.72 1xl4 s HIS 246 Cb 0.05 -2.55 -0.04 0.00 -1.18 0.00 0.00 32.58 28.85 1xl4 s HIS 246 CO -0.05 -0.55 0.84 -1.58 -0.65 0.00 0.00 174.74 172.75 1xl4 s HIS 247 N 1.68 3.66 0.06 3.88 2.46 -1.15 0.14 115.29 126.02 1xl4 s HIS 247 Ca 0.05 1.51 0.19 0.00 0.47 0.00 0.00 55.06 57.28 1xl4 s HIS 247 Cb -0.19 -2.94 0.55 0.00 -0.13 0.00 0.00 32.58 29.87 1xl4 s HIS 247 CO 0.10 0.10 1.67 0.93 -2.47 0.00 0.00 174.74 175.07 1xl4 h GLU 248 N 6.42 0.00 0.00 2.88 5.08 -1.49 -0.48 114.58 126.99 1xl4 h GLU 248 Ca -0.42 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.92 1xl4 h GLU 248 Cb 1.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 1xl4 h GLU 248 CO 0.74 0.38 -0.11 0.00 -1.00 0.00 0.00 179.01 179.02 1xl4 h ALA 249 N 1.62 1.65 0.00 3.43 0.00 -1.90 -3.14 119.26 120.93 1xl4 h ALA 249 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1xl4 h ALA 249 Cb 1.01 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1xl4 h ALA 249 CO 0.05 0.14 0.00 1.19 0.00 0.00 0.00 179.25 180.62 1xl4 n PHE 250 N -4.17 0.00 -3.98 0.00 3.01 -1.14 -5.01 117.46 106.17 1xl4 n PHE 250 Ca -0.03 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.16 1xl4 n PHE 250 Cb 0.19 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.64 1xl4 n PHE 250 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1xl4 n ALA 251 N -0.25 -1.82 -3.57 4.37 0.00 -0.20 -4.93 120.51 114.10 1xl4 n ALA 251 Ca 0.00 -0.18 -0.08 0.00 0.00 0.00 0.00 53.44 53.18 1xl4 n ALA 251 Cb 0.01 -2.11 -0.04 0.00 0.00 0.00 0.00 19.45 17.31 1xl4 n ALA 251 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1xl4 s GLN 252 N -6.58 0.53 0.72 0.00 -2.07 -1.22 -5.03 119.66 106.01 1xl4 s GLN 252 Ca 0.19 -0.03 -0.15 0.00 -1.82 0.00 0.00 55.36 53.55 1xl4 s GLN 252 Cb -0.10 0.25 0.03 0.00 -1.09 0.00 0.00 33.01 32.10 1xl4 s GLN 252 CO 0.88 -0.20 1.21 -0.80 -1.32 0.00 0.00 175.29 175.07 1xl4 s ASN 253 N -1.63 4.24 0.09 12.60 0.01 -1.26 -2.92 114.94 126.07 1xl4 s ASN 253 Ca 0.03 2.38 0.03 0.00 -0.71 0.00 0.00 52.86 54.59 1xl4 s ASN 253 Cb -0.01 -2.59 -0.04 0.00 0.41 0.00 0.00 41.25 39.02 1xl4 s ASN 253 CO -0.03 -2.23 -0.09 0.68 -1.51 0.00 0.00 177.10 173.92 1xl4 s VAL 254 N -1.93 0.81 0.03 1.60 -7.23 0.17 -4.86 120.40 108.99 1xl4 s VAL 254 Ca 0.75 -1.68 0.01 0.00 -1.81 0.00 0.00 61.98 59.25 1xl4 s VAL 254 Cb -0.30 -1.39 -0.02 0.00 0.56 0.00 0.00 36.38 35.23 1xl4 s VAL 