#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lws h ARG 3 N 0.00 0.04 -0.43 1.20 2.43 -1.99 -2.90 114.38 112.74 3lws h ARG 3 Ca 0.00 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3lws h ARG 3 Cb 0.00 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 3lws h ARG 3 CO 0.00 1.03 0.24 1.25 -1.51 0.00 0.00 179.97 180.98 3lws h LEU 4 N 0.01 0.38 -1.08 3.80 5.85 -1.92 0.20 115.31 122.55 3lws h LEU 4 Ca -0.03 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.66 3lws h LEU 4 Cb 1.79 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.73 3lws h LEU 4 CO 0.14 0.27 0.20 -0.09 -0.34 0.00 0.00 178.44 178.62 3lws h ARG 5 N 0.48 0.86 -0.10 1.25 2.43 -1.51 -1.91 114.38 115.87 3lws h ARG 5 Ca 0.17 -0.15 -0.16 0.00 -0.81 0.00 0.00 59.98 59.03 3lws h ARG 5 Cb 0.04 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 29.45 3lws h ARG 5 CO -0.09 0.73 -0.58 1.15 -1.51 0.00 0.00 179.97 179.66 3lws h THR 6 N 0.84 1.35 -0.32 0.20 2.02 -1.27 0.18 112.91 115.91 3lws h THR 6 Ca 0.20 -1.89 0.00 0.00 0.77 0.00 0.00 66.41 65.49 3lws h THR 6 Cb 0.21 2.19 -0.02 0.00 -1.74 0.00 0.00 68.15 68.79 3lws h THR 6 CO -0.01 0.57 0.21 0.77 0.37 0.00 0.00 175.52 177.43 3lws h SER 7 N 0.19 0.37 -0.01 4.18 4.64 -0.53 -1.47 113.55 120.92 3lws h SER 7 Ca -0.04 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.18 3lws h SER 7 Cb 1.23 -0.09 0.01 0.00 -0.31 0.00 0.00 62.40 63.23 3lws h SER 7 CO 0.12 0.27 -0.33 0.15 -0.87 0.00 0.00 176.83 176.17 3lws h PHE 8 N 0.44 0.35 0.00 4.77 3.57 -1.07 -3.24 116.94 121.76 3lws h PHE 8 Ca 0.12 -0.18 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 3lws h PHE 8 Cb -0.04 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 38.65 3lws h PHE 8 CO 0.00 0.98 -0.08 1.96 -2.23 0.00 0.00 178.31 178.94 3lws h GLN 9 N -0.38 0.00 -0.01 1.11 4.20 -0.36 -2.48 115.11 117.18 3lws h GLN 9 Ca -0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.67 3lws h GLN 9 Cb 1.06 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.84 3lws h GLN 9 CO 0.07 0.08 -0.02 1.04 -0.67 0.00 0.00 178.83 179.33 3lws n GLN 10 N -3.30 1.34 -1.45 1.46 1.13 -0.58 -4.92 117.38 111.06 3lws n GLN 10 Ca -0.01 -0.58 -0.30 0.00 -1.94 0.00 0.00 57.00 54.18 3lws n GLN 10 Cb 0.28 -1.49 0.10 0.00 0.11 0.00 0.00 30.24 29.24 3lws n GLN 10 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 3lws s THR 11 N -2.05 3.05 -0.99 5.09 -4.23 -0.94 -4.97 115.64 110.60 3lws s THR 11 Ca 0.40 0.34 0.19 0.00 -1.18 0.00 0.00 61.69 61.44 3lws s THR 11 Cb 0.21 -3.01 -0.18 0.00 1.34 0.00 0.00 72.50 70.87 3lws s THR 11 CO 0.36 -0.45 0.81 0.35 -0.54 0.00 0.00 174.62 175.16 3lws n THR 12 N -3.52 0.00 -3.53 3.99 -2.24 0.25 -4.96 114.28 104.26 3lws n THR 12 Ca 0.07 -0.09 -0.11 0.00 -2.27 0.00 0.00 64.05 61.65 3lws n THR 12 Cb 0.56 1.03 -0.03 0.00 -2.10 0.00 0.00 70.33 69.79 3lws n THR 12 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3lws s GLY 13 N -2.69 -0.46 0.02 3.38 0.00 -1.15 -5.07 107.32 101.35 3lws s GLY 13 Ca 0.08 0.25 -0.06 0.00 0.00 0.00 0.00 44.72 45.00 3lws s GLY 13 CO 0.73 0.02 0.10 1.20 0.00 0.00 0.00 173.10 175.15 3lws s GLN 14 N -3.79 0.49 0.25 2.90 1.11 -1.26 -0.54 119.66 118.82 3lws s GLN 14 Ca 0.03 -0.53 0.15 0.00 0.01 0.00 0.00 55.36 55.02 3lws s GLN 14 Cb -0.01 0.20 0.04 0.00 -1.01 0.00 0.00 33.01 32.22 3lws s GLN 14 CO -0.10 -0.11 1.36 -0.84 0.01 0.00 0.00 175.29 175.61 3lws h ILE 15 N 4.16 0.81 -2.40 1.08 3.07 -1.54 -2.96 117.51 119.73 3lws h ILE 15 Ca -0.31 -2.18 -0.55 0.00 1.55 0.00 0.00 64.86 63.37 3lws h ILE 15 Cb 1.19 2.37 -0.07 0.00 -0.27 0.00 0.00 36.82 40.04 3lws h ILE 15 CO 0.43 0.46 -0.58 -0.94 -1.05 0.00 0.00 178.15 176.47 3lws s SER 16 N -6.36 5.16 0.48 2.16 1.04 -1.26 -4.17 113.70 110.75 3lws s SER 16 Ca 0.03 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.11 3lws s SER 16 Cb 0.08 -1.21 0.00 0.00 0.10 0.00 0.00 66.02 64.99 3lws s SER 16 CO 0.75 0.01 0.00 0.61 0.98 0.00 0.00 173.24 175.60 3lws n GLY 17 N -0.79 -1.58 0.56 7.32 0.00 0.48 -4.53 105.19 106.64 3lws n GLY 17 Ca -0.08 -1.21 0.06 0.00 0.00 0.00 0.00 46.02 44.79 3lws n GLY 17 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3lws n HIS 18 N -1.62 0.23 0.00 1.61 8.25 -1.26 -1.50 115.22 120.93 3lws n HIS 18 Ca 0.00 -0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.22 3lws n HIS 18 Cb 0.10 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.20 3lws n HIS 18 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3lws n GLY 19 N 0.61 -1.29 3.74 -1.41 0.00 -1.26 -4.49 105.19 101.09 3lws n GLY 19 Ca 0.09 -2.12 -0.41 0.00 0.00 0.00 0.00 46.02 43.57 3lws n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3lws s LYS 20 N -0.05 4.26 -1.15 1.61 3.01 -1.26 -4.92 119.74 121.25 3lws s LYS 20 Ca 0.00 2.30 -0.21 0.00 -1.01 0.00 0.00 55.97 57.05 3lws s LYS 20 Cb 0.00 -3.11 0.02 0.00 -1.01 0.00 0.00 37.83 33.73 3lws s LYS 20 CO 0.00 -0.43 1.72 0.50 0.51 0.00 0.00 175.35 177.65 3lws s ARG 21 N -0.32 3.43 0.46 1.68 3.52 -1.26 -4.87 118.95 121.58 3lws s ARG 21 Ca 0.60 -1.38 0.03 0.00 -0.13 0.00 0.00 55.73 54.85 3lws s ARG 21 Cb -0.42 -5.37 -0.04 0.00 -1.56 0.00 0.00 34.95 27.56 3lws s ARG 21 CO 0.43 -2.69 0.02 0.54 -0.81 0.00 0.00 175.30 172.79 3lws s ASN 22 N 5.33 3.79 0.57 -2.12 2.20 -1.26 -5.02 114.94 118.42 3lws s ASN 22 Ca 0.56 -1.56 0.26 0.00 -0.94 0.00 0.00 52.86 51.18 3lws s ASN 22 Cb 0.01 0.23 1.62 0.00 -2.00 0.00 0.00 41.25 41.11 3lws s ASN 22 CO 0.03 -0.74 2.17 0.58 -2.94 0.00 0.00 177.10 176.20 3lws h VAL 23 N 1.57 0.64 0.00 3.54 2.07 -2.02 -1.26 116.25 120.78 3lws h VAL 23 Ca -0.43 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.09 3lws h VAL 23 Cb 1.29 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 32.00 3lws h VAL 23 CO 0.74 0.00 -0.02 1.23 0.02 0.00 0.00 177.57 179.53 3lws h GLY 24 N 0.00 0.00 0.88 2.17 0.00 -1.95 -1.22 103.07 102.94 3lws h GLY 24 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.35 3lws h GLY 24 CO -0.00 0.00 0.07 -2.08 0.00 0.00 0.00 176.54 174.53 3lws h VAL 25 N 0.00 1.19 -0.35 4.60 2.07 -1.56 -0.57 116.25 121.63 3lws h VAL 25 Ca -0.00 -0.61 -0.16 0.00 0.82 0.00 0.00 66.70 66.75 3lws h VAL 25 Cb 0.16 1.17 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 3lws h VAL 25 CO 0.00 0.20 -0.39 0.25 0.02 0.00 0.00 177.57 177.65 3lws h LEU 26 N 0.20 0.95 -0.80 2.57 5.85 -1.40 -3.01 115.31 119.67 3lws h LEU 26 Ca 0.07 -0.48 -0.10 0.00 0.84 0.00 0.00 57.88 58.22 3lws h LEU 26 Cb 0.24 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3lws h LEU 26 CO -0.00 1.24 -0.16 0.11 -0.34 0.00 0.00 178.44 179.29 3lws h LYS 27 N 0.69 0.74 -0.10 1.25 1.57 -1.28 -2.34 116.57 117.10 3lws h LYS 27 Ca 0.05 -0.26 0.01 0.00 -1.87 0.00 0.00 60.65 58.58 3lws h LYS 27 Cb 0.98 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 3lws h LYS 27 CO 0.09 0.86 0.01 1.15 -0.57 0.00 0.00 179.45 180.99 3lws h THR 28 N 0.66 0.95 -0.42 -0.16 2.02 -1.12 -1.35 112.91 113.48 3lws h THR 28 Ca 0.11 -0.02 0.03 0.00 0.77 0.00 0.00 66.41 67.30 3lws h THR 28 Cb 0.64 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.92 3lws h THR 28 CO 0.04 0.01 0.28 0.00 0.37 0.00 0.00 175.52 176.23 3lws h ALA 29 N 1.08 1.82 -0.00 6.16 0.00 -1.34 -2.88 119.26 124.10 3lws h ALA 29 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3lws h ALA 29 Cb 0.04 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.71 3lws h ALA 29 CO -0.07 0.13 -0.41 1.19 0.00 0.00 0.00 179.25 180.09 3lws n PHE 30 N -4.48 0.00 0.10 0.00 3.01 -0.79 -4.31 117.46 110.98 3lws n PHE 30 Ca 0.04 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.51 3lws n PHE 30 Cb 0.15 -0.29 0.33 0.00 -0.01 0.00 0.00 39.48 39.66 3lws n PHE 30 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3lws h ALA 31 N 3.02 1.38 -0.49 4.37 0.00 -1.04 -1.75 119.26 124.75 3lws h ALA 31 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3lws h ALA 31 Cb 0.50 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3lws h ALA 31 CO 0.00 0.43 0.00 0.00 0.00 0.00 0.00 179.25 179.68 3lws n ALA 32 N -2.48 2.85 -3.02 0.00 0.00 -1.26 -4.88 120.51 111.71 3lws n ALA 32 Ca -0.01 -1.12 -0.34 0.00 0.00 0.00 0.00 53.44 51.97 3lws n ALA 32 Cb 0.32 -1.01 -0.12 0.00 0.00 0.00 0.00 19.45 18.64 3lws n ALA 32 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3lws s VAL 33 N -1.67 3.89 0.31 0.00 1.01 -0.66 -5.09 120.40 118.20 3lws s VAL 33 Ca 0.38 -0.35 -0.29 0.00 0.00 0.00 0.00 61.98 61.72 3lws s VAL 33 Cb 0.23 -2.73 -0.10 0.00 0.00 0.00 0.00 36.38 33.79 3lws s VAL 33 CO 0.19 0.47 1.30 0.00 0.00 0.00 0.00 175.10 177.06 3lws s ALA 34 N 0.60 3.50 0.25 5.51 0.00 -1.26 -4.93 121.76 125.43 3lws s ALA 34 Ca -0.02 1.22 -0.04 0.00 0.00 0.00 0.00 51.96 53.13 3lws s ALA 34 Cb -0.14 -3.47 0.48 0.00 0.00 0.00 0.00 23.12 19.99 3lws s ALA 34 CO 0.02 -0.60 1.72 -0.44 0.00 0.00 0.00 175.76 176.47 3lws h ASP 35 N 3.66 0.25 -2.66 0.00 3.32 -1.98 -3.47 116.42 115.54 3lws h ASP 35 Ca -0.48 0.12 -0.56 0.00 0.02 0.00 0.00 57.03 56.12 3lws h ASP 35 Cb 1.22 0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.85 3lws h ASP 35 CO 0.67 0.08 1.25 -1.61 -1.72 0.00 0.00 179.24 177.91 3lws s GLU 36 N -6.01 3.27 -0.04 3.56 8.01 -1.26 -5.03 118.70 121.19 3lws s GLU 36 Ca -0.12 1.22 0.05 0.00 0.01 0.00 0.00 54.97 56.13 3lws s GLU 36 Cb 0.21 -4.20 -0.01 0.00 -4.31 0.00 0.00 34.13 25.82 3lws s GLU 36 CO 0.76 -1.94 -0.20 0.00 0.01 0.00 0.00 175.26 173.89 3lws s ALA 38 N 6.98 1.72 0.68 5.21 0.00 -1.26 -5.24 121.76 129.84 3lws s ALA 38 Ca 0.75 -0.83 -0.17 0.00 0.00 0.00 0.00 51.96 51.71 3lws s ALA 38 Cb -0.19 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.40 3lws s ALA 38 CO 0.31 0.35 1.24 0.45 0.00 0.00 0.00 175.76 178.11 3lws n SER 39 N 2.94 1.73 -4.57 0.00 2.88 -1.26 -4.65 113.62 110.68 3lws n SER 39 Ca -0.17 0.78 -0.29 0.00 -1.33 0.00 0.00 58.87 57.86 3lws n SER 39 Cb 0.53 -1.53 0.21 0.00 -0.75 0.00 0.00 64.21 62.67 3lws n SER 39 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 3lws s ASP 40 N -1.50 1.81 -0.21 -3.46 -4.77 -1.19 -4.26 116.67 103.09 3lws s ASP 40 Ca 0.80 1.75 -0.04 0.00 -3.30 0.00 0.00 52.55 51.76 3lws s ASP 40 Cb -0.37 -2.39 0.09 0.00 -1.09 0.00 0.00 42.92 39.16 3lws s ASP 40 CO 0.43 -3.72 0.18 -1.58 0.70 0.00 0.00 175.17 171.17 3lws s GLN 41 N -4.56 0.16 -1.46 2.11 0.74 -0.20 -4.52 119.66 111.93 3lws s GLN 41 Ca 0.67 0.01 -0.03 0.00 0.05 0.00 0.00 55.36 56.06 3lws s GLN 41 Cb -0.24 -1.36 0.00 0.00 1.10 0.00 0.00 33.01 32.52 3lws s GLN 41 CO 0.62 -0.73 0.23 0.66 -0.55 0.00 0.00 175.29 175.52 3lws n TYR 42 N 5.30 -1.43 -0.85 1.67 4.01 -0.21 -2.01 117.16 123.65 3lws n TYR 42 Ca -0.06 0.61 0.00 0.00 -0.16 0.00 0.00 57.90 58.29 3lws n TYR 42 Cb 0.48 -3.16 0.00 0.00 -0.31 0.00 0.00 39.34 36.35 3lws n TYR 42 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3lws n GLY 43 N -2.31 0.71 3.27 2.72 0.00 -1.26 -4.98 105.19 103.34 3lws n GLY 43 Ca -0.30 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.56 3lws n GLY 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3lws s THR 44 N -2.65 0.15 0.00 2.61 -4.23 -0.85 -4.86 115.64 105.82 3lws s THR 44 Ca 0.00 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.51 3lws s THR 44 Cb 0.00 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.32 3lws s THR 44 CO 0.00 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.69 3lws n GLY 45 N -0.44 -0.46 3.74 3.99 0.00 -1.26 -1.04 105.19 109.72 3lws n GLY 45 Ca 0.02 -1.59 -0.37 0.00 0.00 0.00 0.00 46.02 44.09 3lws n GLY 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lws s ALA 46 N -1.62 2.46 0.00 4.61 0.00 -1.26 -2.54 121.76 123.41 3lws s ALA 46 Ca 0.00 1.16 0.00 0.00 0.00 0.00 0.00 51.96 53.12 3lws s ALA 46 Cb 0.00 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.60 3lws s ALA 46 CO 0.00 -1.45 0.00 -0.89 0.00 0.00 0.00 175.76 173.42 3lws n ILE 47 N -1.75 0.00 -0.17 0.00 5.41 -1.26 -3.19 119.36 118.40 3lws n ILE 47 Ca 0.15 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.79 3lws n ILE 47 Cb 0.48 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.41 3lws n ILE 47 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 176.55 176.26 3lws h ILE 48 N 0.00 1.27 -0.17 1.39 2.10 -1.88 -2.36 117.51 117.86 3lws h ILE 48 Ca 0.00 -1.37 -0.04 0.00 1.08 0.00 0.00 64.86 64.54 3lws h ILE 48 Cb 0.00 1.09 -0.01 0.00 -1.09 0.00 0.00 36.82 36.82 3lws h ILE 48 CO 0.00 0.47 -0.03 -0.33 -1.08 0.00 0.00 178.15 177.19 3lws h GLU 49 N 0.87 0.33 -0.24 2.19 5.08 -1.71 -0.09 114.58 121.02 3lws h GLU 49 Ca 0.12 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3lws h GLU 49 Cb 0.78 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 3lws h GLU 49 CO 0.06 0.58 0.05 -1.35 -1.00 0.00 0.00 179.01 177.36 3lws h PRO 50 N 0.05 0.34 -0.09 2.33 0.11 -1.80 -0.87 132.00 132.06 3lws h PRO 50 Ca 0.05 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.98 3lws h PRO 50 Cb 0.45 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 31.50 3lws h PRO 50 CO 0.01 0.32 -0.47 0.35 -0.21 0.00 0.00 178.00 178.00 3lws h PHE 51 N 0.34 0.65 -0.75 0.65 3.04 -1.27 -1.85 116.94 117.75 3lws h PHE 51 Ca 0.08 -0.29 -0.01 0.00 3.98 0.00 0.00 57.97 61.73 3lws h PHE 51 Cb 0.14 -0.10 -0.04 0.00 2.56 0.00 0.00 35.95 38.51 3lws h PHE 51 CO 0.00 1.06 0.44 0.93 -2.02 0.00 0.00 178.31 178.72 3lws h GLU 52 N 0.06 1.02 -0.32 1.11 5.08 -0.91 -1.60 114.58 119.03 3lws h GLU 52 Ca -0.03 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.22 3lws h GLU 52 Cb 1.12 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 3lws h GLU 52 CO 0.10 0.74 0.17 1.96 -1.00 0.00 0.00 179.01 180.97 3lws h GLN 53 N 1.02 0.45 -0.42 2.33 4.20 -1.16 -0.75 115.11 120.78 3lws h GLN 53 Ca 0.27 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.92 3lws h GLN 53 Cb -0.01 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 3lws h GLN 53 CO -0.05 0.40 0.27 -0.22 -0.67 0.00 0.00 178.83 178.56 3lws h LYS 54 N 0.39 0.56 0.00 1.46 3.64 -1.19 -2.00 116.57 119.44 3lws h LYS 54 Ca 0.11 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.30 3lws h LYS 54 Cb 0.09 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.76 3lws h LYS 54 CO -0.02 0.39 -0.75 0.74 -2.27 0.00 0.00 179.45 177.54 3lws h PHE 55 N 0.57 0.00 -0.54 1.91 0.04 -1.28 0.27 116.94 117.91 3lws h PHE 55 Ca 0.15 0.00 0.09 0.00 2.80 0.00 0.00 57.97 61.02 3lws h PHE 55 Cb -0.04 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.03 3lws h PHE 55 CO -0.04 0.74 0.12 0.00 -0.60 0.00 0.00 178.31 178.52 3lws h ALA 56 N 1.26 0.62 -0.02 2.45 0.00 -1.03 -1.17 119.26 121.38 3lws h ALA 56 Ca -0.01 0.11 -0.20 0.00 0.00 0.00 0.00 54.91 54.81 3lws h ALA 56 Cb 1.57 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.50 3lws h ALA 56 CO 0.10 -0.30 -0.85 -0.44 0.00 0.00 0.00 179.25 177.76 3lws h ASP 57 N 0.26 0.36 -0.72 0.00 3.32 -0.99 -0.04 116.42 118.61 3lws h ASP 57 Ca 0.27 -0.27 0.03 0.00 0.02 0.00 0.00 57.03 57.08 3lws h ASP 57 Cb 0.38 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.78 3lws h ASP 57 CO -0.35 1.05 0.47 0.58 -1.72 0.00 0.00 179.24 179.28 3lws h VAL 58 N 0.17 1.13 -0.02 -1.35 2.07 -0.29 -3.10 116.25 114.86 3lws h VAL 58 Ca -0.05 -0.31 0.00 0.00 0.82 0.00 0.00 66.70 67.16 3lws h VAL 58 Cb 1.46 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.38 3lws h VAL 58 CO 0.14 0.16 -0.32 0.18 0.02 0.00 0.00 177.57 177.75 3lws n LEU 59 N -4.45 2.09 -2.78 2.57 4.77 -0.46 -2.99 117.00 115.76 3lws n LEU 59 Ca 0.09 -0.73 -0.05 0.00 -0.03 0.00 0.00 56.01 55.28 3lws n LEU 59 Cb 0.10 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.18 3lws n LEU 59 CO 0.35 0.37 -0.14 0.61 -1.33 0.00 0.00 177.39 177.26 3lws n GLY 60 N 1.38 -2.35 0.13 -0.72 0.00 -0.05 -4.42 105.19 99.17 3lws n GLY 60 Ca 0.11 0.97 -0.22 0.00 0.00 0.00 0.00 46.02 46.88 3lws n GLY 60 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3lws n ASP 62 N 0.04 1.98 -3.32 1.61 8.00 -1.08 -4.88 116.55 118.90 3lws n ASP 62 Ca 0.08 0.06 -0.14 0.00 0.71 0.00 0.00 54.79 55.49 3lws n ASP 62 Cb 0.30 -0.59 -0.04 0.00 -0.02 0.00 0.00 41.12 40.77 3lws n ASP 62 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3lws s ASP 63 N -6.90 0.81 -0.08 -2.24 2.15 -0.73 -4.88 116.67 104.80 3lws s ASP 63 Ca -0.36 -1.44 -0.29 0.00 0.43 0.00 0.00 52.55 50.90 3lws s ASP 63 Cb 0.11 0.65 0.07 0.00 -0.30 0.00 0.00 42.92 43.45 3lws s ASP 63 CO 0.57 -1.28 0.66 0.00 -0.17 0.00 0.00 175.17 174.94 3lws s ALA 64 N -3.14 -1.69 -0.07 3.66 0.00 -1.26 -1.93 121.76 117.33 3lws s ALA 64 Ca 0.30 1.36 0.05 0.00 0.00 0.00 0.00 51.96 53.67 3lws s ALA 64 Cb -0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 3lws s ALA 64 CO 0.19 -0.36 -0.24 0.08 0.00 0.00 0.00 175.76 175.43 3lws s VAL 65 N -0.94 2.08 -0.04 0.00 1.01 0.25 -4.79 120.40 117.96 3lws s VAL 65 Ca -0.09 -1.04 -0.30 0.00 0.00 0.00 0.00 61.98 60.55 3lws s VAL 65 Cb -0.01 -1.76 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 3lws s VAL 65 CO 0.08 0.57 1.00 0.12 0.00 0.00 0.00 175.10 176.87 3lws s PHE 66 N 0.02 3.58 0.08 5.22 5.36 -1.26 -1.04 117.98 129.94 3lws s PHE 66 Ca -0.09 1.63 0.10 0.00 -0.96 0.00 0.00 56.93 57.61 3lws s PHE 66 Cb -0.15 -3.16 -0.03 0.00 -0.34 0.00 0.00 43.02 39.33 3lws s PHE 66 CO 0.06 -0.16 -0.26 -0.06 -1.46 0.00 0.00 175.22 173.33 3lws s PHE 67 N 1.44 2.34 0.36 10.12 0.40 0.18 -4.99 117.98 127.82 3lws s PHE 67 Ca 0.51 -0.38 0.33 0.00 -0.60 0.00 0.00 56.93 56.78 3lws s PHE 67 Cb -0.20 -1.34 1.59 0.00 0.51 0.00 0.00 43.02 43.58 3lws s PHE 67 CO 0.24 0.23 2.09 -1.00 0.70 0.00 0.00 175.22 177.48 3lws h PRO 68 N 4.38 0.00 -2.76 0.24 0.13 -1.83 -0.91 132.00 131.25 3lws h PRO 68 Ca -0.48 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.56 3lws h PRO 68 Cb 1.15 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.10 3lws h PRO 68 CO 0.42 0.07 -0.07 -1.54 -0.23 0.00 0.00 178.00 176.65 3lws s SER 69 N -5.82 -0.36 0.36 1.44 1.04 -1.26 -3.24 113.70 105.85 3lws s SER 69 Ca -0.02 0.22 0.03 0.00 0.48 0.00 0.00 55.95 56.66 3lws s SER 69 Cb 0.12 0.43 0.66 0.00 0.10 0.00 0.00 66.02 67.33 3lws s SER 69 CO 0.54 -0.59 2.00 1.23 0.98 0.00 0.00 173.24 177.39 3lws h GLY 70 N 3.24 0.79 -0.56 7.32 0.00 -1.88 -1.63 103.07 110.36 3lws h GLY 70 Ca -0.30 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.71 3lws h GLY 70 CO 0.41 0.31 0.00 2.41 0.00 0.00 0.00 176.54 179.67 3lws n THR 71 N -4.42 0.00 0.00 4.70 -1.04 -1.26 0.06 114.28 112.32 3lws n THR 71 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 3lws n THR 71 Cb 0.08 -0.22 0.00 0.00 -1.82 0.00 0.00 70.33 68.36 3lws n THR 71 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3lws n ALA 73 N 0.05 0.00 0.09 2.41 0.00 -0.61 -2.87 120.51 119.57 3lws n ALA 73 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.37 3lws n ALA 73 Cb 0.00 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.49 3lws n ALA 73 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3lws h GLN 74 N 0.00 0.16 -0.57 0.00 4.20 -0.65 -1.07 115.11 117.18 3lws h GLN 74 Ca 0.00 -0.16 -0.06 0.00 0.06 0.00 0.00 58.65 58.49 3lws h GLN 74 Cb 0.00 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 3lws h GLN 74 CO 0.00 0.87 0.11 1.96 -0.67 0.00 0.00 178.83 181.10 3lws h GLN 75 N 0.10 0.93 -0.12 1.46 4.20 -1.72 -1.52 115.11 118.44 3lws h GLN 75 Ca -0.03 -0.24 -0.00 0.00 0.06 0.00 0.00 58.65 58.44 3lws h GLN 75 Cb 1.38 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 29.04 3lws h GLN 75 CO 0.12 0.88 0.06 0.28 -0.67 0.00 0.00 178.83 179.51 3lws h VAL 76 N 0.83 1.10 -0.28 -0.54 2.07 -1.81 -1.63 116.25 116.00 3lws h VAL 76 Ca 0.18 -0.28 0.06 0.00 0.82 0.00 0.00 66.70 67.47 3lws h VAL 76 Cb 0.39 1.07 -0.06 0.00 -1.52 0.00 0.00 31.29 31.17 3lws h VAL 76 CO 0.01 0.09 -0.13 0.00 0.02 0.00 0.00 177.57 177.56 3lws h ALA 77 N 0.95 0.10 -0.61 1.67 0.00 -1.10 -0.64 119.26 119.64 3lws h ALA 77 Ca 0.04 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 3lws h ALA 77 Cb 0.09 0.32 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3lws h ALA 77 CO -0.01 -0.53 0.14 -0.07 0.00 0.00 0.00 179.25 178.79 3lws h LEU 78 N -0.09 0.89 -0.81 0.00 3.38 -1.19 -2.45 115.31 115.04 3lws h LEU 78 Ca 0.15 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.82 3lws h LEU 78 Cb 0.31 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 3lws h LEU 78 CO -0.34 0.87 -0.40 -0.09 0.09 0.00 0.00 178.44 178.57 3lws h ARG 79 N 0.91 0.41 -0.47 1.13 9.65 -0.79 -1.75 114.38 123.47 3lws h ARG 79 Ca 0.19 -0.20 -0.11 0.00 -1.10 0.00 0.00 59.98 58.77 3lws h ARG 79 Cb 0.33 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.90 3lws h ARG 79 CO 0.00 0.74 -0.13 0.82 2.80 0.00 0.00 179.97 184.21 3lws h ILE 80 N 0.34 1.27 -0.19 1.20 2.04 -0.77 -1.18 117.51 120.22 3lws h ILE 80 Ca 0.03 -1.26 -0.16 0.00 1.00 0.00 0.00 64.86 64.47 3lws h ILE 80 Cb 0.85 1.12 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 3lws h ILE 80 CO 0.07 0.43 -0.56 -0.50 0.00 0.00 0.00 178.15 177.59 3lws h TRP 81 N 0.75 0.74 -0.22 1.37 -0.00 -1.32 -0.83 115.95 116.44 3lws h TRP 81 Ca 0.12 -0.27 -0.01 0.00 -0.00 0.00 0.00 58.89 58.73 3lws h TRP 81 Cb 0.68 -0.14 -0.01 0.00 -0.00 0.00 0.00 29.16 29.69 3lws h TRP 81 CO 0.05 1.01 0.09 1.03 -0.00 0.00 0.00 178.44 180.62 3lws h SER 82 N 0.45 0.30 -0.79 -3.49 0.87 -1.30 -0.46 113.55 109.13 3lws h SER 82 Ca 0.01 -0.17 0.08 0.00 -1.23 0.00 0.00 61.79 60.48 3lws h SER 82 Cb 1.11 -0.08 -0.07 0.00 -0.44 0.00 0.00 62.40 62.93 3lws h SER 82 CO 0.11 0.39 0.46 0.44 -0.53 0.00 0.00 176.83 177.69 3lws h ASP 83 N 0.20 0.67 -0.05 6.23 3.32 -1.13 -2.00 116.42 123.66 3lws h ASP 83 Ca 0.07 0.04 -0.19 0.00 0.02 0.00 0.00 57.03 56.97 3lws h ASP 83 Cb 0.18 -0.09 0.01 0.00 0.22 0.00 0.00 39.33 39.65 3lws h ASP 83 CO -0.01 0.40 -0.72 -0.08 -1.72 0.00 0.00 179.24 177.12 3lws h GLU 84 N 0.79 0.58 -0.46 3.56 4.81 -0.94 -3.25 114.58 119.68 3lws h GLU 84 Ca 0.37 -0.56 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 3lws h GLU 84 Cb 0.29 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.81 3lws h GLU 84 CO -0.22 1.18 0.00 0.25 -0.73 0.00 0.00 179.01 179.49 3lws n THR 85 N -4.08 0.67 -2.44 0.32 -2.24 -0.20 -4.93 114.28 101.38 3lws n THR 85 Ca -0.09 -0.59 -0.16 0.00 -2.27 0.00 0.00 64.05 60.94 3lws n THR 85 Cb 0.72 0.21 -0.01 0.00 -2.10 0.00 0.00 70.33 69.15 3lws n THR 85 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3lws n ASP 86 N 0.68 -4.86 -3.87 3.42 8.00 -0.82 -4.94 116.55 114.17 3lws n ASP 86 Ca 0.14 0.09 -0.18 0.00 0.71 0.00 0.00 54.79 55.55 3lws n ASP 86 Cb 0.40 -4.08 -0.16 0.00 -0.02 0.00 0.00 41.12 37.26 3lws n ASP 86 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3lws s ASN 87 N -2.05 0.70 -0.21 -2.24 3.84 -0.82 -5.04 114.94 109.12 3lws s ASN 87 Ca 0.01 -0.09 0.12 0.00 0.21 0.00 0.00 52.86 53.11 3lws s ASN 87 Cb -0.00 -0.33 0.70 0.00 -0.55 0.00 0.00 41.25 41.07 3lws s ASN 87 CO 0.01 -0.06 1.58 0.54 -2.79 0.00 0.00 177.10 176.38 3lws n ARG 88 N 3.96 4.26 -4.77 0.43 5.12 -1.26 -4.41 116.66 119.99 3lws n ARG 88 Ca -0.25 -2.70 -0.24 0.00 -1.93 0.00 0.00 57.85 52.73 3lws n ARG 88 Cb 0.51 -2.16 -0.15 0.00 -1.16 0.00 0.00 32.46 29.50 3lws n ARG 88 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 3lws s THR 89 N -2.53 1.30 0.22 0.55 2.01 -1.26 -0.08 115.64 115.85 3lws s THR 89 Ca 0.47 -0.69 0.06 0.00 0.31 0.00 0.00 61.69 61.84 3lws s THR 89 Cb 0.36 -1.09 -0.05 0.00 0.01 0.00 0.00 72.50 71.73 3lws s THR 89 CO 0.13 0.37 -0.09 0.68 -0.69 0.00 0.00 174.62 175.02 3lws s VAL 90 N -0.28 1.50 0.03 3.82 -7.23 -0.30 0.44 120.40 118.38 3lws s VAL 90 Ca 0.04 -2.13 0.03 0.00 -1.81 0.00 0.00 61.98 58.10 3lws s VAL 90 Cb -0.07 -2.17 -0.02 0.00 0.56 0.00 0.00 36.38 34.68 3lws s VAL 90 CO -0.00 -0.50 -0.08 0.00 -0.31 0.00 0.00 175.10 174.21 3lws s ALA 91 N -3.11 0.65 0.21 1.32 0.00 -0.83 -1.05 121.76 118.95 