254 CO 0.45 -0.65 -0.05 -1.00 -0.31 0.00 0.00 175.10 173.53 1xl4 s HIS 255 N -2.74 0.44 -0.07 2.82 0.09 -1.26 -2.59 115.29 111.97 1xl4 s HIS 255 Ca 0.06 -0.42 -0.27 0.00 -0.00 0.00 0.00 55.06 54.42 1xl4 s HIS 255 Cb -0.01 -0.28 0.06 0.00 -0.00 0.00 0.00 32.58 32.36 1xl4 s HIS 255 CO -0.01 -0.11 0.62 0.00 -0.00 0.00 0.00 174.74 175.24 1xl4 s ALA 256 N -1.15 -1.60 0.19 -1.40 0.00 -0.29 -4.27 121.76 113.24 1xl4 s ALA 256 Ca -0.10 1.25 -0.14 0.00 0.00 0.00 0.00 51.96 52.96 1xl4 s ALA 256 Cb -0.08 -0.14 0.01 0.00 0.00 0.00 0.00 23.12 22.92 1xl4 s ALA 256 CO -0.00 -0.35 0.44 -0.98 0.00 0.00 0.00 175.76 174.87 1xl4 s ARG 257 N -1.00 1.31 -0.03 0.00 1.70 -1.26 0.32 118.95 120.00 1xl4 s ARG 257 Ca -0.10 -0.98 -0.19 0.00 -0.47 0.00 0.00 55.73 53.99 1xl4 s ARG 257 Cb -0.01 0.47 0.04 0.00 -0.57 0.00 0.00 34.95 34.87 1xl4 s ARG 257 CO 0.08 -0.53 0.42 -1.58 -1.08 0.00 0.00 175.30 172.60 1xl4 s HIS 258 N -3.91 -0.32 -0.02 5.89 2.46 -0.36 -4.99 115.29 114.04 1xl4 s HIS 258 Ca 0.12 0.53 0.08 0.00 0.47 0.00 0.00 55.06 56.26 1xl4 s HIS 258 Cb 0.00 0.19 -0.02 0.00 -0.13 0.00 0.00 32.58 32.62 1xl4 s HIS 258 CO -0.01 -0.45 -0.25 0.00 -2.47 0.00 0.00 174.74 171.56 1xl4 s ALA 259 N -1.24 2.19 -0.05 1.58 0.00 -1.26 -0.77 121.76 122.20 1xl4 s ALA 259 Ca -0.12 -1.11 0.05 0.00 0.00 0.00 0.00 51.96 50.77 1xl4 s ALA 259 Cb -0.04 -0.57 -0.01 0.00 0.00 0.00 0.00 23.12 22.50 1xl4 s ALA 259 CO 0.06 0.53 -0.20 0.71 0.00 0.00 0.00 175.76 176.86 1xl4 s TYR 260 N -0.61 2.00 0.46 0.00 1.51 0.96 -4.97 117.35 116.70 1xl4 s TYR 260 Ca 0.10 -0.60 0.03 0.00 -1.01 0.00 0.00 57.07 55.59 1xl4 s TYR 260 Cb -0.10 -1.34 0.01 0.00 -0.11 0.00 0.00 41.96 40.42 1xl4 s TYR 260 CO -0.01 -0.20 0.66 -1.54 -1.11 0.00 0.00 175.55 173.35 1xl4 s SER 261 N -0.01 5.65 0.34 2.29 1.04 -1.26 -0.78 113.70 120.97 1xl4 s SER 261 Ca -0.05 0.02 0.09 0.00 0.48 0.00 0.00 55.95 56.50 1xl4 s SER 261 Cb -0.13 -1.16 0.84 0.00 0.10 0.00 0.00 66.02 65.68 1xl4 s SER 261 CO 0.03 -0.81 1.80 0.00 0.98 0.00 0.00 173.24 175.24 1xl4 h ASP 263 N 0.66 0.20 -0.21 0.00 3.32 -1.94 -2.25 116.42 116.20 1xl4 h ASP 263 Ca 0.55 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.60 1xl4 h ASP 263 Cb 0.99 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.49 1xl4 h ASP 263 CO -0.32 0.14 0.00 -0.62 -1.72 0.00 0.00 179.24 176.72 1xl4 n GLU 264 N -4.48 2.31 -3.83 3.56 1.02 