3lws s ALA 91 Ca 0.24 -0.60 -0.23 0.00 0.00 0.00 0.00 51.96 51.38 3lws s ALA 91 Cb 0.02 -0.05 0.05 0.00 0.00 0.00 0.00 23.12 23.14 3lws s ALA 91 CO 0.07 0.07 0.90 1.52 0.00 0.00 0.00 175.76 178.33 3lws s TYR 92 N -0.85 -0.09 0.59 0.00 -0.85 -0.89 -1.57 117.35 113.69 3lws s TYR 92 Ca -0.04 -0.31 -0.20 0.00 -0.52 0.00 0.00 57.07 56.00 3lws s TYR 92 Cb -0.07 0.69 -0.03 0.00 0.38 0.00 0.00 41.96 42.93 3lws s TYR 92 CO 0.00 -1.02 1.33 -1.58 -1.52 0.00 0.00 175.55 172.76 3lws s HIS 93 N -3.16 2.19 0.61 -3.49 5.65 -1.26 -1.22 115.29 114.61 3lws s HIS 93 Ca 0.14 1.42 0.29 0.00 0.25 0.00 0.00 55.06 57.16 3lws s HIS 93 Cb -0.03 -3.76 1.58 0.00 -1.18 0.00 0.00 32.58 29.19 3lws s HIS 93 CO 0.05 -2.92 1.96 -1.35 -0.65 0.00 0.00 174.74 171.83 3lws h PRO 94 N 1.06 0.00 -0.30 2.88 0.11 -1.82 -1.59 132.00 132.34 3lws h PRO 94 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3lws h PRO 94 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3lws h PRO 94 CO 0.55 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.62 3lws n LEU 95 N -3.53 3.99 -4.59 2.35 4.77 -1.26 -4.80 117.00 113.93 3lws n LEU 95 Ca 0.04 -2.92 -0.45 0.00 -0.03 0.00 0.00 56.01 52.65 3lws n LEU 95 Cb 0.50 -0.53 -0.02 0.00 -2.33 0.00 0.00 43.42 41.04 3lws n LEU 95 CO 0.24 0.68 0.64 0.00 -1.33 0.00 0.00 177.39 177.62 3lws h HIS 97 N 2.46 0.92 0.00 0.00 2.76 -1.94 -0.58 115.15 118.77 3lws h HIS 97 Ca -0.41 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 57.75 3lws h HIS 97 Cb 1.34 -0.28 -0.01 0.00 1.55 0.00 0.00 27.41 30.01 3lws h HIS 97 CO 0.50 0.26 -0.17 -0.07 -1.30 0.00 0.00 177.93 177.15 3lws h LEU 98 N 0.71 0.00 0.16 0.26 4.07 -1.95 -1.39 115.31 117.15 3lws h LEU 98 Ca 0.52 0.00 -0.24 0.00 0.08 0.00 0.00 57.88 58.24 3lws h LEU 98 Cb 0.88 0.00 0.03 0.00 1.08 0.00 0.00 40.66 42.65 3lws h LEU 98 CO -0.29 0.17 -1.05 -0.08 -1.08 0.00 0.00 178.44 176.11 3lws h GLU 99 N 0.00 0.43 -0.00 1.13 4.57 -1.46 -3.41 114.58 115.84 3lws h GLU 99 Ca -0.00 -0.68 0.00 0.00 -1.18 0.00 0.00 59.36 57.50 3lws h GLU 99 Cb 0.63 0.24 0.00 0.00 -0.16 0.00 0.00 28.75 29.46 3lws h GLU 99 CO 0.02 1.31 -0.07 0.44 -1.18 0.00 0.00 179.01 179.53 3lws n ILE 100 N -3.97 0.00 -0.37 2.32 -5.35 -1.02 -4.66 119.36 106.30 3lws n ILE 100 Ca -0.14 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 61.87 3lws n ILE 100 Cb 0.91 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.82 3lws n ILE 100 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 3lws n HIS 101 N -0.74 0.00 -0.75 4.28 8.25 -0.53 -4.74 115.22 120.99 3lws n HIS 101 Ca 0.01 -0.29 0.05 0.00 -0.26 0.00 0.00 57.72 57.23 3lws n HIS 101 Cb 0.04 -0.03 0.08 0.00 1.12 0.00 0.00 29.99 31.20 3lws n HIS 101 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3lws n GLU 102 N -0.29 1.75 -3.42 -0.41 1.02 -1.23 -4.98 120.64 113.08 3lws n GLU 102 Ca 0.00 -2.02 -0.25 0.00 -0.02 0.00 0.00 57.16 54.87 3lws n GLU 102 Cb 0.33 -1.22 0.02 0.00 -0.02 0.00 0.00 31.44 30.55 3lws n GLU 102 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3lws n GLN 103 N -0.96 -4.84 -2.30 3.49 1.13 -1.26 -1.64 117.38 111.00 3lws n GLN 103 Ca 0.09 0.68 -0.18 0.00 -1.94 0.00 0.00 57.00 55.65 3lws n GLN 103 Cb 0.50 -5.52 -0.01 0.00 0.11 0.00 0.00 30.24 25.32 3lws n GLN 103 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3lws n ASP 104 N -2.57 -5.22 -0.30 1.08 8.00 -1.26 -4.91 116.55 111.37 3lws n ASP 104 Ca -0.03 0.01 0.09 0.00 0.71 0.00 0.00 54.79 55.57 3lws n ASP 104 Cb 0.56 -4.29 0.26 0.00 -0.02 0.00 0.00 41.12 37.63 3lws n ASP 104 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3lws h GLY 105 N 0.00 1.44 0.91 0.44 0.00 -1.58 -0.87 103.07 103.42 3lws h GLY 105 Ca -0.42 -0.22 -0.02 0.00 0.00 0.00 0.00 47.33 46.67 3lws h GLY 105 CO 0.50 -0.12 0.11 -2.00 0.00 0.00 0.00 176.54 175.04 3lws h LEU 106 N 0.54 0.38 -0.77 3.11 5.85 -1.86 0.12 115.31 122.68 3lws h LEU 106 Ca 0.50 -0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.98 3lws h LEU 106 Cb 0.81 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 3lws h LEU 106 CO -0.42 0.44 -0.39 0.11 -0.34 0.00 0.00 178.44 177.83 3lws h LYS 107 N 0.30 0.00 0.21 1.25 1.57 -1.66 -1.45 116.57 116.79 3lws h LYS 107 Ca 0.09 0.00 -0.33 0.00 -1.87 0.00 0.00 60.65 58.54 3lws h LYS 107 Cb 0.17 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.50 3lws h LYS 107 CO -0.01 0.39 -1.56 0.93 -0.57 0.00 0.00 179.45 178.63 3lws h GLU 108 N 0.00 0.44 -0.00 3.15 4.39 -1.01 -3.37 114.58 118.17 3lws h GLU 108 Ca -0.00 -0.75 0.00 0.00 0.34 0.00 0.00 59.36 58.95 3lws h GLU 108 Cb 0.98 0.28 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 3lws h GLU 108 CO 0.05 1.35 -0.62 1.28 -1.16 0.00 0.00 179.01 179.91 3lws n LEU 109 N -3.63 1.04 -3.87 1.33 4.77 0.41 -4.94 117.00 112.11 3lws n LEU 109 Ca -0.19 -0.35 -0.11 0.00 -0.03 0.00 0.00 56.01 55.33 3lws n LEU 109 Cb 1.08 -0.10 -0.11 0.00 -2.33 0.00 0.00 43.42 41.97 3lws n LEU 109 CO 0.56 0.23 -0.21 -1.00 -1.33 0.00 0.00 177.39 175.63 3lws s HIS 110 N -2.81 0.01 -0.94 -1.77 3.76 -0.55 -5.05 115.29 107.94 3lws s HIS 110 Ca 0.14 -0.03 -0.07 0.00 -0.15 0.00 0.00 55.06 54.95 3lws s HIS 110 Cb 0.17 -0.04 -0.08 0.00 1.11 0.00 0.00 32.58 33.75 3lws s HIS 110 CO 0.70 -0.20 3.01 -0.35 -0.85 0.00 0.00 174.74 177.05 3lws n PRO 111 N 2.00 3.22 -5.20 8.40 -0.04 -1.26 -4.37 135.00 137.75 3lws n PRO 111 Ca -0.19 -2.14 -0.32 0.00 -0.04 0.00 0.00 63.50 60.81 3lws n PRO 111 Cb 0.57 -2.45 -0.16 0.00 -0.04 0.00 0.00 33.50 31.42 3lws n PRO 111 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3lws s ILE 112 N 0.53 2.22 0.14 0.52 1.01 -1.26 -4.83 121.20 119.53 3lws s ILE 112 Ca 0.64 -1.01 0.06 0.00 0.00 0.00 0.00 60.65 60.35 3lws s ILE 112 Cb 0.25 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 3lws s ILE 112 CO -0.07 0.57 0.00 -1.61 0.00 0.00 0.00 174.94 173.83 3lws s GLU 113 N -0.18 2.47 -0.03 2.79 2.02 0.88 -4.58 118.70 122.07 3lws s GLU 113 Ca -0.03 -0.99 0.06 0.00 0.02 0.00 0.00 54.97 54.04 3lws s GLU 113 Cb -0.14 -2.44 -0.01 0.00 0.10 0.00 0.00 34.13 31.64 3lws s GLU 113 CO 0.03 0.49 -0.20 0.95 0.02 0.00 0.00 175.26 176.56 3lws s THR 114 N -1.54 1.61 -0.20 3.63 -4.23 -1.26 -1.15 115.64 112.50 3lws s THR 114 Ca 0.27 -0.85 -0.08 0.00 -1.18 0.00 0.00 61.69 59.85 3lws s THR 114 Cb -0.10 -1.35 -0.04 0.00 1.34 0.00 0.00 72.50 72.35 3lws s THR 114 CO 0.18 0.46 0.07 -0.63 -0.54 0.00 0.00 174.62 174.16 3lws s ILE 115 N -0.31 4.74 -0.41 2.99 1.01 -0.22 -4.94 121.20 124.06 3lws s ILE 115 Ca 0.04 -0.04 -0.19 0.00 0.00 0.00 0.00 60.65 60.46 3lws s ILE 115 Cb -0.09 -3.16 0.01 0.00 0.01 0.00 0.00 42.46 39.23 3lws s ILE 115 CO 0.00 0.42 0.53 -0.76 0.00 0.00 0.00 174.94 175.14 3lws s LEU 116 N 0.69 4.59 -0.20 2.97 1.43 -1.26 -2.09 118.68 124.81 3lws s LEU 116 Ca 0.04 -0.37 -0.13 0.00 -1.03 0.00 0.00 54.13 52.64 3lws s LEU 116 Cb -0.13 -2.56 -0.05 0.00 0.03 0.00 0.00 46.19 43.48 3lws s LEU 116 CO 0.02 -0.62 0.24 -0.69 0.23 0.00 0.00 176.35 175.53 3lws s VAL 117 N 2.44 5.32 0.05 -1.59 1.01 -0.36 -4.80 120.40 122.48 3lws s VAL 117 Ca 0.18 0.40 0.00 0.00 0.00 0.00 0.00 61.98 62.56 3lws s VAL 117 Cb -0.16 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.64 3lws s VAL 117 CO 0.15 0.36 0.00 0.61 0.00 0.00 0.00 175.10 176.22 3lws n GLY 118 N 3.80 -1.84 3.91 4.51 0.00 -1.26 -4.32 105.19 109.99 3lws n GLY 118 Ca -0.13 -1.31 -0.28 0.00 0.00 0.00 0.00 46.02 44.30 3lws n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lws s ALA 119 N -1.42 3.62 -0.38 4.61 0.00 -1.26 -4.64 121.76 122.29 3lws s ALA 119 Ca 0.00 -0.57 0.26 0.00 0.00 0.00 0.00 51.96 51.65 3lws s ALA 119 Cb 0.00 -2.30 1.03 0.00 0.00 0.00 0.00 23.12 21.85 3lws s ALA 119 CO 0.00 0.23 1.77 0.00 0.00 0.00 0.00 175.76 177.76 3lws h ALA 120 N 1.64 1.00 -0.02 0.00 0.00 -1.97 -3.15 119.26 116.76 3lws h ALA 120 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3lws h ALA 120 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3lws h ALA 120 CO 0.66 0.00 -0.00 -0.40 0.00 0.00 0.00 179.25 179.51 3lws n ASP 121 N -2.45 2.28 -4.00 0.00 5.75 -1.26 -4.83 116.55 112.04 3lws n ASP 121 Ca 0.02 -1.64 -0.12 0.00 -0.01 0.00 0.00 54.79 53.05 3lws n ASP 121 Cb 0.27 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.29 3lws n ASP 121 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3lws s ARG 122 N -1.28 1.42 0.00 0.11 1.70 -1.19 -4.97 118.95 114.74 3lws s ARG 122 Ca 0.18 -1.52 0.00 0.00 -0.47 0.00 0.00 55.73 53.92 3lws s ARG 122 Cb 0.13 0.36 0.00 0.00 -0.57 0.00 0.00 34.95 34.87 3lws s ARG 122 CO 0.19 -0.53 0.00 1.28 -1.08 0.00 0.00 175.30 175.16 3lws n LEU 123 N -0.35 0.00 -4.13 -1.89 4.77 -1.26 -4.48 117.00 109.65 3lws n LEU 123 Ca 0.01 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.90 3lws n LEU 123 Cb 0.64 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.63 3lws n LEU 123 CO 0.29 0.00 -0.29 0.42 -1.33 0.00 0.00 177.39 176.47 3lws s THR 125 N 0.00 0.12 0.23 -5.08 -4.23 -1.26 -4.76 115.64 100.66 3lws s THR 125 Ca 0.00 -1.86 -0.08 0.00 -1.18 0.00 0.00 61.69 58.57 3lws s THR 125 Cb 0.00 -1.93 0.20 0.00 1.34 0.00 0.00 72.50 72.11 3lws s THR 125 CO 0.00 -0.56 1.89 0.25 -0.54 0.00 0.00 174.62 175.66 3lws h LEU 126 N 2.91 0.95 -1.09 4.79 5.85 -1.99 -2.26 115.31 124.47 3lws h LEU 126 Ca -0.35 -0.02 0.14 0.00 0.84 0.00 0.00 57.88 58.49 3lws h LEU 126 Cb 1.19 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 41.90 3lws h LEU 126 CO 0.60 0.68 0.62 0.44 -0.34 0.00 0.00 178.44 180.43 3lws h ASP 127 N 1.12 0.83 0.09 1.25 3.32 -2.04 0.22 116.42 121.21 3lws h ASP 127 Ca 0.32 0.05 -0.13 0.00 0.02 0.00 0.00 57.03 57.29 3lws h ASP 127 Cb -0.08 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.35 3lws h ASP 127 CO -0.08 0.41 -0.45 -0.33 -1.72 0.00 0.00 179.24 177.07 3lws h GLU 128 N 0.88 0.44 -0.34 3.56 5.08 -1.85 -2.19 114.58 120.15 3lws h GLU 128 Ca 0.50 -0.23 -0.15 0.00 -1.00 0.00 0.00 59.36 58.48 3lws h GLU 128 Cb 0.62 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 3lws h GLU 128 CO -0.27 0.80 -0.38 0.82 -1.00 0.00 0.00 179.01 178.99 3lws h ILE 129 N 0.35 1.28 0.00 3.13 2.04 -0.77 -3.10 117.51 120.45 3lws h ILE 129 Ca 0.02 -1.55 -0.02 0.00 1.00 0.00 0.00 64.86 64.31 3lws h ILE 129 Cb 0.93 1.49 -0.00 0.00 -0.74 0.00 0.00 36.82 38.50 3lws h ILE 129 CO 0.08 0.51 -0.10 0.11 0.00 0.00 0.00 178.15 178.75 3lws h LYS 130 N 0.64 0.00 -0.01 2.37 1.57 -0.55 -2.37 116.57 118.22 3lws h LYS 130 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3lws h LYS 130 Cb 0.97 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.28 3lws h LYS 130 CO 0.09 0.10 -0.01 0.00 -0.57 0.00 0.00 179.45 179.06 3lws n ALA 131 N -2.17 2.65 -1.77 3.86 0.00 -0.83 -4.91 120.51 117.34 3lws n ALA 131 Ca -0.00 -0.29 -0.37 0.00 0.00 0.00 0.00 53.44 52.78 3lws n ALA 131 Cb 0.31 -1.38 -0.00 0.00 0.00 0.00 0.00 19.45 18.38 3lws n ALA 131 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3lws s LEU 132 N -2.05 3.95 0.00 0.00 1.43 -0.90 -5.06 118.68 116.05 3lws s LEU 132 Ca 0.42 2.34 -0.03 0.00 -1.03 0.00 0.00 54.13 55.83 3lws s LEU 132 Cb 0.21 -4.30 0.05 0.00 0.03 0.00 0.00 46.19 42.18 3lws s LEU 132 CO 0.37 -1.05 0.22 -0.81 0.23 0.00 0.00 176.35 175.31 3lws n PRO 133 N -0.69 -0.77 -2.09 1.29 -0.04 -1.26 -4.96 135.00 126.48 3lws n PRO 133 Ca 0.08 -0.35 -0.43 0.00 -0.04 0.00 0.00 63.50 62.77 3lws n PRO 133 Cb 0.48 -0.27 -0.03 0.00 -0.04 0.00 0.00 33.50 33.65 3lws n PRO 133 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3lws s ASP 134 N -1.96 6.26 0.28 3.54 1.11 -1.26 -4.99 116.67 119.66 3lws s ASP 134 Ca 0.13 1.54 0.12 0.00 0.18 0.00 0.00 52.55 54.52 3lws s ASP 134 Cb -0.01 -2.53 -0.05 0.00 1.07 0.00 0.00 42.92 41.40 3lws s ASP 134 CO 0.10 -1.37 -0.17 0.27 1.18 0.00 0.00 175.17 175.18 3lws s ILE 135 N 5.59 2.59 0.08 0.77 -4.36 -1.26 -4.87 121.20 119.74 3lws s ILE 135 Ca 0.73 -2.33 -0.22 0.00 -0.26 0.00 0.00 60.65 58.57 3lws s