0.05 -4.77 120.64 114.50 1xl4 n GLU 264 Ca 0.04 -1.11 -0.36 0.00 -0.02 0.00 0.00 57.16 55.71 1xl4 n GLU 264 Cb 0.24 -1.71 -0.13 0.00 -0.02 0.00 0.00 31.44 29.82 1xl4 n GLU 264 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1xl4 s ILE 265 N -1.64 4.03 -0.53 -3.67 1.01 -0.85 -0.93 121.20 118.63 1xl4 s ILE 265 Ca 0.19 -0.27 -0.17 0.00 0.00 0.00 0.00 60.65 60.40 1xl4 s ILE 265 Cb 0.14 -2.87 0.09 0.00 0.01 0.00 0.00 42.46 39.84 1xl4 s ILE 265 CO 0.07 0.37 0.55 -0.63 0.00 0.00 0.00 174.94 175.30 1xl4 s ILE 266 N 1.50 5.04 -0.13 2.92 -1.09 0.57 -4.96 121.20 125.05 1xl4 s ILE 266 Ca 0.06 -1.04 -0.29 0.00 -2.23 0.00 0.00 60.65 57.14 1xl4 s ILE 266 Cb -0.15 -4.32 -0.02 0.00 -1.58 0.00 0.00 42.46 36.39 1xl4 s ILE 266 CO 0.02 -0.85 1.31 0.26 -1.23 0.00 0.00 174.94 174.44 1xl4 s TRP 267 N 2.12 2.79 0.00 3.97 0.52 -1.26 -1.98 118.94 125.10 1xl4 s TRP 267 Ca 0.08 0.93 0.00 0.00 0.02 0.00 0.00 56.10 57.13 1xl4 s TRP 267 Cb -0.25 -3.55 0.00 0.00 -1.15 0.00 0.00 33.47 28.52 1xl4 s TRP 267 CO 0.07 -1.94 0.00 0.41 0.02 0.00 0.00 176.95 175.51 1xl4 n GLY 268 N 3.64 0.59 3.78 0.98 0.00 0.02 -4.93 105.19 109.28 1xl4 n GLY 268 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 1xl4 n GLY 268 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xl4 s GLY 269 N -1.46 1.91 -0.06 -0.02 0.00 -0.84 -4.72 107.32 102.12 1xl4 s GLY 269 Ca 0.00 0.36 -0.03 0.00 0.00 0.00 0.00 44.72 45.05 1xl4 s GLY 269 CO 0.00 0.70 0.12 0.30 0.00 0.00 0.00 173.10 174.22 1xl4 s HIS 270 N -2.66 -0.09 0.34 1.90 3.76 -0.84 -4.33 115.29 113.37 1xl4 s HIS 270 Ca 0.63 0.45 -0.29 0.00 -0.15 0.00 0.00 55.06 55.71 1xl4 s HIS 270 Cb -0.18 -0.29 -0.11 0.00 1.11 0.00 0.00 32.58 33.11 1xl4 s HIS 270 CO 0.48 -0.22 1.42 -0.06 -0.85 0.00 0.00 174.74 175.51 1xl4 s PHE 271 N 1.98 2.83 -0.14 1.40 0.40 -1.26 -0.04 117.98 123.15 1xl4 s PHE 271 Ca 0.01 1.23 -0.29 0.00 -0.60 0.00 0.00 56.93 57.27 1xl4 s PHE 271 Cb -0.12 -3.87 -0.01 0.00 0.51 0.00 0.00 43.02 39.53 1xl4 s PHE 271 CO -0.05 -2.54 1.12 0.08 0.70 0.00 0.00 175.22 174.53 1xl4 s VAL 272 N -0.93 4.52 0.24 -0.44 1.01 -0.79 -4.84 120.40 119.18 1xl4 s VAL 272 Ca 0.53 1.83 -0.28 0.00 0.00 0.00 0.00 61.98 64.05 1xl4 s VAL 272 Cb -0.43 -4.18 -0.16 0.00 0.00 0.00 0.00 36.38 31.62 1xl4 s VAL 272 CO 0.56 -0.07 0.76 -0.67 0.00 0.00 0.00 175.10 175.67 1xl4 n ASP 273 N 5.73 -0.00 -0.00 3.32 2.03 -1.26 -4.80 116.55 121.57 1xl4 n ASP 273 Ca 0.11 1.15 0.05 0.00 0.52 0.00 0.00 54.79 56.62 1xl4 n ASP 273 Cb 0.47 -1.12 -0.06 0.00 -0.72 0.00 0.00 41.12 39.69 1xl4 n ASP 273 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1xl4 n VAL 274 N 0.11 0.00 -2.75 5.18 0.24 -1.26 -4.88 118.33 114.97 1xl4 n VAL 274 Ca 0.14 -0.26 -0.42 0.00 -2.04 0.00 0.00 64.34 61.75 1xl4 n VAL 274 Cb 0.28 0.83 -0.04 0.00 -1.47 0.00 0.00 33.84 33.45 1xl4 n VAL 274 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1xl4 s PHE 275 N -2.10 2.58 0.19 6.34 0.40 -1.26 -0.88 117.98 123.25 1xl4 s PHE 275 Ca 0.02 -0.24 -0.07 0.00 -0.60 0.00 0.00 56.93 56.04 1xl4 s PHE 275 Cb 0.07 -4.36 -0.06 0.00 0.51 0.00 0.00 43.02 39.18 1xl4 s PHE 275 CO 0.41 -1.71 0.47 0.99 0.70 0.00 0.00 175.22 176.08 1xl4 s THR 276 N 4.57 5.04 -0.33 0.64 2.01 0.20 -4.90 115.64 122.87 1xl4 s THR 276 Ca 0.29 0.27 -0.10 0.00 0.31 0.00 0.00 61.69 62.46 1xl4 s THR 276 Cb -0.13 -3.62 -0.00 0.00 0.01 0.00 0.00 72.50 68.76 1xl4 s THR 276 CO 0.14 -0.02 0.18 0.28 -0.69 0.00 0.00 174.62 174.51 1xl4 s THR 277 N -1.74 4.71 0.53 -0.82 -1.32 -1.26 1.00 115.64 116.73 1xl4 s THR 277 Ca 0.44 -0.49 -0.22 0.00 -1.21 0.00 0.00 61.69 60.22 1xl4 s THR 277 Cb -0.12 -3.46 -0.05 0.00 -1.51 0.00 0.00 72.50 67.37 1xl4 s THR 277 CO 0.23 -0.02 1.31 -0.76 -2.21 0.00 0.00 174.62 173.17 1xl4 s LEU 278 N 1.62 3.87 0.59 9.08 1.43 0.56 -4.85 118.68 130.98 1xl4 s LEU 278 Ca 0.04 2.66 0.29 0.00 -1.03 0.00 0.00 54.13 56.10 1xl4 s LEU 278 Cb -0.18 -4.29 1.31 0.00 0.03 0.00 0.00 46.19 43.06 1xl4 s LEU 278 CO 0.07 -1.46 1.68 -0.65 0.23 0.00 0.00 176.35 176.22 1xl4 h PRO 279 N 1.53 0.00 -2.32 1.29 0.11 -1.98 -2.52 132.00 128.11 1xl4 h PRO 279 Ca -0.51 0.00 -0.71 0.00 0.11 0.00 0.00 66.00 64.90 1xl4 h PRO 279 Cb 1.29 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 32.06 1xl4 h PRO 279 CO 0.58 0.00 0.23 -0.40 -0.21 0.00 0.00 178.00 178.20 1xl4 n ASP 280 N -3.57 5.88 0.00 -2.05 5.75 -1.26 -4.92 116.55 116.38 1xl4 n ASP 280 Ca 0.16 -3.65 0.00 0.00 -0.01 0.00 0.00 54.79 51.29 1xl4 n ASP 280 Cb 1.04 -0.90 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 1xl4 n ASP 280 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xl4 n GLY 281 N 0.05 0.00 3.89 6.12 0.00 -0.95 -4.94 105.19 109.35 1xl4 n GLY 281 Ca 0.38 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.10 1xl4 n GLY 281 