ILE 135 Cb -0.24 -2.39 -0.13 0.00 1.25 0.00 0.00 42.46 40.95 3lws s ILE 135 CO 0.31 -0.39 1.68 0.00 0.24 0.00 0.00 174.94 176.78 3lws h ALA 136 N 2.21 0.09 -2.06 2.27 0.00 -0.23 -3.42 119.26 118.12 3lws h ALA 136 Ca -0.41 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 3lws h ALA 136 Cb 1.26 -0.03 -0.21 0.00 0.00 0.00 0.00 17.79 18.81 3lws h ALA 136 CO 0.61 -0.38 0.05 0.00 0.00 0.00 0.00 179.25 179.53 3lws s LEU 138 N 0.93 4.08 -0.23 0.00 2.96 0.12 -1.96 118.68 124.58 3lws s LEU 138 Ca -0.04 0.12 -0.10 0.00 -0.22 0.00 0.00 54.13 53.89 3lws s LEU 138 Cb -0.05 -2.08 -0.05 0.00 0.50 0.00 0.00 46.19 44.51 3lws s LEU 138 CO -0.08 0.10 0.14 -0.22 -1.32 0.00 0.00 176.35 174.97 3lws s LEU 139 N 0.86 4.08 0.01 -0.68 0.20 -0.61 -1.37 118.68 121.17 3lws s LEU 139 Ca 0.07 0.12 0.04 0.00 0.69 0.00 0.00 54.13 55.05 3lws s LEU 139 Cb -0.13 -2.08 -0.03 0.00 -0.43 0.00 0.00 46.19 43.52 3lws s LEU 139 CO 0.03 0.09 -0.11 -0.76 -0.29 0.00 0.00 176.35 175.31 3lws s LEU 140 N 0.89 2.98 -0.22 -0.68 1.43 -0.59 -4.42 118.68 118.06 3lws s LEU 140 Ca 0.07 -0.23 -0.03 0.00 -1.03 0.00 0.00 54.13 52.91 3lws s LEU 140 Cb -0.13 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.38 3lws s LEU 140 CO 0.03 0.28 -0.06 -0.70 0.23 0.00 0.00 176.35 176.13 3lws s GLU 141 N -1.40 3.24 -0.29 1.70 2.12 -1.26 0.51 118.70 123.32 3lws s GLU 141 Ca 0.16 -0.71 -0.05 0.00 0.36 0.00 0.00 54.97 54.73 3lws s GLU 141 Cb -0.11 -2.98 0.02 0.00 0.26 0.00 0.00 34.13 31.32 3lws s GLU 141 CO 0.07 -0.24 0.04 -0.51 -0.54 0.00 0.00 175.26 174.07 3lws s LEU 142 N 1.44 3.70 0.85 2.70 1.43 -1.00 -2.37 118.68 125.42 3lws s LEU 142 Ca 0.05 -0.81 -0.12 0.00 -1.03 0.00 0.00 54.13 52.21 3lws s LEU 142 Cb -0.15 -1.81 0.10 0.00 0.03 0.00 0.00 46.19 44.37 3lws s LEU 142 CO -0.04 -0.19 1.18 -2.16 0.23 0.00 0.00 176.35 175.37 3lws s PRO 143 N 1.43 1.63 -0.96 1.29 0.04 -1.26 -3.84 135.00 133.33 3lws s PRO 143 Ca 0.01 0.12 -0.24 0.00 0.04 0.00 0.00 61.00 60.93 3lws s PRO 143 Cb -0.17 -1.91 -0.08 0.00 0.04 0.00 0.00 34.50 32.37 3lws s PRO 143 CO 0.00 -1.83 2.02 -1.14 0.04 0.00 0.00 177.00 176.10 3lws s GLN 144 N -5.52 2.31 0.17 4.56 2.00 -0.37 -4.85 119.66 117.95 3lws s GLN 144 Ca 0.63 -0.39 -0.16 0.00 -2.00 0.00 0.00 55.36 53.45 3lws s GLN 144 Cb -0.12 -5.06 0.11 0.00 0.80 0.00 0.00 33.01 28.75 3lws s GLN 144 CO 0.50 -3.82 1.70 -0.09 -0.50 0.00 0.00 175.29 173.08 3lws h ARG 145 N 11.15 0.11 0.00 1.67 1.12 -1.86 -1.52 114.38 125.04 3lws h ARG 145 Ca 0.11 -0.01 -0.00 0.00 -1.11 0.00 0.00 59.98 58.97 3lws h ARG 145 Cb 0.99 -0.02 -0.00 0.00 -0.01 0.00 0.00 29.97 30.92 3lws h ARG 145 CO 1.17 0.07 -0.02 0.93 -3.11 0.00 0.00 179.97 179.01 3lws h GLU 146 N 0.11 0.00 -0.97 0.20 4.39 -1.89 -1.19 114.58 115.24 3lws h GLU 146 Ca 0.20 0.00 -0.63 0.00 0.34 0.00 0.00 59.36 59.27 3lws h GLU 146 Cb 0.28 0.00 -0.35 0.00 -0.10 0.00 0.00 28.75 28.58 3lws h GLU 146 CO -0.33 0.02 0.18 0.44 -1.16 0.00 0.00 179.01 178.16 3lws n ILE 147 N -3.55 3.17 0.00 3.13 -5.35 -0.99 -4.92 119.36 110.85 3lws n ILE 147 Ca -0.03 -3.56 0.00 0.00 -0.27 0.00 0.00 62.75 58.90 3lws n ILE 147 Cb 0.10 -1.16 0.00 0.00 -1.74 0.00 0.00 39.64 36.84 3lws n ILE 147 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3lws n GLY 148 N -0.81 1.61 0.00 3.28 0.00 -0.45 -4.25 105.19 104.57 3lws n GLY 148 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.56 3lws n GLY 148 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lws n GLY 149 N -2.00 0.63 3.79 -0.02 0.00 -0.61 -3.63 105.19 103.35 3lws n GLY 149 Ca 0.00 -0.27 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 3lws n GLY 149 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3lws s VAL 150 N -1.31 4.57 0.01 1.61 -7.23 -1.22 -4.47 120.40 112.36 3lws s VAL 150 Ca 0.00 -0.78 -0.02 0.00 -1.81 0.00 0.00 61.98 59.37 3lws s VAL 150 Cb 0.00 -3.22 -0.01 0.00 0.56 0.00 0.00 36.38 33.71 3lws s VAL 150 CO 0.00 0.10 0.02 0.00 -0.31 0.00 0.00 175.10 174.91 3lws s ALA 151 N -1.43 -0.02 0.87 1.32 0.00 -1.26 -1.24 121.76 119.99 3lws s ALA 151 Ca 0.30 -0.44 -0.12 0.00 0.00 0.00 0.00 51.96 51.70 3lws s ALA 151 Cb -0.12 0.14 0.11 0.00 0.00 0.00 0.00 23.12 23.25 3lws s ALA 151 CO 0.22 -0.17 1.11 -1.25 0.00 0.00 0.00 175.76 175.67 3lws s PRO 152 N -1.41 1.51 0.52 0.00 0.05 -1.26 -5.02 135.00 129.38 3lws s PRO 152 Ca -0.15 0.54 -0.19 0.00 0.05 0.00 0.00 61.00 61.24 3lws s PRO 152 Cb -0.09 -1.86 -0.07 0.00 0.05 0.00 0.00 34.50 32.53 3lws s PRO 152 CO -0.00 -2.00 1.06 0.00 0.05 0.00 0.00 177.00 176.12 3lws s ALA 153 N -3.15 2.80 0.27 8.56 0.00 -1.26 -4.89 121.76 124.10 3lws s ALA 153 Ca 0.63 0.64 -0.00 0.00 0.00 0.00 0.00 51.96 53.22 3lws s ALA 153 Cb -0.15 -3.28 0.62 0.00 0.00 0.00 0.00 23.12 20.31 3lws s ALA 153 CO 0.55 -0.50 1.68 0.35 0.00 0.00 0.00 175.76 177.83 3lws h PHE 154 N 1.32 0.42 -0.12 0.00 3.57 -1.96 0.86 116.94 121.03 3lws h PHE 154 Ca -0.49 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.00 3lws h PHE 154 Cb 1.23 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.91 3lws h PHE 154 CO 0.55 -0.11 -0.15 0.66 -2.23 0.00 0.00 178.31 177.04 3lws h SER 155 N 0.30 0.18 -0.21 0.41 4.64 -1.99 0.21 113.55 117.08 3lws h SER 155 Ca 0.50 -0.04 -0.03 0.00 -0.47 0.00 0.00 61.79 61.75 3lws h SER 155 Cb 0.94 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.97 3lws h SER 155 CO -0.56 0.35 0.02 -0.33 -0.87 0.00 0.00 176.83 175.44 3lws h GLU 156 N 0.18 0.37 -0.44 4.77 5.08 -1.23 -2.53 114.58 120.79 3lws h GLU 156 Ca 0.04 -0.11 0.05 0.00 -1.00 0.00 0.00 59.36 58.33 3lws h GLU 156 Cb 0.38 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.55 3lws h GLU 156 CO 0.02 0.54 0.19 -0.07 -1.00 0.00 0.00 179.01 178.69 3lws h LEU 157 N 0.15 0.24 -1.03 1.33 3.38 -0.59 -1.00 115.31 117.80 3lws h LEU 157 Ca 0.06 0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.20 3lws h LEU 157 Cb 0.36 -0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.03 3lws h LEU 157 CO 0.01 0.18 0.63 -0.33 0.09 0.00 0.00 178.44 179.01 3lws h GLU 158 N 0.38 0.93 -0.53 1.13 5.08 -0.93 0.82 114.58 121.46 3lws h GLU 158 Ca 0.20 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 3lws h GLU 158 Cb 0.15 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 3lws h GLU 158 CO -0.17 0.61 0.24 1.15 -1.00 0.00 0.00 179.01 179.84 3lws h THR 159 N 0.96 1.20 -0.49 1.13 2.02 -0.87 -1.94 112.91 114.92 3lws h THR 159 Ca 0.50 -0.59 -0.08 0.00 0.77 0.00 0.00 66.41 67.01 3lws h THR 159 Cb 0.55 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 3lws h THR 159 CO -0.27 0.23 -0.02 0.40 0.37 0.00 0.00 175.52 176.23 3lws h ILE 160 N 0.71 1.26 0.03 3.11 2.04 -0.22 -1.45 117.51 122.99 3lws h ILE 160 Ca 0.18 -1.11 0.03 0.00 1.00 0.00 0.00 64.86 64.96 3lws h ILE 160 Cb 0.14 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 3lws h ILE 160 CO -0.02 0.39 -0.29 -1.28 0.00 0.00 0.00 178.15 176.95 3lws h SER 161 N 0.74 -0.85 -0.64 1.72 0.87 -0.82 -0.52 113.55 114.05 3lws h SER 161 Ca 0.14 0.11 -0.07 0.00 -1.23 0.00 0.00 61.79 60.73 3lws h SER 161 Cb 0.54 0.34 -0.03 0.00 -0.44 0.00 0.00 62.40 62.82 3lws h SER 161 CO 0.03 -0.36 0.11 -0.09 -0.53 0.00 0.00 176.83 175.99 3lws h ARG 162 N -0.45 1.06 0.03 2.24 2.43 -1.21 -1.33 114.38 117.14 3lws h ARG 162 Ca 0.05 -0.28 -0.00 0.00 -0.81 0.00 0.00 59.98 58.94 3lws h ARG 162 Cb 0.52 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 3lws h ARG 162 CO -0.23 0.98 -0.01 -0.92 -1.51 0.00 0.00 179.97 178.28 3lws h TYR 163 N 0.98 -0.04 -0.05 2.20 3.20 -1.12 -1.16 116.97 120.98 3lws h TYR 163 Ca 0.20 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.08 3lws h TYR 163 Cb 0.43 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.70 3lws h TYR 163 CO 0.03 0.07 -0.02 0.00 -1.64 0.00 0.00 178.16 176.60 3lws h ARG 165 N -0.02 0.04 0.00 0.00 2.43 -1.19 0.14 114.38 115.78 3lws h ARG 165 Ca 0.03 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.13 3lws h ARG 165 Cb 0.06 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 3lws h ARG 165 CO -0.06 0.03 -0.31 1.49 -1.51 0.00 0.00 179.97 179.60 3lws h GLU 166 N 0.04 0.00 -0.01 0.20 4.57 -1.02 -2.89 114.58 115.48 3lws h GLU 166 Ca 0.22 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.40 3lws h GLU 166 Cb 0.33 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 3lws h GLU 166 CO -0.43 0.31 -0.08 0.54 -1.18 0.00 0.00 179.01 178.18 3lws n ARG 167 N -3.50 1.04 -2.17 1.92 1.74 -0.06 -4.94 116.66 110.69 3lws n ARG 167 Ca -0.00 -0.43 -0.15 0.00 -0.77 0.00 0.00 57.85 56.50 3lws n ARG 167 Cb 0.47 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.41 3lws n ARG 167 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3lws n GLY 168 N 1.21 -0.02 3.59 -0.13 0.00 0.28 -5.00 105.19 105.12 3lws n GLY 168 Ca 0.17 -0.28 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 3lws n GLY 168 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lws s ILE 169 N -2.71 5.28 0.33 -0.61 1.01 -0.45 -4.93 121.20 119.12 3lws s ILE 169 Ca 0.00 0.26 -0.29 0.00 0.00 0.00 0.00 60.65 60.62 3lws s ILE 169 Cb 0.00 -3.57 -0.10 0.00 0.01 0.00 0.00 42.46 38.80 3lws s ILE 169 CO 0.00 0.23 1.32 -0.13 0.00 0.00 0.00 174.94 176.36 3lws s ARG 170 N 1.83 4.34 -0.20 2.79 1.81 -1.01 -4.08 118.95 124.42 3lws s ARG 170 Ca 0.09 2.24 -0.02 0.00 -1.72 0.00 0.00 55.73 56.32 3lws s ARG 170 Cb -0.16 -3.06 0.00 0.00 -0.45 0.00 0.00 34.95 31.28 3lws s ARG 170 CO 0.11 -0.22 -0.10 -1.17 -0.68 0.00 0.00 175.30 173.24 3lws s LEU 171 N -1.78 2.60 -0.07 2.53 2.96 -1.26 0.11 118.68 123.77 3lws s LEU 171 Ca 0.49 -0.49 0.04 0.00 -0.22 0.00 0.00 54.13 53.95 3lws s LEU 171 Cb -0.40 -1.64 -0.02 0.00 0.50 0.00 0.00 46.19 44.63 3lws s LEU 171 CO 0.53 -0.01 -0.18 -2.28 -1.32 0.00 0.00 176.35 173.09 3lws s HIS 172 N 1.40 2.63 -0.27 5.38 5.65 -0.47 -0.61 115.29 128.99 3lws s HIS 172 Ca 0.05 -0.43 -0.11 0.00 0.25 0.00 0.00 55.06 54.82 3lws s HIS 172 Cb -0.14 -1.66 -0.05 0.00 -1.18 0.00 0.00 32.58 29.56 3lws s HIS 172 CO -0.07 -0.02 0.18 -1.17 -0.65 0.00 0.00 174.74 173.00 3lws s LEU 173 N -0.34 3.99 -0.79 8.88 2.96 -0.50 -1.54 118.68 131.34 3lws s LEU 173 Ca 0.03 -0.01 -0.26 0.00 -0.22 0.00 0.00 54.13 53.66 3lws s LEU 173 Cb -0.13 -2.10 0.03 0.00 0.50 0.00 0.00 46.19 44.50 3lws s LEU 173 CO 0.02 -0.04 1.31 -0.62 -1.32 0.00 0.00 176.35 175.70 3lws s ASP 174 N 1.67 6.23 -0.52 3.68 -1.08 0.18 -0.95 116.67 125.88 3lws s ASP 174 Ca 0.07 -0.65 0.02 0.00 -0.52 0.00 0.00 52.55 51.47 3lws s ASP 174 Cb -0.16 -2.56 0.52 0.00 -1.46 0.00 0.00 42.92 39.26 3lws s ASP 174 CO 0.10 -1.77 1.84 0.61 0.52 0.00 0.00 175.17 176.47 3lws n GLY 175 N 5.66 5.44 0.36 2.66 0.00 0.78 -2.38 105.19 117.71 3lws n GLY 175 Ca 0.09 -1.89 0.14 0.00 0.00 0.00 0.00 46.02 44.36 3lws n GLY 175 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lws h ALA 176 N 1.62 1.72 -1.07 4.61 0.00 -1.83 -2.32 119.26 122.00 3lws h ALA 176 Ca 0.54 0.08 -0.54 0.00 0.00 0.00 0.00 54.91 54.99 3lws h ALA 176 Cb 1.57 -0.07 -0.42 0.00 0.00 0.00 0.00 17.79 18.87 3lws h ALA 176 CO 1.22 -0.11 -0.81 0.54 0.00 0.00 0.00 179.25 180.09 3lws n ARG 177 N -4.77 3.35 -0.01 0.00 1.74 -1.26 -4.26 116.66 111.45 3lws n ARG 177 Ca 0.24 -4.25 -0.13 0.00 -0.77 0.00 0.00 57.85 52.94 3lws n ARG 177 Cb 0.61 -2.19 -0.10 0.00 -1.02 0.00 0.00 32.46 29.75 3lws n ARG 177 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3lws h LEU 178 N 2.40 -0.04 -1.56 0.55 5.85 -1.52 -3.24 115.31 117.76 3lws h LEU 178 Ca 0.30 -0.56 0.17 0.00 0.84 0.00 0.00 57.88 58.63 3lws h LEU 178 Cb 1.25 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.23 3lws h LEU 178 CO 0.76 0.56 0.55 -0.26 -0.34 0.00 0.00 178.44 179.71 3lws h PHE 179 N -0.66 0.50 0.00 1.25 0.04 -1.88 -3.12 116.94 113.07 3lws h PHE 179 Ca -0.00 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.78 3lws h PHE 179 Cb 0.60 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.59 3lws h PHE 179 CO 