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xl4 s ARG 282 N -1.00 3.29 0.00 1.61 0.52 -1.25 -4.90 118.95 117.22 1xl4 s ARG 282 Ca 0.00 -0.54 -0.16 0.00 -0.52 0.00 0.00 55.73 54.51 1xl4 s ARG 282 Cb 0.00 -2.94 -0.06 0.00 0.52 0.00 0.00 34.95 32.47 1xl4 s ARG 282 CO 0.00 0.58 0.44 1.03 0.02 0.00 0.00 175.30 177.37 1xl4 s ARG 283 N -2.62 4.01 0.06 3.54 0.52 -1.26 0.21 118.95 123.41 1xl4 s ARG 283 Ca 0.33 0.47 0.00 0.00 -0.52 0.00 0.00 55.73 56.02 1xl4 s ARG 283 Cb -0.12 -3.25 -0.04 0.00 0.52 0.00 0.00 34.95 32.06 1xl4 s ARG 283 CO 0.27 0.63 -0.05 0.00 0.02 0.00 0.00 175.30 176.17 1xl4 s ALA 284 N -0.91 0.65 -0.18 2.13 0.00 0.28 -4.84 121.76 118.89 1xl4 s ALA 284 Ca 0.25 -1.17 -0.01 0.00 0.00 0.00 0.00 51.96 51.03 1xl4 s ALA 284 Cb -0.17 0.20 -0.00 0.00 0.00 0.00 0.00 23.12 23.15 1xl4 s ALA 284 CO 0.14 -0.27 -0.13 -1.17 0.00 0.00 0.00 175.76 174.33 1xl4 s LEU 285 N -2.71 2.56 -0.51 0.00 2.96 -1.26 0.60 118.68 120.32 1xl4 s LEU 285 Ca 0.05 -0.47 -0.00 0.00 -0.22 0.00 0.00 54.13 53.50 1xl4 s LEU 285 Cb 0.04 -1.61 0.13 0.00 0.50 0.00 0.00 46.19 45.26 1xl4 s LEU 285 CO -0.06 0.05 0.29 -0.62 -1.32 0.00 0.00 176.35 174.68 1xl4 s ASP 286 N 1.06 4.93 0.00 3.68 2.15 -0.06 -4.92 116.67 123.50 1xl4 s ASP 286 Ca -0.00 -2.64 0.09 0.00 0.43 0.00 0.00 52.55 50.42 1xl4 s ASP 286 Cb -0.15 -1.76 0.50 0.00 -0.30 0.00 0.00 42.92 41.22 1xl4 s ASP 286 CO -0.03 -0.37 1.02 0.18 -0.17 0.00 0.00 175.17 175.81 1xl4 n LEU 287 N 3.71 0.00 0.18 -1.34 4.77 -1.26 -2.53 117.00 120.52 1xl4 n LEU 287 Ca 0.05 0.08 0.02 0.00 -0.03 0.00 0.00 56.01 56.13 1xl4 n LEU 287 Cb 0.37 -0.08 0.37 0.00 -2.33 0.00 0.00 43.42 41.76 1xl4 n LEU 287 CO 0.32 -0.06 0.76 1.23 -1.33 0.00 0.00 177.39 178.31 1xl4 h GLY 288 N 1.39 0.04 -1.53 -0.72 0.00 -1.96 -2.54 103.07 97.76 1xl4 h GLY 288 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1xl4 h GLY 288 CO 0.00 0.03 0.00 0.28 0.00 0.00 0.00 176.54 176.85 1xl4 n LYS 289 N -4.14 2.11 -0.31 4.80 5.02 -1.05 -4.55 118.16 120.04 1xl4 n LYS 289 Ca -0.02 -1.67 0.13 0.00 -2.02 0.00 0.00 58.31 54.73 1xl4 n LYS 289 Cb 0.38 -1.45 0.30 0.00 -0.02 0.00 0.00 35.03 34.23 1xl4 n LYS 289 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1xl4 h PHE 290 N 3.40 0.68 -0.41 2.13 3.57 -1.62 -0.26 116.94 124.43 1xl4 h PHE 290 Ca 0.00 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1xl4 h PHE 290 