0.13 0.16 0.00 0.39 -0.60 0.00 0.00 178.31 178.39 3lws n GLU 180 N -4.49 0.37 0.00 1.51 4.71 -1.22 -4.52 120.64 117.00 3lws n GLU 180 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.32 3lws n GLU 180 Cb 0.61 -1.32 0.00 0.00 -1.01 0.00 0.00 31.44 29.72 3lws n GLU 180 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 3lws n LEU 182 N 1.12 0.00 -0.22 -4.62 4.77 -1.18 -4.32 117.00 112.54 3lws n LEU 182 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 3lws n LEU 182 Cb 0.18 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.33 3lws n LEU 182 CO 0.00 0.00 1.12 -0.65 -1.33 0.00 0.00 177.39 176.53 3lws h PRO 183 N 0.00 0.77 -0.45 3.23 0.11 -1.86 0.54 132.00 134.34 3lws h PRO 183 Ca 0.00 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.99 3lws h PRO 183 Cb 0.00 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 30.92 3lws h PRO 183 CO 0.00 0.51 -0.02 -0.92 -0.21 0.00 0.00 178.00 177.36 3lws h TYR 184 N 0.79 0.88 0.00 0.65 3.20 -1.84 -3.00 116.97 117.65 3lws h TYR 184 Ca 0.25 -0.16 -0.08 0.00 3.14 0.00 0.00 58.73 61.88 3lws h TYR 184 Cb -0.00 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.03 3lws h TYR 184 CO -0.05 0.86 -0.37 1.88 -1.64 0.00 0.00 178.16 178.84 3lws h TYR 185 N 0.65 0.00 -5.88 -3.82 0.05 -1.81 -3.47 116.97 102.69 3lws h TYR 185 Ca 0.12 0.00 -0.38 0.00 0.05 0.00 0.00 58.73 58.52 3lws h TYR 185 Cb 0.52 0.00 0.11 0.00 1.01 0.00 0.00 36.73 38.37 3lws h TYR 185 CO 0.04 0.37 -0.78 0.39 -1.05 0.00 0.00 178.16 177.13 3lws n GLU 186 N -3.43 -6.07 -4.06 4.88 1.02 0.19 -5.00 120.64 108.18 3lws n GLU 186 Ca 0.00 0.75 -0.09 0.00 -0.02 0.00 0.00 57.16 57.80 3lws n GLU 186 Cb 0.54 -5.59 -0.11 0.00 -0.02 0.00 0.00 31.44 26.27 3lws n GLU 186 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3lws s LYS 187 N -5.78 0.52 0.61 3.49 -0.14 -1.18 -5.09 119.74 112.17 3lws s LYS 187 Ca 0.11 -0.94 -0.14 0.00 -1.36 0.00 0.00 55.97 53.64 3lws s LYS 187 Cb -0.05 0.03 -0.03 0.00 -1.68 0.00 0.00 37.83 36.10 3lws s LYS 187 CO 0.77 -0.05 1.04 -0.08 -0.76 0.00 0.00 175.35 176.27 3lws s THR 188 N -2.58 4.12 0.27 2.17 -1.32 -1.26 -4.73 115.64 112.31 3lws s THR 188 Ca -0.03 0.88 -0.01 0.00 -1.21 0.00 0.00 61.69 61.32 3lws s THR 188 Cb -0.02 -3.51 0.25 0.00 -1.51 0.00 0.00 72.50 67.71 3lws s THR 188 CO -0.04 -0.71 1.80 0.00 -2.21 0.00 0.00 174.62 173.46 3lws h ALA 189 N 0.14 1.36 -0.05 11.08 0.00 -1.97 -1.92 119.26 127.90 3lws h ALA 189 Ca -0.46 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 3lws h ALA 189 Cb 1.21 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3lws h ALA 189 CO 0.59 0.09 -0.31 0.00 0.00 0.00 0.00 179.25 179.61 3lws h ALA 190 N 1.53 1.39 -0.11 0.00 0.00 -1.78 -0.96 119.26 119.33 3lws h ALA 190 Ca 0.46 -0.31 -0.21 0.00 0.00 0.00 0.00 54.91 54.86 3lws h ALA 190 Cb 0.52 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3lws h ALA 190 CO -0.29 0.44 -0.76 0.93 0.00 0.00 0.00 179.25 179.56 3lws h GLU 191 N 0.08 0.61 0.06 0.00 5.08 -1.68 0.15 114.58 118.87 3lws h GLU 191 Ca 0.01 -0.50 -0.00 0.00 -1.00 0.00 0.00 59.36 57.87 3lws h GLU 191 Cb 0.59 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.95 3lws h GLU 191 CO 0.04 1.12 -0.03 0.82 -1.00 0.00 0.00 179.01 179.97 3lws h ILE 192 N 0.41 1.25 -0.98 3.13 1.08 -1.37 -3.30 117.51 117.73 3lws h ILE 192 Ca -0.04 -1.17 0.06 0.00 -0.39 0.00 0.00 64.86 63.32 3lws h ILE 192 Cb 1.37 2.00 -0.06 0.00 -3.07 0.00 0.00 36.82 37.05 3lws h ILE 192 CO 0.15 0.29 0.64 0.00 -0.69 0.00 0.00 178.15 178.53 3lws h ALA 193 N 0.25 1.42 -0.68 1.87 0.00 -1.13 -2.25 119.26 118.74 3lws h ALA 193 Ca -0.01 -0.03 0.20 0.00 0.00 0.00 0.00 54.91 55.07 3lws h ALA 193 Cb 0.53 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3lws h ALA 193 CO 0.01 0.44 0.78 0.78 0.00 0.00 0.00 179.25 181.27 3lws h GLY 194 N 1.16 0.00 1.63 0.00 0.00 -0.78 0.43 103.07 105.51 3lws h GLY 194 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 3lws h GLY 194 CO -0.16 0.00 -0.01 1.04 0.00 0.00 0.00 176.54 177.41 3lws n LEU 195 N -3.49 0.02 -4.58 3.11 4.77 -0.85 -4.87 117.00 111.12 3lws n LEU 195 Ca 0.14 0.32 -0.29 0.00 -0.03 0.00 0.00 56.01 56.15 3lws n LEU 195 Cb 1.02 -0.33 -0.10 0.00 -2.33 0.00 0.00 43.42 41.69 3lws n LEU 195 CO 0.25 0.00 -0.41 -0.36 -1.33 0.00 0.00 177.39 175.55 3lws s PHE 196 N -2.67 2.73 0.13 -1.77 0.40 0.15 -4.73 117.98 112.23 3lws s PHE 196 Ca 0.25 -0.17 -0.12 0.00 -0.60 0.00 0.00 56.93 56.29 3lws s PHE 196 Cb 0.20 -1.40 -0.04 0.00 0.51 0.00 0.00 43.02 42.29 3lws s PHE 196 CO 0.48 0.45 1.49 -0.44 0.70 0.00 0.00 175.22 177.90 3lws h ASP 197 N 3.38 0.90 -5.14 1.36 3.32 -1.13 -3.47 116.42 115.65 3lws h ASP 197 Ca -0.48 -0.43 -0.11 0.00 0.02 0.00 0.00 57.03 56.03 3lws h ASP 197 Cb 1.18 -0.25 -0.16 0.00 0.22 0.00 0.00 39.33 40.32 3lws h ASP 197 CO 0.53 1.14 -0.50 -0.94 -1.72 0.00 0.00 179.24 177.75 3lws s SER 198 N -6.65 0.21 -0.05 6.45 1.04 -1.16 -4.35 113.70 109.20 3lws s SER 198 Ca -0.12 -0.65 -0.04 0.00 0.48 0.00 0.00 55.95 55.63 3lws s SER 198 Cb 0.11 0.26 0.01 0.00 0.10 0.00 0.00 66.02 66.50 3lws s SER 198 CO 0.85 -0.59 0.12 -0.63 0.98 0.00 0.00 173.24 173.97 3lws s ILE 199 N -3.23 -0.01 -0.18 -1.02 1.09 -0.57 -1.41 121.20 115.88 3lws s ILE 199 Ca 0.00 0.02 -0.03 0.00 -1.10 0.00 0.00 60.65 59.54 3lws s ILE 199 Cb 0.02 -0.17 -0.02 0.00 -1.06 0.00 0.00 42.46 41.23 3lws s ILE 199 CO -0.07 0.01 -0.05 -0.47 -0.10 0.00 0.00 174.94 174.26 3lws s TYR 200 N 0.20 2.96 0.12 3.97 5.04 -0.13 -1.17 117.35 128.34 3lws s TYR 200 Ca -0.01 -0.61 0.10 0.00 -2.44 0.00 0.00 57.07 54.12 3lws s TYR 200 Cb -0.02 -2.01 -0.04 0.00 0.35 0.00 0.00 41.96 40.24 3lws s TYR 200 CO -0.01 -0.28 -0.26 0.96 -1.34 0.00 0.00 175.55 174.62 3lws s ILE 201 N 0.86 2.17 0.14 3.14 -4.36 -0.39 -0.16 121.20 122.61 3lws s ILE 201 Ca -0.01 -1.70 0.06 0.00 -0.26 0.00 0.00 60.65 58.75 3lws s ILE 201 Cb -0.15 -1.92 -0.04 0.00 1.25 0.00 0.00 42.46 41.60 3lws s ILE 201 CO 0.01 0.09 -0.01 -0.55 0.24 0.00 0.00 174.94 174.73 3lws s SER 202 N -1.97 4.83 0.00 4.36 0.15 -1.26 -1.13 113.70 118.69 3lws s SER 202 Ca 0.13 -0.32 0.12 0.00 0.70 0.00 0.00 55.95 56.58 3lws s SER 202 Cb -0.10 -1.07 0.29 0.00 -1.71 0.00 0.00 66.02 63.43 3lws s SER 202 CO 0.05 0.12 1.20 0.49 1.20 0.00 0.00 173.24 176.31 3lws n PHE 203 N 0.18 0.40 -2.46 3.44 3.72 -0.64 -4.83 117.46 117.27 3lws n PHE 203 Ca -0.10 -0.39 -0.21 0.00 -0.05 0.00 0.00 57.45 56.70 3lws n PHE 203 Cb 0.54 -0.02 0.01 0.00 -0.94 0.00 0.00 39.48 39.07 3lws n PHE 203 CO 0.00 0.00 0.00 2.48 -0.05 0.00 0.00 176.76 179.19 3lws n TYR 204 N 0.64 2.64 -0.30 1.38 4.11 -1.26 -0.85 117.16 123.52 3lws n TYR 204 Ca 0.12 -2.80 0.23 0.00 -0.00 0.00 0.00 57.90 55.44 3lws n TYR 204 Cb 0.42 -0.21 0.35 0.00 -0.00 0.00 0.00 39.34 39.90 3lws n TYR 204 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3lws n GLY 206 N -0.45 -0.42 0.22 -7.48 0.00 -1.26 -4.20 105.19 91.59 3lws n GLY 206 Ca 0.31 0.31 0.14 0.00 0.00 0.00 0.00 46.02 46.78 3lws n GLY 206 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3lws h LEU 207 N 0.00 0.00 1.68 0.99 3.38 -1.88 -3.48 115.31 116.00 3lws h LEU 207 Ca 0.41 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 58.09 3lws h LEU 207 Cb 1.59 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.30 3lws h LEU 207 CO -0.04 0.00 -0.34 0.61 0.09 0.00 0.00 178.44 178.76 3lws n GLY 208 N 0.77 0.27 0.00 0.83 0.00 -1.26 -4.68 105.19 101.12 3lws n GLY 208 Ca 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3lws n GLY 208 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lws n GLY 209 N -1.07 -1.70 0.08 -0.02 0.00 -0.03 -4.96 105.19 97.49 3lws n GLY 209 Ca -0.17 -1.52 -0.08 0.00 0.00 0.00 0.00 46.02 44.25 3lws n GLY 209 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3lws n ILE 210 N -1.26 1.46 -3.83 -0.61 5.41 -1.26 -4.52 119.36 114.75 3lws n ILE 210 Ca 0.00 0.15 -0.07 0.00 1.00 0.00 0.00 62.75 63.83 3lws n ILE 210 Cb 0.00 -2.33 0.02 0.00 -0.71 0.00 0.00 39.64 36.62 3lws n ILE 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3lws s ALA 211 N -2.74 -1.03 0.00 -1.39 0.00 -1.26 -4.82 121.76 110.52 3lws s ALA 211 Ca -0.21 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.19 3lws s ALA 211 Cb 0.04 0.71 0.00 0.00 0.00 0.00 0.00 23.12 23.87 3lws s ALA 211 CO 0.32 -1.01 0.00 0.41 0.00 0.00 0.00 175.76 175.48 3lws n GLY 212 N -0.55 2.95 3.44 0.00 0.00 -1.20 -4.69 105.19 105.14 3lws n GLY 212 Ca -0.07 -1.98 -0.16 0.00 0.00 0.00 0.00 46.02 43.81 3lws n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lws s ALA 213 N -2.88 -1.48 -0.01 4.61 0.00 -0.35 -1.63 121.76 120.02 3lws s ALA 213 Ca 0.00 0.94 0.04 0.00 0.00 0.00 0.00 51.96 52.94 3lws s ALA 213 Cb 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.23 3lws s ALA 213 CO 0.00 -0.40 -0.12 0.42 0.00 0.00 0.00 175.76 175.66 3lws s ILE 214 N -1.60 3.25 -0.23 0.00 -1.09 -0.28 0.48 121.20 121.72 3lws s ILE 214 Ca -0.10 -0.83 0.02 0.00 -2.23 0.00 0.00 60.65 57.51 3lws s ILE 214 Cb -0.01 -2.35 0.05 0.00 -1.58 0.00 0.00 42.46 38.57 3lws s ILE 214 CO 0.05 0.47 -0.11 -0.22 -1.23 0.00 0.00 174.94 173.90 3lws s LEU 215 N -1.14 2.82 0.15 2.97 2.96 -0.21 -1.26 118.68 124.98 3lws s LEU 215 Ca 0.14 -1.13 0.09 0.00 -0.22 0.00 0.00 54.13 53.01 3lws s LEU 215 Cb -0.11 -1.39 -0.04 0.00 0.50 0.00 0.00 46.19 45.15 3lws s LEU 215 CO 0.04 -0.16 -0.15 0.00 -1.32 0.00 0.00 176.35 174.76 3lws s ALA 216 N 1.26 2.79 0.00 5.97 0.00 -0.32 -0.58 121.76 130.87 3lws s ALA 216 Ca -0.05 -1.42 0.00 0.00 0.00 0.00 0.00 51.96 50.49 3lws s ALA 216 Cb -0.18 -0.67 0.00 0.00 0.00 0.00 0.00 23.12 22.27 3lws s ALA 216 CO -0.07 0.53 0.00 0.41 0.00 0.00 0.00 175.76 176.63 3lws n GLY 217 N 0.44 -1.06 3.73 0.00 0.00 -0.81 -1.51 105.19 105.97 3lws n GLY 217 Ca -0.13 -0.84 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 3lws n GLY 217 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3lws s PRO 218 N -0.42 1.59 0.12 1.61 0.02 -1.26 -1.76 135.00 134.89 3lws s PRO 218 Ca 0.00 1.02 -0.21 0.00 0.02 0.00 0.00 61.00 61.83 3lws s PRO 218 Cb 0.00 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 32.65 3lws s PRO 218 CO 0.00 -2.07 1.70 0.00 -0.33 0.00 0.00 177.00 176.30 3lws h ALA 219 N -1.43 0.05 -0.48 -1.55 0.00 -1.93 -1.65 119.26 112.28 3lws h ALA 219 Ca -0.47 0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.37 3lws h ALA 219 Cb 1.26 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 3lws h ALA 219 CO 0.52 -0.52 -0.23 0.00 0.00 0.00 0.00 179.25 179.02 3lws h ALA 220 N 1.07 0.68 -0.26 0.00 0.00 -1.99 -0.63 119.26 118.13 3lws h ALA 220 Ca 0.08 -0.40 0.06 0.00 0.00 0.00 0.00 54.91 54.65 3lws h ALA 220 Cb 0.19 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 3lws h ALA 220 CO -0.19 0.68 -0.10 0.35 0.00 0.00 0.00 179.25 179.99 3lws h PHE 221 N 0.86 -0.24 -0.38 0.00 3.57 -1.91 -2.23 116.94 116.60 3lws h PHE 221 Ca 0.11 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.49 3lws h PHE 221 Cb 0.82 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.69 3lws h PHE 221 CO 0.05 -0.16 -0.34 0.00 -2.23 0.00 0.00 178.31 175.63 3lws h GLN 223 N 0.72 0.49 -0.38 0.00 4.20 -1.10 -1.33 115.11 117.70 3lws h GLN 223 Ca 0.07 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 3lws h GLN 223 Cb 0.90 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.55 3lws h GLN 223 CO 0.08 0.33 0.16 1.15 -0.67 0.00 0.00 178.83 179.88 3lws h THR 224 N 0.51 1.19 -0.83 -0.54 2.02 -0.95 -2.75 112.91 111.55 3lws h THR 224 Ca 0.27 -0.58 0.15 0.00 0.77 0.00 0.00 66.41 67.02 3lws h THR 224 Cb 0.23 0.86 -0.06 0.00 -1.74 0.00 0.00 68.15 67.44 3lws h THR 224 CO -0.21 0.21 0.55 0.00 0.37 0.00 0.00 175.52 176.43 3lws h ALA 225 N 1.00 1.99 -0.04 6.16 0.00 -0.61 -0.28 119.26 127.48 3lws h ALA 225 Ca 0.13 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 3lws h ALA 225 Cb 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3lws h ALA 225 CO -0.01 -0.22 -0.71 0.00 0.00 0.00 0.00 179.25 178.30 3lws h ARG 226 N 0.54 0.21 -0.37 0.00 3.08 -0.97 0.15 114.38 117.03 3lws h ARG 226 Ca 0.42 -0.18 -0.07 0.00 0.07 0.00 0.00 59.98 60.22 3lws h ARG 226 Cb 0.82 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 3lws h ARG 226 CO -0.16 0.84 -0.04 0.82 -1.07 0.00 0.00 179.97 180.35 3lws h ILE 227 N 0.14 1.27 -0.10 2.04 1.08 -0.91 -2.41 117.51 118.62 3lws h ILE 227 Ca -0.02 -1.07 -0.08 0.00 -0.39 0.00 0.00 64.86 63.30 3lws h ILE 227 Cb 1.27 1.22 -0.01 0.00 -3.07 0.00 0.00 36.82 36.22 3lws h ILE 227 CO 0.11 0.35 -0.32 -0.50 -0.69 0.00 0.00 178.15 177.11 3lws h TRP 228 N 0.48 0.22 -0.90 1.37 4.06 -0.99 -2.24 115.95 117.96 3lws h TRP 228 Ca 0.10 -0.05 0.03 0.00 2.06 0.00 0.00 58.89 61.03 3lws h TRP 228 Cb 0.52 -0.05 -0.05 0.00 -1.00 0.00 0.00 29.16 28.58 3lws h TRP 228 CO 0.04 0.50 0.59 -0.22 -3.56 0.00 0.00 178.44 175.79 3lws h LYS 229 N 0.17 1.12 -0.44 0.49 3.64 -0.50 -0.98 116.57 120.08 3lws h LYS 229 Ca 0.02 -0.07 -0.14 0.00 -1.27 0.00 0.00 60.65 59.19 3lws h LYS 229 Cb 0.65 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 3lws h LYS 229 CO 0.05 0.74 -0.28 -0.09 -2.27 0.00 0.00 179.45 177.60 3lws h ARG 230 N 1.16 0.95 -0.68 1.90 2.43 -0.91 -1.93 114.38 117.30 3lws h ARG 230 Ca 0.35 -0.44 0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3lws h ARG 230 Cb -0.03 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.47 3lws h ARG 230 CO -0.11 1.11 0.45 0.00 -1.51 0.00 0.00 179.97 179.91 3lws h ARG 231 N 0.81 0.88 0.00 0.20 3.08 -1.14 -2.75 114.38 115.46 3lws h ARG 231 Ca 0.09 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3lws h ARG 231 Cb 0.87 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.72 3lws h ARG 231 CO 0.08 0.58 0.00 0.66 -1.07 0.00 0.00 179.97 180.22 3lws n TYR 232 N -4.62 0.28 -2.15 3.04 4.02 -0.40 -4.89 117.16 112.44 3lws n TYR 232 Ca 0.06 0.11 -0.03 0.00 -0.01 0.00 0.00 57.90 58.04 3lws n TYR 232 Cb 0.03 -0.68 0.00 0.00 -0.02 0.00 0.00 39.34 38.67 3lws n TYR 232 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3lws n GLY 233 N -0.09 0.36 0.42 2.72 0.00 -1.04 -4.94 105.19 102.63 3lws n GLY 233 Ca 0.03 -0.74 0.07 0.00 0.00 0.00 0.00 46.02 45.37 3lws n GLY 233 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lws n GLY 234 N -0.94 -0.06 2.79 -0.02 0.00 -0.74 -4.72 105.19 101.50 3lws n GLY 234 Ca -0.02 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 3lws n GLY 234 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3lws n ASP 235 N 0.26 5.57 -4.78 1.61 2.03 -1.17 -4.61 116.55 115.46 3lws n ASP 235 Ca 0.07 -3.10 -0.34 0.00 0.52 0.00 0.00 54.79 51.93 3lws n ASP 235 Cb 0.31 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.26 3lws n ASP 235 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3lws s LEU 236 N -0.41 3.68 0.24 -2.67 1.02 -1.26 -4.79 118.68 114.50 3lws s LEU 236 Ca 0.42 2.08 -0.04 0.00 0.02 0.00 0.00 54.13 56.61 3lws s LEU 236 Cb 0.11 -4.57 0.43 0.00 0.02 0.00 0.00 46.19 42.18 3lws s LEU 236 CO -0.01 -1.22 1.77 -0.29 0.02 0.00 0.00 176.35 176.62 3lws h ILE 237 N 1.00 0.79 -3.26 -0.59 2.10 -1.94 -3.28 117.51 112.34 3lws h ILE 237 Ca -0.49 -0.21 -0.52 0.00 1.08 0.00 0.00 64.86 64.71 3lws h ILE 237 Cb 1.25 0.12 -0.40 0.00 -1.09 0.00 0.00 36.82 36.70 3lws h ILE 237 CO 0.57 0.11 -0.76 -0.44 -1.08 0.00 0.00 178.15 176.55 3lws s SER 238 N -5.47 3.03 -0.03 2.19 0.01 -1.26 -1.04 113.70 111.13 3lws s SER 238 Ca -0.12 -0.90 0.17 0.00 1.31 0.00 0.00 55.95 56.40 3lws s SER 238 Cb 0.20 -0.62 0.51 0.00 0.21 0.00 0.00 66.02 66.32 3lws s SER 238 CO 0.77 -0.32 1.43 0.18 0.41 0.00 0.00 173.24 175.71 3lws n LEU 239 N 5.03 3.65 0.24 2.44 4.77 -1.26 -4.68 117.00 127.20 3lws n LEU 239 Ca -0.08 -2.12 0.10 0.00 -0.03 0.00 0.00 56.01 53.87 3lws n LEU 239 Cb 0.47 -0.40 0.66 0.00 -2.33 0.00 0.00 43.42 41.82 3lws n LEU 239 CO 0.13 0.84 1.08 0.10 -1.33 0.00 0.00 177.39 178.21 3lws h TYR 240 N 3.20 0.00 -0.47 -1.77 -0.00 -1.93 -0.97 116.97 115.03 3lws h TYR 240 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 58.73 58.81 3lws h TYR 240 Cb 0.98 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.68 3lws h TYR 240 CO 0.42 0.00 0.32 -1.35 -0.00 0.00 0.00 178.16 177.56 3lws h PRO 241 N 0.00 0.31 0.06 0.10 0.11 -2.00 0.11 132.00 130.69 3lws h PRO 241 Ca 0.02 -0.02 -0.31 0.00 0.11 0.00 0.00 66.00 65.80 3lws h PRO 241 Cb 0.09 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 31.10 3lws h PRO 241 CO -0.00 0.21 -1.75 1.88 -0.21 0.00 0.00 178.00 178.12 3lws h TYR 242 N 0.32 0.22 -0.12 0.65 0.05 -1.68 -3.17 116.97 113.24 3lws h TYR 242 Ca 0.21 -0.16 -0.04 0.00 0.05 0.00 0.00 58.73 58.79 3lws h TYR 242 Cb 0.42 -0.01 -0.00 0.00 1.01 0.00 0.00 36.73 38.15 3lws h TYR 242 CO -0.00 1.31 -0.10 0.82 -1.05 0.00 0.00 178.16 179.14 3lws h ILE 243 N 0.03 1.34 -0.50 -2.88 2.04 -0.57 -0.06 117.51 116.92 3lws h ILE 243 Ca -0.31 -1.22 -0.08 0.00 1.00 0.00 0.00 64.86 64.25 3lws h ILE 243 Cb 2.01 1.89 -0.02 0.00 -0.74 0.00 0.00 36.82 39.97 3lws h ILE 243 CO 0.10 0.35 -0.00 0.58 0.00 0.00 0.00 178.15 179.17 3lws h VAL 244 N -0.11 1.26 -0.32 1.67 2.07 -1.00 -1.06 116.25 118.76 3lws h VAL 244 Ca 0.02 -1.08 -0.12 0.00 0.82 0.00 0.00 66.70 66.34 3lws h VAL 244 Cb 0.60 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 3lws h VAL 244 CO 0.02 0.38 -0.31 0.77 0.02 0.00 0.00 177.57 178.45 3lws h SER 245 N 0.74 0.71 -0.59 0.57 4.64 -1.57 -1.44 113.55 116.61 3lws h SER 245 Ca 0.14 -0.28 -0.02 0.00 -0.47 0.00 0.00 61.79 61.16 3lws h SER 245 Cb 0.52 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.39 3lws h SER 245 CO 0.03 0.97 0.31 0.00 -0.87 0.00 0.00 176.83 177.26 3lws h ALA 246 N 1.07 0.75 -0.24 5.18 0.00 -0.71 -2.44 119.26 122.88 3lws h ALA 246 Ca 0.07 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 3lws h ALA 246 Cb 0.82 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 3lws h ALA 246 CO 0.07 0.29 0.01 0.22 0.00 0.00 0.00 179.25 179.84 3lws h ASP 247 N 0.80 0.40 -0.80 0.00 3.58 -1.10 -1.80 116.42 117.51 3lws h ASP 247 Ca 0.20 -0.30 0.10 0.00 0.42 0.00 0.00 57.03 57.45 3lws h ASP 247 Cb 0.07 -0.11 -0.07 0.00 1.72 0.00 0.00 39.33 40.94 3lws h ASP 247 CO -0.03 0.60 0.44 0.22 -2.88 0.00 0.00 179.24 177.59 3lws h TYR 248 N 0.19 0.80 0.00 0.28 3.20 -1.13 -0.66 116.97 119.65 3lws h TYR 248 Ca 0.07 0.03 -0.15 0.00 3.14 0.00 0.00 58.73 61.82 3lws h TYR 248 Cb 0.39 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 3lws h TYR 248 CO 0.03 0.31 -0.87 1.88 -1.64 0.00 0.00 178.16 177.88 3lws h TYR 249 N 0.74 0.00 0.08 -3.82 0.05 -1.41 -0.73 116.97 111.87 3lws h TYR 249 Ca 0.39 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 59.17 3lws h TYR 249 Cb 0.38 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.12 3lws h TYR 249 CO -0.07 0.62 -0.04 -0.92 -1.05 0.00 0.00 178.16 176.70 3lws h TYR 250 N 0.00 -0.09 -0.46 4.88 3.20 -1.09 0.79 116.97 124.19 3lws h TYR 250 Ca -0.06 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.82 3lws h TYR 250 Cb 1.52 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 39.80 3lws h TYR 250 CO 0.00 0.21 0.31 0.93 -1.64 0.00 0.00 178.16 177.96 3lws h GLU 251 N -0.40 0.58 -0.19 1.82 4.39 -1.12 0.92 114.58 120.58 3lws h GLU 251 Ca -0.01 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.58 3lws h GLU 251 Cb 0.34 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 3lws h GLU 251 CO 0.02 0.39 -0.19 1.25 -1.16 0.00 0.00 179.01 179.32 3lws h LEU 252 N 0.60 0.49 -1.18 1.33 5.85 -0.80 -3.38 115.31 118.23 3lws h LEU 252 Ca 0.17 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 58.42 3lws h LEU 252 Cb -0.04 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.85 3lws h LEU 252 CO -0.04 0.87 -0.04 0.54 -0.34 0.00 0.00 178.44 179.43 3lws n ARG 253 N -4.47 0.60 -0.06 1.25 1.74 0.24 -4.68 116.66 111.29 3lws n ARG 253 Ca -0.05 -0.89 0.21 0.00 -0.77 0.00 0.00 57.85 56.35 3lws n ARG 253 Cb 0.39 -1.12 0.67 0.00 -1.02 0.00 0.00 32.46 31.38 3lws n ARG 253 CO 0.00 0.00 0.00 1.57 -1.52 0.00 0.00 177.63 177.68 3lws h LYS 254 N 1.44 0.05 -0.45 5.56 2.10 -1.00 -0.71 116.57 123.56 3lws h LYS 254 Ca 0.00 -0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 3lws h LYS 254 Cb 0.32 -0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 31.64 3lws h LYS 254 CO 0.00 0.03 0.01 -0.25 -2.00 0.00 0.00 179.45 177.24 3lws n ASP 255 N -4.37 4.98 -3.75 7.07 8.00 -1.26 -4.94 116.55 122.27 3lws n ASP 255 Ca 0.12 -2.98 -0.36 0.00 0.71 0.00 0.00 54.79 52.27 3lws n ASP 255 Cb 0.67 -0.63 -0.03 0.00 -0.02 0.00 0.00 41.12 41.11 3lws n ASP 255 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3lws n ARG 256 N 0.14 3.75 0.00 -1.24 1.74 -0.28 -4.76 116.66 116.00 3lws n ARG 256 Ca 0.26 -4.61 0.00 0.00 -0.77 0.00 0.00 57.85 52.72 3lws n ARG 256 Cb 1.08 -2.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.12 3lws n ARG 256 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3lws n GLY 258 N 1.06 0.00 0.21 -0.13 0.00 -1.26 -1.43 105.19 103.64 3lws n GLY 258 Ca 0.28 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.19 3lws n GLY 258 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3lws h GLN 259 N 0.00 0.70 -0.94 1.61 3.07 -1.99 -1.28 115.11 116.27 3lws h GLN 259 Ca 0.00 -0.28 0.10 0.00 0.09 0.00 0.00 58.65 58.57 3lws h GLN 259 Cb 0.00 -0.04 -0.07 0.00 0.08 0.00 0.00 27.48 27.45 3lws h GLN 259 CO 0.00 0.86 0.60 1.88 0.09 0.00 0.00 178.83 182.27 3lws h TYR 260 N 0.49 1.04 0.00 0.06 0.05 -1.59 0.26 116.97 117.28 3lws h TYR 260 Ca 0.09 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.90 3lws h TYR 260 Cb 0.61 -0.33 0.00 0.00 1.01 0.00 0.00 36.73 38.02 3lws h TYR 260 CO 0.05 0.46 -0.00 -0.92 -1.05 0.00 0.00 178.16 176.70 3lws h TYR 261 N 0.95 -0.00 -0.93 4.88 3.20 -1.75 -1.19 116.97 122.13 3lws h TYR 261 Ca 0.44 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.32 3lws h TYR 261 Cb 0.42 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.65 3lws h TYR 261 CO -0.00 0.31 0.61 0.93 -1.64 0.00 0.00 178.16 178.37 3lws h GLU 262 N -0.31 1.23 -0.45 1.82 4.39 -0.70 -1.34 114.58 119.22 3lws h GLU 262 Ca -0.00 -0.08 -0.12 0.00 0.34 0.00 0.00 59.36 59.50 3lws h GLU 262 Cb 0.31 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 3lws h GLU 262 CO 0.00 0.82 -0.21 1.96 -1.16 0.00 0.00 179.01 180.42 3lws h GLN 263 N 1.27 0.92 -0.66 2.33 4.20 -0.95 -1.91 115.11 120.31 3lws h GLN 263 Ca 0.34 -0.38 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 3lws h GLN 263 Cb -0.14 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.58 3lws h GLN 263 CO -0.07 1.04 0.36 0.00 -0.67 0.00 0.00 178.83 179.48 3lws h ALA 264 N 0.96 0.84 -0.46 3.87 0.00 -0.71 0.11 119.26 123.87 3lws h ALA 264 Ca 0.11 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 3lws h ALA 264 Cb 0.77 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3lws h ALA 264 CO 0.06 0.36 0.23 0.87 0.00 0.00 0.00 179.25 180.78 3lws h LYS 265 N 0.90 0.64 -0.20 0.00 1.57 -1.04 0.18 116.57 118.62 3lws h LYS 265 Ca 0.23 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.88 3lws h LYS 265 Cb 0.05 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 3lws h LYS 265 CO -0.04 0.49 -0.14 1.96 -0.57 0.00 0.00 179.45 181.16 3lws h GLN 266 N 0.65 0.45 -0.16 3.15 1.08 -0.44 -1.41 115.11 118.42 3lws h GLN 266 Ca 0.16 -0.21 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 3lws h GLN 266 Cb 0.05 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 3lws h GLN 266 CO -0.02 0.77 0.11 -0.07 -0.95 0.00 0.00 178.83 178.66 3lws h LEU 267 N 0.14 0.19 -0.21 1.46 3.38 -0.60 -2.17 115.31 117.50 3lws h LEU 267 Ca 0.04 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.00 3lws h LEU 267 Cb 0.65 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 3lws h LEU 267 CO 0.04 0.15 0.10 0.00 0.09 0.00 0.00 178.44 178.82 3lws h ALA 268 N 1.05 0.24 -0.91 1.53 0.00 -0.91 -0.63 119.26 119.62 3lws h ALA 268 Ca 0.06 0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.17 3lws h ALA 268 Cb -0.01 -0.03 -0.11 0.00 0.00 0.00 0.00 17.79 17.64 3lws h ALA 268 CO -0.01 -0.32 0.47 1.49 0.00 0.00 0.00 179.25 180.88 3lws h GLU 269 N 0.21 0.55 -0.30 0.00 4.81 -1.13 0.19 114.58 118.91 3lws h GLU 269 Ca 0.08 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.11 3lws h GLU 269 Cb 0.03 -0.12 -0.00 0.00 0.63 0.00 0.00 28.75 29.28 3lws h GLU 269 CO -0.06 0.36 -0.50 1.96 -0.73 0.00 0.00 179.01 180.04 3lws h GLN 270 N 0.56 0.84 -0.22 1.92 4.20 -0.68 -2.84 115.11 118.89 3lws h GLN 270 Ca 0.54 -0.50 -0.08 0.00 0.06 0.00 0.00 58.65 58.67 3lws h GLN 270 Cb 0.91 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.73 3lws h GLN 270 CO -0.44 1.14 -0.17 0.74 -0.67 0.00 0.00 178.83 179.43 3lws h PHE 271 N 0.66 0.59 0.00 2.96 0.04 -0.23 -2.99 116.94 117.97 3lws h PHE 271 Ca 0.03 -0.17 -0.00 0.00 2.80 0.00 0.00 57.97 60.63 3lws h PHE 271 Cb 1.09 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 39.11 3lws h PHE 271 CO 0.06 0.82 -0.01 -0.91 -0.60 0.00 0.00 178.31 177.68 3lws h ASN 272 N 0.20 0.00 0.69 2.17 2.35 -0.69 -1.82 115.58 118.47 3lws h ASN 272 Ca 0.04 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3lws h ASN 272 Cb 0.70 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.07 3lws h ASN 272 CO 0.04 0.01 -0.15 0.00 -1.65 0.00 0.00 177.43 175.68 3lws n ALA 273 N -2.13 2.75 -2.30 -0.83 0.00 -1.07 -4.80 120.51 112.12 3lws n ALA 273 Ca -0.03 -0.20 -0.40 0.00 0.00 0.00 0.00 53.44 52.81 3lws n ALA 273 Cb 0.10 -1.35 -0.05 0.00 0.00 0.00 0.00 19.45 18.15 3lws n ALA 273 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3lws s LEU 274 N -2.84 4.48 0.40 0.00 1.43 -0.68 -5.04 118.68 116.43 3lws s LEU 274 Ca 0.18 1.51 -0.25 0.00 -1.03 0.00 0.00 54.13 54.54 3lws s LEU 274 Cb 0.19 -3.26 -0.09 0.00 0.03 0.00 0.00 46.19 43.06 3lws s LEU 274 CO 0.55 0.05 1.12 -2.16 0.23 0.00 0.00 176.35 176.15 3lws s PRO 275 N -0.28 4.10 -0.33 1.29 0.04 -1.26 -2.74 135.00 135.82 3lws s PRO 275 Ca 0.38 1.71 0.00 0.00 0.04 0.00 0.00 61.00 63.14 3lws s PRO 275 Cb -0.21 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.69 3lws s PRO 275 CO 0.24 -0.24 0.00 0.41 0.04 0.00 0.00 177.00 177.45 3lws n GLY 276 N 0.55 0.57 3.13 0.56 0.00 -1.26 -4.92 105.19 103.83 3lws n GLY 276 Ca 0.04 -0.26 -0.21 0.00 0.00 0.00 0.00 46.02 45.60 3lws n GLY 276 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3lws s VAL 277 N -1.88 1.12 0.07 1.61 1.01 -1.11 -0.96 120.40 120.27 3lws s VAL 277 Ca 0.00 -0.87 -0.26 0.00 0.00 0.00 0.00 61.98 60.85 3lws s VAL 277 Cb 0.00 -0.99 0.07 0.00 0.00 0.00 0.00 36.38 35.46 3lws s VAL 277 CO 0.00 0.11 0.61 -1.38 0.00 0.00 0.00 175.10 174.44 3lws s HIS 278 N -0.68 -0.56 0.22 5.22 -3.43 -0.26 -4.50 115.29 111.30 3lws s HIS 278 Ca 0.03 0.63 0.09 0.00 -0.80 0.00 0.00 55.06 55.01 3lws s HIS 278 Cb -0.07 0.47 -0.04 0.00 -1.43 0.00 0.00 32.58 31.51 3lws s HIS 278 CO 0.01 -0.74 -0.04 0.95 -2.00 0.00 0.00 174.74 172.92 3lws s THR 279 N -2.67 3.38 -0.07 -5.38 -4.23 -1.26 0.20 115.64 105.61 3lws s THR 279 Ca -0.04 -1.76 0.01 0.00 -1.18 0.00 0.00 61.69 58.71 3lws s THR 279 Cb -0.01 -2.74 0.02 0.00 1.34 0.00 0.00 72.50 71.11 3lws s THR 279 CO -0.03 -0.24 -0.07 -0.89 -0.54 0.00 0.00 174.62 172.84 3lws s THR 280 N -2.03 0.81 0.85 3.99 2.01 -0.10 -3.32 115.64 117.86 3lws s THR 280 Ca 0.29 -0.23 -0.10 0.00 0.31 0.00 0.00 61.69 61.95 3lws s THR 280 Cb -0.08 -0.83 0.10 0.00 0.01 0.00 0.00 72.50 71.71 3lws s THR 280 CO 0.18 0.31 1.11 -2.16 -0.69 0.00 0.00 174.62 173.37 3lws s PRO 281 N 1.25 1.60 0.20 4.92 0.04 -1.26 -0.52 135.00 141.22 3lws s PRO 281 Ca -0.05 1.29 -0.11 0.00 0.04 0.00 0.00 61.00 62.17 3lws s PRO 281 Cb -0.14 -1.81 0.24 0.00 0.04 0.00 0.00 34.50 32.83 3lws s PRO 281 CO -0.02 -2.14 1.72 1.49 0.04 0.00 0.00 177.00 178.08 3lws h GLU 282 N -1.50 0.27 -4.85 4.56 4.81 -1.96 -3.35 114.58 112.55 3lws h GLU 282 Ca -0.44 -0.02 -0.67 0.00 -0.13 0.00 0.00 59.36 58.10 3lws h GLU 282 Cb 1.25 -0.06 -0.30 0.00 0.63 0.00 0.00 28.75 30.28 3lws h GLU 282 CO 0.47 0.18 -0.69 0.08 -0.73 0.00 0.00 179.01 178.32 3lws s VAL 283 N -6.12 3.34 0.55 0.32 1.01 -1.26 -4.77 120.40 113.47 3lws s VAL 283 Ca -0.13 -0.91 -0.19 0.00 0.00 0.00 0.00 61.98 60.75 3lws s VAL 283 Cb 0.16 -2.73 -0.08 0.00 0.00 0.00 0.00 36.38 33.73 3lws s VAL 283 CO 0.73 0.13 0.65 -2.65 0.00 0.00 0.00 175.10 173.96 3lws n PRO 284 N 4.75 0.66 -0.28 2.72 -0.02 -1.26 -4.90 135.00 136.67 3lws n PRO 284 Ca -0.15 0.25 0.07 0.00 -2.02 0.00 0.00 63.50 61.65 3lws n PRO 284 Cb 0.47 -1.80 0.20 0.00 -0.02 0.00 0.00 33.50 32.35 3lws n PRO 284 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 3lws n VAL 285 N -1.51 1.40 -2.07 -1.45 0.24 -1.26 -4.87 118.33 108.81 3lws n VAL 285 Ca 0.12 -1.25 0.00 0.00 -2.04 0.00 0.00 64.34 61.17 3lws n VAL 285 Cb 0.46 0.28 0.00 0.00 -1.47 0.00 0.00 33.84 33.10 3lws n VAL 285 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3lws n SER 286 N 0.32 0.00 -1.10 -1.34 3.41 -1.26 -4.53 113.62 109.12 3lws n SER 286 Ca 0.15 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.76 3lws n SER 286 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 3lws n SER 286 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3lws n ASN 287 N 0.00 2.85 0.00 4.04 6.94 -1.26 -4.52 115.26 123.30 3lws n ASN 287 Ca 0.00 -1.76 0.00 0.00 -0.02 0.00 0.00 54.58 52.80 3lws n ASN 287 Cb 0.00 -0.51 0.00 0.00 -2.36 0.00 0.00 39.78 36.91 3lws n ASN 287 CO 0.00 0.00 0.00 2.22 -1.03 0.00 0.00 177.26 178.45 3lws n PHE 289 N 0.76 0.00 -3.64 -2.53 -1.74 -0.69 0.61 117.46 110.23 3lws n PHE 289 Ca 0.00 0.00 -0.35 0.00 -0.56 0.00 0.00 57.45 56.54 3lws n PHE 289 Cb 0.42 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.36 3lws n PHE 289 CO 0.00 0.00 0.00 -1.01 -0.56 0.00 0.00 176.76 175.19 3lws s HIS 290 N -2.00 3.58 -0.13 2.97 3.76 0.32 -0.96 115.29 122.82 3lws s HIS 290 Ca 0.00 0.71 -0.00 0.00 -0.15 0.00 0.00 55.06 55.62 3lws s HIS 290 Cb 0.00 -2.10 -0.02 0.00 1.11 0.00 0.00 32.58 31.57 3lws s HIS 290 CO 0.00 0.55 -0.12 -1.17 -0.85 0.00 0.00 174.74 173.15 3lws s LEU 291 N -1.88 2.78 -0.06 0.89 2.96 0.65 -0.93 118.68 123.09 3lws s LEU 291 Ca 0.31 -0.30 0.04 0.00 -0.22 0.00 0.00 54.13 53.97 3lws s LEU 291 Cb -0.14 -1.63 -0.00 0.00 0.50 0.00 0.00 46.19 44.92 3lws s LEU 291 CO 0.18 0.17 -0.19 -1.00 -1.32 0.00 0.00 176.35 174.19 3lws s HIS 292 N 0.32 1.96 -0.08 5.38 3.76 0.13 -1.19 115.29 125.56 3lws s HIS 292 Ca -0.10 -0.65 0.03 0.00 -0.15 0.00 0.00 55.06 54.19 3lws s HIS 292 Cb -0.16 -1.33 -0.01 0.00 1.11 0.00 0.00 32.58 32.19 3lws s HIS 292 CO 0.05 -0.24 -0.18 -0.06 -0.85 0.00 0.00 174.74 173.46 3lws s PHE 293 N 0.17 2.64 0.50 1.40 0.40 0.07 -1.11 117.98 122.06 3lws s PHE 293 Ca -0.09 -0.59 -0.23 0.00 -0.60 0.00 0.00 56.93 55.42 3lws s PHE 293 Cb -0.14 -1.70 -0.07 0.00 0.51 0.00 0.00 43.02 41.62 3lws s PHE 293 CO 0.04 -0.14 1.34 -0.25 0.70 0.00 0.00 175.22 176.91 3lws n ASP 294 N 3.04 2.71 0.00 1.36 8.00 -0.13 -1.05 116.55 130.49 3lws n ASP 294 Ca -0.18 1.03 0.00 0.00 0.71 0.00 0.00 54.79 56.36 3lws n ASP 294 Cb 0.52 -1.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.07 3lws n ASP 294 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3lws n GLY 295 N 0.75 -0.07 3.74 0.44 0.00 -0.80 -4.80 105.19 104.45 3lws n GLY 295 Ca 0.08 -1.93 -0.23 0.00 0.00 0.00 0.00 46.02 43.94 3lws n GLY 295 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3lws s GLN 296 N -1.07 2.47 0.29 1.61 -1.52 -1.26 -2.76 119.66 117.42 3lws s GLN 296 Ca 0.00 -1.43 0.03 0.00 -1.95 0.00 0.00 55.36 52.01 3lws s GLN 296 Cb 0.00 -2.26 0.67 0.00 -0.22 0.00 0.00 33.01 31.20 3lws s GLN 296 CO 0.00 0.19 1.77 0.00 -0.25 0.00 0.00 175.29 177.00 3lws h ALA 297 N 1.57 1.52 -1.03 6.09 0.00 -1.91 0.19 119.26 125.69 3lws h ALA 297 Ca -0.44 0.09 0.27 0.00 0.00 0.00 0.00 54.91 54.82 3lws h ALA 297 Cb 1.25 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.91 3lws h ALA 297 CO 0.62 -0.07 0.69 0.00 0.00 0.00 0.00 179.25 180.48 3lws h ALA 298 N 1.62 2.42 0.00 0.00 0.00 -2.00 0.28 119.26 121.58 3lws h ALA 298 Ca 0.54 0.03 -0.24 0.00 0.00 0.00 0.00 54.91 55.24 3lws h ALA 298 Cb 0.82 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 3lws h ALA 298 CO -0.38 -0.79 -1.44 -0.25 0.00 0.00 0.00 179.25 176.39 3lws n ASP 299 N -4.51 1.88 -0.10 0.00 8.00 -0.08 -4.54 116.55 117.21 3lws n ASP 299 Ca 0.24 0.43 -0.12 0.00 0.71 0.00 0.00 54.79 56.05 3lws n ASP 299 Cb 0.92 -0.91 -0.04 0.00 -0.02 0.00 0.00 41.12 41.07 3lws n ASP 299 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 3lws h ILE 300 N -1.00 1.30 -0.84 0.53 1.08 -0.93 -3.31 117.51 114.34 3lws h ILE 300 Ca -0.37 -1.25 0.17 0.00 -0.39 0.00 0.00 64.86 63.03 3lws h ILE 300 Cb 1.25 1.50 -0.16 0.00 -3.07 0.00 0.00 36.82 36.34 3lws h ILE 300 CO -0.22 0.40 -0.18 -1.28 -0.69 0.00 0.00 178.15 176.18 3lws h SER 301 N 0.35 -0.72 0.59 1.72 0.87 -0.68 -0.44 113.55 115.23 3lws h SER 301 Ca 0.06 0.25 -0.05 0.00 -1.23 0.00 0.00 61.79 60.82 3lws h SER 301 Cb 0.67 0.50 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 3lws h SER 301 CO 0.04 -0.27 -0.24 -0.65 -0.53 0.00 0.00 176.83 175.18 3lws h PRO 302 N 0.01 0.00 -0.43 2.24 0.11 -1.78 0.24 132.00 132.38 3lws h PRO 302 Ca 0.42 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.43 3lws h PRO 302 Cb 0.66 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.75 3lws h PRO 302 CO -0.85 0.24 -0.10 0.87 -0.21 0.00 0.00 178.00 177.95 3lws h LYS 303 N 0.00 0.77 0.13 1.05 1.57 -1.23 -2.10 116.57 116.76 3lws h LYS 303 Ca -0.00 -0.25 -0.31 0.00 -1.87 0.00 0.00 60.65 58.22 3lws h LYS 303 Cb 0.60 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 3lws h LYS 303 CO 0.03 0.85 -1.54 -0.07 -0.57 0.00 0.00 179.45 178.14 3lws h LEU 304 N 0.70 0.42 -0.36 2.94 3.38 -1.04 -1.81 115.31 119.55 3lws h LEU 304 Ca 0.12 -0.58 -0.01 0.00 0.09 0.00 0.00 57.88 57.50 3lws h LEU 304 Cb 0.57 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3lws h LEU 304 CO 0.04 1.48 0.17 -0.33 0.09 0.00 0.00 178.44 179.89 3lws h GLU 305 N 0.07 0.51 -0.18 1.13 5.08 -0.60 -1.20 114.58 119.40 3lws h GLU 305 Ca -0.25 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.02 3lws h GLU 305 Cb 2.03 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 31.18 3lws h GLU 305 CO 0.17 0.46 0.04 0.37 -1.00 0.00 0.00 179.01 179.05 3lws h GLN 306 N 0.44 0.29 -0.49 2.33 4.15 -1.41 0.23 115.11 120.65 3lws h GLN 306 Ca 0.12 -0.07 0.10 0.00 0.77 0.00 0.00 58.65 59.57 3lws h GLN 306 Cb 0.12 -0.04 -0.09 0.00 0.21 0.00 0.00 27.48 27.69 3lws h GLN 306 CO -0.02 0.43 -0.05 0.28 -1.93 0.00 0.00 178.83 177.55 3lws h VAL 307 N 0.09 0.57 -0.31 2.39 2.07 -1.33 -0.82 116.25 118.90 3lws h VAL 307 Ca 0.05 -0.02 -0.13 0.00 0.82 0.00 0.00 66.70 67.42 3lws h VAL 307 Cb 0.28 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 3lws h VAL 307 CO 0.00 0.01 -0.35 1.56 0.02 0.00 0.00 177.57 178.81 3lws h GLN 308 N 0.06 0.70 -0.46 1.57 4.20 -0.93 0.85 115.11 121.10 3lws h GLN 308 Ca 0.24 -0.34 -0.03 0.00 0.06 0.00 0.00 58.65 58.59 3lws h GLN 308 Cb 0.37 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 3lws h GLN 308 CO -0.45 0.95 0.18 0.93 -0.67 0.00 0.00 178.83 179.76 3lws h GLU 309 N 0.58 0.69 0.03 1.46 5.08 -0.35 -1.42 114.58 120.66 3lws h GLU 309 Ca 0.06 -0.13 -0.24 0.00 -1.00 0.00 0.00 59.36 58.05 3lws h GLU 309 Cb 0.88 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.02 3lws h GLU 309 CO 0.08 0.64 -1.01 0.93 -1.00 0.00 0.00 179.01 178.64 3lws h GLU 310 N 0.60 0.41 0.00 2.33 5.08 -0.91 -3.36 114.58 118.72 3lws h GLU 310 Ca 0.15 -0.48 -0.28 0.00 -1.00 0.00 0.00 59.36 57.76 3lws h GLU 310 Cb 0.21 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 29.55 3lws h GLU 310 CO -0.01 1.15 -2.07 0.25 -1.00 0.00 0.00 179.01 177.33 