Cb 0.74 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 39.33 1xl4 h PHE 290 CO 0.15 -0.02 0.00 0.72 -2.23 0.00 0.00 178.31 176.93 1xl4 n HIS 291 N -5.02 0.95 -3.35 0.41 8.25 -1.26 -4.87 115.22 110.33 1xl4 n HIS 291 Ca 0.22 -0.38 -0.38 0.00 -0.26 0.00 0.00 57.72 56.92 1xl4 n HIS 291 Cb 0.63 -0.17 -0.06 0.00 1.12 0.00 0.00 29.99 31.51 1xl4 n HIS 291 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1xl4 s GLU 292 N -1.73 4.20 -0.09 -0.41 2.02 -0.11 -4.87 118.70 117.71 1xl4 s GLU 292 Ca 0.32 0.51 0.03 0.00 0.02 0.00 0.00 54.97 55.86 1xl4 s GLU 292 Cb 0.21 -3.34 0.00 0.00 0.10 0.00 0.00 34.13 31.11 1xl4 s GLU 292 CO 0.16 0.40 -0.20 0.42 0.02 0.00 0.00 175.26 176.06 1xl4 s ILE 293 N -0.19 1.77 -0.10 -1.63 -1.09 -1.26 -1.89 121.20 116.81 1xl4 s ILE 293 Ca 0.26 -0.85 -0.21 0.00 -2.23 0.00 0.00 60.65 57.62 1xl4 s ILE 293 Cb -0.17 -1.55 -0.04 0.00 -1.58 0.00 0.00 42.46 39.12 1xl4 s ILE 293 CO 0.13 0.50 0.61 0.00 -1.23 0.00 0.00 174.94 174.95 1xl4 s ALA 294 N 0.49 3.41 0.00 9.38 0.00 0.94 -4.85 121.76 131.13 1xl4 s ALA 294 Ca -0.17 -0.03 0.03 0.00 0.00 0.00 0.00 51.96 51.79 1xl4 s ALA 294 Cb -0.17 -2.84 -0.01 0.00 0.00 0.00 0.00 23.12 20.09 1xl4 s ALA 294 CO 0.06 -0.12 -0.11 -0.65 0.00 0.00 0.00 175.76 174.94 1xl4 s GLN 295 N 0.87 0.86 0.32 0.00 -0.21 -1.26 -1.98 119.66 118.27 1xl4 s GLN 295 Ca 0.32 -0.45 -0.24 0.00 0.02 0.00 0.00 55.36 55.01 1xl4 s GLN 295 Cb -0.16 -0.83 -0.10 0.00 1.00 0.00 0.00 33.01 32.92 1xl4 s GLN 295 CO 0.14 0.22 0.91 -1.58 -2.12 0.00 0.00 175.29 172.86 1xl4 s HIS 296 N -0.39 3.63 0.02 0.91 5.65 -1.26 -5.07 115.29 118.78 1xl4 s HIS 296 Ca 0.03 1.69 0.08 0.00 0.25 0.00 0.00 55.06 57.12 1xl4 s HIS 296 Cb -0.05 -2.86 -0.02 0.00 -1.18 0.00 0.00 32.58 28.46 1xl4 s HIS 296 CO -0.00 0.18 -0.25 -1.01 -0.65 0.00 0.00 174.74 173.01 1xl4 s HIS 297 N -1.69 2.24 -0.08 3.88 3.76 -1.26 -5.14 115.29 117.00 1xl4 s HIS 297 Ca 0.51 -0.41 -0.03 0.00 -0.15 0.00 0.00 55.06 54.97 1xl4 s HIS 297 Cb -0.17 -1.38 -0.04 0.00 1.11 0.00 0.00 32.58 32.11 1xl4 s HIS 297 CO 0.22 0.06 0.07 -1.01 -0.85 0.00 0.00 174.74 173.23 1xl4 s HIS 298 N -0.72 3.35 -1.95 1.40 3.76 -1.26 -5.37 115.29 114.51 1xl4 s HIS 298 Ca 0.10 0.32 0.00 0.00 -0.15 0.00 0.00 55.06 55.34 1xl4 s HIS 298 Cb -0.10 -1.84 0.00 0.00 1.11 0.00 0.00 32.58 31.76 1xl4 s HIS 298 CO 0.01 0.59 0.49 0.72 -0.85 0.00 0.00 174.74 175.69