3lws n THR 311 N -3.72 1.22 -1.12 1.13 -2.24 0.27 -4.98 114.28 104.85 3lws n THR 311 Ca -0.07 -0.78 -0.04 0.00 -2.27 0.00 0.00 64.05 60.89 3lws n THR 311 Cb 0.88 -0.55 -0.02 0.00 -2.10 0.00 0.00 70.33 68.54 3lws n THR 311 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3lws n GLY 312 N 1.60 0.64 3.48 3.38 0.00 -0.54 -4.96 105.19 108.79 3lws n GLY 312 Ca -0.23 -0.26 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 3lws n GLY 312 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3lws s LEU 313 N -0.95 3.39 -0.23 0.99 2.96 -1.26 -0.58 118.68 122.99 3lws s LEU 313 Ca 0.00 -0.16 -0.20 0.00 -0.22 0.00 0.00 54.13 53.55 3lws s LEU 313 Cb 0.00 -1.87 -0.02 0.00 0.50 0.00 0.00 46.19 44.80 3lws s LEU 313 CO 0.00 0.06 0.63 -0.83 -1.32 0.00 0.00 176.35 174.89 3lws s GLY 314 N 1.04 1.89 -0.22 7.98 0.00 0.30 -4.51 107.32 113.80 3lws s GLY 314 Ca 0.03 -0.38 -0.09 0.00 0.00 0.00 0.00 44.72 44.28 3lws s GLY 314 CO 0.02 1.39 -0.27 0.69 0.00 0.00 0.00 173.10 174.93 3lws n PHE 315 N 5.47 0.00 -4.11 1.90 3.01 -1.26 -1.36 117.46 121.11 3lws n PHE 315 Ca -0.01 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.23 3lws n PHE 315 Cb 0.49 -0.80 -0.17 0.00 -0.01 0.00 0.00 39.48 38.99 3lws n PHE 315 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3lws s VAL 316 N -2.41 0.61 -0.06 -4.37 1.01 -1.26 -4.80 120.40 109.12 3lws s VAL 316 Ca -0.31 -0.13 0.21 0.00 0.00 0.00 0.00 61.98 61.76 3lws s VAL 316 Cb 0.11 -0.65 -0.32 0.00 0.00 0.00 0.00 36.38 35.53 3lws s VAL 316 CO 0.41 0.26 0.45 0.61 0.00 0.00 0.00 175.10 176.83 3lws n GLY 317 N 4.31 -1.02 3.47 4.51 0.00 -1.26 -4.66 105.19 110.54 3lws n GLY 317 Ca -0.20 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.24 3lws n GLY 317 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3lws s TYR 318 N -3.38 -0.00 0.03 1.61 1.13 -1.26 -2.99 117.35 112.48 3lws s TYR 318 Ca -0.08 -0.35 -0.00 0.00 -1.41 0.00 0.00 57.07 55.23 3lws s TYR 318 Cb 0.13 0.28 -0.03 0.00 -1.10 0.00 0.00 41.96 41.24 3lws s TYR 318 CO 0.90 -0.86 -0.04 -0.51 -2.51 0.00 0.00 175.55 172.53 3lws s LEU 319 N -2.89 2.32 -0.04 -3.49 1.43 -1.26 -4.60 118.68 110.15 3lws s LEU 319 Ca 0.11 -0.65 0.05 0.00 -1.03 0.00 0.00 54.13 52.60 3lws s LEU 319 Cb 0.00 0.10 -0.01 0.00 0.03 0.00 0.00 46.19 46.31 3lws s LEU 319 CO -0.03 -0.38 -0.18 -0.69 0.23 0.00 0.00 176.35 175.31 3lws s VAL 320 N -2.17 1.45 -0.01 -1.59 1.01 0.10 -4.91 120.40 114.30 3lws s VAL 320 Ca -0.09 -0.75 -0.19 0.00 0.00 0.00 0.00 61.98 60.96 3lws s VAL 320 Cb -0.05 -1.24 -0.05 0.00 0.00 0.00 0.00 36.38 35.04 3lws s VAL 320 CO -0.03 0.42 0.55 -1.81 0.00 0.00 0.00 175.10 174.22 3lws s ASP 321 N -0.10 6.93 0.16 3.32 1.01 -1.26 -0.98 116.67 125.75 3lws s ASP 321 Ca -0.01 1.10 0.01 0.00 0.71 0.00 0.00 52.55 54.36 3lws s ASP 321 Cb -0.10 -2.34 -0.00 0.00 1.01 0.00 0.00 42.92 41.49 3lws s ASP 321 CO 0.01 0.15 0.03 0.29 0.21 0.00 0.00 175.17 175.87 3lws n LYS 322 N 2.55 1.08 -2.50 8.23 4.76 0.40 -4.98 118.16 127.70 3lws n LYS 322 Ca -0.09 -1.29 -0.40 0.00 -2.87 0.00 0.00 58.31 53.67 3lws n LYS 322 Cb 0.51 0.57 -0.03 0.00 -1.84 0.00 0.00 35.03 34.24 3lws n LYS 322 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3lws s ASP 323 N -1.95 6.24 0.00 4.39 2.15 -1.26 -3.55 116.67 122.69 3lws s ASP 323 Ca 0.05 -0.94 0.00 0.00 0.43 0.00 0.00 52.55 52.09 3lws s ASP 323 Cb 0.00 -2.56 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 3lws s ASP 323 CO 0.03 -1.75 0.00 0.61 -0.17 0.00 0.00 175.17 173.90 3lws n GLY 324 N 6.25 0.77 3.70 2.66 0.00 -1.26 -5.03 105.19 112.27 3lws n GLY 324 Ca 0.21 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.15 3lws n GLY 324 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3lws s TYR 325 N -2.20 0.05 -0.01 1.61 1.13 -1.16 -1.90 117.35 114.87 3lws s TYR 325 Ca 0.00 -0.45 -0.04 0.00 -1.41 0.00 0.00 57.07 55.17 3lws s TYR 325 Cb 0.00 0.45 -0.00 0.00 -1.10 0.00 0.00 41.96 41.31 3lws s TYR 325 CO 0.00 -1.09 0.08 0.00 -2.51 0.00 0.00 175.55 172.03 3lws s SER 327 N -0.77 1.91 0.18 0.00 0.01 -0.15 -0.75 113.70 114.13 3lws s SER 327 Ca -0.09 -0.91 -0.08 0.00 1.31 0.00 0.00 55.95 56.18 3lws s SER 327 Cb -0.05 -0.04 -0.01 0.00 0.21 0.00 0.00 66.02 66.12 3lws s SER 327 CO 0.00 -0.24 0.29 0.28 0.41 0.00 0.00 173.24 173.99 3lws s THR 328 N -2.74 0.05 -0.14 1.44 -1.32 -0.34 -0.72 115.64 111.87 3lws s THR 328 Ca 0.13 -1.49 -0.04 0.00 -1.21 0.00 0.00 61.69 59.09 3lws s THR 328 Cb -0.01 -2.00 -0.03 0.00 -1.51 0.00 0.00 72.50 68.95 3lws s THR 328 CO 0.02 -0.21 -0.01 -0.70 -2.21 0.00 0.00 174.62 171.51 3lws s GLU 329 N -4.00 3.55 -0.10 7.08 2.12 -1.26 -0.25 118.70 125.83 3lws s GLU 329 Ca 0.21 -0.46 -0.01 0.00 0.36 0.00 0.00 54.97 55.07 3lws s GLU 329 Cb 0.03 -2.93 -0.03 0.00 0.26 0.00 0.00 34.13 31.46 3lws s GLU 329 CO 0.03 0.36 -0.06 0.42 -0.54 0.00 0.00 175.26 175.47 3lws s ILE 330 N 0.06 3.70 -0.09 -3.70 -1.09 -0.14 -4.97 121.20 114.96 3lws s ILE 330 Ca 0.01 -0.46 -0.00 0.00 -2.23 0.00 0.00 60.65 57.97 3lws s ILE 330 Cb -0.13 -2.55 0.02 0.00 -1.58 0.00 0.00 42.46 38.22 3lws s ILE 330 CO 0.02 0.56 -0.06 -0.44 -1.23 0.00 0.00 174.94 173.79 3lws s SER 331 N -0.29 1.91 0.10 3.58 0.01 -1.26 -1.71 113.70 116.05 3lws s SER 331 Ca 0.04 -0.24 -0.27 0.00 1.31 0.00 0.00 55.95 56.80 3lws s SER 331 Cb -0.13 -0.72 -0.06 0.00 0.21 0.00 0.00 66.02 65.33 3lws s SER 331 CO 0.02 -0.12 0.83 -0.69 0.41 0.00 0.00 173.24 173.70 3lws s VAL 332 N 1.63 4.56 0.00 3.43 1.01 0.20 -0.39 120.40 130.84 3lws s VAL 332 Ca 0.02 1.80 0.00 0.00 0.00 0.00 0.00 61.98 63.80 3lws s VAL 332 Cb -0.13 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.06 3lws s VAL 332 CO -0.06 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.04 3lws n GLY 333 N 2.14 5.64 0.31 4.51 0.00 -1.20 -4.78 105.19 111.81 3lws n GLY 333 Ca -0.02 -1.47 0.13 0.00 0.00 0.00 0.00 46.02 44.67 3lws n GLY 333 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3lws h ASP 334 N 0.00 0.00 -0.62 1.61 3.32 -1.87 -3.19 116.42 115.67 3lws h ASP 334 Ca 0.00 0.00 0.05 0.00 0.02 0.00 0.00 57.03 57.10 3lws h ASP 334 Cb 0.00 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 3lws h ASP 334 CO 0.00 0.00 0.34 0.00 -1.72 0.00 0.00 179.24 177.86 3lws h ALA 335 N 1.88 0.81 -0.63 3.45 0.00 -1.49 -1.77 119.26 121.51 3lws h ALA 335 Ca 0.10 0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.14 3lws h ALA 335 Cb 0.42 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.00 3lws h ALA 335 CO -0.00 0.03 0.15 -0.92 0.00 0.00 0.00 179.25 178.51 3lws h TYR 336 N 0.65 0.23 0.00 0.00 3.20 -1.50 -1.22 116.97 118.34 3lws h TYR 336 Ca 0.27 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.18 3lws h TYR 336 Cb 0.14 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.40 3lws h TYR 336 CO -0.08 -0.03 0.00 0.78 -1.64 0.00 0.00 178.16 177.19 3lws h GLY 337 N 0.28 0.00 1.39 1.82 0.00 -1.51 -2.20 103.07 102.84 3lws h GLY 337 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.66 3lws h GLY 337 CO -0.41 0.00 -0.32 1.18 0.00 0.00 0.00 176.54 176.99 3lws n GLU 338 N -2.86 0.03 -3.38 4.80 1.02 -0.47 -4.69 120.64 115.08 3lws n GLU 338 Ca 0.00 0.01 -0.35 0.00 -0.02 0.00 0.00 57.16 56.80 3lws n GLU 338 Cb 0.25 -1.52 -0.06 0.00 -0.02 0.00 0.00 31.44 30.09 3lws n GLU 338 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3lws s LEU 339 N -3.12 4.34 0.47 -4.62 1.43 -0.83 -5.09 118.68 111.25 3lws s LEU 339 Ca 0.12 1.04 -0.02 0.00 -1.03 0.00 0.00 54.13 54.24 3lws s LEU 339 Cb 0.18 -3.24 -0.01 0.00 0.03 0.00 0.00 46.19 43.15 3lws s LEU 339 CO 0.64 0.11 0.71 1.51 0.23 0.00 0.00 176.35 179.55 3lws s ASP 340 N -1.73 5.91 0.23 2.29 1.47 -1.26 -4.92 116.67 118.66 3lws s ASP 340 Ca 0.37 0.48 -0.07 0.00 1.18 0.00 0.00 52.55 54.51 3lws s ASP 340 Cb -0.15 -1.74 0.38 0.00 -0.34 0.00 0.00 42.92 41.07 3lws s ASP 340 CO 0.19 -0.69 1.73 -0.61 0.68 0.00 0.00 175.17 176.46 3lws h GLN 341 N 0.32 0.38 -0.46 2.11 5.75 -1.96 -1.47 115.11 119.77 3lws h GLN 341 Ca -0.47 -0.02 -0.08 0.00 -0.15 0.00 0.00 58.65 57.93 3lws h GLN 341 Cb 1.24 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.69 3lws h GLN 341 CO 0.59 0.25 -0.06 1.96 -2.65 0.00 0.00 178.83 178.92 3lws h GLN 342 N 0.39 0.80 -0.08 1.69 7.50 -1.98 0.12 115.11 123.55 3lws h GLN 342 Ca 0.37 -0.24 -0.02 0.00 0.50 0.00 0.00 58.65 59.26 3lws h GLN 342 Cb 0.53 -0.08 -0.00 0.00 0.05 0.00 0.00 27.48 27.98 3lws h GLN 342 CO -0.38 0.84 -0.01 1.15 -1.50 0.00 0.00 178.83 178.93 3lws h THR 343 N 0.74 1.28 -0.28 -0.54 2.02 -1.75 0.16 112.91 114.53 3lws h THR 343 Ca 0.13 -0.90 0.04 0.00 0.77 0.00 0.00 66.41 66.45 3lws h THR 343 Cb 0.53 1.73 -0.04 0.00 -1.74 0.00 0.00 68.15 68.62 3lws h THR 343 CO 0.03 0.25 0.03 0.03 0.37 0.00 0.00 175.52 176.23 3lws h ARG 344 N -0.17 0.12 -0.23 6.66 3.08 -1.01 0.26 114.38 123.09 3lws h ARG 344 Ca 0.02 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.10 3lws h ARG 344 Cb 0.40 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.39 3lws h ARG 344 CO 0.01 0.08 -0.02 -0.44 -1.07 0.00 0.00 179.97 178.53 3lws h ASP 345 N 0.12 -0.13 -0.39 7.04 3.32 -0.64 -0.90 116.42 124.84 3lws h ASP 345 Ca 0.13 0.06 0.08 0.00 0.02 0.00 0.00 57.03 57.32 3lws h ASP 345 Cb 0.16 0.11 -0.07 0.00 0.22 0.00 0.00 39.33 39.75 3lws h ASP 345 CO -0.20 -0.04 -0.07 0.00 -1.72 0.00 0.00 179.24 177.21 3lws h ALA 346 N 1.21 0.30 -0.77 3.45 0.00 -0.21 -1.77 119.26 121.45 3lws h ALA 346 Ca 0.11 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 3lws h ALA 346 Cb 0.15 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3lws h ALA 346 CO -0.20 -0.44 0.45 0.78 0.00 0.00 0.00 179.25 179.85 3lws h GLY 347 N 0.03 1.13 1.62 0.00 0.00 -0.24 -2.45 103.07 103.17 3lws h GLY 347 Ca 0.19 -0.48 -0.07 0.00 0.00 0.00 0.00 47.33 46.97 3lws h GLY 347 CO -0.38 0.47 -0.14 0.74 0.00 0.00 0.00 176.54 177.23 3lws h PHE 348 N 1.06 0.49 0.00 5.60 0.04 -0.86 0.52 116.94 123.79 3lws h PHE 348 Ca 0.28 -0.07 -0.05 0.00 2.80 0.00 0.00 57.97 60.92 3lws h PHE 348 Cb -0.02 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 37.99 3lws h PHE 348 CO -0.00 0.58 -0.22 0.00 -0.60 0.00 0.00 178.31 178.06 3lws h ALA 349 N 1.44 1.26 0.10 2.45 0.00 -0.90 0.20 119.26 123.81 3lws h ALA 349 Ca 0.08 -0.20 -0.31 0.00 0.00 0.00 0.00 54.91 54.47 3lws h ALA 349 Cb 0.49 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3lws h ALA 349 CO 0.03 0.28 -1.64 -0.09 0.00 0.00 0.00 179.25 177.83 3lws h ARG 350 N 0.00 0.22 -0.02 0.00 9.65 -0.98 -2.92 114.38 120.33 3lws h ARG 350 Ca -0.00 -0.37 0.02 0.00 -1.10 0.00 0.00 59.98 58.53 3lws h ARG 350 Cb 0.53 0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 29.22 3lws h ARG 350 CO 0.03 1.05 -0.12 1.25 2.80 0.00 0.00 179.97 184.97 3lws h LEU 351 N 0.06 -0.36 -0.51 3.80 5.85 -0.80 -2.93 115.31 120.41 3lws h LEU 351 Ca -0.28 0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.59 3lws h LEU 351 Cb 2.02 0.16 -0.08 0.00 0.37 0.00 0.00 40.66 43.13 3lws h LEU 351 CO 0.14 -0.17 0.03 -0.09 -0.34 0.00 0.00 178.44 178.00 3lws h ARG 352 N -0.20 0.14 -0.17 1.25 2.43 -0.68 0.18 114.38 117.34 3lws h ARG 352 Ca 0.05 -0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.26 3lws h ARG 352 Cb 0.27 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 3lws h ARG 352 CO -0.14 0.10 0.20 1.96 -1.51 0.00 0.00 179.97 180.57 3lws h GLN 353 N 0.15 0.00 -0.13 0.20 4.20 -1.43 0.63 115.11 118.74 3lws h GLN 353 Ca 0.26 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.77 3lws h GLN 353 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 3lws h GLN 353 CO -0.41 0.00 -0.75 0.00 -0.67 0.00 0.00 178.83 177.00 3lws h ALA 354 N 1.77 0.43 0.00 3.87 0.00 -0.48 -3.51 119.26 121.34 3lws h ALA 354 Ca 0.08 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3lws h ALA 354 Cb 0.47 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3lws h ALA 354 CO -0.00 0.72 0.00 1.19 0.00 0.00 0.00 179.25 181.16